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Version .0 20 TINKER Software Tools for Molecular Design

TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

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Page 1: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

Version 6.0 October 2011

TINKERSoftware Tools for Molecular Design

Page 2: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

TINKER

Software Tools for Molecular Design

Version 6.0

October 2011

Copyright © 1990-2011 by Jay William Ponder All Rights Reserved

Page 3: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

2 TINKER User's Guide 2

Copyright © 1990-2011 by Jay William Ponder All Rights Reserved User's Guide Cover Illustration by Jay Nelson Courtesy of Prof. R. T. Paine, Univ. of New Mexico TINKER IS PROVIDED "AS IS" AND WITHOUT ANY WARRANTY EXPRESS OR IMPLIED. THE USER ASSUMES ALL RISKS OF USING THIS SOFTWARE. THERE IS NO CLAIM OF THE MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE. YOU MAY MAKE COPIES OF TINKER FOR YOUR OWN USE, AND MODIFY THOSE COPIES. YOU MAY NOT DISTRIBUTE ANY MODIFIED SOURCE CODE OR DOCUMENTATION TO USERS AT ANY SITE OTHER THAN YOUR OWN. PLEASE SIGN AND RETURN THE TINKER LICENSE AGREEMENT IF YOU MAKE USE OF THIS SOFTWARE. V6.0 10/11

Page 4: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

3 TINKER User's Guide 3

TINKER

Software Tools for Molecular Design

Version 6.0 October 2011

Table of Contents Page 1. Introduction to the Software 5 2. Installation on your Computer 7 3. Types of Input & Output Files 10 4. Potential Energy Programs 13 5. Additional Utility Programs & Scripts 19 6. Special Features & Methods 23 7. Use of the Keyword Control File 29 8. Force Field Parameter Sets 61 9. Descriptions of Source Routines 69 10. Descriptions of Global Variables 139 11. Index of Function & Subroutine Calls 167 12. Test Cases & Examples 196 13. Benchmark Results 198 14. Collaborators & Acknowledgments 202 15. References & Suggested Reading 204

Page 5: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

4 "#$%&' ()*+,) -./0* 4

Page 6: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

5 "#$%&' ()*+,) -./0* 5

12 #34+50.64/53 45 47* 8594:;+* <7;4 /) 47* "#$%&' 8594:;+*=

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

>*;4.+*) ;30 ?;@;A/B/4/*)

*)# :#24#: &= '1D&2 72&621': 45%$03#3 45 ()# 34:(24;0(4&5 :<:(#' 7#2=&2' ()# =&$$&?456 %&2# (1:8:E

FGH ;04$3456 72&(#45 153 50%$#4% 1%43 '&3#$: =2&' :#I0#5%# FJH #5#26< '454'4K1(4&5 153 :(20%(021$ &7(4'4K1(4&5 FLH 151$<:4: &= #5#26< 34:(24;0(4&5 ?4()45 1 :(20%(02# FMH '&$#%0$12 3<51'4%: 153 :(&%)1:(4% 3<51'4%: FNH :4'0$1(#3 155#1$456 ?4() 1 %)&4%# &= %&&$456 :%)#30$#: FOH 5&2'1$ '&3#: 153 B4;21(4&51$ =2#I0#5%4#: FPH %&5=&2'1(4&51$ :#12%) 153 6$&;1$ &7(4'4K1(4&5 FQH (215:4(4&5 :(1(# $&%1(4&5 153 %&5=&2'1(4&51$ 71()?1<: FRH =4((456 &= #5#26< 7121'#(#2: (& %2<:(1$ 31(1

FGSH 34:(15%# 6#&'#(2< ?4() 7142?4:# '#(24K1(4&5 FGGH '&$#%0$12 B&$0'#: 153 :02=1%# 12#1: FGJH =2## #5#26< %)156#: =&2 :(20%(021$ '0(1(4&5: FGLH 13B15%#3 1$6&24()': ;1:#3 &5 7&(#5(41$ :'&&()456

T15< &= ()# B124&0: #5#26< '454'4K1(4&5 153 '&$#%0$12 3<51'4%: %&'70(1(4&5: %15 ;# 7#2=&2'#3&5 =0$$ &2 712(41$ :(20%(02#:C &B#2 U12(#:415C 45(#251$ &2 24643 ;&3< %&&23451(#:C 153 45%$03456 1 B124#(<&= ;&05312< %&534(4&5: 153 %2<:(1$ %#$$ (<7#:A V()#2 72&621': 12# 1B14$1;$# (& 6#5#21(# (4'456 31(1153 1$$&? %)#%8456 &= 7&(#5(41$ =05%(4&5 3#24B1(4B#: =&2 %&3456 #22&2:A W7#%41$ =#1(02#: 12# 1B14$1;$#(& =1%4$4(1(# 4570( 153 &0(70( &= 72&(#45 153 50%$#4% 1%43 :(20%(02#:A X&?#B#2C ()# ;1:4% %&2# 2&0(45#:)1B# 5& 85&?$#36# &= ;4&7&$<'#2 :(20%(02# 153 %15 ;# 0:#3 =&2 6#5#21$ '&$#%0$12 :<:(#':A Y0# (& 4(: #'7)1:4: &5 #1:# &= '&34=4%1(4&5C *+,-./ 34==#2: =2&' '15< &()#2 %022#5($< 1B14$1;$#'&$#%0$12 '&3#$456 71%816#: 45 ()1( ()# 0:#2 4: #>7#%(#3 (& ;# ?4$$456 (& ?24(# :4'7$# ZZ=2&5(@#53[[72&621': 153 '18# :&'# 1$(#21(4&5: 1( ()# :&02%# %&3# $#B#$A *)# '145 72&621': 72&B43#3 :)&0$3;# %&5:43#2#3 1: (#'7$1(#: =&2 ()# 0:#2: (& %)156# 1%%&23456 (& ()#42 ?4:)#:A \$$ :0;2&0(45#: 12#45(#251$$< 3&%0'#5(#3 153 :(20%(02#3 72&621''456 721%(4%#: 12# 13)#2#3 (& ()2&06)&0(A *)# 2#:0$(C4( 4: )&7#3C ?4$$ ;# 1 %1$%0$1(4&51$ :<:(#' ?)4%) %15 ;# (14$&2#3 (& $&%1$ 5##3: 153 3#:42#:A *)# %&2# *+,-./ :<:(#' %&5:4:(: &= 5#12$< GLNCSSS $45#: &= :&02%# ?24((#5 #5(42#$< 45 1 7&2(1;$#]&2(215PP :07#2:#(A ^:# 4: '13# &= &5$< :&'# B#2< %&''&5 #>(#5:4&5: ()1( 143 45 ?24(456 )46)$<:(20%(02#3 %&3#A *)# %022#5( B#2:4&5 &= ()# 71%816# )1: ;##5 7&2(#3 (& 1 ?43# 2156# &= %&'70(#2:?4() 5& &2 #>(2#'#$< '454'1$ %)156#:A *#:(#3 :<:(#': 45%$03#E /#3 X1( _450>C T4%2&:&=( "453&?:R`a,*aJSSSa`bC \77$# VWR 153 VW`C XbaU&'71IaY.U \$7)1: 053#2 *20OM ^54> 153 V7#5cTWCX#?$#((@b1%8123C +dTC W4$4%&5 e217)4%: 153 W05 ?&28:(1(4&5: 053#2 #1%) B#53&2[: ^54>A \( 72#:#5(C&02 5#? %&3# 4: ?24((#5 &5 B124&0: _450> 7$1(=&2':C 153 &%%1:4&51$$< (#:(#3 =&2 %&'71(4;4$4(< &5

Page 7: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

6 "#$%&' ()*+,) -./0* 6

B124&0: &= ()# &()#2 '1%)45# 153 VW %&';451(4&5: $4:(#3 1;&B#A \( 72#:#5(C ?# 12# 45 ()# 72&%#:: &=%&5B#2(456 &02 724'12< 3#B#$&7'#5( #==&2(: =2&' ]&2(215PP (& 1 '&2# '&3#25 ]&2(215 341$#%(A \'1%)45#@(215:$1(#3 U B#2:4&5 &= *+,-./ 4: %022#5($< 1B14$1;$#C 153 1 )153@(215:$1(#3 &7(4'4K#3 UB#2:4&5 &= 1 72#B4&0: *+,-./ 2#$#1:# 4: 1B14$1;$# =&2 45:7#%(4&5A U&5B#2:4&5 (& U &2 Uff 4: 053#2%&5:43#21(4&5C ;0( 5&( ;#456 1%(4B#$< 702:0#3 1( ()4: (4'#A *)# ;1:4% 3#:465 &= ()# #5#26< =05%(4&5 #5645# 0:#3 ;< ()# *+,-./ :<:(#' 1$$&?: 0:16# &= :#B#21$34==#2#5( 7121'#(#2 :#(:A \( 72#:#5( ?# 12# 34:(24;0(456 7121'#(#2: ()1( 4'7$#'#5( \Td./ ==RM 153==ROC UX\/TTGR 153 JPC TTJC TTLC Vb_W@^\C Vb_W@\\C _41' Y156[: 7&$124K1;$# 7&(#5(41$:C 153 &02&?5 \TV.d\ F\(&'4% T0$(47&$# V7(4'4K#3 .5#26#(4%: =&2 d4&'&$#%0$12 \77$4%1(4&5:H 7121'#(#2:A +5'&:( %1:#:C ()# :&02%# %&3# :#7121(#: ()# 6#&'#(24% '15470$1(4&5: 5##3#3 =&2 #5#26< 3#24B1(4B#:=2&' ()# 1%(01$ =&2' &= ()# #5#26< =05%(4&5 4(:#$=A W#B#21$ &()#2 $4(#21(02# 7121'#(#2 :#(: 12# ;#456%&5:43#2#3 =&2 7&::4;$# =0(02# 3#B#$&7'#5( F.,U\YC TT]]@RMC TTMC ^]]C !"#$%C 153 '15< &= ()#1$(#251(4B# 7&(#5(41$ =05%(4&5 =&2': 2#7&2(#3 45 ()# $4(#21(02# %15 ;# 4'7$#'#5(#3 342#%($< &2 1=(#2'45&2 %&3# %)156#:A T0%) &= ()# :&=(?12# 45 ()# *+,-./ 71%816# )1: ;##5 )#1B4$< 0:#3 153 ?#$$ (#:(#3C ;0( :&'#'&30$#: 12# :(4$$ 45 1 =142$< #12$< :(16# &= 3#B#$&7'#5(A ]02()#2 ?&28 &5 ()# *+,-./ :<:(#' 4:7$155#3 45 ()2## '145 12#1:E FGH #>(#5:4&5 153 4'72&B#'#5( &= ()# 7&(#5(41$ #5#26< 7121'#(#2:45%$03456 1334(4&51$ 7121'#(#24K1(4&5 153 (#:(456 &= &02 7&$124K1;$# '0$(47&$# \TV.d\ =&2%# =4#$3CFJH %&3456 &= 5#? %&'70(1(4&51$ 1$6&24()': 45%$03456 1334(4&51$ '#()&3: =&2 =2## #5#26<3#(#2'451(4&5C (&2:4&51$ T&5(# U12$& 153 '&$#%0$12 3<51'4%: :1'7$456C 13B15%#3 '#()&3: =&2 $&562156# 45(#21%(4&5:C ;#((#2 (215:4(4&5 :(1(# $&%1(4&5C 153 =02()#2 177$4%1(4&5 &= ()# 7&(#5(41$ :'&&()4567121346'C 153 FLH =02()#2 3#B#$&7'#5( &= ]&2%# ]4#$3 .>7$&2#2C 1 g1B1@;1:#3 e^+ =2&5(@#53 (& ()#*+,-./ 72&621': ()1( 72&B43#: =&2 %1$%0$1(4&5 :#(07C $105%) 153 %&5(2&$ 1: ?#$$ 1: ;1:4% '&$#%0$12B4:01$4K1(4&5A

?534;64 #395+C;4/53 h0#:(4&5: 153 %&''#5(: 2#6123456 ()# *+,-./ 71%816#C 45%$03456 :066#:(4&5: =&2 4'72&B#'#5(:153 %)156#: :)&0$3 ;# '13# (& ()# 10()&2E

b2&=#::&2 g1< "4$$41' b&53#2 Y#712('#5( &= U)#'4:(2<C d&> GGLM "1:)456(&5 ^54B#2:4(< 45 W145( _&04: V5# d2&&8456: X1$$ W145( _&04:C TV OLGLS ^AWA\A

&==4%#E _&03#2'15 X1$$C /&&' MNL 7)&5#E FLGMH RLN@MJPN =1>E FLGMH RLN@MMQG #'14$E 7&53#2i31:)#2A?0:($A#30

+5 1334(4&5C 15 +5(#25#( ?#; :4(# %&5(145456 15 &5$45# B#2:4&5 &= ()4: ^:#2[: e043#C ()# '&:( 2#%#5(34:(24;0(4&5 B#2:4&5 &= ()# =0$$ *+,-./ 71%816# 153 &()#2 0:#=0$ 45=&2'1(4&5 %15 ;# =&053 1(http://dasher.wustl.edu/tinkerC ()# X&'# b16# =&2 ()# *+,-./ T&$#%0$12 T&3#$456b1%816#A

Page 8: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

7 "#$%&' ()*+,) -./0* 7

D2 #3)4;BB;4/53 53 E5.+ [email protected]*+ How to Obtain a Copy of TINKER *)# *+,-./ 71%816# 4: 34:(24;0(#3 &5 ()# +5(#25#( B41 #4()#2 ()# ?#; :4(# &2 ()# 15&5<'&0: =(71%%&05( &5 dasher.wustl.edu ?4() 15 +b 50';#2 &= GJQAJNJAJSQAMQA *)4: 5&3# 4: 1 ?#; 153 =4$#:#2B#2 $&%1(#3 45 ()# b&53#2 $1; 1( "1:)456(&5 ^54B#2:4(< W%)&&$ &= T#34%45#A *)# 71%816# 4:1B14$1;$# B41 ()# ?#; 153 :(153123 ;2&?:#2: =2&' ()# *+,-./ )&'# 716# 1(http://dasher.wustl.edu/tinker/A \$(#251(4B#$< *+,-./ %15 ;# 3&?5$&13#3 ;< $&6645645(& dasher.wustl.edu B41 15&5<'&0: =(7 F^:#251'#E anonymousC b1::?&23E Fyour email addressFH 153 3&?5$&13456 ()# :&=(?12# =2&' ()# a70;a(458#2 :0;342#%(&2<A *)# %&'7$#(# *+,-./34:(24;0(4&5: 1: ?#$$ 1: 4534B4301$ =4$#: %15 ;# 3&?5$&13#3 =2&' ()4: :4(#A *)# #1:4#:( ?1< (& 6#( *+,-./ 2055456 &5 <&02 '1%)45# 4: (& 0:# ()# :#$=@#>(21%(456 45:(1$$1(4&5 84(=&2 #4()#2 _450>C "453&?:C &2 T1%45(&:) VW ` GSALA *)# 45:(1$$#2 ?4$$ 6043# <&0 ()2&06) %&'7$#(#:#(07 &= *+,-./ 153 ()# ]&2%# ]4#$3 .>7$&2#2 F]].H e^+C 153 7#2=&2' 1$$ 2#I042#3 %&5=46021(4&5%)&2#:A *)# 45:(1$$#2 84(: =&2 ()# ()2## :077&2(#3 :<:(#': 12# tinker4.2-linux.shCtinker4.2-windows.exe 153 tinker4.2-macosx.sitA *)# _450> 153 "453&?: 84(: #1%)%&5(145 1 724B1(# %&7< &= 1 g1B1 153 g1B1LY 205@(4'# #5B42&5'#5( =&2 0:# ?4() ()# 71%816#A *)#T1%45(&:) B#2:4&5 2#I042#: 15 VW ` GSAL Fb15()#2H :<:(#' =&2 45:(1$$1(4&5A *)# 51(4B# g1B14'7$#'#5(1(4&5 4: 0:#3 &5 T1%:C 153 ()# g1B1LY 71%816# '0:( ;# 3&?5$&13#3 =2&' \77$# 15345:(1$$#3 724&2 (& 0:456 *+,-./ ?4() ]&2%# ]4#$3 .>7$&2#2A

G+*A./B4 "#$%&' &H*6.4;AB*) *)# *+,-./ 71%816# 4: 1$:& 1B14$1;$# 1: %&'72#::#3 ^54> (12 12%)4B#:C "453&?: K47 =4$#:C 153 1: 1%&'7$#(# :#( &= 05%&'72#::#3 :&02%# 153 31(1 =4$#:A d45124#: 12# 72&B43#3 =&2 '1%)45#: 2055456"453&?: R`aT.a,*aJSSSa`bC _450>C 153 \77$# T1% VW `A \$$ &= ()#:# #>#%0(1;$#: 12# 72#:#5( 45:(153123 %&'72#::#3 =&2'1(: 1: 4534B4301$ 72&621': &2 1: %&'7$#(# :#(: &= #>#%0(1;$#:A +( 4:#>7#%(#3 ()1( &()#2 ^54> 0:#2: 153 bU 0:#2: ?)& 5##3 :7#%41$$< %0:(&'4K#3 B#2:4&5:C ?4$$ ;04$3;45124#: =&2 ()#42 :7#%4=4% :<:(#'A W4(#: ?4() 1%%#:: (& ()# ^54> (12C %&'72#:: 153 05%&'72#::%&''153: :)&0$3 :4'7$< &;(145 ()# 12%)4B# =4$# tinker.tar.ZA \$(#251(4B#$<C tinker.tar.gz153 tinker.zip %&5(145456 43#5(4%1$ 34:(24;0(4&5: %&'72#::#3 (& e,^ 6K47 153 "453&?: j+b=&2'1( 12# 1$:& 72&B43#3A += <&0 %)&&:# (& 3&?5$&13 4534B4301$ =4$#:C <&0 ?4$$ 5##3 1( 1 '454'0' ()#%&5(#5(: &= ()# a3&%C a:&02%# 153 a7121': :0;342#%(&24#:A \$:& 2#I042#3 12# ()# %&'74$#a;04$3:%247(: =2&' ()# :0;342#%(&2< 51'#3 =&2 <&02 '1%)45# (<7#A V()#2 12#1: %&5(145 (#:( %1:#: 153#>1'7$#:C ;#5%)'128 2#:0$(:C '1%)45#@(215:$1(#3 U %&3#C 153 ()# ]&2%# ]4#$3 .>7$&2#2 g1B1 e^+ =&2*+,-./A *)# #5(42# *+,-./ 71%816#C 1=(#2 ;04$3456 ()# #>#%0(1;$#:C ?4$$ 2#I042# =2&' 1;&0( MS (&&B#2 GNS '#61;<(#: &= 34:8 :71%# 3#7#53456 &5 ()# %&'7&5#5(: 45:(1$$#3 153 ()# 0:# &= :)12#3$4;2124#: 45 ()# #>#%0(1;$#:A Building your Own Executables

*)# %&'74$1(4&5 153 ;04$3456 &= ()# *+,-./ #>#%0(1;$#: :)&0$3 ;# #1:< =&2 '&:( &= ()# %&''&5?&28:(1(4&5 153 bU %$1:: %&'70(#2:A "# 72&B43# 45 ()# a'18# 12#1 1 ^54>@:(<$# T18#=4$# ()1( ?4():&'# '&34=4%1(4&5 %15 ;# 0:#3 (& ;04$3 *+,-./ &5 '&:( ^54> '1%)45#:A \: 1 :4'7$#2 1$(#251(4B# (&T18#=4$#: =&2 ()# ^54> B#2:4&5:C ?# 1$:& 72&B43# '1%)45#@:7#%4=4% 342#%(&24#: ?4() ()2## :#7121(#:)#$$ :%247(: (& %&'74$# ()# :&02%#C ;04$3 15 &;D#%( $4;212<C 153 $458 ;4512< #>#%0(1;$#:A *)2## :4'4$12%&''153 =4$#: 12# 72&B43#3 =&2 "453&?:C T1%45(&:) 153 V7#5 cTW :<:(#':A U&'74$1(4&5 &5 ^54>?&28:(1(4&5: :)&0$3 0:# ()# B#53&2 :077$4#3 ]&2(215 %&'74$#2C 4= 1B14$1;$#A *)# 70;$4% 3&'145 e,^

Page 9: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

8 "#$%&' ()*+,) -./0* 8

6PP ]&2(215 %&'74$#2 1B14$1;$# =2&' http://gcc.gnu.org/ 4: 1$:& %171;$# &= ;04$3456 *+,-./&5 _450> 153 &()#2 ^54>@;1:#3 '1%)45#:A *)# _450> #>#%0(1;$#: ?# 72&B43# 12# ;04$( ?4() ()# +5(#$]&2(215 =&2 _450> QAS %&'74$#2A *)# b&2($153 e2&07 Fbe+H 153 \;:&=( b2&]&2(215 %&'74$#2: )1B# 1$:&;##5 (#:(#3 053#2 _450>C ;&() &= ?)4%) 6#5#21(# #>#%0(1;$#: 2&06)$< %&'7121;$# 45 :7##3 (& ()#+5(#$ %&'74$#2A V5 _450>C ()# 6PP #>#%0(1;$#: (#53 (& #>)4;4( 3#6213#3 7#2=&2'15%# %&'712#3 ?4()#>#%0(1;$#: =2&' %&''#2%41$ %&'74$#2:A W&'# ;#5%)'128 2#:0$(: 12# 72&B43#3 45 1 $1(#2 :#%(4&5 &=()4: ^:#2[: e043# ]&2 ()# T1%45(&:) ?# 34:(24;0(# #>#%0(1;$#: ;04$( 053#2 \77$# VW ` GSAL ?4() ()#e,^ 6PP %&'74$#2A *+,-./ 1$:& ;04$3: &5 ()# T1%45(&:) 0:456 ()# \;:&=( b2&]&2(215 %&'74$#2A ]&2bU: 2055456 "453&?: R`a,*aJSSSa`bC ()# 34:(24;0(#3 *+,-./ #>#%0(1;$#: 12# ;04$( 053#2 ()# +5(#$]&2(215 =&2 "453&?: QAS %&'74$#2A \$(#251(4B# "453&?: %&'74$#2: :0%) 1: U&'71I c4:01$ ]&2(215C_1)#<a]0D4(:0 153 *)# b&2($153 e2&07 %&'74$#2:C 153 e,^ 6PP 053#2 U<6?45 )1B# ;##5 (#:(#3 153:)&?5 (& ;04$3 *+,-./ %&22#%($<A b$#1:# :## ()# /.\YT. =4$#: 45 #1%) &= ()# '1%)45#@:7#%4=4% 12#1:=&2 =02()#2 45=&2'1(4&5A

*)# =42:( :(#7 45 ;04$3456 *+,-./ 0:456 ()# :%247( =4$#: 4: (& 205 ()# 1772&7241(#compile.make :%247( =&2 <&02 &7#21(456 :<:(#' 153 %&'74$#2 B#2:4&5A ,#>( <&0 '0:( 0:# 1library.make :%247( (& %2#1(# 15 12%)4B# &= &;D#%( %&3# '&30$#:A ]451$$<C 205 1 link.make :%247((& 72&30%# ()# %&'7$#(# :#( &= *+,-./ #>#%0(1;$#:A *)# #>#%0(1;$#: %15 ;# 2#51'#3 153 '&B#3 (&?)#2#B#2 <&0 $48# ;< #34(456 153 2055456 ()# ZZ2#51'#[[ :%247(A *)#:# :(#7: ?4$$ 72&30%# #>#%0(1;$#:()1( %15 205 =2&' ()# %&''153 $45#C ;0( ?4()&0( ()# %171;4$4(< (& 45(#21%( ?4() ()# ]]. e^+A d04$3456]].@#51;$#3 *+,-./ #>#%0(1;$#: 45B&$B#: 2#7$1%456 ()# sockets.f :&02%# =4$# ?4() :&%8#(:A%C 15345%$03#3 ()# &;D#%( =2&' ()# U %&3# 45 ()# *+,-./ &;D#%( $4;212<A *)#5 #>#%0(1;$#: '0:( ;# $458#316145:( g1B1 $4;2124#: 45 1334(4&5 (& ()# 0:01$ 2#:&02%#:A W1'7$# compgui.make 153linkgui.make :%247(: 12# 72&B43#3 =&2 :<:(#': %171;$# &= ;04$3456 e^+@#51;$#3 #>#%0(1;$#:A

/#6123$#:: &= <&02 (126#( '1%)45#C &5$< 1 =#? :'1$$ 74#%#: &= %&3# %15 7&::4;$< 2#I042#1((#5(4&5 724&2 (& ;04$3456A *)# =42:( (?& 12# ()# :<:(#' 3#7#53#5( (4'# 153 31(# 2&0(45#: =&053 45clock.f 153 calendar.f 2#:7#%(4B#$<A ,#>( 4: ()# openend.f 2&0(45# ()1( =1%4$4(1(#: 177#5345631(1 (& ()# #53 &= 15 #>4:(456 34:8 =4$#A b$#1:# 05%&''#5( ()# :#%(4&5: &= ()#:# 2&0(45#: 5##3#3 =&2<&02 %&'70(#2 (<7#A c#2:4&5 &= ()#:# :<:(#' 3#7#53#5( 2&0(45#: :04(1;$# =&2 #1%) :<:(#' 12# 1$:&72&B43#3 45 ()# 342#%(&2< =&2 #1%) '1%)45#aVW (<7#A *)# =451$ :#( &= 7&::4;$# :&02%# 1$(#21(4&5: 12# (&()# '1:(#2 1221< 34'#5:4&5: =&053 45 ()# 45%$03# =4$# sizes.iA *)# '&:( ;1:4% $4'4( 4: &5 ()#50';#2 &= 1(&': 1$$&?#3C ZZ'1>1('[[A *)4: 7121'#(#2 %15 ;# :#( (& GSSSS &2 '&2# &5 '&:(?&28:(1(4&5:A b#2:&51$ %&'70(#2: ?4() '454'1$ '#'&2< '1< 5##3 1 $&?#2 $4'4(C 7#2)17: GSSS1(&':C 3#7#53456 &5 1B14$1;$# '#'&2<C :?17 :71%# 153 &()#2 2#:&02%#:A \ 3#:%247(4&5 &= ()# &()#27121'#(#2 B1$0#: 4: %&5(145#3 45 ()# )#13#2 &= ()# =4$#A ,&(# ()1( 45 &23#2 (& 8##7 ()# %&3# %&'7$#(#$<(215:712#5(C *+,-./ 3&#: 5&( 4'7$#'#5( 15< :&2( &= 3<51'4% '#'&2< 1$$&%1(4&5 &2 )#17 31(1:(20%(02#A *)4: 2#I042#: ()1( sizes.i 34'#5:4&5456 B1$0#: ;# :#( 1( $#1:( 1: $126# 1: ()# ;466#:(72&;$#' <&0 45(#53 (& 205A V;B4&0:$<C <&0 :)&0$3 5&( :#( ()# 1221< :4K#: (& 055#%#::124$< $126#B1$0#:C :45%# ()4: %15 (1> <&02 %&'70(# 2#:&02%#: 153 '1< 2#:0$( 45 7#2=&2'15%# 3#62131(4&5 &2&B#2( =14$02# &= ()# #>#%0(1;$#:A

I56.C*34;4/53 ;30 J47*+ #395+C;4/53 *)# 3&%0'#5(1(4&5 =&2 ()# *+,-./ 72&621':C 45%$03456 ()# 6043# <&0 12# %022#5($< 2#13456C 4:$&%1(#3 45 ()# a70;a(458#2a3&% :0;342#%(&2<A *)# 3&%0'#5(1(4&5 ?1: 72#712#3 0:456 ()# \77$4>?12#"&23: 153 e217)4%: 72&621':A b&2(1;$# B#2:4&5: &= ()# 3&%0'#5(1(4&5 12# 72&B43#3 1: 1:%44 (#>( 45.txt =4$#: 153 45 \3&;# \%2&;1( .pdf =4$# =&2'1(:A b$#1:# 2#13 153 2#(025 ;< '14$ ()# *+,-./$4%#5:#A +5 712(4%0$12C ?# 5&(# ()1( *+,-./ 4: 5&( ZZV7#5 W&02%#[[ 1: 0:#2: 12# 72&)4;4(#3 =2&'2#34:(24;0(4&5 &= &246451$ &2 '&34=4#3 *+,-./ :&02%# %&3# &2 ;45124#: (& &()#2 712(4#:A ")4$# &0245(#5( 4: (& 34:(24;0(# ()# *+,-./ %&3# (& 15<&5# ?)& ?15(: 4(C ()# b&53#2 _1; ?&0$3 $48# (& 2#'145()# :&$# 34:(24;0(4&5 :4(# 153 8##7 (21%8 &= 2#:#12%)#2: 0:456 ()# 71%816#A *)# 2#(025#3 $4%#5:# =&2':

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9 "#$%&' ()*+,) -./0* 9

1$:& )#$7 0: D0:(4=< =02()#2 3#B#$&7'#5( &= *+,-./A ")#5 5#? '&30$#: 153 %171;4$4(4#: ;#%&'#1B14$1;$#C 153 ?)#5 ()# 1$'&:( 45#B4(1;$# ;06: 12# 05%&B#2#3C ?# ?4$$ 1((#'7( (& 5&(4=< ()&:# ?)&)1B# 2#(025#3 1 $4%#5:# =&2'A ]451$$<C ?# 2#'453 <&0 ()1( ()4: :&=(?12# 4: %&7<246)(#3C 153 1:8 ()1( 4(5&( ;# 2#34:(24;0(#3 45 15< =&2'A

<7*+* 45 I/+*64 K.*)4/53) W7#%4=4% I0#:(4&5: 1;&0( ()# ;04$3456 &2 0:# &= ()# *+,-./ 71%816# :)&0$3 ;# 342#%(#3 (&[email protected] *+,-./ 2#$1(#3 I0#:(4&5: &2 %&''#5(: &= '&2# 6#5#21$ 45(#2#:(%15 ;# :#5( (& ()# U&'70(1(4&51$ U)#'4:(2< _4:( Fhttp://www.ccl.net/H 205 ;< g15 _1;15&?:841( ()# ^54B#2:4(< &= ,&(2# Y1'#A *)# *+,-./ 3#B#$&7#2: '&54(&2 ()4: $4:( 153 ?4$$ 2#:7&53 (& ()# $4:(&2 ()# 4534B4301$ 7&:(#2 1: 1772&7241(#A

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10 "#$%&' ()*+,) -./0* 10

L2 "E@*) 59 #[email protected] M [email protected] >/B*) *)4: :#%(4&5 3#:%24;#: ()# ;1:4% =4$# (<7#: 0:#3 ;< ()# *+,-./ 71%816#A _#([: :1< <&0 ?4:) (& 7#2=&2'1 %1$%0$1(4&5 &5 1 712(4%0$12 :'1$$ &26154% '&$#%0$#A \::0'# ()1( ()# =4$# 51'# %)&:#5 =&2 &02 4570(153 &0(70( =4$#: 4: sampleA *)#5 1$$ &= ()# *+,-./ =4$#: ?4$$ 2#:43# &5 ()# %&'70(#2 053#2 ()# 51'#sample.xxx ?)#2# .xxx 4: 15< &= ()# :#B#21$ #>(#5:4&5 (<7#: (& ;# 3#:%24;#3 ;#$&?A 8NOGP&2QRS *)# .xyz =4$# 4: ()# ;1:4% *+,-./ U12(#:415 %&&23451(#: =4$# (<7#A +( %&5(145: 1 (4($# $45# =&$$&?#3 ;<&5# $45# =&2 #1%) 1(&' 45 ()# :(20%(02#A .1%) $45# %&5(145:E ()# :#I0#5(41$ 50';#2 ?4()45 ()#:(20%(02#C 15 1(&'4% :<';&$ &2 51'#C `@C k@C 153 j@%&&23451(#:C ()# =&2%# =4#$3 1(&' (<7# 50';#2 &=()# 1(&'C 153 1 $4:( &= ()# 1(&': %&55#%(#3 (& ()# %022#5( 1(&'A .>%#7( =&2 72&621': ?)&:# ;1:4%&7#21(4&5 4: 45 (&2:4&51$ :71%#C 1$$ *+,-./ %1$%0$1(4&5: 12# 3&5# =2&' :&'# B#2:4&5 &= ()# .xyz=&2'1(A 8NOGP&2#$" *)# .int =4$# %&5(145: 15 45(#251$ %&&23451(#: 2#72#:#5(1(4&5 &= ()# '&$#%0$12 :(20%(02#A +( %&5:4:(:&= 1 (4($# $45# =&$$&?#3 ;< &5# $45# =&2 #1%) 1(&' 45 ()# :(20%(02#A .1%) $45# %&5(145:E ()# :#I0#5(41$50';#2 ?4()45 ()# :(20%(02#C 15 1(&'4% :<';&$ &2 51'#C ()# =&2%# =4#$3 1(&' (<7# 50';#2 &= ()#1(&'C 153 45(#251$ %&&23451(#: 45 ()# 0:01$ j@'1(24> =&2'1(A ]&2 #1%) 1(&' ()# 45(#251$ %&&23451(#:%&5:4:( &= 1 34:(15%# (& :&'# 72#B4&0:$< 3#=45#3 1(&'C 153 #4()#2 (?& ;&53 156$#: &2 1 ;&53 156$#153 1 34)#321$ 156$# (& 72#B4&0: 1(&':A *)# $#56()C 156$# 153 34)#321$ 3#=454(4&5: 3& 5&( )1B# (&2#72#:#5( 2#1$ ;&53#3 45(#21%(4&5:A ]&$$&?456 ()# $1:( 1(&' 3#=454(4&5 12# (?& &7(4&51$ ;$158 $45#:#7121(#3 :#(: &= 1(&' 50';#2 7142:A *)# =42:( $4:( %&5(145: 7142: &= 1(&': ()1( 12# %&B1$#5($< ;&53#3C;0( ?)&:# ;&53 $#56() ?1: 5&( 0:#3 1: 712( &= ()# 1(&' 3#=454(4&5:A *)#:# 7142: 12# (<74%1$$< 0:#3 (&%$&:# 2456 :(20%(02#:A *)# :#%&53 $4:( %&5(145: ZZ;&53:[[ ()1( 12# (& ;# ;2&8#5C &$!$C 7142: &= 1(&': ()1(12# 5&( %&B1$#5($< ;&53#3C ;0( ?)4%) ?#2# 0:#3 (& 3#=45# 1 34:(15%# 45 ()# 1(&' 3#=454(4&5:A 8NOGP&2%&R *)# 8#<?&23 7121'#(#2 =4$# 1$?1<: )1: ()# #>(#5:4&5 .key 153 4: &7(4&51$$< 72#:#5( 302456 *+,-./%1$%0$1(4&5:A +( %&5(145: B1$0#: =&2 15< &= 1 ?43# B124#(< &= :?4(%)#: 153 7121'#(#2: ()1( 12# 0:#3 (&%)156# ()# %&02:# &= ()# %&'70(1(4&5 =2&' ()# 3#=10$(A *)# 3#(14$#3 %&5(#5(: &= ()4: =4$# 4: #>7$145#345 1 $1((#2 :#%(4&5 &= ()4: ^:#2[: e043#A += 1 '&$#%0$12 :<:(#' :7#%4=4% 8#<=4$#C 45 ()4: %1:#sample.keyC 4: 5&( 72#:#5(C ()# ()# *+,-./ 72&621' ?4$$ $&&8 45 ()# :1'# 342#%(&2< =&2 1 6#5#24%=4$# 51'#3 tinker.keyA 8NOGP&2IR$ *)# .dyn =4$# %&5(145: B1$0#: 5##3#3 (& 2#:(12( 1 '&$#%0$12 &2 :(&%)1:(4% 3<51'4%: %&'70(1(4&5A +(:(&2#: ()# %022#5( 7&:4(4&5C %022#5( B#$&%4(< 153 %022#5( 153 72#B4&0: 1%%#$#21(4&5: =&2 #1%) 1(&'C 1:?#$$ 1: ()# :4K# 153 :)17# &= 15< 7#24&34% ;&> &2 %2<:(1$ 054( %#$$A *)4: 45=&2'1(4&5 %15 ;# 0:#3 (&:(12( 1 5#? 3<51'4%: 205 =2&' ()# =451$ :(1(# &= 1 72#B4&0: 205A ^7&5 :(12(07C ()# 3<51'4%: 72&621':1$?1<: %)#%8 =&2 ()# 72#:#5%# &= 1 .dyn =4$# 153 '18# 0:# &= 4( ?)#5#B#2 7&::4;$#A *)# .dyn =4$# 4:0731(#3 %&5%022#5( ?4() ()# :1B456 &= 1 5#? 3<51'4%: (21D#%(&2< :517:)&(A 8NOGP&2&$I

Page 12: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

11 "#$%&' ()*+,) -./0* 11

*)# .end =4$# (<7# 72&B43#: 1 '#%)154:' (& 621%#=0$$< :(&7 1 2055456 *+,-./ %1$%0$1(4&5A \(1772&7241(# %)#%87&45(: 302456 1 %1$%0$1(4&5C *+,-./ ?4$$ (#:( =&2 ()# 72#:#5%# &= 1 sample.end=4$#C 153 4= =&053 ?4$$ (#2'451(# ()# %1$%0$1(4&5 1=(#2 0731(456 ()# &0(70(A *)# .end =4$# %15 ;#%2#1(#3 1( 15< (4'# 302456 1 %&'70(1(4&5C 153 ?4$$ ;# 3#(#%(#3 ?)#5 ()# 5#>( %)#%87&45( 4: 2#1%)#3A*)# =4$# '1< ;# &= K#2& :4K#C 153 4(: %&5(#5(: 12# 054'7&2(15(A +5 ()# %022#5( B#2:4&5 &= *+,-./C ()#.end'#%)154:' 4: &5$< 1B14$1;$# ?4()45 3<51'4%:@;1:#3 72&621':A 8NOGP&2TT1U 8NOGP&2TTDU 2222 W#B#21$ (<7#: &= %&'70(1(4&5: 72&30%# =4$#: %&5(145456 1 ()2## &2 '&2# 3464( #>(#5:4&5 F.001 1::)&?5l &2 .002C .137C .5678C !"#AHA *)#:# 12# 2#=#22#3 (& 1: %<%$# =4$#:C 153 12# 0:#3 (& :(&2# B124&0:(<7#: &= &0(70( :(20%(02#:A *)# %<%$# =4$#: =2&' 1 64B#5 %&'70(1(4&5 12# 43#5(4%1$ 45 45(#251$ :(20%(02#(& #4()#2 ()# .xyz &2 .int =4$#: 3#:%24;#3 1;&B#A ]&2 #>1'7$#C ()# B4;21(4&51$ 151$<:4: 72&621' %15:1B# ()# (#5() 5&2'1$ '&3# 45 sample.010A \ '&$#%0$12 3<51'4%:@;1:#3 72&621' '46)( :1B# 4(:(#5() SAG 74%&:#%&53 =21'# F&2 15 #5#26< '454'4K#2 4(: (#5() 712(41$$< '454'4K#3 45(#2'#341(#H 45 1=4$# &= ()# :1'# 51'#A 8NOGP&2PJ- *)# ]&2%# ]4#$3 .>7$&2#2 45(#2=1%# (& *+,-./ :1B#: 2#:0$(: &= 1$$ %1$%0$1(4&5: $105%)#3 =2&' ()# e^+(& 1 $&6 =4$# ?4() ()# .log :0==4>A \5< &0(70( ()1( ?&0$3 5&2'1$$< ;# 342#%(#3 (& ()# :%2##5 1=(#2:(12(456 1 72&621' =2&' ()# %&''153 $45# 4: 177#53#3 (& ()4: $&6 =4$# ;< ]&2%# ]4#$3 .>7$&2#2A 8NOGP&2N'? \ *+,-./ 12%)4B# =4$# 4: :4'7$< 1 :#24#: &= .xyz U12(#:415 %&&23451(# =4$#: 177#53#3 (&6#()#2 &5#1=(#2 15&()#2A *)4: =4$# %15 ;# 0:#3 (& %&53#5:# ()# 2#:0$(: =2&' 45(#2'#341(# :(16#: &= 15&7(4'4K1(4&5C =21'#: =2&' 1 '&$#%0$12 3<51'4%: (21D#%(&2<C &2 :#( &= 5&2'1$ '&3# B4;21(4&5: 45(& 1:456$# =4$# =&2 :(&216#A *+,-./ 12%)4B# =4$#: %15 ;# 34:7$1<#3 1: ZZ'&B4#:[[ ;< ()# ]&2%# ]4#$3 .>7$&2#2'&3#$456 72&621'A 8NOGP&2GIV *)4: =4$# (<7# %&5(145: %&&23451(# 45=&2'1(4&5 45 ()# bYd =&2'1( 3#B#$&7#3 ;< ()# d2&&8)1B#5b2&(#45 Y1(1 d158 =&2 3#7&:4(4&5 &= '&3#$ :(20%(02#: ;1:#3 &5 '1%2&'&$#%0$12 `@21< 34==21%(4&5 153,T/ 31(1A \$()&06) *+,-./ 4(:#$= 3&#: 5&( 0:# .pdb =4$#: 342#%($< =&2 4570(a&0(70(C 10>4$412<72&621': 12# 72&B43#3 ?4() ()# :<:(#' =&2 45(#2%&5B#2(456 .pdb =4$#: ?4() ()# .xyz =&2'1(3#:%24;#3 1;&B#A 8NOGP&28&K *)4: =4$# (<7# %&5(145: ()# 724'12< :#I0#5%# &= 1 ;4&7&$<'#2 45 ()# :(153123 &5#@$#((#2 %&3# ?4() NS2#:430#: 7#2 $45#A *)# .seq =4$# =&2 1 ;4&7&$<'#2 4: 6#5#21(#3 10(&'1(4%1$$< ?)#5 1 bYd =4$# 4:%&5B#2(#3 (& *+,-./ .xyz =&2'1( &2 ?)#5 0:456 ()# b/V*.+, &2 ,^U_.+U 72&621': (& ;04$3 1:(20%(02# =2&' :#I0#5%# +( 4: 2#I042#3 =&2 ()# 2#B#2:# %&5B#2:4&5 &= 1 *+,-./ =4$# ;1%8 (& bYd=&2'1(AA 8NOGP&2>'N? *)# =21%(4&51$ %&&23451(#: %&22#:7&53456 (& ()# 1:<''#(24% 054( &= 1 %2<:(1$ 054( %#$$ 12# :(&2#3 45()# .frac =4$#A *)# 45(#251$ =&2'1( &= ()4: =4$# 4: 43#5(4%1$ (& ()# .xyz =4$#l #>%#7( ()1( ()# %&&23451(#:12# =21%(4&51$ 45:(#13 &= 45 \56:(2&' 054(:A

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12 "#$%&' ()*+,) -./0* 12

8NOGP&2QOJP *)# \/UX+c. 72&621' )1: ()# &7(4&5 &= %&5B#2(456 1 :#24#: &= .xyz %<%$# =4$#: 45(& 15 `T18#'&$`kj =4$#A *)#:# =4$#: %15 ;# 34:7$1<#3 1: 1 '&B4# 0:456 ()# `T18#'&$ 34:7$1< 72&621'A ,&(# ()1( ()#.xmol =4$# =&2'1( 3&#: 5&( %&5(145 *+,-./ 1(&' (<7# 45=&2'1(4&5C :& 4( 4: 5&( 7&::4;$# (& %&5B#2( 15.xmol =4$# ;1%8 45(& 1 *+,-./ .xyz =4$#A 8NOGP&2?N' *)# \/UX+c. 72&621' )1: ()# &7(4&5 &= %&5B#2(456 1 :#24#: &= .xyz %<%$# =4$#: 45(& 15 \%%#$#2<:+5:46)(++ %&&23451(# 12%)4B# =4$#A *)#:# =4$#: %15 ;# 34:7$1<#3 1: 1 '&B4# 0:456 ()# +5:46)(++ 34:7$1<72&621'A ,&(# ()1( ()# .car =4$# =&2'1( 3&#: 5&( %&5(145 *+,-./ 1(&' (<7# 45=&2'1(4&5C :& 4( 4: 5&(7&::4;$# (& %&5B#2( 1 .car =4$# ;1%8 45(& 1 *+,-./ .XYZ =4$#A GN'NO&"&' >#P&8 *)# 7&(#5(41$ #5#26< 7121'#(#2 =4$#: 34:(24;0(#3 ?4() ()# *+,-./ 71%816# 1$$ #53 45 ()# #>(#5:4&5.prmC 1$()&06) ()4: 4: 5&( 2#I042#3 ;< ()# 72&621': ()#':#$B#:A .1%) &= ()#:# =4$#: %&5(145: 13#=454(4&5 &= ()# 7&(#5(41$ #5#26< =05%(4&51$ =&2': =&2 ()1( =&2%# =4#$3 1: ?#$$ 1: B1$0#: =&2 4534B4301$#5#26< 7121'#(#2:A ]&2 #>1'7$#C ()# mm3pro.prm =4$# %&5(145: ()# #5#26< 7121'#(#2: 1533#=454(4&5: 5##3#3 =&2 1 72&(#45@:7#%4=4% B#2:4&5 &= ()# TTL =&2%# =4#$3A

Page 14: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

13 "#$%&' ()*+,) -./0* 13

W2 G54*34/;B &3*+XE G+5X+;C) *)4: :#%(4&5 &= ()# '1501$ %&5(145: 1 ;24#= 3#:%247(4&5 &= #1%) &= ()# *+,-./ 7&(#5(41$ #5#26<72&621':A \ 3#(14$#3 #>1'7$# :)&?456 )&? (& 205 #1%) 72&621' 4: 45%$03#3 45 1 $1(#2 :#%(4&5A *)#72&621': $4:(#3 ;#$&? 12# 1$$ 712( &= ()# '145C :077&2(#3 34:(24;0(4&5A \334(4&51$ :&02%# %&3# =&2B124&0: 05:077&2(#3 72&621': %15 ;# =&053 45 ()# a&()#2 342#%(&2< &= ()# *+,-./ 34:(24;0(4&5A NP?Y&OR \ :4'7$# 72&621' (& 7#2=&2' B#2< ;1:4% =2## #5#26< 7#2(02;1(4&5 %1$%0$1(4&5:A *)4: 72&621' 4:72&B43#3 '&:($< =&2 3#'&5:(21(4&5 7027&:#:A ]&2 #>1'7$#C ?# 0:# \_UX.Tk 45 1 '&$#%0$12'&3#$456 %&02:# $1;&21(&2< #>#2%4:# (& 7#2=&2' :0%) %$1::4% '0(1(4&5: 1: %)$&243# (& ;2&'43# 153#()15# (& '#()15&$ 45 ?1(#2A *)# 72#:#5( B#2:4&5 0:#: ()# 7#2(02;1(4&5 =&2'0$1 153 ?453&?456 ?4()15 #>7$4%4( '177456 &= 1(&': 45B&$B#3 45 ()# '0(1(4&5 FZZ\Td./[[@:(<$#HC 45:(#13 &= ()#2'&3<51'4%45(#621(4&5 153 453#7#53#5( =2##$< 72&7161(456 62&07: &= '0(1(#3 1(&': FZZUX\/TT[[@:(<$#HA W&'#&= ()# %&3# :7#%4=4% (& ()4: 72&621' 4: $4'4(#3 (& ()# \Td./ 153 Vb_W 7&(#5(41$ =05%(4&51$ =&2':C ;0(%&0$3 ;# #1:4$< 6#5#21$4K#3 (& )153$# &()#2 7&(#5(41$:A \ '&2# 6#5#21$ 153 :&7)4:(4%1(#3 B#2:4&5 4:%022#5($< 053#2 3#B#$&7'#5(A N$NPRS& b2&B43#: 45=&2'1(4&5 1;&0( 1 :7#%4=4% '&$#%0$12 :(20%(02#A *)# 72&621' ?4$$ 1:8 =&2 ()# 51'# &= 1:(20%(02# =4$#C ?)4%) '0:( ;# 45 ()# *+,-./ .xyz =4$# =&2'1(C 153 ()# (<7# &= 151$<:4: 3#:42#3AV7(4&5: 1$$&? &0(70( &=E FGH (&(1$ 7&(#5(41$ #5#26< &= ()# :<:(#'C FJH ;2#183&?5 &= ()# #5#26< ;<7&(#5(41$ =05%(4&5 (<7# &2 &B#2 4534B4301$ 1(&':C FLH %&'70(1(4&5 &= ()# (&(1$ 347&$# '&'#5( 153 4(:%&'7&5#5(:C '&'#5(: &= 45#2(41 153 21340: &= 6<21(4&5C FMH $4:(456 &= ()# 7121'#(#2: 0:#3 (& %&'70(#:#$#%(#3 45(#21%(4&5 #5#264#:C FNH #5#264#: 1::&%41(#3 ?4() :7#%4=4#3 4534B4301$ 45(#21%(4&5:A N$$&NP b#2=&2': 1 '&$#%0$12 3<51'4%: :4'0$1(#3 155#1$456 %&'70(1(4&5A *)# 72&621' :(12(: =2&' 1:7#%4=4#3 4570( '&$#%0$12 :(20%(02# 45 *+,-./ .xyz =&2'1(A *)# (21D#%(&2< 4: 0731(#3 0:456 #4()#2 1'&34=4#3 d##'15 &2 1 B#$&%4(< c#2$#( 45(#621(4&5 '#()&3A *)# 155#1$456 72&(&%&$ 4: 4'7$#'#5(#3 ;<1$$&?456 :'&&() %)156#: ;#(?##5 :(12(456 153 =451$ B1$0#: &= ()# :<:(#' (#'7#21(02# B41 ()#e2&5456#5 '#()&3 &= %&07$456 (& 15 #>(#251$ ;1()A *)# :%1$456 %15 ;# $45#12 &2 :46'&431$ 45 51(02#A +51334(4&5C 7121'#(#2: :0%) 1: %0(&== 34:(15%# %15 ;# (215:=&2'#3 1$&56 ?4() ()# (#'7#21(02#A *)#0:#2 '0:( 4570( ()# 3#:42#3 50';#2 &= 3<51'4%: :(#7: =&2 ;&() ()# #I04$4;21(4&5 153 %&&$456 7)1:#:C1 (4'# 45(#2B1$ =&2 ()# 3<51'4%: :(#7:C 153 15 45(#2B1$ ;#(?##5 %&&23451(#a(21D#%(&2< :1B#:A \$$ :1B#3%&&23451(# :#(: 1$&56 ()# (21D#%(&2< 12# 7$1%#3 45 :#I0#5(41$$< 50';#2#3 %<%$# =4$#:A IR$NO#? b#2=&2': 1 '&$#%0$12 3<51'4%: FTYH &2 :(&%)1:(4% 3<51'4%: FWYH %&'70(1(4&5A W(12(: #4()#2 =2&' 1:7#%4=4#3 4570( '&$#%0$12 :(20%(02# F15 .xyz =4$#H &2 =2&' 1 :(20%(02#@B#$&%4(<@1%%#$#21(4&5 :#( :1B#3=2&' 1 72#B4&0: 3<51'4%: (21D#%(&2< F1 2#:(12( =2&' 1 .dyn =4$#HA TY (21D#%(&24#: 12# 72&7161(#30:456 #4()#2 1 '&34=4#3 d##'15 &2 1 B#$&%4(< c#2$#( 45(#621(4&5 '#()&3A WY 4: 4'7$#'#5(#3 B41 &02&?5 3#24B1(4&5 &= 1 B#$&%4(< c#2$#(@;1:#3 1$6&24()'A +5 1334(4&5 ()# 72&621' %15 7#2=&2' =0$$ %2<:(1$%1$%0$1(4&5:C 153 %15 &7#21(# 45 %&5:(15( #5#26< '&3# &2 ?4() '145(#515%# &= 1 3#:42#3 (#'7#21(02#153a&2 72#::02# 0:456 ()# e2&5456#5 '#()&3 &= %&07$456 (& #>(#251$ ;1():A *)# 0:#2 '0:( 4570( ()#3#:42#3 50';#2 &= 3<51'4%: :(#7:C 1 (4'# 45(#2B1$ =&2 ()# 3<51'4%: :(#7:C 153 15 45(#2B1$ ;#(?##5%&&23451(#a(21D#%(&2< :1B#:A U&&23451(# :#(: 1$&56 ()# (21D#%(&2< %15 ;# :1B#3 1: :#I0#5(41$$<

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14 "#$%&' ()*+,) -./0* 14

50';#2#3 %<%$# =4$#: &2 342#%($< (& 1 *+,-./ 12%)4B# .arc =4$#A \( ()# :1'# (4'# ()1( 1 7&45( 1$&56()# (21D#%(&2< 4: :1B#3C ()# %&'7$#(# 45=&2'1(4&5 5##3#3 (& 2#:(12( ()# (21D#%(&2< =2&' ()1( 7&45( 4:0731(#3 153 :(&2#3 45 ()# .dyn =4$#A -IN \ 72&621' (& 4'7$#'#5( W(210;[: e10::415 Y#5:4(< \55#1$456 1$6&24()' &B#2 15 #==#%(4B# :#24#: &=151$<(4%1$$< :'&&()#3 7&(#5(41$ #5#26< :02=1%#:A *)4: '#()&3 %15 ;# B4#?#3 1: 15 #>(#53#3:(&%)1:(4% B#2:4&5 &= ()# 34==0:4&5 #I01(4&5 '#()&3 &= W%)#2161C !" ()AC 153 1$:& )1: '15< :4'4$12=#1(02#: (& ()# *+,-./ b&(#5(41$ W'&&()456 153 W#12%) FbWWH :#24#: &= 72&621':A *)# %022#5(B#2:4&5 &= eY\ 4: :4'4$12 (& ;0( 3&#: 5&( #>1%($< 2#72&30%# W(210;[: 70;$4:)#3 '#()&3 153 4: $4'4(#3(& 126&5 %$0:(#2: 153 &()#2 :4'7$# :<:(#': 45B&$B456 &5$< B15 3#2 "11$: 45(#21%(4&5:l =02()#2'&34=4%1(4&5 153 3#B#$&7'#5( &= ()4: %&3# 4: %022#5($< 053#2?1< 45 ()# b&53#2 2#:#12%) 62&07A \:?4() &()#2 72&621': 45B&$B456 7&(#5(41$ :'&&()456C eY\ %022#5($< 2#I042#: 0:# &= ()# smooth.prm=&2%# =4#$3 7121'#(#2:A O#$#O#S& *)# T+,+T+j. 72&621' 7#2=&2': 1 $4'4(#3 '#'&2< _@d]eW '454'4K1(4&5 &= 15 4570( :(20%(02# &B#2U12(#:415 %&&23451(#: 0:456 1 '&34=4#3 B#2:4&5 &= ()# 1$6&24()' &= g&26# ,&%#31$A *)# '#()&32#I042#: &5$< ()# 7&(#5(41$ #5#26< 153 62134#5( 1( #1%) :(#7 1$&56 ()# '454'4K1(4&5 71()?1<A +(2#I042#: :(&216# :71%# 72&7&2(4&51$ (& ()# 50';#2 &= 1(&': 45 ()# :(20%(02#A *)# T+,+T+j.72&%#302# 4: 2#%&''#53#3 =&2 72#$4'4512< '454'4K1(4&5 &= (241$ :(20%(02#: (& 15 *+, 62134#5( &= GAS(& SAG 8%1$a'&$#amA +( )1: 1 2#$1(4B#$< =1:( %<%$# (4'# 153 4: (&$#215( &= 7&&2 454(41$ :(20%(02#:C ;0(%&5B#26#: 45 1 :$&?C $45#12 =1:)4&5 5#12 ()# '454'0'A *)# 0:#2 :077$4#: ()# 51'# &= ()# *+,-./.xyz %&&23451(#: =4$# 153 1 (126#( *+, 62134#5( B1$0# 1( ?)4%) ()# '454'4K1(4&5 ?4$$ (#2'451(#AV0(70( %&5:4:(: &= '454'4K1(4&5 :(1(4:(4%: ?24((#5 (& ()# :%2##5 &2 2#342#%(#3 (& 15 &0(70( =4$#C 153()# 5#? %&&23451(#: ?24((#5 (& 0731(#3 .xyz =4$#: &2 (& %<%$# =4$#:A O#$#'J" *)# T+,+/V* 72&621' 0:#: ()# :1'# $4'4(#3 '#'&2< _@d]eW '#()&3 1: T+,+T+j.C ;0( 7#2=&2':()# %&'70(1(4&5 45 (#2': &= 34)#321$ 156$#: 45:(#13 &= U12(#:415 %&&23451(#:A V0(70( 4: :1B#3 45 150731(#3 .int =4$# &2 45 %<%$# =4$#:A O#$'#-#I *)# T+,/+e+Y 72&621' 4: :4'4$12 (& T+,+T+j. #>%#7( ()1( 4( &7#21(#: &5 24643 ;&34#: :(12(456 =2&' 1*+,-./ .xyz %&&23451(# =4$# 153 ()# 24643 ;&3< 62&07 3#=454(4&5: =&053 45 ()# %&22#:7&53456 .key=4$#A V0(70( 4: :1B#3 45 15 0731(#3 .xyz =4$# &2 45 %<%$# =4$#:A OJ$"& *)# TV,*. 72&621' 4'7$#'#5(: ()# T&5(# U12$& T454'4K1(4&5 1$6&24()' 3#B#$&7#3 ;< X12&$3W%)#2161[: 62&07 153 &()#2:A *)# 72&%#302# (18#: T&5(# U12$& :(#7: =&2 #4()#2 1 :456$# 1(&' &2 1:456$# (&2:4&51$ 156$#C ()#5 7#2=&2': 1 '454'4K1(4&5 ;#=&2# 177$4%1(4&5 &= ()# T#(2&7&$4: :1'7$456'#()&3A *)4: 2#:0$(: 45 #==#%(4B# :1'7$456 &= 1 '&34=4#3 7&(#5(41$ :02=1%# ?)#2# ()# &5$< 7&::4;$##5#26< $#B#$: 12# ()&:# &= $&%1$ '454'1 &5 ()# &246451$ :02=1%#A *)# 72&621' %15 ;# #1:4$< '&34=4#3 (&#$1;&21(# &5 ()# 1B14$1;$# '&B# :#(A $&<"J$

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15 "#$%&' ()*+,) -./0* 15

\ (205%1(#3 ,#?(&5 '454'4K1(4&5 '#()&3 ?)4%) 2#I042#: 7&(#5(41$ #5#26<C 62134#5( 153 X#::41545=&2'1(4&5A *)4: 72&%#302# )1: :4654=4%15( 13B15(16#: &B#2 :(153123 ,#?(&5 '#()&3:C 153 4: 1;$#(& '454'4K# B#2< $126# :(20%(02#: %&'7$#(#$<A W#B#21$ &7(4&5: 12# 72&B43#3 ?4() 2#:7#%( (&'454'4K1(4&5 '#()&3 153 72#%&534(4&5456 &= ()# ,#?(&5 #I01(4&5:A *)# 3#=10$( &7(4&5: 12#2#%&''#53#3 05$#:: ()# 0:#2 4: =1'4$412 ?4() ()# '1() 45B&$B#3A *)4: 72&621' &7#21(#: 45 U12(#:415%&&23451(# :71%# 153 4: =142$< (&$#215( &= 7&&2 4570( :(20%(02#:A *<74%1$ 1$6&24()' 4(#21(4&5 (4'#: 12#$&56#2 ()15 ?4() 5&5$45#12 %&5D061(# 62134#5( &2 B1241;$# '#(24% '#()&3:C ;0( '15< =#?#2 4(#21(4&5:12# 2#I042#3 =&2 %&'7$#(# '454'4K1(4&5A ,."*V, 4: 0:01$$< ()# ;#:( %)&4%# =&2 '454'4K1(4&5: (& ()#SASG (& SASSSSSG 8%1$a'&$#am $#B#$ &= *+, 62134#5( %&5B#26#5%#A *#:(: =&2 342#%(4&5: &= 5#61(4B#%02B1(02# %15 ;# 2#'&B#3C 1$$&?456 ,."*V, (& ;# 0:#3 =&2 &7(4'4K1(4&5 (& %&5=&2'1(4&51$(215:4(4&5 :(1(# :(20%(02#: F()4: &5$< ?&28: 4= ()# :(12(456 7&45( 4: B#2< %$&:# (& ()# (215:4(4&5 :(1(#HA+570( %&5:4:(: &= 1 *+,-./ .xyz %&&23451(#: =4$#l &0(70( 4: 15 0731(#3 :#( &= '454'4K#3 %&&23451(#:153 '454'4K1(4&5 :(1(4:(4%:A $&<"'J" *)# ,."*/V* 72&621' 4: :4'4$12 (& ,."*V, #>%#7( ()1( 4( 2#I042#: 1 .int =4$# 1: 4570( 153 ()#5&7#21(#: 45 (#2': &= 34)#321$ 156$#: 1: ()# '454'4K1(4&5 B1241;$#:A W45%# ()# 34)#321$ :71%# X#::415'1(24> &= 15 12;4(212< :(20%(02# 4: &=(#5 453#=454(#C ()4: '#()&3 ?4$$ &=(#5 5&( 7#2=&2' 1: ?#$$ 1: ()#&()#2C :4'7$#2 34)#321$ 156$# ;1:#3 '454'4K#2:A JG"#O#S& *)# Vb*+T+j. 72&621' 7#2=&2': 1 &7(4'1$$< %&534(4&5#3 B1241;$# '#(24% '454'4K1(4&5 &= 15 4570(:(20%(02# &B#2 U12(#:415 %&&23451(#: 0:456 15 1$6&24()' 30# (& "4$$41' Y1B43&5A *)# '#()&3 3&#:5&( 7#2=&2' $45# :#12%)#:C ;0( 2#I042#: %&'70(1(4&5 &= #5#264#: 153 62134#5(: 1: ?#$$ 1: :(&216# =&215 #:(4'1(# &= ()# 45B#2:# X#::415 '1(24>A *)# 72&621' &7#21(#: &5 U12(#:415 %&&23451(#: =2&' 1*+,-./ .xyz =4$#A Vb*+T+j. ?4$$ (<74%1$$< %&5B#26# :&'#?)1( =1:(#2 153 '&2# %&'7$#(#$< ()15T+,+T+j.A X&?#B#2C ()# 5##3 (& :(&2# 153 '15470$1(# 1 =0$$ 45B#2:# X#::415 #:(4'1(# $4'4(: 4(: 0:# (&:(20%(02#: %&5(145456 $#:: ()15 1 =#? )0532#3 1(&': &5 ?&28:(1(4&5 %$1:: '1%)45#:A \: ?4() ()#&()#2 '454'4K#2:C Vb*+T+j. 5##3: 4570( %&&23451(#: 153 15 *+, 62134#5( %0(&== %24(#24&5A *)#&0(70( %&&23451(#: 12# :1B#3 45 0731(#3 .xyz =4$#: &2 1: %<%$# =4$#:A JG"#'J" *)# Vb*+/V* 72&621' 4: :4'4$12 (& Vb*+T+j. #>%#7( ()1( 4( &7#21(#: &5 34)#321$ 156$#: :(12(456=2&' 1 *+,-./ .int 45(#251$ %&&23451(# =4$#A *)4: 72&621' 4: 0:01$$< ()# 72#=#22#3 '#()&3 =&2 '&:(34)#321$ 156$# &7(4'4K1(4&5 72&;$#': :45%# *205%1(#3 ,#?(&5 '#()&3: 177#12C 45 &02 )153:C (& $&:#:&'# &= ()#42 #==4%1%< 45 '&B456 =2&' U12(#:415 (& (&2:4&51$ %&&23451(#:A JG"'#-#I *)# Vb*/+e+Y 72&621' 4: :4'4$12 (& Vb*+T+j. #>%#7( ()1( 4( &7#21(#: &5 24643 ;&34#: :(12(456 =2&' 1*+,-./ .xyz %&&23451(# =4$# 153 ()# 24643 ;&3< 1(&' 62&07 3#=454(4&5: =&053 45 ()# %&22#:7&53456.key =4$#A V0(70( 4: :1B#3 45 15 0731(#3 .xyz =4$# &2 45 %<%$# =4$#:A GN"Y \ 72&621' ()1( 4'7$#'#5(: 1 B12415( &= .$;#2[: _162156415 '0$(47$4#2@;1:#3 2#1%(4&5 71() =&$$&?4561$6&24()'A *)# 72&621' (18#: 1: 4570( 1 7142 &= :(20%(021$ '454'1 1: *+,-./ .xyz =4$#:C 153 ()#56#5#21(#: 1 0:#2 :7#%4=4#3 50';#2 &= 7&45(: 1$&56 1 71() ()2&06) %&5=&2'1(4&51$ :71%# %&55#%(456()# 4570( :(20%(02#:A *)# 45(#2'#341(# :(20%(02#: 12# &0(70( 1: *+,-./ %<%$# =4$#:C 153 ()# )46)#2

Page 17: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

16 "#$%&' ()*+,) -./0* 16

#5#26< 45(#2'#341(#: %15 ;# 0:#3 1: 4570( (& 1 ,#?(&5@;1:#3 &7(4'4K1(4&5 (& $&%1(# %&5=&2'1(4&51$(215:4(4&5 :(1(#:A G88 +'7$#'#5(: &02 B#2:4&5 &= 1 7&(#5(41$ :'&&()456 153 :#12%) 1$6&24()' =&2 ()# 6$&;1$ &7(4'4K1(4&5 &='&$#%0$12 %&5=&2'1(4&5A \5 454(41$ :(20%(02# 45 .xyz =&2'1( 4: =42:( '454'4K#3 45 U12(#:415%&&23451(#: &5 1 :#24#: &= 45%2#1:456$< :'&&()#3 7&(#5(41$ #5#26< :02=1%#:A *)#5 ()# :'&&()45672&%#302# 4: 2#B#2:#3 ?4() '454'4K1(4&5 &5 #1%) :0%%#::4B# :02=1%# :(12(456 =2&' ()# %&&23451(#: &=()# '454'0' &5 ()# 72#B4&0: :02=1%#A \ $&%1$ :#12%) 72&%#302# 4: 0:#3 302456 ()# ;1%8(21%8456 (&#>7$&2# =&2 1$(#251(4B# '454'1 ;#((#2 ()15 ()# &5# =&053 302456 ()# %022#5( '454'4K1(4&5A *)# =451$2#:0$( 4: 0:01$$< 1 B#2< $&? #5#26< %&5=&2'1(4&5 &2C 45 =1B&21;$# %1:#:C ()# 6$&;1$ #5#26< '454'0'%&5=&2'1(4&5A *)# '454'0' #5#26< %&&23451(# :#(: =&053 &5 #1%) :02=1%# 302456 ;&() ()# =&2?123:'&&()456 153 ;1%8(21%8456 72&%#302#: 12# 7$1%#3 45 :#I0#5(41$$< 50';#2#3 %<%$# =4$#:A G88'#-#I *)4: 72&621' 4'7$#'#5(: ()# 7&(#5(41$ :'&&()456 153 :#12%) '#()&3 1: 3#:%24;#3 1;&B# =&2 ()# bWW72&621'C ;0( 7#2=&2': ()# %&'70(1(4&5 45 (#2': &= 8#<=4$#@3#=45#3 24643 ;&3< 1(&' 62&07: 45:(#13 &=U12(#:415 %&&23451(#:A V0(70( 4: :1B#3 45 50';#2#3 %<%$# =4$#: ?4() ()# .xyz =4$# =&2'1(A G88'J" *)4: 72&621' 4'7$#'#5(: ()# 7&(#5(41$ :'&&()456 153 :#12%) '#()&3 1: 3#:%24;#3 1;&B# =&2 ()# bWW72&621'C ;0( 7#2=&2': ()# %&'70(1(4&5 45 (#2': &= 1 :#( &= 0:#2@:7#%4=4#3 34)#321$ 156$#: 45:(#13 &=U12(#:415 %&&23451(#:A V0(70( 4: :1B#3 45 50';#2#3 %<%$# =4$#: ?4() ()# .int =4$# =&2'1(A 8NIIP& \ 72&621' =&2 ()# $&%1(4&5 &= 1 %&5=&2'1(4&51$ (215:4(4&5 :(1(# ;#(?##5 (?& 7&(#5(41$ #5#26<'454'1A W\YY_. 0:#: 1 %&56$&'#21(4&5 &= 43#1: =2&' ()# d#$$@U246)(&5 I01321(4% 71() 153 ()#X1$62#5@_47:%&'; :<5%)2&5&0: (215:4( '#()&3:A *)# ;1:4% 43#1 4: (& 7#2=&2' 1 5&5$45#12 %&5D061(#62134#5( &7(4'4K1(4&5 45 1 :0;:71%# &2()&6&51$ (& 1 :04(1;$< 3#=45#3 2#1%(4&5 %&&23451(#A *)#72&621' 2#I042#: 1: 4570( ()# %&&23451(#: F*+,-./ .xyz =4$#:H &= ()# (?& '454'1 153 15 *+,62134#5( %&5B#26#5%# %24(#24&5 =&2 ()# &7(4'4K1(4&5A *)# %022#5( #:(4'1(# &= ()# (215:4(4&5 :(1(#:(20%(02# 4: ?24((#5 (& ()# =4$# *W*\*.A`kjA U203# (215:4(4&5 :(1(# :(20%(02#: 6#5#21(#3 ;< W\YY_.%15 :&'#(4'#: ;# 2#=45#3 0:456 ()# ,."*V, 72&621'A V7(4&51$$<C 1 :%15 &= ()# 45(#2%&5B#2:4&571()?1< %15 ;# '13# 1( #1%) '1D&2 4(#21(4&5A 8?N$ \ 72&621' =&2 6#5#21$ %&5=&2'1(4&51$ :#12%) &= 15 #5(42# 7&(#5(41$ #5#26< :02=1%# B41 1 ;1:45)&77456 '#()&3A *)# 72&621' (18#: 1: 4570( 1 *+,-./ .xyz %&&23451(#: =4$# ?)4%) 4: ()#5'454'4K#3 (& =453 ()# =42:( $&%1$ '454'0' =&2 1 :#12%) $4:(A \ :#24#: &= 1%(4B1(4&5: 1$&56 B124&0:5&2'1$ '&3#: =2&' ()4: 454(41$ '454'0' 12# 0:#3 1: :##3 7&45(: =&2 1334(4&51$ '454'4K1(4&5:A")#5#B#2 1 72#B4&0:$< 0585&?5 $&%1$ '454'0' 4: $&%1(#3 4( 4: 133#3 (& ()# :#12%) $4:(A ")#5 1$$'454'1 &5 ()# :#12%) $4:( )1B# ;##5 :0;D#%(#3 (& ()# 5&2'1$ '&3# 1%(4B1(4&5 ?4()&0( $&%1(4561334(4&51$ 5#? '454'1C ()# 72&621' (#2'451(#:A *)# 4534B4301$ $&%1$ '454'1 12# ?24((#5 (& %<%$#=4$#: 1: ()#< 12# 34:%&B#2#3A ")4$# ()# WU\, 72&621' %15 ;# 0:#3 &5 :(153123 053#=&2'#3 7&(#5(41$#5#26< :02=1%#:C ?# )1B# =&053 4( (& ;# '&:( 0:#=0$ =&2 I04%8$< ZZ:%155456[[ 1 :'&&()#3 #5#26<:02=1%# (& #50'#21(# ()# '1D&2 ;1:45: &= 1((21%(4&5 :715456 ()# #5(42# :02=1%#A

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17 "#$%&' ()*+,) -./0* 17

8$#>>&' \ 72&621' ()1( 4'7$#'#5(: ()# W54==#2 6$&;1$ &7(4'4K1(4&5 1$6&24()' &= d0($#2 153 W$1'4581C 134:%2#(# B#2:4&5 &= e24#?158[: 6$&;1$ :#12%) (21D#%(&2< '#()&3A *)# 72&621' (18#: 15 4570( *+,-./.xyz %&&23451(#: =4$# 153 :)18#: 4( B46&2&0:$< B41 1 '&34=4#3 3<51'4%: (21D#%(&2< ;#=&2#C )&7#=0$$<C:#(($456 45(& 1 $&? $<456 '454'0'A W&'# (241$ 153 #22&2 4: &=(#5 2#I042#3 1: ()# %022#5(4'7$#'#5(1(4&5 4: :#5:4(4B# (& B124&0: 7121'#(#2: 153 (&$#215%#: ()1( 6&B#25 ()# %&'70(1(4&5A \(72#:#5(C ()#:# 7121'#(#2: 12# 5&( 0:#2 1%%#::4;$#C 153 '0:( ;# 1$(#2#3 45 ()# :&02%# %&3#A X&?#B#2C()4: '#()&3 %15 3& 1 6&&3 D&; &= I04%8$< &7(4'4K456 %&5=&2'1(4&5 ?4()45 1 $4'4(#3 2156# &=%&5B#26#5%#A "&8"-'NI *)# *.W*e/\Y 72&621' %&'70(#: 153 %&'712#: ()# 151$<(4%1$ 153 50'#24%1$ =42:( 3#24B1(4B#: F&$!$C()# 62134#5( B#%(&2H &= ()# 7&(#5(41$ #5#26< =&2 1 U12(#:415 %&&23451(# 4570( :(20%(02#A *)# &0(70(%15 ;# 0:#3 (& (#:( &2 3#;06 ()# %022#5( 7&(#5(41$ &2 15< 133#3 0:#2 3#=45#3 #5#26< (#2':A "&8"Y&88 *)# *.W*X.WW 72&621' %&'70(#: 153 %&'712#: ()# 151$<(4%1$ 153 50'#24%1$ :#%&53 3#24B1(4B#:F&$!$C ()# X#::415 '1(24>H &= ()# 7&(#5(41$ #5#26< =&2 1 U12(#:415 %&&23451(# 4570( :(20%(02#A *)#&0(70( %15 ;# 0:#3 (& (#:( &2 3#;06 ()# %022#5( 7&(#5(41$ &2 15< 133#3 0:#2 3#=45#3 #5#26< (#2':A "&8"P#-Y" \ 72&621' (& %&'712# ()# #==4%4#5%< &= 34==#2#5( 5&5;&53#3 5#46);&2 '#()&3: =&2 ()# %022#5('&$#%0$12 :<:(#'A *)# 72&621' (4'#: ()# %&'70(1(4&5 &= #5#26< 153 62134#5( =&2 ()# B15 3#2 "11$:153 %)126#@%)126# #$#%(2&:(1(4% 7&(#5(41$ (#2': 0:456 1 :4'7$# 3&0;$# $&&7 &B#2 1$$ 45(#21%(4&5: 1530:456 ()# T#()&3 &= _46)(: 1$6&24()' (& :#$#%( 5#46);&2:A *)# 2#:0$(: %15 ;# 0:#3 (& 3#%43# ?)#()#2()# T#()&3 &= _46)(: )1: 15< Ub^ (4'# 13B15(16# =&2 ()# %022#5( :(20%(02#A d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int45(#251$ %&&23451(# =4$#A *)# &0(70( %15 ;# 0:#3 (& (#:( &2 3#;06 ()# %022#5( 7&(#5(41$ =05%(4&5: &215< 133#3 0:#2 3#=45#3 #5#26< (#2':A "#O&' \ :4'7$# 72&621' (& 72&B43# (4'456 :(1(4:(4%: =&2 #5#26< =05%(4&5 %1$$: ?4()45 ()# *+,-./ 71%816#A*+T./ 2#I042#: 15 4570( .xyz =4$# 153 &0(70(: ()# Ub^ (4'# F?1$$ %$&%8 (4'# &5 :&'# '1%)45#(<7#:H 5##3#3 (& 7#2=&2' 1 :7#%4=4#3 50';#2 &= #5#26<C 62134#5( 153 X#::415 #B1$01(4&5:A "#O&'J"

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18 "#$%&' ()*+,) -./0* 18

*)4: 72&621' 4: :4'4$12 (& *+T./C &5$< 4( &7#21(#: &B#2 34)#321$ 156$#: B41 4570( &= 1 *+,-./ .int45(#251$ %&&23451(# =4$#A +5 ()# %022#5( B#2:4&5C ()# (&2:4&51$ X#::415 4: %&'70(#3 50'#24%1$$< =2&'()# 151$<(4%1$ (&2:4&51$ 62134#5(A Z#V'N"& \ 72&621' (& 7#2=&2' B4;21(4&51$ 151$<:4: ;< %&'70(456 153 3416&51$4K456 ()# =0$$ X#::415 '1(24>F&$!$C ()# :#%&53 712(41$ 3#24B1(4B#:H =&2 15 4570( :(20%(02# F1 *+,-./ .xyz =4$#HA .46#5B1$0#: 153#46#5B#%(&2: &= ()# '1:: ?#46)(#3 X#::415 F&$!$C ()# B4;21(4&51$ =2#I0#5%4#: 153 5&2'1$ '&3#:H 12#1$:& %1$%0$1(#3A W(20%(02#: %&22#:7&53456 (& 4534B4301$ 5&2'1$ '&3# '&(4&5: %15 ;# :1B#3 45 %<%$#=4$#:A Z#V'J" *)# 72&621' c+d/V* =&2': ()# (&2:4&51$ X#::415 '1(24> B41 50'#24%1$ 34==#2#5(41(4&5 &= ()#151$<(4%1$ (&2:4&51$ 62134#5(A *)# X#::415 4: ()#5 3416&51$4K#3 153 ()# #46#5B1$0#: 12# &0(70(A *)#72#:#5( B#2:4&5 3&#: 5&( %&'70(# ()# 845#(4% #5#26< '1(24> #$#'#5(: 5##3#3 (& %&5B#2( ()# X#::41545(& ()# (&2:4&51$ 5&2'1$ '&3#:l ()4: ?4$$ ;# 133#3 45 1 $1(#2 B#2:4&5A *)# 2#I042#3 4570( 4: 1 *+,-./.int 45(#251$ %&&23451(# =4$#A Q"NP>#" *)# `*\_]+* 72&621' 4: &= 0:# 45 ()# 10(&'1(#3 =4((456 &= 7&(#5(41$ 7121'#(#2: (& %2<:(1$ :(20%(02#153 ()#2'&3<51'4% 31(1A `*\_]+* (18#: 1: 4570( :#B#21$ %2<:(1$ :(20%(02#: F*+,-./ .xyz =4$#: ?4()054( %#$$ 7121'#(#2: 45 %&22#:7&53456 8#<=4$#:H 1: ?#$$ 1: 45=&2'1(4&5 &5 $1((4%# #5#264#: 153 347&$#'&'#5(: &= '&5&'#2:A *)# %022#5( B#2:4&5 0:#: 1 5&5$45#12 $#1:( :I012#: &7(4'4K1(4&5 (& =4( B15 3#2"11$: 153 #$#%(2&:(1(4% 7121'#(#2: (& ()# 4570( 31(1A d&053: %15 ;# 7$1%#3 &5 ()# B1$0#: &= ()#&7(4'4K1(4&5 7121'#(#2:A Q"NPO#$ \ 72&621' (& 7#2=&2' =0$$ %2<:(1$ '454'4K1(4&5:A *)# 72&621' (18#: 1: 4570( ()# :(20%(02#%&&23451(#: 153 054( %#$$ $1((4%# 7121'#(#2:A +( ()#5 1$(#251(#: %<%$#: &= ,#?(&5@:(<$# &7(4'4K1(4&5 &=()# :(20%(02# 153 %&5D061(# 62134#5( &7(4'4K1(4&5 &= ()# %2<:(1$ $1((4%# 7121'#(#2:A *)4: 1$(#251(456'454'4K1(4&5 4: :$&?#2 ()15 '&2# 342#%( &7(4'4K1(4&5 &= 1$$ 7121'#(#2: 1( &5%#C ;0( 4: :&'#?)1('&2# 2&;0:( 45 &02 )153:A *)# :<''#(2< &= ()# &246451$ %2<:(1$ 4: 5&( #5=&2%#3C :& 45(#2%&5B#2:4&5 &=%2<:(1$ =&2': '1< ;# &;:#2B#3 45 :&'# %1:#:A

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19 "#$%&' ()*+,) -./0* 19

[2 N00/4/53;B (4/B/4E G+5X+;C) M 86+/@4) *)4: :#%(4&5 &= ()# '1501$ %&5(145: 1 ;24#= 3#:%247(4&5 &= #1%) &= ()# *+,-./ :(20%(02# '15470$1(4&5C6#&'#(24% %1$%0$1(4&5 153 10>4$412< 72&621':A \ 3#(14$#3 #>1'7$# :)&?456 )&? (& 205 #1%) 72&621'4: 45%$03#3 45 1 $1(#2 :#%(4&5A *)# 72&621': $4:(#3 ;#$&? 12# 1$$ 712( &= ()# '145C :077&2(#334:(24;0(4&5A \334(4&51$ :&02%# %&3# =&2 B124&0: 05:077&2(#3 72&621': %15 ;# =&053 45 ()# a&()#2342#%(&2< &= ()# *+,-./ 34:(24;0(4&5A N'?Y#Z& \ 72&621' =&2 %&5%1(#51(456 *+,-./ %<%$# =4$#: 45(& 1 :456$# 12%)4B# =4$#l 0:#=0$ =&2 :(&2456 ()#45(#2'#341(# 2#:0$(: &= '454'4K1(4&5:C 3<51'4%: (21D#%(&24#:C 153 :& &5A *)# 12%)4B# =4$# %15 ;#?24((#5 45 *+,-./ =&2'1(C &2 45 =&2'1(: 0:1;$# ?4() TW+[: +5:46)(++ F()#42 U\/ =4$# ?4() 2C)/#>(#5:4&5H &2 ?4() `T18#'&$ F()#42 =4$# =&2'1( ?4() .xmol #>(#5:4&5HA V5$< 1%(4B# 1(&': 12# ?24((#545(& ()# +5:46)(++ 153 `T18#'&$ &0(70( =4$#:C 1$$&?456 34:7$1< &= 712(41$ :(20%(02#:A *)# 72&621' %151$:& #>(21%( 4534B4301$ %<%$# =4$#: =2&' 1 *+,-./ 12%)4B#A ?J''&PN"& \ 72&621' (& %&'70(# (4'# %&22#$1(4&5 =05%(4&5: =2&' %&$$#%(4&5: &= *+,-./ %<%$# =4$#:A +(: 0:#2#I042#: 1 0:#2 :077$4#3 =05%(4&5 @+5@*+4E ()1( %&'70(#: ()# B1$0# &= ()# 72&7#2(< =&2 ?)4%) 1 (4'#%&22#$1(4&5 4: 3#:42#3 =&2 (?& 4570( :(20%(02#:A \ :1'7$# 2&0(45# 4: :077$4#3 ()1( %&'70(#: #4()#2 1B#$&%4(< 10(&%&22#$1(4&5 =05%(4&5 &2 15 *+, :(20%(021$ :07#27&:4(4&5 1: 1 =05%(4&5 &= (4'#A *)# '145;&3< &= ()# 72&621' &26154K#: ()# &B#21$$ %&'70(1(4&5 45 15 #==4%4#5( '155#2 153 &0(70(: ()# =451$(4'# %&22#$1(4&5 =05%(4&5A ?'R8"NP \ 72&621' =&2 ()# '15470$1(4&5 &= %2<:(1$ :(20%(02#: 45%$03456 45(#2%&5B#2:4&5 &= =21%(4&51$ 153U12(#:415 %&&23451(#:C 6#5#21(4&5 &= ()# 054( %#$$ =2&' 15 1:<''#(24% 054(C 153 ;04$3456 &= 1%2<:(1$$45# ;$&%8 &= :7#%4=4#3 :4K# B41 2#7$4%1(4&5 &= 1 :456$# 054( %#$$A *)# 72#:#5( B#2:4&5 %15 )153$#1;&0( JN &= ()# '&:( %&''&5 :71%# 62&07:C &()#2: %15 #1:4$< ;# 133#3 1: 5##3#3 ;< '&34=4%1(4&5 &=()# 2&0(45# )ECC*4+EA I#>>(8& \ 72&621' (& %&'70(# ()# :#$=@34==0:4&5 %&5:(15( =&2 1 )&'&6#5#&0: $4I043 B41 ()# .45:(#45 #I01(4&5A\ 72#B4&0:$< :1B#3 3<51'4%: (21D#%(&2< 4: 2#13 45 153 ZZ05=&$3#3[[ (& 2#B#2:# (215:$1(4&5 &= '&$#%0$#:30# (& 0:# &= 7#24&34% ;&05312< %&534(4&5:A *)# 1B#216# '&(4&5 &B#2 1$$ '&$#%0$#: 4: ()#5 0:#3 (&%&'70(# ()# :#$=@34==0:4&5 %&5:(15(A ")4$# ()# %022#5( 72&621' 1::0'#: 1 )&'&6#5#&0: :<:(#'C 4(:)&0$3 ;# #1:< (& '&34=< ()# %&3# (& )153$# 34==0:4&5 &= 4534B4301$ '&$#%0$#: &2 &()#2 3#:42#3 #==#%(:A I#8"-&JO \ 72&621' (& 7#2=&2' 34:(15%# 6#&'#(2< %1$%0$1(4&5: 0:456 B1241(4&5: &5 ()# %$1::4% '#(24% '1(24>'#()&3A \ 0:#2 :7#%4=4#3 50';#2 &= :(20%(02#: %&5:4:(#5( ?4() 8#<=4$# 4570( 34:(15%# 153 34)#321$2#:(2145(: 4: 6#5#21(#3A d&53 $#56() 153 156$# 2#:(2145(: 12# 3#24B#3 =2&' ()# 4570( :(20%(02#A *241$34:(15%#: ;#(?##5 ()# (24156$# :'&&()#3 $&?#2 153 077#2 ;&053: %15 ;# %)&:#5 B41 15< &= :#B#21$'#(24K1(4&5 '#()&3:C 45%$03456 1 B#2< #==#%(4B# 712(41$ 2153&' 7142?4:# :%)#'#A *)# %&22#%( 21340:&= 6<21(4&5 &= ()# :(20%(02# 4: 10(&'1(4%1$$< '145(145#3 ;< %)&&:456 (241$ 34:(15%#: =2&' e10::41534:(24;0(4&5: &= 1772&7241(# '#15 153 ?43()A *)# 454(41$ #';#33#3 :(20%(02#: %15 ;# =02()#2 2#=45#3

Page 21: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

20 "#$%&' ()*+,) -./0* 20

16145:( 1 6#&'#(24% 2#:(2145(@&5$< 7&(#5(41$ 0:456 #4()#2 1 :#I0#5(41$ '454'4K1(4&5 72&(&%&$ &2:4'0$1(#3 155#1$456A IJ?(O&$" *)# YVU^T.,* 72&621' 4: 72&B43#3 1: 1 '454'1$ $4:(456 153 3&%0'#5(1(4&5 (&&$A +( &7#21(#: &5 ()#*+,-./ :&02%# %&3#C #4()#2 4534B4301$ =4$#: &2 ()# %&'7$#(# :&02%# $4:(456 72&30%#3 ;< ()# %&''153:%247( listing.makeC (& 6#5#21(# $4:(: &= 2&0(45#:C %&''&5 ;$&%8: &2 B1$43 8#<?&23:A +5 1334(4&5C()# 72&621' )1: ()# 1;4$4(< (& &0(70( 1 =&2'1((#3 7121'#(#2 $4:(456 =2&' ()# :(153123 *+,-./7121'#(#2 =4$#:A #$"&I#" \ 72&621' (& 1$$&? 45(#21%(4B# 45:7#%(4&5 153 1$(#21(4&5 &= ()# 45(#251$ %&&23451(# 3#=454(4&5: 153B1$0#: &= 1 *+,-./ :(20%(02#A += ()# :(20%(02# 4: 1$(#2#3C ()# 0:#2 )1: ()# &7(4&5 (& ?24(# &0( 1 5#?45(#251$ %&&23451(#: =4$# 07&5 #>4(A #$"QRS \ 72&621' (& %&5B#2( 1 *+,-./ .int 45(#251$ %&&23451(#: =&2'1((#3 =4$# 45(& 1 *+,-./ .xyzU12(#:415 %&&23451(#: =&2'1((#3 =4$#A $(?P&#? \ 72&621' =&2 10(&'1(#3 ;04$3456 &= 50%$#4% 1%43 :(20%(02#:A ^7&5 45(#21%(4B# 4570( &= 1 50%$#&(43#:#I0#5%# ?4() &7(4&51$ 7)&:7)1(# ;1%8;&5# 156$#:C ()# 72&621' ;04$3: 45(#251$ 153 U12(#:415%&&23451(#:A W(153123 ;&53 $#56(): 153 156$#: 12# 0:#3A d&() Y,\ 153 /,\ :#I0#5%#: 12#:077&2(#3 1: 12# \@C d@ 153 j@=&2' :(20%(02#:A Y&0;$# )#$4>#: &= %&'7$#'#5(12< :#I0#5%# %15 ;#10(&'1(4%1$$< %&5:(20%(#3 B41 1 24643 3&%8456 &= 4534B4301$ :(2153:A GIVQRS \ 72&621' =&2 %&5B#2(456 1 d2&&8)1B#5 b2&(#45 Y1(1 d158 =4$# F1 bYd =4$#H 45(& 1 *+,-./ .xyzU12(#:415 %&&23451(# =4$#A += ()# bYd =4$# %&5(145: &5$< 72&(#45a7#7(43# 1'45& 1%43 2#:430#:C ()#5:(153123 72&(#45 %&55#%(4B4(< 4: 1::0'#3C 153 (215:=#22#3 (& ()# 2HE\ =4$#A ]&2 5&5@72&(#45 7&2(4&5: &=()# bYd =4$#C 1(&' %&55#%(4B4(< 4: 3#(#2'45#3 ;< ()# 72&621' ;1:#3 &5 45(#21(&'4% 34:(15%#:A *)#72&621' 1$:& )1: ()# 1;4$4(< (& 133 &2 2#'&B# )<32&6#5 1(&': =2&' 1 72&(#45 1: 2#I042#3 ;< ()#=&2%# =4#$3 :7#%4=4#3 302456 ()# %&'70(1(4&5A GJPN'#S& \ 72&621' =&2 %&'70(456 '&$#%0$12 7&$124K1;4$4(< =2&' 15 1(&'@;1:#3 34:(24;0(#3 '&3#$ &=7&$124K1;4$4(<A \ 31'7#3 45(#21%(4&5 '&3#$ 30# (& *)&$# 4: &7(4&51$$< B41 8#<=4$# :#((456:A \ *+,-./.xyz =4$# 4: 2#I042#3 1: 4570(A *)# &0(70( %&5:4:(: &= ()# &B#21$$ 7&$124K1;4$4(< (#5:&2 45 ()# 6$&;1$%&&23451(#: 153 4(: #46#5B1$0#:A G'O&I#" \ 72&621' =&2 =&2'1((456 153 2#50';#2456 *+,-./ =&2%# =4#$3 7121'#(#2 =4$#:A ")#5 1(&' (<7#: &2%$1::#: 12# 133#3 (& 1 7121'#(#2 =4$#C ()4: 0(4$4(< 72&621' )1: ()# 1;4$4(< (& 2#50';#2 1$$ ()# 1(&'2#%&23: :#I0#5(41$$<C 153 1$(#2 (<7# 153 %$1:: 50';#2: 45 1$$ &()#2 7121'#(#2 #5(24#: (& '145(145%&5:4:(#5%<A

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21 "#$%&' ()*+,) -./0* 21

G'J"&#$ \ 72&621' =&2 10(&'1(#3 ;04$3456 &= 7#7(43# 153 72&(#45 :(20%(02#:A ^7&5 45(#21%(4B# 4570( &= 151'45& 1%43 :#I0#5%# ?4() &7(4&51$ 7)4a7:4a&'#61a%)4 156$#:C Ya_ %)421$4(<C #(%AC ()# 72&621' ;04$3:45(#251$ 153 U12(#:415 %&&23451(#:A W(153123 ;&53 $#56(): 153 156$#: 12# 1::0'#3 =&2 ()# 7#7(43#A*)# 72&621' ?4$$ &7(4&51$$< %&5B#2( ()# :(20%(02# (& 1 %<%$4% 7#7(43#C &2 133 #4()#2 &2 ;&() ,@ 153 U@(#2'451$ %177456 62&07:A \(&' (<7# 50';#2: 12# 10(&'1(4%1$$< 1::465#3 =&2 ()# :7#%4=4#3 =&2%# =4#$3A*)# =451$ %&&23451(#: 153 1 :#I0#5%# =4$# 12# 72&30%#3 1: ()# &0(70(A 'NI#NP \ 72&621' (& %&'70(# ()# 7142 21341$ 34:(24;0(4&5 =05%(4&5 ;#(?##5 (?& 1(&' (<7#:A *)# 0:#2:077$4#: ()# (?& 1(&' 51'#: =&2 ?)4%) ()# 34:(24;0(4&5 =05%(4&5 4: (& ;# %&'70(#3C 153 ()# ?43() &=()# 34:(15%# ;45: =&2 31(1 151$<:4:A \ 72#B4&0:$< :1B#3 3<51'4%: (21D#%(&2< 4: 2#13 1: 4570(A *)# 21?21341$ 34:(24;0(4&5 153 1 :7$45# :'&&()#3 B#2:4&5 12# ()#5 &0(70( =2&' K#2& (& 1 34:(15%# #I01$ (&)1$= ()# '454'0' 7#24&34% ;&> 34'#5:4&5A *)# 1(&' 51'#: 12# '1(%)#3 (& ()# 1(&' 51'# %&$0'5 &=()# *+,-./ 2HE\ =4$#C 453#7#53#5( &= 1(&' (<7#A 8GN?&>#PP \ 72&621' (& %&'70(# ()# B&$0'# 153 :02=1%# 12#1: &= '&$#%0$#:A ^:456 1 '&34=4#3 B#2:4&5 &=U&55&$$<[: &246451$ 151$<(4%1$ 3#:%247(4&5 &= ()# '&$#%0$12 :02=1%#C ()# 72&621' 3#(#2'45#: #4()#2 ()#B15 3#2 "11$:C 1%%#::4;$# &2 '&$#%0$12 F%&5(1%(a2##5(215(H B&$0'# 153 :02=1%# 12#1A d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bVW W<;<$ TV_J =4$# 45(& 1 *+,-./ .xyz U12(#:415 %&&23451(# =4$#A*)# %022#5( B#2:4&5 &= ()# 72&621' 3&#: 5&( 1((#'7( (& %&5B#2( ()# W<;<$ 1(&': (<7#: 45(& ()# 1%(4B#*+,-./ =&2%# =4#$3 (<7#:C &$!$C 1$$ 1(&': (<7#: 12# :4'7$< :#( (& K#2&A

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22 "#$%&' ()*+,) -./0* 22

QRS&I#" \ 72&621' ()1( 7#2=&2': 153 &= 1 B124#(< &= '15470$1(4&5: &5 15 4570( *+,-./ A><K U12(#:415%&&23451(#: =&2'1((#3 =4$#A *)# 72#:#5( B#2:4&5 &= ()# 72&621' )1: ()# =&$$&?456 45(#21%(4B#$<:#$#%(1;$# &7(4&5:E FGH V==:#( ()# ,0';#2: &= ()# U022#5( \(&':C FJH Y#$#(4&5 &= +534B4301$ W7#%4=4#3\(&':C FLH Y#$#(4&5 &= W7#%4=4#3 *<7#: &= \(&':C FMH Y#$#(4&5 &= \(&': &0(:43# U0(&== /156#C FNH+5:#2(4&5 &= +534B4301$ W7#%4=4#3 \(&':C FOH /#7$1%# V$3 \(&' *<7# ?4() 1 ,#? *<7#C FPH \::465U&55#%(4B4(4#: ;1:#3 &5 Y4:(15%#C FQH U&5B#2( ^54(: =2&' d&)2: (& \56:(2&':C FRH +5B#2( ()20 V24645(& 64B# T422&2 +'16#C FGSH *215:$1(# U#5(#2 &= T1:: (& ()# V24645C FGGH *215:$1(# 1 W7#%4=4#3 \(&' (&()# V24645C FGJH *215:$1(# 153 /&(1(# (& +5#2(41$ ]21'#C FGLH T&B# (& W7#%4=4#3 /4643 d&3<U&&23451(#:C FGMH U2#1(# 153 ]4$$ 1 b#24&34% d&05312< d&>C FGNH W&18 U022#5( T&$#%0$# 45 d&> &=W&$B#5(C FGOH \77#53 15&()#2 `kj =4$# (& U022#5( V5#A +5 '&:( %1:#:C '0$(47$< &7(4&5: %15 ;# 177$4#3:#I0#5(41$$< (& 15 4570( =4$#A \( ()# #53 &= ()# #34(456 72&%#::C 1 5#? B#2:4&5 &= ()# &246451$ .xyz =4$#4: ?24((#5 1: &0(70(A QRS#$" \ 72&621' =&2 %&5B#2(456 1 *+,-./ .xyz U12(#:415 %&&23451(# =&2'1((#3 =4$# 45(& 1 *+,-./ .int45(#251$ %&&23451(#: =&2'1((#3 =4$#A *)4: 72&621' %15 &7(4&51$$< 0:# 15 #>4:(456 45(#251$ %&&23451(#:=4$# 1: 1 (#'7$1(# =&2 ()# %&55#%(4B4(< 45=&2'1(4&5A QRSGIV \ 72&621' =&2 %&5B#2(456 1 *+,-./ .xyz U12(#:415 %&&23451(# =4$# 45(& 1 d2&&8)1B#5 b2&(#45 Y1(1d158 =4$# F1 bYd =4$#HA QRS8RVRP \ 72&621' (& %&5B#2( 1 *+,-./ .xyz U12(#:415 %&&23451(#: =4$# 45(& 1 */+bVW W<;<$ TV_J =4$#A *)#%&5B#2:4&5 6#5#21(#: &5$< ()# TV_.U^_.C \*VTC dV,Y 153 W^dW*/^U*^/. 2#%&23 (<7# 45 ()#TV_J =4$#A e#5#24% W<;<$ 1(&' (<7#: 12# 0:#3 45 '&:( %1:#:l ?)4$# ()#:# 1(&' (<7#: '1< 5##3 (& ;#1$(#2#3 45 :&'# %1:#:C W<;<$ 4: 0:01$$< 1;$# (& %&22#%($< 34:7$1< ()# 2#:0$(456 TV_J =4$#A

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23 "#$%&' ()*+,) -./0* 23

]2 8@*6/;B >*;4.+*) M O*4750) *)4: :#%(4&5 %&5(145: :#B#21$ :)&2( 5&(#: ?4() =02()#2 45=&2'1(4&5 1;&0( *+,-./ '#()&3&$&6<C1$6&24()': 153 :7#%41$ =#1(02#:A *)# 34:%0::4&5 4: 5&( 45(#53#3 (& ;# #>)10:(4B#C ;0( 21()#2 (& #>7$145=#1(02#: 153 %171;4$4(4#: :& ()1( 0:#2: %15 '18# '&2# %&'7$#(# 0:# &= ()# 71%816#A >/B* Z*+)/53 $.CA*+) \$$ &= ()# 4570( 153 &0(70( =4$# (<7#: 2&0(45#$< 0:#3 ;< ()# *+,-./ 71%816# 12# %171;$# &= #>4:(456 1:'0$(47$# B#2:4&5: &= 1 ;1:# =4$# 51'#A ]&2 #>1'7$#C 4= ()# 72&621' `kj+,* 4: 205 &5 ()# 4570( =4$#molecule.xyzC ()# &0(70( 45(#251$ %&&23451(#: =4$# ?4$$ ;# ?24((#5 (& molecule.intA += 1 =4$#51'#3 molecule.int 4: 1$2#13< 72#:#5( 724&2 (& 2055456 `kj+,*C ()#5 ()# &0(70( ?4$$ ;# ?24((#545:(#13 (& ()# 5#>( 1B14$1;$# B#2:4&5C 45 ()4: %1:# (& molecule.int_2A +5 =1%( ()# &0(70( 4: 6#5#21$$<?24((#5 (& ()# $&?#:( 1B14$1;$#C 72#B4&0:$< 050:#3 B#2:4&5 50';#2 Fmolecule.int_3Cmolecule.int_4C !"#AC 1: )46) 1: 5##3#3HA +570( =4$# 51'#: 12# )153$#3 :4'4$12$<A += :4'7$<molecule &2 molecule.xyz 4: #5(#2#3 1: ()# 4570( =4$# 51'# 07&5 2055456 `kj+,*C ()#5 ()#)46)#:( B#2:4&5 &= molecule.xyz ?4$$ ;# 0:#3 1: ()# 1%(01$ 4570( =4$#A += 15 #>7$4%4( B#2:4&5 50';#24: #5(#2#3 1: 712( &= ()# 4570( =4$# 51'#C ()#5 ()# :7#%4=4#3 B#2:4&5 ?4$$ ;# 0:#3 1: ()# 4570( =4$#A *)# B#2:4&5 50';#2 :%)#'# ?4$$ ;# 2#%&654K#3 ;< '15< &$3#2 0:#2: 1: 1 )&$3&B#2 =2&' ()# cTW&24645: &= ()# =42:( B#2:4&5 &= ()# *+,-./ :&=(?12#A +( )1: ;##5 '145(145#3 (& '18# 4( #1:4#2 (& %)145(&6#()#2 '0$(47$# %1$%0$1(4&5: ()1( '1< %2#1(# :#B#21$ 5#? B#2:4&5: &= 1 64B#5 =4$#C 153 (& '18# 4('&2# 34==4%0$( (& 1%%43#5($< &B#2?24(# 1 5##3#3 2#:0$(A *)# B#2:4&5 :%)#'# 177$4#: (& '&:( 0:#: &='15< %&''&5 *+,-./ =4$# (<7#: :0%) 1: .xyzC .intC .keyC .arcA +( 4: 5&( 0:#3 ?)#5 15&B#2?24((#5 =4$# ZZ0731(#[[ 4: &;B4&0:$< ()# %&22#%( 1%(4&5C =&2 #>1'7$#C ()# .dyn '&$#%0$12 3<51'4%:2#:(12( =4$#:A ]&2 ()&:# 0:#2: ?)& 72#=#2 1 '&2# ^54>@$48# &7#21(4&5C 153 3& 5&( 3#:42# 0:# &= =4$#B#2:4&5:C ()4: =#1(02# %15 ;# (025#3 &== ;< 133456 ()# ,Vc./W+V, 8#<?&23 (& ()# 177$4%1;$# *+,-./8#<=4$#A *)# B#2:4&5 :%)#'# 1: 4'7$#'#5(#3 45 *+,-./ 3&#: )1B# (?& 85&?5 I0428:A ]42:(C 4( ;#%&'#:4'7&::4;$# (& 342#%($< 0:# ()# &246451$ 05B#2:4&5#3 %&7< &= 1 =4$# 4= )46)#2 B#2:4&5 50';#2: 12#72#:#5(A ]&2 #>1'7$#C 4= ()# =4$#: molecule.xyz 153 molecule.xyz_2 ;&() #>4:(C ()#5molecule.xyz %155&( ;# 1%%#::#3 1: 4570( ;< `kj+,*A += molecule.xyz 4: #5(#2#3 45 2#:7&5:# (&()# 4570( =4$# 51'# I0#:(4&5C molecule.xyz_2 F&2 ()# )46)#:( 72#:#5( B#2:4&5 50';#2H ?4$$ ;#0:#3 1: 4570(A *)# &5$< ?&2812&053 4: (& %&7< &2 2#51'# molecule.xyz (& :&'#()456 #$:#C :1<molecule.newC 153 0:# ()1( 51'# =&2 ()# 4570( =4$#A W#%&53$<C '4::456 B#2:4&5 50';#2: 1$?1<: #53()# :#12%) =&2 ()# )46)#:( 1B14$1;$# B#2:4&5 50';#2l &$!$C B#2:4&5 50';#2: 12# 1::0'#3 (& ;#%&5:#%0(4B# 153 ?4()&0( 617:A ]&2 #>1'7$#C 4= molecule.xyzC molecule.xyz_2 153molecule.xyz_4 12# 72#:#5(C ;0( 5&( molecule.xyz_3C ()#5 molecule.xyz_2 ?4$$ ;# 0:#3 1:4570( (& `kj+,* 4= molecule 4: 64B#5 1: ()# 4570( =4$# 51'#A W4'4$12$<C &0(70( =4$#: ?4$$ =4$$ 45 617: 4515 1$2#13< #>4:(456 :#( &= =4$# B#2:4&5:A ?5CC;30 P/3* J@4/53) T15< &7#21(456 :<:(#': &2 %&'74$#2 :077$4#3@$4;2124#: '18# 1B14$1;$# :&'#()456 $48# ()# :(153123^54> 4126% 153 6#(126 2&0(45#: =&2 %17(02456 %&''153 $45# 1260'#5(:A V5 ()#:# '1%)45#: '&:( &=()# *+,-./ 72&621': :077&2( 1 :#$#%(4&5 &= %&''153 $45# 1260'#5(: 153 &7(4&5:A *)# 51'# &= ()#8#<=4$# (& ;# 0:#3 =&2 1 %1$%0$1(4&5 4: 2#13 =2&' ()# 1260'#5( =&$$&?456 1 -k F#I04B1$#5( (& #4()#2 -key &2 -keyfileC %1:# 45:#5:4(4B#H %&''153 $45# 1260'#5(A ,&(# ()1( ()# -k &7(4&5: %15 177#1215<?)#2# &5 ()# %&''153 $45# =&$$&?456 ()# #>#%0(1;$# 51'#A \$$ &()#2 %&''153 $45# 1260'#5(:C#>%#7(456 ()# 51'# &= ()# #>#%0(1;$# 72&621' 4(:#$=C 12# (2#1(#3 1: 4570( 1260'#5(:A *)#:# 4570(

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24 "#$%&' ()*+,) -./0* 24

1260'#5(: 12# 2#13 =2&' $#=( (& 246)( 153 45(#272#(#3 45 &23#2 1: ()# 15:?#2: (& I0#:(4&5: ()1( ?&0$3;# 1:8#3 ;< 15 45(#21%(4B# 45B&%1(4&5 &= ()# :1'# *+,-./ 72&621'A ]&2 #>1'7$#C ()# =&$$&?456%&''153 $45#E newton molecule -k test a a 0.01 ?4$$ 45B&8# ()# ,."*V, 72&621' &5 ()# :(20%(02# =4$# molecule.xyz 0:456 ()# 8#<=4$# test.keyC10(&'1(4% '&3# [a] =&2 ;&() ()# '#()&3 153 72#%&534(4&5456C 153 0.01 =&2 ()# /TW 62134#5( 7#21(&' (#2'451(4&5 %24(#24&5 45 8%1$a'&$#amA b2&B43#3 ()1( ()# =&2%# =4#$3 7121'#(#2 :#(C !"#A 4:72&B43#3 45 test.keyC ()# 1;&B# %&'701(4&5 ?4$$ 72&%#3# 342#%($< =2&' ()# %&''153 $45#45B&%1(4&5 ?4()&0( =02()#2 45(#21%(4B# 4570(A ()* 53 O/6+5)594 </305:) 8E)4*C) *+,-./ #>#%0(1;$#: =&2 T4%2&:&=( bU :<:(#': :)&0$3 ;# 205 =2&' ()# YVW &2 U&''153 b2&'7(?453&? 1B14$1;$# 053#2 ()# B124&0: B#2:4&5: &= "453&?:A *)# *+,-./ #>#%0(1;$# 342#%(&2< :)&0$3;# 133#3 (& <&02 71() B41 ()# 10(&#>#%A;1( =4$# &2 :4'4$12A += 0:456 "45JSSS &2 `bC :#( ()# 50';#2 &=:%2&$$1;$# $45#: 45 ()# U&''153 b2&'7( ?453&? (& 1 B#2< $126# 50';#2C :& ()1( <&0 ?4$$ ;# 1;$# (&45:7#%( :%2##5 &0(70( 1=(#2 4( =$4#: ;<A "4() "45RNaRQC ()#:# U&''153 b2&'7( ?453&?: 12# &5$<1;$# (& :%2&$$ 1 :'1$$ 50';#2 &= $45#: F(+(-&./0HC :& *+,-./ 72&621': ?)4%) 6#5#21(# $126# 1'&05(:&= :%2##5 &0(70( :)&0$3 ;# 205 :0%) ()1( &0(70( ?4$$ ;# 2#342#%(#3 (& 1 =4$#A *)4: %15 ;# 1%%&'7$4:)#3;< 2055456 ()# *+,-./ 72&621' 45 ;1(%) '&3# &2 ;< 0:456 ()# ^54>@$48# &0(70( 2#342#%(4&5 ;04$345(& YVWA ]&2 #>1'7$#C ()# %&''153E dynamic < molecule.inp > molecule.log ?4$$ 205 ()# *+,-./ 3<51'4% 72&621' (18456 4570( =2&' ()# =4$# molecule.inp 153 :#53456 &0(70((& molecule.logA \$:& 5&(# ()1( %&''153 $45# &7(4&5: 1: 3#:%24;#3 1;&B# 12# 1B14$1;$# ?4() ()#34:(24;0(#3 *+,-./ #>#%0(1;$#:A \5&()#2 1$(#251(4B#C 712(4%0$12$< 1((21%(4B# (& ()&:# 1$2#13< =1'4$412 ?4() _450> &2 ^54> :<:(#':C 4: (&3&?5$&13 ()# U<6?45 71%816# %022#5($< 1B14$1;$# 053#2 eb_ $4%#5:# =2&' ()# :4(#http://source.redhat.com/cygwin/A *)# %<6?45 (&&$: 72&B43# '15< &= ()# e,^ (&&$:C45%$03456 1 ;1:) :)#$$ ?453&? =2&' ?)4%) *+,-./ 72&621': %15 ;# 205A += ()# 34:(24;0(#3 *+,-./ #>#%0(1;$#: 12# 205 342#%($< =2&' "453&?: ;< 3&0;$# %$4%8456 &5 ()#72&621' 4%&5C ()#5 ()# 72&621' ?4$$ 205 45 4(: &?5 ?453&?A X&?#B#2C 07&5 %&'7$#(4&5 &= ()#72&621' ()# ?453&? ?4$$ %$&:# 153 :%2##5 &0(70( ?4$$ ;# $&:(A \5< &0(70( =4$#: ?24((#5 ;< ()#72&621' ?4$$C &= %&02:#C :(4$$ ;# 1B14$1;$#A *)# "453&?: ;#)1B4&2 %15 ;# %)156#3 ;< 133456 ()# .`+*@b\^W. 8#<?&23 (& ()# 8#<=4$#A *)4: 8#<?&23 %10:#: ()# #>#%0(1(4&5 ?453&? (& 2#'145 &7#5 1=(#2%&'7$#(4&5 05(4$ ()# ZZ.5(#2[[ 8#< 4: 72#::#3A ()* 53 N@@B* O;6/345)7 8E)4*C) *)# *+,-./ #>#%0(1;$#: 12# ;#:( 205 053#2 T1% VW ` 45 1 ZZ(#2'451$[[ 177$4%1(4&5 ?453&? ?)#2#;#)1B4&2 4: 43#5(4%1$ (& ()1( 45 1 _450> (#2'451$A \( 72#:#5( ()# ]&2%# ]4#$3 .>7$&2#2 e^+ =&2 *+,-./?4$$ 5&( 205 &5 VW ` :45%# ()# 2#I042#3 g1B1LY #>(#5:4&5: 12# 051B14$1;$#A "# )1B# 34:%&5(450#3 1%(4B# :077&2( =&2 T1% VW RA X&?#B#2C ()# VW R B#2:4&5: &= *+,-./ 12# 205 ;<3&0;$# %$4%8456 &5 1 72&621' 4%&5A *)# 72&621' ?4$$ 205 45 4(: &?5 ?453&? (& ?)4%) 1$$ ZZ:%2##5[[&0(70( ?4$$ ;# 342#%(#3A ^7&5 72&621' (#2'451(4&5 ()# ?453&? ?4$$ 2#'145 1%(4B# 7#53456 1 =451$2#(025 #5(#2#3 ;< ()# 0:#2 ?)4%) ?4$$ %$&:# ()# ?453&?A b24&2 (& ()# =451$ 2#(025C ()# %&5(#5(: &= ()#:%2##5 ?453&? %15 ;# :1B#3 (& 1 =4$# B41 ()# %$47;&123 =&2 7#2'15#5( :(&216#A ,&(# ()1( T1%45(&:)

Page 26: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

25 "#$%&' ()*+,) -./0* 25

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l 153 #B#5 4= ?# %&0$3C 1 62#1( '15< &= ()#7121'#(#2: ?&0$3 ;# 5#12$< 43#5(4%1$A *?& :&'#?)1( %&'7$4'#5(12< :&$0(4&5: 12# 1B14$1;$# (&)153$# ()# 72&$4=#21(4&5 &= 7121'#(#2:A *)# =42:( 4: (& :7#%4=< ()# '&$#%0$12 =216'#5(: (& ?)4%) 164B#5 7121'#(#2 %15 ;# 177$4#3 45 (#2': &= 1 %)#'4%1$ :(20%(02# $156016#C WT+_.W :(2456: =&2#>1'7$#A W&'# %&''#2%41$ :<:(#':C :0%) 1: ()# */+b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a451%(4B# 34B4:4&5 ;< %&'70(456 1$$ #5#26#(4% 45(#21%(4&5: 45B&$B456 1( $#1:( &5# 1%(4B# 1(&'l &$!$C15< 45(#21%(4&5 ?)&:# #5#26< %15 %)156# ?4() ()# '&(4&5 &= &5# &2 '&2# 1%(4B# 1(&': 4: %&'70(#3A *)# :#%&53 '#()&3 =&2 712(41$ :(20%(02# %&'70(1(4&5 45B&$B#: 34B43456 ()# &246451$ :<:(#' 45(& 1 :#(&= 1(&' /*452,A \: ;#=&2#C ()# 62&07: %15 ;# :7#%4=4#3 B41 1772&7241(# 8#<?&23:A *)# %022#5( *+,-./4'7$#'#5(1(4&5 1$$&?: :7#%4=4%1(4&5 &= 07 (& 1 '1>4'0' 50';#2 &= 62&07: 1: 64B#5 45 ()# sizes.i34'#5:4&5456 =4$#A *)# 62&07: '0:( ;# 34:D&45( 45 ()1( 5& 1(&' %15 ;#$&56 (& '&2# ()15 &5# 62&07A]02()#2 8#<?&23: 1$$&? ()# 0:#2 (& :7#%4=< ?)4%) 45(21@ 153 45(#262&07 :#(: &= #5#26#(4% 45(#21%(4&5:?4$$ %&5(24;0(# (& ()# (&(1$ =&2%# =4#$3 #5#26<A "#46)(: =&2 #1%) :#( &= 45(#21%(4&5: 45 ()# (&(1$ #5#26<%15 1$:& ;# 4570(A \ :7#%4=4% #5#26#(4% 45(#21%(4&5 4: 1::465#3 (& 1 712(4%0$12 45(21@ &2 45(#262&07 :#( 4=1$$ ()# 1(&': 45B&$B#3 45 ()# 45(#21%(4&5 ;#$&56 (& ()# 62&07 F45(21@H &2 7142 &= 62&07: F45(#2@HA+5(#21%(4&5: 45B&$B456 1(&': =2&' '&2# ()15 (?& 62&07: 12# 5&( %&'70(#3A ,&(# ()1( ()# 62&07: '#()&3 153 1%(4B#a451%(4B# '#()&3 0:# 34==#2#5( 1::465'#5( 72&%#302#: =&24534B4301$ 45(#21%(4&5:A *)# 1%(4B#a451%(4B# :%)#'# 4: 45(#53#3 =&2 :4(01(4&5: ?)#2# &5$< 1 7&2(4&5 &=1 :<:(#' 4: 1$$&?#3 (& '&B#C ;0( ()# (&(1$ #5#26< 5##3: (& 2#=$#%( ()# 72#:#5%# &= ()# 2#'145456451%(4B# 7&2(4&5 &= ()# :(20%(02#A *)# 62&07: '#()&3 4: 45(#53#3 =&2 0:# 45 24643 ;&3< %1$%0$1(4&5:C153 4: 5##3#3 =&2 %#2(145 8453: &= =2## #5#26< 7#2(02;1(4&5 %1$%0$1(4&5:A O*4;B ?5C@B*H*) ;30 YE@*+^;B*34 8@*6/*)

Page 27: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

26 "#$%&' ()*+,) -./0* 26

*)# 34:(24;0(4&5 B#2:4&5 &= *+,-./ %&'#: 34'#5:4&5#3 =&2 1 '1>4'0' 1(&'4% %&&23451(4&5 50';#2&= =&02 1: 5##3#3 =&2 :(153123 &26154% %&'7&053:A +5 &23#2 (& 0:# *+,-./ =&2 %1$%0$1(4&5: &5:7#%4#: %&5(145456 )46)#2 %&&23451(4&5 50';#2:C :4'7$< %)156# ()# B1$0# &= ()# 7121'#(#2 maxval45 ()# '1:(#2 34'#5:4&5456 =4$# sizes.i 153 2#;04$( ()# 71%816#A ,&(# ()1( ()4: 7121'#(#2 B1$0#:)&0$3 5&( ;# :#( $126#2 ()15 5#%#::12< :45%# $126# B1$0#: %15 :$&? ()# #>#%0(4&5 &= 7&2(4&5: &= :&'#*+,-./ 72&621':A T15< '&$#%0$12 '#%)154%: 1772&1%)#: (& 45&26154% 153 '#(1$ :(20%(02#: 0:# 15 156$# ;#53456 (#2'?)4%) 4: :&=(#2 ()15 ()# 0:01$ )12'&54% ;#53456 7&(#5(41$A *+,-./ 4'7$#'#5(: 1 ]&024#2 ;#53456(#2' :4'4$12 (& ()1( 0:#3 ;< ()# _1534: 62&07[: WX\b.W =&2%# =4#$3A *)# 7121'#(#2: =&2 :7#%4=4%]&024#2 156$# (#2': 12# :077$4#3 B41 ()# \,e_.] 7121'#(#2 153 8#<?&23 =&2'1(A ,&(# ()1( 1 ]&024#2(#2' ?4$$ &5$< ;# 0:#3 =&2 1 712(4%0$12 156$# 4= 1 %&22#:7&53456 )12'&54% 156$# (#2' 4: 5&( 72#:#5( 45()# 7121'#(#2 =4$#A "# 12# 5&? %&$$1;&21(456 ?4() \53#2: U12$::&5[: 62&07 45 W(A _&04: (& 133 )4: (215:4(4&5 '#(1$ $46153=4#$3 (#2' (& *+,-./A W077&2( =&2 ()4: 1334(4&51$ 7&(#5(41$ =05%(4&51$ =&2' 4: 1$2#13< 45 ()# *+,-./:&02%# %&3#C 153 ?# 7$15 (& 2#$#1:# ()# #5#26< 2&0(45#: 1=(#2 =02()#2 (#:(456 153 7121'#(#24K1(4&5A $*/X7A5+ O*4750) 95+ $53A530*0 "*+C) +5 1334(4&5 (& :(153123 3&0;$# $&&7 '#()&3:C ()# T#()&3 &= _46)(: 4: 1B14$1;$# (& :7##3 5#46);&2:#12%)456A *)4: '#()&3 ;1:#3 &5 (18456 45(#2:#%(4&5: &= :&2(#3 1(&' $4:(: %15 ;# '0%) =1:(#2 =&272&;$#': ?)#2# ()# %0(&== 34:(15%# 4: :4654=4%15($< :'1$$#2 ()15 )1$= ()# '1>4'1$ %#$$ 34'#5:4&5A *)#%022#5( B#2:4&5 &= *+,-./ 3&#: 5&( 4'7$#'#5( ()# ZZ5#46);&2 $4:([[ :%)#'#: %&''&5 (& '15< &()#2:4'0$1(4&5 71%816#:A G*+/50/6 V5.30;+E ?530/4/53) d&() :7)#24%1$ %0(&== 4'16#: &2 2#7$4%1(#: &= 1 %#$$ 12# :077&2(#3 ;< 1$$ *+,-./ 72&621': ()1(4'7$#'#5( 7#24&34% ;&05312< %&534(4&5:A ")#5#B#2 ()# %0(&== 34:(15%# 4: (&& $126# =&2 ()# '454'0'4'16# (& ;# ()# &5$< 2#$#B15( 5#46);&2 F&$!$C )1$= ()# '454'0' ;&> 34'#5:4&5 =&2 &2()&6&51$ %#$$:HC*+,-./ ?4$$ 10(&'1(4%1$$< :?4(%) =2&' ()# 4'16# =&2'1$4:' (& 0:# &= 2#7$4%1(#3 %#$$:A I/)4;36* ?.4599) 95+ &3*+XE >.364/53) b&$<5&'41$ #5#26< :?4(%)456 &B#2 1 ?453&? 4: 0:#3 =&2 (#2': ?)&:# #5#26< 4: :'1$$ 5#12 ()# %0(&==34:(15%#A ]&2 '&5&7&$# #$#%(2&:(1(4% 45(#21%(4&5:C ?)4%) 12# I04(# $126# 45 (<74%1$ %0(&== 2156#:C 1 (?&7&$<5&'41$ '0$(47$4%1(4B#@1334(4B# :)4=(#3 #5#26< :?4(%) 054I0# (& *+,-./ 4: 177$4#3A *)# *+,-./'#()&3 4: :4'4$12 45 :7424( (& ()# =&2%# :?4(%)456 '#()&3: &= W(#45;1%) 153 d2&&8:C 6$ 74+25"$ 78!+$C#$C OOP@OQL FGRRMHA ")4$# ()# 712(4%$# '#:) .?1$3 '#()&3 4: 72#=#22#3 ?)#5 7#24&34% ;&05312<%&534(4&5: 12# 72#:#5(C *+,-./[: :)4=(#3 #5#26< :?4(%) ?4() 2#1:&51;$# :?4(%)456 ?453&?: 4: I04(#:1(4:=1%(&2< =&2 '&:( 2&0(45# '&3#$456 72&;$#':A *)# :)4=(#3 #5#26< :?4(%) '454'4K#: ()#7#2(02;1(4&5 &= ()# #5#26< 153 ()# 62134#5( 1( ()# %0(&== (& 1%%#7(1;$# $#B#$:A b2&;$#': :)&0$3 124:#&5$< 4= ()# 72&7#2(< <&0 ?4:) (& '&54(&2 4: 85&?5 (& 2#I042# #>7$4%4( 45%$0:4&5 &= $&56 2156#%&'7&5#5(: F&$!$C %1$%0$1(4&5 &= ()# 34#$#%(24% %&5:(15(C !"#AHA &:;B0 8.CC;4/53) O*4750) *+,-./ %&5(145: 1 B#2:4&5: &= ()# .?1$3 :0''1(4&5 (#%)54I0# =&2 45%$0:4&5 &= $&56 2156##$#%(2&:(1(4% 45(#21%(4&5: B41 7#24&34% ;&053124#:A *)# 712(4%$# '#:) .?1$3 FbT.H '#()&3 4:1B14$1;$# =&2 :4'7$# %)126#@%)126# 7&(#5(41$:C ?)4$# 2#60$12 .?1$3 4: 72&B43#3 =&2 7&$124K1;$# 1(&'4%'0$(47&$# 45(#21%(4&5:A *)# 1%%021%< 153 :7##3 &= ()# 2#60$12 153 bT. %1$%0$1(4&5: 4: 3#7#53#5( &5

Page 28: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

27 "#$%&' ()*+,) -./0* 27

:#B#21$ 45(#22#$1(#3 7121'#(#2:A ]&2 ;&() '#()&3:C ()# .?1$3 %&#==4%4#5( 153 2#1$@:71%# %0(&==34:(15%# '0:( ;# :#( (& 2#1:&51;$# 153 %&'7$#'#5(12< B1$0#:A \334(4&51$ %&5(2&$ B1241;$#: =&22#60$12 .?1$3 12# ()# =21%(4&51$ %&B#216# 153 50';#2 &= B#%(&2: 0:#3 45 2#%472&%1$ :71%#A ]&2 bT.()# 1334(4&51$ %&5(2&$ B1$0#: 12# ()# d@:7$45# &23#2 153 %)126# 6243 34'#5:4&5:A U&'7$#(# %&5(2&$&B#2 1$$ &= ()#:# 7121'#(#2: 4: 1B14$1;$# B41 ()# *+,-./ 8#<=4$# '#%)154:'A d< 3#=10$( *+,-./ ?4$$:#$#%( 1 :#( &= 7121'#(#2: ?)4%) 72&B43# 1 2#1:&51;$# %&'72&'4:# ;#(?##5 1%%021%< 153 :7##3C ;0(()#:# :)&0$3 ;# %)#%8#3 153 '&34=4#3 1: 5#%#::12< =&2 #1%) 4534B4301$ :<:(#'A ?534/3..C 85B^;4/53 O50*B) W#B#21$ 1$(#251(4B# %&5(4500' :&$B1(4&5 1$6&24()': 12# %&5(145#3 ?4()45 *+,-./A \$$ &= ()#:# 12#1%%#::#3 B41 ()# WV_c\*. 8#<?&23 153 4(: '&34=4#2:A *?& :4'7$# :02=1%# 12#1 '#()&3: 12#4'7$#'#5(#3E ()# \Wb '#()&3 &= .4:#5;#26 153 T%_1%)$15C 153 ()# W\W\ '#()&3 =2&' W%)#2161[:62&07A *)#:# '#()&3: 12# 177$4%1;$# (& 15< &= ()# :(153123 *+,-./ =&2%# =4#$3:A c124&0: :%)#'#:;1:#3 &5 ()# 6#5#21$4K#3 d&25 =&2'1$4:' 12# 1$:& 1B14$1;$#E ()# &246451$ GRRS 50'#24%1$ ZZV54&5@:)#$$[[ edaW\ '#()&3 =2&' W(4$$[: 62&07C ()# GRRP 151$<(4%1$ edaW\ '#()&3 1$:& 30# (& W(4$$C 17142?4:# 3#:%2##5456 1$6&24()' &246451$$< 72&7&:#3 ;< X1?845:C U21'#2 153 *20)$12C 153 ()#151$<(4%1$ %&5(4500' :&$B1(4&5 F\U.H '#()&3 &= W%)1#=#2 153 -127$0:A \( 72#:#5(C ()# 6#5#21$4K#3d&25 '#()&3: :)&0$3 &5$< ;# 0:#3 ?4() =&2%# =4#$3: )1B456 :4'7$# 712(41$ %)126# #$#%(2&:(1(4%45(#21%(4&5:A W&'# =02()#2 %&''#5(: 12# 45 &23#2 2#6123456 ()# edaW\@:(<$# :&$B1(4&5 '&3#$:A *)# ZZV54&5@:)#$$[['&3#$ 4: 72&B43#3 '&:($< =&2 %&'7124:&5 7027&:#:A +( 0:#: 15 #>1%(C 151$<(4%1$ :02=1%# 12#1%1$%0$1(4&5 =&2 ()# %1B4(< (#2' 153 ()# 50'#24%1$ :%)#'# 3#:%24;#3 45 ()# &246451$ 717#2 =&2 ()#7&$124K1(4&5 (#2'A *)4: '#()&3 4: B#2< :$&?C #:7#%41$$< =&2 $126# :<:(#':C 153 3&#: 5&( %&5(145 ()#%&5(24;0(4&5 &= ()# d&25 21344 %)145 20$# (#2' (& ()# =42:( 3#24B1(4B#:A "# 2#%&''#53 4(: 0:# &5$< =&2:456$#@7&45( #5#26< %1$%0$1(4&5:A *)# &()#2 edaW\ '#()&3: FZZ151$<(4%1$[[ W(4$$C X@U@* 7142?4:#3#:%2##5456C 153 \U.H 0:# 15 1772&>4'1(# %1B4(< (#2' ;1:#3 &5 d&25 21344C 153 3& %&5(145 =0$$<%&22#%( 3#24B1(4B#: 45%$03456 ()# d&25 21344 %)145 20$# %&5(24;0(4&5A *)#:# '#()&3: 1$$ :%1$# 45 Ub^(4'# ?4() ()# :I012# &= ()# :4K# &= ()# :<:(#'C 153 %15 ;# 0:#3 ?4() '454'4K1(4&5C '&$#%0$123<51'4%: 153 $126# '&$#%0$#:A ]451$$<C ?# 5&(# ()1( ()# \U. :&$B1(4&5 '&3#$ :)&0$3 5&( ;# 0:#3 ?4() ()# %022#5( B#2:4&5 &= *+,-./A*)# 1$6&24()' 4: =0$$< 4'7$#'#5(#3 45 ()# :&02%# %&3#C ;0( 7121'#(#24K1(4&5 4: 5&( %&'7$#(#A \: &=$1(# JSSSC 7121'#(#2 B1$0#: 12# &5$< 1B14$1;$# 45 ()# $4(#21(02# =&2 0:# &= \U. ?4() ()# &$3#2UX\/TTGR =&2%# =4#$3A "# 7$15 (& 3#B#$&7 B1$0#: =&2 0:# ?4() '&2# '&3#25 1$$@1(&' =&2%# =4#$3:C153 ()#:# ?4$$ ;# 45%&27&21(#3 45(& *+,-./ :&'#(4'# 45 ()# =0(02#A G5B;+/\;AB* O.B4/@5B* &B*64+5)4;4/6) \(&'4% '0$(47&$# #$#%(2&:(1(4%: ()2&06) ()# I013207&$# '&'#5( 4: :077&2(#3 ;< ()# %022#5( B#2:4&5&= *+,-./C 1: 4: #4()#2 '0(01$ &2 342#%( 347&$# 7&$124K1(4&5A .?1$3 :0''1(4&5 4: 1B14$1;$# =&245%$0:4&5 &= $&56 2156# 45(#21%(4&5:A U1$%0$1(4&5: 12# 4'7$#'#5(#3 B41 1 '4>(02# &= ()# UUbN1$6&24()': &= "A W'4() 153 ()# \77$#I04:(@Y<8:(21 U12(#:415 7&$<(#5:&2 '#()&3A \( 72#:#5(151$<(4%1$ #5#26< 153 U12(#:415 62134#5( %&3# 4: 72&B43#3A *)# *+,-./ 71%816# 1$$&?: 45(21'&$#%0$12 7&$124K1(4&5 (& ;# (2#1(#3 B41 1 B#2:4&5 &= ()# 45(#21%(4&531'7456 :%)#'# &= *)&$#A *& 4'7$#'#5( ()# *)&$# :%)#'#C 4( 4: 5#%#::12< (& :#( 1$$ ()# mutual-1x-scale 8#<?&23: (& 1 B1$0# &= &5#A *)# &()#2 7&$124K1(4&5 :%1$456 8#<?&23 :#24#:C direct-1x-scale 153 polar-1x-scaleC %15 ;# :#( 453#7#53#5($< (& #51;$# 1 ?43# B124#(< &= 7&$124K1(4&5'&3#$:A +5 &23#2 (& 0:# 15 \77$#I04:(@:(<$# '&3#$ ?4()&0( 7&$124K1(4&5 31'7456C :4'7$< :#( ()#polar-damp 8#<?&23 (& K#2&A

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28 "#$%&' ()*+,) -./0* 28

G54*34/;B &3*+XE 8C5547/3X c#2:4&5: &= &02 b&(#5(41$ W'&&()456 153 W#12%) FbWWH '#()&3&$&6< )1B# ;##5 4'7$#'#5(#3 ?4()45*+,-./A *)4: '#()&3: ;#$&56 (& ()# :1'# 6#5#21$ =1'4$< 1: W%)#2161[: Y4==0:4&5 .I01(4&5 T#()&3CW(210;[: e10::415 Y#5:4(< \55#1$456C W)1$$&?1<[: b1%8#( \55#1$456 153 c#2:%)#$3#[: .==#%(4B#Y4==0:#3 b&(#5(41$C ;0( &02 1$6&24()': 2#=$#%( &02 &?5 &56&456 2#:#12%) 45 ()4: 12#1A +5 '15< ?1<:()# *+,-./ 7&(#5(41$ :'&&()456 '#()&3: 12# ()# 3#(#2'454:(4% 151$&6 &= :(&%)1:(4% :4'0$1(#3155#1$456A *)# b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b^%&5:(2145(: &= &()#2 '#(24K1(4&5 72&%#302#:A \5 &0($45# &= ()# '#()&3&$&6< 153 4(: 177$4%1(4&5 (&,T/ ,V.@;1:#3 :(20%(02# 2#=45#'#5( 4: 3#:%24;#3 45 ()# 717#2 ;< X&3:3&5C !" ()A 45 6$ 94)$ :&4)$C %&'CNQN@OSJ FGRROHA "# )1B# &;(145#3 6&&3 2#:0$(: ?4() :&'#()456 $48# ()# 8#<?&23 7)21:# trial-distribution pairwise 5C ?)4%) 7#2=&2': Nn 712(41$ 2153&' 7142?4:# '#(24K1(4&5A ]&2:(20%(02#: &B#2 :#B#21$ )0532#3 1(&':C 1 B1$0# $#:: ()15 N =&2 ()# 7#2%#5(16# &= '#(24K1(4&5 :)&0$3;# =45#A

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29 "#$%&' ()*+,) -./0* 29

_2 ()* 59 47* %*E:5+0 ?534+5B >/B* ()/3X %*E:5+0) 45 ?534+5B "#$%&' ?;B6.B;4/53)

*)4: :#%(4&5 %&5(145: 1 3#:%247(4&5 &= ()# &B#2 LSS 8#<?&23 7121'#(#2: ?)4%) '1< ;# 0:#3 (& 3#=45#&2 1$(#2 ()# %&02:# &= 1 *+,-./ %1$%0$1(4&5A *)# 8#<?&23 %&5(2&$ =4$# 4: &7(4&51$ 45 ()# :#5:# ()1( 1$$&= ()# *+,-./ 72&621': ?4$$ 205 45 ()# 1;:#5%# &= 1 8#<=4$# 153 ?4$$ :4'7$< 0:# 3#=10$( B1$0#: &2I0#2< ()# 0:#2 =&2 5##3#3 45=&2'1(4&5A X&?#B#2C ()# 8#<?&23: 1$$&? 0:# &= 1 ?43# B124#(< &=1$6&24()'4% 153 72&%#3021$ &7(4&5:C '15< &= ?)4%) 12# 051B14$1;$# 45(#21%(4B#$<A -#<?&23: 12# 2#13 =2&' ()# 8#<?&23 %&5(2&$ =4$#A \$$ 72&621': $&&8 =42:( =&2 1 8#<=4$# ?4() ()# :1'#;1:# 51'# 1: ()# 4570( '&$#%0$12 :<:(#' 153 #53456 45 ()# #>(#5:4&5 .keyA += ()4: =4$# 3&#: 5&( #>4:(C()#5 *+,-./ (24#: (& 0:# 1 6#5#24% 8#<=4$# ?4() ()# 51'# tinker.key 153 $&%1(#3 45 ()# :1'#342#%(&2< 1: ()# 4570( :<:(#'A += 5#4()#2 1 :<:(#'@:7#%4=4% 5&2 1 6#5#24% 8#<=4$# 4: 72#:#5(C *+,-./?4$$ %&5(450# ;< 0:456 3#=10$( B1$0#: =&2 8#<?&23 &7(4&5: 153 1:8456 45(#21%(4B# I0#:(4&5: 1:5#%#::12<A *+,-./ :#12%)#: ()# 8#<=4$# 302456 ()# %&02:# &= 1 %1$%0$1(4&5 =&2 2#$#B15( 8#<?&23: ()1( '1< ;#72#:#5(A \$$ 8#<?&23: '0:( 177#12 1: ()# =42:( ?&23 &5 ()# $45#A \5< ;$158 :71%# (& ()# $#=( &= ()#8#<?&23 4: 465&2#3C 153 1$$ %&5(#5(: &= ()# 8#<=4$#: 12# %1:# 45:#5:4(4B#A W&'# 8#<?&23: (18#'&34=4#2:l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c. Y.d^e Y+e+*W .UXV .`+*@b\^W. ,Vc./W+V,Vc./"/+*. b/+,*V^* W\c.@UkU_.W\c.@]V/U. W\c.@+,Y^U.Y W\c.@c._VU+*kc./dVW. "/+*.V^* >J'?& >#&PI 8&P&?"#J$ %&R<J'I8 ]V/U.]+._Y b\/\T.*./W GJ"&$"#NP >($?"#J$ 8&P&?"#J$ %&R<J'I8

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30 "#$%&' ()*+,) -./0* 30

\,e\,e*./T \,e_.*./T dV,Y*./T UX\/e.*./T UXeYb_*./T Y+bV_.*./T .`*/\*./T +Tb/Vb*./T +Tb*V/W*./TT.*\_*./T TbV_.*./T Vbd.,Y*./TVbY+W**./T b+*V/W*./T bV_\/+j.*./T /.W*/\+,*./T /`,]+._Y*./T WV_c\*.*./TW*/d,Y*./T W*/*V/*./T *V/W+V,*./T*V/*V/*./T ^/.k*./T cY"*./T

GJ"&$"#NP >($?"#J$ GN'NO&"&' %&R<J'I8 \,e\,e \,e_. \,e_.L \,e_.M \,e_.N \,e_.] \*VT d+V*kb. dV,Y dV,YL dV,YM dV,YN UX\/e. Y+bV_. Y+bV_.L Y+bV_.M Y+bV_.N ._.U*,.e XdV,Y +Tb/Vb./ +Tb*V/WT.*\_ T^_*+bV_. Vbd.,Y VbY+W* b+\*VT b+dV,Y b+*V/W bV_\/+j. WV_c\*.W*/d,Y W*/*V/W *V/W+V,*V/W+V,M *V/W+V,N *V/*V/^/.kd/\Y cY" cY"GM cY"b/ &$&'-R ($#" ?J$Z&'8#J$ %&R<J'I8 \,e_.^,+* \,e\,e^,+* dV,Y^,+* ._.U*/+U +Tb/Vb^,+* +Tb*V/^,+*Vbd.,Y^,+* VbY+W*^,+* b+*V/W^,+*W*/d,Y^,+* W*/*V/^,+* *V/W+V,^,+**V/*V/^,+* ^/.k^,+* PJ?NP -&JO&"'R >($?"#J$NP >J'O %&R<J'I8 \,e_.@U^d+U \,e_.@h^\/*+U \,e_.@b.,*+U \,e_.@W.`*+U dV,Y@U^d+U dV,Y@h^\/*+UdV,Y*kb. TTJ@W*/d,Y b+WkW*.T ^/.k@U^d+U ^/.k@h^\/*+U ZN$ I&'<NNP8 >($?"#J$NP >J'O %&R<J'I8 \@.`b*./T d@.`b*./T U@.`b*./T Y._*\@X\_e/., .bW+_V,/^_. e\TT\@X\_e/.,e\^WW*kb. /\Y+^W/^_. /\Y+^WW+j./\Y+^W*kb. cY"@GJ@WU\_. cY"@GL@WU\_. cY"@GM@WU\_. cY"@GN@WU\_. cY"@UV//.U*+V,cY"+,Y.` cY"*kb. &P&?"'J8"N"#?8 >($?"#J$NP >J'O %&R<J'I8 UXe@GJ@WU\_. UXe@GL@WU\_. UXe@GM@WU\_.

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31 "#$%&' ()*+,) -./0* 31

UXe@GN@WU\_. UXe@d^]]./ Y+._.U*/+UY+/.U*@GG@WU\_. Y+/.U*@GJ@WU\_. Y+/.U*@GL@WU\_.Y+/.U*@GM@WU\_. TbV_.@GJ@WU\_. TbV_.@GL@WU\_.TbV_.@GM@WU\_. TbV_.@GN@WU\_. T^*^\_@GG@WU\_.T^*^\_@GJ@WU\_. T^*^\_@GL@WU\_. T^*^\_@GM@WU\_.bV_\/@GJ@WU\_. bV_\/@GL@WU\_. bV_\/@GM@WU\_.bV_\/@GN@WU\_. bV_\/@\WbU bV_\/@.bWbV_\/@WV/ bV_\/+j\*+V, /.\U*+V,]+._Y $J$VJ$I&I ?("J>> %&R<J'I8 UXe@U^*V]] UXe@*\b./ U^*V]] Yb_@U^*V]] Yb_@*\b./ X.WW@U^*V]] _+eX*W TbV_.@U^*V]] TbV_.@*\b./ ,.+eXdV/@e/V^bW ,.^*/\_@e/V^bW bV_kT./@U^*V]] *\b./ */^,U\*. cY"@U^*V]] cY"@*\b./ &<NPI 8(OON"#J$ %&R<J'I8 ."\_Y ."\_Y@\_bX\ ."\_Y@dV^,Y\/k."\_Y@U^*V]] bT.@e/+Y bT.@V/Y./ ?'R8"NP PN""#?& M G&'#JI#? VJ($IN'R %&R<J'I8 \@\`+W d@\`+W U@\`+W \_bX\ d.*\ e\TT\ ,V@WkTT.*/k VU*\X.Y/V, Wb\U.e/V^b`@\`+W k@\`+W j@\`+W $&#-YVJ' P#8" %&R<J'I8 UXe@_+W* _+W*@d^]]./ TbV_.@_+W*,.+eXdV/@_+W* cY"@_+W* JG"#O#SN"#J$ %&R<J'I8 \,eT\` U\bb\ ]U*T+, Xe^.WW +,*T\` _d][email protected]*V/WT\`+*./ ,."X.WW ,.`*+*./W_Vb.T\` W*..b.W*@Y.WU.,* W*.bT\`W*.bT+, OJP&?(PN' IR$NO#?8 %&R<J'I8 d..T\,@T+`+,e Y.e/..W@]/..YVT +,*.e/\*V//.TVc.@+,./*+\ "Y&'OJ8"N" M VN'J8"N" %&R<J'I8 \,+WV@b/.WW^/. d\/VW*\* UV__+W+V,UVTb/.WW ]/+U*+V, ]/+U*+V,@WU\_+,e*\^@b/.WW^/. *\^@*.Tb./\*^/. *X./TVW*\*

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32 "#$%&' ()*+,) -./0* 32

cV_^T.@TVc. cV_^T.@WU\_. cV_^T.@*/+\_ "'N$8#"#J$ 8"N"& %&R<J'I8 Y+c./e. e\TT\T+, /.Y^U. W\YY_.bV+,* I#8"N$?& -&JO&"'R %&R<J'I8 */+\_@Y+W*\,U. */+\_@Y+W*/+d^*+V, Z#V'N"#J$NP N$NPR8#8 %&R<J'I8 +Y^Tb c+d@/VV*W c+d@*V_./\,U. #OGP#?#" 8JPZN"#J$ %&R<J'I8 dV/,@/\Y+^W e-@/\Y+^W e-Ue-/ WV_c.,*@b/.WW^/. W^/]\U.@*.,W+V, GJ#88J$`VJP"SON$$ %&R<J'I8 \e/+Y \bdW@e/+Y dU]_UeU.,* Ue/+Y ]eU.,*]e/+Y +V, Te@\^*VTe@T\,^\_ bd@/\Y+^W bY+.WY.,W WY+. WT+,W/\Y W/]T W"+, ON"Y&ON"#?NP NP-J'#"YO %&R<J'I8 ]]*@b\U-\e. /\,YVTW..Y GN'NPP&P#SN"#J$ %&R<J'I8 Vb.,Tb@*X/.\YW >'&& &$&'-R G&'"('VN"#J$ %&R<J'I8 UXe@_\TdY\ Yb_@_\TdY\ _\TdY\_+e\,Y TbV_.@_\TdY\ T^*\*.bV_\/@_\TdY\ cY"@_\TdY\ GN'"#NP 8"'(?"('& %&R<J'I8 \U*+c. e/V^b e/V^b@+,*./ e/V^b@+,*/\ e/V^b@TV_.U^_. e/V^b@W._.U*+,\U*+c. ?J$8"'N#$" M '&8"'N#$" %&R<J'I8 d\W+, .,]V/U.@UX+/\_+*k /\**_. /\**_.@Y+W*\,U. /\**[email protected] /\**_.@_+,./\**_.@V/+e+, /\**_.@b_\,. /.W*/\+,@\,e_.

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33 "#$%&' ()*+,) -./0* 33

/.W*/\+,@Y+W*\,U. /.W*/\+,@e/V^bW /.W*/\+,@bVW+*+V,/.W*/\+,@*V/W+V, WbX./. "\__ GN'NO&"&' >#""#$- %&R<J'I8 ]+*@\,e_. ]+*@dV,Y ]+*@Vbd.,Y]+*@W*/d,Y ]+*@*V/W+V, ]+*@^/.k]+`@\,e_. ]+`@dV,Y ]+`@Y+bV_.]+`@TV,VbV_. ]+`@Vbd.,Y ]+`@h^\Y/^bV_.]+`@W*/d,Y ]+`@*V/W+V, ]+`@^/.kbV*.,*+\_@\*VTW bV*.,*+\_@]+* bV*.,*+\_@V]]W.*bV*.,*+\_@WX.__W bV*.,*+\_@Wb\U+,e *\/e.*@Y+bV_.*\/e.*@h^\Y/^bV_. GJ"&$"#NP 8OJJ"Y#$- %&R<J'I8 Y.]V/T Y+]]^W.@UX\/e. Y+]]^W.@*V/W+V, Y+]]^W.@cY" WTVV*X+,e I*)6+/@4/53 59 #30/^/0.;B %*E:5+0) *)# =&$$&?456 4: 15 1$7)1;#(4%1$ $4:( &= ()# *+,-./ 8#<?&23: 1$&56 ?4() 1 ;24#= 3#:%247(4&5 &= ()#1%(4&5 &= #1%) 8#<?&23 153 2#I042#3 &2 &7(4&51$ 7121'#(#2: ()1( %15 ;# 0:#3 (& #>(#53 &2 '&34=<#1%) 8#<?&23A *)# =&2'1( &= 7&::4;$# '&34=4#2:C 4= 15<C 4: :)&?5 45 ;21%8#(: =&$$&?456 #1%) 8#<?&23A N`NQ#8 a+*;Bb W#(: ()# B1$0# &= ()# 1@1>4: $#56() =&2 1 %2<:(1$ 054( %#$$C &2C #I04B1$#5($<C ()# `@1>4:$#56() =&2 1 7#24&34% ;&>A *)# $#56() B1$0# 45 \56:(2&': 4: $4:(#3 1=(#2 ()# 8#<?&23A N`&QG"&'O a+*;Bb W#(: ()# B1$0# &= ()# ZZ\[[ 72#'0$(47$4#2 (#2' 45 ()# d0%8456)1' B15 3#2 "11$:=05%(4&5C &$!$C ()# B1$0# &= \ 45 ()# =&2'0$1 .B3? o ! p \ #>7q@dF/&a/Hr @ U F/&a/HO sA N?"#Z& a/34*X*+ B/)4b W#(: ()# $4:( &= 1%(4B# 1(&': 302456 1 *+,-./ %&'70(1(4&5A +534B4301$7&(#5(41$ #5#26< (#2': 12# %&'70(#3 ?)#5 1( $#1:( &5# 1(&' 45B&$B#3 45 ()# (#2' 4: 1%(4B#A ]&2U12(#:415 :71%# %1$%0$1(4&5:C 1%(4B# 1(&': 12# ()&:# 1$$&?#3 (& '&B#A ]&2 (&2:4&51$ :71%#%1$%0$1(4&5:C 2&(1(4&5: 12# 1$$&?#3 ?)#5 1$$ 1(&': &5 &5# :43# &= ()# 2&(1(#3 ;&53 12# 1%(4B#A T0$(47$#\U*+c. $45#: %15 ;# 72#:#5( 45 ()# 8#<=4$# 153 12# (2#1(#3 %0'0$1(4B#$<A V5 #1%) $45# ()# 8#<?&23%15 ;# =&$$&?#3 ;< &5# &2 '&2# 1(&' 50';#2: &2 1(&' 2156#:A *)# 72#:#5%# &= 15< \U*+c. 8#<?&23&B#2243#: 15< +,\U*+c. 8#<?&23: 45 ()# 8#<=4$#A NPGYN a+*;Bb W#(: ()# B1$0# &= ()# " 156$# &= 1 %2<:(1$ 054( %#$$C &$!$C ()# 156$# ;#(?##5 ()# ;@1>4:153 %@1>4: &= 1 054( %#$$C &2C #I04B1$#5($<C ()# 156$# ;#(?##5 ()# k@1>4: 153 j@1>4: &= 1 7#24&34% ;&>A*)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# \_bX\ 8#<?&23 4: RS 3#62##:A N$-N$- a1 /34*X*+ M L +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# 156$#@156$# %2&::(#2' 7&(#5(41$ 7121'#(#2A N$-N$-"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# 156$#@156$# %2&:: (#2' 7&(#5(41$#5#26<A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)# ,V,.&7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26<(#2': #>%#7( =&2 ()4: &5#A

Page 35: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

34 "#$%&' ()*+,) -./0* 34

N$-N$-($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()#156$#@156$# %2&:: (#2' 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%# =4#$3 3#7#53#5(153 (<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)# 3#=10$( &= F#aGQSHJo SASSSLSMO 4: 0:#3C 4= ()# \,e\,e^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$# &2 ()#8#<=4$#A N$-P& aL /34*X*+) M W +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 156$# ;#534567121'#(#2A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: =&2 ()# ()2## 8453: &= 1(&': 45B&$B#345 ()# 156$# ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$ 50';#2 '&34=4#2: 64B# ()# =&2%# %&5:(15( B1$0# =&2 ()#156$# 153 07 (& ()2## 43#1$ ;&53 156$#: 45 3#62##:A +5 '&:( %1:#: &5$< &5# 43#1$ ;&53 156$# 4: 64B#5C153 ()1( B1$0# 4: 0:#3 =&2 1$$ &%%022#5%#: &= ()# :7#%4=4#3 ;&53 156$#A += 1$$ ()2## 43#1$ 156$#: 12#64B#5C ()# B1$0#: 177$< ?)#5 ()# %#5(21$ 1(&' &= ()# 156$# 4: 1((1%)#3 (& SC G &2 J 1334(4&51$ )<32&6#51(&':C 2#:7#%(4B#$<A *)4: ZZ)<32&6#5 #5B42&5'#5([[ &7(4&5 4: 72&B43#3 (& 4'7$#'#5( ()#%&22#:7&53456 =#1(02# &= \$$456#2[: TT =&2%# =4#$3:A *)# 3#=10$( 054(: =&2 ()# =&2%# %&5:(15( 12#8%1$a'&$#a213415JC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# \,e_.^,+* 8#<?&23A N$-P&`?(V#? a+*;Bb W#(: ()# B1$0# &= ()# %0;4% (#2' 45 ()# *1<$&2 :#24#: #>715:4&5 =&2' &= ()#;&53 156$# ;#53456 7&(#5(41$ #5#26<A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# %&#==4%4#5( 1: 1'0$(47$# &= ()# I01321(4% %&#==4%4#5(A *)4: (#2' '0$(47$4#3 ;< ()# 156$# ;#53456 #5#26< 054(%&5B#2:4&5 =1%(&2C ()# =&2%# %&5:(15(C 153 ()# %0;# &= ()# 3#B41(4&5 &= ()# ;&53 156$# =2&' 4(: 43#1$B1$0# 64B#: ()# %0;4% %&5(24;0(4&5 (& ()# 156$# ;#53456 #5#26<A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &=()# \,e_.@U^d+U 8#<?&23 4: K#2&l &$!$C ()# %0;4% 156$# ;#53456 (#2' 4: &'4((#3A N$-P&`G&$"#? a+*;Bb W#(: ()# B1$0# &= ()# =4=() 7&?#2 (#2' 45 ()# *1<$&2 :#24#: #>715:4&5 =&2' &=()# ;&53 156$# ;#53456 7&(#5(41$ #5#26<A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# %&#==4%4#5(1: 1 '0$(47$# &= ()# I01321(4% %&#==4%4#5(A *)4: (#2' '0$(47$4#3 ;< ()# 156$# ;#53456 #5#26< 054(%&5B#2:4&5 =1%(&2C ()# =&2%# %&5:(15(C 153 ()# =4=() 7&?#2 &= ()# 3#B41(4&5 &= ()# ;&53 156$# =2&' 4(:43#1$ B1$0# 64B#: ()# 7#5(4% %&5(24;0(4&5 (& ()# 156$# ;#53456 #5#26<A *)# 3#=10$( B1$0# 45 ()#1;:#5%# &= ()# \,e_.@b.,*+U 8#<?&23 4: K#2&l &$!$C ()# 7#5(4% 156$# ;#53456 (#2' 4: &'4((#3A N$-P&`K(N'"#? a+*;Bb W#(: ()# B1$0# &= ()# I012(4% (#2' 45 ()# *1<$&2 :#24#: #>715:4&5 =&2' &=()# ;&53 156$# ;#53456 7&(#5(41$ #5#26<A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# %&#==4%4#5(1: 1 '0$(47$# &= ()# I01321(4% %&#==4%4#5(A *)4: (#2' '0$(47$4#3 ;< ()# 156$# ;#53456 #5#26< 054(%&5B#2:4&5 =1%(&2C ()# =&2%# %&5:(15(C 153 ()# =&2() 7&?#2 &= ()# 3#B41(4&5 &= ()# ;&53 156$# =2&' 4(:43#1$ B1$0# 64B#: ()# I012(4% %&5(24;0(4&5 (& ()# 156$# ;#53456 #5#26<A *)# 3#=10$( B1$0# 45 ()#1;:#5%# &= ()# \,e_.@h^\/*+U 8#<?&23 4: K#2&l &$!$C ()# I012(4% 156$# ;#53456 (#2' 4: &'4((#3A N$-P&`8&Q"#? a+*;Bb W#(: ()# B1$0# &= ()# :4>() 7&?#2 (#2' 45 ()# *1<$&2 :#24#: #>715:4&5 =&2' &=()# ;&53 156$# ;#53456 7&(#5(41$ #5#26<A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# %&#==4%4#5(1: 1 '0$(47$# &= ()# I01321(4% %&#==4%4#5(A *)4: (#2' '0$(47$4#3 ;< ()# 156$# ;#53456 #5#26< 054(%&5B#2:4&5 =1%(&2C ()# =&2%# %&5:(15(C 153 ()# :4>() 7&?#2 &= ()# 3#B41(4&5 &= ()# ;&53 156$# =2&' 4(:43#1$ B1$0# 64B#: ()# :#>(4% %&5(24;0(4&5 (& ()# 156$# ;#53456 #5#26<A *)# 3#=10$( B1$0# 45 ()# 1;:#5%#&= ()# \,e_.@W.`*+U 8#<?&23 4: K#2&l &$!$C ()# :#>(4% 156$# ;#53456 (#2' 4: &'4((#3A N$-P&L aL /34*X*+) M W +*;B)b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a'&$#a213415JC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# \,e_.^,+* 8#<?&23A += 15< \,e_.L 8#<?&23:12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5 *+,-./ 2#I042#: ()1(

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35 "#$%&' ()*+,) -./0* 35

:7#%41$ \,e_.L 7121'#(#2: ;# 64B#5 =&2 1$$ 156$#: 45 L@'#';#2#3 2456:A +5 ()# 1;:#5%# &= 15<\,e_.L 8#<?&23:C :(153123 \,e_. 7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 L@'#';#2#3 2456:A N$-P&W aL /34*X*+) M W +*;B)b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a'&$#a213415JC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# \,e_.^,+* 8#<?&23A += 15< \,e_.M 8#<?&23:12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5 *+,-./ 2#I042#: ()1(:7#%41$ \,e_.M 7121'#(#2: ;# 64B#5 =&2 1$$ 156$#: 45 M@'#';#2#3 2456:A +5 ()# 1;:#5%# &= 15<\,e_.M 8#<?&23:C :(153123 \,e_. 7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 M@'#';#2#3 2456:A N$-P&[ aL /34*X*+) M W +*;B)b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a'&$#a213415JC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# \,e_.^,+* 8#<?&23A += 15< \,e_.N 8#<?&23:12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5 *+,-./ 2#I042#: ()1(:7#%41$ \,e_.N 7121'#(#2: ;# 64B#5 =&2 1$$ 156$#: 45 N@'#';#2#3 2456:A +5 ()# 1;:#5%# &= 15<\,e_.N 8#<?&23:C :(153123 \,e_. 7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 N@'#';#2#3 2456:A N$-P&> aL /34*X*+) M L +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 156$# ;#534567121'#(#2 =&2 1 WX\b.W@:(<$# ]&024#2 7&(#5(41$ =05%(4&5A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1::50';#2: =&2 ()# ()2## 8453: &= 1(&': 45B&$B#3 45 ()# 156$# ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$ 50';#2'&34=4#2: 64B# ()# =&2%# %&5:(15( B1$0# =&2 ()# 156$#C ()# 156$# :)4=( 45 3#62##:C 153 ()# 7#24&34%4(<B1$0#A ,&(# ()1( ()# =&2%# %&5:(15( :)&0$3 ;# 64B#5 1: ()# ZZ)12'&54%[[ B1$0# 153 5&( ()# 51(4B#]&024#2 B1$0#A *)# 3#=10$( 054(: =&2 ()# =&2%# %&5:(15( 12# 8%1$a'&$#a213415JC ;0( ()4: %15 ;#%&5(2&$$#3 B41 ()# \,e_.^,+* 8#<?&23A N$-P&"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# ;&53 156$# ;#53456 7&(#5(41$#5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)#,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$#5#26< (#2': #>%#7( =&2 ()4: &5#A N$-P&($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()# ;&53156$# ;#53456 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%# =4#$3 3#7#53#5( 153(<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)# 3#=10$( B1$0# &=F#aGQSHJ o SASSSLSMO 4: 0:#3C 4= ()# \,e_.^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2=4$# &2 ()# 8#<=4$#A N$-ONQ a+*;Bb W#( ()# '1>4'0' 7#2'4::4;$# 156$# ;#(?##5 ()# %022#5( &7(4'4K1(4&5 :#12%)342#%(4&5 153 ()# 5#61(4B# &= ()# 62134#5( 342#%(4&5A += ()4: '1>4'0' 156$# B1$0# 4: #>%##3#3C ()#&7(4'4K1(4&5 2&0(45# ?4$$ 5&(# 15 #22&2 %&534(4&5 153 '1< 2#:(12( =2&' ()# :(##7#:( 3#:%#5(342#%(4&5A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# \,eT\` 8#<?&23 4: 0:01$$< QQ 3#62##: =&2%&5D061(# 62134#5( '#()&3: 153 GQS 3#62##: F&$!$C 34:1;$#3H =&2 B1241;$# '#(24% &7(4'4K1(4&5:A N$#8J`G'&88('& *)4: 8#<?&23 45B&8#: 0:# &= =0$$ 154:&(2&74% 72#::02# 302456 3<51'4%::4'0$1(4&5:A ")#5 0:456 ()4: &7(4&5C ()# ()2## 1>4: $#56(): 153 1>4: 156$#: B12< :#7121(#$< 45

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36 "#$%&' ()*+,) -./0* 36

2#:7&5:# (& ()# 72#::02# (#5:&2A *)# 3#=10$(C 45 ()# 1;:#5%# &= ()# 8#<?&23C 4: 4:&(2&74% 72#::02#;1:#3 &5 ()# 1B#216# &= ()# 3416&51$ &= ()# 72#::02# (#5:&2A N'?Y#Z& *)4: 8#<?&23 %10:#: *+,-./ '&$#%0$12 3<51'4%:@;1:#3 72&621': (& ?24(# (21D#%(&24#:342#%($< (& 1 :456$# 7$145@(#>( 12%)4B# =4$# ?4() ()# .arc =&2'1(A += 15 12%)4B# =4$# 1$2#13< #>4:(: 1( ()#:(12( &= ()# %1$%0$1(4&5C ()#5 ()# 5#?$< 6#5#21(#3 (21D#%(&2< 4: 177#53#3 (& ()# #53 &= ()# #>4:(456 =4$#A*)# 3#=10$( 45 ()# 1;:#5%# &= ()4: 8#<?&23 4: (& ?24(# ()# (21D#%(&2< :517:)&(: (& %&5:#%0(4B#$<50';#2#3 %<%$# =4$#:A N"JO aD /34*X*+)U 3;C*U d.54*0 )4+/3XU /34*X*+U +*;B M /34*X*+b *)4: 8#<?&23 72&B43#: ()#B1$0#: 5##3#3 (& 3#=45# 1 :456$# =&2%# =4#$3 1(&' (<7#A V`NQ#8 a+*;Bb W#(: ()# B1$0# &= ()# ;@1>4: $#56() =&2 1 %2<:(1$ 054( %#$$C &2C #I04B1$#5($<C ()# k@1>4:$#56() =&2 1 7#24&34% ;&>A *)# $#56() B1$0# 45 \56:(2&': 4: $4:(#3 1=(#2 ()# 8#<?&23A += ()# 8#<?&23 4:1;:#5(C ()# ;@1>4: $#56() 4: :#( #I01$ (& ()# 1@1>4: $#56()A V`&QG"&'O a+*;Bb W#(: ()# B1$0# &= ()# ZZd[[ #>7&5#5(41$ =1%(&2 45 ()# d0%8456)1' B15 3#2 "11$:=05%(4&5C &$!$C ()# B1$0# &= d 45 ()# =&2'0$1 .B3? o ! p \ #>7q@dF/&a/Hr @ U F/&a/HO sA VN'J8"N" aV&'&$I8&$b *)4: 8#<?&23 :#$#%(: 1 ;12&:(1( 1$6&24()' =&2 0:# 302456 '&$#%0$123<51'4%:A \( 72#:#5( &5$< &5# '&34=4#2 4: 1B14$1;$#C 1 d#2#53:#5 ;1() %&07$456 '#()&3A *)# 3#=10$(45 ()# 1;:#5%# &= ()# d\/VW*\* 8#<?&23 4: (& 0:# ()# d./.,YW., 1$6&24()'A VN8#$ aD +*;B)b b2#:#5%# &= ()4: 8#<?&23 (025: &5 1 ZZ;1:45[[ 2#:(2145( 7&(#5(41$ =05%(4&5 ()1(:#2B#: (& 324B# ()# :<:(#' (&?123 1 %&'71%( :(20%(02#A *)# 1%(01$ =05%(4&5 4: 1 e10::415 &= ()# =&2'.;1:45 o $ \ #>7q@d /JrC :0''#3 &B#2 1$$ 7142: &= 1(&': ?)#2# / 4: ()# 34:(15%# ;#(?##5 1(&':A *)# \153 d B1$0#: 12# ()# 3#7() 153 ?43() 7121'#(#2: 64B#5 1: '&34=4#2: (& ()# d\W+, 8#<?&23A *)4:7&(#5(41$ 4: %022#5($< 0:#3 (& %&5(2&$ ()# 3#62## &= #>715:4&5 302456 7&(#5(41$ #5#26< :'&&()72&%#302#: ()2&06) ()# 0:# &= :)1$$&?C ;2&13 ;1:45:A V&"N a+*;Bb W#(: ()# B1$0# &= ()# % 156$# &= 1 %2<:(1$ 054( %#$$C &$!$C ()# 156$# ;#(?##5 ()# 1@1>4: 153%@1>4: &= 1 054( %#$$C &2C #I04B1$#5($<C ()# 156$# ;#(?##5 ()# `@1>4: 153 j@1>4: &= 1 7#24&34% ;&>A *)#3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# d.*\ 8#<?&23 4: (& :#( ()# % 156$# #I01$ (& ()# " 156$# 1: 64B#5 ;<()# 8#<?&23 \_bX\A V#J"RG& a/34*X*+U 3;C*U d.54*0 )4+/3X M /34*X*+b *)4: 8#<?&23 72&B43#: ()# B1$0#: (& 3#=45#()# %&22#:7&53#5%# ;#(?##5 1 :456$# ;4&7&$<'#2 1(&' (<7# 153 4(: =&2%# =4#$3 1(&' (<7#A VJ$I aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 :(2#(%)4567121'#(#2A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: =&2 ()# (?& 8453: &= 1(&': 45B&$B#3 45()# ;&53 ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$ 50';#2 '&34=4#2: 64B# ()# =&2%# %&5:(15( B1$0# =&2 ()# ;&53153 ()# 43#1$ ;&53 $#56() 45 mA *)# 3#=10$( 054(: =&2 ()# =&2%# %&5:(15( 12# 8%1$a'&$#amJC ;0( ()4: %15;# %&5(2&$$#3 B41 ()# dV,Y^,+* 8#<?&23A VJ$I`?(V#? a+*;Bb W#(: ()# B1$0# &= ()# %0;4% (#2' 45 ()# *1<$&2 :#24#: #>715:4&5 =&2' &= ()#;&53 :(2#(%)456 7&(#5(41$ #5#26<A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# %&#==4%4#5( 1: 1'0$(47$# &= ()# I01321(4% %&#==4%4#5(A *)4: (#2' '0$(47$4#3 ;< ()# ;&53 :(2#(%)456 #5#26< 054(%&5B#2:4&5 =1%(&2C ()# =&2%# %&5:(15(C 153 ()# %0;# &= ()# 3#B41(4&5 &= ()# ;&53 $#56() =2&' 4(: 43#1$B1$0# 64B#: ()# %0;4% %&5(24;0(4&5 (& ()# ;&53 :(2#(%)456 #5#26<A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &=()# dV,Y@U^d+U 8#<?&23 4: K#2&l &$!$C ()# %0;4% ;&53 :(2#(%)456 (#2' 4: &'4((#3A

Page 38: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

37 "#$%&' ()*+,) -./0* 37

VJ$I`K(N'"#? a+*;Bb W#(: ()# B1$0# &= ()# I012(4% (#2' 45 ()# *1<$&2 :#24#: #>715:4&5 =&2' &=()# ;&53 :(2#(%)456 7&(#5(41$ #5#26<A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# %&#==4%4#5( 1: 1'0$(47$# &= ()# I01321(4% %&#==4%4#5(A *)4: (#2' '0$(47$4#3 ;< ()# ;&53 :(2#(%)456 #5#26< 054(%&5B#2:4&5 =1%(&2C ()# =&2%# %&5:(15(C 153 ()# =&2() 7&?#2 &= ()# 3#B41(4&5 &= ()# ;&53 $#56() =2&' 4(:43#1$ B1$0# 64B#: ()# I012(4% %&5(24;0(4&5 (& ()# ;&53 :(2#(%)456 #5#26<A *)# 3#=10$( B1$0# 45 ()#1;:#5%# &= ()# dV,Y@h^\/*+U 8#<?&23 4: K#2&l &$!$C ()# I012(4% ;&53 :(2#(%)456 (#2' 4: &'4((#3A VJ$IL aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 :(2#(%)4567121'#(#2 :7#%4=4% (& 1(&': 45 L@'#';#2#3 2456:A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2:=&2 ()# (?& 8453: &= 1(&': 45B&$B#3 45 ()# ;&53 ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$ 50';#2 '&34=4#2:64B# ()# =&2%# %&5:(15( B1$0# =&2 ()# ;&53 153 ()# 43#1$ ;&53 $#56() 45 mA *)# 3#=10$( 054(: =&2 ()#=&2%# %&5:(15( 12# 8%1$a'&$#amJC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# dV,Y^,+* 8#<?&23A += 15<dV,YL 8#<?&23: 12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5*+,-./ 2#I042#: ()1( :7#%41$ dV,YL 7121'#(#2: ;# 64B#5 =&2 1$$ ;&53: 45 L@'#';#2#3 2456:A +5 ()#1;:#5%# &= 15< dV,YL 8#<?&23:C :(153123 dV,Y 7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 L@'#';#2#32456:A VJ$IW aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 :(2#(%)4567121'#(#2 :7#%4=4% (& 1(&': 45 M@'#';#2#3 2456:A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2:=&2 ()# (?& 8453: &= 1(&': 45B&$B#3 45 ()# ;&53 ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$ 50';#2 '&34=4#2:64B# ()# =&2%# %&5:(15( B1$0# =&2 ()# ;&53 153 ()# 43#1$ ;&53 $#56() 45 mA *)# 3#=10$( 054(: =&2 ()#=&2%# %&5:(15( 12# 8%1$a'&$#amJC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# dV,Y^,+* 8#<?&23A += 15<dV,YM 8#<?&23: 12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5*+,-./ 2#I042#: ()1( :7#%41$ dV,YM 7121'#(#2: ;# 64B#5 =&2 1$$ ;&53: 45 M@'#';#2#3 2456:A +5 ()#1;:#5%# &= 15< dV,YM 8#<?&23:C :(153123 dV,Y 7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 M@'#';#2#32456: VJ$I[ aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 :(2#(%)4567121'#(#2 :7#%4=4% (& 1(&': 45 N@'#';#2#3 2456:A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2:=&2 ()# (?& 8453: &= 1(&': 45B&$B#3 45 ()# ;&53 ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$ 50';#2 '&34=4#2:64B# ()# =&2%# %&5:(15( B1$0# =&2 ()# ;&53 153 ()# 43#1$ ;&53 $#56() 45 mA *)# 3#=10$( 054(: =&2 ()#=&2%# %&5:(15( 12# 8%1$a'&$#amJC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# dV,Y^,+* 8#<?&23A += 15<dV,YN 8#<?&23: 12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5*+,-./ 2#I042#: ()1( :7#%41$ dV,YN 7121'#(#2: ;# 64B#5 =&2 1$$ ;&53: 45 N@'#';#2#3 2456:A +5 ()#1;:#5%# &= 15< dV,YN 8#<?&23:C :(153123 dV,Y 7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 N@'#';#2#32456: VJ$I"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# ;&53 :(2#(%)456 7&(#5(41$ #5#26<(#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)# ,V,.&7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26<(#2': #>%#7( =&2 ()4: &5#A VJ$I"RG& a"NRPJ'cOJ'8&c-N(88#N$b U)&&:#: ()# =05%(4&51$ =&2' &= ()# ;&53 :(2#(%)4567&(#5(41$A *)# *\k_V/ &7(4&5 :#$#%(: 1 *1<$&2 :#24#: #>715:4&5 %&5(145456 (#2': =2&' )12'&54%()2&06) I012(4%A *)# TV/W. &7(4&5 :#$#%(: 1 T&2:# 7&(#5(41$ =4( (& ()# 43#1$ ;&53 $#56() 153:(2#(%)456 =&2%# %&5:(15( 7121'#(#2 B1$0#:A *)# e\^WW+\, &7(4&5 0:#: 15 45B#2(#3 e10::415 ?4()1'7$4(03# #I01$ (& ()# T&2:# ;&53 34::&%41(4&5 #5#26< 153 ?43() :#( (& 2#72&30%# ()# B4;21(4&51$=2#I0#5%< &= 1 )12'&54% 7&(#5(41$A *)# 3#=10$( 4: (& 0:# ()# *\k_V/ 7&(#5(41$A VJ$I($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()# ;&53:(2#(%)456 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%# =4#$3 3#7#53#5( 153 (<74%1$$<

Page 39: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

38 "#$%&' ()*+,) -./0* 38

72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()#dV,Y^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#A ?`NQ#8 a+*;Bb W#(: ()# B1$0# &= ()# U@1>4: $#56() =&2 1 %2<:(1$ 054( %#$$C &2C #I04B1$#5($<C ()# j@1>4:$#56() =&2 1 7#24&34% ;&>A *)# $#56() B1$0# 45 \56:(2&': 4: $4:(#3 1=(#2 ()# 8#<?&23A += ()# 8#<?&23 4:1;:#5(C ()# U@1>4: $#56() 4: :#( #I01$ (& ()# \@1>4: $#56()A ?`&QG"&'O a+*;Bb W#(: ()# B1$0# &= ()# ZZU[[ 34:7#2:4&5 '0$(47$4#2 45 ()# d0%8456)1' B15 3#2"11$: =05%(4&5C &$!$C ()# B1$0# &= U 45 ()# =&2'0$1 .B3? o ! p \ #>7q@dF/&a/Hr @ U F/&a/HO sA ?NGGN a+*;Bb *)4: 8#<?&23 4: 0:#3 (& :#( ()# 5&2'1$ (#2'451(4&5 %24(#24&5 =&2 ()# $45# :#12%)7)1:# &= *+,-./ &7(4'4K1(4&5 2&0(45#:A *)# $45# :#12%) #>4(: :0%%#::=0$$< 4= ()# 21(4& &= ()# %022#5(62134#5( 72&D#%(4&5 &5 ()# $45# (& ()# 72&D#%(4&5 1( ()# :(12( &= ()# $45# :#12%) =1$$: ;#$&? ()# B1$0# &=U\bb\A \ 3#=10$( B1$0# &= SAG 4: 0:#3 45 ()# 1;:#5%# &= ()# U\bb\ 8#<?&23A ?YN'-& a1 /34*X*+ M 1 +*;Bb *)4: 8#<?&23 72&B43#: 1 B1$0# =&2 1 :456$# 1(&'4% 712(41$ %)126##$#%(2&:(1(4% 7121'#(#2A *)# 45(#6#2 '&34=4#2C 4= 7&:4(4B#C 64B#: ()# 1(&' (<7# 50';#2 =&2 ?)4%) ()#%)126# 7121'#(#2 4: (& ;# 3#=45#3A ,&(# ()1( %)126# 7121'#(#2: 12# 64B#5 =&2 1(&' (<7#:C 5&( 1(&'%$1::#:A += ()# 45(#6#2 '&34=4#2 4: 5#61(4B#C ()#5 ()# 7121'#(#2 B1$0# (& =&$$&? 177$4#: &5$< (& ()#4534B4301$ 1(&' ?)&:# 1(&' 50';#2 4: ()# 5#61(4B# &= ()# '&34=4#2A *)# 2#1$ 50';#2 '&34=4#2 64B#:()# B1$0#: &= ()# 1(&'4% 712(41$ %)126# 45 #$#%(2&5:A ?YN'-&"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# %)126#@%)126# 7&(#5(41$ #5#26<(#2' ;#(?##5 7142: &= 1(&'4% 712(41$ %)126#:A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23(025: &5 0:# &= ()# 7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k&7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A ?Y-`1D`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& %)126#@%)126# #$#%(2&:(1(4% 45(#21%(4&5: ;#(?##5 G@J %&55#%(#3 1(&':C &$!$C 1(&': ()1( 12# 342#%($< ;&53#3A*)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# UXe@GJ@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2=4$# &2 ()# 8#<=4$#A ?Y-`1L`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& %)126#@%)126# #$#%(2&:(1(4% 45(#21%(4&5: ;#(?##5 G@L %&55#%(#3 1(&':C &$!$C 1(&': :#7121(#3 ;< (?& %&B1$#5(;&53:A *)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# UXe@GL@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2 ()#7121'#(#2 =4$# &2 ()# 8#<=4$#A ?Y-`1W`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& %)126#@%)126# #$#%(2&:(1(4% 45(#21%(4&5: ;#(?##5 G@M %&55#%(#3 1(&':C &$!$C 1(&': :#7121(#3 ;< ()2##%&B1$#5( ;&53:A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# UXe@GM@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A ?Y-`1[`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& %)126#@%)126# #$#%(2&:(1(4% 45(#21%(4&5: ;#(?##5 G@N %&55#%(#3 1(&':C &$!$C 1(&': :#7121(#3 ;< =&02 %&B1$#5(;&53:A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# UXe@GN@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2 ()#7121'#(#2 =4$# &2 ()# 8#<=4$#A ?Y-`?("J>> a+*;Bb W#(: ()# %0(&== 34:(15%# B1$0# 45 \56:(2&': =&2 %)126#@%)126# #$#%(2&:(1(4%7&(#5(41$ #5#26< 45(#21%(4&5:A *)# #5#26< =&2 15< 7142 &= :4(#: ;#<&53 ()# %0(&== 34:(15%# ?4$$ ;# :#( (&K#2&A V()#2 8#<?&23: %15 ;# 0:#3 (& :#$#%( 1 :'&&()456 :%)#'# 5#12 ()# %0(&== 34:(15%#A *)# 3#=10$(

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39 "#$%&' ()*+,) -./0* 39

%0(&== 34:(15%# 45 ()# 1;:#5%# &= ()# UXe@U^*V]] 8#<?&23 4: 45=454(# =&2 5&57#24&34% :<:(#': 153RAS =&2 7#24&34% :<:(#':A ?Y-`"NG&' a+*;Bb *)4: 8#<?&23 1$$&?: '&34=4%1(4&5 &= ()# %0(&== ?453&? =&2 %)126#@%)126##$#%(2&:(1(4% 7&(#5(41$ #5#26< 45(#21%(4&5:A +( 4: :4'4$12 45 =&2' 153 1%(4&5 (& ()# *\b./ 8#<?&23C#>%#7( ()1( 4(: B1$0# 177$4#: &5$< (& ()# %)126#@%)126# 7&(#5(41$A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &=()# UXe@*\b./ 8#<?&23 4: (& ;#645 ()# %0(&== ?453&? 1( SAON &= ()# %&22#:7&53456 %0(&== 34:(15%#A ?Y-IGP"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# %)126#@347&$# 7&(#5(41$ #5#26<(#2' ;#(?##5 1(&'4% 712(41$ %)126#: 153 ;&53 347&$#:A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4:8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A*)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A ?JPP#8#J$ a+*;Bb W#(: ()# B1$0# &= ()# 2153&' %&$$4:4&5 =2#I0#5%< 0:#3 45 ()# \53#2:#5 :(&%)1:(4%%&$$4:4&5 3<51'4%: ()#2'&:(1(A *)# :077$4#3 B1$0# )1: 054(: &= =:@G 1(&'@G 153 4: '0$(47$4#3 45(#251$(& *+,-./ ;< ()# (4'# :(#7 45 =: 153 ,@JaL ?)#2# , 4: ()# 50';#2 &= 1(&':A *)# 3#=10$( B1$0# 0:#3 45()# 1;:#5%# &= ()# UV__+W+V, 8#<?&23 4: SAG ?)4%) 4: 1772&7241(# =&2 '15< :<:(#': ;0( '1< 5##313D0:('#5( (& 1%)4#B# 13#I01(# (#'7#21(02# %&5(2&$ ?4()&0( 7#2(02;456 ()# 3<51'4%:A ?JOG'&88 a+*;Bb W#(: ()# B1$0# &= ()# ;0$8 :&$B#5( 4:&()#2'1$ %&'72#::4;4$4(< 45 \('@G =&2 0:#302456 72#::02# %&'70(1(4&5 153 :%1$456 45 '&$#%0$12 3<51'4%: %&'70(1(4&5:A *)# 3#=10$( B1$0#0:#3 45 ()# 1;:#5%# &= ()# UVTb/.WW 8#<?&23 4: SASSSSMOC 1772&7241(# =&2 ?1(#2A *)4: 7121'#(#2:#2B#: 1: 1 :%1$# =1%(&2 =&2 ()# e2&5456#5@:(<$# 72#::02# ;1() %&07$456 (4'#C 153 4(: #>1%( B1$0#:)&0$3 5&( ;# &= %24(4%1$ 4'7&2(15%#A ?("J>> a+*;Bb W#(: ()# %0(&== 34:(15%# B1$0# =&2 1$$ 5&5;&53#3 7&(#5(41$ #5#26< 45(#21%(4&5:A *)##5#26< =&2 15< &= ()# 5&5;&53#3 7&(#5(41$: &= 1 7142 &= :4(#: ;#<&53 ()# %0(&== 34:(15%# ?4$$ ;# :#( (&K#2&A V()#2 8#<?&23: %15 ;# 0:#3 (& :#$#%( 1 :'&&()456 :%)#'# 5#12 ()# %0(&== 34:(15%#C &2 (& 177$<34==#2#5( %0(&== 34:(15%#: (& B124&0: 5&5;&53#3 #5#26< (#2':A I&V(- *025: &5 7245(456 &= 3#(14$#3 45=&2'1(4&5 153 45(#2'#341(# B1$0#: ()2&06)&0( ()# 72&62#::&= 1 *+,-./ %&'70(1(4&5l 5&( 2#%&''#53#3 =&2 0:# ?4() $126# :(20%(02#: &2 =0$$ 7&(#5(41$ #5#26<=05%(4&5: :45%# 1 :0''12< &= #B#2< 4534B4301$ 45(#21%(4&5 ?4$$ 0:01$$< ;# &0(70(A I&>J'O a+*;Bb W#(: ()# 1'&05( &= 34==0:4&5 #I01(4&5@:(<$# :'&&()456 ()1( ?4$$ ;# 177$4#3 (& ()#7&(#5(41$ #5#26< :02=1%# ?)#5 0:456 ()# WTVV*X =&2%# =4#$3A *)# 2#1$ 50';#2 &7(4&5 4: #I04B1$#5( (&()# ZZ(4'#[[ B1$0# 45 ()# &246451$ b4#$1C !" ()$ =&2'1$4:'l ()# $126#2 ()# B1$0#C ()# 62#1(#2 ()# :'&&()456A*)# 3#=10$( B1$0# 4: K#2&C '#15456 ()1( 5& :'&&()456 ?4$$ ;# 177$4#3A I&-'&&8`>'&&IJO a/34*X*+b *)4: 8#<?&23 1$$&?: '1501$ :#((456 &= ()# 50';#2 &= 3#62##: &==2##3&' 302456 1 3<51'4%: %1$%0$1(4&5A *)# 45(#6#2 '&34=4#2 4: 0:#3 ;< ()#2'&:(1(456 '#()&3: 15345 &()#2 7$1%#: 1: ()# 50';#2 &= 3#62##: &= =2##3&'C &B#2243456 ()# B1$0# 3#(#2'45#3 ;< ()# *+,-./%&3# 1( 3<51'4%: :(12(07A +5 ()# 1;:#5%# &= ()# 8#<?&23C ()# 72&621': ?4$$ 10(&'1(4%1$$< %&'70(#()# %&22#%( B1$0# ;1:#3 &5 ()# 50';#2 &= 1(&': 1%(4B# 302456 3<51'4%:C ;&53 &2 &()#2 %&5:(2145:C153 0:# &= 7#24&34% ;&05312< %&534(4&5:A I&P"N`YNP-'&$ a+*;Bb W#(: ()# B1$0# &= ()# & 7121'#(#2 45 X1$62#5[: ;0==#2#3 GM@P B3?7&(#5(41$ #5#26< =05%(4&51$ =&2'A +5 ()# 1;:#5%# &= ()# Y._*\@X\_e/., 8#<?&23C 1 3#=10$( B1$0# &=SASP 4: 0:#3A

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40 "#$%&' ()*+,) -./0* 40

I#&P&?"'#? a+*;Bb W#(: ()# B1$0# &= ()# ;0$8 34#$#%(24% %&5:(15( 0:#3 (& 31'7 1$$ #$#%(2&:(1(4%45(#21%(4&5 #5#264#: =&2 15< &= ()# *+,-./ #$#%(2&:(1(4% 7&(#5(41$ =05%(4&5:A *)# 3#=10$( B1$0# 4: =&2%#=4#$3 3#7#53#5(C ;0( 4: 0:01$$< #I01$ (& GAS F=&2 \$$456#2[: TT =&2%# =4#$3: ()# 3#=10$( 4: GANHA I#>>(8&`?YN'-& a+*;Bb *)4: 8#<?&23 4: 0:#3 302456 7&(#5(41$ =05%(4&5 :'&&()456 72&%#302#: (&:7#%4=< ()# #==#%(4B# 34==0:4&5 %&#==4%4#5( (& ;# 177$4#3 (& ()# :'&&()#3 =&2' &= ()# U&0$&';[: _1?%)126#@%)126# 7&(#5(41$ =05%(4&5A +5 ()# 1;:#5%# &= ()# Y+]]^W.@UX\/e. 8#<?&23C 1 3#=10$( B1$0# &=LAN 4: 0:#3A I#>>(8&`"J'8#J$ a+*;Bb *)4: 8#<?&23 4: 0:#3 302456 7&(#5(41$ =05%(4&5 :'&&()456 72&%#302#:(& :7#%4=< ()# #==#%(4B# 34==0:4&5 %&#==4%4#5( (& ;# 177$4#3 (& ()# :'&&()#3 =&2' &= ()# (&2:4&5 156$#7&(#5(41$ =05%(4&5A +5 ()# 1;:#5%# &= ()# Y+]]^W.@*V/W+V, 8#<?&23C 1 3#=10$( B1$0# &= SASJJN 4:0:#3A I#>>(8&`ZI< a+*;Bb *)4: 8#<?&23 4: 0:#3 302456 7&(#5(41$ =05%(4&5 :'&&()456 72&%#302#: (&:7#%4=< ()# #==#%(4B# 34==0:4&5 %&#==4%4#5( (& ;# 177$4#3 (& ()# :'&&()#3 e10::415 1772&>4'1(4&5 (&()# _#55123@g&5#: B15 3#2 "11$: 7&(#5(41$ =05%(4&5A +5 ()# 1;:#5%# &= ()# Y+]]^W.@cY" 8#<?&23C 13#=10$( B1$0# &= GAS 4: 0:#3A I#-#"8 a/34*X*+b *)4: 8#<?&23 %&5(2&$: ()# 50';#2 &= 3464(: &= 72#%4:4&5 &0(70( ;< *+,-./ 452#7&2(456 7&(#5(41$ #5#264#: 153 1(&'4% %&&23451(#:A *)# 1$$&?#3 B1$0#: =&2 ()# 45(#6#2 '&34=4#2 12#MC O 153 QA +570( B1$0#: $#:: ()15 M ?4$$ ;# :#( (& MC 153 ()&:# 62#1(#2 ()15 Q ?4$$ ;# :#( (& QA ]451$#5#26< B1$0#: 2#7&2(#3 ;< '&:( *+,-./ 72&621': ?4$$ %&5(145 ()# :7#%4=4#3 50';#2 &= 3464(: (& ()#246)( &= ()# 3#%4'1$ 7&45(A *)# 50';#2 &= 3#%4'1$ 7$1%#: (& ;# &0(70( =&2 1(&'4% %&&23451(#: 4:6#5#21$$< (?& $126#2 ()15 ()# B1$0# &= Y+e+*WA +5 ()# 1;:#5%# &= ()# Y+e+*W 8#<?&23 1 3#=10$( B1$0# &=M 4: 0:#3C 153 #5#264#: ?4$$ ;# 2#7&2(#3 (& M 3#%4'1$ 7$1%#: ?4() %&&23451(#: (& O 3#%4'1$ 7$1%#:A I#GJP& aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 347&$##$#%(2&:(1(4% 7121'#(#2A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&' (<7# 50';#2: =&2 ()# (?& 8453: &= 1(&':45B&$B#3 45 ()# ;&53 347&$# ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$ 50';#2 '&34=4#2: 64B# ()# B1$0# &= ()#;&53 347&$# 45 Y#;<#: 153 ()# 7&:4(4&5 &= ()# 347&$# :4(# 1$&56 ()# ;&53A += ()# ;&53 347&$# B1$0# 4:7&:4(4B#C ()#5 ()# =42:( &= ()# (?& 1(&' (<7#: 4: ()# 7&:4(4B# #53 &= ()# 347&$#A ]&2 1 5#61(4B# ;&53347&$# B1$0#C ()# =42:( 1(&' (<7# $4:(#3 4: 5#61(4B#A *)# 7&:4(4&5 1$&56 ()# ;&53 4: 15 &7(4&51$ '&34=4#2()1( 64B#: ()# 7&:(4&5 &= ()# 347&$# :4(# 1: 1 =21%(4&5 ;#(?##5 ()# =42:( 1(&' (<7# F7&:4(4&5oSH 153 ()#:#%&53 1(&' (<7# F7&:4(4&5oGHA *)# 3#=10$( =&2 ()# 347&$# 7&:4(4&5 45 ()# 1;:#5%# &= 1 :7#%4=4#3 B1$0#4: SANC 7$1%456 ()# 347&$# 1( ()# '437&45( &= ()# ;&53A I#GJP&L aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 347&$##$#%(2&:(1(4% 7121'#(#2 :7#%4=4% (& 1(&': 45 L@'#';#2#3 2456:A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&'(<7# 50';#2: =&2 ()# (?& 8453: &= 1(&': 45B&$B#3 45 ()# ;&53 347&$# ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$50';#2 '&34=4#2: 64B# ()# B1$0# &= ()# ;&53 347&$# 45 Y#;<#: 153 ()# 7&:4(4&5 &= ()# 347&$# :4(# 1$&56()# ;&53A *)# 3#=10$( =&2 ()# 347&$# 7&:4(4&5 45 ()# 1;:#5%# &= 1 :7#%4=4#3 B1$0# 4: SANC 7$1%456 ()#347&$# 1( ()# '437&45( &= ()# ;&53A += 15< Y+bV_.L 8#<?&23: 12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%#=4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5 *+,-./ 2#I042#: ()1( :7#%41$ Y+bV_.L 7121'#(#2: ;# 64B#5=&2 1$$ ;&53 347&$#: 45 L@'#';#2#3 2456:A +5 ()# 1;:#5%# &= 15< Y+bV_.L 8#<?&23:C :(153123 Y+bV_.7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 L@'#';#2#3 2456:A I#GJP&W aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 347&$##$#%(2&:(1(4% 7121'#(#2 :7#%4=4% (& 1(&': 45 M@'#';#2#3 2456:A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&'(<7# 50';#2: =&2 ()# (?& 8453: &= 1(&': 45B&$B#3 45 ()# ;&53 347&$# ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$50';#2 '&34=4#2: 64B# ()# B1$0# &= ()# ;&53 347&$# 45 Y#;<#: 153 ()# 7&:4(4&5 &= ()# 347&$# :4(# 1$&56()# ;&53A *)# 3#=10$( =&2 ()# 347&$# 7&:4(4&5 45 ()# 1;:#5%# &= 1 :7#%4=4#3 B1$0# 4: SANC 7$1%456 ()#

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41 "#$%&' ()*+,) -./0* 41

347&$# 1( ()# '437&45( &= ()# ;&53A += 15< Y+bV_.M 8#<?&23: 12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%#=4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5 *+,-./ 2#I042#: ()1( :7#%41$ Y+bV_.M 7121'#(#2: ;# 64B#5=&2 1$$ ;&53 347&$#: 45 M@'#';#2#3 2456:A +5 ()# 1;:#5%# &= 15< Y+bV_.M 8#<?&23:C :(153123 Y+bV_.7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 M@'#';#2#3 2456:A I#GJP&[ aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ;&53 347&$##$#%(2&:(1(4% 7121'#(#2 :7#%4=4% (& 1(&': 45 N@'#';#2#3 2456:A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&'(<7# 50';#2: =&2 ()# (?& 8453: &= 1(&': 45B&$B#3 45 ()# ;&53 347&$# ?)4%) 4: (& ;# 3#=45#3A *)# 2#1$50';#2 '&34=4#2: 64B# ()# B1$0# &= ()# ;&53 347&$# 45 Y#;<#: 153 ()# 7&:4(4&5 &= ()# 347&$# :4(# 1$&56()# ;&53A *)# 3#=10$( =&2 ()# 347&$# 7&:4(4&5 45 ()# 1;:#5%# &= 1 :7#%4=4#3 B1$0# 4: SANC 7$1%456 ()#347&$# 1( ()# '437&45( &= ()# ;&53A += 15< Y+bV_.N 8#<?&23: 12# 72#:#5(C #4()#2 45 ()# '1:(#2 =&2%#=4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#C ()#5 *+,-./ 2#I042#: ()1( :7#%41$ Y+bV_.N 7121'#(#2: ;# 64B#5=&2 1$$ ;&53 347&$#: 45 N@'#';#2#3 2456:A +5 ()# 1;:#5%# &= 15< Y+bV_.N 8#<?&23:C :(153123 Y+bV_.7121'#(#2: ?4$$ ;# 0:#3 =&2 ;&53: 45 N@'#';#2#3 2456:A I#GJP&"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# 347&$#@347&$# 7&(#5(41$ #5#26<(#2' ;#(?##5 7142: &= ;&53 347&$#:A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:#&= ()# 7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025:&== 1$$ 7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A I#'&?"`11`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& ()#7#2'15#5( F342#%(H =4#$3 30# (& 1(&': ?4()45 1 7&$124K1(4&5 62&07 302456 15 4530%#3 347&$#%1$%0$1(4&5C &$!$C 1(&': ()1( 12# 45 ()# :1'# 7&$124K1(4&5 62&07 1: ()# 1(&' ;#456 7&$124K#3A *)#3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# Y+/.U*@GG@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$#&2 ()# 8#<=4$#A I#'&?"`1D`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& ()#7#2'15#5( F342#%(H =4#$3 30# (& 1(&': 45 G@J 7&$124K1(4&5 62&07: 302456 15 4530%#3 347&$#%1$%0$1(4&5C &$!$C 1(&': ()1( 12# 45 7&$124K1(4&5 62&07: 342#%($< %&55#%(#3 (& ()# 62&07 %&5(145456 ()#1(&' ;#456 7&$124K#3A *)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# Y+/.U*@GJ@WU\_. 8#<?&23 4: 5&( 64B#545 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A I#'&?"`1L`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& ()#7#2'15#5( F342#%(H =4#$3 30# (& 1(&': 45 G@L 7&$124K1(4&5 62&07: 302456 15 4530%#3 347&$#%1$%0$1(4&5C &$!$C 1(&': ()1( 12# 45 7&$124K1(4&5 62&07: :#7121(#3 ;< &5# 62&07 =2&' ()# 62&07%&5(145456 ()# 1(&' ;#456 7&$124K#3A *)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# Y+/.U*@GL@WU\_.8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A I#'&?"`1W`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& ()#7#2'15#5( F342#%(H =4#$3 30# (& 1(&': 45 G@M 7&$124K1(4&5 62&07: 302456 15 4530%#3 347&$#%1$%0$1(4&5C &$!$C 1(&': ()1( 12# 45 7&$124K1(4&5 62&07: :#7121(#3 ;< (?& 62&07: =2&' ()# 62&07%&5(145456 ()# 1(&' ;#456 7&$124K#3A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# Y+/.U*@GM@WU\_.8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A I#Z&'-& a+*;Bb *)4: 8#<?&23 4: 0:#3 ;< ()# W\YY_. 72&621' (& :#( ()# '1>4'0' 1$$&?#3 B1$0#&= ()# 21(4& &= ()# 62134#5( $#56() 1$&56 ()# 71() (& ()# (&(1$ 62134#5( 5&2' 1( ()# #53 &= 1 %<%$# &='454'4K1(4&5 7#27#534%0$12 (& ()# 71()A += ()# B1$0# 72&B43#3 ;< ()# Y+c./e. 8#<?&23 4: #>%##3#3C()#5 15&()#2 %<%$# &= '1>4'4K1(4&5 1$&56 ()# 71() 4: 2#I042#3A \ 3#=10$( B1$0# &= SASSN 4: 0:#3 45 ()#1;:#5%# &= ()# Y+c./e. 8#<?&23A IGP`?("J>> a+*;Bb W#(: ()# %0(&== 34:(15%# B1$0# 45 \56:(2&': =&2 ;&53 347&$#@;&53 347&$##$#%(2&:(1(4% 7&(#5(41$ #5#26< 45(#21%(4&5:A *)# #5#26< =&2 15< 7142 &= ;&53 347&$# :4(#: ;#<&53 ()#

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42 "#$%&' ()*+,) -./0* 42

%0(&== 34:(15%# ?4$$ ;# :#( (& K#2&A V()#2 8#<?&23: %15 ;# 0:#3 (& :#$#%( 1 :'&&()456 :%)#'# 5#12 ()#%0(&== 34:(15%#A *)# 3#=10$( %0(&== 34:(15%# 45 ()# 1;:#5%# &= ()# Yb_@U^*V]] 8#<?&23 4: #::#5(41$$<45=454(# =&2 5&57#24&34% :<:(#': 153 GSAS =&2 7#24&34% :<:(#':A IGP`"NG&' a+*;Bb *)4: 8#<?&23 1$$&?: '&34=4%1(4&5 &= ()# %0(&== ?453&?: =&2 ;&53 347&$#@;&53347&$# #$#%(2&:(1(4% 7&(#5(41$ #5#26< 45(#21%(4&5:A +( 4: :4'4$12 45 =&2' 153 1%(4&5 (& ()# *\b./8#<?&23C #>%#7( ()1( 4(: B1$0# 177$4#: &5$< (& ()# B3? 7&(#5(41$A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &=()# Yb_@*\b./ 8#<?&23 4: (& ;#645 ()# %0(&== ?453&? 1( SAPN &= ()# 347&$# %0(&== 34:(15%#A &?YJ a4*H4 )4+/3Xb *)# 72#:#5%# &= ()4: 8#<?&23 %10:#: ?)1(#B#2 (#>( =&$$&?: 4( &5 ()# $45# (& ;#%&74#3 342#%($< (& ()# &0(70( =4$#A *)4: 8#<?&23 4: 1$:& 1%(4B# 45 7121'#(#2 =4$#:A +( )1: 5& 3#=10$(B1$0#l 4= 5& (#>( =&$$&?: ()# .UXV 8#<?&23C 1 ;$158 $45# 4: 7$1%#3 45 ()# &0(70( =4$#A &P&?"$&- aL /34*X*+) M 1 +*;Bb *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# #$#%(2&5#61(4B4(<;&53 $#56() %&22#%(4&5 7121'#(#2A *)# =42:( (?& 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: &= ()#1(&': 45B&$B#3 45 ()# ;&53 (& ;# %&22#%(#3A *)# ()423 45(#6#2 '&34=4#2 4: ()# 1(&' %$1:: &= 15#$#%(2&5#61(4B# 1(&'A +5 ()# %1:# &= 1 724'12< %&22#%(4&5C 15 1(&' &= ()4: ()423 %$1:: '0:( ;# 342#%($<;&53#3 (& 15 1(&' &= ()# :#%&53 1(&' %$1::A ]&2 1 :#%&5312< %&22#%(4&5C ()# ()423 %$1:: 4: &5# 1(&'2#'&B#3 =2&' 15 1(&' &= ()# :#%&53 %$1::A *)# 2#1$ 50';#2 '&34=4#2 4: ()# B1$0# 45 m ;< ?)4%) ()#&246451$ 43#1$ ;&53 $#56() 4: (& ;# %&22#%(#3A &$>J'?&`?Y#'NP#"R *)4: 8#<?&23 %10:#: ()# %)421$4(< =&053 1( %)421$ (#(21B1$#5( %#5(#2: 45 ()#4570( :(20%(02# (& ;# '145(145#3 302456 *+,-./ %1$%0$1(4&5:A *)# (#:( =&2 %)421$4(< 4: 5&( #>)10:(4B#l(?& 43#5(4%1$ '&5&B1$#5( 1(&': %&55#%(#3 (& 1 %#5(#2 %10:# 4( (& ;# '128#3 1: 5&5@%)421$C ;0( $126##I04B1$#5( :0;:(4(0#5(: 12# 5&( 3#(#%(#3A *24B1$#5( ZZ%)421$[[ %#5(#2:C =&2 #>1'7$# ()# 1$7)1 %12;&5 45054(#3@1(&' 72&(#45 :(20%(02#:C 12# 5&( #5=&2%#3 1: %)421$A &G8#PJ$'(P& a-&JO&"'#?cN'#"YO&"#?cYN'OJ$#?cYY-b *)4: 8#<?&23 :#$#%(: ()#%&';45456 20$# 0:#3 (& 3#24B# ()# ! B1$0# =&2 B15 3#2 "11$: 45(#21%(4&5:A *)# 3#=10$( 45 ()# 1;:#5%#&= ()# .bW+_V,/^_. 8#<?&23 4: (& 0:# ()# e.VT.*/+U '#15 &= ()# 4534B4301$ ! B1$0#: &= ()# (?&1(&': 45B&$B#3 45 ()# B15 3#2 "11$: 45(#21%(4&5A &<NPI *)4: 8#<?&23 (025: &5 ()# 0:# &= .?1$3 :0''1(4&5 302456 %&'70(1(4&5 &= #$#%(2&:(1(4%45(#21%(4&5: 45 7#24&34% :<:(#':A +5 ()# %022#5( B#2:4&5 &= *+,-./C 2#60$12 .?1$3 4: 0:#3 =&27&$124K1;$# 1(&'4% '0$(47&$#:C 153 :'&&() 712(4%$# '#:) .?1$3 FbT.H 4: 0:#3 =&2 %)126#@%)126#45(#21%(4&5:A .?1$3 :0''1(4&5 4: 5&( 1B14$1;$# =&2 45(#21%(4&5: 45B&$B456 ;&53@%#5(#2#3 347&$#:A d<3#=10$(C 45 ()# 1;:#5%# &= ()# ."\_Y 8#<?&23C 34:(15%#@;1:#3 %0(&==: 12# 0:#3 =&2 #$#%(2&:(1(4%45(#21%(4&5:A &<NPI`NPGYN a+*;Bb W#(: ()# B1$0# &= ()# .?1$3 %&#==4%4#5( ?)4%) %&5(2&$: ()# ?43() &= ()#e10::415 :%2##5456 %)126#: 302456 712(4%$# '#:) .?1$3 :0''1(4&5A +5 ()# 1;:#5%# &= ()# ."\_Y@\_bX\ 8#<?&23C 1 B1$0# 4: %)&:#5 ?)4%) %10:#: 45(#21%(4&5: &0(:43# ()# 2#1$@:71%# %0(&== (& ;#;#$&? 1 =4>#3 (&$#215%#A ]&2 '&:( :(153123 177$4%1(4&5: &= .?1$3 :0''1(4&5C ()# 72&621' 3#=10$(:)&0$3 ;# 0:#3A &<NPI`VJ($IN'R *)4: 8#<?&23 45B&8#: ()# 0:# &= 45:0$1(456 F&!; B1%00'H ;&05312< %&534(4&5:302456 .?1$3 :0''1(4&5C %&22#:7&53456 (& ()# '#341 :022&053456 ()# :<:(#' )1B456 1 34#$#%(24%B1$0# &= GA *)# 3#=10$( 45 ()# 1;:#5%# &= ()# ."\_Y@dV^,Y\/k 8#<?&23 4: (& 0:# %&530%(456 F&!;(45=&4$H ;&05312< %&534(4&5: ?)#2# ()# :022&053456 '#341 4: 1::0'#3 (& )1B# 15 45=454(# 34#$#%(24%B1$0#A

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43 "#$%&' ()*+,) -./0* 43

&<NPI`?("J>> a+*;Bb W#(: ()# B1$0# 45 \56:(2&': &= ()# 2#1$@:71%# 34:(15%# %0(&== =&2 0:# 302456.?1$3 :0''1(4&5A d< 3#=10$(C 45 ()# 1;:#5%# &= ()# ."\_Y@U^*V]] 8#<?&23C 1 B1$0# &= RAS 4: 0:#3A &Q#"`GN(8& *)4: 8#<?&23 %10:#: *+,-./ 72&621': (& 710:# 153 ?14( =&2 1 %122416# 2#(025 1( ()##53 &= #>#%0(1(4&5 724&2 (& 2#(025456 %&5(2&$ (& ()# &7#21(456 :<:(#'A *)4: 4: 0:#=0$ (& 8##7 ()##>#%0(4&5 ?453&? &7#5 =&$$&?456 (#2'451(4&5 &5 '1%)45#: 2055456 T4%2&:&=( "453&?: &2 \77$#T1%VWA *)# 3#=10$( 45 ()# 1;:#5%# &= ()# .`+*@b\^W. 8#<?&23C 4: (& 2#(025 %&5(2&$ (& ()# &7#21(456:<:(#' 4''#341(#$< 1( 72&621' (#2'451(4&5A &Q"'N"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# 0:#2 3#=45#3 #>(21 7&(#5(41$ #5#26<(#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)# ,V,.&7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26<(#2': #>%#7( =&2 ()4: &5#A >?"O#$ a+*;Bb *)4: 8#<?&23 :#(: 1 %&5B#26#5%# %24(#24&5 =&2 :0%%#::=0$ %&'7$#(4&5 &= 1 *+,-./&7(4'4K1(4&5A += ()# B1$0# &= ()# &7(4'4K1(4&5 &;D#%(4B# =05%(4&5C (<74%1$$< ()# 7&(#5(41$ #5#26<C =1$$:;#$&? ()# B1$0# :#( ;< ]U*T+,C ()#5 ()# &7(4'4K1(4&5 4: 3##'#3 (& )1B# %&5B#26#3A *)# 3#=10$(B1$0# 45 ()# 1;:#5%# &= ()# ]U*T+, 8#<?&23 4: @GSSSSSSC #==#%(4B#$< 2#'&B456 ()4: %24(#24&5 1: 17&::4;$# 16#5( =&2 (#2'451(4&5A >J'?&>#&PI a3;C*b *)4: 8#<?&23 72&B43#: 1 51'# =&2 ()# =&2%# =4#$3 (& ;# 0:#3 45 ()# %022#5(%1$%0$1(4&5A +(: B1$0# 4: 0:01$$< :#( 45 ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$# =&2 ()# %1$%0$1(4&5 F:## ()#b\/\T.*./W 8#<?&23H 45:(#13 &= 45 ()# 8#<=4$#A >'#?"#J$ a+*;Bb W#(: ()# B1$0# &= ()# =24%(4&51$ %&#==4%4#5( 45 7:@G =&2 0:# ?4() :(&%)1:(4% 3<51'4%:A*)# 3#=10$( B1$0# 0:#3 45 ()# 1;:#5%# &= ()# ]/+U*+V, 8#<?&23 4: RGASC ?)4%) 4: 6#5#21$$<1772&7241(# =&2 ?1(#2A >'#?"#J$`8?NP#$- *)4: 8#<?&23 (025: &5 ()# 0:# &= 1(&'4% :02=1%# 12#1@;1:#3 :%1$456 &= ()#=24%(4&51$ %&#==4%4#5( 302456 :(&%)1:(4% 3<51'4%:A ")#5 45 0:#C ()# %&#==4%4#5( =&2 #1%) 1(&' 4:'0$(47$4#3 ;< ()1( 1(&'[: =21%(4&5 &= #>7&:#3 :02=1%# 12#1A *)# 3#=10$( 45 ()# 1;:#5%# &= ()# 8#<?&234: (& &'4( ()# :%1$456 153 0:# ()# =0$$ %&#==4%4#5( B1$0# =&2 #1%) 1(&'A -NOON a+*;Bb W#(: ()# B1$0# &= ()# ' 156$# &= 1 %2<:(1$ 054( %#$$C &$!$C ()# 156$# ;#(?##5 ()# 1@1>4:153 ;@1>4: &= 1 054( %#$$C &2C #I04B1$#5($<C ()# 156$# ;#(?##5 ()# `@1>4: 153 k@1>4: &= 1 7#24&34% ;&>A*)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# e\TT\ 8#<?&23 4: (& :#( ()# ' 156$# #I01$ (& ()# " 156$# 1:64B#5 ;< ()# 8#<?&23 \_bX\A -NOON`YNP-'&$ a+*;Bb W#(: ()# B1$0# &= ()# ' 7121'#(#2 45 X1$62#5[: ;0==#2#3 GM@P B3?7&(#5(41$ #5#26< =05%(4&51$ =&2'A +5 ()# 1;:#5%# &= ()# Y._*\@X\_e/., 8#<?&23C 1 3#=10$( B1$0# &=SAGJ 4: 0:#3A -NOONO#$ a+*;Bb W#(: ()# %&5B#26#5%# (126#( B1$0# =&2 ' 302456 :#12%)#: =&2 '1>4'1 1$&56 ()#I01321(4% :<5%)2&5&0: (215:4( 0:#3 ;< ()# W\YY_. 72&621'A *)# B1$0# &= ' 4: ()# :I012# &= ()# 21(4&&= ()# 62134#5( 72&D#%(4&5 1$&56 ()# 71() (& ()# (&(1$ 62134#5(A \ 3#=10$( B1$0# &= SASSSSG 4: 0:#3 45()# 1;:#5%# &= ()# e\TT\T+, 8#<?&23A -N(88"RG& aPe`DcPe`WcOOD`DcOOL`Dc#$`GPN?&b *)4: 8#<?&23 :7#%4=4#: ()# 053#2$<456 B3?=&2' ()1( 1 e10::415 B3? 1772&>4'1(4&5 ?4$$ 1((#'7( (& =4(A50';#2 &= (#2': (& ;# 0:#3 45 1 e10::4151772&>4'1(4&5 &= ()# _#55123@g&5#: B15 3#2 "11$: 7&(#5(41$A *)# (#>( '&34=4#2 64B#: ()# 51'# &= ()#=05%(4&51$ =&2' (& ;# 0:#3A *)0: _g@J 1: 1 '&34=4#2 ?4$$ 2#:0$( 45 1 J@e10::415 =4( (& 1 _#55123@g&5#:

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44 "#$%&' ()*+,) -./0* 44

B3? 7&(#5(41$A *)# e\^WW*kb. 8#<?&23 &5$< (18#: #==#%( ?)#5 cY"*kb. 4: :#( (& e\^WW+\,A *)4:8#<?&23 )1: 5& 3#=10$( B1$0#A -'J(G a/34*X*+U /34*X*+ B/)4b *)4: 8#<?&23 3#=45#: 15 1(&' 62&07 1: 1 :0;:(20%(02# ?4()45 ()#=0$$ 4570( '&$#%0$12 :(20%(02#A *)# B1$0# &= ()# =42:( 45(#6#2 4: ()# 62&07 50';#2 ?)4%) '0:( ;# 45 ()#2156# =2&' G (& ()# '1>4'0' 50';#2 &= 1$$&?#3 62&07:A *)# 2#'145456 45(#26#2: 64B# ()# 1(&' &21(&': %&5(145#3 45 ()4: 62&07 1: &5# &2 '&2# 1(&' 50';#2: &2 2156#:A T0$(47$# 8#<?&23 $45#: %15;# 0:#3 (& :7#%4=< 1334(4&51$ 1(&': 45 ()# :1'# 62&07A ,&(# ()1( 15 1(&' %15 &5$< ;# 45 &5# 62&07C()# $1:( 62&07 (& ?)4%) 4( 4: 1::465#3 4: ()# &5# 0:#3A -'J(G`#$"&' *)4: 8#<?&23 1::465: 1 B1$0# &= GAS (& 1$$ 45(#2@62&07 45(#21%(4&5: 153 1 B1$0# &= SAS(& 1$$ 45(21@62&07 45(#21%(4&5:A ]&2 #>1'7$#C %&';451(4&5 ?4() ()# e/V^b@TV_.U^_. 8#<?&2372&B43#: =&2 24643@;&3< %1$%0$1(4&5:A -'J(G`#$"'N *)4: 8#<?&23 1::465: 1 B1$0# &= GAS (& 1$$ 45(21@62&07 45(#21%(4&5: 153 1 B1$0# &=SAS (& 1$$ 45(#2@62&07 45(#21%(4&5:A -'J(G`OJP&?(P& *)4: 8#<?&23 :#(: #1%) 4534B4301$ '&$#%0$# 45 ()# :<:(#' (& ;# 1 :#7121(#1(&' 62&07C ;0( 3&#: 5&( 1::465 ?#46)(: (& 62&07@62&07 45(#21%(4&5:A -'J(G`8&P&?" aD /34*X*+)U +*;Bb *)4: 8#<?&23 64B#: ()# ?#46)( 45 ()# =451$ 7&(#5(41$ #5#26< &= 1:7#%4=4#3 :#( &= 45(21@ &2 45(#262&07 45(#21%(4&5:A *)# 45(#6#2 '&34=4#2: 64B# ()# 62&07 50';#2: &= ()#62&07: 45B&$B#3A += ()# (?& 50';#2: 12# ()# :1'#C ()#5 15 45(2162&07 :#( &= 45(#21%(4&5: 4: :7#%4=4#3A*)# 2#1$ '&34=4#2 64B#: ()# ?#46)( ;< ?)4%) 1$$ #5#26#(4% 45(#21%(4&5: 45 ()4: :#( ?4$$ ;# '0$(47$4#3;#=&2# 45%&27&21(4&5 45(& ()# =451$ 7&(#5(41$ #5#26<A += &'4((#3 1: 1 8#<?&23 '&34=4#2C ()# ?#46)( ?4$$;# :#( (& GAS ;< 3#=10$(A += 15< W._.U*@e/V^b 8#<?&23: 12# 72#:#5(C ()#5 15< :#( &= 45(#21%(4&5: 5&(:7#%4=4#3 45 1 W._.U*@e/V^b 8#<?&23 4: 64B#5 1 K#2& ?#46)(A *)# 3#=10$( ?)#5 5& W._.U*@e/V^b8#<?&23: 12# :7#%4=4#3 4: (& 0:# 1$$ 45(#262&07 45(#21%(4&5: ?4() 1 ?#46)( &= GAS 153 (& :#( 1$$45(2162&07 45(#21%(4&5: (& K#2&A YVJ$I aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 ()# TTL@:(<$# 342#%(4&51$)<32&6#5 ;&53456 7121'#(#2: =&2 1 :456$# 7142 &= 1(&':A *)# 45(#6#2 '&34=4#2: 64B# ()# 7142 &= 1(&'%$1:: 50';#2: =&2 ?)4%) )<32&6#5 ;&53456 7121'#(#2: 12# (& ;# 3#=45#3A *)# (?& 2#1$ 50';#2'&34=4#2: 64B# ()# B1$0#: &= ()# '454'0' #5#26< %&5(1%( 34:(15%# 45 m 153 ()# ?#$$ 3#7() 1( ()#'454'0' 34:(15%# 45 8%1$a'&$#A Y&88`?("J>> a+*;Bb *)4: 8#<?&23 3#=45#: 1 $&?#2 $4'4( =&2 :4654=4%15( X#::415 '1(24> #$#'#5(:AY02456 %&'70(1(4&5 &= ()# X#::415 '1(24> &= 712(41$ :#%&53 3#24B1(4B#:C 15< '1(24> #$#'#5(: ?4()1;:&$0(# B1$0# ;#$&? X.WW@U^*V]] ?4$$ ;# :#( (& K#2& 153 &'4((#3 =2&' ()# :712:# '1(24> X#::415:(&216# :%)#'# 0:#3 ;< *+,-./A ]&2 '&:( %1$%0$1(4&5:C ()# 3#=10$( 45 ()# 1;:#5%# &= ()4: 8#<?&23 4:K#2&C 4A#AC 1$$ #$#'#5(: ?4$$ ;# :(&2#3A ]&2 '&:( *205%1(#3 ,#?(&5 &7(4'4K1(4&5: ()# X#::415 %0(&==?4$$ ;# %)&:#5 3<51'4%1$$< ;< ()# &7(4'4K#2A Y-(&88 a+*;Bb W#(: 15 454(41$ 60#:: =&2 ()# 1B#216# B1$0# &= ()# 3416&51$ #$#'#5(: &= ()# :%1$#345B#2:# X#::415 '1(24> 0:#3 ;< ()# &7(4'1$$< %&534(4&5#3 B1241;$# '#(24% &7(4'4K1(4&5 2&0(45#A \3#=10$( B1$0# &= SAM 4: 0:#3 45 ()# 1;:#5%# &= ()# Xe^.WW 8#<?&23A #OG'JG&' aW /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# UX\/TT@:(<$#4'72&7#2 34)#321$ 156$# 7121'#(#2A

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45 "#$%&' ()*+,) -./0* 45

#OG'JG"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# UX\/TT@:(<$# 4'72&7#2 34)#321$156$# 7&(#5(41$ #5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A #OG'JG($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()#UX\/TT@:(<$# 4'72&7#2 34)#321$ 156$# 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%#=4#$3 3#7#53#5( 153 (<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)#3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# +Tb/Vb^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$#&2 ()# 8#<=4$#A #OG"J'8 aW /34*X*+) M .@ 45 L +*;Bc+*;Bc/34*X*+ 4+/@B*)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&21 :456$# \Td./@:(<$# 4'72&7#2 (&2:4&51$ 156$# 7121'#(#2A *)# =42:( =&02 45(#6#2 '&34=4#2: 64B# ()#1(&' %$1:: 50';#2: =&2 ()# 1(&': 45B&$B#3 45 ()# 4'72&7#2 (&2:4&51$ 156$# (& ;# 3#=45#3A d<%&5B#5(4&5C ()# ()423 1(&' %$1:: &= ()# =&02 4: ()# (246&51$ 1(&' &5 ?)4%) ()# 4'72&7#2 (&2:4&5 4:%#5(#2#3A *)# (&2:4&51$ 156$# %&'70(#3 4: $4(#21$$< ()1( 3#=45#3 ;< ()# =&02 1(&' %$1::#: 45 ()# &23#2:7#%4=4#3 ;< ()# 8#<?&23A .1%) &= ()# 2#'145456 (247$#: &= 2#1$a2#1$a45(#6#2 '&34=4#2: 64B# ()# )1$=@1'7$4(03#C 7)1:# &==:#( 45 3#62##: 153 7#24&34%4(< &= 1 712(4%0$12 4'72&7#2 (&2:4&51$ (#2'C2#:7#%(4B#$<A b#24&34%4(4#: ()2&06) L@=&$3 12# 1$$&?#3 =&2 4'72&7#2 (&2:4&51$ 7121'#(#2:A #OG"J'8"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# \Td./@:(<$# 4'72&7#2 (&2:4&51$156$# 7&(#5(41$ #5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A #OG"J'8($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()#\Td./@:(<$# 4'72&7#2 (&2:4&51$ 156$# 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%#=4#$3 3#7#53#5( 153 (<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)#3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# +Tb*V/W^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$#&2 ()# 8#<=4$#A #$N?"#Z& a/34*X*+ B/)4b W#(: ()# $4:( &= 451%(4B# 1(&': 302456 1 *+,-./ %&'70(1(4&5A +534B4301$7&(#5(41$ #5#26< (#2': 12# 5&( %&'70(#3 ?)#5 1$$ 1(&': 45B&$B#3 45 ()# (#2' 12# 451%(4B#A ]&2U12(#:415 :71%# %1$%0$1(4&5:C 451%(4B# 1(&': 12# 5&( 1$$&?#3 (& '&B#A ]&2 (&2:4&51$ :71%#%1$%0$1(4&5:C 2&(1(4&5: 12# 5&( 1$$&?#3 ?)#5 ()#2# 12# 451%(4B# 1(&': &5 ;&() :43#: &= ()# 2&(1(#3;&53A T0$(47$# +,\U*+c. $45#: %15 ;# 72#:#5( 45 ()# 8#<=4$#C 153 &5 #1%) $45# ()# 8#<?&23 %15 ;#=&$$&?#3 ;< &5# &2 '&2# 1(&' 50';#2: &2 2156#:A += 15< +,\U*+c. 8#<: 12# =&053C 1$$ 1(&': 12# :#((& 1%(4B# #>%#7( ()&:# $4:(#3 &5 ()# +,\U*+c. $45#:A *)# \U*+c. 8#<?&23 &B#2243#: 1$$ +,\U*+c.8#<?&23: =&053 45 ()# 8#<=4$#A #$"&-'N"& aZ&'P&"cV&&ON$c8"J?YN8"#?c'#-#IVJIRb U)&&:#: ()# 45(#621(4&5 '#()&3 =&272&7161(4&5 &= 3<51'4%: (21D#%(&24#:A *)# 8#<?&23 4: =&$$&?#3 &5 ()# :1'# $45# ;< ()# 51'# &= ()#&7(4&5A W(153123 ,#?(&5415 TY %15 ;# 205 0:456 #4()#2 c./_.* =&2 ()# c#$&%4(< c#2$#( '#()&3C &2d..T\, =&2 ()# B#$&%4(< =&2' &= d#254# d2&&8[: ZZd#((#2 d##'15[[ '#()&3A \ c#$&%4(< c#2$#(@;1:#3:(&%)1:(4% 3<51'4%: (21D#%(&2< 4: :#$#%(#3 ;< ()# W*VUX\W*+U '&34=4#2A \ 24643@;&3< 3<51'4%:'#()&3 4: :#$#%(#3 ;< ()# /+e+YdVYk '&34=4#2A *)# 3#=10$( 45(#621(4&5 :%)#'# 4: TY 0:456 ()#d..T\, '#()&3A #$"ONQ a/34*X*+b W#(: ()# '1>4'0' 50';#2 &= 45(#27&$1(4&5 %<%$#: ()1( ?4$$ ;# 1$$&?#3 302456()# $45# :#12%) 7)1:# &= 15 &7(4'4K1(4&5A \$$ 62134#5(@;1:#3 *+,-./ &7(4'4K1(4&5 2&0(45#: 0:# 1%&''&5 $45# :#12%) 2&0(45# 45B&$B456 I01321(4% #>(217&$1(4&5 153 %0;4% 45(#27&$1(4&5A += ()# B1$0# &=+,*T\` 4: 2#1%)#3C 15 #22&2 :(1(0: 4: :#( =&2 ()# $45# :#12%) 153 ()# :#12%) 4: 2#7#1(#3 ?4() 1 '0%)

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46 "#$%&' ()*+,) -./0* 46

:'1$$#2 454(41$ :(#7 :4K#A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()4: 8#<?&23 4: &7(4'4K1(4&5 2&0(45#3#7#53#5(C ;0( 4: 0:01$$< 45 ()# 2156# N (& GSA PNOVIN a+*;Bb *)4: 8#<?&23 :#(: ()# B1$0# &= ()# ( 71() 7121'#(#2 =&2 =2## #5#26< 7#2(02;1(4&5%1$%0$1(4&5:A *)# 2#1$ 50';#2 '&34=4#2 :7#%4=4#: ()# 7&:4(4&5 1$&56 ()# '0(1(4&5 71() 153 '0:( ;# 150';#2 45 ()# 2156# =2&' S F454(41$ :(1(#H (& G F=451$ :(1(#HA *)# 1%(01$ 1(&': 45B&$B#3 45 ()# '0(1(4&512# 64B#5 :#7121(#$< 45 4534B4301$ T^*\*. 8#<?&23 $45#:A PV>-8`Z&?"J'8 a/34*X*+b W#(: ()# 50';#2 &= %&22#%(4&5 B#%(&2: 0:#3 ;< ()# $4'4(#3@'#'&2< _@d]eW &7(4'4K1(4&5 2&0(45#A *)# %022#5( '1>4'0' 1$$&?1;$# B1$0#C 153 ()# 3#=10$( 45 ()# 1;:#5%# &=()# _d][email protected]*V/W 8#<?&23 4: GNA P#-Y"8 *)4: 8#<?&23 (025: &5 T#()&3 &= _46)(: 5#46);&2 6#5#21(4&5 =&2 ()# 712(41$ %)126##$#%(2&:(1(4%: 153 15< &= ()# B15 3#2 "11$: 7&(#5(41$:A *)4: '#()&3 ?4$$ <4#$3 43#5(4%1$ #5#26#(4%2#:0$(: (& ()# :(153123 3&0;$# $&&7 '#()&3A T#()&3 &= _46)(: ?4$$ ;# =1:(#2 ?)#5 ()# B&$0'# &= 1:7)#2# ?4() 21340: #I01$ (& ()# 5&5;&53 %0(&== 34:(15%# 4: :4654=4%15($< $#:: ()15 )1$= ()# B&$0'# &=()# (&(1$ :<:(#' F&$!$C ()# =0$$ '&$#%0$12 :<:(#'C ()# %2<:(1$ 054( %#$$ &2 ()# 7#24&34% ;&>HA +( 2#I042#:$#:: :(&216# ()15 7142?4:# 5#46);&2 $4:(:A P#8"`V(>>&' a+*;Bb W#(: ()# :4K# &= ()# 5#46);&2 $4:( ;0==#2 45 \56:(2&':A *)4: B1$0# 4: 133#3 (&()# 1%(01$ %0(&== 34:(15%# (& 3#(#2'45# ?)4%) 7142: ?4$$ ;# 8#7( &5 ()# 5#46);&2 $4:(A *)# :1'# ;0==#2B1$0# 4: 0:#3 =&2 1$$ 5#46);&2 $4:(:A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= JAS 4: 0:#3 45 ()# 1;:#5%# &= ()#_+W*@d^]]./ 8#<?&23A ONQ#"&' a/34*X*+b W#(: ()# '1>4'0' 50';#2 &= '454'4K1(4&5 4(#21(4&5: ()1( ?4$$ ;# 1$$&?#3 =&215< *+,-./ 72&621' ()1( 0:#: 15< &= ()# 5&5$45#12 &7(4'4K1(4&5 2&0(45#:A *)# 3#=10$( B1$0# 45 ()#1;:#5%# &= ()4: 8#<?&23 4: 72&621' 3#7#53#5(C ;0( 4: 1$?1<: :#( (& 1 B#2< $126# 50';#2A O&"NP *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# (215:4(4&5 '#(1$ $46153 =4#$3 7121'#(#2A ()*+*-." /+01)23 ." 42+"+5* .5 *-+ 6)3+7 89* 5)* :6*.!+ .5 *-+ 6922+5* !+2".)5 ); <=(>?@A O&"NP"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# (215:4(4&5 '#(1$ $46153 =4#$37&(#5(41$ #5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A OOD`8"'V$I *)4: 8#<?&23 :?4(%)#: ()# ;#)1B4&2 &= ()# :(2#(%)@;#53 7&(#5(41$ =05%(4&5 (& '1(%)()# =&2'0$1(4&5 0:#3 ;< ()# TTJ =&2%# =4#$3A +5 TTJC :(2#(%)456 &= ;&53: (& 1((1%)#3 )<32&6#51(&': 4: 5&( 45%$03456 45 %&'70(456 ()# :(2#(%)@;#53 %2&:: (#2' #5#26<A *)# 3#=10$( ;#)1B4&2 45 ()#1;:#5%# &= ()4: 8#<?&23 4: (& 45%$03# :(2#(%)456 &= 1((1%)#3 )<32&6#5 1(&': 1: 45 ()# TTL =&2%#=4#$3A OGJP&`1D`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&7#2'15#5( 1(&'4% '0$(47&$# #$#%(2&:(1(4% 45(#21%(4&5: ;#(?##5 G@J %&55#%(#3 1(&':C &$!$C 1(&': ()1(12# 342#%($< ;&53#3A *)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# TbV_.@GJ@WU\_. 8#<?&23 4: 5&( 64B#5 45#4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A OGJP&`1L`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&7#2'15#5( 1(&'4% '0$(47&$# #$#%(2&:(1(4% 45(#21%(4&5: ;#(?##5 G@L %&55#%(#3 1(&':C &$!$C 1(&'::#7121(#3 ;< (?& %&B1$#5( ;&53:A *)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# TbV_.@GL@WU\_. 8#<?&23 4:5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A

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47 "#$%&' ()*+,) -./0* 47

OGJP&`1W`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&7#2'15#5( 1(&'4% '0$(47&$# #$#%(2&:(1(4% 45(#21%(4&5: ;#(?##5 G@M %&55#%(#3 1(&':C &$!$C 1(&'::#7121(#3 ;< ()2## %&B1$#5( ;&53:A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# TbV_.@GM@WU\_. 8#<?&234: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A OGJP&`1[`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&7#2'15#5( 1(&'4% '0$(47&$# #$#%(2&:(1(4% 45(#21%(4&5: ;#(?##5 G@N %&55#%(#3 1(&':C &$!$C 1(&'::#7121(#3 ;< =&02 %&B1$#5( ;&53:A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# TbV_.@GN@WU\_. 8#<?&234: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A OGJP&`?("J>> a+*;Bb W#(: ()# %0(&== 34:(15%# B1$0# 45 \56:(2&': =&2 1(&'4% '0$(47&$# 7&(#5(41$#5#26< 45(#21%(4&5:A *)# #5#26< =&2 15< 7142 &= :4(#: ;#<&53 ()# %0(&== 34:(15%# ?4$$ ;# :#( (& K#2&AV()#2 8#<?&23: %15 ;# 0:#3 (& :#$#%( 1 :'&&()456 :%)#'# 5#12 ()# %0(&== 34:(15%#A *)# 3#=10$( %0(&==34:(15%# 45 ()# 1;:#5%# &= ()# TbV_.@U^*V]] 8#<?&23 4: 45=454(# =&2 5&57#24&34% :<:(#': 153 RAS=&2 7#24&34% :<:(#':A OGJP&`"NG&' a+*;Bb *)4: 8#<?&23 1$$&?: '&34=4%1(4&5 &= ()# %0(&== ?453&? =&2 1(&'4% '0$(47&$#7&(#5(41$ #5#26< 45(#21%(4&5:A +( 4: :4'4$12 45 =&2' 153 1%(4&5 (& ()# *\b./ 8#<?&23C #>%#7( ()1( 4(:B1$0# 177$4#: &5$< (& ()# 1(&'4% '0$(47&$# 7&(#5(41$A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# TbV_.@*\b./ 8#<?&23 4: (& ;#645 ()# %0(&== ?453&? 1( SAON &= ()# %&22#:7&53456 %0(&== 34:(15%#A OGJP&"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# 1(&'4% '0$(47&$# #$#%(2&:(1(4%:7&(#5(41$ #5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A O(P"#GJP& a[ B/3*) :/47f L 5+ W /34*X*+) M 1 +*;Bg L +*;B)g 1 +*;Bg D +*;B)g L +*;B)b *)4:8#<?&23 72&B43#: ()# B1$0#: =&2 1 :#( &= 1(&'4% '0$(47&$# 7121'#(#2: 1( 1 :456$# :4(#A \ %&'7$#(#8#<?&23 #5(2< %&5:4:(: &= ()2## %&5:#I0(4B# $45#:C ()# =42:( $45# %&5(145456 ()# T^_*+bV_. 8#<?&23153 ()# (?& =&$$&?456 $45#:A *)# =42:( $45# %&5(145: ()2## 45(#6#2: ?)4%) 3#=45# ()# 1(&' (<7# &5?)4%) ()# '0$(47&$#: 12# %#5(#2#3C 153 ()# j@1>4: 153 `@1>4: 3#=45456 1(&' (<7#: =&2 ()4: %#5(#2A *)#&7(4&51$ =&02() 45(#6#2 %&5(145: ()# k@1>4: 3#=45456 1(&' (<7#C 153 4: &5$< 2#I042#3 =&2 $&%1$$< %)421$'0$(47&$# :4(#:A *)# 2#1$ 50';#2 &5 ()# =42:( $45# 64B#: ()# '&5&7&$# F1(&'4% %)126#H 45 #$#%(2&5:A*)# :#%&53 $45# %&5(145: ()2## 2#1$ 50';#2: ?)4%) 64B# ()# `@C k@ 153 j@%&'7&5#5(: &= ()# 1(&'4%347&$# 45 #$#%(2&5@mA *)# =451$ ()2## $45#:C %&5:4:(456 &= &5#C (?& 153 ()2## 2#1$ 50';#2: 64B# ()#077#2 (24156$# &= ()# (21%#$#:: 1(&'4% I013207&$# (#5:&2 45 #$#%(2&5@mJA O("N"& aL /34*X*+)b *)4: 8#<?&23 4: 0:#3 (& :7#%4=< 1(&': (& ;# '0(1(#3 302456 =2## #5#26<7#2(02;1(4&5 %1$%0$1(4&5:A *)# =42:( 45(#6#2 '&34=4#2 64B#: ()# 1(&' 50';#2 &= 15 1(&' 45 ()# %022#5(:<:(#'A *)# =451$ (?& '&34=4#2 B1$0#: 64B# ()# 1(&' (<7#: %&22#:7&53456 ()# ()# (oS 153 (oG :(1(#:&= ()# :7#%4=4#3 1(&'A O("(NP`11`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&()# 4530%#3 F'0(01$H =4#$3 30# (& 1(&': ?4()45 1 7&$124K1(4&5 62&07 302456 15 4530%#3 347&$#%1$%0$1(4&5C &$!$C 1(&': ()1( 12# 45 ()# :1'# 7&$124K1(4&5 62&07 1: ()# 1(&' ;#456 7&$124K#3A *)#3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# T^*^\_@GG@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2=4$# &2 ()# 8#<=4$#A O("(NP`1D`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&()# 4530%#3 F'0(01$H =4#$3 30# (& 1(&': 45 G@J 7&$124K1(4&5 62&07: 302456 15 4530%#3 347&$#

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48 "#$%&' ()*+,) -./0* 48

%1$%0$1(4&5C &$!$C 1(&': ()1( 12# 45 7&$124K1(4&5 62&07: 342#%($< %&55#%(#3 (& ()# 62&07 %&5(145456 ()#1(&' ;#456 7&$124K#3A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# T^*^\_@GJ@WU\_. 8#<?&23 4: 5&( 64B#545 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A O("(NP`1L`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&()# 4530%#3 F'0(01$H =4#$3 30# (& 1(&': 45 G@L 7&$124K1(4&5 62&07: 302456 15 4530%#3 347&$#%1$%0$1(4&5C &$!$C 1(&': ()1( 12# 45 7&$124K1(4&5 62&07: :#7121(#3 ;< &5# 62&07 =2&' ()# 62&07%&5(145456 ()# 1(&' ;#456 7&$124K#3A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# T^*^\_@GL@WU\_.8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A O("(NP`1W`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&()# 4530%#3 F'0(01$H =4#$3 30# (& 1(&': 45 G@M 7&$124K1(4&5 62&07: 302456 15 4530%#3 347&$#%1$%0$1(4&5C &$!$C 1(&': ()1( 12# 45 7&$124K1(4&5 62&07: :#7121(#3 ;< (?& 62&07: =2&' ()# 62&07%&5(145456 ()# 1(&' ;#456 7&$124K#3A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# T^*^\_@GM@WU\_.8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A $&#-YVJ'`-'J(G8 *)4: 8#<?&23 %10:#: ()# 1((1%)#3 1(&' (& ;# 0:#3 45 3#(#2'45456 ()#%)126#@%)126# 5#46);&2 34:(15%# =&2 1$$ '&5&B1$#5( 1(&': 45 ()# '&$#%0$12 :<:(#'A +(: 0:# %10:#: 1$$'&5&B1$#5( 1(&': (& ;# (2#1(#3 ()# :1'# 1: ()#42 1((1%)#3 1(&': =&2 7027&:#: &= 45%$03456 &2 :%1$456G@JC G@L 153 G@M 45(#21%(4&5:A *)4: &7(4&5 ?&28: &5$< =&2 ()# :4'7$# %)126#@%)126# #$#%(2&:(1(4%7&(#5(41$l 4( 3&#: 5&( 1==#%( ;&53 347&$# &2 1(&'4% '0$(47&$# 7&(#5(41$:A *)# ,.+eXdV/@e/V^bW:%)#'# 4: :4'4$12 (& ()1( 0:#3 ;< :&'# %&''&5 =&2%# =4#$3: :0%) 1: .,U\YA $&#-YVJ'`P#8" *)4: 8#<?&23 (025: &5 7142?4:# 5#46);&2 $4:(: =&2 712(41$ %)126# #$#%(2&:(1(4%:C7&$124K# '0$(47&$# #$#%(2&:(1(4%: 153 15< &= ()# B15 3#2 "11$: 7&(#5(41$:A *)4: '#()&3 ?4$$ <4#$343#5(4%1$ #5#26#(4% 2#:0$(: (& ()# :(153123 3&0;$# $&&7 '#()&3A $&("'NP`-'J(G8 *)4: 8#<?&23 %10:#: ()# 1((1%)#3 1(&' (& ;# 0:#3 45 3#(#2'45456 ()# %)126#@%)126# 45(#21%(4&5 %0(&== 34:(15%# =&2 1$$ '&5&B1$#5( 1(&': 45 ()# '&$#%0$12 :<:(#'A +(: 0:# 2#30%#:%0(&== 34:%&5(4504(4#: ;< 1B&43456 :7$4((456 '15< &= ()# $126#:( %)126# :#7121(4&5: =&053 45 (<74%1$'&$#%0$#:A ,&(# ()1( ()4: 8#<?&23 3&#: 5&( 246&2&0:$< 4'7$#'#5( ()# 0:01$ %&5%#7( &= 1 ZZ5#0(21$62&07[[ 1: 0:#3 45 ()# $4(#21(02# ?4() \Td./aVb_W 153 &()#2 =&2%# =4#$3:A *)4: &7(4&5 ?&28: &5$< =&2()# :4'7$# %)126#@%)126# #$#%(2&:(1(4% 7&(#5(41$l 4( 3&#: 5&( 1==#%( ;&53 347&$# &2 1(&'4% '0$(47&$#7&(#5(41$:A $&<Y&88 a/34*X*+b W#(: ()# 50';#2 &= 1$6&24()'4% 4(#21(4&5: ;#(?##5 2#%&'70(1(4&5 &= ()#X#::415 '1(24>A \( 72#:#5( ()4: 8#<?&23 177$4#: #>%$0:4B#$< (& &7(4'4K1(4&5: 0:456 ()# *205%1(#3,#?(&5 '#()&3A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()4: 8#<?&23 4: GC &$!$; ()# X#::415 4: %&'70(#3&5 #B#2< 4(#21(4&5A $&Q"#"&' a/34*X*+b W#(: ()# 4(#21(4&5 50';#2 (& ;# 0:#3 =&2 ()# =42:( 4(#21(4&5 &= ()# %022#5(%&'70(1(4&5A \( 72#:#5( ()4: 8#<?&23 177$4#: (& &7(4'4K1(4&5 72&%#302#: ?)#2# 4(: 0:# %15 #==#%(%&5B#26#5%# %24(#241C (4'456 &= 2#:(12(:C 153 :& =&2()A *)# 3#=10$( 45 ()# 1;:#5%# &= ()4: 8#<?&23 4: (&(18# ()# 454(41$ 4(#21(4&5 1: 4(#21(4&5 GA $J8&`ON88 a+*;Bb *)4: 8#<?&23 :#(: ()# '1:: &= 712(4%$#: '18456 07 ()# ,&:#@X&&B#2 %)145 45()1( ()#2'&:(1(456 '#()&3A *)# 3#=10$( 45 ()# 1;:#5%# &= ()# ,VW.@T\WW 8#<?&23 4: (& 0:# 1 '1:: &=SAGA $JZ&'8#J$ *025: &== ()# 0:# &= B#2:4&5 50';#2: 177#53#3 (& ()# #53 &= =4$#51'#: 1: ()# '#()&3=&2 6#5#21(456 =4$#51'#: =&2 0731(#3 %&74#: &= 15 #>4:(456 =4$#A *)# 72#:#5%# &= ()4: 8#<?&23 2#:0$(:45 342#%( 0:# &= 4570( =4$# 51'#: ?4()&0( 1 :#12%) =&2 ()# )46)#:( 1B14$1;$# B#2:4&5C 153 2#I042#: ()#

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49 "#$%&' ()*+,) -./0* 49

#5(2< &= :7#%4=4% &0(70( =4$# 51'#: 45 '15< 1334(4&51$ %1:#:A d< 3#=10$(C 45 ()# 1;:#5%# &= ()4:8#<?&23C *+,-./ 6#5#21(#: 153 1((1%)#: B#2:4&5 50';#2: 45 1 '155#2 :4'4$12 (& ()# Y464(1$V7#5cTW &7#21(456 :<:(#'A ]&2 #>1'7$#C :0;:#I0#5( 5#? B#2:4&5: &= ()# =4$# molecule.xyz?&0$3 ;# ?24((#5 =42:( (& ()# =4$# molecule.xyz_2C ()#5 (& molecule.xyz_3C !"#A J?"NY&I'J$ W7#%4=4#: ()1( ()# 7#24&34% ZZ;&>[[ 4: 1 (205%1(#3 &%(1)#32&5 ?4() '1>4'1$ 34:(15%#1%2&:: ()# (205%1(#3 &%(1)#32&5 1: 64B#5 ;< ()# \@\`+W 8#<?&23A \$$ &()#2 054( %#$$ 153 7#24&34% ;&>:4K#@3#=45456 8#<?&23: 12# 465&2#3 4= ()# VU*\X.Y/V, 8#<?&23 4: 72#:#5(A JGV&$I aD /34*X*+) M 1 +*;Bb *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# \$$456#2 TT@:(<$#&0(@&=@7$15# 156$# ;#53456 7&(#5(41$ 7121'#(#2A *)# =42:( 45(#6#2 '&34=4#2 4: ()# 1(&' %$1:: &= ()#%#5(21$ (246&51$ 1(&' 153 ()# :#%&53 45(#6#2 4: ()# 1(&' %$1:: &= ()# &0(@&=@7$15# 1(&'A *)# 2#1$50';#2 '&34=4#2 64B#: ()# =&2%# %&5:(15( B1$0# =&2 ()# &0(@&=@7$15# 156$#A *)# 3#=10$( 054(: =&2 ()#=&2%# %&5:(15( 12# 8%1$a'&$#a213415JC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# Vbd.,Y^,+* 8#<?&23A JGV&$I"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# \$$456#2 TT@:(<$# &0(@&=@7$15#;#53456 7&(#5(41$ #5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A JGV&$I($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()#\$$456#2 TT@:(<$# &0(@&=@7$15# ;#53456 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%#=4#$3 3#7#53#5( 153 (<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)#3#=10$( &= F#aGQSHJ o SASSSLSMO 4: 0:#3C 4= ()# Vbd.,Y^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$37121'#(#2 =4$# &2 ()# 8#<=4$#A JGI#8" aW /34*X*+) M 1 +*;Bb *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# &0(@&=@7$15# 34:(15%#7&(#5(41$ 7121'#(#2A *)# =42:( 45(#6#2 '&34=4#2 4: ()# 1(&' %$1:: &= ()# %#5(21$ (246&51$ 1(&' 153 ()#()2## =&$$&?456 45(#6#2 '&34=4#2: 12# ()# 1(&' %$1::#: &= ()# ()2## 1((1%)#3 1(&':A *)# 2#1$ 50';#2'&34=4#2 4: ()# =&2%# %&5:(15( =&2 ()# )12'&54% =05%(4&5 &= ()# &0(@&=@7$15# 34:(15%# &= ()# %#5(21$1(&'A *)# 3#=10$( 054(: =&2 ()# =&2%# %&5:(15( 12# 8%1$a'&$#amJC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()#VbY+W*^,+* 8#<?&23A JGI#8""&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# &0(@&=@7$15# 34:(15%# 7&(#5(41$#5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)#,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$#5#26< (#2': #>%#7( =&2 ()4: &5#A JGI#8"($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()# &0(@&=@7$15# 34:(15%# 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%# =4#$3 3#7#53#5( 153(<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)# 3#=10$( B1$0# &= GAS 4:0:#3C 4= ()# VbY+W*^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#A JZ&'<'#"& U10:#: *+,-./ 72&621':C :0%) 1: '454'4K1(4&5:C ()1( &0(70( 45(#2'#341(#%&&23451(# :#(: (& %2#1(# 1 :456$# 34:8 =4$# =&2 ()# 45(#2'#341(# 2#:0$(: ?)4%) 4: :0%%#::4B#$<&B#2?24((#5 ?4() ()# 5#? 45(#2'#341(# %&&23451(#: 1: ()#< ;#%&'# 1B14$1;$#A *)4: 8#<?&23 4:#::#5(41$$< ()# &77&:4(# &= ()# W\c.UkU_. 8#<?&23A GN'NO&"&'8 a9/B* 3;C*b b2&B43#: ()# 51'# &= ()# =&2%# =4#$3 7121'#(#2 =4$# (& ;# 0:#3 =&2 ()#%022#5( *+,-./ %1$%0$1(4&5A *)# :(153123 =4$# 51'# #>(#5:4&5 =&2 7121'#(#2 =4$#:C .prmC 4: 15&7(4&51$ 712( &= ()# =4$# 51'# '&34=4#2A *)# 3#=10$( 45 ()# 1;:#5%# &= ()# b\/\T.*./W 8#<?&23 4: (&

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50 "#$%&' ()*+,) -./0* 50

$&&8 =&2 1 7121'#(#2 =4$# ?4() ()# :1'# ;1:# 51'# 1: ()# '&$#%0$12 :<:(#' 153 #53456 45 ()# .prm#>(#5:4&5A += 1 B1$43 7121'#(#2 =4$# 4: 5&( =&053C ()# 0:#2 ?4$$ 1:8#3 (& 72&B43# 1 =4$# 51'#45(#21%(4B#$<A G#N"JO a1 /34*X*+ M L +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 ()# 74:<:(#' TV 7&(#5(41$7121'#(#2: =&2 1 :456$# 1(&' %$1:: ;#$&56456 (& 1 74:<:(#'A G#VJ$I aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 ()# 74:<:(#' TV 7&(#5(41$7121'#(#2: =&2 1 :456$# (<7# &= 74:<:(#' ;&53A G#VJ$IW aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 ()# 74:<:(#' TV 7&(#5(41$7121'#(#2: =&2 1 :456$# (<7# &= 74:<:(#' ;&53 %&5(145#3 45 1 M@'#';#2#3 2456A G#VJ$I[ aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 ()# 74:<:(#' TV 7&(#5(41$7121'#(#2: =&2 1 :456$# (<7# &= 74:<:(#' ;&53 %&5(145#3 45 1 N@'#';#2#3 2456A G#8R8"&O a/34*X*+ B/)4b *)4: 8#<?&23 :#(: ()# 1(&': ?4()45 1 '&$#%0$# ()1( 12# 712( &= 1%&5D061(#3 #@:<:(#'A *)# 8#<?&23 4: =&$$&?#3 &5 ()# :1'# $45# ;< 1 $4:( &= 1(&' 50';#2: 153a&21(&' 2156#: ()1( %&5:(4(0(# ()# #@:<:(#'A *)# \$$456#2 TT =&2%# =4#$3: 0:# ()4: 45=&2'1(4&5 (& :#( 0715 TV %1$%0$1(4&5 0:#3 (& :%1$# ;&53 153 (&2:4&5 7121'#(#2: 45B&$B456 #@:<:(#' 1(&':A G#"J'8 aD /34*X*+) M 1 +*;Bb *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# 74@&2;4(1$ (&2:4&51$156$# 7&(#5(41$ 7121'#(#2A *)# (?& 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: =&2 ()# 1(&':45B&$B#3 45 ()# %#5(21$ ;&53 &= ()# (&2:4&51$ 156$# (& ;# 7121'#(#24K#3A *)# 2#1$ '&34=4#2 64B#: ()#B1$0# &= ()# J@=&$3 ]&024#2 1'7$4(03# =&2 ()# (&2:4&51$ 156$# ;#(?##5 7@&2;4(1$: %#5(#2#3 &5 ()#3#=45#3 ;&53 1(&' %$1::#:A *)# 3#=10$( 054(: =&2 ()# :(2#(%)@(&2:4&5 =&2%# %&5:(15( %15 ;# %&5(2&$$#3B41 ()# b+*V/W^,+* 8#<?&23A G#"J'8"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# 74@&2;4(1$ (&2:4&51$ 156$# 7&(#5(41$#5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)#,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$#5#26< (#2': #>%#7( =&2 ()4: &5#A G#"J'8($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()# 74@&2;4(1$ (&2:4&51$ 156$# 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%# =4#$3 3#7#53#5(153 (<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)# 3#=10$( B1$0# &= GAS4: 0:#3C 4= ()# b+*V/W^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#A GO&`-'#I aL /34*X*+)b *)4: 8#<?&23 :#(: ()# 34'#5:4&5: &= ()# %)126# 6243 0:#3 302456 712(4%$#'#:) .?1$3 :0''1(4&5A *)# ()2## '&34=4#2: 64B# ()# :4K# 1$&56 ()# `@C k@ 153 j@1>#:C 2#:7#%(4B#$<A +=#4()#2 ()# k@ &2 j@1>4: 34'#5:4&5: 12# &'4((#3C ()#5 ()#< 12# :#( #I01$ (& ()# `@1>4: 34'#5:4&5A *)#3#=10$( 45 ()# 1;:#5%# &= ()# bT.@e/+Y 8#<?&23 4: (& :#( ()# 6243 :4K# 1$&56 #1%) 1>4: (& ()# :'1$$#:(7&?#2 &= JC L 153a&2 N ?)4%) 4: 1( $#1:( 1: $126# 1: GAN (4'#: ()# 1>4: $#56() 45 \56:(&':A ,&(# ()1(()# ]]* 0:#3 ;< bT. 4: 5&( 2#:(24%(#3 (&C ;0( 4: '&:( #==4%4#5( =&2C 6243 :4K#: ?)4%) 12# 7&?#2: &= JC L153a&2 NA GO&`J'I&' a/34*X*+b *)4: 8#<?&23 :#(: ()# &23#2 &= ()# d@:7$45# 45(#27&$1(4&5 0:#3 302456712(4%$# '#:) .?1$3 :0''1(4&5A \ 3#=10$( B1$0# &= Q 4: 0:#3 45 ()# 1;:#5%# &= ()# bT.@V/Y./8#<?&23A

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51 "#$%&' ()*+,) -./0* 51

GJPN'`1D`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&7&$124K1(4&5 45(#21%(4&5: ;#(?##5 G@J 7&$124K1(4&5 62&07:C &$!$C 7142: &= 1(&': ()1( 12# 45 342#%($<%&55#%(#3 7&$124K1(4&5 62&07:A *)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# bV_\/@GJ@WU\_. 8#<?&23 4:5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A GJPN'`1L`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&7&$124K1(4&5 45(#21%(4&5: ;#(?##5 G@L 7&$124K1(4&5 62&07:C &$!$C 7142: &= 1(&': ()1( 12# 45 7&$124K1(4&562&07: :#7121(#3 ;< &5# &()#2 62&07A *)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# bV_\/@GL@WU\_.8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A GJPN'`1W`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&7&$124K1(4&5 45(#21%(4&5: ;#(?##5 G@M 7&$124K1(4&5 62&07:C &$!$C 7142: &= 1(&': ()1( 12# 45 7&$124K1(4&562&07: :#7121(#3 ;< (?& &()#2 62&07:A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# bV_\/@GM@WU\_.8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A GJPN'`1[`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (&7&$124K1(4&5 45(#21%(4&5: ;#(?##5 G@N 7&$124K1(4&5 62&07:C &$!$C 7142: &= 1(&': ()1( 12# 45 7&$124K1(4&562&07: :#7121(#3 ;< ()2## &()#2 62&07:A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# bV_\/@GN@WU\_.8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A GJPN'`INOG aD +*;B)b U&5(2&$: ()# :(2#56() &= ()# 31'7456 =05%(4&5 177$4#3 (& 4530%#3 347&$#:153 347&$# 7&$124K1(4&5 45(#21%(4&5 #5#264#:A *)# =42:( '&34=4#2 :#(: ()# 21340: 45 \56:(&': &= 1)<7&()#(4%1$ 1(&' ?4() 054( 7&$124K1;4$4(<C ?)4$# ()# :#%&53 '&34=4#2 :#(: ()# :%1$# =1%(&2 =&2 ()##>7&5#5( &= ()# 31'7456 =05%(4&5A *)# 3#=10$( B1$0#: =&2 ()# 21340: 153 ()# :%1$# =1%(&2 12# GAOOJ153 GASC 2#:7#%(4B#$<A Y1'7456 4: #$4'451(#3 #5(42#$< ;< 0:456 ()4: 8#<?&23 (& :#( ()# 21340: B1$0# (&K#2&A GJPN'`&G8 a+*;Bb *)4: 8#<?&23 :#(: ()# %&5B#26#5%# %24(#24&5 177$4#3 302456 %&'70(1(4&5 &=:#$=@%&5:4:(#5( 4530%#3 347&$#:A *)# %1$%0$1(4&5 4: 3##'#3 (& )1B# %&5B#26#3 ?)#5 ()# *+, %)156#F45 Y#;<#:H &= ()# 4530%#3 347&$#: 1( 1$$ 7&$124K1;$# :4(#: 4: $#:: ()15 ()# B1$0# :7#%4=4#3 ?4() ()4:8#<?&23A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# 8#<?&23 4: GS@O Y#;<#:A GJPN'`8J' a+*;Bb W#(: 1 :0%%#::4B# &B#22#$1>1(4&5 FWV/H =1%(&2 =&2 0:# 45 %&'70(1(4&5 &= 4530%#31(&'4% 347&$#:A V7(4'1$ B1$0#: =&2 ()4: 8#<?&23 ?4$$ :7##3 ()# 4530%#3 347&$# %1$%0$1(4&5C 153 7&&2B1$0#: %15 2#:0$( 45 %&5B#26#5%# =14$02#A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# bV_\/@WV/ 8#<?&234: SAP ?)4%) &=(#5 1 2#1:&51;$# B1$0# ?)#5 :)&2(@2156# 45(21'&$#%0$12 7&$124K1(4&5 4: 72#:#5(A ]&2'&3#$: $1%8456 45(21'&$#%0$12 7&$124K1(4&5C 8#<?&23 B1$0#: %$&:#2 (& GAS '1< ;# &7(4'1$A GJPN'#SN"#J$ aI#'&?"cO("(NPb W#$#%(: ;#(?##5 ()# 0:# &= 342#%( 153 '0(01$ 347&$#7&$124K1(4&5 =&2 =&2%# =4#$3: ()1( 45%&27&21(# ()# 7&$124K1(4&5 (#2'A *)# Y+/.U* '&34=4#2 1B&43: 154(#21(4B# %1$%0$1(4&5 ;< 0:456 &5$< ()# 7#2'15#5( #$#%(24% =4#$3 45 %&'70(1(4&5 &= 4530%#3 347&$#:A*)# T^*^\_ &7(4&5C ?)4%) 4: ()# 3#=10$( 45 ()# 1;:#5%# &= ()# bV_\/+j\*+V, 8#<?&23C 4(#21(#: ()#4530%#3 347&$#: (& :#$=@%&5:4:(#5%<A GJPN'#S& a1 /34*X*+U 1 +*;B M .@ 45 W /34*X*+)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$#1(&'4% 347&$# 7&$124K1;4$4(< 7121'#(#2A *)# 45(#6#2 '&34=4#2C 4= 7&:4(4B#C 64B#: ()# 1(&' (<7# 50';#2=&2 ?)4%) 1 7&$124K1;4$4(< 7121'#(#2 4: (& ;# 3#=45#3A += ()# =42:( 45(#6#2 '&34=4#2 4: 5#61(4B#C ()#5 ()#7121'#(#2 B1$0# (& =&$$&? 177$4#: &5$< (& ()# 4534B4301$ 1(&' ?)&:# 1(&' 50';#2 4: ()# 5#61(4B# &=()# '&34=4#2A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# 347&$# 7&$124K1;4$4(< 45 mLA *)# =451$45(#6#2 '&34=4#2: $4:( ()# 1(&' (<7# 50';#2: &= 1(&': 342#%($< ;&53#3 (& ()# %022#5( 1(&' 153 ?)4%)?4$$ ;# %&5:43#2#3 (& ;# 712( &= ()# %022#5( 1(&'[: 7&$124K1(4&5 62&07A

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52 "#$%&' ()*+,) -./0* 52

GJPN'#S&"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# 1(&'4% 347&$# 7&$124K1(4&57&(#5(41$ #5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A GJPRO&'`?("J>> a+*;Bb W#(: ()# B1$0# &= 15 1334(4&51$ %0(&== 7121'#(#2 5##3#3 =&2 45=454(#7&$<'#2 :<:(#':A *)4: B1$0# '0:( ;# :#( (& $#:: ()15 )1$= ()# '454'1$ 7#24&34% ;&> 34'#5:4&5 153:)&0$3 ;# 62#1(#2 ()15 ()# $126#:( 7&::4;$# 45(#21(&'4% 34:(15%# ()1( %15 ;# :0;D#%( (& :%1$456 &2#>%$0:4&5 1: 1 $&%1$ #$#%(2&:(1(4% &2 B15 3#2 "11$: 45(#21%(4&5A *)# 3#=10$( 45 ()# 1;:#5%# &= ()#bV_kT./@U^*V]] 8#<?&23 4: NAN \56:(2&':A G'#$"J(" a/34*X*+b \ 6#5#21$ 7121'#(#2 =&2 4(#21(4B# 72&%#302#: :0%) 1: '454'4K1(4&5: ()1( :#(:()# 50';#2 &= 4(#21(4&5: ;#(?##5 ?24(#: &= :(1(0: 45=&2'1(4&5 (& ()# :(153123 &0(70(A *)# 3#=10$(B1$0# 45 ()# 1;:#5%# &= ()# 8#<?&23 4: GC &$!$C ()# %1$%0$1(4&5 :(1(0: 4: 64B#5 #B#2< 4(#21(4&5A 'NI#(8'(P& aN'#"YO&"#?c-&JO&"'#?c?(V#?`O&N$b W#(: ()# =05%(4&51$ =&2' &= ()# 21340:%&';45456 20$# =&2 )#(#2&1(&'4% B15 3#2 "11$: 7&(#5(41$ #5#26< 45(#21%(4&5:A *)# 3#=10$( 45 ()#1;:#5%# &= ()# /\Y+^W/^_. 8#<?&23 4: (& 0:# ()# 124()'#(4% '#15 %&';45456 20$# (& 6#( 21344 =&2)#(#2&1(&'4% 45(#21%(4&5:A 'NI#(88#S& a'NI#(8cI#NO&"&'b Y#(#2'45#: ?)#()#2 ()# 1(&' :4K# B1$0#: 64B#5 45 B15 3#2"11$: 7121'#(#2: 2#13 =2&' cY" 8#<?&23 :(1(#'#5(: 12# 45(#272#(#3 1: 1(&'4% 21340: &2 341'#(#2B1$0#:A *)# 3#=10$( 45 ()# 1;:#5%# &= ()# /\Y+^WW+j. 8#<?&23 4: (& 1::0'# ()1( B3? :4K# 7121'#(#2:12# 64B#5 1: 21340: B1$0#:A 'NI#(8"RG& a'`O#$c8#-ONb Y#(#2'45#: ?)#()#2 1(&' :4K# B1$0#: 64B#5 45 B15 3#2 "11$:7121'#(#2: 2#13 =2&' cY" 8#<?&23 :(1(#'#5(: 12# 45(#272#(#3 1: 7&(#5(41$ '454'0' F/'45H &2 _g@:(<$# :46'1 F)H B1$0#:A *)# 3#=10$( 45 ()# 1;:#5%# &= ()# /\Y+^W*kb. 8#<?&23 4: (& 1::0'# ()1( B3?:4K# 7121'#(#2: 12# 64B#5 1: /'45 B1$0#:A 'N$IJO8&&I a/34*X*+b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aVJ$I8cN$-P&8cI#N"JO#?c"'#N"JO#?c<N"&'b +5B&8#: ()# 21(($# 1$6&24()'C 1B#$&%4(< B#2:4&5 &= :)18#C &5 7&2(4&5: &= 1 '&$#%0$12 :<:(#' 302456 1 '&$#%0$12 3<51'4% %1$%0$1(4&5A*)# /\**_. 8#<?&23 %15 ;# =&$$&?#3 ;< 15< &= ()# '&34=4#2: :)&?5C 45 ?)4%) %1:# 1$$ &%%022#5%#:&= ()# '&34=4#2 :7#%4#: 12# %&5:(2145#3 1( 43#1$ B1$0#: (18#5 =2&' ()# ;&53 153 156$# 7121'#(#2: &=()# =&2%# =4#$3 45 0:#A +5 ()# 1;:#5%# &= 15< '&34=4#2C /\**_. %&5:(2145: 1$$ ;&53: (& )<32&6#5 1(&':1( 43#1$ ;&53 $#56():A 'N""P&`I#8"N$?& aD /34*X*+)b *)4: 8#<?&23 1$$&?: ()# 0:# &= 1 ZZ/1(($#[[ %&5:(2145( ;#(?##5()# (?& 1(&': ?)&:# 50';#2: 12# :7#%4=4#3 &5 ()# 8#<?&23 $45#A += ()# (?& 1(&': 12# 45B&$B#3 45 1%&B1$#5( ;&53C ()#5 ()#42 34:(15%# 4: %&5:(2145#3 (& ()# 43#1$ ;&53 $#56() =2&' ()# =&2%# =4#$3A ]&25&5;&53#3 1(&':C ()# 21(($# %&5:(2145( 4: =4>#3 1( ()#42 34:(15%# 45 ()# 4570( %&&23451(# =4$#A 'N""P&`P#$& a/34*X*+b *)4: 8#<?&23

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53 "#$%&' ()*+,) -./0* 53

'N""P&`J'#-#$ a/34*X*+b *)4: 8#<?&23 'N""P&`GPN$& a/34*X*+b *)4: 8#<?&23 '&N?"#J$>#&PI aD +*;B) M 1 /34*X*+b *)4: 8#<?&23 72&B43#: 7121'#(#2: 5##3#3 =&2 ()#2#1%(4&5 =4#$3 7&(#5(41$ #5#26< %1$%0$1(4&5A *)# (?& 2#1$ '&34=4#2: 64B# ()# 21340: &= ()# 34#$#%(24%%1B4(< 153 ()# 21(4& &= ()# ;0$8 34#$#%(24% &0(:43# ()# %1B4(< (& ()1( 45:43# ()# %1B4(<A *)# 45(#6#2'&34=4#2 64B#: ()# 50';#2 &= (#2': 45 ()# 2#1%(4&5 =4#$3 :0''1(4&5 (& ;# 0:#3A +5 ()# 1;:#5%# &= ()#/.\U*+V,]+._Y 8#<?&23C ()# 3#=10$( B1$0#: 12# 1 %1B4(< &= 21340: GSSSSSS mC 1 34#$#%(24% 21(4& &= QS153 0:# &= &5$< ()# =42:( (#2' &= ()# 2#1%(4&5 =4#$3 :0''1(4&5A '&I(?& a+*;Bb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`N$-P& aL /34*X*+) M L +*;B)b *)4: 8#<?&23 4'7$#'#5(: 1 =$1(@?#$$#3 )12'&54%7&(#5(41$ ()1( %15 ;# 0:#3 (& 2#:(2145 ()# 156$# ;#(?##5 ()2## 1(&': (& $4# ?4()45 1 :7#%4=4#3 156$#2156#A *)# 45(#6#2 '&34=4#2: %&5(145 ()# 1(&' 50';#2: &= ()# ()2## 1(&': ?)&:# 156$# 4: (& ;#2#:(2145#3A *)# =42:( 2#1$ '&34=4#2 4: ()# =&2%# %&5:(15( 45 8%1$a3#62##J =&2 ()# 2#:(2145(A *)# $1:( (?&2#1$ '&34=4#2: 64B# ()# $&?#2 153 077#2 ;&053: 45 3#62##: &5 ()# 1$$&?#3 156$# B1$0#:A += ()# 156$#$4#: ;#(?##5 ()# $&?#2 153 077#2 ;&053:C ()# 2#:(2145( 7&(#5(41$ 4: K#2&A V0(:43# ()# ;&053:C ()#)12'&54% 2#:(2145( 4: 177$4#3A += ()# 156$# 2156# '&34=4#2: 12# &'4((#3C ()#5 ()# 1(&': 12# 2#:(2145#3(& ()# 156$# =&053 45 ()# 4570( :(20%(02#A += ()# =&2%# %&5:(15( 4: 1$:& &'4((#3C 1 3#=10$( B1$0# &= GSAS 4:0:#3A '&8"'N#$`I#8"N$?& aD /34*X*+) M L +*;B)b *)4: 8#<?&23 4'7$#'#5(: 1 =$1(@?#$$#3 )12'&54%7&(#5(41$ ()1( %15 ;# 0:#3 (& 2#:(2145 (?& 1(&': (& $4# ?4()45 1 :7#%4=4#3 34:(15%# 2156#A *)# 45(#6#2'&34=4#2: %&5(145 ()# 1(&' 50';#2: &= ()# (?& 1(&': (& ;# 2#:(2145#3A *)# =42:( 2#1$ '&34=4#2:7#%4=4#: ()# =&2%# %&5:(15( 45 8%1$amJ =&2 ()# 2#:(2145(A *)# 5#>( (?& 2#1$ '&34=4#2: 64B# ()# $&?#2153 077#2 ;&053: 45 m56:(2&': &5 ()# 1$$&?#3 34:(15%# 2156#A += ()# 45(#21(&'4% 34:(15%# $4#:;#(?##5 ()#:# $&?#2 153 077#2 ;&053:C ()# 2#:(2145( 7&(#5(41$ 4: K#2&A V0(:43# ()# ;&053:C ()#)12'&54% 2#:(2145( 4: 177$4#3A += ()# 34:(15%# 2156# '&34=4#2: 12# &'4((#3C ()#5 ()# 1(&': 12#2#:(2145#3 (& ()# 45(#21(&'4% 34:(15%# =&053 45 ()# 4570( :(20%(02#A += ()# =&2%# %&5:(15( 4: 1$:&&'4((#3C 1 3#=10$( B1$0# &= GSSAS 4: 0:#3A '&8"'N#$`-'J(G8 aD /34*X*+) M L +*;B)b *)4: 8#<?&23 4'7$#'#5(: 1 =$1(@?#$$#3 )12'&54%34:(15%# 2#:(2145( ;#(?##5 ()# %#5(#2:@&=@'1:: &= (?& 62&07: &= 1(&':A *)# 45(#6#2 '&34=4#2: 12# ()#50';#2: &= ()# (?& 62&07: ?)4%) '0:( ;# 3#=45#3 :#7121(#$< B41 ()# e/V^b 8#<?&23A *)# =42:( 2#1$'&34=4#2 4: ()# =&2%# %&5:(15( 45 8%1$amJ =&2 ()# 2#:(2145(A *)# $1:( (?& 2#1$ '&34=4#2: 64B# ()# $&?#2153 077#2 ;&053: 45 m56:(2&': &5 ()# 1$$&?#3 45(#262&07 %#5(#2@&=@'1:: 34:(15%# B1$0#:A += ()#34:(15%# 2156# '&34=4#2: 12# &'4((#3C ()#5 ()# 62&07: 12# 2#:(2145#3 (& ()# 34:(15%# =&053 45 ()#4570( :(20%(02#A += ()# =&2%# %&5:(15( 4: 1$:& &'4((#3C 1 3#=10$( B1$0# &= GSSAS 4: 0:#3A '&8"'N#$`GJ8#"#J$ a1 /34*X*+ M [ +*;B)b *)4: 8#<?&23 72&B43#: ()# 1;4$4(< (& 2#:(2145 154534B4301$ 1(&' (& 1 :7#%4=4#3 %&&23451(# 7&:4(4&5A *)# 454(41$ 45(#6#2 '&34=4#2 %&5(145: ()# 1(&'50';#2 &= ()# 1(&' (& ;# 2#:(2145#3A *)# =42:( 2#1$ '&34=4#2 :#(: ()# =&2%# %&5:(15( 45 8%1$amJ =&2 ()#)12'&54% 2#:(2145( 7&(#5(41$A *)# 5#>( ()2## 2#1$ 50';#2 '&34=4#2: 64B# ()# `@C k@ 153 j@%&&23451(#:

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54 "#$%&' ()*+,) -./0* 54

(& ?)4%) ()# 1(&' 4: (#()#2#3A *)# =451$ 2#1$ '&34=4#2 3#=45#: 1 :7)#2# 12&053 ()# :7#%4=4#3%&&23451(#: ?4()45 ?)4%) ()# 2#:(2145( B1$0# 4: K#2&A += ()# #>%$0:4&5 :7)#2# 21340: 4: &'4((#3C 4( 4:(18#5 (& ;# K#2&A += ()# %&&23451(#: 12# &'4((#3C ()#5 ()# 1(&' 4: 2#:(2145#3 (& ()# &24645A += ()# =&2%#%&5:(15( 4: 1$:& &'4((#3C 1 3#=10$( B1$0# &= GSSAS 4: 0:#3A '&8"'N#$`"J'8#J$ aW /34*X*+) M L +*;B)b *)4: 8#<?&23 4'7$#'#5(: 1 =$1(@?#$$#3 )12'&54%7&(#5(41$ ()1( %15 ;# 0:#3 (& 2#:(2145 ()# (&2:4&51$ 156$# ;#(?##5 =&02 1(&': (& $4# ?4()45 1 :7#%4=4#3156$# 2156#A *)# 454(41$ 45(#6#2 '&34=4#2: %&5(145: ()# 1(&' 50';#2: &= ()# =&02 1(&': ?)&:#(&2:4&51$ 156$#C %&'70(#3 45 ()# 1(&' &23#2 $4:(#3C 4: (& ;# 2#:(2145#3A *)# =42:( 2#1$ '&34=4#2 64B#: 1=&2%# %&5:(15( 45 8%1$a3#62##J =&2 ()# 2#:(2145(A *)# $1:( (?& 2#1$ '&34=4#2: 64B# ()# $&?#2 153 077#2;&053: 45 3#62##: &5 ()# 1$$&?#3 (&2:4&51$ 156$# B1$0#:A *)# 156$# B1$0#: 64B#5 %15 ?217 12&0531%2&:: @GQS 153 fGQS 3#62##:A V0(:43# ()# 1$$&?#3 156$# 2156#C ()# )12'&54% 2#:(2145( 4: 177$4#3A +=()# 156$# 2156# '&34=4#2: 12# &'4((#3C ()#5 ()# 1(&': 12# 2#:(2145#3 (& ()# (&2:4&51$ 156$# =&053 45()# 4570( :(20%(02#A += ()# =&2%# %&5:(15( 4: 1$:& &'4((#3C 1 3#=10$( B1$0# &= GAS 4: 0:#3A '&8"'N#$"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# 2#:(2145( 7&(#5(41$ #5#26<(#2':A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#:# 7&(#5(41$:A *)# ,V,.&7(4&5 (025: &== 0:# &= ()#:# 7&(#5(41$ #5#26< (#2':A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26<(#2': #>%#7( =&2 ()#:# (#2':A 'Q$>#&PI"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# 2#1%(4&5 =4#$3 %&5(4500':&$B1(4&5 7&(#5(41$ #5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &=()# 7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &==1$$ 7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A 8NIIP&GJ#$" *)# 72#:#5%# &= ()4: 8#<?&23 1$$&?: ,#?(&5@:(<$# :#%&53 3#24B1(4B#@;1:#3&7(4'4K1(4&5 2&0(45# 0:#3 ;< ,."*V,C ,."*/V* 153 &()#2 72&621': (& %&5B#26# (& :133$#7&45(:1: ?#$$ 1: '454'1 &5 ()# 7&(#5(41$ :02=1%#A d< 3#=10$(C 45 ()# 1;:#5%# &= ()# W\YY_.bV+,* 8#<?&23C%)#%8: 12# 177$4#3 ()1( 72#B#5( %&5B#26#5%# (& :(1(4&512< 7&45(: )1B456 342#%(4&5: &= 5#61(4B#%02B1(02#A 8NZ&`?R?P& *)4: 8#<?&23 %10:#: *+,-./ 72&621':C :0%) 1: '454'4K1(4&5:C ()1( &0(70(45(#2'#341(# %&&23451(# :#(: (& :1B# #1%) :0%%#::4B# :#( (& ()# 5#>( %&5:#%0(4B#$< 50';#2#3 %<%$#=4$#A *)# W\c.@UkU_. 8#<?&23 4: ()# &77&:4(# &= ()# Vc./"/+*. 8#<?&23A 8NZ&`>J'?& *)4: 8#<?&23 %10:#: *+,-./ '&$#%0$12 3<51'4%: %1$%0$1(4&5: (& :1B# ()# B1$0#: &=()# =&2%# %&'7&5#5(: &5 #1%) 1(&' (& 1 :#7121(# %<%$# =4$#A *)#:# =4$#: 12# ?24((#5 ?)#5#B#2 ()#1(&'4% %&&23451(# :517:)&(: 12# ?24((#5 302456 ()# 3<51'4%: 205A .1%) 1(&'4% =&2%# =4$# 51'#%&5(145: 1: 1 :0==4> ()# %<%$# 50';#2 =&$$&?#3 ;< ()# $#((#2 fA 8NZ&`#$I(?&I *)4: 8#<?&23 %10:#: *+,-./ '&$#%0$12 3<51'4%: %1$%0$1(4&5: ()1( 45B&$B#7&$124K1;$# 1(&'4% '0$(47&$#: (& :1B# ()# B1$0#: &= ()# 4530%#3 347&$# %&'7&5#5(: &5 #1%)7&$124K1;$# 1(&' (& 1 :#7121(# %<%$# =4$#A *)#:# =4$#: 12# ?24((#5 ?)#5#B#2 ()# 1(&'4% %&&23451(#:517:)&(: 12# ?24((#5 302456 ()# 3<51'4%: 205A .1%) 4530%#3 347&$# =4$# 51'# %&5(145: 1: 1 :0==4> ()#%<%$# 50';#2 =&$$&?#3 ;< ()# $#((#2 uA 8NZ&`Z&PJ?#"R *)4: 8#<?&23 %10:#: *+,-./ '&$#%0$12 3<51'4%: %1$%0$1(4&5: (& :1B# ()# B1$0#:&= ()# B#$&%4(< %&'7&5#5(: &5 #1%) 1(&' (& 1 :#7121(# %<%$# =4$#A *)#:# =4$#: 12# ?24((#5 ?)#5#B#2 ()#1(&'4% %&&23451(# :517:)&(: 12# ?24((#5 302456 ()# 3<51'4%: 205A .1%) B#$&%4(< =4$# 51'# %&5(145:1: 1 :0==4> ()# %<%$# 50';#2 =&$$&?#3 ;< ()# $#((#2 vA

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55 "#$%&' ()*+,) -./0* 55

8PJG&ONQ a+*;Bb *)4: 8#<?&23 153 4(: '&34=<456 B1$0# :#( ()# '1>4'0' 1$$&?#3 :4K# &= ()# 21(4&;#(?##5 ()# %022#5( 153 454(41$ 72&D#%(#3 62134#5(: 302456 ()# $45# :#12%) 7)1:# &= %&5D061(#62134#5( &2 (205%1(#3 ,#?(&5 &7(4'4K1(4&5:A += ()4: 21(4& #>%##3: W_Vb.T\`C ()#5 ()# 454(41$ :(#7:4K# 4: 2#30%#3 ;< 1 =1%(&2 &= GSA *)# 3#=10$( B1$0# 4: 0:01$$< :#( (& GSSSSAS ?)#5 5&( :7#%4=4#3 B41 ()#W_Vb.T\` 8#<?&23A 8OJJ"Y#$- aI&Oc-INc"JGYN"c8"JGYN"b *)4: 8#<?&23 1%(4B1(#: ()# 7&(#5(41$ #5#26<:'&&()456 '#()&3:A W#B#21$ B1241(4&5: 12# 1B14$1;$# 3#7#53456 &5 ()# B1$0# &= ()# '&34=4#2 0:#3EY.To Y4==0:4&5 .I01(4&5 T#()&3 ?4() 1 :(153123 e10::415 8#25#$l eY\o e10::415 Y#5:4(<\55#1$456 1: 72&7&:#3 ;< ()# W(210; 62&07l *VbX\*o 1 $&%1$ Y.T@$48# '#()&3 0:456 1 =454(# 2156#ZZ(&7)1([[ 8#25#$l W*VbX\*o :)4=(#3 (&7)1( :'&&()456A 8JPZN"& aN8Gc8N8NcJ$#J$c8"#PPcY?"cN?&c-V8Nb ^:# &= ()4: 8#<?&23 302456 #5#26<%1$%0$1(4&5: ?4() 15< &= ()# :(153123 =&2%# =4#$3: (025: &5 1 %&5(4500' :&$B1(4&5 =2## #5#26< (#2'AW#B#21$ 1$6&24()': 12# 1B14$1;$# ;1:#3 &5 ()# '&34=4#2 0:#3E \Wbo .4:#5;#26@T%_1%)$15 \Wb '#()&30:456 ()# "#::&[email protected]:#5;#26 B1%00'@(&@?1(#2 7121'#(#2:l W\W\o ()# V&4@W%)#2161 W\W\ '#()&3lV,+V,o ()# &246451$ GRRS W(4$$ ZZV54&5@:)#$$[[ edaW\ '#()&3l W*+__o ()# GRRP 151$<(4%1$ edaW\'#()&3 =2&' W(4$$[: 62&07l XU*o ()# 7142?4:# 3#:%2##5456 '#()&3 &= X1?845:C U21'#2 153 *20)$12l\U.o ()# \51$<(4%1$ U&5(4500' .$#%(2&:(1(4%: :&$B1(4&5 '#()&3 =2&' ()# -127$0: 62&07l edW\o#I04B1$#5( (& ()# W*+__ '&34=4#2A \( 72#:#5(C edaW\@:(<$# '#()&3: 12# &5$< B1$43 =&2 =&2%# =4#$3: ()1(0:# :4'7$# 712(41$ %)126# #$#%(2&:(1(4%:A 8JPZN"&"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# '1%2&:%&74% :&$B1(4&5 7&(#5(41$#5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)#,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$#5#26< (#2': #>%#7( =&2 ()4: &5#A 8GN?&-'J(G a3;C*b *)4: 8#<?&23 :#$#%(: ()# :71%# 62&07 (& ;# 0:#3 45 '15470$1(4&5 &= %2<:(1$054( %#$$: 153 1:<''#(24% 054(:A *)# 51'# &7(4&5 '0:( ;# %)&:#5 =2&' &5# &= ()# =&$$&?456 %022#5($<4'7$#'#5(#3 :71%# 62&07:E bGC bGF@HC bJGC U%C bJGa1C bJGa5C bJGa%C UJa%C bJGJGJGC b51JGC b5JG1CU'%JGC b%%5C b;%5C b;%1C bMGC +MGa1C bMF@HJG%C bMF@H'JC /L%C bOFLHa'%'C ]'LF@H'C +'LF@H'A 8GY&'& aW +*;B)U 5+ 1 /34*X*+ M 1 +*;Bb *)4: 8#<?&23 72&B43#: 15 1$(#251(4B# (& ()# \U*+c. 153+,\U*+c. 8#<?&23: =&2 :7#%4=4%1(4&5 &= :0;:#(: &= 1%(4B# 1(&':A += =&02 2#1$ 50';#2 '&34=4#2: 12#72&B43#3C ()# =42:( ()2## 12# (18#5 1: `@C k@ 153 j@%&&23451(#: 153 ()# =&02() 4: ()# 21340: &= 1 :7)#2#%#5(#2#3 1( ()#:# %&&23451(#:A +5 ()4: %1:#C 1$$ 1(&': ?4()45 ()# :7)#2# 1( ()# ,"(*" &= ()# %1$%0$1(4&512# 1%(4B# "8*45/845" ()# %1$%0$1(4&5C ?)4$# 1$$ &()#2 1(&': 12# 451%(4B#A W4'4$12$< 4= &5# 45(#6#2 1532#1$ 50';#2 12# 64B#5C 15 ZZ1%(4B#[[ :7)#2# ?4() 21340: :#( ;< ()# 2#1$ 4: %#5(#2#3 &5 ()# :<:(#' 1(&'?4() 1(&' 50';#2 64B#5 ;< ()# 45(#6#2 '&34=4#2A T0$(47$# WbX./. 8#<?&23 $45#: %15 ;# 72#:#5( 45 1:456$# 8#<=4$#C 153 ()# $4:( &= 1%(4B# 1(&': :7#%4=4#3 ;< ()# :7)#2#: 4: %0'0$1(4B#A 8"&&G&8"`I&8?&$" *)4: 8#<?&23 =&2%#: ()# _@d]eW &7(4'4K1(4&5 2&0(45# 0:#3 ;< ()# T+,+T+j.72&621' 153 &()#2 72&621': (& 7#2=&2' :(##7#:( 3#:%#5( '454'4K1(4&5A *)4: &7(4&5 %15 ;# 0:#=0$ 45%&5D05%(4&5 ?4() :'1$$ :(#7 :4K#: =&2 =&$$&?456 '454'0' #5#26< 71():C ;0( 4: 6#5#21$$< 45=#24&2 (& ()#_@d]eW 3#=10$( =&2 '&:( &7(4'4K1(4&5 7027&:#:A 8"&GONQ a+*;Bb *)4: 8#<?&23 153 4(: '&34=<456 B1$0# :#( ()# '1>4'0' :4K# &= 15 4534B4301$ :(#7302456 ()# $45# :#12%) 7)1:# &= %&5D061(# 62134#5( &2 (205%1(#3 ,#?(&5 &7(4'4K1(4&5:A *)# :(#7 :4K#4: %&'70(#3 1: ()# 5&2' &= ()# B#%(&2 &= %)156#: 45 7121'#(#2: ;#456 &7(4'4K#3A *)# 3#=10$( B1$0#3#7#53: &5 ()# 712(4%0$12 *+,-./ 72&621'C ;0( 4: 0:01$$< 45 ()# 2156# =2&' GAS (& NAS ?)#5 5&(:7#%4=4#3 B41 ()# W*.bT\` 8#<?&23A

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56 "#$%&' ()*+,) -./0* 56

8"&GO#$ a+*;Bb *)4: 8#<?&23 153 4(: '&34=<456 B1$0# :#( ()# '454'0' :4K# &= 15 4534B4301$ :(#7302456 ()# $45# :#12%) 7)1:# &= %&5D061(# 62134#5( &2 (205%1(#3 ,#?(&5 &7(4'4K1(4&5:A *)# :(#7 :4K#4: %&'70(#3 1: ()# 5&2' &= ()# B#%(&2 &= %)156#: 45 7121'#(#2: ;#456 &7(4'4K#3A *)# 3#=10$( B1$0# 4:0:01$$< :#( (& 1;&0( GS@GO ?)#5 5&( :7#%4=4#3 B41 ()# W*.bT+, 8#<?&23A 8"'V$I a1 /34*X*+ M L +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# :(2#(%)@;#53 %2&::(#2' 7&(#5(41$ 7121'#(#2A *)# 45(#6#2 '&34=4#2 64B#: ()# 1(&' %$1:: 50';#2 =&2 ()# %#5(21$ 1(&' &=()# ;&53 156$# 45B&$B#3 45 :(2#(%)@;#53 45(#21%(4&5:A *)# 2#1$ 50';#2 '&34=4#2: 64B# ()# =&2%#%&5:(15( B1$0#: (& ;# 0:#3 ?)#5 ()# %#5(21$ 1(&' &= ()# 156$# 4: 1((1%)#3 (& SC G &2 J 1334(4&51$)<32&6#5 1(&':C 2#:7#%(4B#$<A *)# 3#=10$( 054(: =&2 ()# :(2#(%)@;#53 =&2%# %&5:(15( 12# 8%1$a'&$#am@3#62##C ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# W*/d,Y^,+* 8#<?&23A 8"'V$I"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# ;&53 :(2#(%)456@156$# ;#53456%2&:: (#2' 7&(#5(41$ #5#26<A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A 8"'V$I($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()#;&53 :(2#(%)456@156$# ;#53456 %2&:: (#2' 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%#=4#$3 3#7#53#5( 153 (<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)#3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# W*/d,Y^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$#&2 ()# 8#<=4$#A 8"'"J'8 aD /34*X*+) M 1 +*;Bb *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# :(2#(%)@(&2:4&5%2&:: (#2' 7&(#5(41$ 7121'#(#2A *)# (?& 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: =&2 ()# 1(&':45B&$B#3 45 ()# %#5(21$ ;&53 &= ()# (&2:4&51$ 156$#: (& ;# 7121'#(#24K#3A *)# 2#1$ '&34=4#2 64B#: ()#B1$0# &= ()# :(2#(%)@(&2:4&5 =&2%# %&5:(15( =&2 1$$ (&2:4&51$ 156$#: ?4() ()# 3#=45#3 %#5(21$ ;&53 1(&'%$1::#:A *)# 3#=10$( 054(: =&2 ()# :(2#(%)@(&2:4&5 =&2%# %&5:(15( %15 ;# %&5(2&$$#3 B41 ()#W*/*V/^,+* 8#<?&23A 8"'"J'"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# ;&53 :(2#(%)456@(&2:4&51$ 156$#%2&:: (#2' 7&(#5(41$ #5#26<A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A 8"'"J'($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()#;&53 :(2#(%)456@(&2:4&51$ 156$# %2&:: (#2' 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4:=&2%# =4#$3 3#7#53#5( 153 (<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A*)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# W*/*V/^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2=4$# &2 ()# 8#<=4$#A "NG&' a+*;Bb *)4: 8#<?&23 1$$&?: '&34=4%1(4&5 &= ()# %0(&== ?453&?: =&2 5&5;&53#3 7&(#5(41$#5#26< 45(#21%(4&5:A *)# 5&5;&53#3 (#2': 12# :'&&()$< 2#30%#3 =2&' ()#42 :(153123 B1$0# 1( ()#;#6455456 &= ()# %0(&== ?453&? (& K#2& 1( ()# =12 #53 &= ()# ?453&?A *)# =12 #53 &= ()# ?453&? 4::7#%4=4#3 B41 ()# U^*V]] 8#<?&23 &2 4(: 7&(#5(41$ =05%(4&5 :7#%4=4% B12415(:A *)# '&34=4#2 B1$0#:077$4#3 ?4() ()# *\b./ 8#<?&23 :#(: ()# ;#6455456 &= ()# %0(&== ?453&?A *)# '&34=4#2 %15 ;# 64B#5#4()#2 1: 15 1;:&$0(# 34:(15%# B1$0# 45 \56:(2&':C &2 1: 1 =21%(4&5 ;#(?##5 K#2& 153 &5# &= ()#U^*V]] 34:(15%#A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# *\b./ 8#<?&23 2156#: =2&' SAON (& SAR &=()# U^*V]] 34:(15%# 3#7#53456 &5 ()# (<7# &= 7&(#5(41$ =05%(4&5A *)# ?453&?: 12# 4'7$#'#5(#3 B417&$<5&'41$@;1:#3 :?4(%)456 =05%(4&5:C 45 :&'# %1:#: %&';45#3 ?4() #5#26< :)4=(456A

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57 "#$%&' ()*+,) -./0* 57

"N(`G'&88('& a+*;Bb W#(: ()# %&07$456 (4'# 45 74%&:#%&53: =&2 ()# e2&5456#5@:(<$# 72#::02# ;1()%&07$456 0:#3 (& %&5(2&$ ()# :<:(#' 72#::02# 302456 '&$#%0$12 3<51'4%: %1$%0$1(4&5:A \ 3#=10$( B1$0#&= JAS 4: 0:#3 =&2 *\^@b/.WW^/. 45 ()# 1;:#5%# &= ()# 8#<?&23A "N(`"&OG&'N"('& a+*;Bb W#(: ()# %&07$456 (4'# 45 74%&:#%&53: =&2 ()# e2&5456#5@:(<$#(#'7#21(02# ;1() %&07$456 0:#3 (& %&5(2&$ ()# :<:(#' (#'7#21(02# 302456 '&$#%0$12 3<51'4%:%1$%0$1(4&5:A \ 3#=10$( B1$0# &= SAG 4: 0:#3 =&2 *\^@*.Tb./\*^/. 45 ()# 1;:#5%# &= ()# 8#<?&23A "Y&'OJ8"N" aV&'&$I8&$cN$I&'8&$b *)4: 8#<?&23 :#$#%(: 1 ()#2'&:(1( 1$6&24()' =&2 0:#302456 '&$#%0$12 3<51'4%:A *?& '&34=4#2: 12# 1B14$1;$#C 1 d#2#53:#5 ;1() %&07$456 '#()&3C 153 15\53#2:#5 :(&%)1:(4% %&$$4:4&5 '#()&3A *)# 3#=10$( 45 ()# 1;:#5%# &= ()# *X./TVW*\* 8#<?&23 4: (&0:# ()# d./.,YW., 1$6&24()'A "J'8#J$ aW /34*X*+) M .@ 45 ] +*;Bc+*;Bc/34*X*+ 4+/@B*)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&21 :456$# (&2:4&51$ 156$# 7121'#(#2A *)# =42:( =&02 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: =&2()# 1(&': 45B&$B#3 45 ()# (&2:4&51$ 156$# (& ;# 3#=45#3A .1%) &= ()# 2#'145456 (247$#: &=2#1$a2#1$a45(#6#2 '&34=4#2: 64B# ()# 1'7$4(03#C 7)1:# &==:#( 45 3#62##: 153 7#24&34%4(< &= 1 712(4%0$12(&2:4&51$ =05%(4&5 (#2'C 2#:7#%(4B#$<A b#24&34%4(4#: ()2&06) O@=&$3 12# 1$$&?#3 =&2 (&2:4&51$7121'#(#2:A "J'8#J$W aW /34*X*+) M .@ 45 ] +*;Bc+*;Bc/34*X*+ 4+/@B*)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&21 :456$# (&2:4&51$ 156$# 7121'#(#2 :7#%4=4% (& 1(&': 45 M@'#';#2#3 2456:A *)# =42:( =&02 45(#6#2'&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: =&2 ()# 1(&': 45B&$B#3 45 ()# (&2:4&51$ 156$# (& ;# 3#=45#3A*)# 2#'145456 (247$#: &= 2#1$ 50';#2 153 45(#6#2 '&34=4#2: &7#21(# 1: 3#:%24;#3 1;&B# =&2 ()#*V/W+V, 8#<?&23A "J'8#J$[ aW /34*X*+) M .@ 45 ] +*;Bc+*;Bc/34*X*+ 4+/@B*)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&21 :456$# (&2:4&51$ 156$# 7121'#(#2 :7#%4=4% (& 1(&': 45 N@'#';#2#3 2456:A *)# =42:( =&02 45(#6#2'&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: =&2 ()# 1(&': 45B&$B#3 45 ()# (&2:4&51$ 156$# (& ;# 3#=45#3A*)# 2#'145456 (247$#: &= 2#1$ 50';#2 153 45(#6#2 '&34=4#2: &7#21(# 1: 3#:%24;#3 1;&B# =&2 ()#*V/W+V, 8#<?&23A "J'8#J$"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# (&2:4&51$ 156$# 7&(#5(41$ #5#26<(#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)# ,V,.&7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26<(#2': #>%#7( =&2 ()4: &5#A "J'8#J$($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()#(&2:4&51$ 156$# 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%# =4#$3 3#7#53#5( 153(<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)# 3#=10$( B1$0# &= GAS 4:0:#3C 4= ()# *V/W+V,^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#A "J'"J' a_ /34*X*+)U 47*3 C.B4/@B* B/3*) 59 D /34*X*+) ;30 1 +*;Bb *)4: 8#<?&23 4: 0:#3 (&72&B43# ()# B1$0#: =&2 1 :456$# (&2:4&5@(&2:4&5 7121'#(#2A *)# =42:( =4B# 45(#6#2 '&34=4#2: 64B# ()#1(&' %$1:: 50';#2: =&2 ()# 1(&': 45B&$B#3 45 ()# (?& 13D1%#5( (&2:4&51$ 156$#: (& ;# 3#=45#3A *)#$1:( (?& 45(#6#2 '&34=4#2: %&5(145 ()# 50';#2 &= 31(1 6243 7&45(: ()1( $4# 1$&56 #1%) 1>4: &= ()#(&2:4&5@(&2:4&5 '17A ]&2 #>1'7$#C ()4: B1$0# ?4$$ ;# GL =&2 1 LS 3#62## (&2:4&51$ 156$# :71%456C &$!$CLOSaLS o GJC ;0( GL B1$0#: 12# 2#I042#3 :45%# 31(1 B1$0#: =&2 @GQS 153 fGQS 3#62##: '0:( ;&() ;#:077$4#3A *)# :0;:#I0#5( $45#: %&5(145 ()# (&2:4&5@(&2:4&5 '17 31(1 1: ()# 45(#6#2 B1$0#: 45 3#62##:&= #1%) (&2:4&51$ 156$# 153 ()# (126#( #5#26< B1$0# 45 8%1$a'&$#A

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58 "#$%&' ()*+,) -./0* 58

"J'"J'"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# (&2:4&5@(&2:4&5 7&(#5(41$ #5#26<(#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)# ,V,.&7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26<(#2': #>%#7( =&2 ()4: &5#A "J'"J'($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()#(&2:4&5@(&2:4&5 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%# =4#$3 3#7#53#5( 153(<74%1$$< 72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)# 3#=10$( B1$0# &= GAS 4:0:#3C 4= ()# *V/*V/^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#A "'#NP`I#8"N$?& a?PN88#?c'N$IJOc"'#?J'cYNZ&P /34*X*+cGN#'<#8& /34*X*+b W#(:()# '#()&3 =&2 :#$#%(4&5 &= 1 (241$ 34:(15%# '1(24> 302456 34:(15%# 6#&'#(2< %&'70(1(4&5:A *)#8#<?&23 (18#: 1 '&34=4#2 ()1( :#$#%(: ()# '#()&3 (& ;# 0:#3A *)# X\c._ 153 b\+/"+W. '&34=4#2:1$:& 2#I042# 15 1334(4&51$ 45(#6#2 B1$0# ()1( :7#%4=4#: ()# 50';#2 &= 1(&': 0:#3 45 '#(24K1(4&5 153()# 7#2%#5(16# &= '#(24K1(4&5C 2#:7#%(4B#$<A *)# 3#=10$( 45 ()# 1;:#5%# &= ()4: 8#<?&23 4: (& 0:# ()#b\+/"+W. '#()&3 ?4() GSS 7#2%#5( '#(24K1(4&5A ]02()#2 45=&2'1(4&5 &5 ()# B124&0: '#()&3: 4:64B#5 ?4() ()# 3#:%247(4&5 &= ()# *+,-./ 34:(15%# 6#&'#(2< 72&621'A "'#NP`I#8"'#V("#J$ a+*;Bb W#(: ()# 454(41$ B1$0# =&2 ()# '#15 &= ()# e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`?(V#? a+*;Bb W#(: ()# B1$0# &= ()# %0;4% (#2' 45 ()# *1<$&2 :#24#: #>715:4&5 =&2' &= ()#^2#<@d213$#< 7&(#5(41$ #5#26<A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# %&#==4%4#5( 1: 1'0$(47$# &= ()# I01321(4% %&#==4%4#5(A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# ^/.k@U^d+U 8#<?&23 4:K#2&l &$!$C ()# %0;4% ^2#<@d213$#< (#2' 4: &'4((#3A ('&R`K(N'"#? a+*;Bb W#(: ()# B1$0# &= ()# I012(4% (#2' 45 ()# *1<$&2 :#24#: #>715:4&5 =&2' &= ()#^2#<@d213$#< 7&(#5(41$ #5#26<A *)# 2#1$ 50';#2 '&34=4#2 64B#: ()# B1$0# &= ()# %&#==4%4#5( 1: 1'0$(47$# &= ()# I01321(4% %&#==4%4#5(A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# ^/.k@h^\/*+U 8#<?&234: K#2&l &$!$C ()# I012(4% ^2#<@d213$#< (#2' 4: &'4((#3A ('&RV'NI aL /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 1 :456$# ^2#<@d213$#<%2&:: (#2' 7&(#5(41$ 7121'#(#2A *)# 45(#6#2 '&34=4#2: 64B# ()# 1(&' %$1:: 50';#2: =&2 ()# ()2##8453: &= 1(&': 45B&$B#3 45 ()# 156$# =&2 ?)4%) 1 ^2#<@d213$#< (#2' 4: (& ;# 3#=45#3A *)# 2#1$ 50';#2'&34=4#2: 64B# ()# =&2%# %&5:(15( B1$0# =&2 ()# (#2' 153 ()# (126#( B1$0# =&2 ()# G@L 34:(15%# 45 mA *)#3#=10$( 054(: =&2 ()# =&2%# %&5:(15( 12# 8%1$a'&$#amJC ;0( ()4: %15 ;# %&5(2&$$#3 B41 ()# ^/.k^,+*8#<?&23A ('&R"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# ^2#<@d213$#< 7&(#5(41$ #5#26< (#2'A+5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()# 7&(#5(41$A *)# ,V,. &7(4&5(025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$ 7&(#5(41$ #5#26< (#2':#>%#7( =&2 ()4: &5#A

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59 "#$%&' ()*+,) -./0* 59

('&R($#" a+*;Bb W#(: ()# :%1$# =1%(&2 5##3#3 (& %&5B#2( ()# #5#26< B1$0# %&'70(#3 ;< ()# ^2#<@d213$#< 7&(#5(41$ 45(& 054(: &= 8%1$a'&$#A *)# %&22#%( B1$0# 4: =&2%# =4#$3 3#7#53#5( 153 (<74%1$$<72&B43#3 45 ()# )#13#2 &= ()# '1:(#2 =&2%# =4#$3 7121'#(#2 =4$#A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()#^/.k^,+* 8#<?&23 4: 5&( 64B#5 45 ()# =&2%# =4#$3 7121'#(#2 =4$# &2 ()# 8#<=4$#A ZI< a1 /34*X*+ M L +*;B)b *)4: 8#<?&23 72&B43#: B1$0#: =&2 1 :456$# B15 3#2 "11$: 7121'#(#2A*)# 45(#6#2 '&34=4#2C 4= 7&:4(4B#C 64B#: ()# 1(&' %$1:: 50';#2 =&2 ?)4%) B3? 7121'#(#2: 12# (& ;#3#=45#3A ,&(# ()1( B3? 7121'#(#2: 12# 64B#5 =&2 1(&' %$1::#:C 5&( 1(&' (<7#:A *)# ()2## 2#1$ 50';#2'&34=4#2: 64B# ()# B1$0#: &= ()# 1(&' :4K# 45 mC )&'&1(&'4% ?#$$ 3#7() 45 8%1$a'&$#C 153 15 &7(4&51$2#30%(4&5 =1%(&2 =&2 054B1$#5( 1(&':A ZI<`1D`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& B153#2 "11$: 7&(#5(41$ 45(#21%(4&5: ;#(?##5 G@J %&55#%(#3 1(&':C &$!$C 1(&': ()1( 12# 342#%($< ;&53#3A*)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# cY"@GJ@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2 ()# 7121'#(#2=4$# &2 ()# 8#<=4$#A ZI<`1L`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& B153#2 "11$: 7&(#5(41$ 45(#21%(4&5: ;#(?##5 G@L %&55#%(#3 1(&':C &$!$C 1(&': :#7121(#3 ;< (?& %&B1$#5(;&53:A *)# 3#=10$( B1$0# &= SAS 4: 0:#3C 4= ()# cY"@GL@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2 ()#7121'#(#2 =4$# &2 ()# 8#<=4$#A ZI<`1W`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& B153#2 "11$: 7&(#5(41$ 45(#21%(4&5: ;#(?##5 G@M %&55#%(#3 1(&':C &$!$C 1(&': :#7121(#3 ;< ()2##%&B1$#5( ;&53:A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# cY"@GM@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2()# 7121'#(#2 =4$# &2 ()# 8#<=4$#A ZI<`1[`8?NP& a+*;Bb *)4: 8#<?&23 72&B43#: 1 '0$(47$4%1(4B# :%1$# =1%(&2 ()1( 4: 177$4#3 (& B153#2 "11$: 7&(#5(41$ 45(#21%(4&5: ;#(?##5 G@N %&55#%(#3 1(&':C &$!$C 1(&': :#7121(#3 ;< =&02 %&B1$#5(;&53:A *)# 3#=10$( B1$0# &= GAS 4: 0:#3C 4= ()# cY"@GN@WU\_. 8#<?&23 4: 5&( 64B#5 45 #4()#2 ()#7121'#(#2 =4$# &2 ()# 8#<=4$#A ZI<`?("J>> a+*;Bb W#(: ()# %0(&== 34:(15%# B1$0# 45 \56:(2&': =&2 B15 3#2 "11$: 7&(#5(41$#5#26< 45(#21%(4&5:A *)# #5#26< =&2 15< 7142 &= B15 3#2 "11$: :4(#: ;#<&53 ()# %0(&== 34:(15%# ?4$$ ;#:#( (& K#2&A V()#2 8#<?&23: %15 ;# 0:#3 (& :#$#%( 1 :'&&()456 :%)#'# 5#12 ()# %0(&== 34:(15%#A *)#3#=10$( %0(&== 34:(15%# 45 ()# 1;:#5%# &= ()# cY"@U^*V]] 8#<?&23 4: 45=454(# =&2 5&57#24&34%:<:(#': 153 RAS =&2 7#24&34% :<:(#':A ZI<`"NG&' a+*;Bb *)4: 8#<?&23 1$$&?: '&34=4%1(4&5 &= ()# %0(&== ?453&?: =&2 B15 3#2 "11$:7&(#5(41$ #5#26< 45(#21%(4&5:A +( 4: :4'4$12 45 =&2' 153 1%(4&5 (& ()# *\b./ 8#<?&23C #>%#7( ()1( 4(:B1$0# 177$4#: &5$< (& ()# B3? 7&(#5(41$A *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# cY"@*\b./ 8#<?&234: (& ;#645 ()# %0(&== ?453&? 1( SAR &= ()# B3? %0(&== 34:(15%#A ZI<1W a1 /34*X*+ M D +*;B)b *)4: 8#<?&23 72&B43#: B1$0#: =&2 1 :456$# B15 3#2 "11$: 7121'#(#2=&2 0:# 45 G@M 5&5;&53#3 45(#21%(4&5:A *)# 45(#6#2 '&34=4#2C 4= 7&:4(4B#C 64B#: ()# 1(&' %$1:: 50';#2=&2 ?)4%) B3? 7121'#(#2: 12# (& ;# 3#=45#3A ,&(# ()1( B3? 7121'#(#2: 12# 64B#5 =&2 1(&' %$1::#:C5&( 1(&' (<7#:A *)# (?& 2#1$ 50';#2 '&34=4#2: 64B# ()# B1$0#: &= ()# 1(&' :4K# 45 m 153 ()#)&'&1(&'4% ?#$$ 3#7() 45 8%1$a'&$#A /#30%(4&5 =1%(&2:C 4= 0:#3C 12# %1224#3 &B#2 =2&' ()# cY"8#<?&23 =&2 ()# :1'# 1(&' %$1::A ZI<G' aD /34*X*+) M D +*;B)b *)4: 8#<?&23 72&B43#: ()# B1$0#: =&2 ()# B3? 7121'#(#2: =&2 1:456$# :7#%41$ )#(#2&1(&'4% 7142 &= 1(&':A *)# 45(#6#2 '&34=4#2: 64B# ()# 7142 &= 1(&' %$1:: 50';#2:

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60 "#$%&' ()*+,) -./0* 60

=&2 ?)4%) :7#%41$ B3? 7121'#(#2: 12# (& ;# 3#=45#3A *)# (?& 2#1$ 50';#2 '&34=4#2: 64B# ()# B1$0#: &=()# '454'0' #5#26< %&5(1%( 34:(15%# 45 m 153 ()# ?#$$ 3#7() 1( ()# '454'0' 34:(15%# 45 8%1$a'&$#A ZI<"&'O a$J$&cJ$PRb *)4: 8#<?&23 %&5(2&$: 0:# &= ()# B15 3#2 "11$: 2#70$:4&5@34:7#2:4&57&(#5(41$ #5#26< (#2'A +5 ()# 1;:#5%# &= 1 '&34=<456 &7(4&5C ()4: 8#<?&23 (025: &5 0:# &= ()#7&(#5(41$A *)# ,V,. &7(4&5 (025: &== 0:# &= ()4: 7&(#5(41$ #5#26< (#2'A *)# V,_k &7(4&5 (025: &== 1$$7&(#5(41$ #5#26< (#2': #>%#7( =&2 ()4: &5#A ZI<"RG& aP&$$N'I`eJ$&8 c V(?%#$-YNO c V(>>&'&I`1W`_ c OOL`YVJ$I c -N(88#N$bW#(: ()# =05%(4&51$ =&2' =&2 ()# B15 3#2 "11$: 7&(#5(41$ #5#26< (#2'A *)# (#>( '&34=4#2 64B#: ()#51'# &= ()# =05%(4&51$ =&2' (& ;# 0:#3A *)# e\^WW+\, '&34=4#2 B1$0# 4'7$#'#5(: 1 (?& &2 =&02e10::415 =4( (& ()# %&22#:7&53456 _#55123@g&5#: =05%(4&5 =&2 0:# ?4() 7&(#5(41$ #5#26< :'&&()456:%)#'#:A *)# 3#=10$( 45 ()# 1;:#5%# &= ()# cY"*kb. 8#<?&23 4: (& 0:# ()# :(153123 (?& 7121'#(#2_#55123@g&5#: =05%(4&5A Z&'VJ8& *025: &5 7245(456 &= :#%&5312< 153 45=&2'1(4&51$ &0(70( 302456 1 B124#(< &= *+,-./%&'70(1(4&5:l 1 :0;:#( &= ()# '&2# #>(#5:4B# &0(70( 72&B43#3 ;< ()# Y.d^e 8#<?&23A <NPP a+*;Bb W#(: ()# 21340: &= 1 :7)#24%1$ ;&05312< 0:#3 (& '145(145 32&7$#( ;&05312<%&534(4&5:A *)# 2#1$ '&34=4#2 :7#%4=4#: ()# 3#:42#3 1772&>4'1(# 21340: &= ()# 32&7$#(A +5 721%(4%#C 1512(4=4%41$ B15 3#2 "11$: ?1$$ 4: %&5:(20%(#3 1( 1 =4>#3 ;0==#2 34:(15%# &= JAN m &0(:43# ()# :7#%4=4#321340:A *)# #==#%( 4: ()1( 1(&': ?)4%) 1((#'7( (& '&B# &0(:43# ()# 2#64&5 3#=45#3 ;< ()# 32&7$#(21340: ?4$$ ;# =&2%#3 (&?123 ()# %#5(#2A <'#"&J(" a/34*X*+b \ 6#5#21$ 7121'#(#2 =&2 4(#21(4B# 72&%#302#: :0%) 1: '454'4K1(4&5: ()1(:#(: ()# 50';#2 &= 4(#21(4&5: ;#(?##5 ?24(#: &= 45(#2'#341(# 2#:0$(: F:0%) 1: ()# %022#5(%&&23451(#:H (& 34:8 =4$#F:HA *)# 3#=10$( B1$0# 45 ()# 1;:#5%# &= ()# 8#<?&23 4: GC &$!$C ()# 45(#2'#341(#2#:0$(: 12# ?24((#5 (& =4$# &5 #B#2< 4(#21(4&5A ")#()#2 :0%%#::4B# 45(#2'#341(# 2#:0$(: 12# :1B#3 (&5#? =4$#: &2 2#7$1%# 72#B4&0:$< ?24((#5 45(#2'#341(# 2#:0$(: 4: %&5(2&$$#3 ;< ()# Vc./"/+*. 153W\c.@UkU_. 8#<?&23:A

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61 "#$%&' ()*+,) -./0* 61

h2 >5+6* >/*B0 G;+;C*4*+ 8*4) *)# *+,-./ 71%816# 4: 34:(24;0(#3 ?4() :#B#21$ =&2%# =4#$3 7121'#(#2 :#(:C 4'7$#'#5(456 1 :#$#%(4&5&= ?43#$< 0:#3 $4(#21(02# =&2%# =4#$3: 1: ?#$$ 1: ()# *+,-./ =&2%# =4#$3 %022#5($< 053#2 %&5:(20%(4&5 45()# b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b121'#(#2: =&2 ()# \TV.d\ 7&$124K1;$# 1(&'4% '0$(47&$# =&2%# =4#$3A \: &= ()# %022#5( *+,-./2#$#1:#C ?# )1B# %&'7$#(#3 7121'#(24K1(4&5 =&2 1 50';#2 &= 4&5: 153 :'1$$ &26154% '&$#%0$#:A ]&2=02()#2 45=&2'1(4&5C &2 4= <&0 12# 45(#2#:(#3 45 3#B#$&7456 &2 (#:(456 7121'#(#2: =&2 &()#2 :'1$$'&$#%0$#:C 7$#1:# %&5(1%( ()# b&53#2 $1;A bA /#5 153 gA "A b&53#2C \ U&5:4:(#5( *2#1('#5( &= +5(#2@ 153 +5(21'&$#%0$12 b&$124K1(4&5 45T&$#%0$12 T#%)154%: U1$%0$1(4&5:C BA C)D49*A C-+DAC <=C GMRP@GNSO FJSSJH bA /#5 153 gA "A b&53#2C b&$124K1;$# \(&'4% T0$(47&$# "1(#2 T&3#$ =&2 T&$#%0$12 T#%)154%:W4'0$1(4&5C BA E-0"A C-+DA FC >?@C NRLL@NRMP FJSSLH bA /#5 153 gA "A b&53#2C +&5 W&$B1(4&5 *)#2'&3<51'4%: =2&' W4'0$1(4&5 ?4() 1 b&$124K1;$# ]&2%#]4#$3C \A e2&::=4#$3C BA GDA C-+DA H)6AC ><AC GNOPG@GNOQJ FJSSLH NOJ&VNG'J2G'O b2#$4'4512< 72&(#45 7121'#(#2: =&2 ()# \TV.d\ 7&$124K1;$# 1(&'4% '0$(47&$# =&2%# =4#$3A ")4$# ()#34:(24;0(#3 7121'#(#2: 12# :(4$$ :0;D#%( (& '45&2 1$(#21(4&5 1: ?# %&5(450# B1$431(4&5C ()#< 12# 5&?:(1;$# #5&06) =&2 &()#2 62&07: (& ;#645 0:456 ()#'A ]&2 =02()#2 45=&2'1(4&5C &2 4= <&0 12# 45(#2#:(#345 (#:(456 ()# 72&(#45 7121'#(#2 :#(C 7$#1:# %&5(1%( ()# b&53#2 $1;A gA "A b&53#2 153 YA \A U1:#C ]&2%# ]4#$3: =&2 b2&(#45 W4'0$1(4&5C G3!A E2)*A C-+DAC BBC JP@QN FJSSLH bA /#5 153 gA "A b&53#2C b&$124K1;$# \(&'4% T0$(47&$#@;1:#3 b&(#5(41$ =&2 b2&(#45:E T&3#$ 153b121'#(#24K1(4&5C &. 2*!2(*("&4. NOV&'iW2G'O \Td./ CCDE 7121'#(#2: =&2 72&(#45: 153 50%$#4% 1%43:A ,&(# ()1( ?4() ()#42 ZZU&25#$$[[ =&2%# =4#$3C ()#-&$$'15 62&07 )1: 3#B4:#3 :#7121(#C =0$$< 453#7#53#5( 712(41$ %)126# B1$0#: =&2 #1%) &= ()# ,@ 153 U@(#2'451$ 1'45& 1%43 2#:430#:A \( 72#:#5(C ()# (#2'451$ 2#:430# %)126#: =&2 *+,-./[: B#2:4&5 '145(145()# %&22#%( =&2'1$ %)126#C ;0( 2#34:(24;0(#3 :&'#?)1( 1( ()# 1$7)1 %12;&5 1(&': =2&' ()# &246451$-&$$'15 62&07 B1$0#:A *)# (&(1$ '1654(03# &= ()# 2#34:(24;0(4&5 4: $#:: ()15 SASG #$#%(2&5: 45 '&:(%1:#:A "A YA U&25#$$C bA U4#7$18C UA +A d1<$<C +A /A e&0$3C -A TA T#2KC g2AC YA TA ]#260:&5C YA UA W7#$$'#<#2C *A ]&>CgA "A U1$3?#$$ 153 bA \A -&$$'15C \ W#%&53 e#5#21(4&5 ]&2%# ]4#$3 =&2 ()# W4'0$1(4&5 &= b2&(#45:C,0%$#4% \%43:C 153 V26154% T&$#%0$#:C BA GDA C-+DA H)6AC >>@C NGPR@NGRP FGRRNH qCCRMr

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62 "#$%&' ()*+,) -./0* 62

eA T&<51C XA gA "4$$41':C /A gA ,1%)'15 153 \A +A W%&((C U&5=&2'1(4&5 45 W&$0(4&5 153 Y<51'4%: &= 1W(20%(021$$< U&5:(2145#3 _45#12 +5:#%( -4545 b#5(17#7(43# \51$&60#C F.)4)I0D+2"C EDC MSL@MGLFGRRRH q\+d %)126#:r "A WA /&:: 153 UA UA X12345C +&5@+530%#3 W(1;4$4K1(4&5 &= ()# e@Y,\ h013207$#>E ]2## .5#26<b#2(02;1(4&5 W(034#:C BA GDA C-+DA H)6AC >>BC MLOL@MLOO FGRRMH q1$81$4 '#(1$ 4&5:r gA \IB4:(C +&5@"1(#2 +5(#21%(4&5 b&(#5(41$: Y#24B#3 =2&' ]2## .5#26< b#2(02;1(4&5 W4'0$1(4&5:C BAE-0"A C-+DAC DEC QSJG@QSJMC GRRS q1$81$45# #12() +&5:C 21344 1317(#3 =&2 \';#2 %&';45456 20$#r U022#5( =&2%# =4#$3 7121'#(#2 B1$0#: 153 :066#:(#3 72&%#302#: =&2 3#B#$&7'#5( &= 7121'#(#2: =&21334(4&51$ '&$#%0$#: 12# 1B14$1;$# =2&' ()# \';#2 ?#; :4(# 45 ()# U1:# $1; 1( W%2477:C)((7Eaa1';#2A:%2477:A#30a NOV&'i]2G'O \Td./ CCDB 7121'#(#2: =&2 72&(#45: 153 50%$#4% 1%43:A *)# &5$< %)156# =2&' ()# CCDE 7121'#(#2 :#(4: 45 ()# (&2:4&51$ 7121'#(#2: =&2 ()# 72&(#45 7)4a7:4 156$#:A *)#:# B1$0#: ?#2# 1$(#2#3 (& 64B# ;#((#2162##'#5( ?4() %)156#: &= CCDB ?4() _TbJ hT 2#:0$(: =2&' ()# ]24#:5#2 $1; &5 1$1545# 347#7(43#153 (#(217#7(43#A bA -&$$'15C /A Y4>&5C "A U&25#$$C *A ]&>C UA U)47&( 153 \A b&)&24$$#C *)# Y#B#$&7'#5(a \77$4%1(4&5 &= 1[T454'1$4:([ V26154%ad4&%)#'4%1$ T&$#%0$12 T#%)154% ]&2%# ]4#$3 0:456 1 U&';451(4&5 &= (F G.&"&4U1$%0$1(4&5: 153 .>7#24'#5(1$ Y1(1C 45 [email protected]*+ 8/C.B;4/53 59 V/5C5B*6.B;+ 8E)4*C)C "A ]A B15e05:(#2#5C bA -A "#45#2C \A gA "4$845:&5C #3:AC c&$0'# LC QL@RO FGRRPH qCCROr U022#5( =&2%# =4#$3 7121'#(#2 B1$0#: 153 :066#:(#3 72&%#302#: =&2 3#B#$&7'#5( &= 7121'#(#2: =&21334(4&51$ '&$#%0$#: 12# 1B14$1;$# =2&' ()# \';#2 ?#; :4(# 45 ()# U1:# $1; 1( W%2477:C)((7Eaa1';#2A:%2477:A#30a NOV&'ih2G'O \Td./ CCDH 7121'#(#2: =&2 72&(#45: 153 50%$#4% 1%43:A *)# &5$< %)156# =2&' ()# CCDE 7121'#(#2 :#(4: 45 ()# 6$<%&:434% (&2:4&51$ 7121'#(#2: ()1( %&5(2&$ :0612 70%8#2A *A .A U)#1()1' +++C bA U4#7$18 153 bA \A -&$$'15C \ T&34=4#3 c#2:4&5 &= ()# U&25#$$ #( 1$A ]&2%# ]4#$3?4() +'72&B#3 W0612 b0%8#2 b)1:#: 153 X#$4%1$ /#7#1(C BA F.)D)IA H*296*A J05AC >BC QMN@QOJ FGRRRH U022#5( =&2%# =4#$3 7121'#(#2 B1$0#: 153 :066#:(#3 72&%#302#: =&2 3#B#$&7'#5( &= 7121'#(#2: =&21334(4&51$ '&$#%0$#: 12# 1B14$1;$# =2&' ()# \';#2 ?#; :4(# 45 ()# U1:# $1; 1( W%2477:C)((7Eaa1';#2A:%2477:A#30a NOV&'ii2G'O \Td./ CCDD 7121'#(#2: =&2 72&(#45: 153 50%$#4% 1%43:A *)# &246451$ 712(41$ %)126#: =2&' ()# CCDE7121'#(#2 :#( 12# 2#(145#3C ;0( '15< &= ()# ;&53C 156$# 153 (&2:4&51$ 7121'#(#2: )1B# ;##5 2#B4:#3(& 72&B43# ;#((#2 6#5#21$ 162##'#5( ?4() #>7#24'#5(A gA "156C bA U4#7$18 153 bA \A -&$$'15C X&? "#$$ Y&#: 1 /#:(2145#3 .$#%(2&:(1(4% b&(#5(41$ F/.WbHT&3#$ b#2=&2' 45 U1$%$01(456 U&5=&2'1(4&51$ .5#264#: &= V26154% 153 d4&$&64%1$ T&$#%0$#:tC BAC)D49*A C-+DAC <>C GSMR@GSPM FJSSSH

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63 "#$%&' ()*+,) -./0* 63

U022#5( =&2%# =4#$3 7121'#(#2 B1$0#: 153 :066#:(#3 72&%#302#: =&2 3#B#$&7'#5( &= 7121'#(#2: =&21334(4&51$ '&$#%0$#: 12# 1B14$1;$# =2&' ()# \';#2 ?#; :4(# 45 ()# U1:# $1; 1( W%2477:C)((7Eaa1';#2A:%2477:A#30a ?YN'OO1i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d&53456C b)AYA *)#:4:C Y#712('#5( &= U)#'4:(2<CX12B123 ^54B#2:4(<C U1';2436#C T\C GRQN ?YN'OODD2G'O UX\/TTJP 1$$@1(&' 7121'#(#2: =&2 72&(#45: 153 $4743:A T&:( &= ()# 50%$#4% 1%43 153 :'1$$ '&3#$%&'7&053 7121'#(#2: 12# 5&( <#( 4'7$#'#5(#3A "# 7$15 (& 72&B43# ()#:# 1334(4&51$ 7121'#(#2: 4530# %&02:#A ,A ]&$&77# 153 \A YA T1%-#2#$$C g2AC \$$@\(&' .'7424%1$ ]&2%# ]4#$3 =&2 ,0%$#4% \%43:E GH b121'#(#2V7(4'4K1(4&5 d1:#3 &5 W'1$$ T&$#%0$# 153 U&53#5:#3 b)1:# T1%2&'&$#%0$12 *126#( Y1(1C BA C)D49*AC-+DAC <>C QO@GSM FJSSSH qUX\/TTJPr ,A d151B1$4 153 \A YA T1%-#2#$$C g2AC \$$@\(&' .'7424%1$ ]&2%# ]4#$3 =&2 ,0%$#4% \%43:E JH \77$4%1(4&5(& T&$#%0$12 Y<51'4%: W4'0$1(4&5: &= Y,\ 153 /,\ 45 W&$0(4&5C BA C)D49*A C-+DAC <>C GSN@GJSFJSSSH \A YA T1%-#22#$$C g2AC !" ()$C \$$@\(&' .'7424%1$ b&(#5(41$ =&2 T&$#%0$12 T&3#$456 153 Y<51'4%: W(034#:&= b2&(#45:C BA E-0"A C-+DA FC >?<C LNQO@LOGO FGRRQH qUX\/TTJJr \A YA T1%-#2#$$C g2AC gA "4&28#4?4%K@-0%K#21 153 TA -127$0:C \5 \$$@\(&' .'7424%1$ .5#26< ]05%(4&5=&2 ()# W4'0$1(4&5 &= ,0%$#4% \%43:C BA GDA C-+DA H)6AC >>@C GGRMO@GGRPN FGRRNH WA .A ]#$$#2C YA k45C /A "A b1:(&2 153 \A YA T1%-#2#$$C g2AC T&$#%0$12 Y<51'4%: W4'0$1(4&5 &=^5:1(021(#3 _4743: 1( _&? X<321(4&5E b121'#(24K1(4&5 153 U&'7124:&5 ?4() Y4==21%(4&5 W(034#:CF.)4-0".6:I B)925:IC @=C JJOR@JJPR FGRRPH q1$8#5#:r /A XA W(&(# 153 TA -127$0:C j45% d453456 45 b2&(#45: 153 W&$0(4&5 @ \ W4'7$# ;0( \%%021(# ,&5;&53#3/#72#:#5(1(4&5C E2)*+.5"C <=C GJ@LG FGRRNH qK45% 4&5r U022#5( 153 $#61%< 7121'#(#2 B1$0#: 12# 1B14$1;$# =2&' ()# UX\/TT =&2%# =4#$3 ?#; :4(# &5 \$#>T1%-#2#$$[: /#:#12%) +5(#2#:(: 716# 1( ()# ^54B#2:4(< &= T12<$153 W%)&&$ &= b)12'1%<C)((7:Eaa2>:#%02#A0'12<$153A#30a2#:#12%)a1'1%8#2#a2#:#12%)A)('$a I(I&%2G'O

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64 "#$%&' ()*+,) -./0* 64

b2&(#45@&5$< 7121'#(#2: =&2 ()# #12$< GRRS[: *+,-./ =&2%# =4#$3 ?4() '0$(47&$# B1$0#: &= Y03#8 153b&53#2A *)# %022#5( =4$# %&5(145: &5$< ()# '0$(47&$# B1$0#: =2&' ()# GRRN 717#2 ;< Y03#8 153b&53#2A *)4: :#( 4: 5&? :07#2%##3#3 ;< ()# '&2# 2#%#5( *+,-./ =&2%# =4#$3 3#B#$&7#3 ;< b#56<0/#5 F:## "\*./Ab/TC ;#$&?HA TA gA Y03#8 153 gA "A b&53#2C \%%021(# .$#%(2&:(1(4% T&3#$$456 &= ()# +5(21'&$#%0$12 .5#26< &=b2&(#45:C BA C)D49*A C-+DAC >BC PRG@QGO FGRRNH &$?NI2G'O .,U\Y 7121'#(#2: =&2 72&(#45: 153 50%$#4% 1%43:A F&. 2*!2(*("&4.H TA _#B4((C TA X42:);#26C /A W)12&5 153 cA Y166#((C b&(#5(41$ .5#26< ]05%(4&5 153 b121'#(#2: =&2W4'0$1(4&5: &= ()# T&$#%0$12 Y<51'4%: &= b2&(#45 153 ,0%$#4% \%43: 45 W&$0(4&5C C)D4A E-0"AC)DD95AC D>C JGN@JLG FGRRNH TA _#B4((C TA X42:);#26C /A W)12&5C -A .A _14346 153 cA Y166#((C U1$4;21(4&5 153 *#:(456 &= 1 "1(#2T&3#$ =&2 W4'0$1(4&5 &= ()# T&$#%0$12 Y<51'4%: &= b2&(#45 153 ,0%$#4% \%43: 45 W&$0(4&5C BA E-0"AC-+DA FC >?>C NSNG@NSOG FGRRPH q]LU ?1(#2r YJ?Y2G'O W4'7$# ,T/@,V. =&2%# =4#$3 &= X&%) 153 W(#25A gA UA X&%) 153 \A WA W(#25C \ T#()&3 =&2 Y#(#2'45456 VB#21$$ b2&(#45 ]&$3 =2&' ,T/ Y4:(15%#/#:(2145(:C BA F.)D)IA (K@C <C NLN@NML FGRRJH OOD2G'O ]0$$ TTJFGRRGH 7121'#(#2: 45%$03456 #@:<:(#':A *)# 15&'#24% 153 #$#%(2&5#61(4B4(< %&22#%(4&5(#2': 45%$03#3 45 :&'# $1(#2 B#2:4&5: &= TTJ 12# 5&( 4'7$#'#5(#3A ,A _A \$$456#2C U&5=&2'1(4&51$ \51$<:4:A GLSA TTJA \ X<32&%12;&5 ]&2%# ]4#$3 ^(4$4K456 cG 153 cJ*&2:4&51$ *#2':C BA GDA C-+DA H)6AC DDC QGJP@QGLM FGRPPH gA *A W72160#C gA UA *14C kA k0) 153 ,A _A \$$456#2C *)# TTbJ U1$%0$1(4&51$ T#()&3C BA C)D49*A C-+DAC HCNQG@OSL FGRQPH gA UA *14 153 ,A _A \$$456#2C T&$#%0$12 T#%)154%: U1$%0$1(4&5: &5 U&5D061(#3 ,4(2&6#5@U&5(145456X#(#2&%<%$#:C BA GDA C-+DA H)6AC >>?C JSNS@JSNN FGRQQH gA UA *14C gA@XA _44 153 ,A _A \$$456#2C \ T&$#%0$12 T#%)154%: FTTJH W(03< &= ]0215C *)4&7)#5#C 153/#$1(#3 U&'7&053:C BA C)D49*A C-+DAC >?C OLN@OMP FGRQRH ,A _A \$$456#2C /A \A -&8 153 TA /A +'1'C X<32&6#5 d&53456 45 TTJC BA C)D49*A C-+DAC DC NRG@NRNFGRQQH _A ,&2:8&B@_1024(:#5 153 ,A _A \$$456#2C \ T&$#%0$12 T#%)154%: *2#1('#5( &= ()# \5&'#24% .==#%(C BAC)D49*A C-+DAC AC LJO@LLN FGRQMH \$$ 7121'#(#2: 34:(24;0(#3 ?4() *+,-./ 12# =2&' ()# ZZTTJ FGRRGH b121'#(#2 W#([[C 1: 72&B43#3 ;<,A _A \$$456#2C ^54B#2:4(< &= e#&2641

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65 "#$%&' ()*+,) -./0* 65

OOL2G'O ]0$$ TTLFJSSSH 7121'#(#2: 45%$03456 74@:<:(#':A *)# 342#%(4&51$ )<32&6#5 ;&53456 (#2' 153#$#%(2&5#61(4B4(< ;&53 $#56() %&22#%(4&5: 12# 4'7$#'#5(#3C ;0( ()# 15&'#24% 153 d&)$'155%&22#%(4&5 (#2': 12# 5&( 4'7$#'#5(#3A ,A _A \$$456#2C kA XA k0) 153 gA@XA _44C T&$#%0$12 T#%)154%:A *)# TTL ]&2%# ]4#$3 =&2 X<32&%12;&5:A GCBA GDA C-+DA H)6AC >>>C QNNG@QNOO FGRQRH gA@XA _44 153 ,A _A \$$456#2C T&$#%0$12 T#%)154%:A *)# TTL ]&2%# ]4#$3 =&2 X<32&%12;&5:A JAc4;21(4&51$ ]2#I0#5%4#: 153 *)#2'&3<51'4%:C BA GDA C-+DA H)6AC >>>C QNOO@QNPN FGRQRH gA@XA _44 153 ,A _A \$$456#2C T&$#%0$12 T#%)154%:A *)# TTL ]&2%# ]4#$3 =&2 X<32&%12;&5:A LA *)# B153#2 "11$:[ b&(#5(41$: 153 U2<:(1$ Y1(1 =&2 \$47)1(4% 153 \2&'1(4% X<32&%12;&5:C BA GDA C-+DA H)6ACGGGC QNPO@QNQJ FGRQRH ,A _A \$$456#2C XA gA e#4:#C "A b<%8)&0(C _A \A b1I0#((# 153 gA UA e1$$0%%4C W(20%(02#: &= ,&2;&2515# 153Y&3#%1)#3215# ;< T&$#%0$12 T#%)154%: U1$%0$1(4&5: FTTLHC `@21< U2<:(1$$&6217)<C 153 .$#%(2&5Y4==21%(4&5C BA GDA C-+DA H)6AC >>>C GGSO@GGGM FGRQRH q:(2#(%)@(&2:4&5 %2&:: (#2'r ,A _A \$$456#2C ]A _4 153 _A k15C T&$#%0$12 T#%)154%:A *)# TTL ]&2%# ]4#$3 =&2 \$8#5#:C BA C)D49*AC-+DAC >>C QMQ@QOP FGRRSH ,A _A \$$456#2C ]A _4C _A k15 153 gA UA *14C T&$#%0$12 T#%)154%: FTTLH U1$%0$1(4&5: &5 U&5D061(#3X<32&%12;&5:C BA C)D49*A C-+DAC >>C QOQ@QRN FGRRSH gA@XA _44 153 ,A _A \$$456#2C Y42#%(4&51$ X<32&6#5 d&53456 45 ()# TTL ]&2%# ]4#$3A +C BA E-0"A L2MAC-+DAC @C NRG@OSR FGRRMH gA@XA _44 153 ,A _A \$$456#2C Y42#%(4&51$ X<32&6#5 d&53456 45 ()# TTL ]&2%# ]4#$3A ++C BA C)D49*A C-+DAC>DC GSSG@GSGO FGRRQH \$$ 7121'#(#2: 34:(24;0(#3 ?4() *+,-./ 12# =2&' ()# ZZTTL FJSSSH b121'#(#2 W#([[C 1: 72&B43#3 ;<,A _A \$$456#2C ^54B#2:4(< &= e#&2641C \060:( JSSS OOLG'J2G'O b2&(#45@&5$< B#2:4&5 &= ()# TTL 7121'#(#2:A gA@XA _44 153 ,A _A \$$456#2C *)# TTL ]&2%# ]4#$3 =&2 \'43#:C b&$<7#7(43#: 153 b2&(#45:C BA C)D49*AC-+DAC ><C GQO@GRR FGRRGH JGP8(N2G'O U&'7$#(# Vb_W@^\ ?4() 054(#3@1(&' 7121'#(#2: =&2 72&(#45: 153 '15< %$1::#: &= &26154% '&$#%0$#:A.>7$4%4( )<32&6#5: &5 7&$12 1(&': 153 12&'1(4% %12;&5:A "A _A g&26#5:#5 153 gA *4213&@/4B#:C *)# Vb_W b&(#5(41$ ]05%(4&5: =&2 b2&(#45:A .5#26< T454'4K1(4&5:=&2 U2<:(1$: &= U<%$4% b#7(43#: 153 U21';45C BA GDA C-+DA H)6AC >>?C GONP@GOOO FGRQQH q7#7(43# 15372&(#45:r

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66 "#$%&' ()*+,) -./0* 66

"A _A g&26#5:#5 153 YA _A W#B#215%#C \2&'1(4%@\2&'1(4% +5(#21%(4&5:E ]2## .5#26< b2&=4$#: =&2 ()#d#5K#5# Y4'#2 45 "1(#2C U)$&2&=&2'C 153 _4I043 d#5K#5#C BA GDA C-+DA H)6AC >><C MPOQ@MPPM FGRRSHq12&'1(4% )<32&6#5:r WA gA "#45#2C bA \A -&$$'15C YA \A U1:#C ^A UA W456)C UA e)4&C eA \$16&51C WA b2&=#(1C g2A 153 bA "#45#2C \,#? ]&2%# ]4#$3 =&2 T&$#%0$12 T#%)154%1$ W4'0$1(4&5 &= ,0%$#4% \%43: 153 b2&(#45:C BA GDA C-+DAH)6AC >?BC PON@PQM FGRQMH q054(#3@1(&' ZZ\Td./aVb_W[[ $&%1$ 6#&'#(2<r WA gA "#45#2C bA \A -&$$'15C YA *A ,60<#5 153 YA \A U1:#C \5 \$$ \(&' ]&2%# ]4#$3 =&2 W4'0$1(4&5: &=b2&(#45: 153 ,0%$#4% \%43:C BA C)D49*A C-+DAC @C JLS@JNJ FGRQOH q1$$@1(&' u\Td./aVb_Wu $&%1$6#&'#(2<r _A `A Y156 153 dA TA b#((4((C W4'7$# +5(21'&$#%0$12 T&3#$ b&(#5(41$: =&2 "1(#2C BA E-0"A C-+DAC D>CLLMR@LLNM FGRQPH q=$#>4;$# *+bLb 153 WbU ?1(#2r "A _A g&26#5:#5C gA YA T13021 153 UA gA W?#5:&5C V7(4'4K#3 +5(#2'&$#%0$12 b&(#5(41$ ]05%(4&5: =&2_4I043 X<32&%12;&5:C BA GDA C-+DA H)6AC >?BC OOLQ@OOMO FGRQMH q)<32&%12;&5:r "A _A g&26#5:#5C .A /A _1423C *A dA ,60<#5 153 gA *4213&@/4B#:C T&5(# U12$& W4'0$1(4&5: &= b02# _4I043W0;:(4(0(#3 d#5K#5#: ?4() Vb_W b&(#5(41$ ]05%(4&5:C BA C)D49*A C-+DAC >EC JSO@JGN FGRRLHq:0;:(4(0(#3 ;#5K#5#:r .A TA Y0==<C bA gA -&?1$%K<8 153 "A _A g&26#5:#5C Y& Y#51(0215(: +5(#21%( ?4() \2&'1(4%X<32&%12;&5: 45 "1(#2tC BA GDA C-+DA H)6AC >>AC RJPG@RJPN FGRRLH q;#5K#5#C 517)()1$#5#C 02#1C6015434540'C (#(21'#()<$ 1''&540'r "A _A g&26#5:#5 153 UA gA W?#5:&5C V7(4'4K#3 +5(#2'&$#%0$12 b&(#5(41$ ]05%(4&5: =&2 \'43#: 153b#7(43#:A W(20%(02# 153 b2&7#2(4#: &= _4I043 \'43#:C BA GDA C-+DA H)6AC >?BC PON@PQM FGRQMHq1'43#:r "A _A g&26#5:#5C gA TA d2466: 153 TA _A U&5(2#21:C /#$1(4B# b12(4(4&5 U&#==4%4#5(: =&2 V26154% W&$0(#:=&2' ]$043 W4'0$1(4&5:C BA E-0"A C-+DAC DEC GOQL@GOQO FGRRSH q%)$&2&=&2'C 7<24345#C 7<21K45#C7<24'4345#r gA TA d2466:C *A dA ,60<#5 153 "A _A g&26#5:#5C T&5(# U12$& W4'0$1(4&5: &= _4I043 \%#(4% \%43 153T#()<$ \%#(1(# ?4() ()# Vb_W b&(#5(41$ ]05%(4&5:C BA E-0"A C-+DAC DAC LLGN@LLJJ FGRRGH q1%#(4% 1%43C'#()<$ 1%#(1(#r XA _40C ]A T0$$#2@b$1()# 153 "A ]A B15 e05:(#2#5C \ ]&2%# ]4#$3 =&2 _4I043 Y4'#()<$ W0$=&>43# 153b)<:4%1$ b2&7#2(4#: &= _4I043 Y4'#()<$ W0$=&>43# U1$%0$1(#3 ^:456 T&$#%0$12 Y<51'4%: W4'0$1(4&5C BAGDA C-+DA H)6AC >>@C MLOL@MLOO FGRRNH q34'#()<$ :0$=&>43#r gA e1&C `A `41 153 *A ]A e#&26#C +'7&2(15%# &= d4'&$#%0$12 +5(#21%(4&5: 45 Y#B#$&7456 .'7424%1$b&(#5(41$ ]05%(4&5: =&2 _4I043 \''&541C BA E-0"A C-+DAC D@C RJMG@RJMO FGRRLH q1''&541r gA \IB4:(C +&5@"1(#2 +5(#21%(4&5 b&(#5(41$: Y#24B#3 =2&' ]2## .5#26< b#2(02;1(4&5 W4'0$1(4&5:C BAE-0"A C-+DAC DEC QSJG@QSJM FGRRSH q'#(1$ 4&5:r "A WA /&:: 153 UA UA X12345C +&5@+530%#3 W(1;4$4K1(4&5 &= ()# e@Y,\ h013207$#>E ]2## .5#26<b#2(02;1(4&5 W(034#:C BA GDA C-+DA H)6AC >>BC MLOL@MLOO FGRRMH q1$81$4 '#(1$ 4&5:r gA U)15321:#8)12C YA UA W7#$$'#<#2 153 "A _A g&26#5:#5C .5#26< U&'7&5#5( \51$<:4: =&2 Y4$0(#\I0#&0: W&$0(4&5: &= _4fC ,1fC ]@C 153 U$@ +&5:C BA GDA C-+DA H)6AC >?BC RSL@RGS FGRQMH q)1$43# 4&5:r

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67 "#$%&' ()*+,) -./0* 67

T&:( 7121'#(#2: 34:(24;0(#3 ?4() *+,-./ 12# =2&' ZZVb_W 153 Vb_W@\\ b121'#(#2: =&2 V26154%T&$#%0$#:C +&5:C 153 ,0%$#4% \%43:[[ 1: 72&B43#3 ;< "A _A g&26#5:#5C k1$# ^54B#2:4(<C V%(&;#2 GRRP JGP8NN2G'O Vb_W@\\ =&2%# =4#$3 ?4() 1$$@1(&' 7121'#(#2: =&2 72&(#45: 153 '15< 6#5#21$ %$1::#: &= &26154%'&$#%0$#:A "A _A g&26#5:#5C YA WA T1>?#$$ 153 gA *4213&@/4B#:C Y#B#$&7'#5( 153 *#:(456 &= ()# Vb_W \$$@\(&']&2%# ]4#$3 &5 U&5=&2'1(4&51$ .5#26#(4%: 153 b2&7#2(4#: &= V26154% _4I043:C BA GDA C-+DA H)6AC >>@CGGJJN@GGJLO FGRROH YA WA T1>?#$$C gA *4213&@/4B#: 153 "A _A g&26#5:#5C \ U&'72#)#5:4B# W(03< &= ()# /&(1(4&51$ .5#26<b2&=4$#: &= V26154% W<:(#': ;< IF G.&"&4 TV *)#&2<C ]&2'456 1 d1:4: =&2 b#7(43# *&2:4&51$b121'#(#2:C BA C)D49*A C-+DAC >BC RQM@GSGS FGRRNH "A _A g&26#5:#5 153 ,A \A T%Y&51$3C Y#B#$&7'#5( &= 15 \$$@\(&' ]&2%# ]4#$3 =&2 X#(#2&%<%$#:Ab2&7#2(4#: &= _4I043 b<24345# 153 Y41K#5#:C <N?LCN?KOBA K)IA H*296*AC E<EC GMN@GNN FGRRQH ,A \A T%Y&51$3 153 "A _A g&26#5:#5C Y#B#$&7'#5( &= 15 \$$@\(&' ]&2%# ]4#$3 =&2 X#(#2&%<%$#:Ab2&7#2(4#: &= _4I043 b<22&$#C ]0215C Y41K&$#:C 153 V>1K&$#:C BA E-0"A C-+DA FC >?<C QSMR@QSNR FGRRQH /A UA /4KK& 153 "A _A g&26#5:#5C Vb_W \$$@\(&' T&3#$ =&2 \'45#:E /#:&$0(4&5 &= ()# \'45# X<321(4&5b2&;$#'C BA GDA C-+DA H)6AC ><>C MQJP@MQLO FGRRRH TA _A bA b24%#C YA V:(2&B:8< 153 "A _A g&26#5:#5C e1:@b)1:# 153 _4I043@W(1(# b2&7#2(4#: &= .:(#2:C,4(24$#:C 153 ,4(2& U&'7&053: ?4() ()# Vb_W@\\ ]&2%# ]4#$3C BA C)D49*A C-+DAC <<C GLMS@GLNJFJSSGH \$$ 7121'#(#2: 34:(24;0(#3 ?4() *+,-./ 12# =2&' ZZVb_W 153 Vb_W@\\ b121'#(#2: =&2 V26154%T&$#%0$#:C +&5:C 153 ,0%$#4% \%43:[[ 1: 72&B43#3 ;< "A _A g&26#5:#5C k1$# ^54B#2:4(<C V%(&;#2 GRRP JGP8NNP2G'O \5 4'72&B#3 Vb_W@\\ 7121'#(#2 :#( =&2 72&(#45: 45 ?)4%) ()# &5$< %)156# 4: 1 2#?&28456 &= '15< &=()# ;1%8;&5# 153 :43#%)145 (&2:4&51$ 7121'#(#2: (& 64B# ;#((#2 162##'#5( ?4() _TbJ hT%1$%0$1(4&5:A *)4: 7121'#(#2 :#( 4: 1$:& 85&?5 1: Vb_WFJSSSHA eA \A -1'45:8<C /A \A ]24#:5#2C gA *4213&@/4B#: 153 "A _A g&26#5:#5C .B1$01(4&5 153 /#7121'#(24K1(4&5&= ()# Vb_W@\\ ]&2%# ]4#$3 =&2 b2&(#45: B41 U&'7124:&5 ?4() \%%021(# h015(0' U)#'4%1$U1$%0$1(4&5: &5 b#7(43#:C BA E-0"A C-+DA FC >?AC OMPM@OMQP FJSSGH 8OJJ"Y2G'O c#2:4&5 &= Vb_W@^\ =&2 0:# ?4() 7&(#5(41$ :'&&()456A _126#$< 1317(#3 $126#$< =2&' :(153123 Vb_W@^\ 7121'#(#2: ?4() '&34=4%1(4&5: (& ()# B3? 153 4'72&7#2 (&2:4&5 (#2':A /A cA b1770C /A -A X12( 153 gA "A b&53#2C \51$<:4: 153 \77$4%1(4&5 &= b&(#5(41$ .5#26< W'&&()456 153W#12%) T#()&3: =&2 e$&;1$ V7(4'4K1(4&5C BA E-0"7 C-+DA FC >?<C RPJN@RPMJ FGRRQH q:'&&()456'&34=4%1(4&5:r 8OJJ"YNN2G'O

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68 "#$%&' ()*+,) -./0* 68

c#2:4&5 &= Vb_W@\\ =&2 0:# ?4() 7&(#5(41$ :'&&()456A _126#$< 1317(#3 $126#$< =2&' :(153123 Vb_W@\\ 7121'#(#2: ?4() '&34=4%1(4&5: (& ()# B3? 153 4'72&7#2 (&2:4&5 (#2':A /A cA b1770C /A -A X12( 153 gA "A b&53#2C \51$<:4: 153 \77$4%1(4&5 &= b&(#5(41$ .5#26< W'&&()456 153W#12%) T#()&3: =&2 e$&;1$ V7(4'4K1(4&5C BA E-0"7 C-+DA FC >?<C RPJN@RPMJ FGRRQH q:'&&()456'&34=4%1(4&5:r <N"&'2G'O *)# \TV.d\ ?1(#2 7121'#(#2: =&2 1 7&$124K1;$# 1(&'4% '0$(47&$# #$#%(2&:(1(4%: '&3#$A *)4: '&3#$4: #I01$ &2 ;#((#2 (& ()# ;#:( 1B14$1;$# ?1(#2 '&3#$: =&2 '15< ;0$8 153 %$0:(#2 72&7#2(4#:A bA /#5 153 gA "A b&53#2C \ b&$124K1;$# \(&'4% T0$(47&$# "1(#2 T&3#$ =&2 T&$#%0$12 T#%)154%:W4'0$1(4&5C BA E-0"A C-+DA FC >?@C NRLL@NRMP FJSSLH bA /#5 153 gA "A b&53#2C +&5 W&$B1(4&5 *)#2'&3<51'4%: =2&' W4'0$1(4&5 ?4() 1 b&$124K1;$# ]&2%#]4#$3C \A e2&::=4#$3C BA GDA C-+DA H)6AC ><AC GNOPG@GNOQJ FJSSLH bA /#5 153 gA "A b&53#2C *#'7#21(02# 153 b2#::02# Y#7#53#5%# &= ()# \TV.d\ "1(#2 T&3#$C BAE-0"A C-+DA FC >?HC >>>>@>>>> FJSSMH \5 #12$4#2 B#2:4&5 ()# \TV.d\ ?1(#2 '&3#$ 4: 3#:%24;#3 45E k&56 -&56C T0$(47&$# .$#%(2&:(1(4%T#()&3: =&2 b2&(#45 T&3#$456 ?4() /#1%(4&5 ]4#$3 *2#1('#5(C d4&%)#'4:(2< v T&$#%0$12 d4&7)<:4%:C"1:)456(&5 ^54B#2:4(<C W(A _&04:C \060:(C GRRP q1B14$1;$# =2&' )((7Eaa31:)#2A?0:($A#30a7&53#2ar

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69 "#$%&' ()*+,) -./0* 69

i2 I*)6+/@4/53) 59 "#$%&' '5.4/3*) *)# 34:(24;0(4&5 B#2:4&5 &= ()# *+,-./ 71%816# %&5(145: &B#2 PSS :#7121(# 72&621':C :0;2&0(45#:153 =05%(4&5:A *)4: :#%(4&5 %&5(145: 1 ;24#= 3#:%247(4&5 &= ()# 7027&:# &= '&:( &= ()#:# %&3# 054(:A]02()#2 45=&2'1(4&5 %15 ;# =&053 45 ()# %&''#5(: $&%1(#3 1( ()# (&7 &= #1%) :&02%# %&3# =4$#A N?"#Z& 8.A+5.4/3* u1%(4B#u :#(: ()# $4:( &= 1(&': ()1( 12# 0:#3 302456 #1%) 7&(#5(41$ #5#26< =05%(4&5 %1$%0$1(4&5 NIIVN8& 8.A+5.4/3* u133;1:#u ;04$3: ()# U12(#:415 %&&23451(#: =&2 1 :456$# 50%$#4% 1%43 ;1:#l %&&23451(#: 12# 2#13 =2&'()# b2&(#45 Y1(1 d158 =4$# &2 =&053 =2&' 45(#251$ %&&23451(#:C ()#5 1(&' (<7#: 12# 1::465#3 153%&55#%(4B4(< 31(1 6#5#21(#3 NIIVJ$I 8.A+5.4/3* u133;&53u 133: #5(24#: (& ()# 1((1%)#3 1(&': $4:( 45 &23#2 (& 6#5#21(# 1 342#%( %&55#%(4&5 ;#(?##5(?& 1(&': NII8#I& 8.A+5.4/3* u133:43#u ;04$3: ()# U12(#:415 %&&23451(#: =&2 1 :456$# 1'45& 1%43 :43# %)145l %&&23451(#: 12# 2#13=2&' ()# b2&(#45 Y1(1 d158 =4$# &2 =&053 =2&' 45(#251$ %&&23451(#:C ()#5 1(&' (<7#: 12# 1::465#3 153%&55#%(4B4(< 31(1 6#5#21(#3 NIeN?&$" >.364/53 u13D1%#5(u =453: 15 1(&' %&55#%(#3 (& 1(&' u4Gu &()#2 ()15 1(&' u4Jul 4= 5& :0%) 1(&' #>4:(:C ()#5 ()#%$&:#:( 1(&' 45 :71%# 4: 2#(025#3 NP?Y&OR G+5X+;C u1$%)#'<u %&'70(#: ()# =2## #5#26< 34==#2#5%# %&22#:7&53456 (& 1 :'1$$ 7#2(02;1(4&5 ;< d&$(K'155?#46)(456 ()# 7&(#5(41$ #5#26< 34==#2#5%# &B#2 1 50';#2 &= :1'7$# :(1(#:l %022#5( B#2:4&5F45%&22#%($<H %&5:43#2: ()# %)126# #5#26< (& ;# 45(#2'&$#%0$12 45 =453456 ()# 7#2(02;1(4&5 #5#264#: N$NPR8#8 8.A+5.4/3* u151$<:4:u %1$$: ()# :#24#: &= 2&0(45#: 5##3#3 (& %1$%0$1(# ()# 7&(#5(41$ #5#26< 153 7#2=&2' #5#26<712(4(4&5456 151$<:4: 45 (#2': &= (<7# &= 45(#21%(4&5 &2 1(&' 50';#2 N$NPRSW 8.A+5.4/3* u151$<KMu 7245(: ()# #5#26< (& M 3#%4'1$ 7$1%#: 153 50';#2 &= 45(#21%(4&5: =&2 #1%) %&'7&5#5( &=()# 7&(#5(41$ #5#26< N$NPRS] 8.A+5.4/3*

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70 "#$%&' ()*+,) -./0* 70

u151$<KOu 7245(: ()# #5#26< (& O 3#%4'1$ 7$1%#: 153 50';#2 &= 45(#21%(4&5: =&2 #1%) %&'7&5#5( &=()# 7&(#5(41$ #5#26< N$NPRSh 8.A+5.4/3* u151$<KQu 7245(: ()# #5#26< (& Q 3#%4'1$ 7$1%#: 153 50';#2 &= 45(#21%(4&5: =&2 #1%) %&'7&5#5( &=()# 7&(#5(41$ #5#26< N$NPRS& G+5X+;C u151$<K#u %&'70(#: 153 34:7$1<: ()# (&(1$ 7&(#5(41$l &7(4&5: 12# 72&B43#3 (& 712(4(4&5 ()# #5#26< ;<1(&' &2 ;< 7&(#5(41$ =05%(4&5 (<7#l 7121'#(#2: 0:#3 45 %&'70(456 45(#21%(4&5: %15 1$:& ;# 34:7$1<#3;< 1(&'l &0(70( &= $126# #5#26< 45(#21%(4&5: 153 &= #$#%(2&:(1(4% 153 45#2(41$ 72&7#2(4#: 4: 1B14$1;$# N$-P&8 8.A+5.4/3* u156$#:u =453: ()# (&(1$ 50';#2 &= ;&53 156$#: 153 :(&2#: ()# 1(&' 50';#2: &= ()# 1(&': 3#=45456#1%) 156$#l =&2 #1%) 156$# (& 1 (24B1$#5( %#5(21$ 1(&'C ()# ()423 ;&53#3 1(&' 4: :(&2#3 =&2 0:# 45 &0(@&=@7$15# ;#53456 N$$&NP G+5X+;C u155#1$u 7#2=&2': 1 :4'0$1(#3 155#1$456 72&(&%&$ ;< '#15: &= B1241;$# (#'7#21(02# '&$#%0$123<51'4%: 0:456 #4()#2 $45#12C #>7&5#5(41$ &2 :46'&431$ %&&$456 :%)#30$#: N$J'O >.364/53 u15&2'u =453: ()# 5&2' F$#56()H &= 1 B#%(&2l 0:#3 1: 1 :#2B4%# 2&0(45# ;< ()# U&55&$$< :02=1%# 12#1153 B&$0'# %&'70(1(4&5 N'?Y#Z& G+5X+;C u12%)4B#u 4: 1 0(4$4(< 72&621' =&2 %&&23451(# =4$#: ?)4%) %&5%1(#51(#: '0$(47$# %&&23451(# :#(: 45(& 1:456$# 12%)4B# =4$#C &2 #>(21%(: 4534B4301$ %&&23451(# :#(: =2&' 15 12%)4B# N8&" 8.A+5.4/3* u1:#(u %&'70(#: ;< 2#%02:4&5 ()# \ =05%(4&5: 0:#3 45 ()# #B1$01(4&5 &= W$1(#2@(<7# FW*VH &B#2$1745(#621$: N"JORS& 8.A+5.4/3* u1(&'<K#u 7245(: ()# 7&(#5(41$ #5#26< %&'7&5#5(: ;2&8#5 3&?5 ;< 1(&' 153 (& 1 %)&4%# &= 72#%4:4&5 N""N?Y 8.A+5.4/3* u1((1%)u 6#5#21(#: $4:(: &= G@LC G@M 153 G@N %&55#%(4B4(4#: :(12(456 =2&' ()# 72#B4&0:$< 3#(#2'45#3 $4:(&= 1((1%)#3 1(&': F4#C G@J %&55#%(4B4(<H

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71 "#$%&' ()*+,) -./0* 71

VN8&>#P& 8.A+5.4/3* u;1:#=4$#u #>(21%(: =2&' 15 4570( =4$#51'# ()# 7&2(4&5 %&5:4:(456 &= 15< 342#%(&2< 51'# 153 ()# ;1:#=4$#51'# V?(?J> 8.A+5.4/3* u;%0%&=u 3#(#2'45#: ()# %&#==4%4#5( '1(24> 5##3#3 =&2 ;4%0;4% 45(#27&$1(4&5 &= 1 =05%(4&5C 62134#5(:153 %2&:: 3#24B1(4B#: V?(#$" 8.A+5.4/3* u;%045(u 7#2=&2': 1 ;4%0;4% 45(#27&$1(4&5 &= ()# =05%(4&5 B1$0# &5 1 JY :7$45# 6243 V?(#$"1 8.A+5.4/3* u;%045(Gu 7#2=&2': 1 ;4%0;4% 45(#27&$1(4&5 &= ()# =05%(4&5 B1$0# 153 62134#5( 1$&56 ()# 342#%(4&5: &= 1JY :7$45# 6243 V?(#$"D 8.A+5.4/3* u;%045(Ju 7#2=&2': 1 ;4%0;4% 45(#27&$1(4&5 &= ()# =05%(4&5 B1$0#C 62134#5( 153 X#::145 1$&56 ()#342#%(4&5: &= 1 JY :7$45# 6243 V&&ON$ 8.A+5.4/3* u;##'15u 7#2=&2': 1 :456$# '&$#%0$12 3<51'4%: (4'# :(#7 ;< '#15: &= 1 d##'15 '0$(4:(#7 2#%02:4&5=&2'0$1l ()# 1%(01$ %&#==4%4#5(: 12# d2&&8:[ ud#((#2 d##'15u B1$0#: V&"N?> >.364/53 u;#(1%=u %&'70(#: 1 21743$< %&5B#26#5( %&5(450#3 =21%(4&5 5##3#3 ;< 2&0(45# u;#(14u (& #B1$01(# ()#%0'0$1(4B# d#(1 34:(24;0(4&5 V&"N# >.364/53 u;#(14u #B1$01(#: ()# %0'0$1(4B# d#(1 34:(24;0(4&5 =05%(4&5 1: ()# 72&;1;4$4(< ()1( 1 2153&' B1241;$#=2&' 1 34:(24;0(4&5 ?4() d#(1 7121'#(#2: u1u 153 u;u ?4$$ ;# $#:: ()15 u>u V#-VPJ?% 8.A+5.4/3* u;46;$&%8u 2#7$4%1(#: ()# %&&23451(#: &= 1 :456$# 054( %#$$ (& 64B# 1 $126#2 ;$&%8 &= 2#7#1(#3 054(: V#"J'8 8.A+5.4/3* u;4(&2:u =453: ()# (&(1$ 50';#2 &= ;4(&2:4&5:C 7142: &= &B#2$177456 34)#321$ 156$#:C 153 ()# 50';#2: &=()# =4B# 1(&': 3#=45456 #1%) ;4(&2:4&5 VONQ >.364/53

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72 "#$%&' ()*+,) -./0* 72

u;'1>u %&'70(#: ()# '1>4'0' &23#2 &= ()# d =05%(4&5: 5##3#3 =&2 #B1$01(4&5 &= W$1(#2@(<7# FW*VH&B#2$17 45(#621$: V$I&'' >.364/53 u;53#22u 4: ()# 34:(15%# ;&053 #22&2 =05%(4&5 153 3#24B1(4B#:l ()4: B#2:4&5 4'7$#'#5(: ()# &246451$153 X1B#$[: 5&2'1$4K#3 $&?#2 ;&053 7#51$(<C ()# 5&2'1$4K#3 B#2:4&5 4: 72#=#22#3 ?)#5 $&?#2;&053: 12# :'1$$ F1: ?4() ,T/ ,V. 2#:(2145(:HC ()# &246451$ 7#51$(< 4: 5##3#3 4= $126# $&?#2 ;&053:12# 72#:#5( VJ$I8 8.A+5.4/3* u;&53:u =453: ()# (&(1$ 50';#2 &= %&B1$#5( ;&53: 153 :(&2#: ()# 1(&' 50';#2: &= ()# 1(&': 3#=45456#1%) ;&53 VJ'$ 8.A+5.4/3* u;&25u %&'70(#: ()# d&25 21340: &= #1%) 1(&' =&2 0:# ?4() ()# B124&0: edaW\ :&$B1(4&5 '&3#$: VJ'$1 8.A+5.4/3* u;&25Gu %&'70(#: 3#24B1(4B#: &= ()# d&25 21344 ?4() 2#:7#%( (& 1(&'4% %&&23451(#: 153 45%2#'#5(:(&(1$ #5#26< 3#24B1(4B#: 153 B4241$ %&'7&5#5(: =&2 7&(#5(41$: 45B&$B456 d&25 21344 VJ($I8 8.A+5.4/3* u;&053:u =453: ()# %#5(#2 &= '1:: &= #1%) '&$#%0$# 153 (215:$1(#: 15< :(21< '&$#%0$#: ;1%8 45(& ()#7#24&34% ;&> V8&" 8.A+5.4/3* u;:#(u %&'70(#: ;< 3&?5?123 2#%02:4&5 ()# d =05%(4&5: 0:#3 45 ()# #B1$01(4&5 &= W$1(#2@(<7# FW*VH&B#2$17 45(#621$: V8GP#$& 8.A+5.4/3* u;:7$45#u %1$%0$1(#: ()# %&#==4%4#5(: =&2 15 5@() &23#2 d@:7$45# 1772&>4'1(4&5 V8GP#$&1 8.A+5.4/3* u;:7$45#Gu %1$%0$1(#: ()# %&#==4%4#5(: 153 3#24B1(4B# %&#==4%4#5(: =&2 15 5@() &23#2 d@:7$45#1772&>4'1(4&5 V88"&G 8.A+5.4/3* u;::(#7u (18#: 1 :456$# d0$42:%)@W(&#2 :(#7 ?4() '&54(&2456 &= $&%1$ (205%1(4&5 #22&2 (& #5:02#1%%021%< ?NP&$IN' 8.A+5.4/3*

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73 "#$%&' ()*+,) -./0* 73

u%1$#5312u 2#(025: ()# %022#5( (4'# 1: 1 :#( &= 45(#6#2 B1$0#: 2#72#:#5(456 ()# <#12C '&5()C 31<C )&02C'450(# 153 :#%&53 ?&PPN"JO 8.A+5.4/3* u%#$$1(&'u %&'7$#(#: ()# 1334(4&5 &= 1 :<''#(2< 2#$1(#3 1(&' (& 1 054( %#$$ ;< 0731(456 ()# 1(&'(<7# 153 1((1%)'#5( 1221<: ?&$"&' 8.A+5.4/3* u%#5(#2u '&B#: ()# ?#46)(#3 %#5(2&43 &= #1%) %&&23451(# :#( (& ()# &24645 302456 $#1:( :I012#::07#27&:4(4&5 ?&''J' 8.A+5.4/3* u%#22&2u 4: ()# #22&2 )153$456 2&0(45# =&2 ()# U&55&$$< :02=1%# 12#1 153 B&$0'# %&'70(1(4&5 ?>>"V 8.A+5.4/3* u%==(;u %&'70(#: ()# ;1%8?123 %&'7$#> 34:%2#(# ]&024#2 (215:=&2'C ()# ]&024#2 :<5()#:4: ?>>"V1 8.A+5.4/3* ?>>"> 8.A+5.4/3* u%==(=u %&'70(#: ()# =&2?123 %&'7$#> 34:%2#(# ]&024#2 (215:=&2'C ()# ]&024#2 151$<:4: ?>>">1 8.A+5.4/3* ?>>"# 8.A+5.4/3* u%==(4u 454(41$4K#: ()# 1221< u?:1B#u ?)4%) 4: 0:#3 45 ;&() =&2?123 153 ;1%8?123 (215:=&2':l ()#724'# =1%(&24K1(4&5 &= u5u (&6#()#2 ?4() 1 (1;0$1(4&5 &= ()# (246&5&'#(24% =05%(4&5: 12# %&'70(#3 153:(&2#3 45 u?:1B#u ?>>"#1 8.A+5.4/3* ?Y#'&' >.364/53 u%)42#2u %&'70(#: ()# %)421$4(< #22&2 153 4(: 3#24B1(4B#: ?4() 2#:7#%( (& 1(&'4% U12(#:415 %&&23451(#:1: 1 :0' ()# :I012#: &= 3#B41(4&5: &= %)421$ B&$0'#: =2&' (126#( B1$0#: ?Y%?PN8Y 8.A+5.4/3* u%)8%$1:)u 3#(#2'45#: 4= ()#2# 12# 15< 1(&' %$1:)#: ?)4%) '46)( %10:# (2&0;$# &5 :0;:#I0#5( #5#26<#B1$01(4&5 ?Y%GJP& 8.A+5.4/3*

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74 "#$%&' ()*+,) -./0* 74

u%)87&$#u 45B#2(: 1(&'4% '0$(47&$# '&'#5(: 1: 5#%#::12< 1( :4(#: ?4() %)421$ $&%1$ 2#=#2#5%# =21'#3#=454(4&5: ?Y%'#$- 8.A+5.4/3* u%)82456u (#:(: 156$#: (& ;# %&5:(2145#3 =&2 ()#42 72#:#5%# 45 :'1$$ 2456: 153 2#'&B#: %&5:(2145(:()1( 12# 2#305315( ?Y%8#S& 8.A+5.4/3* u%)8:4K#u %&'70(#: 1 '#1:02# &= &B#21$$ 6$&;1$ :(20%(021$ #>715:4&5 &2 %&'71%(4&5 =2&' ()# 50';#2&= #>%#:: 077#2 &2 $&?#2 ;&053: '1(24> B4&$1(4&5: ?Y%"'&& 8.A+5.4/3* u%)8(2##u (#:(: 1 '454'0' #5#26< :(20%(02# (& :## 4= 4( ;#$&56: (& ()# %&22#%( 72&6#54(&2 45 ()##>4:(456 '17 ?Y%QRS 8.A+5.4/3* u%)8><Ku =453: 15< 7142: &= 1(&': ?4() 43#5(4%1$ U12(#:415 %&&23451(#:C 153 7245(: 1 ?125456 '#::16# ?YJP&8%R 8.A+5.4/3* u%)&$#:8<u 0:#: 1 '&34=4#3 U)&$#:8< '#()&3 (& :&$B# ()# $45#12 :<:(#' \> o ;C 2#(025456 u>u 45 u;ulu\u 4: 1::0'#3 (& ;# 1 2#1$ :<''#(24% 7&:4(4B# 3#=454(# '1(24> ?4() 4(: 3416&51$ 153 077#2 (24156$#:(&2#3 ;< 2&?: ?#'GP$ 8.A+5.4/3* ?e%O >.364/53 u%D8'u %&'70(#: ()# %&#==4%4#5(: &= :7)#24%1$ )12'&54%: #>72#::#3 45 72&$1(# :7)#2&431$ %&&23451(#: ?P#OV&' 8.A+5.4/3* ?P#OV'-I 8.A+5.4/3* ?P#OV'J" 8.A+5.4/3* ?P#OV"J' 8.A+5.4/3* ?P#OVQRS 8.A+5.4/3* ?PJ?% 8.A+5.4/3* u%$&%8u 3#(#2'45#: #$17:#3 Ub^ (4'# 45 :#%&53: :45%# ()# :(12( &= ()# D&;

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75 "#$%&' ()*+,) -./0* 75

?P(8"&' 8.A+5.4/3* u%$0:(#2u 6#(: ()# 712(4(4&5456 &= ()# :<:(#' 45(& 62&07: 153 :(&2#: 1 $4:( &= ()# 62&07 (& ?)4%) #1%)1(&' ;#$&56: ?JP(O$ 8.A+5.4/3* u%&$0'5u (18#: ()# &==@3416&51$ X#::415 #$#'#5(: :(&2#3 1: :712:# 2&?: 153 :#(: 07 4534%#: (& 1$$&?%&$0'5 1%%#:: ?JOON$I 8.A+5.4/3* u%&''153u 0:#: ()# :(153123 ^54>@$48# 4126%a6#(126 2&0(45#: (& 6#( ()# 50';#2 153 B1$0#: &=1260'#5(: :7#%4=4#3 &5 ()# %&''153 $45# 1( 72&621' 205(4'# ?JOG'&88 8.A+5.4/3* u%&'72#::u (215:=#2: &5$< ()# 5&5@;024#3 (&24 =2&' ()# (#'7&212< (&24 1221<: (& ()# =451$ (&24 1221<: ?J$$&?" 8.A+5.4/3* u%&55#%(u :#(: 07 ()# 1((1%)#3 1(&' 1221<: :(12(456 =2&' 1 :#( &= 45(#251$ %&&23451(#: ?J$$JPPR 8.A+5.4/3* u%&55&$$<u 0:#: ()# 1$6&24()': =2&' ()# \TWac\T 72&621': &= T4%)1#$ U&55&$$< (& %&'70(# ()#151$<(4%1$ '&$#%0$12 :02=1%# 12#1 153 B&$0'# &= 1 %&$$#%(4&5 &= :7)#24%1$ 1(&':l ()0: 4( 4'7$#'#5(:]2#3 /4%)123:[ '&$#%0$12 :02=1%# 3#=454(4&5 1: 1 :#( &= 151$<(4%1$$< 3#=45#3 :7)#24%1$ 153 (&2&431$7&$<6&5: ?J$"N?" 8.A+5.4/3* u%&5(1%(u %&5:(20%(: ()# %&5(1%( :02=1%#C %<%$#: 153 %&5B#> =1%#: ?J$"'JP 8.A+5.4/3* u%&5(2&$u 6#(: 454(41$ B1$0#: =&2 7121'#(#2: ()1( 3#(#2'45# ()# &0(70( :(<$# 153 45=&2'1(4&5 $#B#$72&B43#3 ;< *+,-./ ?JJ'I8 8.A+5.4/3* u%&&23:u %&5B#2(: ()# ()2## 7245%471$ #46#5B1$0#:aB#%(&2: =2&' ()# '#(24% '1(24> 45(& 1(&'4%%&&23451(#:C 153 %1$$: 1 2&0(45# (& %&'70(# ()# 2': 3#B41(4&5 =2&' ()# ;&053: ?J''&PN"& G+5X+;C u%&22#$1(#u %&'70(#: ()# (4'# %&22#$1(4&5 =05%(4&5 &= :&'# 0:#2@:077$4#3 72&7#2(< =2&' 4534B4301$:517:)&( =21'#: (18#5 =2&' 1 '&$#%0$12 3<51'4%: &2 &()#2 (21D#%(&2< ?'&N"&eZO 8.A+5.4/3*

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76 "#$%&' ()*+,) -./0* 76

?'&N"&8&'Z&' 8.A+5.4/3* ?'&N"&8R8"&O 8.A+5.4/3* ?'&N"&(GIN"& 8.A+5.4/3* ?'R8"NP G+5X+;C u%2<:(1$u 4: 1 0(4$4(< 72&621' ?)4%) %&5B#2(: ;#(?##5 =21%(4&51$ 153 U12(#:415 %&&23451(#:C 153 %156#5#21(# =0$$ 054( %#$$: =2&' 1:<''#(24% 054(: ?("J>>8 8.A+5.4/3* u%0(&==:u 454(41$4K#: 153 :(&2#: :7)#24%1$ #5#26< %0(&== 34:(15%# ?453&?:C X#::415 #$#'#5( 153 .?1$3:0' %0(&==:C 153 ()# 7142?4:# 5#46);&2 6#5#21(4&5 '#()&3 ?R"8R 8.A+5.4/3* u%<(:<u :&$B#: 1 :<:(#' &= $45#12 #I01(4&5: =&2 1 %<%$4%1$$< (243416&51$C :<''#(24%C 7&:4(4B# 3#=454(#'1(24> ?R"8RG 8.A+5.4/3* u%<(:<7u =453: ()# U)&$#:8< =1%(&2: &= 1 %<%$4%1$$< (243416&51$ :<''#(24%C 7&:4(4B# 3#=454(# '1(24>64B#5 ;< (?& B#%(&2: ?R"8R8 8.A+5.4/3* u%<(:<:u :&$B#: 1 %<%$4%1$$< (243416&51$ $45#12 :<:(#' 64B#5 ()# U)&$#:8< =1%(&2: I1ID >.364/53 u3G3Ju 4: 1 0(4$4(< =05%(4&5 0:#3 45 %&'70(1(4&5 &= ()# 2#1%(4&5 =4#$3 2#%02:4B# :0''1(4&5 #$#'#5(: I&P&"& 8.A+5.4/3* u3#$#(#u 2#'&B#: 1 :7#%4=4#3 1(&' =2&' ()# U12(#:415 %&&23451(#: $4:( 153 :)4=(: ()# 2#'145456 1(&': I&G"Y >.364/53 I&8"'JReZO 8.A+5.4/3* I&8"'JR8&'Z&' 8.A+5.4/3* I>"OJI 8.A+5.4/3* u3=('&3u %&'70(#: ()# '&30$0: &= ()# 34:%2#(# ]&024#2 (215:=&2' &= u;:1221<uC :(&2456 4( 45(&u;:'&3u

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77 "#$%&' ()*+,) -./0* 77

I#N-K 8.A+5.4/3* u3416Iu 4: 1 '1(24> 3416&51$4K1(4&5 2&0(45# ?)4%) 4: 3#24B#3 =2&' ()# %$1::4%1$ 64B#5C )&0:#%C 153#46#5 1$6&24()': ?4() :#B#21$ '&34=4%1(4&5: (& 45%2#1:# ()# #==4%4#5%< 153 1%%021%< I#>>&K 8.A+5.4/3* u34==#Iu 7#2=&2': ()# 50'#24%1$ 45(#621(4&5 &= 15 &234512< 34==#2#5(41$ #I01(4&5 0:456 15 1317(4B#:(#7:4K# '#()&3 (& :&$B# ()# %&22#:7&53456 %&07$#3 =42:(@&23#2 #I01(4&5: &= ()# 6#5#21$ =&2' 3<4a3>o =F>C<GCAAAC<5H =&2 <4 o <GCAAAC<5 I#>>(8& G+5X+;C u34==0:#u =453: ()# :#$=@34==0:4&5 %&5:(15( =&2 1 )&'&6#5#&0: $4I043 B41 ()# .45:(#45 2#$1(4&5 =2&' 1:#( &= :(&2#3 '&$#%0$12 3<51'4%: =21'#:l '&$#%0$12 %#5(#2: &= '1:: 12# 05=&$3#3 153 '#15 :I012#334:7$1%#'#5(: 12# %&'70(#3 B#2:0: (4'# :#7121(4&5 I#8"D >.364/53 u34:(Ju =453: ()# 34:(15%# :I012#3 ;#(?##5 (?& 7&45(:l 0:#3 1: 1 :#2B4%# 2&0(45# ;< ()# U&55&$$<:02=1%# 12#1 153 B&$0'# %&'70(1(4&5 I#8"-&JO G+5X+;C u34:(6#&'u 0:#: 1 '#(24% '1(24> 34:(15%# 6#&'#(2< 72&%#302# (& 6#5#21(# :(20%(02#: ?4() 45(#27&45(34:(15%#: ()1( $4# ?4()45 :7#%4=4#3 ;&053:C ?4() %)421$ %#5(#2: ()1( '145(145 %)421$4(<C 153 ?4()(&2:4&51$ 156$#: 2#:(2145#3 (& 3#:42#3 B1$0#:l ()# 0:#2 1$:& )1: ()# 1;4$4(< (& 45(#21%(4B#$< 45:7#%( 1531$(#2 ()# (24156$# :'&&()#3 ;&053: '1(24> 724&2 (& #';#33456 IOI(OG 8.A+5.4/3* u3'30'7u 70(: ()# 34:(15%# '1(24> &= ()# =451$ :(20%(02# 45(& ()# 077#2 )1$= &= 1 '1(24>C ()# 34:(15%#&= #1%) 1(&' (& ()# %#5(2&43 &5 ()# 3416&51$C 153 ()# 4534B4301$ (#2': &= ()# ;&053: #22&2: 45(& ()#$&?#2 )1$= &= ()# '1(24> IJ?(O&$" G+5X+;C u3&%0'#5(u 6#5#21(#: 1 =&2'1((#3 3#:%247(4&5 &= 1$$ ()# %&3# '&30$#: &2 %&''&5 ;$&%8:C 15 453#> &=2&0(45#: %1$$#3 ;< #1%) :&02%# %&3# '&30$#C 1 $4:(456 &= 1$$ B1$43 8#<?&23:C 1 $4:( &= 45%$03# =4$#3#7#53#5%4#: 1: 5##3#3 ;< 1 ^54>@:(<$# T18#=4$#C &2 1 =&2'1((#3 =&2%# =4#$3 7121'#(#2 :#( :0''12< IJ" >.364/53 u3&(u =453: ()# 3&( 72&30%( &= (?& B#%(&2: I8"ON" 8.A+5.4/3*

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78 "#$%&' ()*+,) -./0* 78

u3:('1(u :#$#%(: 1 34:(15%# '1(24> %&5(145456 B1$0#: ;#(?##5 ()# 72#B4&0:$< :'&&()#3 077#2 153$&?#2 ;&053:l ()# 34:(15%# B1$0#: 12# %)&:#5 =2&' 054=&2' 34:(24;0(4&5:C 45 1 (24156$# %&22#$1(#3=1:)4&5C &2 0:456 2153&' 712(41$ '#(24K1(4&5 IR$NO#? G+5X+;C u3<51'4%u %&'70(#: 1 '&$#%0$12 3<51'4%: (21D#%(&2< 45 15< &= :#B#21$ :(1(4:(4%1$ '#%)154%1$#5:#';$#: ?4() &7(4&51$ 7#24&34% ;&053124#: 153 &7(4&51$ %&07$456 (& (#'7#21(02# 153 72#::02#;1(): 1$(#251(4B#$< 1 :(&%)1:(4% 3<51'4%: (21D#%(&2< %15 ;# 6#5#21(#3 &N$-N$- 8.A+5.4/3* u#156156u %1$%0$1(#: ()# 156$#@156$# 7&(#5(41$ #5#26< &N$-N$-1 8.A+5.4/3* u#156156Gu %1$%0$1(#: ()# 156$#@156$# 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: &N$-N$-D 8.A+5.4/3* u#156156Ju %1$%0$1(#: ()# 156$#@156$# 7&(#5(41$ #5#26< :#%&53 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: 0:456 =454(# 34==#2#5%# '#()&3: &N$-N$-DN 8.A+5.4/3* u#156156J1u %1$%0$1(#: ()# 156$#@156$# =42:( 3#24B1(4B#: =&2 1 :456$# 45(#21%(4&5 ?4() 2#:7#%( (&U12(#:415 %&&23451(#:l 0:#3 45 %&'70(1(4&5 &= =454(# 34==#2#5%# :#%&53 3#24B1(4B#: &N$-N$-L 8.A+5.4/3* u#156156Lu %1$%0$1(#: ()# 156$#@156$# 7&(#5(41$ #5#26<l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &N$-P& 8.A+5.4/3* u#156$#u %1$%0$1(#: ()# 156$# ;#53456 7&(#5(41$ #5#26<l 72&D#%(#3 45@7$15# 156$#: 1( (246&51$ %#5(#2:&2 ]&024#2 156$# ;#53456 (#2': 12# &7(4&51$$< 0:#3 &N$-P&1 8.A+5.4/3* u#156$#Gu %1$%0$1(#: ()# 156$# ;#53456 7&(#5(41$ #5#26< 153 ()# =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#:l 72&D#%(#3 45@7$15# 156$#: 1( (246&51$ %#5(#2: &2 ]&024#2 156$# ;#53456 (#2':12# &7(4&51$$< 0:#3 &N$-P&D 8.A+5.4/3* u#156$#Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# 156$# ;#53456 #5#26< =&2 1 :456$# 1(&' 0:456 1 '4>(02#&= 151$<(4%1$ 153 =454(# 34==#2#5%# '#()&3:l 72&D#%(#3 45@7$15# 156$#: 1( (246&51$ %#5(#2: &2 ]&024#2156$# ;#53456 (#2': 12# &7(4&51$$< 0:#3

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79 "#$%&' ()*+,) -./0* 79

&N$-P&DN 8.A+5.4/3* u#156$#J1u %1$%0$1(#: ;&53 156$# ;#53456 7&(#5(41$ #5#26< :#%&53 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &N$-P&DV 8.A+5.4/3* u#156$#J;u %&'70(#: 72&D#%(#3 45@7$15# ;#53456 =42:( 3#24B1(4B#: =&2 1 :456$# 156$# ?4() 2#:7#%( (&U12(#:415 %&&23451(#:l 0:#3 45 %&'70(1(4&5 &= =454(# 34==#2#5%# :#%&53 3#24B1(4B#: &N$-P&L 8.A+5.4/3* u#156$#Lu %1$%0$1(#: ()# 156$# ;#53456 7&(#5(41$ #5#26<C 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&':l72&D#%(#3 45@7$15# 156$#: 1( (246&51$ %#5(#2: &2 ]&024#2 156$# ;#53456 (#2': 12# &7(4&51$$< 0:#3 &VJ$I 8.A+5.4/3* u#;&53u %1$%0$1(#: ()# ;&53 :(2#(%)456 #5#26< &VJ$I1 8.A+5.4/3* u#;&53Gu %1$%0$1(#: ()# ;&53 :(2#(%)456 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: &VJ$ID 8.A+5.4/3* u#;&53Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# ;&53 :(2#(%)456 #5#26< =&2 1 :456$# 1(&' 1( 1 (4'# &VJ$IL 8.A+5.4/3* u#;&53Lu %1$%0$1(#: ()# ;&53 :(2#(%)456 #5#26<l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &V(?% 8.A+5.4/3* u#;0%8u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< &V(?%TN 8.A+5.4/3* u#;0%8S1u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 0:456 1 7142?4:# 3&0;$# $&&7 &V(?%TV 8.A+5.4/3* u#;0%8S;u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 0:456 ()# '#()&3 &= $46)(: (&$&%1(# 5#46);&2456 1(&': &V(?%T? 8.A+5.4/3* u#;0%8S%u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< B41 1 e10::415 1772&>4'1(4&5 =&27&(#5(41$ #5#26< :'&&()456

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80 "#$%&' ()*+,) -./0* 80

&V(?%1 8.A+5.4/3* u#;0%8Gu %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%((& U12(#:415 %&&23451(#: &V(?%1N 8.A+5.4/3* u#;0%8G1u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: 0:456 17142?4:# 3&0;$# $&&7 &V(?%1V 8.A+5.4/3* u#;0%8G;u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: 0:456 ()#'#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &V(?%1? 8.A+5.4/3* u#;0%8G%u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: B41 1e10::415 1772&>4'1(4&5 =&2 7&(#5(41$ #5#26< :'&&()456 &V(?%D 8.A+5.4/3* u#;0%8Ju %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: :#%&53 3#24B1(4B#: =&2 1 :456$# 1(&' 1( 1(4'# &V(?%DN 8.A+5.4/3* u#;0%8J1u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: :#%&53 3#24B1(4B#: 0:456 1 3&0;$# $&&7&B#2 2#$#B15( 1(&' 7142: &V(?%DV 8.A+5.4/3* u#;0%8J;u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: :#%&53 3#24B1(4B#: B41 1 e10::4151772&>4'1(4&5 =&2 0:# ?4() 7&(#5(41$ #5#26< :'&&()456 &V(?%L 8.A+5.4/3* u#;0%8Lu %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 153 712(4(4&5: ()# #5#26< 1'&56()# 1(&': &V(?%LN 8.A+5.4/3* u#;0%8L1u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 153 712(4(4&5: ()# #5#26< 1'&56()# 1(&': 0:456 1 7142?4:# 3&0;$# $&&7 &V(?%LV 8.A+5.4/3* u#;0%8L;u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< 153 1$:& 712(4(4&5: ()# #5#26<1'&56 ()# 1(&': 0:456 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&':

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81 "#$%&' ()*+,) -./0* 81

&V(?%L? 8.A+5.4/3* u#;0%8L%u %1$%0$1(#: ()# d0%8456)1' #>7@O B15 3#2 "11$: #5#26< B41 1 e10::415 1772&>4'1(4&5 =&27&(#5(41$ #5#26< :'&&()456 &?YN'-& 8.A+5.4/3* u#%)126#u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< &?YN'-&TN 8.A+5.4/3* u#%)126#S1u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 0:456 1 7142?4:# 3&0;$# $&&7 &?YN'-&TV 8.A+5.4/3* u#%)126#S;u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 0:456 ()# '#()&3 &= $46)(: (& $&%1(#5#46);&2456 1(&': &?YN'-&T? 8.A+5.4/3* u#%)126#S%u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< =&2 0:# ?4() 7&(#5(41$ :'&&()456'#()&3: &?YN'-&TI 8.A+5.4/3* u#%)126#S3u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 0:456 1 712(4%$# '#:) .?1$3 :0''1(4&5 &?YN'-&T& 8.A+5.4/3* u#%)126#S#u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 0:456 1 712(4%$# '#:) .?1$3 :0''1(4&5153 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &?YN'-&1 8.A+5.4/3* u#%)126#Gu %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &?YN'-&1N 8.A+5.4/3* u#%)126#G1u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: 0:456 1 7142?4:# 3&0;$# $&&7 &?YN'-&1V 8.A+5.4/3* u#%)126#G;u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: 0:456 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &?YN'-&1? 8.A+5.4/3*

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82 "#$%&' ()*+,) -./0* 82

u#%)126#G%u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: =&2 0:# ?4() 7&(#5(41$ :'&&()456 '#()&3: &?YN'-&1I 8.A+5.4/3* u#%)126#G3u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: 0:456 1 712(4%$# '#:) .?1$3 :0''1(4&5 &?YN'-&D 8.A+5.4/3* u#%)126#Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# %)126#@%)126# 45(#21%(4&5 #5#26< =&2 1 :456$# 1(&' &?YN'-&DN 8.A+5.4/3* u#%)126#J1u %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# %)126#@%)126# 45(#21%(4&5 #5#26< =&2 1 :456$# 1(&'0:456 1 7142?4:# 3&0;$# $&&7 &?YN'-&DV 8.A+5.4/3* u#%)126#J;u %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# %)126#@%)126# 45(#21%(4&5 #5#26< =&2 1 :456$# 1(&'=&2 0:# ?4() 7&(#5(41$ :'&&()456 '#()&3: &?YN'-&D? 8.A+5.4/3* u#%)126#J%u %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# %)126#@%)126# 45(#21%(4&5 #5#26< =&2 1 :456$# 1(&'0:456 1 712(4%$# '#:) .?1$3 :0''1(4&5 &?YN'-&L 8.A+5.4/3* u#%)126#Lu %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': &?YN'-&LN 8.A+5.4/3* u#%)126#L1u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': 0:456 1 7142?4:# 3&0;$# $&&7 &?YN'-&LV 8.A+5.4/3* u#%)126#L;u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': 0:456 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &?YN'-&L? 8.A+5.4/3* u#%)126#L%u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': =&2 0:# ?4() 7&(#5(41$ :'&&()456 '#()&3: &?YN'-&LI 8.A+5.4/3*

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83 "#$%&' ()*+,) -./0* 83

u#%)126#L3u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': 0:456 1 712(4%$# '#:) .?1$3 :0''1(4&5 &?YN'-&L& 8.A+5.4/3* u#%)126#L#u %1$%0$1(#: ()# %)126#@%)126# 45(#21%(4&5 #5#26< 153 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': 0:456 1 712(4%$# '#:) .?1$3 :0''1(4&5 153 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &?Y-IGP 8.A+5.4/3* u#%)637$u %1$%0$1(#: ()# %)126#@347&$# 45(#21%(4&5 #5#26< &?Y-IGP1 8.A+5.4/3* u#%)637$Gu %1$%0$1(#: ()# %)126#@347&$# 45(#21%(4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &?Y-IGPD 8.A+5.4/3* u#%)637$Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# %)126#@347&$# 45(#21%(4&5 #5#26< =&2 1 :456$# 1(&' &?Y-IGPL 8.A+5.4/3* u#%)637$Lu %1$%0$1(#: ()# %)126#@347&$# 45(#21%(4&5 #5#26<l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': &I#GJP& 8.A+5.4/3* u#347&$#u %1$%0$1(#: ()# 347&$#@347&$# 45(#21%(4&5 #5#26< &I#GJP&1 8.A+5.4/3* u#347&$#Gu %1$%0$1(#: ()# 347&$#@347&$# 45(#21%(4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &I#GJP&D 8.A+5.4/3* u#347&$#Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# 347&$#@347&$# 45(#21%(4&5 #5#26< =&2 1 :456$# 1(&' &I#GJP&L 8.A+5.4/3* u#347&$#Lu %1$%0$1(#: ()# 347&$#@347&$# 45(#21%(4&5 #5#26<l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': &-N(88 8.A+5.4/3* u#610::u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26<

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84 "#$%&' ()*+,) -./0* 84

&-N(88TN 8.A+5.4/3* u#610::S1u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26< 0:456 1 7142?4:#3&0;$# $&&7 &-N(88TV 8.A+5.4/3* u#610::S;u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26< =&2 0:# ?4() 7&(#5(41$#5#26< :'&&()456 &-N(881 8.A+5.4/3* u#610::Gu %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26< 153 4(: =42:(3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415 %&&23451(#: &-N(881N 8.A+5.4/3* u#610::G1u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26< 153 4(: =42:(3#24B1(4B#: 0:456 1 7142?4:# 3&0;$# $&&7 &-N(881V 8.A+5.4/3* u#610::G;u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26< 153 4(: =42:(3#24B1(4B#: =&2 0:# ?4() :(&7)1( 7&(#5(41$ #5#26< :'&&()456 &-N(88D 8.A+5.4/3* u#610::Ju %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: :#%&53 3#24B1(4B#: =&2 1 :456$# 1(&' 1( 1(4'# &-N(88DN 8.A+5.4/3* u#610::J1u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: :#%&53 3#24B1(4B#: 0:456 1 7142?4:#3&0;$# $&&7 &-N(88DV 8.A+5.4/3* u#610::J;u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: :#%&53 3#24B1(4B#: =&2 :(&7)1( 7&(#5(41$#5#26< :'&&()456 &-N(88L 8.A+5.4/3* u#610::Lu %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26< 153 712(4(4&5: ()##5#26< 1'&56 ()# 1(&': &-N(88LN 8.A+5.4/3* u#610::L1u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26< 153 712(4(4&5: ()##5#26< 1'&56 ()# 1(&': 0:456 1 7142?4:# 3&0;$# $&&7

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85 "#$%&' ()*+,) -./0* 85

&-N(88LV 8.A+5.4/3* u#610::L;u %1$%0$1(#: ()# e10::415 #>715:4&5 B15 3#2 "11$: 45(#21%(4&5 #5#26< 153 712(4(4&5: ()##5#26< 1'&56 ()# 1(&': 0:456 1 7142?4:# 3&0;$# $&&7 &-V8NTN 8.A+5.4/3* u#6;:1S1u %1$%0$1(#: ()# 6#5#21$4K#3 d&25 7&$124K1(4&5 #5#26< =&2 ()# edaW\ :&$B1(4&5 '&3#$: &-V8NTV 8.A+5.4/3* u#6;:1S;u %1$%0$1(#: ()# 6#5#21$4K#3 d&25 7&$124K1(4&5 #5#26< =&2 ()# edaW\ :&$B1(4&5 '&3#$: =&20:# ?4() 7&(#5(41$ :'&&()456 '#()&3: B41 151$&6< (& ()# :'&&()456 &= U&0$&';[: $1? &-V8N1N 8.A+5.4/3* u#6;:1G1u %1$%0$1(#: ()# 6#5#21$4K#3 d&25 #5#26< 153 =42:( 3#24B1(4B#: &= ()# edaW\ :&$B1(4&5 '&3#$: &-V8N1V 8.A+5.4/3* u#6;:1G;u %1$%0$1(#: ()# 6#5#21$4K#3 d&25 #5#26< 153 =42:( 3#24B1(4B#: &= ()# edaW\ :&$B1(4&5 '&3#$:=&2 0:# ?4() 7&(#5(41$ :'&&()456 '#()&3: &-V8NDN 8.A+5.4/3* u#6;:1J1u %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# 6#5#21$4K#3 d&25 #5#26< (#2' =&2 ()# edaW\ :&$B1(4&5'&3#$: &-V8NDV 8.A+5.4/3* u#6;:1J;u %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# 6#5#21$4K#3 d&25 #5#26< (#2' =&2 ()# edaW\ :&$B1(4&5'&3#$: =&2 0:# ?4() 7&(#5(41$ :'&&()456 '#()&3: &-V8NLN 8.A+5.4/3* u#6;:1L1u %1$%0$1(#: ()# 6#5#21$4K#3 d&25 #5#26< (#2' =&2 ()# edaW\ :&$B1(4&5 '&3#$:l 1$:&712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &-V8NLV 8.A+5.4/3* u#6;:1L;u %1$%0$1(#: ()# 6#5#21$4K#3 d&25 7&$124K1(4&5 #5#26< =&2 ()# edaW\ :&$B1(4&5 '&3#$: =&20:# ?4() 7&(#5(41$ :'&&()456 '#()&3: B41 151$&6< (& ()# :'&&()456 &= U&0$&';[: $1?l 1$:& 712(4(4&5:()# #5#26< 1'&56 ()# 1(&': &-&JO 8.A+5.4/3* u#6#&'u %1$%0$1(#: ()# #5#26< 30# (& 2#:(2145(: &5 7&:4(4&5:C 34:(15%#:C 156$#: 153 (&2:4&5: 1: ?#$$ 1:e10::415 ;1:45 153 :7)#24%1$ 32&7$#( 2#:(2145(: &-&JO1 8.A+5.4/3*

Page 87: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

86 "#$%&' ()*+,) -./0* 86

u#6#&'Gu %1$%0$1(#: ()# #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415 %&&23451(#: 30# (&2#:(2145(: &5 7&:4(4&5:C 34:(15%#:C 156$#: 153 (&2:4&5: 1: ?#$$ 1: e10::415 ;1:45 153 :7)#24%1$ 32&7$#(2#:(2145(: &-&JOD 8.A+5.4/3* u#6#&'Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= 2#:(2145(: &5 7&:4(4&5:C 34:(15%#:C 156$#: 153 (&2:4&5: 1:?#$$ 1: e10::415 ;1:45 153 :7)#24%1$ 32&7$#( 2#:(2145(: &-&JOL 8.A+5.4/3* u#6#&'Lu %1$%0$1(#: ()# #5#26< 30# (& 2#:(2145(: &5 7&:4(4&5:C 34:(15%#:C 156$#: 153 (&2:4&5: 1: ?#$$1: e10::415 ;1:45 153 32&7$#( 2#:(2145(:l 1$:& 712(4(4&5: #5#26< 1'&56 ()# 1(&': &YNP 8.A+5.4/3* u#)1$u %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< &YNPTN 8.A+5.4/3* u#)1$S1u %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< 0:456 1 7142?4:# 3&0;$# $&&7 &YNPTV 8.A+5.4/3* u#)1$S1u %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< 0:456 ()# '#()&3 &= $46)(: (& $&%1(#5#46);&2456 1(&': &YNP1 8.A+5.4/3* u#)1$Gu %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &YNP1N 8.A+5.4/3* u#)1$G1u %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: 0:456 1 7142?4:# 3&0;$# $&&7 &YNP1V 8.A+5.4/3* u#)1$G;u %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: 0:456 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &YNPD 8.A+5.4/3* u#)1$Ju %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: :#%&53 3#24B1(4B#: =&2 1 :456$# 1(&' 1( 1 (4'# &YNPL 8.A+5.4/3*

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87 "#$%&' ()*+,) -./0* 87

u#)1$Lu %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< 153 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': &YNPLN 8.A+5.4/3* u#)1$L1u %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< 153 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': 0:456 1 7142?4:# 3&0;$# $&&7 &YNPLV 8.A+5.4/3* u#)1$L;u %1$%0$1(#: ()# ;0==#2#3 GM@P B15 3#2 "11$: #5#26< 153 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': 0:456 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &#-&$ 8.A+5.4/3* u#46#5u 0:#: ()# 7&?#2 '#()&3 (& %&'70(# ()# $126#:( #46#5B1$0#: 153 #46#5B#%(&2: &= ()# '#(24%'1(24>C uB1$43u 4: :#( (20# 4= ()# =42:( ()2## #46#5B1$0#: 12# 7&:4(4B# &#-&$'-I 8.A+5.4/3* &#-&$'J" 8.A+5.4/3* &#-&$'J" 8.A+5.4/3* &#-&$"J' 8.A+5.4/3* &#-&$QRS 8.A+5.4/3* &#OG'JG 8.A+5.4/3* u#4'72&7u %1$%0$1(#: ()# 4'72&7#2 34)#321$ 7&(#5(41$ #5#26< &#OG'JG1 8.A+5.4/3* u#4'72&7Gu %1$%0$1(#: 4'72&7#2 34)#321$ #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: &#OG'JGD 8.A+5.4/3* u#4'72&7Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# 4'72&7#2 34)#321$ 156$# #5#26< =&2 1 :456$# 1(&' &#OG'JGL 8.A+5.4/3* u#4'72&7Lu %1$%0$1(#: ()# 4'72&7#2 34)#321$ 7&(#5(41$ #5#26<l 1$:& 712(4(4&5: ()# #5#26< (#2':1'&56 ()# 1(&': &#OG"J' 8.A+5.4/3* u#4'7(&2u %1$%0$1(#: ()# 4'72&7#2 (&2:4&5 7&(#5(41$ #5#26<

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88 "#$%&' ()*+,) -./0* 88

&#OG"J'1 8.A+5.4/3* u#4'7(&2Gu %1$%0$1(#: 4'72&7#2 (&2:4&5 #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: &#OG"J'D 8.A+5.4/3* u#4'7(&2Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# 4'72&7#2 (&2:4&5 #5#26< =&2 1 :456$# 1(&' &#OG"J'L 8.A+5.4/3* u#4'7(&2Lu %1$%0$1(#: ()# 4'72&7#2 (&2:4&5 7&(#5(41$ #5#26<l 1$:& 712(4(4&5: ()# #5#26< (#2': 1'&56()# 1(&': &Pe 8.A+5.4/3* u#$Du %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< &PeTN 8.A+5.4/3* u#$DS1u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 0:456 1 7142?4:# 3&0;$# $&&7 &PeTV 8.A+5.4/3* u#$DS;u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 0:456 ()# '#()&3 &= $46)(: (& $&%1(#5#46);&2456 1(&': &PeT? 8.A+5.4/3* u#$DS%u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< B41 1 e10::415 1772&>4'1(4&5 =&27&(#5(41$ #5#26< :'&&()456 &PeTI 8.A+5.4/3* u#$DS3u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< =&2 0:# ?4() :(&7)1( 7&(#5(41$ #5#26<:'&&()456 &Pe1 8.A+5.4/3* u#$DGu %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &Pe1N 8.A+5.4/3* u#$DG1u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: 0:456 17142?4:# 3&0;$# $&&7 &Pe1V 8.A+5.4/3*

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89 "#$%&' ()*+,) -./0* 89

u#$DG;u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: 0:456 ()#'#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &Pe1? 8.A+5.4/3* u#$DG%u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 4(: =42:( 3#24B1(4B#: B41 1e10::415 1772&>4'1(4&5 =&2 7&(#5(41$ #5#26< :'&&()456 &Pe1I 8.A+5.4/3* u#$DG3u %1$%0$1(#: ()# B15 3#2 "11$: 45(#21%(4&5 #5#26< 153 4(: =42:( 3#24B1(4B#: =&2 0:# ?4() :(&7)1(7&(#5(41$ #5#26< :'&&()456 &PeD 8.A+5.4/3* u#$DJu %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: :#%&53 3#24B1(4B#: =&2 1 :456$# 1(&' 1( 1 (4'# &PeDN 8.A+5.4/3* u#$DJ1u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: :#%&53 3#24B1(4B#: 0:456 1 3&0;$# $&&7 &B#22#$#B15( 1(&' 7142: &PeDV 8.A+5.4/3* u#$DJ;u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: :#%&53 3#24B1(4B#: B41 1 e10::4151772&>4'1(4&5 =&2 0:# ?4() 7&(#5(41$ #5#26< :'&&()456 &PeD? 8.A+5.4/3* u#$DJ%u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: :#%&53 3#24B1(4B#: =&2 0:# ?4() :(&7)1(7&(#5(41$ #5#26< :'&&()456 &PeL 8.A+5.4/3* u#$DLu %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 1$:& 712(4(4&5: ()# #5#26< 1'&56()# 1(&': &PeLN 8.A+5.4/3* u#$DL1u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 1$:& 712(4(4&5: ()# #5#26< 1'&56()# 1(&': 0:456 1 7142?4:# 3&0;$# $&&7 &PeLV 8.A+5.4/3* u#$DL;u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 1$:& 712(4(4&5: ()# #5#26< 1'&56()# 1(&': 0:456 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &PeL? 8.A+5.4/3*

Page 91: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

90 "#$%&' ()*+,) -./0* 90

u#$DL%u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 1$:& 712(4(4&5: ()# #5#26< 1'&56()# 1(&': B41 1 e10::415 1772&>4'1(4&5 =&2 7&(#5(41$ #5#26< :'&&()456 &PeLI 8.A+5.4/3* u#$DL3u %1$%0$1(#: ()# _#55123@g&5#: O@GJ B15 3#2 "11$: #5#26< 153 1$:& 712(4(4&5: ()# #5#26< 1'&56()# 1(&': =&2 0:# ?4() :(&7)1( 7&(#5(41$ #5#26< :'&&()456 &OV&I 8.A+5.4/3* u#';#3u 4: 1 34:(15%# 6#&'#(2< 2&0(45# 71((#25#3 1=(#2 ()# 43#1: &= e&23&5 U2477#5C +2?45 -05(K 153*4' X1B#$l 4( (18#: 1: 4570( 1 :#( &= 077#2 153 $&?#2 ;&053: &5 ()# 45(#27&45( 34:(15%#:C %)421$4(<2#:(2145(: 153 (&2:4&51$ 2#:(2145(:C 153 1((#'7(: (& 6#5#21(# 1 :#( &= %&&23451(#: ()1( :1(4:=< ()# 4570(;&053: 153 2#:(2145(: &O&"NP 8.A+5.4/3* u#'#(1$u %1$%0$1(#: ()# (215:4(4&5 '#(1$ $46153 =4#$3 #5#26< &O&"NP1 8.A+5.4/3* u#'#(1$Gu %1$%0$1(#: ()# (215:4(4&5 '#(1$ $46153 =4#$3 #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &O&"NPD 8.A+5.4/3* u#'#(1$Ju %1$%0$1(#: ()# (215:4(4&5 '#(1$ $46153 =4#$3 :#%&53 3#24B1(4B#: =&2 1 :456$# 1(&' 1( 1 (4'# &O&"NPL 8.A+5.4/3* u#'#(1$Lu %1$%0$1(#: ()# (215:4(4&5 '#(1$ $46153 =4#$3 #5#26< 153 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': &OOLYV 8.A+5.4/3* u#''L);u %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26< &OOLYVTN 8.A+5.4/3* u#''L);S1u %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26< 0:456 1 7142?4:# 3&0;$# $&&7 &OOLYVTV 8.A+5.4/3* u#''L);S;u %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26< 0:456 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &OOLYV1 8.A+5.4/3*

Page 92: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

91 "#$%&' ()*+,) -./0* 91

u#''L);Gu %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26< ?4() 2#:7#%( (& U12(#:415 %&&23451(#: &OOLYV1N 8.A+5.4/3* u#''L);G1u %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26< ?4() 2#:7#%( (& U12(#:415 %&&23451(#: 0:456 1 7142?4:# 3&0;$# $&&7 &OOLYV1V 8.A+5.4/3* u#''L);G;u %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26< ?4() 2#:7#%( (& U12(#:415 %&&23451(#: 0:456 ()# '#()&3 &= $46)(: (& $&%1(#5#46);&2456 1(&': &OOLYVD 8.A+5.4/3* u#''L);Ju %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 :#%&53 3#24B1(4B#: =&2 1 :456$# 1(&' 1( 1 (4'# &OOLYVL 8.A+5.4/3* u#''L);Lu %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26<C 153 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &OOLYVLN 8.A+5.4/3* u#''L);Lu %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26<C 153 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &OOLYVLV 8.A+5.4/3* u#''L);L;u %1$%0$1(#: ()# TTL #>7@O B15 3#2 "11$: 153 342#%(4&51$ %)126# (215:=#2 )<32&6#5;&53456 #5#26< 0:456 ()# '#()&3 &= $46)(: (& $&%1(# 5#46);&2456 1(&': &OGJP& 8.A+5.4/3* u#'7&$#u %1$%0$1(#: ()# #$#%(2&:(1(4% #5#26< 30# (& 1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$#7&$124K1;4$4(< &OGJP&TN 8.A+5.4/3* u#'7&$#S1u %1$%0$1(#: ()# #$#%(2&:(1(4% #5#26< 30# (& 1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$#7&$124K1;4$4(< 0:456 1 7142?4:# 3&0;$# $&&7 &OGJP&TV 8.A+5.4/3* u#'7&$#S;u %1$%0$1(#: ()# #$#%(2&:(1(4% #5#26< 30# (& 1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$#7&$124K1;4$4(< 0:456 1 2#60$12 .?1$3 :0''1(4&5

Page 93: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

92 "#$%&' ()*+,) -./0* 92

&OGJP&1 8.A+5.4/3* u#'7&$#Gu %1$%0$1(#: ()# '0$(47&$# 153 347&$# 7&$124K1(4&5 #5#26< 153 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &OGJP&1N 8.A+5.4/3* u#'7&$#G1u %1$%0$1(#: ()# '0$(47&$# 153 347&$# 7&$124K1(4&5 #5#26< 153 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: 0:456 1 7142?4:# 3&0;$# $&&7 &OGJP&1V 8.A+5.4/3* u#'7&$#G;u %1$%0$1(#: ()# '0$(47&$# 153 347&$# 7&$124K1(4&5 #5#26< 153 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: 0:456 1 2#60$12 .?1$3 :0''1(4&5 &OGJP&D 8.A+5.4/3* u#'7&$#Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# '0$(47&$# 153 347&$# 7&$124K1(4&5 #5#26< =&2 1 :456$#1(&' 1( 1 (4'# &OGJP&DN 8.A+5.4/3* u#'7&$#J1u %&'70(#: '0$(47&$# 153 347&$# 7&$124K1(4&5 =42:( 3#24B1(4B#: =&2 1 :456$# 1(&' ?4()2#:7#%( (& U12(#:415 %&&23451(#:l 0:#3 (& 6#( =454(# 34==#2#5%# :#%&53 3#24B1(4B#: &OGJP&L 8.A+5.4/3* u#'7&$#Lu %1$%0$1(#: ()# #$#%(2&:(1(4% #5#26< 30# (& 1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$#7&$124K1;4$4(<C 153 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &OGJP&LN 8.A+5.4/3* u#'7&$#L1u %1$%0$1(#: ()# #$#%(2&:(1(4% #5#26< 30# (& 1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$#7&$124K1;4$4(<C 153 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': 0:456 1 3&0;$# $&&7 &OGJP&LV 8.A+5.4/3* u#'7&$#L;u %1$%0$1(#: ()# #$#%(2&:(1(4% #5#26< 30# (& 1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$#7&$124K1;4$4(<C 153 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': 0:456 1 2#60$12 .?1$3 :0''1(4&5 &$&'-R >.364/53 u#5#26<u %1$$: ()# :0;2&0(45#: (& %1$%0$1(# ()# 7&(#5(41$ #5#26< (#2': 153 :0': 07 (& =&2' ()# (&(1$#5#26< &$'-RS& 8.A+5.4/3* u#5#26<K#u 4: 15 10>4$412< 2&0(45# =&2 ()# 151$<K# 72&621' ()1( 7#2=&2': ()# #5#26< 151$<:4: 1537245(: ()# (&(1$ 153 45(#2'&$#%0$12 #5#264#:

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93 "#$%&' ()*+,) -./0* 93

&JGV&$I 8.A+5.4/3* u#&7;#53u %&'70(#: ()# &0(@&=@7$15# ;#53 7&(#5(41$ #5#26< 1( (246&51$ %#5(#2: B41 1 "4$:&5@Y#%40:@U2&:: 156$# ;#53 &JGV&$I1 8.A+5.4/3* u#&7;#53Gu %&'70(#: ()# &0(@&=@7$15# ;#53 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: 1( (246&51$ %#5(#2:B41 1 "4$:&5@Y#%40:@U2&:: 156$# ;#53 &JGV&$ID 8.A+5.4/3* u#&7;#53Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# &0(@&=@7$15# ;#53 #5#26< B41 1 "4$:&5@Y#%40:@U2&::156$# ;#53 =&2 1 :456$# 1(&' 0:456 =454(# 34==#2#5%# '#()&3: &JGV&$IDN 8.A+5.4/3* u#&7;#53J1u %1$%0$1(#: &0(@&=@7$15# ;#53456 =42:( 3#24B1(4B#: 1( 1 (246&51$ %#5(#2 B41 1 "4$:&5@Y#%40:@U2&:: 156$# ;#53l 0:#3 45 %&'70(1(4&5 &= =454(# 34==#2#5%# :#%&53 3#24B1(4B#: &JGV&$IL 8.A+5.4/3* u#&7;#53Lu %&'70(#: ()# &0(@&=@7$15# ;#53 7&(#5(41$ #5#26< 1( (246&51$ %#5(#2: B41 1 "4$:&5@Y#%40:@U2&:: 156$# ;#53l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &JGI#8" 8.A+5.4/3* u#&734:(u %&'70(#: ()# &0(@&=@7$15# 34:(15%# 7&(#5(41$ #5#26< 1( (246&51$ %#5(#2: B41 ()# %#5(21$1(&' )#46)( &JGI#8"1 8.A+5.4/3* u#&734:(Gu %&'70(#: ()# &0(@&=@7$15# 34:(15%# 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: 1( (246&51$%#5(#2: B41 ()# %#5(21$ 1(&' )#46)( &JGI#8"D 8.A+5.4/3* u#&734:(Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# &0(@&=@7$15# 34:(15%# #5#26< =&2 1 :456$# 1(&' B41 ()#%#5(21$ 1(&' )#46)( &JGI#8"L 8.A+5.4/3* u#&734:(Lu %&'70(#: ()# &0(@&=@7$15# 34:(15%# 7&(#5(41$ #5#26< 1( (246&51$ %#5(#2: B41 ()# %#5(21$1(&' )#46)(l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &G#"J'8 8.A+5.4/3* u#74(&2:u %1$%0$1(#: ()# 74@&2;4(1$ (&2:4&5 7&(#5(41$ #5#26< &G#"J'81 8.A+5.4/3*

Page 95: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

94 "#$%&' ()*+,) -./0* 94

u#74(&2:Gu %1$%0$1(#: ()# 74@&2;4(1$ (&2:4&5 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &G#"J'8D 8.A+5.4/3* u#74(&2:Ju %1$%0$1(#: ()# :#%&53 3#24B1(4B#: &= ()# 74@&2;4(1$ (&2:4&5 #5#26< =&2 1 :456$# 1(&' 0:456=454(# 34==#2#5%# '#()&3: &G#"J'8DN 8.A+5.4/3* u#74(&2:J1u %1$%0$1(#: ()# 74@&2;4(1$ (&2:4&5 =42:( 3#24B1(4B#:l 0:#3 45 %&'70(1(4&5 &= =454(# 34==#2#5%#:#%&53 3#24B1(4B#: &G#"J'8L 8.A+5.4/3* u#74(&2:Lu %1$%0$1(#: ()# 74@&2;4(1$ (&2:4&5 7&(#5(41$ #5#26<l 1$:& 712(4(4&5: ()# #5#26< (#2': 1'&56()# 1(&': &GO& 8.A+5.4/3* u#7'#u %&'70(#: ()# 2#%472&%1$ :71%# #5#26< =&2 1 712(4%$# '#:) .?1$3 :0''1(4&5 &B#2 712(41$%)126#: &GO&1 8.A+5.4/3* u#7'#Gu %&'70(#: ()# 2#%472&%1$ :71%# #5#26< 153 =42:( 3#24B1(4B#: =&2 1 712(4%$# '#:) .?1$3:0''1(4&5 &GO&L 8.A+5.4/3* u#7'#Lu %&'70(#: ()# 2#%472&%1$ :71%# #5#26< =&2 1 712(4%$# '#:) .?1$3 :0''1(4&5 &B#2 712(41$%)126#: 153 7245(: 45=&2'1(4&5 1;&0( ()# #5#26< &B#2 ()# %)126# 6243 7&45(: &G(?P? 8.A+5.4/3* &'&NP 8.A+5.4/3* u#2#1$u #B1$01(#: ()# 2#1$ :71%# 7&2(4&5 &= ()# 2#60$12 .?1$3 :0''1(4&5 #5#26< 30# (& 1(&'4%'0$(47&$# 45(#21%(4&5: 153 347&$# 7&$124K1;4$4(< &'&NP1 8.A+5.4/3* u#2#1$Gu #B1$01(#: ()# 2#1$ :71%# 7&2(4&5 &= ()# 2#60$12 .?1$3 :0''1(4&5 #5#26< 153 62134#5( 30# (&1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$# 7&$124K1;4$4(< &'&NPL 8.A+5.4/3* u#2#1$Lu #B1$01(#: ()# 2#1$ :71%# 7&2(4&5 &= ()# 2#60$12 .?1$3 :0''1(4&5 #5#26< 30# (& 1(&'4%'0$(47&$# 45(#21%(4&5: 153 347&$# 7&$124K1;4$4(< 153 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&':

Page 96: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

95 "#$%&' ()*+,) -./0* 95

&'&?#G 8.A+5.4/3* u#2#%47u #B1$01(#: ()# 2#%472&%1$ :71%# 7&2(4&5 &= ()# 2#60$12 .?1$3 :0''1(4&5 #5#26< 30# (& 1(&'4%'0$(47&$# 45(#21%(4&5: 153 347&$# 7&$124K1;4$4(< &'&?#G1 8.A+5.4/3* u#2#%47Gu #B1$01(#: ()# 2#%472&%1$ :71%# 7&2(4&5 &= ()# 2#60$12 .?1$3 :0''1(4&5 #5#26< 15362134#5( 30# (& 1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$# 7&$124K1;4$4(< &'&?#GL 8.A+5.4/3* u#2#%47Lu #B1$01(#: ()# 2#%472&%1$ :71%# 7&2(4&5 &= ()# 2#60$12 .?1$3 :0''1(4&5 #5#26< 30# (&1(&'4% '0$(47&$# 45(#21%(4&5: 153 347&$# 7&$124K1;4$4(<C 153 7245(: 45=&2'1(4&5 1;&0( ()# #5#26< &B#2()# 2#%472&%1$ $1((4%# B#%(&2: &'> >.364/53 u#2=u %&'70(#: 1 50'#24%1$ 1772&>4'1(4&5 (& ()# B1$0# &= ()# #22&2 =05%(4&5 B41 1 U)#;<:)#B1772&>4'1(4&5 &'>? >.364/53 u#2=%u %&'70(#: 1 50'#24%1$ 1772&>4'1(4&5 (& ()# B1$0# &= ()# %&'7$#'#5(12< #22&2 =05%(4&5 B41 1U)#;<:)#B 1772&>4'1(4&5 &'>?J'& 8.A+5.4/3* u#2=%&2#u #B1$01(#: #2=F>H &2 #2=%F>H =&2 1 2#1$ 1260'#5( >l ?)#5 %1$$#3 ?4() '&3# :#( (& S 4( 2#(025:#2=C 1 '&3# &= G 2#(025: #2=%l 0:#: 21(4&51$ =05%(4&5: ()1( 1772&>4'1(# #2=F>H 153 #2=%F>H (& 1( $#1:( GQ:4654=4%15( 3#%4'1$ 3464(: &'>#% 8.A+5.4/3* u#2=48u %&'70(# ()# 2#1%(4&5 =4#$3 #5#26< 30# (& 1 :456$# 7142 &= 1(&'4% '0$(47&$#: &'>#$Z >.364/53 u#2=45Bu #B1$01(#: ()# 45B#2:# &= ()# #22&2 =05%(4&5 #2= =&2 1 2#1$ 1260'#5( 45 ()# 2156# F@GCGH 0:456 121(4&51$ =05%(4&5 1772&>4'1(4&5 =&$$&?#3 ;< %<%$#: &= ,#?(&5@/17):&5 %&22#%(4&5 &'Q$>PI 8.A+5.4/3* u#2>5=$3u %1$%0$1(#: ()# '1%2&:%&74% 2#1%(4&5 =4#$3 #5#26< 124:456 =2&' 1 :#( &= 1(&'4% '0$(47&$#: &'Q$>PI1 8.A+5.4/3* u#2>5=$3Gu %1$%0$1(#: ()# '1%2&:%&74% 2#1%(4&5 =4#$3 #5#26< 153 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#:

Page 97: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

96 "#$%&' ()*+,) -./0* 96

&'Q$>PID 8.A+5.4/3* u#2>5=$3Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# '1%2&:%&74% 2#1%(4&5 =4#$3 #5#26< =&2 1 :456$# 1(&' 1(1 (4'# &'Q$>PIL 8.A+5.4/3* u#2>5=$3Lu %1$%0$1(#: ()# '1%2&:%&74% 2#1%(4&5 =4#$3 #5#26<C 153 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()#1(&': &8JPZ 8.A+5.4/3* u#:&$Bu %1$%0$1(#: ()# %&5(4500' :&$B1(4&5 #5#26< B41 #4()#2 ()# .4:#5;#26@T%_1%)$15 \Wb '&3#$CV&4@W%)#2161 W\W\ '&3#$C B124&0: edaW\ '#()&3: &2 ()# \U. '&3#$ &8JPZ1 8.A+5.4/3* u#:&$BGu %1$%0$1(#: ()# %&5(4500' :&$B1(4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: 0:456 #4()#2 ()# .4:#5;#26@T%_1%)$15 \WbC V&4@W%)#2161 W\W\ &2 B124&0: edaW\:&$B1(4&5 '&3#$: &8JPZD 8.A+5.4/3* u#:&$BJu %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# %&5(4500' :&$B1(4&5 #5#26< 0:456 #4()#2 ()# .4:#5;#26@T%_1%)$15 \WbC V&4@W%)#2161 W\W\ &2 B124&0: edaW\ :&$B1(4&5 '&3#$: &8JPZL 8.A+5.4/3* u#:&$BLu %1$%0$1(#: ()# %&5(4500' :&$B1(4&5 #5#26< 0:456 #4()#2 ()# .4:#5;#26@T%_1%)$15 \Wb '&3#$CV&4@W%)#2161 W\W\ '&3#$C B124&0: edaW\ '#()&3: &2 ()# \U. '&3#$l 1$:& 712(4(4&5: ()# #5#26<1'&56 ()# 1(&': &8"'V$I 8.A+5.4/3* u#:(2;53u %1$%0$1(#: ()# :(2#(%)@;#53 7&(#5(41$ #5#26< &8"'V$I1 8.A+5.4/3* u#:(2;53Gu %1$%0$1(#: ()# :(2#(%)@;#53 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &8"'V$ID 8.A+5.4/3* u#:(2;53Ju %1$%0$1(#: ()# :(2#(%)@;#53 7&(#5(41$ #5#26< :#%&53 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: &8"'V$IL 8.A+5.4/3* u#:(2;53Lu %1$%0$1(#: ()# :(2#(%)@;#53 7&(#5(41$ #5#26<l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&':

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97 "#$%&' ()*+,) -./0* 97

&8"'"J' 8.A+5.4/3* u#:(2(&2u %1$%0$1(#: ()# :(2#(%)@(&2:4&5 7&(#5(41$ #5#26< &8"'"J'1 8.A+5.4/3* u#:(2(&2Gu %1$%0$1(#: ()# :(2#(%)@(&2:4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: &8"'"J'D 8.A+5.4/3* u#:(2(&2Ju %1$%0$1(#: ()# :(2#(%)@(&2:4&5 7&(#5(41$ #5#26< :#%&53 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &8"'"J'L 8.A+5.4/3* u#:(2(&2Lu %1$%0$1(#: ()# :(2#(%)@(&2:4&5 7&(#5(41$ #5#26<l 1$:& 712(4(4&5: ()# #5#26< (#2': 1'&56 ()#1(&': &"J'8 8.A+5.4/3* u#(&2:u %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26< &"J'8TN 8.A+5.4/3* u#(&2:S1u %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26< 0:456 1 :(153123 :0' &= ]&024#2 (#2': &"J'8TV 8.A+5.4/3* u#(&2:S;u %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26< =&2 0:# ?4() 7&(#5(41$ #5#26< :'&&()456 '#()&3: &"J'81 8.A+5.4/3* u#(&2:Gu %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: &"J'81N 8.A+5.4/3* u#(&2:G1u %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: 0:456 1 :(153123 :0' &= ]&024#2 (#2': &"J'81V 8.A+5.4/3* u#(&2:G;u %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: =&2 0:# ?4() 7&(#5(41$ #5#26< :'&&()456 '#()&3: &"J'8D 8.A+5.4/3*

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98 "#$%&' ()*+,) -./0* 98

u#(&2:Ju %1$%0$1(#: ()# :#%&53 3#24B1(4B#: &= ()# (&2:4&51$ #5#26< =&2 1 :456$# 1(&' &"J'8DN 8.A+5.4/3* u#(&2:J1u %1$%0$1(#: ()# :#%&53 3#24B1(4B#: &= ()# (&2:4&51$ #5#26< =&2 1 :456$# 1(&' 0:456 1 :(153123:0' &= ]&024#2 (#2': &"J'8DV 8.A+5.4/3* u#(&2:J;u %1$%0$1(#: ()# :#%&53 3#24B1(4B#: &= ()# (&2:4&51$ #5#26< =&2 1 :456$# 1(&' =&2 0:# ?4()7&(#5(41$ #5#26< :'&&()456 '#()&3: &"J'8L 8.A+5.4/3* u#(&2:Lu %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26<l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &"J'8LN 8.A+5.4/3* u#(&2:L1u %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26< 0:456 1 :(153123 :0' &= ]&024#2 (#2': 153712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &"J'8LV 8.A+5.4/3* u#(&2:L;u %1$%0$1(#: ()# (&2:4&51$ 7&(#5(41$ #5#26< =&2 0:# ?4() 7&(#5(41$ #5#26< :'&&()456 '#()&3:153 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &"J'"J' 8.A+5.4/3* u#(&2(&2u %1$%0$1(#: ()# (&2:4&5@(&2:4&5 7&(#5(41$ #5#26< &"J'"J'1 8.A+5.4/3* u#(&2(&2Gu %1$%0$1(#: ()# (&2:4&5@(&2:4&5 #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (& U12(#:415%&&23451(#: &"J'"J'D 8.A+5.4/3* u#(&2(&2Ju %1$%0$1(#: ()# (&2:4&5@(&2:4&5 7&(#5(41$ #5#26< :#%&53 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &"J'"J'L 8.A+5.4/3* u#(&2(&2Lu %1$%0$1(#: ()# (&2:4&5@(&2:4&5 7&(#5(41$ #5#26<l 1$:& 712(4(4&5: ()# #5#26< (#2': 1'&56()# 1(&': &('&R 8.A+5.4/3* u#02#<u %1$%0$1(#: ()# ^2#<@d213$#< G@L 45(#21%(4&5 #5#26<

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99 "#$%&' ()*+,) -./0* 99

&('&R1 8.A+5.4/3* u#02#<Gu %1$%0$1(#: ()# ^2#<@d213$#< 45(#21%(4&5 #5#26< 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: &('&RD 8.A+5.4/3* u#02#<Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# ^2#<@d213$#< 45(#21%(4&5 #5#26< =&2 1 :456$# 1(&' 1( 1(4'# &('&RL 8.A+5.4/3* u#02#<Lu %1$%0$1(#: ()# ^2#<@d213$#< #5#26<l 1$:& 712(4(4&5: ()# #5#26< 1'&56 ()# 1(&': &<NPI?J> 8.A+5.4/3* u#?1$3%&=u =453: 1 B1$0# &= ()# .?1$3 %&#==4%4#5( :0%) ()1( 1$$ (#2': ;#<&53 ()# :7#%4=4#3 %0(&==34:(15%# ?4$$ )1B# 15 B1$0# $#:: ()15 1 :7#%4=4#3 (&$#215%# &QGPJ'& 8.A+5.4/3* u#>7$&2#u 0:#: :4'0$1(#3 155#1$456 &5 15 454(41$ %203# #';#33#3 34:(15%# 6#&#'(2< :(20%(02# (&2#=45# B#2:0: ()# ;&053C %)421$4(<C 7$15124(< 153 (&2:4&51$ #22&2 =05%(4&5: &Q"'N 8.A+5.4/3* u#>(21u %1$%0$1(#: 15< 1334(4&51$ 0:#2 3#=45#3 7&(#5(41$ #5#26< %&5(24;0(4&5 &Q"'N1 8.A+5.4/3* u#>(21Gu %1$%0$1(#: 15< 1334(4&51$ 0:#2 3#=45#3 7&(#5(41$ #5#26< %&5(24;0(4&5 153 4(: =42:( 3#24B1(4B#: &Q"'ND 8.A+5.4/3* u#>(21Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= 15< 1334(4&51$ 0:#2 3#=45#3 7&(#5(41$ #5#26< %&5(24;0(4&5=&2 1 :456$# 1(&' 1( 1 (4'# &Q"'NL 8.A+5.4/3* u#>(21Lu %1$%0$1(#: 15< 1334(4&51$ 0:#2 3#=45#3 7&(#5(41$ %&5(24;0(4&5 153 1$:& 712(4(4&5: ()# #5#26<1'&56 ()# 1(&': >N"NP 8.A+5.4/3* u=1(1$u (#2'451(#: #>#%0(4&5 30# (& 1 0:#2 2#I0#:(C 1 :#B#2# #22&2 &2 :&'# &()#2 5&5:(153123%&534(4&5 >>"VN?% 8.A+5.4/3*

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100 "#$%&' ()*+,) -./0* 100

>>">'J$" 8.A+5.4/3* >>"8&"(G 8.A+5.4/3* >#&PI 8.A+5.4/3* u=4#$3u :#(: ()# =&2%# =4#$3 7&(#5(41$ #5#26< =05%(4&5: =2&' 1 7121'#(#2 =4$# 153 '&34=4%1(4&5::7#%4=4#3 45 1 8#<=4$# >#$NP 8.A+5.4/3* u=451$u 7#2=&2': 15< =451$ 72&621' 1%(4&5:C 7245(: 1 :(1(0: '#::16#C 153 ()#5 710:#: 4= 5#%#::12< (&1B&43 %$&:456 ()# #>#%0(4&5 ?453&? >#$IN"O 8.A+5.4/3* u=4531('u $&%1(#: 1 :7#%4=4% bYd 1(&' 51'# (<7# ?4()45 1 2156# &= 1(&': =2&' ()# bYd =4$#C 2#(025:K#2& 4= ()# 51'# (<7# ?1: 5&( =&053 >#QGIV 8.A+5.4/3* u=4>73;u %&22#%(: 72&;$#': ?4() bYd =4$#: ;< %&5B#2(456 2#:430# 153 1(&' 51'#: (& ()# =&2': 0:#3;< *+,-./ >'N?I#8" 8.A+5.4/3* u=21%34:(u %&'70(#: 1 5&2'1$4K#3 34:(24;0(4&5 &= ()# 7142?4:# =21%(4&51$ 34:(15%#: ;#(?##5 ()#:'&&()#3 077#2 153 $&?#2 ;&053: >'&&($#" >.364/53 u=2##054(u =453: 15 05&7#5#3 ]&2(215 +aV 054( 153 2#(025: 4(: 50'#24%1$ B1$0# =2&' G (& RRl ()# 054(:1$2#13< 1::465#3 (& u4570(u 153 u4&0(u F0:01$$< N 153 OH 12# :8477#3 :45%# ()#< )1B# :7#%41$ '#154561: ()# 3#=10$( +aV 054(: -NOOP$ >.364/53 u61''$5u 0:#: 1 :#24#: #>715:4&5 30# (& _15%K&: (& %&'70(# ()# 51(021$ $&6124()' &= ()# e1''1=05%(4&5 1( u>u 45 qSCGr -IN G+5X+;C u631u 4'7$#'#5(: e10::415 Y#5:4(< \55#1$456 FeY\H 1$6&24()' =&2 6$&;1$ &7(4'4K1(4&5 B41 :4'0$1(#3155#1$456 -IN1 8.A+5.4/3* -IND >.364/53 -INL 8.A+5.4/3*

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101 "#$%&' ()*+,) -./0* 101

-IN8"N" 8.A+5.4/3* -&$IJ" 8.A+5.4/3* u6#53&(u =453: ()# %&&23451(#: &= 1 :7#%4=4#3 50';#2 &= :02=1%# 7&45(: =&2 1 :7)#2# ?4() ()# 4570(21340: 153 %&&23451(# %#5(#2 -&JI&8#? 8.A+5.4/3* u6#&3#:4%u :'&&(): ()# 077#2 153 $&?#2 34:(15%# ;&053: B41 ()# (24156$# 45#I01$4(< 0:456 1 :712:#'1(24> B#2:4&5 &= 1 :)&2(#:( 71() 1$6&24()' -&JO&"'R >.364/53 u6#&'#(2<u =453: ()# B1$0# &= ()# 45(#21(&'4% 34:(15%#C 156$# &2 34)#321$ 156$# 3#=45#3 ;< (?& (& =&024570( 1(&': -&"VN8& 8.A+5.4/3* u6#(;1:#u =453: ()# ;1:# )#1B< 1(&': =&2 1 :456$# 50%$#&(43# 2#:430# 153 %&74#: ()# 51'#: 153%&&23451(#: (& ()# b2&(#45 Y1(1 d158 =4$# -&"#O& 8.A+5.4/3* u6#(4'#u 6#(: #$17:#3 Ub^ (4'# 45 :#%&53: =&2 15 45(#2B1$ -&"#$" 8.A+5.4/3* u6#(45(u 1:8: =&2 15 45(#251$ %&&23451(# =4$# 51'#C ()#5 2#13: ()# 45(#251$ %&&23451(#: 153 %&'70(#:U12(#:415 %&&23451(#: -&"%&R 8.A+5.4/3* u6#(8#<u =453: 1 B1$43 8#<=4$# 153 :(&2#: 4(: %&5(#5(: 1: $45# 4'16#: =&2 :0;:#I0#5( 8#<?&237121'#(#2 :#12%)456 -&"OJPD 8.A+5.4/3* u6#('&$Ju 1:8: =&2 1 W<;<$ TV_J '&$#%0$# =4$# 51'#C ()#5 2#13: ()# %&&23451(#: =2&' ()# =4$# -&"OJ$#"J' 8.A+5.4/3* -&"$(?Y 8.A+5.4/3* u6#(50%)u =453: ()# 50%$#&(43# )<32&6#5 1(&': =&2 1 :456$# 2#:430# 153 %&74#: ()# 51'#: 153%&&23451(#: (& ()# b2&(#45 Y1(1 d158 =4$# -&"$(OV 8.A+5.4/3*

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102 "#$%&' ()*+,) -./0* 102

u6#(50';u :#12%): 15 4570( :(2456 =2&' $#=( (& 246)( =&2 15 45(#6#2 153 70(: ()# 50'#24% B1$0# 45u50';#2ul 2#(025: K#2& ?4() u5#>(u 05%)156#3 4= 5& 45(#6#2 B1$0# 4: =&053 -&"GIV 8.A+5.4/3* u6#(73;u 1:8: =&2 1 b2&(#45 Y1(1 d158 =4$# 51'#C ()#5 2#13: 45 ()# %&&23451(#: =4$# -&"G'V 8.A+5.4/3* u6#(72;u (#:(: =&2 1 7&::4;$# 72&;# 7&:4(4&5 1( ()# 45(#2=1%# ;#(?##5 ()2## 5#46);&2456 1(&': -&"G'O 8.A+5.4/3* u6#(72'u =453: ()# 7&(#5(41$ #5#26< 7121'#(#2 =4$# 153 ()#5 &7#5: 153 2#13: ()# 7121'#(#2: -&"G'JY 8.A+5.4/3* u6#(72&)u =453: ()# )<32&6#5 1(&': =&2 1 :456$# 1'45& 1%43 2#:430# 153 %&74#: ()# 51'#: 153%&&23451(#: (& ()# b2&(#45 Y1(1 d158 =4$# -&"'&> 8.A+5.4/3* u6#(2#=u %&74#: :(20%(02# 45=&2'1(4&5 =2&' ()# 2#=#2#5%# 12#1 45(& ()# :(153123 B1241;$#: =&2 ()#%022#5( :<:(#' :(20%(02# -&"8&K 8.A+5.4/3* u6#(:#Iu 1:8: ()# 0:#2 =&2 ()# 1'45& 1%43 :#I0#5%# 153 (&2:4&51$ 156$# B1$0#: 5##3#3 (& 3#=45# 17#7(43# -&"8&K$ 8.A+5.4/3* u6#(:#I5u 1:8: ()# 0:#2 =&2 ()# 50%$#&(43# :#I0#5%# 153 (&2:4&51$ 156$# B1$0#: 5##3#3 (& 3#=45# 150%$#4% 1%43 -&"8#I& 8.A+5.4/3* u6#(:43#u =453: ()# :43# %)145 )#1B< 1(&': =&2 1 :456$# 1'45& 1%43 2#:430# 153 %&74#: ()# 51'#: 153%&&23451(#: (& ()# b2&(#45 Y1(1 d158 =4$# -&"8"'#$- 8.A+5.4/3* u6#(:(2456u :#12%): =&2 1 I0&(#3 (#>( :(2456 ?4()45 15 4570( %)121%(#2 :(2456l ()# 2#64&5 ;#(?##5 ()#=42:( 153 :#%&53 I0&(#: 4: 2#(025#3 1: ()# u(#>(ul 4= ()# 1%(01$ (#>( 4: (&& $&56C &5$< ()# =42:( 712( 4:2#(025#3 -&""&Q" 8.A+5.4/3*

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103 "#$%&' ()*+,) -./0* 103

u6#((#>(u :#12%): 15 4570( :(2456 =&2 ()# =42:( :(2456 &= 5&5@;$158 %)121%(#2:l ()# 2#64&5 =2&' 1 5&5@;$158 %)121%(#2 (& ()# =42:( ;$158 :71%# 4: 2#(025#3 1: u(#>(ul 4= ()# 1%(01$ (#>( 4: (&& $&56C &5$< ()# =42:(712( 4: 2#(025#3 -&""J' 8.A+5.4/3* u6#((&2u (#:(: =&2 1 7&::4;$# (&20: 7&:4(4&5 1( ()# 45(#2=1%# ;#(?##5 (?& 1(&':C 153 =453: ()# (&20:21340:C %#5(#2 153 1>4: -&"<J'I 8.A+5.4/3* u6#(?&23u :#12%): 15 4570( :(2456 =&2 ()# =42:( 1$7)1;#(4% %)121%(#2 F\@j &2 1@KHl ()# 2#64&5 =2&' ()4:=42:( %)121%(#2 (& ()# =42:( ;$158 :71%# &2 %&''1 4: 2#(025#3 1: 1 u?&23ul 4= ()# 1%(01$ ?&23 4: (&&$&56C &5$< ()# =42:( 712( 4: 2#(025#3 -&"QRS 8.A+5.4/3* u6#(><Ku 1:8: =&2 1 U12(#:415 %&&23451(# =4$# 51'#C ()#5 2#13: 45 ()# %&&23451(#: =4$# -'NI#&$" 8.A+5.4/3* u62134#5(u %1$$: :0;2&0(45#: (& %1$%0$1(# ()# 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&U12(#:415 %&&23451(#: -'NI'-I 8.A+5.4/3* u6213263u %1$$: :0;2&0(45#: (& %1$%0$1(# ()# 7&(#5(41$ #5#26< 153 =42:( 3#24B1(4B#: ?4() 2#:7#%( (&24643 ;&3< %&&23451(#: -'NI'J" 8.A+5.4/3* u62132&(u %1$$: :0;2&0(45#: (& %1$%0$1(# ()# 7&(#5(41$ #5#26< 153 4(: (&2:4&51$ =42:( 3#24B1(4B#: -'N>#? 8.A+5.4/3* u621=4%u &0(70(: ()# 077#2 v $&?#2 (24156$#: 153 3416&51$ &= 1 :I012# '1(24> 45 1 :%)#'1(4% =&2' =&2B4:01$ 45:7#%(4&5 -'J(G8 8.A+5.4/3* u62&07:u (#:(: 1 :#( &= 1(&': (& :## 4= 1$$ 12# '#';#2: &= 1 :456$# 1(&' 62&07 &2 1 7142 &= 1(&' 62&07:l4= :&C ()#5 ()# %&22#%( 45(21@ &2 45(#262&07 ?#46)( 4: 1::465#3 -'GP#$& 8.A+5.4/3* u627$45#u (#:(: #1%) 1(&' 62&07 =&2 $45#124(< &= ()# :4(#: %&5(145#3 45 ()# 62&07 -R'N"& 8.A+5.4/3* u6<21(#u %&'70(#: ()# 21340: &= 6<21(4&5 &= 1 '&$#%0$12 :<:(#' =2&' 4(: 1(&'4% %&&23451(#:

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104 "#$%&' ()*+,) -./0* 104

YN$-P& 8.A+5.4/3* u)156$#u %&5:(20%(: )<;243 156$# ;#53456 7121'#(#2: 64B#5 15 454(41$ :(1(#C =451$ :(1(# 153 u$1';31uB1$0# YN"JO 8.A+5.4/3* u)1(&'u 1::465: 1 5#? 1(&' (<7# (& #1%) )<;243 :4(# YVJ$I 8.A+5.4/3* u);&53u %&5:(20%(: )<;243 ;&53 :(2#(%) 7121'#(#2: 64B#5 15 454(41$ :(1(#C =451$ :(1(# 153 u$1';31uB1$0# Y?YN'-& 8.A+5.4/3* u)%)126#u %&5:(20%(: )<;243 %)126# 45(#21%(4&5 7121'#(#2: 64B#5 15 454(41$ :(1(#C =451$ :(1(# 153u$1';31u B1$0# YI#GJP& 8.A+5.4/3* u)347&$#u %&5:(20%(: )<;243 347&$# 45(#21%(4&5 7121'#(#2: 64B#5 15 454(41$ :(1(#C =451$ :(1(# 153u$1';31u B1$0# Y&88#N$ 8.A+5.4/3* u)#::415u %1$$: :0;2&0(45#: (& %1$%0$1(# ()# X#::415 #$#'#5(: =&2 #1%) 1(&' 45 (025 ?4() 2#:7#%( (&U12(#:415 %&&23451(#: Y&88'-I 8.A+5.4/3* u)#::263u %&'70(#: ()# 50'#24%1$ X#::415 #$#'#5(: ?4() 2#:7#%( (& 24643 ;&3< %&&23451(#: B41Ow562&07fG 62134#5( #B1$01(4&5: Y&88'J" 8.A+5.4/3* u)#::2&(u %&'70(#: ()# 50'#24%1$ X#::415 #$#'#5(: ?4() 2#:7#%( (& (&2:4&51$ 156$#:l #4()#2 ()# =0$$'1(24> &2 D0:( ()# 3416&51$ %15 ;# %1$%0$1(#3l ()# =0$$ '1(24> 5##3: 5&'#61fG 62134#5( #B1$01(4&5:?)4$# ()# 3416&51$ 2#I042#: D0:( (?& 62134#5( %1$$: Y#OG"J' 8.A+5.4/3* u)4'7(&2u %&5:(20%(: )<;243 4'72&7#2 (&2:4&51$ 7121'#(#2: 64B#5 15 454(41$ :(1(#C =451$ :(1(# 153u$1';31u B1$0# Y8"'V$I 8.A+5.4/3* u):(2;53u %&5:(20%(: )<;243 :(2#(%)@;#53 7121'#(#2: 64B#5 15 454(41$ :(1(#C =451$ :(1(# 153 u$1';31uB1$0#

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105 "#$%&' ()*+,) -./0* 105

Y8"'"J' 8.A+5.4/3* u):(2(&2u %&5:(20%(: )<;243 :(2#(%)@(&2:4&5 7121'#(#2: 64B#5 15 454(41$ :(1(#C =451$ :(1(# 153 u$1';31uB1$0# Y"J'8 8.A+5.4/3* u)(&2:u %&5:(20%(: )<;243 (&2:4&51$ 7121'#(#2: =&2 1 64B#5 454(41$ :(1(#C =451$ :(1(# 153 u$1';31u B1$0# YZI< 8.A+5.4/3* u)B3?u %&5:(20%(: )<;243 B15 3#2 "11$: 7121'#(#2: 64B#5 15 454(41$ :(1(#C =451$ :(1(# 153 u$1';31uB1$0# YRV'#I 8.A+5.4/3* u)<;243u %&5:(20%(: ()# )<;243 )1'4$(&5415 =&2 1 :7#%4=4#3 454(41$ :(1(#C =451$ :(1(# 153 '0(1(4&57121'#(#2 u$1';31u #e%G"8 8.A+5.4/3* u4D87(:u :(&2#: 1 :#( &= 4534%#: 0:#3 302456 %1$%0$1(4&5 &= '1%2&:%&74% 2#1%(4&5 =4#$3 #5#26#(4%: #ON-& 8.A+5.4/3* u4'16#u (18#: ()# %&'7&5#5(: &= 7142?4:# 34:(15%# ;#(?##5 (?& 7&45(: 45 ()# :1'# &2 5#46);&24567#24&34% ;&>#: 153 %&5B#2(: (& ()# %&'7&5#5(: &= ()# '454'0' 4'16# 34:(15%# #OGJ8& 8.A+5.4/3* u4'7&:#u 7#2=&2': ()# $#1:( :I012#: ;#:( :07#27&:4(4&5 &= (?& 1(&'4% %&&23451(# :#(: B41 1I01(#254&5 '#()&3l 07&5 2#(025C ()# =42:( %&&23451(# :#( 4: 05%)156#3 ?)4$# ()# :#%&53 :#( 4:(215:$1(#3 153 2&(1(#3 (& 64B# ;#:( =4(l ()# =451$ 2&&( '#15 :I012# =4( 4: 2#(025#3 45 u2':B1$0#u #$I(?& 8.A+5.4/3* u4530%#u %&'70(#: ()# 4530%#3 347&$# '&'#5( 1( #1%) 7&$124K1;$# :4(# 30# (& 342#%( &2 '0(01$7&$124K1(4&5l 1::0'#: ()1( '0$(47&$# %&'7&5#5(: )1B# 1$2#13< ;##5 2&(1(#3 45(& ()# 6$&;1$%&&23451(# =21'# #$I(?&TN 8.A+5.4/3* u4530%#S1u %&'70(#: ()# 4530%#3 347&$# '&'#5( 1( #1%) 7&$124K1;$# :4(# 0:456 1 7142?4:# 3&0;$#$&&7 #$I(?&TV 8.A+5.4/3* u4530%#S;u %&'70(#: ()# 4530%#3 347&$# '&'#5( 1( #1%) 7&$124K1;$# :4(# 0:456 1 2#60$12 .?1$3:0''1(4&5

Page 107: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

106 "#$%&' ()*+,) -./0* 106

#$&I-& 8.A+5.4/3* u45#36#u 45:#2(: 1 %&5%1B# #36# 45(& ()# $458#3 $4:( =&2 4(: (#'7&212< (&20: #$&'"#N 8.A+5.4/3* u45#2(41u %&'70(#: ()# 7245%471$ '&'#5(: &= 45#2(41 =&2 ()# :<:(#'C 153 &7(4&51$$< (215:$1(#: ()#%#5(#2 &= '1:: (& ()# &24645 153 2&(1(#: ()# 7245%471$ 1>#: &5(& ()# 6$&;1$ 1>#: #$#"&'' >.364/53 u454(#22u 4: ()# 454(41$ #22&2 =05%(4&5 153 3#24B1(4B#: =&2 1 34:(15%# 6#&'#(2< #';#33456l 4( 45%$03#:%&'7&5#5(: =2&' ()# $&%1$ 6#&'#(2< 153 (&2:4&51$ 2#:(2145( #22&2: #$#"#NP 8.A+5.4/3* u454(41$u :#(: 07 &246451$ B1$0#: =&2 :&'# 7121'#(#2: 153 B1241;$#: ()1( '46)( 5&( &()#2?4:# 6#(454(41$4K#3 #$#"G'O 8.A+5.4/3* u454(72'u %&'7$#(#$< 454(41$4K#: 1 =&2%# =4#$3 ;< :#((456 1$$ 7121'#(#2: (& K#2& 153 0:456 3#=10$(: =&2%&5(2&$ B1$0#: #$#"'&8 8.A+5.4/3* u454(2#:u :#(: 51'#: =&2 ;4&7&$<'#2 2#:430# (<7#: 0:#3 45 bYd =4$# %&5B#2:4&5 153 10(&'1(#36#5#21(4&5 &= :(20%(02#: #$#"'J" 8.A+5.4/3* u454(2&(u :#(: ()# (&2:4&51$ 156$#: ?)4%) 12# (& ;# 2&(1(#3 45 :0;:#I0#5( %&'70(1(4&5C ;< 3#=10$(10(&'1(4%1$$< :#$#%(: 1$$ 2&(1(1;$# :456$# ;&53:l 1::0'#: 45(#251$ %&&23451(#: )1B# 1$2#13< ;##5:#(07 #$8&'" 8.A+5.4/3* u45:#2(u 133: ()# :7#%4=4#3 1(&' (& ()# U12(#:415 %&&23451(#: $4:( 153 :)4=(: ()# 2#'145456 1(&': #$"&I#" G+5X+;C u45(#34(u 1$$&?: ()# 0:#2 (& #>(21%( 45=&2'1(4&5 =2&' &2 1$(#2 ()# B1$0#: ?4()45 15 45(#251$%&&23451(#: =4$# #$"QRS G+5X+;C u45(><Ku (18#: 1: 4570( 15 45(#251$ %&&23451(#: =4$#C %&5B#2(: (& 153 ()#5 ?24(#: &0( U12(#:415%&&23451(#:

Page 108: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

107 "#$%&' ()*+,) -./0* 107

#$ZV&"N >.364/53 u45B;#(1u %&'70(#: ()# 45B#2:# d#(1 34:(24;0(4&5 =05%(4&5 B41 1 %&';451(4&5 &= ,#?(&5 4(#21(4&5 153;4:#%(4&5 :#12%) #$Z&'" 8.A+5.4/3* u45B#2(u 45B#2(: 1 '1(24> 0:456 ()# e10::@g&2315 '#()&3 #G&I-& 8.A+5.4/3* u47#36#u 45:#2(: %&5B#> #36# 45(& $458#3 $4:( =&2 1(&' #8GPG& 8.A+5.4/3* u4:7$7#u %&'70(#: ()# %&#==4%4#5(: =&2 1 %0;4% 7#24&34% 45(#27&$1(456 :7$45# eN?JV# 8.A+5.4/3* uD1%&;4u 7#2=&2': 1 '1(24> 3416&51$4K1(4&5 &= 1 2#1$ :<''#(24% '1(24> ;< ()# '#()&3 &= g1%&;42&(1(4&5: %N$-N$- 8.A+5.4/3* u8156156u 1::465: ()# 7121'#(#2: =&2 156$#@156$# %2&:: (#2' 45(#21%(4&5: 153 72&%#::#: 5#? &2%)156#3 7121'#(#2 B1$0#: %N$-P& 8.A+5.4/3* u8156$#u 1::465: ()# =&2%# %&5:(15(: 153 43#1$ 156$#: =&2 ()# ;&53 156$#:l 1$:& 72&%#::#: 5#? &2%)156#3 7121'#(#2: %N"JO 8.A+5.4/3* u81(&'u 1::465: 15 1(&' (<7# 3#=454(4&5: (& #1%) 1(&' 45 ()# :(20%(02# 153 72&%#::#: 15< 5#? &2%)156#3 B1$0#: %VJ$I 8.A+5.4/3* u8;&53u 1::465: 1 =&2%# %&5:(15( 153 43#1$ ;&53 $#56() (& #1%) ;&53 45 ()# :(20%(02# 153 72&%#::#:15< 5#? &2 %)156#3 7121'#(#2 B1$0#: %?YN'-& 8.A+5.4/3* u8%)126#u 1::465: 712(41$ %)126#: (& ()# 1(&': ?4()45 ()# :(20%(02# 153 72&%#::#: 15< 5#? &2%)156#3 B1$0#: %?Y#'NP 8.A+5.4/3*

Page 109: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

108 "#$%&' ()*+,) -./0* 108

u8%)421$u 3#(#2'45#: ()# (126#( B1$0# =&2 #1%) %)421$4(< 153 7$15124(< 2#:(2145( 1: ()# :465#3 B&$0'#&= ()# 7121$$#$747#3 :7155#3 ;< B#%(&2: =2&' 1 %&''&5 1(&' (& #1%) &= ()2## &()#2 1(&': %I#GJP& 8.A+5.4/3* u8347&$#u 1::465: ;&53 347&$#: (& ()# ;&53: ?4()45 ()# :(20%(02# 153 72&%#::#: 15< 5#? &2 %)156#3B1$0#: %&$&- 8.A+5.4/3* u8#5#6u 177$4#: 724'12< 153 :#%&5312< #$#%(2&5#61(4B4(< ;&53 $#56() %&22#%(4&5: (& 177$4%1;$# ;&537121'#(#2: %&<NPI 8.A+5.4/3* u8#?1$3u 1::465: ;&() 2#60$12 .?1$3 :0''1(4&5 153 712(4%$# '#:) .?1$3 7121'#(#2: =&2 1 7#24&34%;&> %-&JO 8.A+5.4/3* u86#&'u 1:4:65: 7121'#(#2: =&2 6#&'#(24% 2#:(2145( (#2': (& ;# 45%$03#3 45 ()# 7&(#5(41$ #5#26<%1$%0$1(4&5 %#OG'JG 8.A+5.4/3* u84'72&7u 1::465: 7&(#5(41$ 7121'#(#2: (& #1%) 4'72&7#2 34)#321$ 45 ()# :(20%(02# 153 72&%#::#:15< %)156#3 B1$0#: %#OG"J' 8.A+5.4/3* u84'7(&2u 1::465: (&2:4&51$ 7121'#(#2: (& #1%) 4'72&7#2 (&2:4&5 45 ()# :(20%(02# 153 72&%#::#: 15<%)156#3 B1$0#: %#$&"#? 8.A+5.4/3* u845#(4%u %&'70(#: ()# (&(1$ 845#(4% #5#26< 153 845#(4% #5#26< %&5(24;0(4&5: (& ()# 72#::02# (#5:&2;< :0''456 &B#2 B#$&%4(4#: %O&"NP 8.A+5.4/3* u8'#(1$u 1::465: $46153 =4#$3 7121'#(#2: (& (215:4(4&5 '#(1$ 1(&': 153 72&%#::#: 15< 5#? &2%)156#3 7121'#(#2 B1$0#: %OGJP& 8.A+5.4/3* u8'7&$#u 1::465: 1(&'4% '0$(47&$# '&'#5(: (& ()# 1(&': &= ()# :(20%(02# 153 72&%#::#: 15< 5#? &2%)156#3 B1$0#: %JGV&$I 8.A+5.4/3*

Page 110: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

109 "#$%&' ()*+,) -./0* 109

u8&7;#53u 1::465: ()# =&2%# %&5:(15(: =&2 &0(@&=@7$15# ;#53456 1( (246&51$ %#5(#2: B41 "4$:&5@Y#%40:@U2&:: 156$# ;#53:l 1$:& 72&%#::#: 15< 5#? &2 %)156#3 7121'#(#2 B1$0#: %JGI#8" 8.A+5.4/3* u8&734:(u 1::465: ()# =&2%# %&5:(15(: =&2 &0(@&=@7$15# 34:(15%# 1( (246&51$ %#5(#2: B41 ()# %#5(21$ 1(&')#46)(l 1$:& 72&%#::#: 15< 5#? &2 %)156#3 7121'#(#2 B1$0#: %J'V#" 8.A+5.4/3* u8&2;4(u 1::465: 74@&2;4(1$ 7121'#(#2: (& %&5D061(#3 :<:(#': 153 72&%#::#: 15< 5#? &2 %)156#37121'#(#2: %G#"J'8 8.A+5.4/3* u874(&2:u 1::465: 74@&2;4(1$ (&2:4&5 7121'#(#2: (& (&2:4&5: 5##3456 ()#'C 153 72&%#::#: 15< 5#? &2%)156#3 B1$0#: %GJPN' 8.A+5.4/3* u87&$12u 1::465: 1(&'4% 347&$# 7&$124K1;4$4(4#: (& ()# 1(&': ?4()45 ()# :(20%(02# 153 72&%#::#: 15<5#? &2 %)156#3 B1$0#: %8JPZ 8.A+5.4/3* u8:&$Bu 1::465: %&5(4500' :&$B1(4&5 #5#26< 7121'#(#2: =&2 ()# .4:#5;#26@T%_1%)$15 \WbC V&4@W%)#2161 W\W\ &2 B124&0: edaW\ :&$B1(4&5 '&3#$: %8"'V$I 8.A+5.4/3* u8:(2;53u 1::465: ()# 7121'#(#2: =&2 ()# :(2#(%)@;#53 45(#21%(4&5: 153 72&%#::#: 5#? &2 %)156#37121'#(#2 B1$0#: %8"'"J' 8.A+5.4/3* u8:(2(&2u 1::465: :(2#(%)@(&2:4&5 7121'#(#2: (& (&2:4&5: 5##3456 ()#'C 153 72&%#::#: 15< 5#? &2%)156#3 B1$0#: %"J'8 8.A+5.4/3* u8(&2:u 1::465: (&2:4&51$ 7121'#(#2: (& #1%) (&2:4&5 45 ()# :(20%(02# 153 72&%#::#: 15< 5#? &2%)156#3 B1$0#: %"J'"J' 8.A+5.4/3* u8(&2(&2u 1::465: (&2:4&5@(&2:4&5 7121'#(#2: (& 13D1%#5( (&2:4&5 7142: 153 72&%#::#: 15< 5#? &2%)156#3 B1$0#: %('&R 8.A+5.4/3*

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110 "#$%&' ()*+,) -./0* 110

u802#<u 1::465: ()# =&2%# %&5:(15(: 153 43#1$ 34:(15%#: =&2 ()# ^2#<@d213$#< G@L 45(#21%(4&5:l 1$:&72&%#::#: 15< 5#? &2 %)156#3 7121'#(#2 B1$0#: %ZI< 8.A+5.4/3* u8B3?u 1::465: ()# 7121'#(#2: (& ;# 0:#3 45 %&'70(456 ()# B15 3#2 "11$: 45(#21%(4&5: 153 72&%#::#:15< 5#? &2 %)156#3 B1$0#: =&2 ()#:# 7121'#(#2: PN""#?& 8.A+5.4/3* u$1((4%#u :(&2#: ()# 7#24&34% ;&> 34'#5:4&5: 153 :#(: 156$# B1$0#: (& ;# 0:#3 45 %&'70(456 =21%(4&51$%&&23451(#: PV>-8 8.A+5.4/3* u$;=6:u 4: 1 $4'4(#3 '#'&2< d]eW I01:4@5#?(&5 5&5$45#12 &7(4'4K1(4&5 2&0(45# P#-N8& 8.A+5.4/3* u$461:#u (215:$1(#: 1 50%$#4% 1%43 :(20%(02# 45 b2&(#45 Y1(1 d158 =&2'1( (& 1 U12(#:415 %&&23451(# =4$#153 :#I0#5%# =4$# P#-Y"8 8.A+5.4/3* u$46)(:u %&'70(#: ()# :#( &= 5#12#:( 5#46);&2 45(#21%(4&5: 0:456 ()# '#()&3 &= $46)(: 1$6&24()' P#$VJIR 8.A+5.4/3* u$45;&3<u =453: ()# 1560$12 B#$&%4(< &= 1 $45#12 24643 ;&3< 64B#5 ()# 45#2(41 (#5:&2 153 1560$12'&'#5(0' PO8"&G 8.A+5.4/3* u$':(#7u %&'70(#: ()# _#B#5;#26@T12I0123( :(#7 302456 1 5&5$45#12 $#1:( :I012#: %1$%0$1(4&5l ()4:B#2:4&5 4: ;1:#3 07&5 43#1: =2&' ()# T4571%8 2&0(45# _Tb\/ (&6#()#2 ?4() ?4() ()# 45(#251$3&0;$456 :(21(#6< &= Y#554: 153 W%)51;#$ PJ?NPO#$ 8.A+5.4/3* u$&%1$'45u 4: 0:#3 302456 5&2'1$ '&3# $&%1$ :#12%) (& 7#2=&2' 1 U12(#:415 %&&23451(# #5#26<'454'4K1(4&5 PJ?NP'-I 8.A+5.4/3* u$&%1$263u 4: 0:#3 302456 ()# bWW $&%1$ :#12%) 72&%#302# (& 7#2=&2' 1 24643 ;&3< #5#26< '454'4K1(4&5 PJ?NP'J" 8.A+5.4/3*

Page 112: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

111 "#$%&' ()*+,) -./0* 111

u$&%1$2&(u 4: 0:#3 302456 ()# bWW $&%1$ :#12%) 72&%#302# (& 7#2=&2' 1 (&2:4&51$ :71%# #5#26<'454'4K1(4&5 PJ?NPQRS 8.A+5.4/3* u$&%1$><Ku 4: 0:#3 302456 ()# 7&(#5(41$ :'&&()456 153 :#12%) 72&%#302# (& 7#2=&2' 1 $&%1$&7(4'4K1(4&5 1( ()# %022#5( :'&&()456 $#B#$ PJ?&'' >.364/53 u$&%#22u 4: ()# $&%1$ 6#&'#(2< #22&2 =05%(4&5 153 3#24B1(4B#: 45%$03456 ()# G@JC G@L 153 G@M 34:(15%#;&053 2#:(2145(: PJ<?N8& 8.A+5.4/3* u$&?%1:#u %&5B#2(: 1 (#>( :(2456 (& 1$$ $&?#2 %1:# $#((#2: ONeJ'#S& 8.A+5.4/3* u'1D&24K#u 2#=45#: ()# 72&D#%(#3 %&&23451(#: ;< 1((#'7(456 (& '454'4K# ()# $#1:( :I012# 2#:4301$;#(?##5 ()# (241$ 34:(15%# '1(24> 153 ()# 34:(15%#: %&'70(#3 =2&' ()# %&&23451(#: ON%&#$" 8.A+5.4/3* u'18#45(u %&5B#2(: U12(#:415 (& 45(#251$ %&&23451(#: ?)#2# :#$#%(4&5 &= 45(#251$ %&&23451(#: 4:%&5(2&$$#3 ;< u'&3#u ON%&GIV 8.A+5.4/3* u'18#><Ku %&5B#2(: 1 :#( &= U12(#:415 %&&23451(#: (& b2&(#45 Y1(1 d158 =&2'1( ?4() :7#%41$ )153$456=&2 :<:(#': %&5:4:(456 &= 7&$<7#7(43# %)145:C $46153: 153 ?1(#2 '&$#%0$#: ON%&'&> 8.A+5.4/3* u'18#2#=u %&74#: ()# 45=&2'1(4&5 %&5(145#3 45 ()# u><Ku =4$# &= ()# %022#5( :(20%(02# 45(&%&22#:7&53456 2#=#2#5%# 12#1: ON%&QRS 8.A+5.4/3* u'18#><Ku 6#5#21(#: 1 %&'7$#(# :#( &= U12(#:415 %&&23451(#: =&2 1 =0$$ :(20%(02# =2&' ()# 45(#251$%&&23451(# B1$0#: ONG?Y&?% 8.A+5.4/3* u'17%)#%8u %)#%8: ()# %022#5( '454'0' #5#26< :(20%(02# =&2 7&::4;$# 1334(4&5 (& ()# '1:(#2 $4:( &=$&%1$ '454'1 ONQ<&PP >.364/53

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112 "#$%&' ()*+,) -./0* 112

u'1>?#$$u 2#(025: 1 :7##3 45 \56:(2&':a74%&:#%&53 2153&'$< :#$#%(#3 =2&' 1 L@Y T1>?#$$@d&$(K'155 34:(24;0(4&5 =&2 ()# :7#%4=4#3 712(4%$# '1:: 153 :<:(#' (#'7#21(02# O?O1 >.364/53 u'%'Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 (205%1(#3 ,#?(&5&7(4'4K1(4&5 45 U12(#:415 %&&23451(# :71%# O?OD 8.A+5.4/3* u'%'Ju 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# :712:# '1(24> X#::415 #$#'#5(: =&2 (205%1(#3 ,#?(&5&7(4'4K1(4&5 45 U12(#:415 %&&23451(# :71%# O?O8"&G >.364/53 u'%':(#7u 4'7$#'#5(: ()# '454'4K1(4&5 7)1:# &= 15 TUT :(#7 B41 U12(#:415 '454'4K1(4&5 =&$$&?4561 T&5(# U12$& :(#7 OI#$#" 8.A+5.4/3* u'3454(u 454(41$4K#: ()# B#$&%4(4#: 153 1%%#$#21(4&5: =&2 1 '&$#%0$12 3<51'4%: (21D#%(&2<C 45%$034562#:(12(: OI'&8" 8.A+5.4/3* u'32#:(u =453: 153 2#'&B#: 15< (215:$1(4&51$ &2 2&(1(4&51$ 845#(4% #5#26< &= ()# &B#21$$ :<:(#'%#5(#2 &= '1:: OI8NZ& 8.A+5.4/3* u'3:1B#u ?24(#: '&$#%0$12 3<51'4%: (21D#%(&2< :517:)&(: 153 10>4$412< =4$#: ?4() B#$&%4(< 1534530%#3 347&$# 45=&2'1(4&5l 1$:& %)#%8: =&2 0:#2 2#I0#:(#3 (#2'451(4&5 &= 1 :4'0$1(4&5 OI8"N" 8.A+5.4/3* u'3:(1(u 4: %1$$#3 1( #1%) '&$#%0$12 3<51'4%: (4'# :(#7 (& =&2' :(1(4:(4%: &5 B124&0: 1B#216# B1$0#:153 =$0%(01(4&5:C 153 (& 7#24&34%1$$< :1B# ()# :(1(# &= ()# (21D#%(&2< O&N8>$ 8.A+5.4/3* O&N8>G 8.A+5.4/3* O&N8>8 8.A+5.4/3* O&N8GO 8.A+5.4/3* u'#1:7'u %&'70(#: ()# B&$0'# &= 1 :456$# 724:' :#%(4&5 &= ()# =0$$ 45(#24&2 7&$<)#32&5 O&?YN$#? 8.A+5.4/3*

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113 "#$%&' ()*+,) -./0* 113

u'#%)154%u :#(: 07 5##3#3 7121'#(#2: =&2 ()# 7&(#5(41$ #5#26< %1$%0$1(4&5 153 2#13: 45 '15< &= ()#0:#2 :#$#%(1;$# &7(4&5: O&'-& 8.A+5.4/3* u'#26#u %&';45#: ()# 2#=#2#5%# 153 %022#5( :(20%(02#: 45(& 1 :456$# 5#? u%022#5(u :(20%(02#%&5(145456 ()# 2#=#2#5%# 1(&': =&$$&?#3 ;< ()# 1(&': &= ()# %022#5( :(20%(02# O&"'#? 8.A+5.4/3* u'#(24%u (18#: 1: 4570( ()# (241$ 34:(15%# '1(24> 153 %&'70(#: ()# '#(24% '1(24> &= 1$$ 7&::4;$# 3&(72&30%(: ;#(?##5 ()# 1(&'4% B#%(&2: 153 ()# %#5(#2 &= '1:: 0:456 ()# $1? &= %&:45#: 153 ()#=&$$&?456 =&2'0$1 =&2 ()# 34:(15%#: (& ()# %#5(#2 &= '1::E O#I&'' >.364/53 u'43#22u 4: ()# :#%&5312< #22&2 =05%(4&5 153 3#24B1(4B#: =&2 1 34:(15%# 6#&'#(2< #';#33456l 4(45%$03#: %&'7&5#5(: =2&' ()# 34:(15%# ;&053:C $&%1$ 6#&'#(2<C %)421$4(< 153 (&2:4&51$ 2#:(2145(#22&2: O#$#O#S1 >.364/53 u'454'4KGu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 1 $&? :(&216# d]eW&7(4'4K1(4&5 45 U12(#:415 %&&23451(# :71%# O#$#O#S& G+5X+;C u'454'4K#u 7#2=&2': #5#26< '454'4K1(4&5 45 U12(#:415 %&&23451(# :71%# 0:456 1 $&? :(&216# d]eW5&5$45#12 &7(4'4K1(4&5 O#$#'J" G+5X+;C u'4542&(u 7#2=&2': 15 #5#26< '454'4K1(4&5 45 (&2:4&51$ 156$# :71%# 0:456 1 $&? :(&216# d]eW5&5$45#12 &7(4'4K1(4&5 O#$#'J"1 >.364/53 u'4542&(Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 1 $&? :(&216# d]eW5&5$45#12 &7(4'4K1(4&5 45 (&2:4&51$ 156$# :71%# O#$GN"Y 8.A+5.4/3* u'4571()u 4: 1 2&0(45# =&2 =453456 ()# (24156$# :'&&()#3 077#2 153 $&?#2 ;&053: &= #1%) 1(&' (& 1:7#%4=4#3 2&&( 1(&' 0:456 1 :712:# B12415( &= ()# d#$$'15@]&23 :)&2(#:( 71() 1$6&24()' O#$'#-#I G+5X+;C u'4524643u 7#2=&2': 15 #5#26< '454'4K1(4&5 &= 24643 ;&3< 1(&' 62&07: 0:456 1 $&? :(&216# d]eW5&5$45#12 &7(4'4K1(4&5

Page 115: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

114 "#$%&' ()*+,) -./0* 114

O#$'#-#I1 >.364/53 u'4524643Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 1 $&? :(&216# d]eW5&5$45#12 &7(4'4K1(4&5 &= 24643 ;&34#: OO#I 8.A+5.4/3* u''43u 4'7$#'#5(: 1 '&34=4#3 '437&45( '#()&3 (& 13B15%# ()# 45(#621(4&5 &= 1 :#( &= =42:( &23#234==#2#5(41$ #I01(4&5: OJI&?N'" 8.A+5.4/3* OJI&'J" 8.A+5.4/3* OJI&8'?Y 8.A+5.4/3* OJI&"J'8 8.A+5.4/3* OJI(P# 8.A+5.4/3* u'&30$4u :#(: ()# '&30$4 &= ()# 45B#2:# 34:%2#(# ]&024#2 (215:=&2' &= ()# d@:7$45#:l ;:'&3qG@Lr )&$3()#:# B1$0#:C 5==(qG@Lr 12# ()# 6243 34'#5:4&5:C ;:&23#2 4: ()# &23#2 &= d@:7$45# 1772&>4'1(4&5 OJP&?(P& 8.A+5.4/3* u'&$#%0$#u %&05(: ()# '&$#%0$#:C 1::465: #1%) 1(&' (& 4(: '&$#%0$# 153 %&'70(#: ()# '1:: &= #1%)'&$#%0$# OJP(#$I 8.A+5.4/3* u'&$0453u %&'70(#: ()# '&$#%0$12 4530%#3 347&$# %&'7&5#5(: 45 ()# 72#:#5%# &= 15 #>(#251$ #$#%(24%=4#$3 OJO&$"8 8.A+5.4/3* u'&'#5(:u %&'70(#: ()# (&(1$ #$#%(24% %)126#C 347&$# 153 I013207&$# '&'#5(: =&2 ()# #5(42# :<:(#'1: 1 :0' &B#2 ()# 712(41$ %)126#:C ;&53 347&$#: 153 1(&'4% '0$(47&$# '&'#5(: OJ$"& G+5X+;C u'&5(#u 7#2=&2': 1 T&5(# U12$&aTUT %&5=&2'1(4&51$ :#12%) 0:456 #4()#2 U12(#:415 :456$# 1(&' &2(&2:4&51$ '&B# :#(: O("N"& 8.A+5.4/3* u'0(1(#u %&5:(20%(: ()# )<;243 )1'4$(&5415 =&2 1 :7#%4=4#3 454(41$ :(1(#C =451$ :(1(# 153 '0(1(4&57121'#(#2 u$1';31u

Page 116: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

115 "#$%&' ()*+,) -./0* 115

$&&I(GIN"& 8.A+5.4/3* $&#-YVJ' 8.A+5.4/3* u5#46);&2u =453: 1$$ &= ()# 5#46);&2: &= #1%) 1(&' $&<N"O 8.A+5.4/3* u5#?1('u %2#1(#: 153 3#=45#: 15 1(&' 5##3#3 =&2 ()# U12(#:415 %&&23451(#: =4$#C ;0( ?)4%) '1< 5&(72#:#5( 45 ()# &246451$ b2&(#45 Y1(1 d158 =4$# $&<"J$ G+5X+;C u5#?(&5u 7#2=&2': 15 #5#26< '454'4K1(4&5 45 U12(#:415 %&&23451(# :71%# 0:456 1 (205%1(#3 ,#?(&5'#()&3 $&<"J$1 >.364/53 u5#?(&5Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 (205%1(#3 ,#?(&5&7(4'4K1(4&5 45 U12(#:415 %&&23451(# :71%# $&<"J$D 8.A+5.4/3* u5#?(&5Ju 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# :712:# '1(24> X#::415 #$#'#5(: =&2 (205%1(#3,#?(&5 &7(4'4K1(4&5 45 U12(#:415 %&&23451(# :71%# $&<"'J" G+5X+;C u5#?(2&(u 7#2=&2': 15 #5#26< '454'4K1(4&5 45 (&2:4&51$ 156$# :71%# 0:456 1 (205%1(#3 ,#?(&5%&5D061(# 62134#5( '#()&3 $&<"'J"1 >.364/53 u5#?(2&(Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 (205%1(#3 ,#?(&5%&5D061(# 62134#5( &7(4'4K1(4&5 45 (&2:4&51$ 156$# :71%# $&<"'J"D 8.A+5.4/3* u5#?(2&(Ju 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# :712:# '1(24> X#::415 #$#'#5(: =&2 (205%1(#3,#?(&5 &7(4'4K1(4&5 45 (&2:4&51$ 156$# :71%# $&Q"N'- 8.A+5.4/3* u5#>(126u =453: ()# 5#>( 050:#3 %&''153 $45# 1260'#5( 153 2#(025: 4( 45 ()# 4570( %)121%(#2 :(2456 $&Q""&Q" >.364/53 u5#>((#>(u =453: 153 2#(025: ()# $&%1(4&5 &= ()# =42:( 5&5@;$158 %)121%(#2 ?4()45 15 4570( (#>( :(2456lK#2& 4: 2#(025#3 4= 5& :0%) %)121%(#2 4: =&053

Page 117: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

116 "#$%&' ()*+,) -./0* 116

$J'ONP >.364/53 u5&2'1$u 6#5#21(#: 1 2153&' 50';#2 =2&' 1 5&2'1$ e10::415 34:(24;0(4&5 ?4() 1 '#15 &= K#2& 153 1B12415%# &= &5# $(?VN8& 8.A+5.4/3* u50%;1:#u ;04$3: ()# :43# %)145 =&2 1 :456$# 50%$#&(43# ;1:# 45 (#2': &= 45(#251$ %&&23451(#: $(??YN#$ 8.A+5.4/3* u50%%)145u ;04$3: 07 ()# 45(#251$ %&&23451(#: =&2 1 50%$#4% 1%43 :#I0#5%# =2&' ()# :0612 (<7#C;1%8;&5# 153 6$<%&:434% (&2:4&51$ B1$0#: $(?P&#? G+5X+;C u50%$#4%u ;04$3: ()# 45(#251$ 153 U12(#:415 %&&23451(#: &= 1 7&$<50%$#&(43# =2&' 50%$#4% 1%43:#I0#5%# 153 (&2:4&51$ 156$# B1$0#: =&2 ()# 50%$#4% 1%43 ;1%8;&5# 153 :43# %)145: $(OV&' >.364/53 u50';#2u %&5B#2(: 1 (#>( 50'#21$ 45(& 15 45(#6#2 B1$0#l ()# 4570( :(2456 '0:( %&5(145 &5$< 50'#24%%)121%(#2: $(O&'NP 8.A+5.4/3* u50'#21$u %&5B#2(: 15 4570( 45(#6#2 50';#2 45(& ()# %&22#:7&53456 246)(@ &2 $#=(@D0:(4=4#3 (#>(50'#21$ $(O-'NI 8.A+5.4/3* u50'6213u %&'70(#: ()# 62134#5( &= ()# &;D#%(4B# =05%(4&5 u=B1$0#u ?4() 2#:7#%( (& U12(#:415%&&23451(#: &= ()# 1(&': B41 1 (?&@:43#3 50'#24%1$ 34==#2#5(41(4&5 J?ZO 8.A+5.4/3* u&%B'u 4: 15 &7(4'1$$< %&534(4&5#3 B1241;$# '#(24% 5&5$45#12 &7(4'4K1(4&5 2&0(45# ?4()&0( $45#:#12%)#: JPIN"O 8.A+5.4/3* u&$31('u 6#( ()# U12(#:415 %&&23451(#: =&2 15 1(&' =2&' ()# b2&(#45 Y1(1 d158 =4$#C ()#5 1::465: ()#1(&' (<7# 153 1(&'4% %&55#%(4B4(4#: JG&$&$I 8.A+5.4/3* u&7#5#53u &7#5: 1 =4$# &5 1 ]&2(215 054( :0%) ()1( ()# 7&:4(4&5 4: :#( (& ()# ;&((&' =&2 177#53456 (&()# #53 &= ()# =4$#

Page 118: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

117 "#$%&' ()*+,) -./0* 117

JG"#O#S1 >.364/53 u&7(4'4KGu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 &7(4'1$$< %&534(4&5#3B1241;$# '#(24% &7(4'4K1(4&5 45 U12(#:415 %&&23451(# :71%# JG"#O#S& G+5X+;C u&7(4'4K#u 7#2=&2': #5#26< '454'4K1(4&5 45 U12(#:415 %&&23451(# :71%# 0:456 15 &7(4'1$$<%&534(4&5#3 B1241;$# '#(24% '#()&3 JG"#'J" G+5X+;C u&7(42&(u 7#2=&2': 15 #5#26< '454'4K1(4&5 45 (&2:4&51$ 156$# :71%# 0:456 15 &7(4'1$$< %&534(4&5#3B1241;$# '#(24% '#()&3 JG"#'J"1 >.364/53 u&7(42&(Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 &7(4'1$$< %&534(4&5#3B1241;$# '#(24% &7(4'4K1(4&5 45 (&2:4&51$ 156$# :71%# JG"'#-#I G+5X+;C u&7(24643u 7#2=&2': 15 #5#26< '454'4K1(4&5 &= 24643 ;&3< 1(&' 62&07: 0:456 15 &7(4'1$$<%&534(4&5#3 B1241;$# '#(24% '#()&3 JG"'#-#I1 >.364/53 u&7(24643Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 &7(4'1$$< %&534(4&5#3B1241;$# '#(24% &7(4'4K1(4&5 &= 24643 ;&34#: JG"8NZ& 8.A+5.4/3* u&7(:1B#u 4: 0:#3 ;< ()# &7(4'4K#2: (& ?24(# 4'(#2'#341(# %&&23451(#: 153 &()#2 2#$#B15(45=&2'1(4&5l 1$:& %)#%8: =&2 0:#2 2#I0#:(#3 (#2'451(4&5 &= 15 &7(4'4K1(4&5 J'V#"NP 8.A+5.4/3* u&2;4(1$u =453: 153 &26154K#: $4:(: &= 1(&': 45 1 74:<:(#'C ;&53: %&55#%(456 74:<:(#' 1(&': 153(&2:4&5: ?)&:# (?& %#5(21$ 1(&': 12# ;&() 74:<:(#' 1(&': J'#&$" 8.A+5.4/3* u&24#5(u %&'70(#: 1 :#( &= 2#=#2#5%# U12(#:415 %&&23451(#: 45 :(153123 &24#5(1(4&5 =&2 #1%) 24643;&3< 1(&' 62&07 J'"YJ- 8.A+5.4/3* u&2()&6u 7#2=&2': 15 &2()&6&51$4K1(4&5 &= 15 4570( '1(24> B41 ()# '&34=4#3 e21'@W%)'43( 1$6&24()'

Page 119: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

118 "#$%&' ()*+,) -./0* 118

JZ&'PNG 8.A+5.4/3* u&B#2$17u %&'70(#: ()# &B#2$17 =&2 (?& 7121$$#$ 7@&2;4(1$: 64B#5 ()# 1(&'4% 50';#2: 153 34:(15%# &=:#7121(4&5 GN'NORS& 8.A+5.4/3* u7121'<K#u 7245(: ()# =&2%# =4#$3 7121'#(#2: 0:#3 45 ()# %&'70(1(4&5 &= #1%) &= ()# 7&(#5(41$ #5#26<(#2': GN88V 8.A+5.4/3* GN88VD 8.A+5.4/3* GN88VL 8.A+5.4/3* GN88VW 8.A+5.4/3* GN88V[ 8.A+5.4/3* GN88> 8.A+5.4/3* GN88>D 8.A+5.4/3* GN88>L 8.A+5.4/3* GN88>W 8.A+5.4/3* GN88>[ 8.A+5.4/3* GN"Y G+5X+;C u71()u $&%1(#: 1 :#24#: &= :(20%(02#: #I01$$< :71%#3 1$&56 1 %&5=&2'1(4&51$ 71()?1< %&55#%(456 ()#4570( 2#1%(15( 153 72&30%( :(20%(02#:l 1 :#24#: &= %&5:(2145#3 &7(4'4K1(4&5: &2()&6&51$ (& ()# 71() 4:3&5# B41 _162156415 '0$(47$4#2: GN"Y1 >.364/53 GN"YG$" 8.A+5.4/3* u71()75(u =453: 1 :(20%(02# &5 ()# :<5%)2&5&0: (215:4( 71() ?4() ()# :7#%4=4#3 71() B1$0# u(u GN"Y8?N$ 8.A+5.4/3* u71():%15u '18#: 1 :%15 &= 1 :<5%)2&5&0: (215:4( 71()?1< ;< %&'70(456 :(20%(02#: 153 #5#264#: =&2:7#%4=4% 71() B1$0#: GN"YZNP 8.A+5.4/3*

Page 120: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

119 "#$%&' ()*+,) -./0* 119

u71()B1$u %&'70(#: ()# :<5%)2&5&0: (215:4( 71() B1$0# =&2 ()# :7#%4=4#3 :(20%(02# GIVN"O 8.A+5.4/3* u73;1('u 133: 15 1(&' (& ()# b2&(#45 Y1(1 d158 =4$# GIVQRS G+5X+;C u73;><Ku (18#: 1: 4570( 1 b2&(#45 Y1(1 d158 =4$# 153 ()#5 %&5B#2(: (& 153 ?24(#: &0( 1 U12(#:415%&&23451(#: =4$# 153C =&2 ;4&7&$<'#2:C 1 :#I0#5%# =4$# G#NP"&' 8.A+5.4/3* u741$(#2u =42:( '&34=4#: ;&53 $#56(): 153 =&2%# %&5:(15(: 1%%&23456 (& ()# :(153123 ;&53 :$&7#7121'#(#2: 153 ()# ;&53 &23#2 B1$0#: :(&2#3 45 u757$ul 1$:& 1$(#2: :&'# J@=&$3 (&2:4&51$ 7121'#(#2:;1:#3 &5 ()# ;&53@&23#2 w ;#(1 '1(24> G#OJZ& 8.A+5.4/3* u74'&B#u 2&(1(#: ()# B#%(&2 ;#(?##5 1(&': u$4:(FGHu 153 u$4:(FJHu :& ()1( 1(&' G 4: 1( ()# &24645 1531(&' J 1$&56 ()# >@1>4:l ()# 1(&': 3#=45456 ()# 2#:7#%(4B# 7$15#: 12# 1$:& '&B#3 153 ()#42 ;&53$#56(): 5&2'1$4K#3 G#GPN$& 8.A+5.4/3* u747$15#u :#$#%(: ()# ()2## 1(&': ?)4%) :7#%4=< ()# 7$15# 7#27#534%0$12 (& #1%) 7@&2;4(1$l ()# %022#5(B#2:4&5 ?4$$ =14$ 45 %#2(145 :4(01(4&5:C 45%$03456 8#(#5#:C 1$$#5#:C 153 4:&$1(#3 &2 13D1%#5( (247$# ;&53: G#8?> 8.A+5.4/3* u74:%=u 7#2=&2': 15 :%= '&$#%0$12 &2;4(1$ %1$%0$1(4&5 =&2 ()# 74:<:(#' 0:456 1 '&34=4#3 b124:#2@b122@b&7$# '#()&3 G#"#P" 8.A+5.4/3* u74(4$(u %1$%0$1(#: =&2 #1%) 74;&53 ()# 21(4& &= ()# 1%(01$ 7@&2;4(1$ &B#2$17 45(#621$ (& ()# 43#1$ &B#2$174= ()# :1'# &2;4(1$: ?#2# 7#2=#%($< 7121$$#$ GPN?& 8.A+5.4/3* u7$1%#u =453: ()# 72&;# :4(#: ;< 70((456 ()# 72&;# :7)#2# (156#5( (& #1%) (247$# &= 5#46);&2456 1(&': GJPN'-'G 8.A+5.4/3* u7&$12627u 6#5#21(#: '#';#2: &= ()# 7&$124K1(4&5 62&07 &= #1%) 1(&' 153 :#7121(# $4:(: &= ()# G@JC G@L 153 G@M 62&07 %&55#%(4B4(4#: GJPN'#S& G+5X+;C

Page 121: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

120 "#$%&' ()*+,) -./0* 120

u7&$124K#u %&'70(#: ()# '&$#%0$12 7&$124K1;4$4(< ;< 177$<456 15 #>(#251$ =4#$3 1$&56 #1%) 1>4:=&$$&?#3 ;< 3416&51$4K1(4&5 &= ()# 2#:0$(456 7&$124K1;4$4(< (#5:&2 GJPRO&' 8.A+5.4/3* u7&$<'#2u (#:(: =&2 ()# 72#:#5%# &= 15 45=454(# 7&$<'#2 #>(#53456 1%2&:: 7#24&34% ;&053124#: GJPRG 8.A+5.4/3* u7&$<7u 4: 1 7&$<5&'41$ 72&30%( 2&0(45# ()1( '0$(47$4#: (?& 1$6#;214% =&2': GJ"$'- >.364/53 GJ"J>> 8.A+5.4/3* u7&(&==u %$#12: ()# =&2%#=4#$3 3#=454(4&5 ;< (025456 &== ()# 0:# &= #1%) &= ()# 7&(#5(41$ #5#26< =05%(4&5: GJ<&' 8.A+5.4/3* u7&?#2u 0:#: ()# 7&?#2 '#()&3 ?4() 3#=$1(4&5 (& %&'70(# ()# =#? $126#:( #46#5B1$0#: 153#46#5B#%(&2: &= 1 :<''#(24% '1(24> G'&?#8& >.364/53 u72#%4:#u =453: 1 '1%)45# 72#%4:4&5 B1$0# 1: :#$#%(#3 ;< ()# 4570( 1260'#5(E FGH ()# :'1$$#:( 7&:4(4B#=$&1(456 7&45( B1$0#C FJH ()# :'1$$#:( 2#$1(4B# =$&1(456 7&45( :71%456C FLH ()# $126#:( 2#$1(4B# =$&1(4567&45( :71%456 G'&?J$I 8.A+5.4/3* u72#%&53u :&$B#: 1 :4'7$4=4#3 B#2:4&5 &= ()# ,#?(&5 #I01(4&5: T: o 2C 153 0:#: ()# 2#:0$( (&72#%&534(4&5 $45#12 %&5D061(# 62134#5( 4(#21(4&5: &5 ()# =0$$ ,#?(&5 #I01(4&5: 45 u(5:&$B#u G'&88('& 8.A+5.4/3* u72#::02#u 0:#: ()# 45(#251$ B4241$ (& =453 ()# 72#::02# 45 1 7#24&34% ;&> 153 '145(145: 1 %&5:(15(3#:42#3 72#::02# ;< :%1$456 ()# %&&23451(#: B41 %&07$456 (& 15 #>(#251$ %&5:(15( 72#::02# ;1() G'O%&R 8.A+5.4/3* u=4#$3u 712:#: 1 (#>( :(2456 (& #>(21%( 8#<?&23: 2#$1(#3 (& =&2%# =4#$3 7&(#5(41$ #5#26< =05%(4&51$ =&2':153 %&5:(15(: G'J?YN#$ 8.A+5.4/3* u72&%)145u ;04$3: 07 ()# 45(#251$ %&&23451(#: =&2 15 1'45& 1%43 :#I0#5%# =2&' ()# 7)4C 7:4C &'#61153 %)4 B1$0#:

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121 "#$%&' ()*+,) -./0* 121

G'Je?" 8.A+5.4/3* G'JOJ 8.A+5.4/3* u72&'&u ?24(#: 1 :)&2( '#::16# %&5(145456 45=&2'1(4&5 1;&0( ()# *+,-./ B#2:4&5 50';#2 153 ()#%&7<246)( 5&(4%# G'JG&'"R >.364/53 u72&7#2(<u (18#: (?& 4570( :517:)&( =21'#: 153 %&'70(#: ()# B1$0# &= ()# 72&7#2(< =&2 ?)4%) ()#%&22#$1(4&5 =05%(4&5 4: ;#456 1%%0'0$1(#3 G'JGRS& 8.A+5.4/3* u72&7<K#u =453: 153 7245(: ()# (&(1$ %)126#C 347&$# '&'#5( %&'7&5#5(:C 21340: &= 6<21(4&5 153'&'#5(: &= 45#2(41 G'J8#I& 8.A+5.4/3* u72&:43#u ;04$3: ()# :43# %)145 =&2 1 :456$# 1'45& 1%43 2#:430# 45 (#2': &= 45(#251$ %&&23451(#: G'J"&#$ G+5X+;C u72&(#45u ;04$3: ()# 45(#251$ 153 U12(#:415 %&&23451(#: &= 1 7&$<7#7(43# =2&' 1'45& 1%43 :#I0#5%#153 (&2:4&51$ 156$# B1$0#: =&2 ()# 7#7(43# ;1%8;&5# 153 :43# %)145: G'"N'? 8.A+5.4/3* u72(12%u ?24(#: &0( 1 :#( &= U12(#:415 %&&23451(#: =&2 1$$ 1%(4B# 1(&': 45 ()# *+,-./ `kj 12%)4B#=&2'1( G'"?N' 8.A+5.4/3* u72(%12u ?24(#: &0( 1 :#( &= U12(#:415 %&&23451(#: =&2 1$$ 1%(4B# 1(&': 45 ()# \%%#$#2<: +5:46)(++ A%12=&2'1( G'"IR$ 8.A+5.4/3* u72(3<5u ?24(#: &0( ()# 45=&2'1(4&5 5##3#3 (& 2#:(12( 1 '&$#%0$12 3<51'4%: (21D#%(&2< (& 15 #>(#251$34:8 =4$# G'"&'' 8.A+5.4/3* u72(#22u ?24(#: &0( 1 :#( &= %&&23451(#: (& 1 34:8 =4$# 724&2 (& 1;&2(456 &5 1 :#24&0: #22&2 G'"#$" 8.A+5.4/3* u72(45(u ?24(#: &0( 1 :#( &= j@'1(24> 45(#251$ %&&23451(#: (& 15 #>(#251$ 34:8 =4$#

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122 "#$%&' ()*+,) -./0* 122

G'"OJPD G+5X+;C u72('&$Ju ?24(#: &0( 1 :#( &= %&&23451(#: 45 W<;<$ TV_J =&2'1( (& 15 #>(#251$ 34:8 =4$# G'"GIV 8.A+5.4/3* u72(73;u ?24(#: &0( 1 :#( &= b2&(#45 Y1(1 d158 %&&23451(#: (& 15 #>(#251$ 34:8 =4$# G'"G'O 8.A+5.4/3* u72(72'u ?24(#: &0( 1 =&2'1((#3 $4:(456 &= ()# 3#=10$( :#( &= 7&(#5(41$ #5#26< 7121'#(#2: =&2 1 =&2%#=4#$3 G'"8&K 8.A+5.4/3* u72(:#Iu ?24(#: &0( 1 ;4&7&$<'#2 :#I0#5%# (& 15 #>(#251$ 34:8 =4$# ?4() GN 2#:430#: 7#2 $45# 15334:(45%( %)145: :#7121(#3 ;< ;$158 $45#: G'"QOJP 8.A+5.4/3* u72(>'&$u ?24(#: &0( 1 :#( &= U12(#:415 %&&23451(#: =&2 1$$ 1%(4B# 1(&': 45 1 :4'7$#C 6#5#24% `kj=&2'1( &246451$$< 0:#3 ;< ()# `TV_ 72&621' G'"QRS 8.A+5.4/3* u72(><Ku ?24(#: &0( 1 :#( &= U12(#:415 %&&23451(#: (& 15 #>(#251$ 34:8 =4$# G88 G+5X+;C u7::u 4'7$#'#5(: ()# 7&(#5(41$ :'&&()456 7$0: :#12%) '#()&3 =&2 6$&;1$ &7(4'4K1(4&5 45 U12(#:415%&&23451(# :71%# ?4() $&%1$ :#12%)#: 7#2=&2'#3 45 U12(#:415 &2 (&2:4&51$ :71%# G881 >.364/53 u7::Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( 302456 bWW 6$&;1$ &7(4'4K1(4&5 45U12(#:415 %&&23451(# :71%# G88D 8.A+5.4/3* u7::Ju 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# :712:# '1(24> X#::415 #$#'#5(: 302456 bWW 6$&;1$&7(4'4K1(4&5 45 U12(#:415 %&&23451(# :71%# G88'-I1 >.364/53 u7::263Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( 302456 bWW 6$&;1$ &7(4'4K1(4&5&B#2 24643 ;&34#: G88'#-#I G+5X+;C

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123 "#$%&' ()*+,) -./0* 123

u7::24643u 4'7$#'#5(: ()# 7&(#5(41$ :'&&()456 7$0: :#12%) '#()&3 =&2 6$&;1$ &7(4'4K1(4&5 =&2 1 :#( &=24643 ;&34#: G88'J" G+5X+;C u7::2&(u 4'7$#'#5(: ()# 7&(#5(41$ :'&&()456 7$0: :#12%) '#()&3 =&2 6$&;1$ &7(4'4K1(4&5 45 (&2:4&51$:71%# G88'J"1 >.364/53 u7::2&(Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( 302456 bWW 6$&;1$ &7(4'4K1(4&545 (&2:4&51$ :71%# G88<'#"& 8.A+5.4/3* G"#$?R >.364/53 GS&Q"' 8.A+5.4/3* u7K#>(2u 4: 1 7&$<5&'41$ #>(217&$1(4&5 2&0(45# 0:#3 302456 d0$42:%)@W(&#2 45(#621(4&5 &= &234512<34==#2#5(41$ #I01(4&5: K'>N?" 8.A+5.4/3* uI2=1%(u 7#2=&2': X&0:#)&$3#2 (215:=&2'1(4&5: ?4() %&$0'5 74B&(456 F&7(4&51$H (& %&'70(# 1 h/=1%(&24K1(4&5 &= ()# ' ;< 5 '1(24> 1l ()# 2&0(45# 3#(#2'45#: 15 &2()&6&51$ '1(24> IC 1 7#2'0(1(4&5'1(24> 7C 153 15 077#2 (217#K&431$ '1(24> 2 ?4() 3416&51$ #$#'#5(: &= 5&545%2#1:456 '1654(03#C :0%)()1( 1w7 o Iw2l ()# X&0:#)&$3#2 (215:=&2'1(4&5 =&2 %&$0'5 8C 8 o GCJCAAAC'45F'C5HC 4: &= ()# =&2' K'8JPZ& 8.A+5.4/3* uI2:&$B#u :&$B#: 1w>o; 153 3w>oS 45 ()# $#1:( :I012#: :#5:#l 5&2'1$$< 0:#3 45 %&';451(4&5 ?4()2&0(45# uI2=1%(u (& :&$B# $#1:( :I012#: 72&;$#': K(N">#" 8.A+5.4/3* uI01(=4(u 0:#: 1 I01(#254&5@;1:#3 '#()&3 (& 1%)4#B# ()# ;#:( =4( :07#27&:4(4&5 &= (?& :#(: &=%&&23451(#: 'NI#NP G+5X+;C u21341$u =453: ()# 21341$ 34:(24;0(4&5 =05%(4&5 =&2 1 :7#%4=4#3 7142 &= 1(&' (<7#: B41 151$<:4: &= 1 :#( &=%&&23451(# =21'#: 'N$IJO >.364/53 u2153&'u 6#5#21(#: 1 2153&' 50';#2 &5 qSCGr B41 1 $&56 7#24&3 6#5#21(&2 30# (& _[.%0<#2 ?4()d1<:@Y02)1' :)0==$# 'N$Z&? 8.A+5.4/3*

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124 "#$%&' ()*+,) -./0* 124

u215B#%u 6#5#21(#: 1 054( B#%(&2 45 L@34'#5:4&51$ :71%# ?4() 054=&2'$< 34:(24;0(#3 2153&'&24#5(1(4&5 'N""P& 8.A+5.4/3* u21(($#u 4'7$#'#5(: ()# =42:( 7&2(4&5 &= ()# 21(($# 1$6&24()' ;< %&22#%(456 1(&'4% 7&:4(4&5: 153 )1$=@:(#7 B#$&%4(4#: (& '145(145 45(#21(&'4% 34:(15%# 153 1;:&$0(# :71(41$ %&5:(2145(: 'N""P&D 8.A+5.4/3* u21(($#Ju 4'7$#'#5(: ()# :#%&53 7&2(4&5 &= ()# 21(($# 1$6&24()' ;< %&22#%(456 ()# =0$$@:(#7 B#$&%4(4#:45 &23#2 (& '145(145 45(#21(&'4% 34:(15%# %&5:(2145(: '&NIVP% 8.A+5.4/3* u2#13;$8u 2#13: 45 1 :#( &= :517:)&( =21'#: 153 (215:=#2: ()# B1$0#: (& 45(#251$ 1221<: =&2 0:# 45 ()#%&'70(1(4&5 &= (4'# %&22#$1(4&5 =05%(4&5: '&NIIR$ 8.A+5.4/3* u2#133<5u 6#( ()# 7&:4(4&5:C B#$&%4(4#: 153 1%%#$#21(4&5: =&2 1 '&$#%0$12 3<51'4%: 2#:(12( =2&' 15#>(#251$ 34:8 =4$# '&NI#$" 8.A+5.4/3* u2#1345(u 6#(: 1 :#( &= j@'1(24> 45(#251$ %&&23451(#: =2&' 15 #>(#251$ =4$# '&NIOJPD 8.A+5.4/3* u2#13'&$Ju 6#(: 1 :#( &= W<;<$ TV_J %&&23451(#: =2&' 15 #>(#251$ 34:8 =4$# '&NIGIV 8.A+5.4/3* u2#1373;u 6#(: 1 :#( &= b2&(#45 Y1(1 d158 %&&23451(#: =2&' 15 #>(#251$ 34:8 =4$# '&NIG'O 8.A+5.4/3* u2#1372'u 72&%#::#: ()# 7&(#5(41$ #5#26< 7121'#(#2 =4$# 45 &23#2 (& 3#=45# ()# 3#=10$( =&2%# =4#$37121'#(#2: '&NI8&K 8.A+5.4/3* u2#13:#Iu 6#(: 1 ;4&7&$<'#2 :#I0#5%# %&5(145456 &5# &2 '&2# :#7121(# %)145: =2&' 15 #>(#251$ =4$#l1$$ $45#: %&5(145456 :#I0#5%# '0:( ;#645 ?4() ()# :(12(456 :#I0#5%# 50';#2C ()# 1%(01$ :#I0#5%# 4:2#13 =2&' :0;:#I0#5( 5&5;$158 %)121%(#2: '&NIQRS 8.A+5.4/3*

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125 "#$%&' ()*+,) -./0* 125

u2#13><Ku 6#(: 1 :#( &= U12(#:415 %&&23451(#: =2&' 15 #>(#251$ 34:8 =4$# '&>#$& 8.A+5.4/3* u2#=45#u 7#2=&2': '454'4K1(4&5 &= ()# 1(&'4% %&&23451(#: &= 15 454(41$ %203# #';#33#3 34:(15%#6#&'#(2< :(20%(02# B#2:0: ()# ;&053C %)421$4(<C 7$15124(< 153 (&2:4&51$ #22&2 =05%(4&5: '&P&N8&OJ$#"J' 8.A+5.4/3* '&GP#?N 8.A+5.4/3* u2#7$4%1u 3#%43#: ;#(?##5 4'16#: 153 2#7$4%1(#: =&2 6#5#21(4&5 &= 7#24&34% ;&05312< %&534(4&5:C 153:#(: ()# %#$$ 2#7$4%1(# $4:( 4= ()# 2#7$4%1(#: '#()&3 4: (& ;# 0:#3 '>#$I&Q 8.A+5.4/3* u2=453#>u =453: 4534%#: =&2 #1%) '0$(47&$# :4(# =&2 0:# 45 %&'70(456 2#1%(4&5 =4#$3 #5#26#(4%: '-I8'?Y 8.A+5.4/3* '-I8"&G 8.A+5.4/3* u263:(#7u 7#2=&2': 1 :456$# '&$#%0$12 3<51'4%: (4'# :(#7 =&2 1 24643 ;&3< %1$%0$1(4&5 '#VJ8JO& 8.A+5.4/3* u24;&:&'#u (215:$1(#: 1 7&$<7#7(43# :(20%(02# 45 b2&(#45 Y1(1 d158 =&2'1( (& 1 U12(#:415 %&&23451(#=4$# 153 :#I0#5%# =4$# '#-#IQRS 8.A+5.4/3* u24643><Ku %&'70(#: U12(#:415 %&&23451(#: =&2 1 24643 ;&3< 62&07 B41 2&(1(4&5 153 (215:$1(4&5 &=2#=#2#5%# %&&23451(#: '#$-8 8.A+5.4/3* u2456:u :#12%)#: ()# :(20%(02# =&2 :'1$$ 2456: 153 :(&2#: ()#42 %&5:(4(0#5( 1(&': 'O8&''J' 8.A+5.4/3* u2':#22&2u %&'70(#: ()# '1>4'0' 1;:&$0(# 3#B41(4&5 153 ()# 2': 3#B41(4&5 =2&' ()# 34:(15%#;&053:C 153 ()# 50';#2 153 2': B1$0# &= ()# 34:(15%# 2#:(2145( B4&$1(4&5: 'O8>#" >.364/53 u2':=4(u %&'70(#: ()# 2': =4( &= (?& %&&23451(# :#(: 'J"N$- >.364/53

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126 "#$%&' ()*+,) -./0* 126

'J"?Y&?% >.364/53 u2&(%)#%8u (#:(: 1 :7#%4=4#3 %153431(# 2&(1(1;$# ;&53 =&2 ()# 34:1$$&?#3 %1:# ?)#2# 451%(4B# 1(&':12# =&053 &5 ;&() :43#: &= ()# %153431(# ;&53 'J"&(P&' 8.A+5.4/3* u2&(#0$#2u %&'70(#: 1 :#( &= .0$#2 156$# B1$0#: %&5:4:(#5( ?4() 15 4570( 2&(1(4&5 '1(24> 'J"P#8" 8.A+5.4/3* u2&($4:(u 6#5#21(#: ()# '454'0' $4:( &= 1$$ ()# 1(&': $<456 (& &5# :43# &= 1 7142 &= 342#%($< ;&53#31(&':l &7(4&51$$< =453: ()# '454'1$ $4:( ;< %)&&:456 ()# :43# ?4() =#?#2 1(&': 'J"ON" 8.A+5.4/3* u2&('1(u =453: ()# 2&(1(4&5 '1(24> ()1( %&5B#2(: =2&' ()# $&%1$ %&&23451(# :<:(#' (& ()# 6$&;1$ =21'#1( 1 '0$(47&$# :4(# 'J"GJP& 8.A+5.4/3* u2&(7&$#u %&5:(20%(: ()# :#( &= 1(&'4% '0$(47&$#: 45 ()# 6$&;1$ =21'# ;< 177$<456 ()# %&22#%( 2&(1(4&5'1(24> =&2 #1%) :4(# 'J"'-I 8.A+5.4/3* u2&(263u =453: ()# 2&(1(4&5 '1(24> =&2 1 24643 ;&3< 30# (& 1 :456$# :(#7 &= 3<51'4%: 'J"8#"& 8.A+5.4/3* u2&(:4(#u %&'70(#: ()# 1(&'4% '0$(47&$#: 1( 1 :7#%4=4#3 :4(# 45 ()# 6$&;1$ %&&23451(# =21'# ;<177$<456 1 2&(1(4&5 '1(24> 8NIIP& G+5X+;C u:133$#u =453: 1 (215:4(4&5 :(1(# ;#(?##5 (?& %&5=&2'1(4&51$ '454'1 0:456 1 %&';451(4&5 &= 43#1:=2&' ()# :<5%)2&5&0: (215:4( FX1$62#5@_47:%&';H 153 I01321(4% 71() Fd#$$@U246)(&5H '#()&3: 8NIIP&1 >.364/53 u:133$#Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 (215:4(4&5 :(1(# &7(4'4K1(4&5 8NIIP&8 8.A+5.4/3* u:133$#:u %&5:(20%(: %42%$#:C %&5B#> #36#: 153 :133$# =1%#: 8?N$ G+5X+;C

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127 "#$%&' ()*+,) -./0* 127

u:%15u 1((#'7(: (& =453 1$$ ()# $&%1$ '454'1 &5 1 7&(#5(41$ #5#26< :02=1%# B41 15 4(#21(4B# :#24#: &=$&%1$ :#12%)#: 8?N$1 >.364/53 u:%15Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( 302456 #>7$&21(4&5 &= 1 7&(#5(41$#5#26< :02=1%# B41 4(#21(4B# $&%1$ :#12%) 8?N$D 8.A+5.4/3* u:%15Ju 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# :712:# '1(24> X#::415 #$#'#5(: 302456 #>7$&21(4&5 &=1 7&(#5(41$ #5#26< :02=1%# B41 4(#21(4B# $&%1$ :#12%) 8IN'&N 8.A+5.4/3* u:312#1u &7(4&51$$< :%1$#: ()# 1(&'4% =24%(4&5 %&#==4%4#5( &= #1%) 1(&' ;1:#3 &5 4(: 1%%#::4;$# :02=1%#12#1 8I8"&G 8.A+5.4/3* u:3:(#7u 7#2=&2': 1 :456$# :(&%)1:(4% 3<51'4%: (4'# :(#7 B41 1 B#$&%4(< c#2$#( 45(#621(4&5 1$6&24()' 8I"&'O 8.A+5.4/3* u:3(#2'u 6#(: =24%(4&51$ 153 2153&' =&2%# (#2': 5##3#3 (& 0731(# 7&:4(4&5: 153 B#$&%4(4#: B41:(&%)1:(4% 3<51'4%: 8&N'?Y 8.A+5.4/3* u:#12%)u 4: 1 05434'#5:4&51$ $45# :#12%) ;1:#3 07&5 7121;&$4% #>(217&$1(4&5 153 %0;4% 45(#27&$1(4&50:456 ;&() =05%(4&5 153 62134#5( B1$0#:l 4= =&2%#3 (& :#12%) 45 15 07)4$$ 342#%(4&5C 2#(025 4: 1=(#2 ()#454(41$ :(#7 8&"N??&P&'N"#J$ 8.A+5.4/3* 8&"N"JO#? 8.A+5.4/3* 8&"N"JO"RG&8 8.A+5.4/3* 8&"?YN'-& 8.A+5.4/3* 8&"?J$$&?"#Z#"R 8.A+5.4/3* 8&"?JJ'I#$N"&8 8.A+5.4/3* 8&"&$&'-R 8.A+5.4/3* 8&">#P& 8.A+5.4/3*

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128 "#$%&' ()*+,) -./0* 128

8&">J'?&>#&PI 8.A+5.4/3* 8&"-'NI#&$"8 8.A+5.4/3* 8&"#O& 8.A+5.4/3* u:#(4'#u 454(41$4K#: ()# #$17:#3 45(#2B1$ Ub^ (4'#2 8&"#$I(?&I 8.A+5.4/3* 8&"%&R<J'I 8.A+5.4/3* 8&"ON88 8.A+5.4/3* 8&"$NO& 8.A+5.4/3* 8&"8"&G 8.A+5.4/3* 8&"8"J'R 8.A+5.4/3* 8&""#O& 8.A+5.4/3* 8&"(GIN"&I 8.A+5.4/3* 8&"Z&PJ?#"R 8.A+5.4/3* 8YN%&(G 8.A+5.4/3* u:)18#07u 454(41$4K#: 15< )&$&5&'4% %&5:(2145(: =&2 0:# ?4() ()# 21(($# 1$6&24()' 302456 '&$#%0$123<51'4%: 8#-OJ#I >.364/53 u:46'&43u 4'7$#'#5(: 1 5&2'1$4K#3 :46'&431$ =05%(4&5 &5 ()# 45(#2B1$ qSCGrl ()# %02B#: %&55#%( FSCSH(& FGCGH 153 )1B# 1 %&&7#21(4B4(< %&5(2&$$#3 ;< ;#(1C ()#< 1772&1%) 1 :(2146)( $45# 1: ;#(1 @x S 153 6#('&2# 5&5$45#12 1: ;#(1 45%2#1:#: 8%"IR$ 8.A+5.4/3* u:8(3<5u :#53: ()# %022#5( 3<51'4%: 45=& B41 1 :&%8#( 8%"#$#" 8.A+5.4/3* u:8(454(u :#(: 07 :&%8#( %&''054%1(4&5 ?4() ()# 6217)4%1$ 0:#2 45(#2=1%# ;< :(12(456 1 g1B1 B42(01$'1%)45#C 454(41(456 1 :#2B#2C 153 $&13456 15 &;D#%( ?4() :<:(#' 45=&2'1(4&5 8%"%#PP 8.A+5.4/3* u:8(84$$u %$&:#: ()# :#2B#2 153 g1B1 B42(01$ '1%)45#

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129 "#$%&' ()*+,) -./0* 129

8%"JG" 8.A+5.4/3* u:8(&7(u :#53: ()# %022#5( &7(4'4K1(4&5 45=& B41 1 :&%8#( 8PN"&' 8.A+5.4/3* u:$1(#2u 4: 1 6#5#21$ 2&0(45# =&2 %&'70(456 ()# &B#2$17 45(#621$: ;#(?##5 (?& W$1(#2@(<7# &2;4(1$: 8OJJ"Y 8.A+5.4/3* u:'&&()u :#(: ()# (<7# &= :'&&()456 '#()&3 153 ()# #>(#5( &= :02=1%# 3#=&2'1(4&5 =&2 0:# ?4()7&(#5(41$ #5#26< :'&&()456 8$#>>&' G+5X+;C u:54==#2u 7#2=&2': 1 6$&;1$ #5#26< '454'4K1(4&5 0:456 1 34:%2#(# B#2:4&5 &= e24#?158[: 6$&;1$ :#12%)(21D#%(&2< 8$#>>&'1 >.364/53 u:54==#2Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 ()# W54==#2 6$&;1$&7(4'4K1(4&5 '#()&3 8JN% 8.A+5.4/3* u:&18u (18#: 1 %022#5($< 3#=45#3 :&$0(# :<:(#' 153 7$1%#: 4( 45(& 1 :&$B#5( ;&>C ?4() 2#'&B1$ &= 15<:&$B#5( '&$#%0$#: ()1( &B#2$17 ()# :&$0(# 8J'" 8.A+5.4/3* u:&2(u (18#: 15 4570( $4:( &= 45(#6#2: 153 :&2(: 4( 45(& 1:%#53456 &23#2 0:456 ()# X#17:&2( 1$6&24()' 8J'"1T 8.A+5.4/3* u:&2(GSu (18#: 15 4570( $4:( &= %)121%(#2 :(2456: 153 :&2(: 4( 45(& 1$7)1;#(4%1$ &23#2 0:456 ()# X#17:&2(1$6&24()'C 307$4%1(# B1$0#: 12# 2#'&B#3 =2&' ()# =451$ :&2(#3 $4:( 8J'"D 8.A+5.4/3* u:&2(Ju (18#: 15 4570( $4:( &= 2#1$: 153 :&2(: 4( 45(& 1:%#53456 &23#2 0:456 ()# X#17:&2( 1$6&24()'l 4(1$:& 2#(025: 1 8#< 45(& ()# &246451$ &23#2456 8J'"L 8.A+5.4/3* u:&2(Lu (18#: 15 4570( $4:( &= 45(#6#2: 153 :&2(: 4( 45(& 1:%#53456 &23#2 0:456 ()# X#17:&2( 1$6&24()'l4( 1$:& 2#(025: 1 8#< 45(& ()# &246451$ &23#2456 8J'"W 8.A+5.4/3*

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130 "#$%&' ()*+,) -./0* 130

u:&2(Mu (18#: 15 4570( $4:( &= 45(#6#2: 153 :&2(: 4( 45(& 1:%#53456 1;:&$0(# B1$0# 0:456 ()# X#17:&2(1$6&24()' 8J'"[ 8.A+5.4/3* u:&2(Nu (18#: 15 4570( $4:( &= 45(#6#2: 153 :&2(: 4( 45(& 1:%#53456 &23#2 ;1:#3 &5 #1%) B1$0# '&30$&u'u 8J'"] 8.A+5.4/3* u:&2(Ou (18#: 15 4570( $4:( &= %)121%(#2 :(2456: 153 :&2(: 4( 45(& 1$7)1;#(4%1$ &23#2 0:456 ()# X#17:&2(1$6&24()' 8J'"_ 8.A+5.4/3* u:&2(Pu (18#: 15 4570( $4:( &= %)121%(#2 :(2456: 153 :&2(: 4( 45(& 1$7)1;#(4%1$ &23#2 0:456 ()# X#17:&2(1$6&24()'l 4( 1$:& 2#(025: 1 8#< 45(& ()# &246451$ &23#2456 8J'"h 8.A+5.4/3* u:&2(Qu (18#: 15 4570( $4:( &= 45(#6#2: 153 :&2(: 4( 45(& 1:%#53456 &23#2 0:456 ()# X#17:&2( 1$6&24()'C307$4%1(# B1$0#: 12# 2#'&B#3 =2&' ()# =451$ :&2(#3 $4:( 8J'"i 8.A+5.4/3* u:&2(Ru (18#: 15 4570( $4:( &= 2#1$: 153 :&2(: 4( 45(& 1:%#53456 &23#2 0:456 ()# X#17:&2( 1$6&24()'C307$4%1(# B1$0#: 12# 2#'&B#3 =2&' ()# =451$ :&2(#3 $4:( 8GN?&>#PP G+5X+;C u:71%#=4$$u %&'70(#: ()# :02=1%# 12#1 153 B&$0'# &= 1 :(20%(02#l ()# B15 3#2 "11$:C 1%%#::4;$#@#>%$03#3C 153 %&5(1%(@2##5(215( 3#=454(4&5: 12# 1B14$1;$# 8G&?"'(O G+5X+;C u:7#%(20'u %&'70(#: 1 7&?#2 :7#%(20' &B#2 1 ?1B#$#56() 2156# =2&' ()# B#$&%4(< 10(&%&22#$1(4&51: 1 =05%(4&5 &= (4'# 8K(N'& 8.A+5.4/3* u:I012#u 4: 1 5&5$45#12 $#1:( :I012#: 2&0(45# 3#24B#3 =2&' ()# +TW_ 2&0(45# dU_W] 153 T&2#[:T4571%8 2&0(45# _TY./l ()# g1%&;415 4: #:(4'1(#3 ;< =454(# 34==#2#5%#: 153 ;&053: %15 ;# :7#%4=4#3=&2 ()# B1241;$#: (& ;# 2#=45#3 8(>>#Q 8.A+5.4/3* u:0==4>u %)#%8: 1 =4$#51'# =&2 ()# 72#:#5%# &= 15 #>(#5:4&5C 153 177#53: 15 #>(#5:4&5 4= 5&5# 4: =&053 8(G&'GJ8& G+5X+;C

Page 132: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

131 "#$%&' ()*+,) -./0* 131

u:07#27&:#u (18#: 7142: &= :(20%(02#: 153 :07#24'7&:#: ()#' 45 ()# &7(4'1$ $#1:( :I012#: :#5:#l 4(?4$$ 1((#'7( (& '1(%) 1$$ 1(&' 7142: &2 &5$< ()&:# :7#%4=4#3 ;< ()# 0:#2 8('>N?& 8.A+5.4/3* u:02=1%#u 7#2=&2': 15 151$<(4%1$ %&'70(1(4&5 &= ()# ?#46)(#3 :&$B#5( 1%%#::4;$# :02=1%# 12#1 &= #1%)1(&' 153 ()# =42:( 3#24B1(4B#: &= ()# 12#1 ?4() 2#:7#%( (& U12(#:415 %&&23451(#: 8('>N"JO 8.A+5.4/3* u:02=1(&'u 7#2=&2': 15 151$<(4%1$ %&'70(1(4&5 &= ()# :02=1%# 12#1 &= 1 :7#%4=4#3 1(&'l 1 :4'7$4=4#3B#2:4&5 &= u:02=1%#u 8<#"?Y 8.A+5.4/3* u:?4(%)u :#(: ()# %&#==%4#5(: 0:#3 ;< ()# =4=() 153 :#B#5() &23#2 7&$<5&'41$ :?4(%)456 =05%(4&5: =&2:7)#24%1$ %0(&==: 8RVRPQRS G+5X+;C u:<;<$><Ku (18#: 1: 4570( 1 W<;<$ TV_J %&&23451(#: =4$#C %&5B#2(: (& 153 ()#5 ?24(#: &0( U12(#:415%&&23451(#: 8ROO&"'R 8.A+5.4/3* u:<''#(2<u 177$4#: :<''#(2< &7#21(&2: (& ()# =21%(4&51$ %&&23451(#: &= ()# 1:<''#(24% 054( 45&23#2 (& 6#5#21(# ()# :<''#(2< 2#$1(#3 1(&': &= ()# =0$$ 054( %#$$ "N$-&$" 8.A+5.4/3* u(156#5(u =453: ()# 72&D#%(#3 62134#5( &5 ()# :<5%)2&5&0: (215:4( 71() =&2 1 7&45( 1$&56 ()# (215:4(71()?1< "&OG&' 8.A+5.4/3* u(#'7#2u 177$4#: 1 B#$&%4(< %&22#%(4&5 1( ()# )1$= (4'# :(#7 1: 5##3#3 =&2 ()# ,&:#@X&&B#2 #>(#53#3:<:(#' ()#2'&:(1( "&OG&'D 8.A+5.4/3* u(#'7#2Ju %&'70(#: ()# 45:(15(15#&0: (#'7#21(02# 153 177$4#: 1 ()#2'&:(1( B41 d#2#53:#5 B#$&%4(<:%1$456C \53#2:#5 :(&%)1:(4% %&$$4:4&5:C _156#B45 74:(&5 &2 ,&:#@X&&B#2 #>(#53#3 :<:(#': "&8"-'NI G+5X+;C u(#:(6213u %&'70(#: 153 %&'712#: ()# 151$<(4%1$ 153 50'#24%1$ 62134#5( B#%(&2: &= ()# 7&(#5(41$#5#26< =05%(4&5 ?4() 2#:7#%( (& U12(#:415 %&&23451(#: "&8"Y&88 G+5X+;C

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132 "#$%&' ()*+,) -./0* 132

u(#:()#::u %&'70(#: 153 %&'712#: ()# 151$<(4%1$ 153 50'#24%1$ X#::415 '1(24%#: &= ()# 7&(#5(41$#5#26< =05%(4&5 ?4() 2#:7#%( (& U12(#:415 %&&23451(#: "&8"P#-Y" G+5X+;C u(#:($46)(u 7#2=&2': 1 :#( &= (4'456 (#:(: (& %&'712# ()# #B1$01(4&5 &= 7&(#5(41$ #5#26< 153#5#26<a62134#5( 0:456 ()# '#()&3 &= $46)(: ?4() 1 3&0;$# $&&7 &B#2 1$$ 1(&' 7142: "&8"'J" G+5X+;C u(#:(2&(u %&'70(#: 153 %&'712#: ()# 151$<(4%1$ 153 50'#24%1$ 62134#5( B#%(&2: &= ()# 7&(#5(41$#5#26< =05%(4&5 ?4() 2#:7#%( (& 2&(1(1;$# (&2:4&51$ 156$#: "#O&' G+5X+;C u(4'#2u '#1:02#: ()# Ub^ (4'# 2#I042#3 =&2 =4$# 2#13456 153 7121'#(#2 1::465'#5(C 7&(#5(41$ #5#26<%&'70(1(4&5C #5#26< 153 62134#5( %&'70(1(4&5C 153 X#::415 '1(24> #B1$01(4&5 "#O&'J" G+5X+;C u(4'#2&(u '#1:02#: ()# Ub^ (4'# 2#I042#3 =&2 =4$# 2#13456 153 7121'#(#2 1::465'#5(C 7&(#5(41$#5#26< %&'70(1(4&5C #5#26< 153 62134#5( &B#2 (&2:4&5:C 153 (&2:4&51$ 156$# X#::415 '1(24>#B1$01(4&5 "$?- 8.A+5.4/3* u(5%6u 4'7$#'#5(: 1 (205%1(#3 ,#?(&5 &7(4'4K1(4&5 1$6&24()' 45 ?)4%) 1 72#%&534(4&5#3 $45#12%&5D061(# 62134#5( '#()&3 4: 0:#3 (& 1772&>4'1(#$< :&$B# ,#?(&5[: #I01(4&5:l :7#%41$ =#1(02#:45%$03# 0:# &= 15 #>7$4%4( :712:# X#::415 &2 =454(#@34==#2#5%# 62134#5(@X#::415 72&30%(: ?4()45 ()#bUe 4(#21(4&5l ()# #>1%( ,#?(&5 :#12%) 342#%(4&5: %15 ;# 0:#3 &7(4&51$$<l ;< 3#=10$( ()# 1$6&24()'%)#%8: =&2 5#61(4B# %02B1(02# (& 72#B#5( %&5B#26#5%# (& 1 :(1(4&512< 7&45( )1B456 5#61(4B##46#5B1$0#:l 4= 1 :133$# 7&45( 4: 3#:42#3 ()4: (#:( %15 ;# 2#'&B#3 ;< 34:1;$456 u5#6(#:(u "$8JPZ& 8.A+5.4/3* u(5:&$B#u 0:#: 1 $45#12 %&5D061(# 62134#5( '#()&3 (& =453 15 1772&>4'1(# :&$0(4&5 (& ()# :#( &= $45#12#I01(4&5: 2#72#:#5(#3 45 '1(24> =&2' ;< X7 o @6 F,#?(&5[: #I01(4&5:H "J'GYN8& 8.A+5.4/3* u(&27)1:#u :#(: ()# 5@=&$3 1'7$4(03# 153 7)1:# B1$0#: =&2 #1%) (&2:4&5 B41 :&2(456 &= ()# 4570(7121'#(#2: "J'K(& 8.A+5.4/3* u(&2I0#u (18#: ()# (&2I0# B1$0#: &5 :4(#: 3#=45#3 ;< $&%1$ %&&23451(# =21'#: 153 34:(24;0(#: ()'# (&%&5B#2( (& =&2%#: &5 ()# &246451$ :4(#: 153 :4(#: :7#%4=<456 ()# $&%1$ =21'#: "J'K(&1 8.A+5.4/3*

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133 "#$%&' ()*+,) -./0* 133

u(&2I0#Gu (18#: ()# (&2I0# B1$0# &5 1 :4(# 3#=45#3 ;< 1 $&%1$ %&&23451(# =21'# 153 34:(24;0(#: 4( (&%&5B#2( (& =&2%#: &5 ()# &246451$ :4(# 153 :4(#: :7#%4=<456 ()# $&%1$ =21'# "J'8&' >.364/53 u(&2:#2u %&'70(#: ()# (&2:4&51$ #22&2 =05%(4&5 153 4(: =42:( 3#24B1(4B#: ?4() 2#:7#%( (& ()# 1(&'4%U12(#:415 %&&23451(#: ;1:#3 &5 ()# 3#B41(4&5 &= :7#%4=4#3 (&2:4&51$ 156$#: =2&' 3#:42#3 B1$0#:C ()#%&5(145#3 ;&53 156$#: 12# 1$:& 2#:(2145#3 (& 1B&43 1 50'#24%1$ 45:(1;4$4(< "J'8#J$8 8.A+5.4/3* u(&2:4&5:u =453: ()# (&(1$ 50';#2 &= 34)#321$ 156$#: 153 ()# 50';#2: &= ()# =&02 1(&': 3#=45456 #1%)34)#321$ 156$# "J'(8 8.A+5.4/3* u(&20:u :#(: 1 $4:( &= 1$$ &= ()# (#'7&212< (&20: 7&:4(4&5: ;< (#:(456 =&2 1 (&20: ;#(?##5 #1%) 1(&' 1534(: 5#46);&2: "J"&'' >.364/53 u(&(#22u 4: ()# #22&2 =05%(4&5 153 3#24B1(4B#: =&2 1 34:(15%# 6#&'#(2< #';#33456l 4( 45%$03#:%&'7&5#5(: =2&' ()# 34:(15%# ;&053:C )123 :7)#2# %&5(1%(:C $&%1$ 6#&'#(2<C %)421$4(< 153 (&2:4&51$2#:(2145( #22&2: "'N$8#" >.364/53 u(215:4(u #B1$01(#: ()# :<5%)2&5&0: (215:4( =05%(4&5 153 62134#5(l $45#12 153 I01321(4% (215:4( 71():12# 1B14$1;$# "'#N$-P& 8.A+5.4/3* u(24156$#u :'&&(): ()# 077#2 153 $&?#2 34:(15%# ;&053: B41 ()# (24156$# 45#I01$4(< 0:456 1 =0$$@'1(24> B12415( &= ()# ]$&<3@"12:)1$$ :)&2(#:( 71() 1$6&24()'l ()4: 2&0(45# 4: 0:01$$< '0%) :$&?#2()15 ()# :712:# '1(24> :)&2(#:( 71() '#()&3: 45 u6#&3#:4%u 153 u(24=4>uC 153 :)&0$3 ;# 0:#3 &5$< =&2%&'7124:&5 ?4() 15:?#2: 6#5#21(#3 ;< ()&:# 2&0(45#: "'#>#Q 8.A+5.4/3* u(24=4>u 2#;04$3: ;&() ()# 077#2 153 $&?#2 34:(15%# ;&053 '1(24%#: =&$$&?456 (46)(#5456 &= &5# &2;&() &= ()# ;&053: ;#(?##5 1 :7#%4=4#3 7142 &= 1(&':C u7u 153 uIuC 0:456 1 '&34=4%1(4&5 &=T02%)$153[: :)&2(#:( 71() 0731(# 1$6&24()' "'#O"&Q" >.364/53 u(24'(#>(u =453: 153 2#(025: ()# $&%1(4&5 &= ()# $1:( 5&5@;$158 %)121%(#2 ;#=&2# ()# =42:( 50$$ %)121%(#245 15 4570( (#>( :(2456l ()# =05%(4&5 2#(025: K#2& 4= 5& :0%) %)121%(#2 4: =&053 "'#GP& >.364/53

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134 "#$%&' ()*+,) -./0* 134

u(247$#u =453: ()# (247$# 72&30%( &= ()2## B#%(&2:l 0:#3 1: 1 :#2B4%# 2&0(45# ;< ()# U&55&$$< :02=1%#12#1 153 B&$0'# %&'70(1(4&5 "'(8" 8.A+5.4/3* u(20:(u 0731(#: ()# '&3#$ (20:( 2#64&5 =&2 1 5&5$45#12 $#1:( :I012#: %1$%0$1(4&5l ()4: B#2:4&5 4: ;1:#3&5 ()# 43#1: =&053 45 ,_JWV_ 153 45 Y#554: 153 W%)51;#$[: ;&&8 (I#'&?"1 8.A+5.4/3* u0342#%(Gu %&'70(#: ()# 2#%472&%1$ :71%# %&5(24;0(4&5 &= ()# 7#2'15#5( 1(&'4% '0$(47&$# '&'#5(:(& ()# #$#%(2&:(1(4% =4#$3 =&2 0:# 45 =453456 ()# 342#%( 4530%#3 347&$# '&'#5(: B41 1 2#60$12 .?1$3:0''1(4&5 (I#'&?"D 8.A+5.4/3* u0342#%(Ju %&'70(#: ()# 2#1$ :71%# %&5(24;0(4&5 &= ()# 7#2'15#5( 1(&'4% '0$(47&$# '&'#5(: (& ()##$#%(2&:(1(4% =4#$3 =&2 0:# 45 =453456 ()# 342#%( 4530%#3 347&$# '&'#5(: B41 1 2#60$12 .?1$3:0''1(4&5 (>#&PI 8.A+5.4/3* u0=4#$3u =453: ()# =4#$3 1( #1%) 7&$124K1;$# :4(# 30# (& ()# 4530%#3 347&$#: 1( ()# &()#2 :4(#: 0:456*)&$#[: '#()&3 (& 31'7 ()# =4#$3 1( %$&:# 2156# (O("(NP1 8.A+5.4/3* u0'0(01$Gu %&'70(#: ()# 2#%472&%1$ :71%# %&5(24;0(4&5 &= ()# 4530%#3 1(&'4% 347&$# '&'#5(: (& ()##$#%(2&:(1(4% =4#$3 =&2 0:# 45 4(#21(4B# %1$%0$1(4&5 &= 4530%#3 347&$# '&'#5(: B41 1 2#60$12 .?1$3:0''1(4&5 (O("(NPD 8.A+5.4/3* u0'0(01$Ju %&'70(#: ()# 2#1$ :71%# %&5(24;0(4&5 &= ()# 4530%#3 1(&'4% 347&$# '&'#5(: (& ()##$#%(2&:(1(4% =4#$3 =&2 0:# 45 4(#21(4B# %1$%0$1(4&5 &= 4530%#3 347&$# '&'#5(: B41 1 2#60$12 .?1$3:0''1(4&5 ($#"?&PP 8.A+5.4/3* u054(%#$$u 6#(: ()# 7#24&34% ;&05312< ;&> :4K# 153 2#$1(#3 B1$0#: =2&' 15 #>(#251$ 8#<?&23 =4$# (G?N8& 8.A+5.4/3* u07%1:#u %&5B#2(: 1 (#>( :(2456 (& 1$$ 077#2 %1:# $#((#2: ZNO 8.A+5.4/3* uB1'u (18#: ()# 151$<(4%1$ '&$#%0$12 :02=1%# 3#=45#3 1: 1 %&$$#%(4&5 &= :7)#24%1$ 153 (&2&431$7&$<6&5: 153 0:#: 4( (& %&'70(# ()# B&$0'# 153 :02=1%# 12#1

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135 "#$%&' ()*+,) -./0* 135

Z?'J88 8.A+5.4/3* uB%2&::u =453: ()# %2&:: 72&30%( &= (?& B#%(&2: ZI<&'' >.364/53 uB3?#22u 4: ()# )123 :7)#2# B15 3#2 "11$: ;&053 #22&2 =05%(4&5 153 3#24B1(4B#: ()1( 7#51$4K#: %$&:#5&5;&53#3 %&5(1%(:C 7142?4:# 5#46);&2: 12# 6#5#21(#3 B41 ()# '#()&3 &= $46)(: Z&?N$- >.364/53 uB#%156u =453: ()# 156$# ;#(?##5 (?& B#%(&2: )153#3 ?4() 2#:7#%( (& 1 %&&23451(# 1>4:l 2#(025: 15156$# 45 ()# 2156# qSCJw74r Z&'P&" 8.A+5.4/3* uB#2$#(u 7#2=&2': 1 :456$# '&$#%0$12 3<51'4%: (4'# :(#7 ;< '#15: &= ()# B#$&%4(< c#2$#( '0$(4:(#72#%02:4&5 =&2'0$1 Z&'8#J$ 8.A+5.4/3* uB#2:4&5u %)#%8: ()# 51'# &= 1 =4$# 1;&0( (& ;# &7#5#3l 4= 4= u&$3u :(1(0: 4: 71::#3C ()# 51'# &= ()#)46)#:( %022#5( B#2:4&5 4: 2#(025#3l 4= u5#?u :(1(0: 4: 71::#3 ()# =4$#51'# &= ()# 5#>( 1B14$1;$#050:#3 B#2:4&5 4: 6#5#21(#3 Z#V'N"& G+5X+;C uB4;21(#u 7#2=&2': 1 B4;21(4&51$ 5&2'1$ '&3# 151$<:4:l ()# X#::415 '1(24> &= :#%&53 3#24B1(4B#: 4:3#(#2'45#3 153 ()#5 3416&51$4K#3 ;&() 342#%($< 153 1=(#2 '1:: ?#46)(456l &0(70( %&5:4:(: &= ()##46#5B1$0#: &= ()# =&2%# %&5:(15( '1(24> 1: ?#$$ 1: ()# B4;21(4&51$ =2#I0#5%4#: 153 34:7$1%#'#5(: Z#V'#-#I G+5X+;C uB4;24643u %&'70(#: ()# #46#5B1$0#: 153 #46#5B#%(&2: &= ()# X#::415 '1(24> &B#2 24643 ;&3< 3#62##:&= =2##3&' Z#V'J" G+5X+;C uB4;2&(u %&'70(#: ()# #46#5B1$0#: 153 #46#5B#%(&2: &= ()# (&2:4&51$ X#::415 '1(24> Z$J'O 8.A+5.4/3* uB5&2'u 5&2'1$4K#: 1 B#%(&2 (& 054( $#56()l 0:#3 1: 1 :#2B4%# 2&0(45# ;< ()# U&55&$$< :02=1%# 12#1153 B&$0'# %&'70(1(4&5 ZJP(O& 8.A+5.4/3* uB&$0'#u %1$%0$1(#: ()# #>%$03#3 B&$0'# B41 ()# U&55&$$< 151$<(4%1$ B&$0'# 153 :02=1%# 12#11$6&24()'

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136 "#$%&' ()*+,) -./0* 136

ZJP(O&1 8.A+5.4/3* uB&$0'#Gu %1$%0$1(#: =42:( 3#24B1(4B#: &= ()# (&(1$ #>%$03#3 B&$0'# ?4() 2#:7#%( (& ()# U12(#:415%&&23451(#: &= #1%) 1(&' ZJP(O&D 8.A+5.4/3* uB&$0'#Ju %1$%0$1(#: :#%&53 3#24B1(4B#: &= ()# (&(1$ #>%$03#3 B&$0'# ?4() 2#:7#%( (& ()# U12(#:415%&&23451(#: &= ()# 1(&': <N"8J$ 8.A+5.4/3* u?1(:&5u 0:#: 1 24643 ;&3< &7(4'4K1(4&5 (& 1772&>4'1(#$< 1$465 ()# 7142#3 :(2153: &= 1 50%$#4% 1%433&0;$# )#$4> <N"8J$1 >.364/53 u?1(:&5Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( =&2 &7(4'1$$< %&534(4&5#3B1241;$# '#(24% &7(4'4K1(4&5 &= 24643 ;&34#: Q"NP&'' 8.A+5.4/3* u>(1$#22u %&'70(#: 15 #22&2 =05%(4&5 B1$0# 3#24B#3 =2&' 3#24B1(4B#: ?4() 2#:7#%( (& $1((4%#7121'#(#2:C $1((4%# #5#26< 153 '&5&'#2 347&$# '&'#5(: Q"NP>#" G+5X+;C u>(1$=4(u %&'70(#: 15 &7(4'4K#3 :#( &= 7&(#5(41$ #5#26< 7121'#(#2: =&2 0:#2 :7#%4=4#3 B15 3#2 "11$:153 #$#%(2&:(1(4% 45(#21%(4&5: ;< =4((456 (& %2<:(1$ :(20%(02#C $1((4%# #5#26< 153 '&5&'#2 347&$#'&'#5( 31(1 Q"NPPN"1 >.364/53 u>(1$'&$Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 50'#24%1$ 62134#5( ?4() 2#:7#%( (& ()#:4> $1((4%# $#56(): 153 156$#: =&2 1 %2<:(1$ #5#26< '454'4K1(4&5 Q"NPO#$ G+5X+;C u>(1$'45u 7#2=&2': 1 =0$$ %2<:(1$ #5#26< '454'4K1(4&5 ;< 1$(#251(456 %<%$#: &= (205%1(#3 ,#?(&5&7(4'4K1(4&5 &B#2 1(&'4% %&&23451(#: ?4() B1241;$# '#(24% &7(4'4K1(4&5 &B#2 ()# :4> $1((4%#34'#5:4&5: 153 156$#: Q"NPOJP1 >.364/53 u>(1$'&$Gu 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# #5#26< 153 62134#5( ?4() 2#:7#%( (& ()# 1(&'4%U12(#:415 %&&23451(#: =&2 1 %2<:(1$ #5#26< '454'4K1(4&5 Q"NPOJPD 8.A+5.4/3*

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137 "#$%&' ()*+,) -./0* 137

u>(1$'&$Ju 4: 1 :#2B4%# 2&0(45# ()1( %&'70(#: ()# :712:# '1(24> X#::415 #$#'#5(: ?4() 2#:7#%( (& ()#1(&'4% U12(#:415 %&&23451(#: =&2 1 %2<:(1$ #5#26< '454'4K1(4&5 Q"NPOJZ& 8.A+5.4/3* u>(1$'&B#u %&5B#2(: =21%(4&51$ (& U12(#:415 %&&23451(#: =&2 24643 '&$#%0$#: 302456 =4((456 &= =&2%#=4#$3 7121'#(#2: (& %2<:(1$ :(20%(02# 31(1 Q"NPG'O 8.A+5.4/3* u>(1$72'u :(&2#: &2 2#(24#B#: 1 %2<:(1$ :(20%(02#l 0:#3 (& '18# 1 72#B4&0:$< :(&2#3 :(20%(02# ()#%022#5($< 1%(4B# :(20%(02#C &2 (& :(&2# 1 :(20%(02# =&2 $1(#2 0:#l &5$< 72&B43#: =&2 ()# 45(#2'&$#%0$12#5#26< (#2': Q"NP<'" 8.A+5.4/3* u>(1$?2(u 4: 1 0(4$4(< ()1( 7245(: 45(#2'#341(# 2#:0$(: 302456 =4((456 &= =&2%# =4#$3 7121'#(#2: (& %2<:(1$31(1 QRSN"O 8.A+5.4/3* u><K1('u %&'70(#: ()# U12(#:415 %&&23451(#: &= 1 :456$# 1(&' =2&' 4(: 3#=45456 45(#251$ %&&23451(#B1$0#: QRS&I#" G+5X+;C u><K#34(u 72&B43#: =&2 '&34=4%1(4&5 153 '15470$1(4&5 &= ()# %&5(#5(: &= 1 U12(#:415 %&&23451(#: =4$# QRS#$" G+5X+;C u><K45(u (18#: 1: 4570( 1 U12(#:415 %&&23451(#: =4$#C ()#5 %&5B#2(: (& 153 ?24(#: &0( 15 45(#251$%&&23451(#: =4$# QRSGIV G+5X+;C u><K73;u (18#: 1: 4570( 1 U12(#:415 %&&23451(#: =4$#C ()#5 %&5B#2(: (& 153 ?24(#: &0( 1 b2&(#45 Y1(1d158 =4$# QRS'#-#I 8.A+5.4/3* u><K24643u %&'70(#: ()# %#5(#2 &= '1:: 153 .0$#2 156$# 24643 ;&3< %&&23451(#: =&2 #1%) 1(&' 62&0745 ()# :<:(#' QRS8RVRP G+5X+;C u><K:<;<$u (18#: 1: 4570( 1 U12(#:415 %&&23451(#: =4$#C %&5B#2(: (& 153 ()#5 ?24(#: &0( 1 W<;<$ TV_J=4$# SN"JO 8.A+5.4/3*

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138 "#$%&' ()*+,) -./0* 138

uK1(&'u 133: 15 1(&' (& ()# #53 &= ()# %022#5( j@'1(24> 153 ()#5 45%2#'#5(: ()# 1(&' %&05(#2l 1(&'(<7#C 3#=45456 1(&': 153 45(#251$ %&&23451(#: 12# 71::#3 1: 1260'#5(: SY&PG 8.A+5.4/3* uK)#$7u 7245(: ()# 6#5#21$ 45=&2'1(4&5 153 45:(20%(4&5: =&2 ()# j@'1(24> #34(456 72&621' SZNP(& 8.A+5.4/3* uKB1$0#u 6#(: 0:#2 :077$4#3 B1$0#: =&2 :#$#%(#3 %&&23451(#: 1: 5##3#3 ;< ()# 45(#251$ %&&23451(##34(456 72&621'

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139 "#$%&' ()*+,) -./0* 139

1T2 I*)6+/@4/53) 59 -B5A;B Z;+/;AB*) *)# ]&2(215 %&''&5 ;$&%8: =&053 45 ()# *+,-./ 71%816# 12# $4:(#3 ;#$&? 1$&56 ?4() 1 ;24#=3#:%247(4&5 &= ()# %&5(#5(: &= #1%) B1241;$# 45 #1%) %&''&5 ;$&%8A .1%) 4534B4301$ %&''&5 ;$&%8 4:72#:#5( 1: 1 :#7121(# uA4u =4$# 45 ()# a:&02%# :0;342#%(&2<A \ :&02%# %&3# $4:(456 %&5(145456 #1%) &= ()#:&02%# %&3# '&30$#: 153 #1%) &= ()# %&''&5 ;$&%8: %15 ;# 72&30%#3 ;< 2055456 ()# u$4:(456A'18#u:%247( =&053 45 ()# 34:(24;0(4&5A N?"#J$ 454;B 3.CA*+ 59 *;67 *3*+XE 4*+C [email protected]*0 5#; 50';#2 &= ;&53 :(2#(%) #5#26< (#2': %&'70(#3 5#1 50';#2 &= 156$# ;#53 #5#26< (#2': %&'70(#3 5#;1 50';#2 &= :(2#(%)@;#53 #5#26< (#2': %&'70(#3 5#0; 50';#2 &= ^2#<@d213$#< #5#26< (#2': %&'70(#3 5#11 50';#2 &= 156$#@156$# #5#26< (#2': %&'70(#3 5#&7; 50';#2 &= &0(@&=@7$15# ;#53 #5#26< (#2': %&'70(#3 5#&73 50';#2 &= &0(@&=@7$15# 34:(15%# #5#26< (#2': %&'70(#3 5#43 50';#2 &= 4'72&7#2 34)#321$ #5#26< (#2': %&'70(#3 5#4( 50';#2 &= 4'72&7#2 (&2:4&5 #5#26< (#2': %&'70(#3 5#( 50';#2 &= (&2:4&51$ #5#26< (#2': %&'70(#3 5#7( 50';#2 &= 74@&2;4(1$ (&2:4&5 #5#26< (#2': %&'70(#3 5#;( 50';#2 &= :(2#(%)@(&2:4&5 #5#26< (#2': %&'70(#3 5#(( 50';#2 &= (&2:4&5@(&2:4&5 #5#26< (#2': %&'70(#3 5#B 50';#2 &= B15 3#2 "11$: #5#26< (#2': %&'70(#3 5#% 50';#2 &= %)126#@%)126# #5#26< (#2': %&'70(#3 5#%3 50';#2 &= %)126#@347&$# #5#26< (#2': %&'70(#3 5#3 50';#2 &= 347&$#@347&$# #5#26< (#2': %&'70(#3 5#' 50';#2 &= '0$(47&$# #5#26< (#2': %&'70(#3 5#7 50';#2 &= 7&$124K1(4&5 #5#26< (#2': %&'70(#3 5#? 50';#2 &= .?1$3 :0''1(4&5 #5#26< (#2': %&'70(#3 5#2 50';#2 &= 2#1%(4&5 =4#$3 #5#26< (#2': %&'70(#3 5#: 50';#2 &= :&$B1(4&5 #5#26< (#2': %&'70(#3 5#$= 50';#2 &= '#(1$ $46153 =4#$3 #5#26< (#2': %&'70(#3 5#6 50';#2 &= 6#&'#(24% 2#:(2145( #5#26< (#2': %&'70(#3 5#> 50';#2 &= #>(21 #5#26< (#2': %&'70(#3 NP#-$ /395+C;4/53 95+ ).@*+@5)/4/53 59 )4+.64.+*) ?=4( ?#46)(: 1::465#3 (& 1(&' 7142: 302456 :07#27&:4(4&5 5=4( 50';#2 &= 1(&': (& 0:# 45 :07#24'7&:456 (?& :(20%(02#: 4=4( 1(&' 50';#2: &= 7142: &= 1(&': (& ;# :07#24'7&:#3 N$NPRS *3*+XE 65C@53*34) @;+4/4/53*0 5^*+ ;45C) 1#:0' (&(1$ 7&(#5(41$ #5#26< 712(4(4&5#3 &B#2 1(&': 1#; ;&53 :(2#(%) #5#26< 712(4(4&5#3 &B#2 1(&': 1#1 156$# ;#53 #5#26< 712(4(4&5#3 &B#2 1(&': 1#;1 :(2#(%)@;#53 #5#26< 712(4(4&5#3 &B#2 1(&': 1#0; ^2#<@d213$#< #5#26< 712(4(4&5#3 &B#2 1(&': 1#11 156$#@156$# #5#26< 712(4(4&5#3 &B#2 1(&': 1#&7; &0(@&=@7$15# ;#53 #5#26< 712(4(4&5#3 &B#2 1(&':

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140 "#$%&' ()*+,) -./0* 140

1#&73 &0(@&=@7$15# 34:(15%# #5#26< 712(4(4&5#3 &B#2 1(&': 1#43 4'72&7#2 34)#321$ #5#26< 712(4(4&5#3 &B#2 1(&': 1#4( 4'72&7#2 (&2:4&5 #5#26< 712(4(4&5#3 &B#2 1(&': 1#( (&2:4&51$ #5#26< 712(4(4&5#3 &B#2 1(&': 1#7( 74@&2;4(1$ (&2:4&5 #5#26< 712(4(4&5#3 &B#2 1(&': 1#;( :(2#(%)@(&2:4&5 #5#26< 712(4(4&5#3 &B#2 1(&': 1#(( (&2:4&5@(&2:4&5 #5#26< 712(4(4&5#3 &B#2 1(&': 1#B B15 3#2 "11$: #5#26< 712(4(4&5#3 &B#2 1(&': 1#% %)126#@%)126# #5#26< 712(4(4&5#3 &B#2 1(&': 1#%3 %)126#@347&$# #5#26< 712(4(4&5#3 &B#2 1(&': 1#3 347&$#@347&$# #5#26< 712(4(4&5#3 &B#2 1(&': 1#' '0$(47&$# #5#26< 712(4(4&5#3 &B#2 1(&': 1#7 7&$124K1(4&5 #5#26< 712(4(4&5#3 &B#2 1(&': 1#2 2#1%(4&5 =4#$3 #5#26< 712(4(4&5#3 &B#2 1(&': 1#: :&$B1(4&5 #5#26< 712(4(4&5#3 &B#2 1(&': 1#$= '#(1$ $46153 =4#$3 #5#26< 712(4(4&5#3 &B#2 1(&': 1#6 6#&'#(24% 2#:(2145( #5#26< 712(4(4&5#3 &B#2 1(&': 1#> #>(21 #5#26< (#2' 712(4(4&5#3 &B#2 1(&': N$-N$- ;3XB*`;3XB* 4*+C) /3 6.++*34 )4+.64.+* 811 =&2%# %&5:(15( =&2 156$#@156$# %2&:: (#2': 5156156 (&(1$ 50';#2 &= 156$#@156$# 45(#21%(4&5: 411 156$# 50';#2: 0:#3 45 #1%) 156$#@156$# (#2' N$-P& A530 ;3XB*) :/47/3 47* 6.++*34 )4+.64.+* 18 )12'&54% 156$# =&2%# %&5:(15( F8%1$a'&$#a213wwJH 151( 43#1$ ;&53 156$# &2 7)1:# :)4=( 156$# F3#62##:H 1=$3 7#24&34%4(< =&2 ]&024#2 ;&53 156$# (#2' 5156$# (&(1$ 50';#2 &= ;&53 156$#: 45 ()# :<:(#' 4156 50';#2: &= ()# 1(&': 45 #1%) ;&53 156$# 156(<7 7&(#5(41$ #5#26< =05%(4&5 (<7# =&2 #1%) ;&53 156$# N$-GJ" )@*6/9/6) 59 A530 ;3XB* 9.364/53;B 95+C) %156 %0;4% %&#==4%4#5( 45 156$# ;#53456 7&(#5(41$ I156 I012(4% %&#==4%4#5( 45 156$# ;#53456 7&(#5(41$ 7156 I045(4% %&#==4%4#5( 45 156$# ;#53456 7&(#5(41$ :156 :#>(4% %&#==4%4#5( 45 156$# ;#53456 7&(#5(41$ 156054( %&5B#2( 156$# ;#53456 #5#26< (& 8%1$a'&$# :(;5054( %&5B#2( :(2#(%)@;#53 #5#26< (& 8%1$a'&$# 11054( %&5B#2( 156$#@156$# #5#26< (& 8%1$a'&$# &7;054( %&5B#2( &0(@&=@7$15# ;#53 #5#26< (& 8%1$a'&$# &73054( %&5B#2( &0(@&=@7$15# 34:(15%# #5#26< (& 8%1$a'&$# ''J:(;5 $&64%1$ =$16 6&B#25456 0:# &= TTJ@:(<$# :(2#(%)@;#53 N'-(& 65CC;30 B/3* ;+X.C*34) ;4 @+5X+;C )4;+4.@ '1>126 '1>4'0' 50';#2 &= %&''153 $45# 1260'#5(: 5126 50';#2 &= %&''153 $45# 1260'#5(: (& ()# 72&621' $4:(126 =$16 (& '128 1B14$1;$# %&''153 $45# 1260'#5(:

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141 "#$%&' ()*+,) -./0* 141

126 :(2456: %&5(145456 ()# %&''153 $45# 1260'#5(: N"OP8" B56;B X*5C*4+E 4*+C) /3^5B^/3X *;67 ;45C ;53$4:( $4:( &= ()# ;&53 50';#2: 45B&$B456 #1%) 1(&' 156$4:( $4:( &= ()# 156$# 50';#2: %#5(#2#3 &5 #1%) 1(&' N"O"RG ;45C/6 @+5@*+4/*) 95+ *;67 6.++*34 ;45C '1:: 1(&'4% ?#46)( =&2 #1%) 1(&' 45 ()# :<:(#' (16 45(#6#2 1(&' $1;#$: =2&' 4570( %&&23451(#: =4$# %$1:: 1(&' %$1:: 50';#2 =&2 #1%) 1(&' 45 ()# :<:(#' 1(&'4% 1(&'4% 50';#2 =&2 #1%) 1(&' 45 ()# :<:(#' B1$#5%# B1$#5%# 50';#2 =&2 #1%) 1(&' 45 ()# :<:(#' 51'# 1(&' 51'# =&2 #1%) 1(&' 45 ()# :<:(#' :(&2< 3#:%247(4B# (<7# =&2 #1%) 1(&' 45 :<:(#' N"JO8 3.CA*+U @5)/4/53 ;30 4E@* 59 6.++*34 ;45C) > %022#5( >@%&&23451(# =&2 #1%) 1(&' 45 ()# :<:(#' < %022#5( <@%&&23451(# =&2 #1%) 1(&' 45 ()# :<:(#' K %022#5( K@%&&23451(# =&2 #1%) 1(&' 45 ()# :<:(#' 5 (&(1$ 50';#2 &= 1(&': 45 ()# %022#5( :<:(#' (<7# 1(&' (<7# 50';#2 =&2 #1%) 1(&' 45 ()# :<:(#' VN"Y 4*C@*+;4.+* ;30 @+*)).+* 6534+5B @;+;C*4*+) '1>5&:# '1>4'0' $#56() &= ()# ,&:#@X&&B#2 %)145 8#$B45S (126#( B1$0# =&2 ()# :<:(#' (#'7#21(02# F-H 8#$B45 B1241;$# (126#( (#'7#21(02# =&2 ()#2'&:(1( F-H 1(':7) (126#( B1$0# =&2 ()# :<:(#' 72#::02# F1('H (10(#'7 (4'# %&5:(15( =&2 d#2#53:#5 ()#2'&:(1( F7:#%H (1072#: (4'# %&5:(15( =&2 d#2#53:#5 ;12&:(1( F7:#%H %&'72#:: 4:&()#2'1$ %&'72#::4;4$4(< &= '#340' F1('@GH %&$$43# %&$$4:4&5 =2#I0#5%< =&2 \53#2:#5 ()#2'&:(1( >5) 7&:4(4&5 &= #1%) %)145#3 ,&:#@X&&B#2 ()#2'&:(1( B5) B#$&%4(< &= #1%) %)145#3 ,&:#@X&&B#2 ()#2'&:(1( I5) '1:: =&2 #1%) %)145#3 ,&:#@X&&B#2 ()#2'&:(1( 65) %&07$456 ;#(?##5 %)145#3 ,&:#@X&&B#2 ()#2'&:(1(: 4:&()#2'1$ $&64%1$ =$16 6&B#25456 0:# &= (#'7#21(02# %&5(2&$ 4:&;124% $&64%1$ =$16 6&B#25456 0:# &= 72#::02# %&5(2&$ (#'7B12< $&64%1$ =$16 (& #51;$# B1241;$# (126#( ()#2'&:(1( ()#2'&:(1( %)&4%# &= (#'7#21(02# %&5(2&$ '#()&3 (& ;# 0:#3 ;12&:(1( %)&4%# &= 72#::02# %&5(2&$ '#()&3 (& ;# 0:#3 V#"J' A/45+)/53) :/47/3 47* 6.++*34 )4+.64.+* 5;4(&2 (&(1$ 50';#2 &= ;4(&2:4&5: 45 ()# :<:(#' 4;4(&2 50';#2: &= ()# 1(&': 45 #1%) ;4(&2:4&5 V$IGJ" )@*6/9/6) 59 A530 )4+*467 9.364/53;B 95+C)

Page 143: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

142 "#$%&' ()*+,) -./0* 142

%;53 %0;4% %&#==4%4#5( 45 ;&53 :(2#(%) 7&(#5(41$ I;53 I012(4% %&#==4%4#5( 45 ;&53 :(2#(%) 7&(#5(41$ ;53054( %&5B#2( ;&53 :(2#(%) #5#26< (& 8%1$a'&$# ;53(<7 (<7# &= ;&53 :(2#(%) 7&(#5(41$ #5#26< =05%(4&5 VJ$I 65^;B*34 A530) /3 47* 6.++*34 )4+.64.+* ;8 ;&53 :(2#(%) =&2%# %&5:(15(: F8%1$a'&$#a\56wwJH ;$ 43#1$ ;&53 $#56() B1$0#: 45 \56:(2&': 5;&53 (&(1$ 50';#2 &= ;&53 :(2#(%)#: 45 ()# :<:(#' 4;53 50';#2: &= ()# 1(&': 45 #1%) ;&53 :(2#(%) VJ'I&' A530 5+0*+) 95+ ; 653j.X;4*0 @/)E)4*C 7;7$ 74@;&53 &23#2: =&2 ;&53: 45 u7$1512u 74:<:(#' 757$ 74@;&53 &23#2: =&2 ;&53: 45 u5&57$1512u 74:<:(#' VJ($I 6534+5B 59 @*+/50/6 A5.30;+E 6530/4/53) 7&$<%0( %0(&== 34:(15%# =&2 45=454(# 7&$<'#2 5&5;&53: 7&$<%0(J :I012# &= 45=454(# 7&$<'#2 5&5;&53 %0(&== 0:#y;&053: =$16 (& 0:# 7#24&34% ;&05312< %&534(4&5: 0:#y4'16# =$16 (& 0:# 4'16#: =&2 7#24&34% :<:(#' 0:#y2#7$4%1 =$16 (& 0:# 2#7$4%1(#: =&2 7#24&34% :<:(#' 0:#y7&$<'#2 =$16 (& '128 72#:#5%# &= 45=454(# 7&$<'#2 VJQ&8 @;+;C*4*+) 95+ @*+/50/6 A5.30;+E 6530/4/53) >;&> $#56() 45 \56: &= 1@1>4: &= 7#24&34% ;&> <;&> $#56() 45 \56: &= ;@1>4: &= 7#24&34% ;&> K;&> $#56() 45 \56: &= %@1>4: &= 7#24&34% ;&> 1$7)1 156$# 45 3#62##: ;#(?##5 ;@ 153 %@1>#: &= ;&> ;#(1 156$# 45 3#62##: ;#(?##5 1@ 153 %@1>#: &= ;&> 61''1 156$# 45 3#62##: ;#(?##5 1@ 153 ;@1>#: &= ;&> >;&>J )1$= &= ()# 1@1>4: $#56() &= 7#24&34% ;&> <;&>J )1$= &= ()# ;@1>4: $#56() &= 7#24&34% ;&> K;&>J )1$= &= ()# %@1>4: $#56() &= 7#24&34% ;&> ;&>LM ()2##@=&02(): 1>4: $#56() &= (205%1(#3 &%(1)#32&5 2#%47 2#%472&%1$ $1((4%# B#%(&2: 1: '1(24> %&$0'5: B&$;&> B&$0'# 45 \56wwL &= ()# 7#24&34% ;&> ;#(1y:45 :45# &= ()# ;#(1 7#24&34% ;&> 156$# ;#(1y%&: %&:45# &= ()# ;#(1 7#24&34% ;&> 156$# 61''1y:45 :45# &= ()# 61''1 7#24&34% ;&> 156$# 61''1y%&: %&:45# &= ()# 61''1 7#24&34% ;&> 156$# ;#(1y(#2' (#2' 0:#3 45 6#5#21(456 (24%$454% ;&> 61''1y(#2' (#2' 0:#3 45 6#5#21(456 (24%$454% ;&> &2()&6&51$ =$16 (& '128 7#24&34% ;&> 1: &2()&6&51$ '&5&%$454% =$16 (& '128 7#24&34% ;&> 1: '&5&%$454% (24%$454% =$16 (& '128 7#24&34% ;&> 1: (24%$454% &%(1)#32&5 =$16 (& '128 ;&> 1: (205%1(#3 &%(1)#32&5 :71%#627 :71%# 62&07 :<';&$ =&2 ()# 054(%#$$ (<7#

Page 144: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

143 "#$%&' ()*+,) -./0* 143

?&PP @*+/50/6 A5.30;+/*) .)/3X +*@B/6;4*0 6*BB) >%#$$ $#56() &= ()# 1@1>4: &= ()# %&'7$#(# 2#7$4%1(#3 %#$$ <%#$$ $#56() &= ()# ;@1>4: &= ()# %&'7$#(# 2#7$4%1(#3 %#$$ K%#$$ $#56() &= ()# %@1>4: &= ()# %&'7$#(# 2#7$4%1(#3 %#$$ >%#$$J )1$= ()# $#56() &= ()# 1@1>4: &= ()# 2#7$4%1(#3 %#$$ <%#$$J )1$= ()# $#56() &= ()# ;@1>4: &= ()# 2#7$4%1(#3 %#$$ K%#$$J )1$= ()# $#56() &= ()# %@1>4: &= ()# 2#7$4%1(#3 %#$$ 5%#$$ (&(1$ 50';#2 &= %#$$ 2#7$4%1(#: =&2 7#24&34% ;&053124#: 4%#$$ &==:#( 1$&56 1>#: =&2 #1%) 2#7$4%1(# 7#24&34% %#$$ ?YN'-& @;+4/;B 67;+X*) 95+ 47* 6.++*34 )4+.64.+* 7%)6 '1654(03# &= ()# 712(41$ %)126#: F#@H 54&5 (&(1$ 50';#2 &= 712(41$ %)126#: 45 :<:(#' 44&5 50';#2 &= ()# 1(&' :4(# =&2 #1%) 712(41$ %)126# D4&5 5#46);&2 6#5#21(4&5 :4(# =&2 #1%) 712(41$ %)126# 84&5 %0(&== :?4(%)456 :4(# =&2 #1%) 712(41$ %)126# %)6$4:( 712(41$ %)126# :4(# =&2 #1%) 1(&' FSo5& %)126#H ?Y-GJ" )@*6/9/6) 59 67;+X*`67;+X* 9.364/53;B 95+C 34#$#% 34#$#%(24% %&5:(15( =&2 #$#%(2&:(1(4% 45(#21%(4&5: %J:%1$# =1%(&2 ;< ?)4%) G@J %)126# 45(#21%(4&5: 12# :%1$#3 %L:%1$# =1%(&2 ;< ?)4%) G@L %)126# 45(#21%(4&5: 12# :%1$#3 %M:%1$# =1%(&2 ;< ?)4%) G@M %)126# 45(#21%(4&5: 12# :%1$#3 %N:%1$# =1%(&2 ;< ?)4%) G@N %)126# 45(#21%(4&5: 12# :%1$#3 5#0(5;2 $&64%1$ =$16 6&B#25456 0:# &= 5#0(21$ 62&07 5#46);&2: 5#0(%0( $&64%1$ =$16 6&B#25456 0:# &= 5#0(21$ 62&07 %0(&==: ?Y'J$J 4/C/3X )4;4/)4/6) 95+ 47* 6.++*34 @+5X+;C %70(4' #$17:#3 %70 (4'# 45 :#%&53: :45%# :(12( &= 72&621' ?J(GP& 3*;+`3*/X7A5+ ;45C 6533*64/^/4E B/)4) '1>5GL '1>4'0' 50';#2 &= 1(&': G@L %&55#%(#3 (& 15 1(&' '1>5GM '1>4'0' 50';#2 &= 1(&': G@M %&55#%(#3 (& 15 1(&' '1>5GN '1>4'0' 50';#2 &= 1(&': G@N %&55#%(#3 (& 15 1(&' 5GJ 50';#2 &= 1(&': 342#%($< ;&53#3 (& #1%) 1(&' 4GJ 1(&' 50';#2: &= 1(&': G@J %&55#%(#3 (& #1%) 1(&' 5GL 50';#2 &= 1(&': 45 1 G@L 2#$1(4&5 (& #1%) 1(&' 4GL 1(&' 50';#2: &= 1(&': G@L %&55#%(#3 (& #1%) 1(&' 5GM 50';#2 &= 1(&': 45 1 G@M 2#$1(4&5 (& #1%) 1(&' 4GM 1(&' 50';#2: &= 1(&': G@M %&55#%(#3 (& #1%) 1(&' 5GN 50';#2 &= 1(&': 45 1 G@N 2#$1(4&5 (& #1%) 1(&' 4GN 1(&' 50';#2: &= 1(&': G@N %&55#%(#3 (& #1%) 1(&' ?("J>> 6.4599 0/)4;36*) 95+ *3*+XE /34*+;64/53)

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144 "#$%&' ()*+,) -./0* 144

B3?%0( %0(&== 34:(15%# =&2 B15 3#2 "11$: 45(#21%(4&5: %)6%0( %0(&== 34:(15%# =&2 %)126#@%)126# 45(#21%(4&5: 37$%0( %0(&== 34:(15%# =&2 347&$#@347&$# 45(#21%(4&5: '7&$#%0( %0(&== 34:(15%# =&2 1(&'4% '0$(47&$# 45(#21%(4&5: B3?(17#2 34:(15%# 1( ?)4%) B15 3#2 "11$: :?4(%)456 ;#645: %)6(17#2 34:(15%# 1( ?)4%) %)126#@%)126# :?4(%)456 ;#645: 37$(17#2 34:(15%# 1( ?)4%) 347&$#@347&$# :?4(%)456 ;#645: '7&$#(17#2 34:(15%# 1( ?)4%) 1(&'4% '0$(47&$# :?4(%)456 ;#645: #?1$3%0( %0(&== 34:(15%# =&2 342#%( :71%# .?1$3 :0''1(4&5 0:#y#?1$3 $&64%1$ =$16 6&B#25456 0:# &= .?1$3 :0''1(4&5 (#2' 0:#y$46)(: $&64%1$ =$16 (& 0:# '#()&3 &= $46)(: 5#46);&2: I&'#Z ?;+4*)/;3 655+0/3;4* 0*+/^;4/^* 65C@53*34) 3#:0' (&(1$ #5#26< U12(#:415 %&&23451(# 3#24B1(4B#: 3#; ;&53 :(2#(%) U12(#:415 %&&23451(# 3#24B1(4B#: 3#1 156$# ;#53 U12(#:415 %&&23451(# 3#24B1(4B#: 3#;1 :(2#(%)@;#53 U12(#:415 %&&23451(# 3#24B1(4B#: 3#0; ^2#<@d213$#< U12(#:415 %&&23451(# 3#24B1(4B#: 3#11 156$#@156$# U12(#:415 %&&23451(# 3#24B1(4B#: 3#&7; &0(@&=@7$15# ;#53 U12(#:415 %&&23451(# 3#24B1(4B#: 3#&73 &0(@&=@7$15# 34:(15%# U12(#:415 %&&23451(# 3#24B1(4B#: 3#43 4'72&7#2 34)#321$ U12(#:415 %&&23451(# 3#24B1(4B#: 3#4( 4'72&7#2 (&2:4&5 U12(#:415 %&&23451(# 3#24B1(4B#: 3#( (&2:4&51$ U12(#:415 %&&23451(# 3#24B1(4B#: 3#7( 74@&2;4(1$ (&2:4&5 U12(#:415 %&&23451(# 3#24B1(4B#: 3#;( :(2#(%)@(&2:4&5 U12(#:415 %&&23451(# 3#24B1(4B#: 3#(( (&2:4&5@(&2:4&5 U12(#:415 %&&23451(# 3#24B1(4B#: 3#B B15 3#2 "11$: U12(#:415 %&&23451(# 3#24B1(4B#: 3#% %)126#@%)126# U12(#:415 %&&23451(# 3#24B1(4B#: 3#%3 %)126#@347&$# U12(#:415 %&&23451(# 3#24B1(4B#: 3#3 347&$#@347&$# U12(#:415 %&&23451(# 3#24B1(4B#: 3#' '0$(47&$# U12(#:415 %&&23451(# 3#24B1(4B#: 3#7 7&$124K1(4&5 U12(#:415 %&&23451(# 3#24B1(4B#: 3#2 2#1%(4&5 =4#$3 U12(#:415 %&&23451(# 3#24B1(4B#: 3#: :&$B1(4&5 U12(#:415 %&&23451(# 3#24B1(4B#: 3#$= '#(1$ $46153 =4#$3 U12(#:415 %&&23451(# 3#24B1(4B#: 3#6 6#&'#(24% 2#:(2145( U12(#:415 %&&23451(# 3#24B1(4B#: 3#> #>(21 #5#26< (#2' U12(#:415 %&&23451(# 3#24B1(4B#: I#GJP& ;45C M A530 0/@5B*) 95+ 6.++*34 )4+.64.+* ;37$ '1654(03# &= #1%) &= ()# 347&$#: FY#;<#:H :37$ 7&:4(4&5 &= #1%) 347&$# ;#(?##5 3#=45456 1(&': 5347&$# (&(1$ 50';#2 &= 347&$#: 45 ()# :<:(#' 437$ 50';#2: &= 1(&': ()1( 3#=45# #1%) 347&$# I#8-&J 0/)4;36* X*5C*4+E A5.30) ;30 @;+;C*4*+) ;53 34:(15%# 6#&'#(2< 077#2 153 $&?#2 ;&053: '1(24> B3?213 )123 :7)#2# 21344 =&2 34:(15%# 6#&'#(2< 1(&': B3?'1> '1>4'0' B1$0# &= )123 :7)#2# :0' =&2 15 1(&' 7142

Page 146: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

145 "#$%&' ()*+,) -./0* 145

%&'71%( 453#> &= $&%1$ 34:(15%# %&'71%(4&5 &5 #';#33456 71()'1> '1>4'0' B1$0# &= 077#2 ;&053 1=(#2 :'&&()456 0:#y45B#2( =$16 (& 0:# #515(4&'#2 %$&:#:( (& 4570( :(20%(02# 0:#y155#1$ =$16 (& 0:# :4'0$1(#3 155#1$456 2#=45#'#5( IJO&-N 0*+/^;4/^* 65C@53*34) 5^*+ 45+)/53) (#:0' (&(1$ #5#26< 3#24B1(4B#: &B#2 (&2:4&5: (#; ;&53 :(2#(%) 3#24B1(4B#: &B#2 (&2:4&5: (#1 156$# ;#53 3#24B1(4B#: &B#2 (&2:4&5: (#;1 :(2#(%)@;#53 3#24B1(4B#: &B#2 (&2:4&5: (#0; ^2#<@d213$#< 3#24B1(4B#: &B#2 (&2:4&5: (#11 156$#@156$# 3#24B1(4B#: &B#2 (&2:4&5: (#&7; &0(@&=@7$15# ;#53 3#24B1(4B#: &B#2 (&2:4&5: (#&73 &0(@&=@7$15# 34:(15%# 3#24B1(4B#: &B#2 (&2:4&5: (#43 4'72&7#2 34)#321$ 3#24B1(4B#: &B#2 (&2:4&5: (#4( 4'72&7#2 (&2:4&5 3#24B1(4B#: &B#2 (&2:4&5: (#( (&2:4&51$ 3#24B1(4B#: &B#2 (&2:4&5: (#7( 74@&2;4(1$ (&2:4&5 3#24B1(4B#: &B#2 (&2:4&5: (#;( :(2#(%)@(&2:4&5 3#24B1(4B#: &B#2 (&2:4&5: (#(( (&2:4&5@(&2:4&5 3#24B1(4B#: &B#2 (&2:4&5: (#B B15 3#2 "11$: 3#24B1(4B#: &B#2 (&2:4&5: (#% %)126#@%)126# 3#24B1(4B#: &B#2 (&2:4&5: (#%3 %)126#@347&$# 3#24B1(4B#: &B#2 (&2:4&5: (#3 347&$#@347&$# 3#24B1(4B#: &B#2 (&2:4&5: (#' 1(&'4% '0$(47&$# 3#24B1(4B#: &B#2 (&2:4&5: (#7 7&$124K1(4&5 3#24B1(4B#: &B#2 (&2:4&5: (#2 2#1%(4&5 =4#$3 3#24B1(4B#: &B#2 (&2:4&5: (#: :&$B1(4&5 3#24B1(4B#: &B#2 (&2:4&5: (#$= '#(1$ $46153 =4#$3 3#24B1(4B#: &B#2 (&2:4&5: (#6 6#&'#(24% 2#:(2145( 3#24B1(4B#: &B#2 (&2:4&5: (#> #>(21 #5#26< (#2' 3#24B1(4B#: &B#2 (&2:4&5: &$&'-# /30/^/0.;B @54*34/;B *3*+XE 65C@53*34) #:0' (&(1$ 7&(#5(41$ #5#26< &= ()# :<:(#' #; ;&53 :(2#(%) 7&(#5(41$ #5#26< &= ()# :<:(#' #1 156$# ;#53 7&(#5(41$ #5#26< &= ()# :<:(#' #;1 :(2#(%)@;#53 7&(#5(41$ #5#26< &= ()# :<:(#' #0; ^2#<@d213$#< 7&(#5(41$ #5#26< &= ()# :<:(#' #11 156$#@156$# 7&(#5(41$ #5#26< &= ()# :<:(#' #&7; &0(@&=@7$15# ;#53 7&(#5(41$ #5#26< &= ()# :<:(#' #&73 &0(@&=@7$15# 34:(15%# 7&(#5(41$ #5#26< &= ()# :<:(#' #43 4'72&7#2 34)#321$ 7&(#5(41$ #5#26< &= ()# :<:(#' #4( 4'72&7#2 (&2:4&5 7&(#5(41$ #5#26< &= ()# :<:(#' #( (&2:4&51$ 7&(#5(41$ #5#26< &= ()# :<:(#' #7( 74@&2;4(1$ (&2:4&5 7&(#5(41$ #5#26< &= ()# :<:(#' #;( :(2#(%)@(&2:4&5 7&(#5(41$ #5#26< &= ()# :<:(#' #(( (&2:4&5@(&2:4&5 7&(#5(41$ #5#26< &= ()# :<:(#' #B B15 3#2 "11$: 7&(#5(41$ #5#26< &= ()# :<:(#' #% %)126#@%)126# 7&(#5(41$ #5#26< &= ()# :<:(#' #%3 %)126#@347&$# 7&(#5(41$ #5#26< &= ()# :<:(#' #3 347&$#@347&$# 7&(#5(41$ #5#26< &= ()# :<:(#'

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146 "#$%&' ()*+,) -./0* 146

#' 1(&'4% '0$(47&$# 7&(#5(41$ #5#26< &= ()# :<:(#' #7 7&$124K1(4&5 7&(#5(41$ #5#26< &= ()# :<:(#' #2 2#1%(4&5 =4#$3 7&(#5(41$ #5#26< &= ()# :<:(#' #: :&$B1(4&5 7&(#5(41$ #5#26< &= ()# :<:(#' #$= '#(1$ $46153 =4#$3 7&(#5(41$ #5#26< &= ()# :<:(#' #6 6#&'#(24% 2#:(2145( 7&(#5(41$ #5#26< &= ()# :<:(#' #> #>(21 (#2' 7&(#5(41$ #5#26< &= ()# :<:(#' &<NPI @;+;C*4*+) 95+ +*X.B;+ 5+ GO &:;B0 ).CC;4/53 1#?1$3 .?1$3 %&5B#26#5%# %&#==4%4#5( B1$0# F\56@GH =2#%47 =21%(4&51$ %0(&== B1$0# =&2 2#%472&%1$ :7)#2# (45=&4$ =$16 6&B#25456 0:# &= (45=&4$ ;&05312< %&534(4&5: &<'&- *H@53*34/;B 9;645+) 95+ +*X.B;+ &:;B0 ).C '1>B#% '1>4'0' 50';#2 &= 8@B#%(&2: 7#2 2#%472&%1$ 1>4: #D% #>7&5#5(1$ =1%(&2: =&2 %&:45# 1$&56 ()# D@1>4: #D: #>7&5#5(1$ =1%(&2: =&2 :45# 1$&56 ()# D@1>4: #8% #>7&5#5(1$ =1%(&2: =&2 %&:45# 1$&56 ()# 8@1>4: #8: #>7&5#5(1$ =1%(&2: =&2 :45# 1$&56 ()# 8@1>4: #$% #>7&5#5(1$ =1%(&2: =&2 %&:45# 1$&56 ()# $@1>4: #$: #>7&5#5(1$ =1%(&2: =&2 :45# 1$&56 ()# $@1>4: >N?&8 ^;+/;AB*) 95+ ?5335BBE ;+*; ;30 ^5B.C* '1>5;2 '1>4'0' 50';#2 &= 5#46);&2456 1(&' 7142: '1>(( '1>4'0' 50';#2 &= (#'7&212< (&24 '1>( '1>4'0' 50';#2 &= (&(1$ (&24 '1>7 '1>4'0' 50';#2 &= 72&;# 7&:4(4&5: '1>B '1>4'0' 50';#2 &= B#2(4%#: '1>#5 '1>4'0' 50';#2 &= %&5%1B# #36#: '1>=5 '1>4'0' 50';#2 &= %&5%1B# =1%#: '1>% '1>4'0' 50';#2 &= %42%$#: '1>#7 '1>4'0' 50';#2 &= %&5B#> #36#: '1>=: '1>4'0' 50';#2 &= :133$# =1%#: '1>%< '1>4'0' 50';#2 &= %<%$#: '>%<#7 '1>4'0' 50';#2 &= %<%$# %&5B#> #36#: '1>=7 '1>4'0' 50';#2 &= %&5B#> =1%#: '>=7%< '1>4'0' 50';#2 &= %&5B#> =1%# %<%$#: >#&PI8 C5B*6.B;+ C*67;3/6) 95+6* 9/*B0 0*)6+/@4/53 ;4&(<7 =&2%# =4#$3 1(&' (<7# &= #1%) ;4&7&$<'#2 (<7# =&2%#=4#$3 :(2456 0:#3 (& 3#:%24;# ()# %022#5( =&2%#=4#$3 >#P&8 3;C* ;30 3.CA*+ 59 6.++*34 )4+.64.+* 9/B*) 5724&2 50';#2 &= 72#B4&0:$< #>4:(456 %<%$# =4$#: $342 $#56() 45 %)121%(#2: &= ()# 342#%(&2< 51'# $#56 $#56() 45 %)121%(#2: &= ()# ;1:# =4$#51'#

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147 "#$%&' ()*+,) -./0* 147

=4$#51'# ;1:# =4$#51'# 0:#3 ;< 3#=10$( =&2 1$$ =4$#: &0(=4$# &0(70( =4$#51'# 0:#3 =&2 45(#2'#341(# 2#:0$(: >'N?8 ;45C 0/)4;36*) 45 C5B*6.B;+ 6*34*+ 59 C;)) >=21% =21%(4&51$ %&&23451(# 1$&56 1@1>4: &= %#5(#2 &= '1:: <=21% =21%(4&51$ %&&23451(# 1$&56 ;@1>4: &= %#5(#2 &= '1:: K=21% =21%(4&51$ %&&23451(# 1$&56 %@1>4: &= %#5(#2 &= '1:: -'J(G @;+4/4/53/3X 59 )E)4*C /345 ;45C X+5.@) 627'1:: (&(1$ '1:: &= 1$$ ()# 1(&': 45 #1%) 62&07 ?627 ?#46)( =&2 #1%) :#( &= 62&07@62&07 45(#21%(4&5: 5627 (&(1$ 50';#2 &= 1(&' 62&07: 45 ()# :<:(#' 8627 %&5(460&0: $4:( &= ()# 1(&': 45 #1%) 62&07 4627 =42:( 153 $1:( 1(&' &= #1%) 62&07 45 ()# $4:( 627$4:( 50';#2 &= ()# 62&07 (& ?)4%) #1%) 1(&' ;#$&56: 0:#y62&07 =$16 (& 0:# 712(4(4&5456 &= :<:(#' 45(& 62&07: 0:#y45(21 =$16 (& 45%$03# &5$< 45(2162&07 45(#21%(4&5: 0:#y45(#2 =$16 (& 45%$03# &5$< 45(#262&07 45(#21%(4&5: Y&8?(" 6.4599 ^;B.* 95+ Y*))/;3 C;4+/H *B*C*34) )#::%0( '1654(03# &= :'1$$#:( 1$$&?#3 X#::415 #$#'#5( Y&88$ ?;+4*)/;3 Y*))/;3 *B*C*34) 95+ ; )/3XB* ;45C )#::> X#::415 #$#'#5(: =&2 >@%&'7&5#5( &= %022#5( 1(&' )#::< X#::415 #$#'#5(: =&2 <@%&'7&5#5( &= %022#5( 1(&' )#::K X#::415 #$#'#5(: =&2 K@%&'7&5#5( &= %022#5( 1(&' #OG'JG /C@+5@*+ 0/7*0+;B) /3 47* 6.++*34 )4+.64.+* 872&7 =&2%# %&5:(15( B1$0#: =&2 4'72&7#2 34)#321$ 156$#: B72&7 43#1$ 4'72&7#2 34)#321$ 156$# B1$0# 45 3#62##: 5472&7 (&(1$ 50';#2 &= 4'72&7#2 34)#321$ 156$#: 45 ()# :<:(#' 4472&7 50';#2: &= ()# 1(&': 45 #1%) 4'72&7#2 34)#321$ 156$# #OG"J' /C@+5@*+ 45+)/53) /3 47* 6.++*34 )4+.64.+* 4(&2:G G@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) 4'72&7#2 (&2:4&5 4(&2:J J@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) 4'72&7#2 (&2:4&5 4(&2:L L@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) 4'72&7#2 (&2:4&5 54(&2: (&(1$ 50';#2 &= 4'72&7#2 (&2:4&51$ 156$#: 45 ()# :<:(#' 44(&2: 50';#2: &= ()# 1(&': 45 #1%) 4'72&7#2 (&2:4&51$ 156$# #$>J'O 6534+5B ^;B.*) 95+ #cJ ;30 @+5X+;C 9B5: 3464(: 3#%4'1$ 7$1%#: &0(70( =&2 #5#26< 153 %&&23451(#: 47245( :(#7: ;#(?##5 :(1(0: 7245(456 FSo5& 7245(456H 4?24(# :(#7: ;#(?##5 %&&23451(# 30'7: FSo5& 30'7:H

Page 149: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

148 "#$%&' ()*+,) -./0* 148

4:#53 :(#7: ;#(?##5 :&%8#( %&''054%1(4&5 FSo5& :&%8#(:H B#2;&:# $&64%1$ =$16 (& (025 &5 #>(21 45=&2'1(4&5 3#;06 $&64%1$ =$16 (& (025 &5 =0$$ 3#;06 7245(456 )&$307 $&64%1$ =$16 (& ?14( =&2 %122416# 2#(025 &5 #>4( 1;&2( $&64%1$ =$16 (& :(&7 #>#%0(4&5 1( 5#>( %)15%# #$"&' ).C 59 /34*+C5B*6.B;+ *3*+XE 65C@53*34) #45(#2 (&(1$ 45(#2'&$#%0$12 7&(#5(41$ #5#26< #J($#" >5+4+;3 /[email protected]@.4 k#cJl .3/4 3.CA*+) 4&0( ]&2(215 +aV 054( =&2 '1D&2 &0(70( F3#=10$(oOH 4570( ]&2(215 +aV 054( =&2 '1D&2 4570( F3#=10$(oNH %N$N$- 95+6*9/*B0 @;+;C*4*+) 95+ ;3XB*`;3XB* 4*+C) 1515 156$#@156$# %2&:: (#2' 7121'#(#2: =&2 #1%) 1(&' %$1:: %N$-8 95+6*9/*B0 @;+;C*4*+) 95+ A530 ;3XB* A*30/3X '1>51 '1>4'0' 50';#2 &= )12'&54% 156$# ;#53 7121'#(#2 #5(24#: '1>51N '1>4'0' 50';#2 &= N@'#';#2#3 2456 156$# ;#53 #5(24#: '1>51M '1>4'0' 50';#2 &= M@'#';#2#3 2456 156$# ;#53 #5(24#: '1>51L '1>4'0' 50';#2 &= L@'#';#2#3 2456 156$# ;#53 #5(24#: '1>51= '1>4'0' 50';#2 &= ]&024#2 156$# ;#53 7121'#(#2 #5(24#: 1%&5 =&2%# %&5:(15( 7121'#(#2: =&2 )12'&54% 156$# ;#53: 1%&5N =&2%# %&5:(15( 7121'#(#2: =&2 N@2456 156$# ;#53: 1%&5M =&2%# %&5:(15( 7121'#(#2: =&2 M@2456 156$# ;#53: 1%&5L =&2%# %&5:(15( 7121'#(#2: =&2 L@2456 156$# ;#53: 1%&5= =&2%# %&5:(15( 7121'#(#2: =&2 ]&024#2 156$# ;#53: 156 ;&53 156$# 7121'#(#2: =&2 )12'&54% 156$# ;#53: 156N ;&53 156$# 7121'#(#2: =&2 N@2456 156$# ;#53: 156M ;&53 156$# 7121'#(#2: =&2 M@2456 156$# ;#53: 156L ;&53 156$# 7121'#(#2: =&2 L@2456 156$# ;#53: 156= 7)1:# :)4=( 156$# 153 7#24&34%4(< =&2 ]&024#2 ;#53: 81 :(2456 &= 1(&' %$1::#: =&2 )12'&54% 156$# ;#53: 81N :(2456 &= 1(&' %$1::#: =&2 N@2456 156$# ;#53: 81M :(2456 &= 1(&' %$1::#: =&2 M@2456 156$# ;#53: 81L :(2456 &= 1(&' %$1::#: =&2 L@2456 156$# ;#53: 81= :(2456 &= 1(&' %$1::#: =&2 ]&024#2 156$# ;#53: %N"JO8 95+6*9/*B0 @;+;C*4*+) 95+ 47* ;45C 4E@*) ?#46)( 1B#216# 1(&'4% '1:: &= #1%) 1(&' (<7# 1('%$: 1(&' %$1:: 50';#2 =&2 #1%) &= ()# 1(&' (<7#: 1('50' 1(&'4% 50';#2 =&2 #1%) &= ()# 1(&' (<7#: $46153 50';#2 &= 1(&': (& ;# 1((1%)#3 (& #1%) 1(&' (<7# :<';&$ '&34=4#3 1(&'4% :<';&$ =&2 #1%) 1(&' (<7# 3#:%24;# :(2456 43#5(4=456 #1%) &= ()# 1(&' (<7#:

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149 "#$%&' ()*+,) -./0* 149

%VJ$I8 95+6*9/*B0 @;+;C*4*+) 95+ A530 )4+*467/3X '1>5; '1>4'0' 50';#2 &= ;&53 :(2#(%) 7121'#(#2 #5(24#: '1>5;N '1>4'0' 50';#2 &= N@'#';#2#3 2456 ;&53 :(2#(%) #5(24#: '1>5;M '1>4'0' 50';#2 &= M@'#';#2#3 2456 ;&53 :(2#(%) #5(24#: '1>5;L '1>4'0' 50';#2 &= L@'#';#2#3 2456 ;&53 :(2#(%) #5(24#: '1>5#$ '1>4'0' 50';#2 &= #$#%(2&5#61(4B4(< ;&53 %&22#%(4&5: ;%&5 =&2%# %&5:(15( 7121'#(#2: =&2 )12'&54% ;&53 :(2#(%) ;%&5N =&2%# %&5:(15( 7121'#(#2: =&2 N@2456 ;&53 :(2#(%) ;%&5M =&2%# %&5:(15( 7121'#(#2: =&2 M@2456 ;&53 :(2#(%) ;%&5L =&2%# %&5:(15( 7121'#(#2: =&2 L@2456 ;&53 :(2#(%) ;$#5 ;&53 $#56() 7121'#(#2: =&2 )12'&54% ;&53 :(2#(%) ;$#5N ;&53 $#56() 7121'#(#2: =&2 N@2456 ;&53 :(2#(%) ;$#5M ;&53 $#56() 7121'#(#2: =&2 M@2456 ;&53 :(2#(%) ;$#5L ;&53 $#56() 7121'#(#2: =&2 L@2456 ;&53 :(2#(%) 3$#5 #$#%(2&5#61(4B4(< ;&53 $#56() %&22#%(4&5 7121'#(#2: 8; :(2456 &= 1(&' %$1::#: =&2 )12'&54% ;&53 :(2#(%) 8;N :(2456 &= 1(&' %$1::#: =&2 N@2456 ;&53 :(2#(%) 8;M :(2456 &= 1(&' %$1::#: =&2 M@2456 ;&53 :(2#(%) 8;L :(2456 &= 1(&' %$1::#: =&2 L@2456 ;&53 :(2#(%) 8#$ :(2456 &= 1(&' %$1::#: =&2 #$#%(2&5#61(4B4(< %&22#%(4&5: %?Y'-& 95+6*9/*B0 @;+;C*4*+) 95+ @;+4/;B 67;+X*) %)6 712(41$ %)126# 7121'#(#2: =&2 #1%) 1(&' (<7# %I#GJP 95+6*9/*B0 @;+;C*4*+) 95+ A530 0/@5B*) '1>53 '1>4'0' 50';#2 &= ;&53 347&$# 7121'#(#2 #5(24#: '1>53N '1>4'0' 50';#2 &= N@'#';#2#3 2456 347&$# #5(24#: '1>53M '1>4'0' 50';#2 &= M@'#';#2#3 2456 347&$# #5(24#: '1>53L '1>4'0' 50';#2 &= L@'#';#2#3 2456 347&$# #5(24#: 37$ 347&$# '&'#5( 7121'#(#2: =&2 ;&53 347&$#: 37$N 347&$# '&'#5( 7121'#(#2: =&2 N@2456 347&$#: 37$M 347&$# '&'#5( 7121'#(#2: =&2 M@2456 347&$#: 37$L 347&$# '&'#5( 7121'#(#2: =&2 L@2456 347&$#: 7&: 347&$# 7&:4(4&5 7121'#(#2: =&2 ;&53 347&$#: 7&:N 347&$# 7&:4(4&5 7121'#(#2: =&2 N@2456 347&$#: 7&:M 347&$# 7&:4(4&5 7121'#(#2: =&2 M@2456 347&$#: 7&:L 347&$# 7&:4(4&5 7121'#(#2: =&2 L@2456 347&$#: 83 :(2456 &= 1(&' %$1::#: =&2 ;&53 347&$#: 83N :(2456 &= 1(&' %$1::#: =&2 N@2456 347&$#: 83M :(2456 &= 1(&' %$1::#: =&2 M@2456 347&$#: 83L :(2456 &= 1(&' %$1::#: =&2 L@2456 347&$#: %&R8 6534*34) 59 6.++*34 m*E:5+0 @;+;C*4*+ 9/B* 58#< 50';#2 &= 5&5;$158 $45#: 45 ()# 8#<?&23 =4$# 8#<$45# %&5(#5(: &= #1%) 4534B4301$ 8#<?&23 =4$# $45# %-&JO8 @;+;C*4*+) 95+ 47* X*5C*4+/6;B +*)4+;/34)

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150 "#$%&' ()*+,) -./0* 150

>7=4> >@%&&23451(# (126#( =&2 #1%) 2#:(2145#3 7&:4(4&5 <7=4> <@%&&23451(# (126#( =&2 #1%) 2#:(2145#3 7&:4(4&5 K7=4> K@%&&23451(# (126#( =&2 #1%) 2#:(2145#3 7&:4(4&5 7=4> =&2%# %&5:(15( 153 =$1(@?#$$ 2156# =&2 #1%) 7&:4(4&5 3=4> =&2%# %&5:(15( 153 (126#( 2156# =&2 #1%) 34:(15%# 1=4> =&2%# %&5:(15( 153 (126#( 2156# =&2 #1%) 156$# (=4> =&2%# %&5:(15( 153 (126#( 2156# =&2 #1%) (&2:4&5 6=4> =&2%# %&5:(15( 153 (126#( 2156# =&2 #1%) 62&07 34:(15%# %)42 =&2%# %&5:(15( 153 (126#( 2156# =&2 %)421$ %#5(#2: 3#7() 3#7() &= :)1$$&? e10::415 ;1:45 2#:(2145( ?43() #>7&5#5(41$ ?43() %&#==4%4#5( &= e10::415 ;1:45 2?1$$ 21340: &= :7)#24%1$ 32&7$#( ;&05312< 2#:(2145( 57=4> 50';#2 &= 7&:4(4&5 2#:(2145(: (& ;# 177$4#3 47=4> 1(&' 50';#2 45B&$B#3 45 #1%) 7&:4(4&5 2#:(2145( 87=4> =$16: (& 0:# >@C <@C K@%&&23451(# 7&:4(4&5 2#:(2145(: 53=4> 50';#2 &= 34:(15%# 2#:(2145(: (& ;# 177$4#3 43=4> 1(&' 50';#2: 3#=45456 #1%) 34:(15%# 2#:(2145( 51=4> 50';#2 &= 156$# 2#:(2145(: (& ;# 177$4#3 41=4> 1(&' 50';#2: 3#=45456 #1%) 156$# 2#:(2145( 5(=4> 50';#2 &= (&2:4&51$ 2#:(2145(: (& ;# 177$4#3 4(=4> 1(&' 50';#2: 3#=45456 #1%) (&2:4&51$ 2#:(2145( 56=4> 50';#2 &= 62&07 34:(15%# 2#:(2145(: (& ;# 177$4#3 46=4> 62&07 50';#2: 3#=45456 #1%) 62&07 34:(15%# 2#:(2145( 5%)42 50';#2 &= %)421$4(< 2#:(2145(: (& ;# 177$4#3 4%)42 1(&' 50';#2: 3#=45456 #1%) %)421$4(< 2#:(2145( 0:#y;1:45 $&64%1$ =$16 6&B#25456 0:# &= e10::415 ;1:45 0:#y?1$$ $&64%1$ =$16 6&B#25456 0:# &= 32&7$#( ;&05312< %YVJ$I 95+6*9/*B0 @;+;C*4*+) 95+ Y`A530/3X 4*+C) '1>5); '1>4'0' 50';#2 &= )<32&6#5 ;&53456 7142 #5(24#: 213); 21340: 7121'#(#2 =&2 )<32&6#5 ;&53456 7142: #7:); ?#$$ 3#7() 7121'#(#2 =&2 )<32&6#5 ;&53456 7142: 8); :(2456 &= 1(&' (<7#: =&2 )<32&6#5 ;&53456 7142: %#G'JG 95+6*9/*B0 @;+;C*4*+) 95+ /C@+5@*+ 0/7*0+;B '1>534 '1>4'0' 50';#2 &= 4'72&7#2 34)#321$ 7121'#(#2 #5(24#: 3%&5 =&2%# %&5:(15( 7121'#(#2: =&2 4'72&7#2 34)#321$: (34 43#1$ 34)#321$ 156$# B1$0#: =&2 4'72&7#2 34)#321$: 834 :(2456 &= 1(&' %$1::#: =&2 4'72&7#2 34)#321$ 156$#: %#"J'8 95+6*9/*B0 @;+;C*4*+) 95+ /C@+5@*+ 45+)/53) '1>5(4 '1>4'0' 50';#2 &= 4'72&7#2 (&2:4&5 7121'#(#2 #5(24#: (4G (&2:4&51$ 7121'#(#2: =&2 4'72&7#2 G@=&$3 2&(1(4&5 (4J (&2:4&51$ 7121'#(#2: =&2 4'72&7#2 J@=&$3 2&(1(4&5 (4L (&2:4&51$ 7121'#(#2: =&2 4'72&7#2 L@=&$3 2&(1(4&5 8(4 :(2456 &= 1(&' %$1::#: =&2 4'72&7#2 (&2:4&51$ 7121'#(#2: %O(P"# 95+6*9/*B0 @;+;C*4*+) 95+ ;45C/6 C.B4/@5B*)

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151 "#$%&' ()*+,) -./0* 151

'1>5'7 '1>4'0' 50';#2 &= 1(&'4% '0$(47&$# 7121'#(#2 #5(24#: '0$(47 1(&'4% '&5&7&$#C 347&$# 153 I013207&$# B1$0#: '71>4: (<7# &= $&%1$ 1>4: 3#=454(4&5 =&2 1(&'4% '0$(47&$#: 8'7 :(2456 &= 1(&' (<7#: =&2 1(&'4% '0$(47&$#: %JGV$I 95+6*9/*B0 @;+;C*4*+) 95+ 5.4`59`@B;3* A*30 '1>5&7; '1>4'0' 50';#2 &= &0(@&=@7$15# ;#53456 #5(24#: %&7; =&2%# %&5:(15( 7121'#(#2: =&2 &0(@&=@7$15# ;#53456 81&7; :(2456 &= 1(&' %$1::#: =&2 &0(@&=@7$15# ;#53456 %JGI8" 95+6*9/*B0 @;+;C*4*+) 95+ 5.4`@B;3* 0/)4;36* '1>5&7; '1>4'0' 50';#2 &= &0(@&=@7$15# 34:(15%# #5(24#: %&7; =&2%# %&5:(15( 7121'#(#2: =&2 &0(@&=@7$15# 34:(15%# 81&7; :(2456 &= 1(&' %$1::#: =&2 &0(@&=@7$15# 34:(15%# %J'V8 95+6*9/*B0 @;+;C*4*+) 95+ @/)E)4*C 5+A/4;B) '1>574 '1>4'0' 50';#2 &= 74:<:(#' ;&53 7121'#(#2 #5(24#: #$#%(2&5 50';#2 &= 74@#$#%(2&5: =&2 #1%) 1(&' %$1:: 4&54K# 4&54K1(4&5 7&(#5(41$ =&2 #1%) 1(&' %$1:: 2#70$:# 2#70$:4&5 45(#621$ B1$0# =&2 #1%) 1(&' %$1:: ::$&7# :$&7# =&2 ;&53 :(2#(%) B:A 74@;&53 &23#2 (:$&7# :$&7# =&2 J@=&$3 (&2:4&5 B:A 74@;&53 &23#2 874 :(2456 &= 1(&' %$1::#: =&2 74:<:(#' ;&53: %G#"J' 95+6*9/*B0 @;+;C*4*+) 95+ @/`5+A/4 45+)/53) '1>57( '1>4'0' 50';#2 &= 74@&2;4(1$ (&2:4&5 7121'#(#2 #5(24#: 7(%&5 =&2%# %&5:(15( 7121'#(#2: =&2 74@&2;4(1$ (&2:4&5: 87( :(2456 &= 1(&' %$1::#: =&2 74@&2;4(1$ (&2:4&5 (#2': %GJP' 95+6*9/*B0 @;+;C*4*+) 95+ @5B;+/\;A/B/4E 7&$2 347&$# 7&$124K1;4$4(< 7121'#(#2: =&2 #1%) 1(&' (<7# 7627 %&55#%(#3 (<7#: 45 7&$124K1(4&5 62&07 &= #1%) 1(&' (<7# %8"V$I 95+6*9/*B0 @;+;C*4*+) 95+ )4+*467`A*30/3X :(;5 :(2#(%)@;#53456 7121'#(#2: =&2 #1%) 1(&' %$1:: %8""J' 95+6*9/*B0 @;+;C*4*+) 95+ )4+*467`45+)/53) '1>5;( '1>4'0' 50';#2 &= :(2#(%)@(&2:4&5 7121'#(#2 #5(24#: ;(%&5 =&2%# %&5:(15( 7121'#(#2: =&2 :(2#(%)@(&2:4&5 8;( :(2456 &= 1(&' %$1::#: =&2 ;&53: 45 :(2#(%)@(&2:4&5 %"J'8$ 95+6*9/*B0 @;+;C*4*+) 95+ 45+)/53;B ;3XB*)

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152 "#$%&' ()*+,) -./0* 152

'1>5( '1>4'0' 50';#2 &= (&2:4&51$ 156$# 7121'#(#2 #5(24#: '1>5(N '1>4'0' 50';#2 &= N@'#';#2#3 2456 (&2:4&5 #5(24#: '1>5(M '1>4'0' 50';#2 &= M@'#';#2#3 2456 (&2:4&5 #5(24#: (G (&2:4&51$ 7121'#(#2: =&2 :(153123 G@=&$3 2&(1(4&5 (J (&2:4&51$ 7121'#(#2: =&2 :(153123 J@=&$3 2&(1(4&5 (L (&2:4&51$ 7121'#(#2: =&2 :(153123 L@=&$3 2&(1(4&5 (M (&2:4&51$ 7121'#(#2: =&2 :(153123 M@=&$3 2&(1(4&5 (N (&2:4&51$ 7121'#(#2: =&2 :(153123 N@=&$3 2&(1(4&5 (O (&2:4&51$ 7121'#(#2: =&2 :(153123 O@=&$3 2&(1(4&5 (GN (&2:4&51$ 7121'#(#2: =&2 G@=&$3 2&(1(4&5 45 N@2456 (JN (&2:4&51$ 7121'#(#2: =&2 J@=&$3 2&(1(4&5 45 N@2456 (LN (&2:4&51$ 7121'#(#2: =&2 L@=&$3 2&(1(4&5 45 N@2456 (MN (&2:4&51$ 7121'#(#2: =&2 M@=&$3 2&(1(4&5 45 N@2456 (NN (&2:4&51$ 7121'#(#2: =&2 N@=&$3 2&(1(4&5 45 N@2456 (ON (&2:4&51$ 7121'#(#2: =&2 O@=&$3 2&(1(4&5 45 N@2456 (GM (&2:4&51$ 7121'#(#2: =&2 G@=&$3 2&(1(4&5 45 M@2456 (JM (&2:4&51$ 7121'#(#2: =&2 J@=&$3 2&(1(4&5 45 M@2456 (LM (&2:4&51$ 7121'#(#2: =&2 L@=&$3 2&(1(4&5 45 M@2456 (MM (&2:4&51$ 7121'#(#2: =&2 M@=&$3 2&(1(4&5 45 M@2456 (NM (&2:4&51$ 7121'#(#2: =&2 N@=&$3 2&(1(4&5 45 M@2456 (OM (&2:4&51$ 7121'#(#2: =&2 O@=&$3 2&(1(4&5 45 M@2456 8( :(2456 &= 1(&' %$1::#: =&2 (&2:4&51$ 156$#: 8(N :(2456 &= 1(&' %$1::#: =&2 N@2456 (&2:4&5: 8(M :(2456 &= 1(&' %$1::#: =&2 M@2456 (&2:4&5: %"'"J' 95+6*9/*B0 @;+;C*4*+) 95+ 45+)/53`45+)/53) '1>5(( '1>4'0' 50';#2 &= (&2:4&5@(&2:4&5 7121'#(#2 #5(24#: '1>(623 '1>4'0' 34'#5:4&5 &= (&2:4&5@(&2:4&5 :7$45# 6243 '1>(623J '1>4'0' 50';#2 &= (&2:4&5@(&2:4&5 :7$45# 6243 7&45(: ((> 156$# B1$0#: =&2 =42:( (&2:4&5 &= :7$45# 6243 ((< 156$# B1$0#: =&2 :#%&53 (&2:4&5 &= :7$45# 6243 (;= =05%(4&5 B1$0#: 1( 7&45(: &5 :7$45# 6243 (;> 62134#5( &B#2 =42:( (&2:4&5 &= :7$45# 6243 (;< 62134#5( &B#2 :#%&53 (&2:4&5 &= :7$45# 6243 (;>< X#::415 %2&:: %&'7&5#5(: &B#2 :7$45# 6243 (5> 50';#2 &= %&$0'5: 45 (&2:4&5@(&2:4&5 :7$45# 6243 (5< 50';#2 &= 2&?: 45 (&2:4&5@(&2:4&5 :7$45# 6243 8(( :(2456 &= (&2:4&5@(&2:4&5 1(&' %$1::#: %('RV' 95+6*9/*B0 @;+;C*4*+) 95+ (+*E`V+;0B*E 4*+C) '1>50 '1>4'0' 50';#2 &= ^2#<@d213$#< 7121'#(#2 #5(24#: 0%&5 =&2%# %&5:(15( 7121'#(#2: =&2 ^2#<@d213$#< (#2': 3:(GL 43#1$ G@L 34:(15%# 7121'#(#2: =&2 ^2#<@d213$#< (#2': 80 :(2456 &= 1(&' %$1::#: =&2 ^2#<@d213$#< (#2': %ZI<G' 95+6*9/*B0 @;+;C*4*+) 95+ )@*6/;B ^0: 4*+C) '1>5B7 '1>4'0' 50';#2 &= :7#%41$ B15 3#2 "11$: 7142 #5(24#: 21372 21340: 7121'#(#2 =&2 :7#%41$ B15 3#2 "11$: 7142: #7:72 ?#$$ 3#7() 7121'#(#2 =&2 :7#%41$ B15 3#2 "11$: 7142:

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153 "#$%&' ()*+,) -./0* 153

8B72 :(2456 &= 1(&' %$1::#: =&2 :7#%41$ B15 3#2 "11$: 7142: %ZI<8 95+6*9/*B0 @;+;C*4*+) 95+ ^;3 0*+ <;;B) 4*+C) 213 B15 3#2 "11$: 21340: 7121'#(#2 =&2 #1%) 1(&' %$1:: #7: B15 3#2 "11$: ?#$$ 3#7() 7121'#(#2 =&2 #1%) 1(&' %$1:: 213M B15 3#2 "11$: 21340: 7121'#(#2 45 G@M 45(#21%(4&5: #7:M B15 3#2 "11$: ?#$$ 3#7() 7121'#(#2 45 G@M 45(#21%(4&5: 2#30%( B15 3#2 "11$: 2#30%(4&5 =1%(&2 =&2 #1%) 1(&' %$1:: P#-Y" /30/6*) 95+ C*4750 59 B/X74) @;/+ 3*/X7A5+) 5$46)( (&(1$ 50';#2 &= :4(#: =&2 '#()&3 &= $46)(: %1$%0$1(4&5 8;> $&? 453#> &= 5#46);&2: &= #1%) :4(# 45 ()# >@:&2(#3 $4:( 8;< $&? 453#> &= 5#46);&2: &= #1%) :4(# 45 ()# <@:&2(#3 $4:( 8;K $&? 453#> &= 5#46);&2: &= #1%) :4(# 45 ()# K@:&2(#3 $4:( 8#> )46) 453#> &= 5#46);&2: &= #1%) :4(# 45 ()# >@:&2(#3 $4:( 8#< )46) 453#> &= 5#46);&2: &= #1%) :4(# 45 ()# <@:&2(#3 $4:( 8#K )46) 453#> &= 5#46);&2: &= #1%) :4(# 45 ()# K@:&2(#3 $4:( $&%> 7&45(#2 =2&' >@:&2(#3 $4:( 45(& &246451$ 45(#21%(4&5 $4:( $&%< 7&45(#2 =2&' <@:&2(#3 $4:( 45(& &246451$ 45(#21%(4&5 $4:( $&%K 7&45(#2 =2&' K@:&2(#3 $4:( 45(& &246451$ 45(#21%(4&5 $4:( 26> 7&45(#2 =2&' &246451$ 45(#21%(4&5 $4:( 45(& >@:&2(#3 $4:( 26< 7&45(#2 =2&' &246451$ 45(#21%(4&5 $4:( 45(& <@:&2(#3 $4:( 26K 7&45(#2 =2&' &246451$ 45(#21%(4&5 $4:( 45(& K@:&2(#3 $4:( P#$O#$ @;+;C*4*+) 95+ B/3* )*;+67 C/3/C/\;4/53 :(7'45 '454'0' :(#7 $#56() 45 %022#5( $45# :#12%) 342#%(4&5 :(7'1> '1>4'0' :(#7 $#56() 45 %022#5( $45# :#12%) 342#%(4&5 %1771 :(2456#5%< &= $45# :#12%) FSo(46)( z %1771 z Go$&&:#H :$7'1> 72&D#%(#3 62134#5( 1;&B# ?)4%) :(#7:4K# 4: 2#30%#3 156'1> '1>4'0' 156$# ;#(?##5 :#12%) 342#%(4&5 153 @62134#5( 45('1> '1>4'0' 50';#2 &= 45(#27&$1(4&5: 302456 $45# :#12%) ON"Y C;47*C;4/6;B ;30 X*5C*4+/6;B 653)4;34) 213415 %&5B#2:4&5 =1%(&2 =2&' 213415: (& 3#62##: 74 50'#24%1$ B1$0# &= ()# 6#&'#(24% %&5:(15( :I2(74 50'#24%1$ B1$0# &= ()# :I012# 2&&( &= b4 $&6(#5 50'#24%1$ B1$0# &= ()# 51(021$ $&6 &= (#5 :I2((?& 50'#24%1$ B1$0# &= ()# :I012# 2&&( &= (?& (?&:4> 50'#24%1$ B1$0# &= ()# :4>() 2&&( &= (?& OI8"(> 6534+5B 59 C5B*6.B;+ 0E3;C/6) 4+;j*645+E 5=2## (&(1$ 50';#2 &= 3#62##: &= =2##3&' =&2 1 :<:(#' B#$:1B# =$16 (& :1B# B#$&%4(< B#%(&2 %&'7&5#5(: (& 1 =4$# =2%:1B# =$16 (& :1B# =&2%# B#%(&2 %&'7&5#5(: (& 1 =4$# 0453:1B# =$16 (& :1B# 4530%#3 1(&'4% 347&$#: (& 1 =4$# 45(#621(# (<7# &= '&$#%0$12 3<51'4%: 45(#621(4&5 1$6&24()'

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154 "#$%&' ()*+,) -./0* 154

O#$#ON X*3*+;B @;+;C*4*+) 95+ C/3/C/\;4/53) =%('45 B1$0# ;#$&? ?)4%) =05%(4&5 4: 3##'#3 &7(4'4K#3 )60#:: 454(41$ B1$0# =&2 ()# X@'1(24> 3416&51$ #$#'#5(: '1>4(#2 '1>4'0' 50';#2 &= 4(#21(4&5: 302456 &7(4'4K1(4&5 5#>(4(#2 4(#21(4&5 50';#2 (& 0:# =&2 ()# =42:( 4(#21(4&5 OJP?(P /30/^/0.;B C5B*6.B*) :/47/3 6.++*34 )E)4*C '&$'1:: '&$#%0$12 ?#46)( =&2 #1%) '&$#%0$# 45 ()# :<:(#' (&('1:: (&(1$ ?#46)( &= 1$$ ()# '&$#%0$#: 45 ()# :<:(#' 5'&$ (&(1$ 50';#2 &= :#7121(# '&$#%0$#: 45 ()# :<:(#' 8'&$ %&5(460&0: $4:( &= ()# 1(&': 45 #1%) '&$#%0$# 4'&$ =42:( 153 $1:( 1(&' &= #1%) '&$#%0$# 45 ()# $4:( '&$%0$# 50';#2 &= ()# '&$#%0$# (& ?)4%) #1%) 1(&' ;#$&56: OJPIR$ ^*B56/4E ;30 ;66*B*+;4/53 53 OI 4+;j*645+E B %022#5( B#$&%4(< &= #1%) 1(&' 1$&56 ()# >C<CK@1>#: 1 %022#5( 1%%#$#21(4&5 &= #1%) 1(&' 1$&56 >C<CK@1>#: 1&$3 72#B4&0: 1%%#$#21(4&5 &= #1%) 1(&' 1$&56 >C<CK@1>#: OJO&$" 65C@53*34) 59 *B*64+/6 C.B4/@5B* C5C*34) 5#(%)6 5#( #$#%(24% %)126# =&2 ()# (&(1$ :<:(#' 5#(37$ 347&$# '&'#5( '1654(03# =&2 ()# (&(1$ :<:(#' 5#(I37 3416&51$ I013207&$# Fh>>C h<<C hKKH =&2 :<:(#' >37$ 347&$# B#%(&2 >@%&'7&5#5( 45 ()# 6$&;1$ =21'# <37$ 347&$# B#%(&2 <@%&'7&5#5( 45 ()# 6$&;1$ =21'# K37$ 347&$# B#%(&2 K@%&'7&5#5( 45 ()# 6$&;1$ =21'# >>I37 I013207&$# (#5:&2 >>@%&'7&5#5( 45 6$&;1$ =21'# ><I37 I013207&$# (#5:&2 ><@%&'7&5#5( 45 6$&;1$ =21'# >KI37 I013207&$# (#5:&2 >K@%&'7&5#5( 45 6$&;1$ =21'# <>I37 I013207&$# (#5:&2 <>@%&'7&5#5( 45 6$&;1$ =21'# <<I37 I013207&$# (#5:&2 <<@%&'7&5#5( 45 6$&;1$ =21'# <KI37 I013207&$# (#5:&2 <K@%&'7&5#5( 45 6$&;1$ =21'# K>I37 I013207&$# (#5:&2 K>@%&'7&5#5( 45 6$&;1$ =21'# K<I37 I013207&$# (#5:&2 K<@%&'7&5#5( 45 6$&;1$ =21'# KKI37 I013207&$# (#5:&2 KK@%&'7&5#5( 45 6$&;1$ =21'# OGPGJ" )@*6/9/6) 59 ;45C/6 C.B4/@5B* 9.364/53) 'J:%1$# =1%(&2 ;< ?)4%) G@J '0$(47&$# 45(#21%(4&5: 12# :%1$#3 'L:%1$# =1%(&2 ;< ?)4%) G@L '0$(47&$# 45(#21%(4&5: 12# :%1$#3 'M:%1$# =1%(&2 ;< ?)4%) G@M '0$(47&$# 45(#21%(4&5: 12# :%1$#3 'N:%1$# =1%(&2 ;< ?)4%) G@N '0$(47&$# 45(#21%(4&5: 12# :%1$#3 OGJP& C.B4/@5B* 65C@53*34) 95+ 6.++*34 )4+.64.+* '1>7&$# '1> %&'7&5#5(: F'&5&7&$#oGC347&$#oMCI013207&$#oGLH

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155 "#$%&' ()*+,) -./0* 155

7&$# '0$(47&$# B1$0#: =&2 #1%) :4(# 45 ()# $&%1$ =21'# 27&$# '0$(47&$#: 2&(1(#3 (& ()# 6$&;1$ %&&23451(# :<:(#' 57&$# (&(1$ 50';#2 &= '0$(47&$# :4(#: 45 ()# :<:(#' 47&$# 50';#2 &= ()# 1(&' =&2 #1%) '0$(47&$# :4(# 7&$:4K 50';#2 &= '0(47&$# %&'7&5#5(: 1( #1%) '0$(47&$# :4(# K1>4: 50';#2 &= ()# K@1>4: 3#=45456 1(&' =&2 #1%) :4(# >1>4: 50';#2 &= ()# >@1>4: 3#=45456 1(&' =&2 #1%) :4(# <1>4: 50';#2 &= ()# <@1>4: 3#=45456 1(&' =&2 #1%) :4(# 7&$1># $&%1$ 1>4: (<7# =&2 #1%) '0$(47&$# :4(# O("N$" 7EA+/0 ;45C) 95+ 9+** *3*+XE @*+4.+A;4/53 $1';31 ?#46)(456 &= 454(41$ :(1(# 45 )<;243 X1'4$(&5415 5)<;243 50';#2 &= 1(&': '0(1(#3 =2&' 454(41$ (& =451$ :(1(# 4)<;243 1(&'4% :4(#: 34==#2456 45 454(41$ 153 =451$ :(1(# (<7#S 1(&' (<7# &= #1%) 1(&' 45 ()# 454(41$ :(1(# :<:(#' %$1::S 1(&' %$1:: &= #1%) 1(&' 45 ()# 454(41$ :(1(# :<:(#' (<7#G 1(&' (<7# &= #1%) 1(&' 45 ()# =451$ :(1(# :<:(#' %$1::G 1(&' %$1:: &= #1%) 1(&' 45 ()# =451$ :(1(# :<:(#' 1$(#2 (20# 4= 15 1(&' 4: (& ;# '0(1(#3C =1$:# &()#2?4:# $(?P&J @;+;C*4*+) 95+ 3.6B*/6 ;6/0 )4+.64.+* ;8;&5# 7)&:7)1(# ;1%8;&5# 156$#: =&2 #1%) 50%$#&(43# 6$<%& 6$<%&:434% (&2:4&51$ 156$# =&2 #1%) 50%$#&(43# 70%8#2 :0612 70%8#2C #4()#2 JoJ[@#53& &2 LoL[@#53& 3;$)$> =$16 (& '128 :<:(#' 1: 50%$#4% 1%43 3&0;$# )#$4> 3#&>< =$16 (& '128 3#&><24;&:# &2 24;&:# :0612 054(: )$>=&2' )#$4> =&2' F\C d &2 jH &= 7&$<50%$#&(43# :(2153: JO&-N 0/7*0+;B) 95+ 45+)/53;B )@;6* [email protected];4/53) 34)#3 %022#5( B1$0# 45 213415: &= #1%) 34)#321$ 156$# 5&'#61 50';#2 &= 34)#321$ 156$#: 1$$&?#3 (& 2&(1(# 4&'#61 50';#2: &= (?& 1(&': 3#=45456 2&(1(4&5 1>4: K$45# $45# 50';#2 45 j@'1(24> &= #1%) 34)#321$ 156$# JGV&$I 5.4`59`@B;3* A*30) /3 47* 6.++*34 )4+.64.+* 8&7; =&2%# %&5:(15( B1$0#: =&2 &0(@&=@7$15# ;#53456 5&7;#53 (&(1$ 50';#2 &= &0(@&=@7$15# ;#53: 45 ()# :<:(#' 4&7; ;&53 156$# 50';#2: 0:#3 45 &0(@&=@7$15# ;#53456 JGI#8" 5.4`59`@B;3* 0/)4;36*) /3 6.++*34 )4+.64.+* 8&73 =&2%# %&5:(15( B1$0#: =&2 &0(@&=@7$15# 34:(15%# 5&734:( (&(1$ 50';#2 &= &0(@&=@7$15# 34:(15%#: 45 ()# :<:(#' 4&7; 50';#2: &= ()# 1(&': 45 #1%) &0(@&=@7$15# 34:(15%# J'V#"8 5+A/4;B *3*+X/*) 95+ 653j.X;4*0 @/)E)4*C

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156 "#$%&' ()*+,) -./0* 156

I 50';#2 &= 74@#$#%(2&5: %&5(24;0(#3 ;< #1%) 1(&' ? 4&54K1(4&5 7&(#5(41$ &= #1%) 74:<:(#' 1(&' #' 2#70$:4&5 45(#621$ =&2 #1%) 74:<:(#' 1(&' 5=4$$ 50';#2 &= =4$$#3 74:<:(#' '&$#%0$12 &2;4(1$: J("G(" 6534+5B 59 655+0/3;4* [email protected] 9/B* 95+C;4 12%)4B# $&64%1$ =$16 (& :1B# :(20%(02#: 45 15 12%)4B# 5&B#2:4&5 $&64%1$ =$16 6&B#25456 0:# &= =4$#51'# B#2:4&5: &B#2?24(# $&64%1$ =$16 (& &B#2?24(# 45(#2'#341(# =4$#: 457$1%# %<%$#:1B# $&64%1$ =$16 (& '128 0:# &= 50';#2#3 %<%$# =4$#: %&&23(<7# :#$#%(: U12(#:415C 45(#251$C 24643 ;&3< &2 5&5# GN'NO8 6534*34) 59 95+6* 9/*B0 @;+;C*4*+ 9/B* 572' 50';#2 &= 5&5;$158 $45#: 45 ()# 7121'#(#2 =4$# 72'$45# %&5(#5(: &= #1%) 4534B4301$ 7121'#(#2 =4$# $45# GN"Y8 @;+;C*4*+) 95+ &BA*+ +*;64/53 @;47 C*4750 7S 2#1%(15( U12(#:415 %&&23451(#: 1: B1241;$#: 7G 72&30%( U12(#:415 %&&23451(#: 1: B1241;$#: 7'43 '437&45( ;#(?##5 ()# 2#1%(15( 153 72&30%( 7B#%( B#%(&2 %&55#%(456 ()# 2#1%(15( 153 72&30%( 7:(#7 :(#7 7#2 %<%$# 1$&56 2#1%(15(@72&30%( B#%(&2 7K#( %022#5( 72&D#%(4&5 &5 2#1%(15(@72&30%( B#%(&2 75&2' $#56() &= ()# 2#1%(15(@72&30%( B#%(&2 1%&#== (215:=&2'1(4&5 '1(24> [\[ =2&' .$;#2 717#2 6% 62134#5(: &= ()# 71() %&5:(2145(: GIV 0*9/3/4/53 59 ; G+54*/3 I;4; V;3m )4+.64.+* >73; >@%&&23451(# &= #1%) 1(&' :(&2#3 45 bYd =&2'1( <73; <@%&&23451(# &= #1%) 1(&' :(&2#3 45 bYd =&2'1( K73; K@%&&23451(# &= #1%) 1(&' :(&2#3 45 bYd =&2'1( 573; 50';#2 &= 1(&': :(&2#3 45 b2&(#45 Y1(1 d158 =&2'1( 2#:50' 50';#2 &= ()# 2#:430# (& ?)4%) #1%) 1(&' ;#$&56: 573;GJ 50';#2 &= 1(&': 342#%($< ;&53#3 (& #1%) UV,.U* 1(&' 473;GJ 1(&' 50';#2: &= 1(&': %&55#%(#3 (& #1%) UV,.U* 1(&' 73;$4:( $4:( &= ()# b2&(#45 Y1(1 d158 1(&' 50';#2 &= #1%) 1(&' 73;(<7 b2&(#45 Y1(1 d158 2#%&23 (<7# 1::465#3 (& #1%) 1(&' 1('51' b2&(#45 Y1(1 d158 1(&' 51'# 1::465#3 (& #1%) 1(&' 2#:51' b2&(#45 Y1(1 d158 2#:430# 51'# 1::465#3 (& #1%) 1(&' GY#G8# @7/`@)/`5C*X;`67/ ;3XB*) 95+ ; @+54*/3 7)4 B1$0# &= ()# 7)4 156$# =&2 #1%) 1'45& 1%43 2#:430# 7:4 B1$0# &= ()# 7:4 156$# =&2 #1%) 1'45& 1%43 2#:430# &'#61 B1$0# &= ()# &'#61 156$# =&2 #1%) 1'45& 1%43 2#:430# %)4 B1$0#: &= ()# %)4 156$#: =&2 #1%) 1'45& 1%43 2#:430# %)421$ %)421$4(< &= #1%) 1'45& 1%43 2#:430# FGo_C @GoYH

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157 "#$%&' ()*+,) -./0* 157

34:0$= 2#:430# D&45#3 (& #1%) 2#:430# B41 1 34:0$=43# $458 G#J'V8 653j.X;4*0 )E)4*C /3 47* 6.++*34 )4+.64.+* 5&2;4( (&(1$ 50';#2 &= 74:<:(#' &2;4(1$: 45 ()# :<:(#' 4&2;4( 50';#2: &= ()# 1(&': %&5(145456 74:<:(#' &2;4(1$: 2#&2;4( 50';#2 &= #B1$01(4&5: ;#(?##5 &2;4(1$ 0731(#: 747#27 1(&': 3#=45456 1 5&2'1$ 7$15# (& #1%) &2;4(1$ 5;74 (&(1$ 50';#2 &= ;&53: 1==#%(#3 ;< ()# 74:<:(#' ;74 ;&53 153 741(&' 50';#2: =&2 #1%) 74:<:(#' ;&53 5(74 (&(1$ 50';#2 &= (&2:4&5: 1==#%(#3 ;< ()# 74:<:(#' (74 (&2:4&5 153 74;&53 50';#2: =&2 #1%) 74:<:(#' (&2:4&5 $4:(74 1(&' $4:( 4534%1(456 ?)#()#2 #1%) 1(&' )1: 15 &2;4(1$ G#8"(> A530) ;30 45+)/53) /3 47* 6.++*34 @/)E)4*C ;874 ;&53 :(2#(%) =&2%# %&5:(15(: =&2 74@;&53 &23#2 &= GAS ;$74 43#1$ ;&53 $#56() B1$0#: =&2 1 74@;&53 &23#2 &= GAS 8:$&7# 21(# &= =&2%# %&5:(15( 3#%2#1:# ?4() ;&53 &23#2 3#%2#1:# $:$&7# 21(# &= ;&53 $#56() 45%2#1:# ?4() 1 ;&53 &23#2 3#%2#1:# (&2:7J J@=&$3 (&2:4&51$ #5#26< ;1224#2 =&2 74@;&53 &23#2 &= GAS G#"J'8 @/`5+A/4;B 45+)/53) /3 47* 6.++*34 )4+.64.+* 874( J@=&$3 74@&2;4(1$ (&2:4&51$ =&2%# %&5:(15(: 574(&2: (&(1$ 50';#2 &= 74@&2;4(1$ (&2:4&51$ 45(#21%(4&5: 474( 50';#2: &= ()# 1(&': 45 #1%) 74@&2;4(1$ (&2:4&5 GO& @;+;C*4*+) 95+ @;+4/6B* C*)7 &:;B0 ).CC;4/53 '1>==( '1>4'0' 50';#2 &= 7&45(: 1$&56 #1%) ]]* 342#%(4&5 '1>&23#2 '1>4'0' &23#2 &= ()# d@:7$45# 1772&>4'1(4&5 '1>(1;$# '1>4'0' :4K# &= ()# ]]* (1;$# 1221< '1>6243 '1>4'0' 34'#5:4&5 &= ()# bT. %)126# 6243 1221< ;:'&3G d@:7$45# '&30$4 1$&56 ()# 1@1>4: 342#%(4&5 ;:'&3J d@:7$45# '&30$4 1$&56 ()# ;@1>4: 342#%(4&5 ;:'&3L d@:7$45# '&30$4 1$&56 ()# %@1>4: 342#%(4&5 (1;$# 45(#2'#341(# 1221< 0:#3 ;< ()# ]]* %1$%0$1(4&5 5==(G 50';#2 &= 6243 7&45(: 1$&56 ()# 1@1>4: 342#%(4&5 5==(J 50';#2 &= 6243 7&45(: 1$&56 ()# ;@1>4: 342#%(4&5 5==(L 50';#2 &= 6243 7&45(: 1$&56 ()# %@1>4: 342#%(4&5 ;:&23#2 &23#2 &= ()# bT. d@:7$45# 1772&>4'1(4&5 GJPN' @5B;+/\;A/B/4/*) ;30 /30.6*0 0/@5B* C5C*34) 7&$124(< 347&$# 7&$124K1;4$4(< =&2 #1%) '0$(47&$# :4(# F\56wwLH 731'7 B1$0# &= 7&$124K1;4$4(< 31'7456 =1%(&2 =&2 #1%) :4(# 0453 4530%#3 347&$# %&'7&5#5(: 1( #1%) '0$(47&$# :4(# 0457 4530%#3 347&$#: 45 =4#$3 0:#3 =&2 #5#26< 45(#21%(4&5: 57&$12 (&(1$ 50';#2 &= 7&$124K1;$# :4(#: 45 ()# :<:(#'

Page 159: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

158 "#$%&' ()*+,) -./0* 158

GJP-'G @5B;+/\;AB* )/4* X+5.@ 6533*64/^/4E B/)4) '1>7GG '1>4'0' 50';#2 &= 1(&': 45 1 7&$124K1(4&5 62&07 '1>7GJ '1>4'0' 50';#2 &= 1(&': 45 62&07: G@J (& 15 1(&' '1>7GL '1>4'0' 50';#2 &= 1(&': 45 62&07: G@L (& 15 1(&' '1>7GM '1>4'0' 50';#2 &= 1(&': 45 62&07: G@M (& 15 1(&' 57GG 50';#2 &= 1(&': 45 7&$124K1(4&5 62&07 &= #1%) 1(&' 47GG 1(&' 50';#2: &= 1(&': 45 :1'# 62&07 1: #1%) 1(&' 57GJ 50';#2 &= 1(&': 45 62&07: G@J (& #1%) 1(&' 47GJ 1(&' 50';#2: &= 1(&': 45 62&07: G@J (& #1%) 1(&' 57GL 50';#2 &= 1(&': 45 62&07: G@L (& #1%) 1(&' 47GL 1(&' 50';#2: &= 1(&': 45 62&07: G@L (& #1%) 1(&' 57GM 50';#2 &= 1(&': 45 62&07: G@M (& #1%) 1(&' 47GM 1(&' 50';#2: &= 1(&': 45 62&07: G@M (& #1%) 1(&' GJPGJ" )@*6/9/6) 59 @5B;+/\;4/53 9.364/53;B 95+C 7&$#7: 4530%#3 347&$# %&5B#26#5%# %24(#24&5 F2': Y#;<#:a1(&'H 7&$:&2 4530%#3 347&$# WV/ %&5B#26#5%# 1%%#$#21(4&5 =1%(&2 761''1 72#=1%(&2 45 #>7&5#5(41$ 7&$124K1(4&5 31'7456 (#2' 7J:%1$# =4#$3 G@J :%1$# =1%(&2 =&2 #5#26< #B1$01(4&5: 7L:%1$# =4#$3 G@L :%1$# =1%(&2 =&2 #5#26< #B1$01(4&5: 7M:%1$# =4#$3 G@M :%1$# =1%(&2 =&2 #5#26< #B1$01(4&5: 7N:%1$# =4#$3 G@N :%1$# =1%(&2 =&2 #5#26< #B1$01(4&5: 3G:%1$# =4#$3 45(21@62&07 :%1$# =1%(&2 =&2 342#%( 4530%#3 3J:%1$# =4#$3 G@J 62&07 :%1$# =1%(&2 =&2 342#%( 4530%#3 3L:%1$# =4#$3 G@L 62&07 :%1$# =1%(&2 =&2 342#%( 4530%#3 3M:%1$# =4#$3 G@M 62&07 :%1$# =1%(&2 =&2 342#%( 4530%#3 0G:%1$# =4#$3 45(21@62&07 :%1$# =1%(&2 =&2 '0(01$ 4530%#3 0J:%1$# =4#$3 G@J 62&07 :%1$# =1%(&2 =&2 '0(01$ 4530%#3 0L:%1$# =4#$3 G@L 62&07 :%1$# =1%(&2 =&2 '0(01$ 4530%#3 0M:%1$# =4#$3 G@M 62&07 :%1$# =1%(&2 =&2 '0(01$ 4530%#3 7&$(<7 (<7# &= 7&$124K1(4&5 7&(#5(41$ F342#%( &2 '0(01$H GJ"&$" .);X* 59 *;67 @54*34/;B *3*+XE 65C@53*34 0:#y;&53 $&64%1$ =$16 6&B#25456 0:# &= ;&53 :(2#(%) 7&(#5(41$ 0:#y156$# $&64%1$ =$16 6&B#25456 0:# &= 156$# ;#53 7&(#5(41$ 0:#y:(2;53 $&64%1$ =$16 6&B#25456 0:# &= :(2#(%)@;#53 7&(#5(41$ 0:#y02#< $&64%1$ =$16 6&B#25456 0:# &= ^2#<@d213$#< 7&(#5(41$ 0:#y156156 $&64%1$ =$16 6&B#25456 0:# &= 156$#@156$# %2&:: (#2' 0:#y&7;#53 $&64%1$ =$16 6&B#25456 0:# &= &0(@&=@7$15# ;#53 (#2' 0:#y&734:( $&64%1$ =$16 6&B#25456 0:# &= &0(@&=@7$15# 34:(15%# 0:#y4'72&7 $&64%1$ =$16 6&B#25456 0:# &= 4'72&7#2 34)#321$ (#2' 0:#y4'7(&2 $&64%1$ =$16 6&B#25456 0:# &= 4'72&7#2 (&2:4&5 (#2' 0:#y(&2: $&64%1$ =$16 6&B#25456 0:# &= (&2:4&51$ 7&(#5(41$ 0:#y74(&2: $&64%1$ =$16 6&B#25456 0:# &= 74@&2;4(1$ (&2:4&5 (#2' 0:#y:(2(&2 $&64%1$ =$16 6&B#25456 0:# &= :(2#(%)@(&2:4&5 (#2' 0:#y(&2(&2 $&64%1$ =$16 6&B#25456 0:# &= (&2:4&5@(&2:4&5 (#2' 0:#yB3? $&64%1$ =$16 6&B#25456 0:# &= B3? 3#2 "11$: 7&(#5(41$ 0:#y%)126# $&64%1$ =$16 6&B#25456 0:# &= %)126#@%)126# 7&(#5(41$ 0:#y%)637$ $&64%1$ =$16 6&B#25456 0:# &= %)126#@347&$# 7&(#5(41$

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159 "#$%&' ()*+,) -./0* 159

0:#y347&$# $&64%1$ =$16 6&B#25456 0:# &= 347&$#@347&$# 7&(#5(41$ 0:#y'7&$# $&64%1$ =$16 6&B#25456 0:# &= '0$(47&$# 7&(#5(41$ 0:#y7&$12 $&64%1$ =$16 6&B#25456 0:# &= 7&$124K1(4&5 (#2' 0:#y2>5=$3 $&64%1$ =$16 6&B#25456 0:# &= 2#1%(4&5 =4#$3 (#2' 0:#y:&$B $&64%1$ =$16 6&B#25456 0:# &= :02=1%# 12#1 :&$B1(4&5 0:#y6;:1 $&64%1$ =$16 6&B#25456 0:# &= edaW\ :&$B1(4&5 (#2' 0:#y'#(1$ $&64%1$ =$16 6&B#25456 0:# &= $46153 =4#$3 (#2' 0:#y6#&' $&64%1$ =$16 6&B#25456 0:# &= 6#&'#(24% 2#:(2145(: 0:#y#>(21 $&64%1$ =$16 6&B#25456 0:# &= #>(21 7&(#5(41$ (#2' 0:#y&2;4( $&64%1$ =$16 6&B#25456 0:# &= 74:<:(#' %&'70(1(4&5 G'&?#8 ^;B.*) 59 C;67/3* @+*6/)/53 45B*+;36*) (45< ()# :'1$$#:( 7&:4(4B# =$&1(456 7&45( B1$0# :'1$$ ()# :'1$$#:( 2#$1(4B# =$&1(456 7&45( :71%456 )06# ()# $126#:( 2#$1(4B# =$&1(456 7&45( :71%456 '&>&' )45+;X* 59 +*9*+*36* ;45C/6 655+0/3;4* )*4 >2#= 2#=#2#5%# >@%&&23451(# =&2 #1%) 1(&' 45 ()# :<:(#' <2#= 2#=#2#5%# <@%&&23451(# =&2 #1%) 1(&' 45 ()# :<:(#' K2#= 2#=#2#5%# K@%&&23451(# =&2 #1%) 1(&' 45 ()# :<:(#' 52#= (&(1$ 50';#2 &= 1(&': 45 ()# 2#=#2#5%# :<:(#' 2#=(<7 1(&' (<7# =&2 #1%) 1(&' 45 ()# 2#=#2#5%# :<:(#' 5GJ2#= 50';#2 &= 1(&': ;&53#3 (& #1%) 2#=#2#5%# 1(&' 4GJ2#= 1(&' 50';#2: &= 1(&': G@J %&55#%(#3 (& #1%) 1(&' 2#=$#56 $#56() 45 %)121%(#2: &= ()# 2#=#2#5%# =4$#51'# 2#=$(4($# $#56() 45 %)121%(#2: &= ()# 2#=#2#5%# (4($# :(2456 2#=51' 1(&' 51'# =&2 #1%) 1(&' 45 ()# 2#=#2#5%# :<:(#' 2#==4$# ;1:# =4$#51'# =&2 ()# 2#=#2#5%# :(20%(02# 2#=(4($# (4($# 0:#3 (& 3#:%24;# ()# 2#=#2#5%# :(20%(02# '&8I(& )4;30;+0 A/5@5BEC*+ +*)/0.* ;AA+*^/;4/53) 1'45& ()2##@$#((#2 1;;2#B41(4&5: =&2 1'45& 1%43: (<7#: 50%$K ()2##@$#((#2 1;;2#B41(4&5: =&2 50%$#4% 1%43: (<7#: 1'45&G &5#@$#((#2 1;;2#B41(4&5: =&2 1'45& 1%43: (<7#: 50%$KG &5#@$#((#2 1;;2#B41(4&5: =&2 50%$#4% 1%43: (<7#: '-IIR$ ^*B56/4/*) ;30 C5C*34; 95+ +/X/0 A50E OI B%' %022#5( (215:$1(4&51$ B#$&%4(< &= #1%) 24643 ;&3< ?%' %022#5( 1560$12 B#$&%4(< &= #1%) 24643 ;&3< $' %022#5( 1560$12 '&'#5(0' &= #1%) 24643 ;&3< $45#12 $&64%1$ =$16 (& '128 62&07 1: $45#12 &2 5&5$45#12 '#-#I +/X/0 A50E 655+0/3;4*) 95+ ;45C X+5.@) >2; 24643 ;&3< 2#=#2#5%# >@%&&23451(# =&2 #1%) 1(&' <2; 24643 ;&3< 2#=#2#5%# <@%&&23451(# =&2 #1%) 1(&' K2; 24643 ;&3< 2#=#2#5%# K@%&&23451(# =&2 #1%) 1(&'

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160 "#$%&' ()*+,) -./0* 160

2;% %022#5( 24643 ;&3< %&&23451(#: =&2 #1%) 62&07 0:#y24643 =$16 (& '128 0:# &= 24643 ;&3< %&&23451(# :<:(#' '#$- 3.CA*+ ;30 B56;4/53 59 )C;BB +/3X )4+.64.+*) 52456L (&(1$ 50';#2 &= L@'#';#2#3 2456: 45 ()# :<:(#' 42456L 50';#2: &= ()# 1(&': 45B&$B#3 45 #1%) L@2456 52456M (&(1$ 50';#2 &= M@'#';#2#3 2456: 45 ()# :<:(#' 42456M 50';#2: &= ()# 1(&': 45B&$B#3 45 #1%) M@2456 52456N (&(1$ 50';#2 &= N@'#';#2#3 2456: 45 ()# :<:(#' 42456N 50';#2: &= ()# 1(&': 45B&$B#3 45 #1%) N@2456 52456O (&(1$ 50';#2 &= O@'#';#2#3 2456: 45 ()# :<:(#' 42456O 50';#2: &= ()# 1(&': 45B&$B#3 45 #1%) O@2456 'J"N"& C5B*6.B* @;+4/4/53) 95+ +54;4/53 59 ; A530 52&( (&(1$ 50';#2 &= 1(&': '&B456 ?)#5 ;&53 2&(1(#: 2&( 1(&' 50';#2: &= 1(&': '&B456 ?)#5 ;&53 2&(1(#: 0:#y:)&2( $&64%1$ =$16 6&B#25456 0:# &= :)&2(#:( 1(&' $4:( 'Q$>PI +*;64/53 9/*B0 C;4+/H *B*C*34) ;30 /30/6*) ;G =42:( 2#1%(4&5 =4#$3 '1(24> #$#'#5( 1221< ;J :#%&53 2#1%(4&5 =4#$3 '1(24> #$#'#5( 1221< 4D8 4534%#: 45(& ()# 2#1%(4&5 =4#$3 #$#'#5( 1221<: 'Q$GJ" )@*6/9/6) 59 +*;64/53 9/*B0 9.364/53;B 95+C 2=:4K# 21340: &= 2#1%(4&5 =4#$3 :7)#2# %#5(#2#3 1( &24645 2=;0$83 ;0$8 34#$#%(24% %&5:(15( &= 2#1%(4&5 =4#$3 %&5(4500' 2=(#2': 50';#2 &= (#2': (& 0:# 45 2#1%(4&5 =4#$3 :0''1(4&5 8?NP&8 @;+;C*4*+ )6;B* 9;645+) 95+ 5@4/C/\;4/53 :%1$# '0$(47$4%1(4B# =1%(&2 =&2 #1%) &7(4'4K1(4&5 7121'#(#2 :#(y:%1$# $&64%1$ =$16 (& :)&? 4= :%1$# =1%(&2: )1B# ;##5 :#( 8&K(&$ )*d.*36* /395+C;4/53 95+ ; A/5@5BEC*+ 5:#I (&(1$ 50';#2 &= 2#:430#: 45 ;4&7&$<'#2 :#I0#5%#: 5%)145 50';#2 &= :#7121(# ;4&7&$<'#2 :#I0#5%# %)145: 4%)145 =42:( 153 $1:( 2#:430# 45 #1%) ;4&7&$<'#2 %)145 :#I(<7 2#:430# (<7# =&2 #1%) 2#:430# 45 ()# :#I0#5%# :#I ()2##@$#((#2 %&3# =&2 #1%) 2#:430# 45 ()# :#I0#5%# %)551' &5#@$#((#2 43#5(4=4#2 =&2 #1%) :#I0#5%# %)145 8YN%& 0*9/3/4/53 59 87;m*c';44B* 653)4+;/34) 821( 43#1$ 34:(15%# B1$0# =&2 21(($# %&5:(2145( 521( 50';#2 &= 21(($# 34:(15%# %&5:(2145(: (& 177$< 521(> 50';#2 &= 1(&' 62&07 :71(41$ %&5:(2145(: (& 177$<

Page 162: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

161 "#$%&' ()*+,) -./0* 161

421( 1(&' 50';#2: &= 1(&': 45 1 21(($# %&5:(2145( 421(> 62&07 50';#2 &= 62&07 45 1 :71(41$ %&5:(2145( 821(> :71(41$ %&5:(2145( (<7# FGo7$15#C Jo$45#C Lo7&45(H 21(4'16# =$16 (& 0:# '454'0' 4'16# =&2 21(($# %&5:(2145( 0:#y21(($# $&64%1$ =$16 (& :#( 0:# &= 21(($# %&5(2145(: 8Y($" @5BE35C/;B ):/467/3X 9.364/53 65*99/6/*34) &== 34:(15%# 1( ?)4%) ()# 7&(#5(41$ #5#26< 6&#: (& K#2& &==J :I012# &= 34:(15%# 1( ?)4%) ()# 7&(#5(41$ 6&#: (& K#2& %0( 34:(15%# 1( ?)4%) :?4(%)456 &= ()# 7&(#5(41$ ;#645: %0(J :I012# &= 34:(15%# 1( ?)4%) ()# :?4(%)456 ;#645: %S K#2&() &23#2 %&#==4%4#5( &= '0$(47$4%1(4B# :?4(%) %G =42:( &23#2 %&#==4%4#5( &= '0$(47$4%1(4B# :?4(%) %J :#%&53 &23#2 %&#==4%4#5( &= '0$(47$4%1(4B# :?4(%) %L ()423 &23#2 %&#==4%4#5( &= '0$(47$4%1(4B# :?4(%) %M =&02() &23#2 %&#==4%4#5( &= '0$(47$4%1(4B# :?4(%) %N =4=() &23#2 %&#==4%4#5( &= '0$(47$4%1(4B# :?4(%) =S K#2&() &23#2 %&#==4%4#5( &= 1334(4B# :?4(%) =05%(4&5 =G =42:( &23#2 %&#==4%4#5( &= 1334(4B# :?4(%) =05%(4&5 =J :#%&53 &23#2 %&#==4%4#5( &= 1334(4B# :?4(%) =05%(4&5 =L ()423 &23#2 %&#==4%4#5( &= 1334(4B# :?4(%) =05%(4&5 =M =&02() &23#2 %&#==4%4#5( &= 1334(4B# :?4(%) =05%(4&5 =N =4=() &23#2 %&#==4%4#5( &= 1334(4B# :?4(%) =05%(4&5 =O :4>() &23#2 %&#==4%4#5( &= 1334(4B# :?4(%) =05%(4&5 =P :#B#5() &23#2 %&#==4%4#5( &= 1334(4B# :?4(%) =05%(4&5 8#S&8 @;+;C*4*+ ^;B.*) 45 )*4 ;++;E 0/C*3)/53) u:4K#:A4u :#(: B1$0#: =&2 %24(4%1$ 1221< 34'#5:4&5: 0:#3 ()2&06)&0( ()# :&=(?12#l ()#:# 7121'#(#2: ?4$$=4> ()# :4K# &= ()# $126#:( :<:(#': ()1( %15 ;# )153$#3l B1$0#: (&& $126# =&2 ()# %&'70(#2[: '#'&2<153a&2 :?17 :71%# (& 1%%&'&31(# ?4$$ 2#:0$( 45 7&&2 7#2=&2'15%# &2 &0(246)( =14$02# 7121'#(#2E '1>4'0' 1$$&?#3 50';#2 &=E '1>1(' 1(&': 45 ()# '&$#%0$12 :<:(#' '1>B1$ 1(&': 342#%($< ;&53#3 (& 15 1(&' '1>627 0:#2@3#=45#3 62&07: &= 1(&': '1>(<7 =&2%# =4#$3 1(&' (<7# 3#=454(4&5: '1>%$1:: =&2%# =4#$3 1(&' %$1:: 3#=454(4&5: '1>72' $45#: 45 ()# 7121'#(#2 =4$# '1>8#< $45#: 45 ()# 8#<?&23 =4$# '1>2&( ;&53: =&2 (&2:4&51$ 2&(1(4&5 '1>B12 &7(4'4K1(4&5 B1241;$#: FB#%(&2 :(&216#H '1>&7( &7(4'4K1(4&5 B1241;$#: F'1(24> :(&216#H '1>)#:: &==@3416&51$ X#::415 #$#'#5(: '1>$46)( :4(#: =&2 '#()&3 &= $46)(: 5#46);&2: '1>B4; B4;21(4&51$ =2#I0#5%4#: '1>6#& 34:(15%# 6#&'#(2< 7&45(: '1>%#$$ 054( %#$$: 45 2#7$4%1(#3 %2<:(1$ '1>2456 L@C M@C &2 N@'#';#2#3 2456: '1>=4> 6#&'#(24% %&5:(2145(: 153 2#:(2145(:

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162 "#$%&' ()*+,) -./0* 162

'1>;4& ;4&7&$<'#2 1(&' 3#=454(4&5: '1>2#: 2#:430#: 45 ()# '1%2&'&$#%0$# '1>1'45& 1'45& 1%43 2#:430# (<7#: '1>50% 50%$#4% 1%43 2#:430# (<7#: '1>;53 %&B1$#5( ;&53: 45 '&$#%0$12 :<:(#' '1>156 ;&53 156$#: 45 '&$#%0$12 :<:(#' '1>(&2: (&2:4&51$ 156$#: 45 '&$#%0$12 :<:(#' '1>;4(&2 ;4(&2:4&5: 45 '&$#%0$12 :<:(#' '1>74 1(&': 45 %&5D061(#3 74:<:(#' '1>74; %&B1$#5( ;&53: 45B&$B456 74:<:(#' '1>74( (&2:4&51$ 156$#: 45B&$B456 74:<:(#' 8J?%&" 6534+5B @;+;C*4*+) 95+ )56m*4 65CC.3/6;4/53 205(<7 %1$%0$1(4&5 (<7# =&2 71::456 :&%8#( 45=&2'1(4&5 %:(#7 %022#5( &7(4'4K1(4&5 &2 3<51'4%: :(#7 50';#2 %3( %022#5( 3<51'4%: %0'0$1(4B# :4'0$1(4&5 (4'# %#5#26< %022#5( 7&(#5(41$ #5#26< =2&' :4'0$1(4&5 %3> %022#5( 62134#5( %&'7&5#5(: 1$&56 ()# >@1>4: %3< %022#5( 62134#5( %&'7&5#5(: 1$&56 ()# <@1>4: %3K %022#5( 62134#5( %&'7&5#5(: 1$&56 ()# K@1>4: :8(y454( $&64%1$ =$16 :#( (& (20# 1=(#2 :&%8#( 454(41$4K1(4&5 0:#y:&%8#( $&64%1$ =$16 6&B#25456 0:# &= #>(#251$ :&%8#(: 0:#y604 $&64%1$ =$16 (& :)&? *+,-./ ?1: 45B&8#3 =2&' e^+ %$&:456 $&64%1$ =$16 (& 4534%1(# gcT 153 :#2B#2 :)0(3&?5 8JP("& @;+;C*4*+) 95+ 6534/3..C )5B^;4/53 C50*B) 2:&$B 1(&'4% 21340: &= #1%) 1(&' =&2 %&5(4500' :&$B1(4&5 B:&$B 1(&'4% B&$0'# &= #1%) 1(&' =&2 %&5(4500' :&$B1(4&5 1:&$B 1(&'4% :&$B1(4&5 7121'#(#2: F8%1$a'&$#a\56wwJH 2;&25 d&25 21340: &= #1%) 1(&' =&2 edaW\ :&$B1(4&5 32; :&$B1(4&5 3#24B1(4B#: ?4() 2#:7#%( (& d&25 21344 3&==:#( 34#$#%(24% &==:#( (& %&5(4500' :&$B1(4&5 1(&'4% 21344 7G :456$#@1(&' :%1$# =1%(&2 =&2 151$<(4%1$ W(4$$ edaW\ 7J G@J 45(#21%(4&5 :%1$# =1%(&2 =&2 151$<(4%1$ W(4$$ edaW\ 7L G@L 45(#21%(4&5 :%1$# =1%(&2 =&2 151$<(4%1$ W(4$$ edaW\ 7M 5&5;&53#3 :%1$# =1%(&2 =&2 151$<(4%1$ W(4$$ edaW\ 7N :&=( %0(&== 7121'#(#2 =&2 151$<(4%1$ W(4$$ edaW\ 67&$ 7&$124K1(4&5 :#$=@#5#26< B1$0#: =&2 #1%) 1(&' :)%( &B#2$17 :%1$456 =1%(&2: =&2 X1?845:@U21'#2@*20)$12 edaW\ ?1%# u&'#61u B1$0#: =&2 1(&' %$1:: 7142: =&2 0:# ?4() \U. :J1%# u:46'1{Ju B1$0#: =&2 1(&' %$1:: 7142: =&2 0:# ?4() \U. 01%# u'0u B1$0#: =&2 1(&' %$1:: 7142: =&2 0:# ?4() \U. :&$B(<7 :&$B1(4&5 '&3#$ F\WbC W\W\C V,+V,C W*+__C XU*C \U.H 8"JIR$ 9+/64/53;B 65*99/6/*34) 95+ 8I 4+;j*645+E =24%(4&5 6$&;1$ =24%(4&51$ %&#==4%4#5( =&2 #>7&:#3 712(4%$# 61''1 1(&'4% =24%(4&51$ %&#==4%4#5(: =&2 #1%) 1(&' 0:#y:312#1 $&64%1$ =$16 (& 0:# :02=1%# 12#1 =24%(4&5 :%1$456

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163 "#$%&' ()*+,) -./0* 163

8"'V$I )4+*467`A*30) /3 47* 6.++*34 )4+.64.+* 8:; =&2%# %&5:(15( =&2 :(2#(%)@;#53 (#2': 5:(2;53 (&(1$ 50';#2 &= :(2#(%)@;#53 45(#21%(4&5: 4:; 156$# 153 ;&53 50';#2: 0:#3 45 :(2#(%)@;#53 8"'"J' )4+*467`45+)/53) /3 47* 6.++*34 )4+.64.+* 8:( G@C J@ 153 L@=&$3 :(2#(%)@(&2:4&5 =&2%# %&5:(15(: 5:(2(&2 (&(1$ 50';#2 &= :(2#(%)@(&2:4&5 45(#21%(4&5: 4:( (&2:4&5 153 ;&53 50';#2: 0:#3 45 :(2#(%)@(&2:4&5 8R$"'$ 0*9/3/4/53 59 )E367+535.) 4+;3)/4 @;47 ( B1$0# &= ()# 71() %&&23451(# FSo2#1%(15(C Go72&30%(H 7' 71() %&&23451(# =&2 #>(21 7&45( 45 I01321(4% (215:4( >'45G 2#1%(15( %&&23451(#: 1: 1221< &= &7(4'4K1(4&5 B1241;$#: >'45J 72&30%( %&&23451(#: 1: 1221< &= &7(4'4K1(4&5 B1241;$#: >' #>(21 %&&23451(# :#( =&2 I01321(4% :<5%)2&5&0: (215:4( "#"P&8 4/4B* 95+ 47* 6.++*34 C5B*6.B;+ )E)4*C $(4($# $#56() 45 %)121%(#2: &= ()# 5&5;$158 (4($# :(2456 (4($# (4($# 0:#3 (& 3#:%24;# ()# %022#5( :(20%(02# "J'GJ" )@*6/9/6) 59 45+)/53;B 9.364/53;B 95+C) 434)054( %&5B#2( 4'72&7#2 34)#321$ #5#26< (& 8%1$a'&$# 4(&2054( %&5B#2( 4'72&7#2 (&2:4&5 1'7$4(03#: (& 8%1$a'&$# (&2:054( %&5B#2( (&2:4&51$ 7121'#(#2 1'7$4(03#: (& 8%1$a'&$# 7(&2054( %&5B#2( 74@&2;4(1$ (&2:4&5 #5#26< (& 8%1$a'&$# :(&2054( %&5B#2( :(2#(%)@(&2:4&5 #5#26< (& 8%1$a'&$# ((&2054( %&5B#2( :(2#(%)@(&2:4&5 #5#26< (& 8%1$a'&$# "J'8 45+)/53;B ;3XB*) :/47/3 47* 6.++*34 )4+.64.+* (&2:G G@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) (&2:4&51$ 156$# (&2:J J@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) (&2:4&51$ 156$# (&2:L L@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) (&2:4&51$ 156$# (&2:M M@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) (&2:4&51$ 156$# (&2:N N@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) (&2:4&51$ 156$# (&2:O O@=&$3 1'7$4(03# 153 7)1:# =&2 #1%) (&2:4&51$ 156$# 5(&2: (&(1$ 50';#2 &= (&2:4&51$ 156$#: 45 ()# :<:(#' 4(&2: 50';#2: &= ()# 1(&': 45 #1%) (&2:4&51$ 156$# "J'"J' 45+)/53`45+)/53) /3 47* 6.++*34 )4+.64.+* 5(&2(&2 (&(1$ 50';#2 &= (&2:4&5@(&2:4&5 45(#21%(4&5: 4(( 1(&': 153 7121'#(#2 4534%#: =&2 (&2:4&5@(&2:4&5 "'&& @54*34/;B )C5547/3X M )*;+67 4+** B*^*B)

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164 "#$%&' ()*+,) -./0* 164

'1>7:: '1>4'0' 50';#2 &= 7&(#5(41$ :'&&()456 $#B#$: #(2## #5#26< 2#=#2#5%# B1$0# 1( ()# (&7 &= ()# (2## 4$#B#$ :'&&()456 3#=&2'1(4&5 B1$0# 1( #1%) (2## $#B#$ 5$#B#$ 50';#2 &= $#B#$: &= 7&(#5(41$ :'&&()456 0:#3 ($#"8 @7E)/6;B 653)4;34) ;30 .3/4 653^*+)/53) 1B&6132& \B&6132&[: 50';#2 F,H 45 712(4%$#:a'&$# ;&$(K'155 d&$(K'155 %&5:(15( F8dH 45 6w\56wwJa7:wwJa-a'&$# 61:%&5:( 43#1$ 61: %&5:(15( F/H 45 8%1$a'&$#a- $46)(:73 :7##3 &= $46)( 45 B1%00' F%H 45 %'a7: ;&)2 %&5B#2:4&5 =2&' d&)2: (& \56:(2&': D&0$# %&5B#2:4&5 =2&' %1$&24#: (& D&0$#: #B&$( %&5B#2:4&5 =2&' X12(2## (& #$#%(2&5@B&$(: )12(2## %&5B#2:4&5 =2&' X12(2## (& 8%1$a'&$# #$#%(24% %&5B#2:4&5 =2&' #$#%(2&5wwJa\56 (& 8%1$a'&$# 3#;<# %&5B#2:4&5 =2&' #$#%(2&5@\56 (& Y#;<#: 72#:%&5 %&5B#2:4&5 =2&' 8%1$a'&$#a\56wwL (& \(' %&5B#2( %&5B#2:4&5 =2&' 8%1$ (& 6w\56wwJa7:wwJ ('&R (+*E`V+;0B*E /34*+;64/53) /3 47* )4+.64.+* 08 ^2#<@d213$#< =&2%# %&5:(15(: F8%1$a'&$#a\56wwJH 0$ 43#1$ G@L 34:(15%# B1$0#: 45 \56:(2&': 502#< (&(1$ 50';#2 &= ^2#<@d213$#< (#2': 45 ()# :<:(#' 402< 50';#2: &= ()# 1(&': 45 #1%) ^2#<@d213$#< 45(#21%(4&5 ('RGJ" )@*6/9/6) 59 (+*E`V+;0B*E 9.364/53;B 95+C %02< %0;4% %&#==4%4#5( 45 ^2#<@d213$#< 7&(#5(41$ I02< I012(4% %&#==4%4#5( 45 ^2#<@d213$#< 7&(#5(41$ 02#<054( %&5B#2( ^2#<@d213$#< #5#26< (& 8%1$a'&$# (8N-& ;45C) ;64/^* 0.+/3X *3*+XE [email protected];4/53 50:# 50';#2 &= 1%(4B# 1(&': 0:#3 45 #5#26< %1$%0$1(4&5 0:# (20# 4= 15 1(&' 4: 1%(4B#C =1$:# 4= 451%(4B# ZI< ^;3 0*+ <;;B) @;+;C*4*+) 95+ 6.++*34 )4+.64.+* 213'45 '454'0' #5#26< 34:(15%# =&2 #1%) 1(&' %$1:: 7142 #7:4$&5 ?#$$ 3#7() 7121'#(#2 =&2 #1%) 1(&' %$1:: 7142 213'45M '454'0' #5#26< 34:(15%# =&2 G@M 45(#21%(4&5 7142: #7:4$&5M ?#$$ 3#7() 7121'#(#2 =&2 G@M 45(#21%(4&5 7142: 213);53 '454'0' #5#26< 34:(15%# =&2 )<32&6#5 ;&53456 7142: #7:);53 ?#$$ 3#7() 7121'#(#2 =&2 )<32&6#5 ;&53456 7142: 82#3 B1$0# &= 2#30%(4&5 =1%(&2 7121'#(#2 =&2 #1%) 1(&' 42#3 1((1%)#3 1(&' =2&' ?)4%) 2#30%(4&5 =1%(&2 4: 177$4#3 5B3? (&(1$ 50';#2 B15 3#2 "11$: 1%(4B# :4(#: 45 ()# :<:(#' 4B3? 50';#2 &= ()# 1(&' =&2 #1%) B15 3#2 "11$: 1%(4B# :4(#

Page 166: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

165 "#$%&' ()*+,) -./0* 165

ZI<GJ" )@*6/9/6) 59 ^;3 0*+ <;;B) 9.364/53;B 95+C 1;0%8 B1$0# &= u\u %&5:(15( 45 d0%8456)1' B3? 7&(#5(41$ ;;0%8 B1$0# &= udu %&5:(15( 45 d0%8456)1' B3? 7&(#5(41$ %;0%8 B1$0# &= uUu %&5:(15( 45 d0%8456)1' B3? 7&(#5(41$ 6)1$ B1$0# &= u61''1u 45 ;0==#2#3 GM@P B3? 7&(#5(41$ 3)1$ B1$0# &= u3#$(1u 45 ;0==#2#3 GM@P B3? 7&(#5(41$ BJ:%1$# =1%(&2 ;< ?)4%) G@J B3? 45(#21%(4&5: 12# :%1$#3 BL:%1$# =1%(&2 ;< ?)4%) G@L B3? 45(#21%(4&5: 12# :%1$#3 BM:%1$# =1%(&2 ;< ?)4%) G@M B3? 45(#21%(4&5: 12# :%1$#3 BN:%1$# =1%(&2 ;< ?)4%) G@N B3? 45(#21%(4&5: 12# :%1$#3 4610:: %&#==4%4#5(: &= e10::415 =4( (& B3? 7&(#5(41$ 5610:: 50';#2 &= e10::415: 0:#3 45 =4( (& B3? 7&(#5(41$ B3?(<7 (<7# &= B15 3#2 "11$: 7&(#5(41$ #5#26< =05%(4&5 213(<7 (<7# &= 7121'#(#2 F:46'1 &2 /@'45H =&2 1(&'4% :4K# 213:4K 1(&'4% :4K# 72&B43#3 1: 21340: &2 341'#(#2 21320$# %&';45456 20$# =&2 1(&'4% :4K# 7121'#(#2: #7:20$# %&';45456 20$# =&2 B3? ?#$$ 3#7() 7121'#(#2: 610::(<7 (<7# &= e10::415 =4( (& B15 3#2 "11$: 7&(#5(41$ Z#'#NP 65C@53*34) 59 /34*+3;B ^/+/;B 4*3)5+ B42 (&(1$ 45(#251$ B4241$ U12(#:415 (#5:&2 %&'7&5#5(: <N'G @;+;C*4*+) 95+ @54*34/;B ).+9;6* )C5547/3X 'J :#%&53 '&'#5( &= ()# eY\ 610::415 =&2 #1%) 1(&' 3#=&2' B1$0# &= ()# :'&&()456 3#=&2'1(4&5 7121'#(#2 34==( 34==0:4&5 %&#==4%4#5( =&2 (&2:4&51$ 7&(#5(41$ 34==B 34==0:4&5 %&#==4%4#5( =&2 B15 3#2 "11$: 7&(#5(41$ 34==% 34==0:4&5 %&#==4%4#5( =&2 %)126#@%)126# 7&(#5(41$ 0:#y:'&&() =$16 (& 0:# 1 7&(#5(41$ #5#26< :'&&()456 '#()&3 0:#y3#' =$16 (& 0:# 34==0:4&5 #I01(4&5 '#()&3 7&(#5(41$ 0:#y631 =$16 (& 0:# 610::415 3#5:4(< 155#1$456 7&(#5(41$ 0:#y(&7)1( =$16 (& 0:# 151$<(4%1$ (&7)1( :'&&()#3 7&(#5(41$ 0:#y:(&7)1( =$16 (& 0:# :)4=(#3 (&7)1( :'&&()#3 7&(#5(41$ Q"NP8 6+E)4;B )4+.64.+*) 95+ @;+;C*4*+ 9/44/3X #Sy$1((4%# 43#1$ $1((4%# #5#26< =&2 ()# %022#5( %2<:(1$ '&'#5(yS 43#1$ 347&$# '&'#5( =&2 '&5&'#2 =2&' %2<:(1$ 5>(1$ 50';#2 &= %2<:(1$ :(20%(02#: (& ;# :(&2#3 5B12< 50';#2 &= 7&(#5(41$ 7121'#(#2: (& &7(4'4K# 4B12< 453#> =&2 ()# (<7#: &= 7&(#5(41$ 7121'#(#2: B12< 1(&' 50';#2: 45B&$B#3 45 7&(#5(41$ 7121'#(#2: 42#:43 %2<:(1$ :(20%(02# (& ?)4%) #1%) 2#:4301$ 2#=#2: 2:3(<7 #>7#24'#5(1$ B1241;$# =&2 #1%) &= ()# 2#:4301$: B12(<7 (<7# &= 7&(#5(41$ 7121'#(#2 (& ;# &7(4'4K#3 S?PJ8& +/3X 5@*3/3X) ;30 6B5).+*) 95+ S`C;4+/H

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166 "#$%&' ()*+,) -./0* 166

5133 50';#2 &= 133#3 ;&53: ;#(?##5 j@'1(24> 1(&': 4133 50';#2: &= ()# 1(&' 7142: 3#=45456 133#3 ;&53: 53#$ 50';#2 &= ;&53: ;#(?##5 j@'1(24> ;&53: (& 3#$#(# 43#$ 50';#2: &= ()# 1(&' 7142: 3#=45456 3#$#(#3 ;&53: S?JJ'I S`C;4+/H /34*+3;B 655+0/3;4* 0*9/3/4/53) K;&53 ;&53 $#56() 0:#3 (& 3#=45# #1%) j@'1(24> 1(&' K156 ;&53 156$# 0:#3 (& 3#=45# #1%) j@'1(24> 1(&' K(&2: 156$# &2 (&2:4&5 0:#3 (& 3#=45# j@'1(24> 1(&' 4K 3#=45456 1(&' 50';#2: =&2 #1%) j@'1(24> 1(&'

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167 "#$%&' ()*+,) -./0* 167

112 #30*H 59 >.364/53 M 8.A+5.4/3* ?;BB) *)4: :#%(4&5 %&5(145: 15 1$7)1;#(4%1$ %2&:: 453#> $4:(456 &= ()# 2&0(45#: %1$$#3 ;< #1%) *+,-./72&621'C :0;2&0(45# 153 =05%(4&5A /&0(45#: 5&( 72#:#5( 45 ()4: $4:( 3& 5&( '18# %1$$: (& 15< &()#27&2(4&5 &= ()# *+,-./ 71%816#A '5.4/3* P/)4 59 85.+6* ?50* (3/4) 6;BB*0 AE 47/) '5.4/3* N?"#Z& e.**.`* ^bU\W. NIIVN8& \YYdV,Y ]+,Y\*T g\UVd+ ,."\*T V_Y\*T

Vc./_\b b+\_*./ b+TVc. b+*+_* NII8#I& \YYd\W. \YYdV,Y ]\*\_ ]+,Y\*T ]/..^,+*

g\UVd+ ,."\*T V_Y\*T Vc./_\bb+\_*./ b+TVc. b+*+_* b/*W.hc./W+V,

NP?Y&OR .,./ek ]+,\_ ]/..^,+* e.**.`* e.*`kj

X\*VT Xkd/+Y +,+*+\_ T.UX\,+U,^T./\_ /.\Y`kj ^bU\W. c./W+V,

N$NPR8#8 dV^,YW .\,e\,eL .\,e_.L .dV,YL .d^U-L

.UX\/e.L .UXeYb_L .Y+bV_.L .e\^WWL

.e.VTL .X\_L .+Tb/VbL .+Tb*V/L

._gL .T.*\_L .TTLXdL .TbV_.L

.Vbd.,YL .VbY+W*L .b+*V/WL ./`,]_YL

.WV_cL .W*/d,YL .W*/*V/L .*V/WL

.*V/*V/L .^/.kL .`*/\L b+WU]/.b_+U\

N$NPRS& \,\_kjM \,\_kjO \,\_kjQ \*VTkj. .,/ekj.

]+,\_ ]/..^,+* e.*`kj +,+*+\_T.UX\,+U ,.`*\/e b\/\Tkj. b/Vbkj./.\Y`kj W^]]+` */+T*.`* ^bU\W.c./W+V,

N$-P&8 ]\*\_ N$$&NP d..T\, ]+,\_ e.**.`* e.*`kj +,+*+\_

TY+,+* TY/.W* T.UX\,+U ,.`*\/e/eYW*.b WYW*.b WX\-.^b W+eTV+Y^bU\W. c./_.*

N'?Y#Z& \U*+c. d\W.]+_. ]+,\_ ]/..^,+* e.**.`*

+,+*+\_ ,.`*\/e ,^T./\_ b/*\/Ub/*U\/ b/*`TV_ b/*`kj /.\Y`kjW^]]+` */+T*.`* ^bU\W. c./W+V,

Page 169: TINKER - NIH HPC · 2016. 4. 7. · tinker is provided "as is" and without any warranty express or implied. the user assumes all risks of using this software. there is no claim of

168 "#$%&' ()*+,) -./0* 168

N""N?Y ]\*\_ WV/* VN8&>#P& UV,*/V_ e.*-.k */+T*.`* V?(#$" dU^UV] V?(#$"1 dU^UV] V?(#$"D dU^UV] V&&ON$ e/\Y+.,* -+,.*+U TYW\c. TYW*\* b/.WW^/.

/\**_. /\**_.J *.Tb./ *.Tb./J V&"N# d.*\U] e\TT_, V#-VPJ?% U.__\*VT V#"J'8 ]\*\_ VJ$I8 ]\*\_ VJ'$ W^/]\*VT V8&" dT\` V88"&G ]\*\_ TT+Y bj.`*/ ?NP&$IN' Y\*.y\,Yy*+T. ?&''J' ]\*\_ */+T*.`* ?>>"V U]]*dG ?>>"V1 b\WWd b\WWdJ b\WWdL b\WWdM b\WWdN ?>>"> U]]*]G ?>>">1 b\WW] b\WW]J b\WW]L b\WW]M b\WW]N ?>>"# U]]*+G ?Y%"'&& _VU\_`kj ?#'GP$ \,V/T YV* cU/VWW c,V/T ?P#OV&' .,./ek e.*/.] _VU\_T+, T\-.+,* T\-.`kj ?P#OV'-I .,./ek _VU\_/eY /+e+Y`kj

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169 "#$%&' ()*+,) -./0* 169

?P#OV'J" .,./ek _VU\_/V* T\-.`kj ?P#OV"J' UX-*/.. .,./ek e.*/.] _VU\_`kj T\-.+,*

T\-.`kj ?P#OVQRS UX-*/.. .,./ek e.*/.] _VU\_`kj ?P(8"&' U^*V]]W ]\*\_ e.*,^Td e.**.`* WV/* WV/*L

^bU\W. ?JOON$I e.*\/e ^bU\W. ?JOG'&88 U.//V/ e.**V/ ?J$$&?" WV/* ?J$$JPPR UVTb/.WW UV,*\U* ,.+eXdV/ b_\U. W\YY_.W

*V/^W c\T ?J$"N?" \,V/T U.//V/ b*+,Uk ?J$"'JP e.**.`* ^bU\W. ?JJ'I8 ek/\*. /TW.//V/ ?J''&PN"& ]+,\_ +,+*+\_ ,.`*\/e b/Vb./*k /.\Yd_-

*/+T*.`* ?'R8"NP d+ed_VU- dV^,YW ]+._Y ]+,\_ ]/..^,+*

e.**.`* e.*`kj +,+*+\_ -\*VT_\**+U. TV_.U^_. ,.`*\/e b/*`kjWkTT.*/k ^,+*U.__ ^bU\W. c./W+V,

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170 "#$%&' ()*+,) -./0* 170

+TbVW. +,+*+\_ -UX+/\_ -e.VTT\-./.] ,.`*\/e ,^T./\_ b/*`kjW.*+T. *V/W+V,W */+]+` ^bU\W.c./W+V,

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W.*+T. WV/*J */+]+` ^bU\W. IR$NO#? d..T\, ]+,\_ e.*`kj +,+*+\_ TY+,+*

TY/.W* T.UX\,+U ,.`*\/e /eYW*.bWYW*.b WX\-.^b c./_.*

&N$-N$- e/V^bW +T\e. &N$-N$-1 e/V^bW +T\e. &N$-N$-D .\,e\,eJ\ e/V^bW &N$-N$-DN +T\e. &N$-N$-L e/V^bW +T\e. &N$-P& e/V^bW +T\e. &N$-P&1 e/V^bW +T\e. &N$-P&D .\,e_.J\ .\,e_.Jd e/V^bW &N$-P&DN e/V^bW +T\e. &N$-P&DV +T\e. &N$-P&L e/V^bW +T\e. &VJ$I e/V^bW +T\e. &VJ$I1 e/V^bW +T\e. &VJ$ID e/V^bW +T\e. &VJ$IL e/V^bW +T\e. &V(?% .d^U-S\ .d^U-Sd .d^U-SU ]\*\_

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&V(?%TN e/V^bW +T\e. W"+*UX &V(?%TV e/V^bW _+eX*W W"+*UX &V(?%T? .e\^WW &V(?%1 .d^U-G\ .d^U-Gd .d^U-GU ]\*\_ &V(?%1N e/V^bW +T\e. W"+*UX &V(?%1V e/V^bW _+eX*W W"+*UX &V(?%1? .e\^WWG &V(?%D .d^U-J\ .d^U-Jd ]\*\_ &V(?%DN e/V^bW +T\e. W"+*UX &V(?%DV .e\^WWJ &V(?%L .d^U-L\ .d^U-Ld .d^U-LU ]\*\_ &V(?%LN e/V^bW +T\e. W"+*UX &V(?%LV e/V^bW _+eX*W W"+*UX &V(?%L? .e\^WWL &?YN'-& .UX\/e.S\ .UX\/e.Sd .UX\/e.SU .UX\/e.SY .UX\/e.S. &?YN'-&TN e/V^bW +T\e. W"+*UX &?YN'-&TV e/V^bW _+eX*W W"+*UX &?YN'-&T? ./] e/V^bW &?YN'-&TI .bT. ./]U e/V^bW +T\e. W"+*UX &?YN'-&T& .bT. ./]U e/V^bW _+eX*W W"+*UX &?YN'-&1 .UX\/e.G\ .UX\/e.Gd .UX\/e.GU .UX\/e.GY &?YN'-&1N e/V^bW +T\e. W"+*UX &?YN'-&1V e/V^bW _+eX*W W"+*UX &?YN'-&1? ./] e/V^bW

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&?YN'-&1I .bT.G ./]U e/V^bW +T\e. W"+*UX &?YN'-&D .UX\/e.J\ .UX\/e.Jd .UX\/e.JU &?YN'-&DN e/V^bW +T\e. W"+*UX &?YN'-&DV ./] e/V^bW &?YN'-&D? ./]U e/V^bW +T\e. &?YN'-&L .UX\/e.L\ .UX\/e.Ld .UX\/e.LU .UX\/e.LY .UX\/e.L. &?YN'-&LN e/V^bW +T\e. W"+*UX &?YN'-&LV e/V^bW _+eX*W W"+*UX &?YN'-&L? ./] e/V^bW &?YN'-&LI .bT.L ./]U e/V^bW +T\e. W"+*UX &?YN'-&L& .bT.L ./]U e/V^bW _+eX*W W"+*UX &?Y-IGP e/V^bW +T\e. W"+*UX &?Y-IGP1 e/V^bW +T\e. W"+*UX &?Y-IGPD e/V^bW +T\e. W"+*UX &?Y-IGPL e/V^bW +T\e. W"+*UX &I#GJP& e/V^bW +T\e. W"+*UX &I#GJP&1 e/V^bW +T\e. W"+*UX &I#GJP&D e/V^bW +T\e. W"+*UX &I#GJP&L e/V^bW +T\e. W"+*UX &-N(88 .e\^WWS\ .e\^WWSd &-N(88TN e/V^bW W"+*UX &-N(88TV ./] e/V^bW &-N(881 .e\^WWG\ .e\^WWGd &-N(881N e/V^bW W"+*UX &-N(881V ./] e/V^bW

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173 "#$%&' ()*+,) -./0* 173

&-N(88D .e\^WWJ\ .e\^WWJd &-N(88DN e/V^bW W"+*UX &-N(88DV e/V^bW &-N(88L .e\^WWL\ .e\^WWLd &-N(88LN e/V^bW W"+*UX &-N(88LV ./] e/V^bW &-V8NTN e/V^bW W"+*UX &-V8NTV ./] e/V^bW &-V8N1N e/V^bW W"+*UX &-V8N1V ./] e/V^bW &-V8NDN W"+*UX &-V8NDV ./] &-V8NLN e/V^bW W"+*UX &-V8NLV ./] e/V^bW &-&JO e/V^bW +T\e. &-&JO1 e/V^bW +T\e. &-&JOD e/V^bW +T\e. &-&JOL e/V^bW +T\e. &YNP .X\_S\ .X\_Sd &YNPTN e/V^bW +T\e. W"+*UX &YNPTV e/V^bW _+eX*W W"+*UX &YNP1 .X\_G\ .X\_Gd &YNP1N e/V^bW +T\e. W"+*UX &YNP1V e/V^bW _+eX*W W"+*UX

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&YNPD e/V^bW +T\e. W"+*UX &YNPL .X\_L\ .X\_Ld &YNPLN e/V^bW +T\e. W"+*UX &YNPLV e/V^bW _+eX*W W"+*UX &#-&$ e.*+T. bV"./ W.*+T. &#-&$'-I Y+\eh X.WW/eY &#-&$'J" Y+\eh X.WW/V* &#-&$'J" Y+\eh X.WW/V* &#-&$"J' Y+\eh X.WW/V* &#-&$QRS Y+\eh X.WW+\, &#OG'JG e/V^bW +T\e. &#OG'JG1 e/V^bW +T\e. &#OG'JGD e/V^bW +T\e. &#OG'JGL e/V^bW +T\e. &#OG"J' e/V^bW +T\e. &#OG"J'1 e/V^bW +T\e. &#OG"J'D e/V^bW +T\e. &#OG"J'L e/V^bW +T\e. &Pe ._gS\ ._gSd ._gSU ._gSY &PeTN e/V^bW +T\e. W"+*UX &PeTV e/V^bW _+eX*W W"+*UX &PeT? .e\^WW &PeTI e/V^bW &Pe1 ._gG\ ._gGd ._gGU ._gGY &Pe1N e/V^bW +T\e. W"+*UX

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&Pe1V e/V^bW _+eX*W W"+*UX &Pe1? .e\^WWG &Pe1I e/V^bW &PeD ._gJ\ ._gJd &PeDN e/V^bW +T\e. W"+*UX &PeDV .e\^WWJ &PeD? e/V^bW &PeL ._gL\ ._gLd ._gLU ._gLY &PeLN e/V^bW +T\e. W"+*UX &PeLV e/V^bW _+eX*W W"+*UX &PeL? .e\^WWL &PeLI e/V^bW &OV&I d,Y.// UX+/./ UX-W+j. UVV/YW YTY^Tb

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&O&"NP ]\*\_ &O&"NP1 ]\*\_ &O&"NPL .T.*\_ &OOLYV .TTLXdS\ .TTLXdSd &OOLYVTN e/V^bW +T\e. W"+*UX &OOLYVTV e/V^bW _+eX*W W"+*UX &OOLYV1 .TTLXdG\ .TTLXdGd &OOLYV1N e/V^bW +T\e. W"+*UX &OOLYV1V e/V^bW _+eX*W W"+*UX

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&OOLYVD e/V^bW +T\e. W"+*UX &OOLYVL .TTLXdL\ .TTLXdLd &OOLYVLN e/V^bW +T\e. W"+*UX &OOLYVLV e/V^bW _+eX*W W"+*UX &OGJP& .TbV_.S\ .TbV_.Sd &OGJP&TN UX-bV_. e/V^bW +T\e. +,Y^U. /V*bV_.

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&JGV&$ID .Vbd.,YJ\ e/V^bW &JGV&$IDN +T\e. &JGV&$IL e/V^bW +T\e. &JGI#8" e/V^bW +T\e. &JGI#8"1 e/V^bW +T\e. &JGI#8"D e/V^bW +T\e. &JGI#8"L e/V^bW +T\e. &G#"J'8 e/V^bW +T\e. &G#"J'81 e/V^bW +T\e. &G#"J'8D .b+*V/WJ\ e/V^bW &G#"J'8DN +T\e. &G#"J'8L e/V^bW +T\e. &GO& dWb_+,. ]]*]/V,* &GO&1 dWb_+,.G ]]*d\U- ]]*]/V,* &GO&L dWb_+,. ]]*]/V,* &G(?P? \,V/T &'&NP ./]U +T\e. W"+*UX &'&NP1 ./]U +T\e. W"+*UX *V/h^. *V/h^.G &'&NPL ./]U +T\e. W"+*UX &'&?#G1 *V/h^. &'> ./]UV/. &'>? ./]UV/. &'>#% YGYJ /]+,Y.` &'>#$Z ./] ]\*\_ &'Q$>PI UX-bV_. ./]+- +g-b*W /V*bV_. W"+*UX

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&'Q$>PIL UX-bV_. ./]+- +g-b*W /V*bV_. W"+*UX &8JPZ dV/, .edW\S\ .edW\Sd W^/]\U. &8JPZ1 dV/, dV/,G .edW\G\ .edW\Gd W^/]\U. &8JPZD .edW\J\ .edW\Jd &8JPZL dV/, .edW\L\ .edW\Ld W^/]\U. &8"'V$I e/V^bW +T\e. &8"'V$I1 e/V^bW +T\e. &8"'V$ID e/V^bW +T\e. &8"'V$IL e/V^bW +T\e. &8"'"J' e/V^bW +T\e. &8"'"J'1 e/V^bW +T\e. &8"'"J'D e/V^bW +T\e. &8"'"J'L e/V^bW +T\e. &"J'8 .*V/WS\ .*V/WSd &"J'8TN e/V^bW +T\e. &"J'8TV e/V^bW &"J'81 .*V/WG\ .*V/WGd &"J'81N e/V^bW +T\e. &"J'81V e/V^bW &"J'8D .*V/WJ\ .*V/WJd &"J'8DN e/V^bW +T\e. &"J'8DV e/V^bW &"J'8L .*V/WL\ .*V/WLd &"J'8LN e/V^bW +T\e.

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179 "#$%&' ()*+,) -./0* 179

&"J'8LV e/V^bW &"J'"J' dU^+,* e/V^bW +T\e. &"J'"J'1 dU^+,*G e/V^bW +T\e. &"J'"J'D dU^+,*J e/V^bW +T\e. &"J'"J'L dU^+,* e/V^bW +T\e. &('&R e/V^bW +T\e. &('&R1 e/V^bW +T\e. &('&RD e/V^bW +T\e. &('&RL e/V^bW +T\e. &<NPI?J> ./]U &QGPJ'& +,+*.// T+Y.// W+eTV+Y *V*.// >>"VN?% U]]*d >>">'J$" U]]*] >>"8&"(G U]]*+ >#&PI e.*b/T b/T-.k >#$NP W-*-+__ >'N?I#8" Y+W*J */+T*.`* >'&&($#" ]\*\_ -IN Y+]].h ]+,\_ ]/..^,+* eY\W*\* e.**.`*

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181 "#$%&' ()*+,) -./0* 181

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183 "#$%&' ()*+,) -./0* 183

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184 "#$%&' ()*+,) -./0* 184

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185 "#$%&' ()*+,) -./0* 185

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186 "#$%&' ()*+,) -./0* 186

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187 "#$%&' ()*+,) -./0* 187

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188 "#$%&' ()*+,) -./0* 188

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189 "#$%&' ()*+,) -./0* 189

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190 "#$%&' ()*+,) -./0* 190

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192 "#$%&' ()*+,) -./0* 192

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195 "#$%&' ()*+,) -./0* 195

SZNP(& T\-.`kj */+T*.`*

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196 "#$%&' ()*+,) -./0* 196

1D2 "*)4 ?;)*) M &H;C@B*) *)4: :#%(4&5 %&5(145: ;24#= 3#:%247(4&5: &= ()# :1'7$# %1$%0$1(4&5: =&053 45 ()# .`\Tb_.:0;342#%(&2< &= ()# *+,-./ 34:(24;0(4&5A *)#:# #>1'7$#: #>#2%4:# :#B#21$ &= ()# %022#5( *+,-./72&621': 153 12# 45(#53#3 (& 72&B43# 1 =$1B&2 &= ()# %171;4$4(4#: &= ()# 71%816#A N$#J$ &H;C@B* U&'70(#: 15 #:(4'1(4&5 &= ()# =2## #5#26< &= )<321(4&5 &= U$@ 154&5 B:A d2@ 154&5 B41 1 J 74%&:#%&53:4'0$1(4&5 &5 1 ZZ)<;243[[ 154&5 45 1 ;&> &= ?1(#2 =&$$&?#3 ;< 1 =2## #5#26< 7#2(02;1(4&5 %1$%0$1(4&5 N'-J$ &H;C@B* b#2=&2': 15 454(41$ #5#26< '454'4K1(4&5 &5 1 7#24&34% ;&> %&5(145456 GNS 126&5 1(&': =&$$&?#3 ;< O74%&:#%&53: &= 1 '&$#%0$12 3<51'4%: 0:456 1 '&34=4#3 d##'15 45(#621(4&5 1$6&24()' 153 1d#2:#3:#5 ()#2'&:(1( ?P(8"&' &H;C@B* b#2=&2': 1 :#( &= GS e10::415 3#5:4(< 155#1$456 FeY\H (241$: &5 1 %$0:(#2 &= GL 126&5 1(&': 45 151((#'7( (& $&%1(# ()# 6$&;1$ '454'0' #5#26< :(20%(02# ?'NOV#$ &H;C@B* e#5#21(#: 1 *+,-./ =4$# =2&' 1 bYd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b2&30%#: %&&23451(#: =2&' ()# '#(@#58#7)1$45 1'45& 1%43 :#I0#5%# 153 7)4a7:4 156$#:C =&$$&?#3 ;<(205%1(#3 ,#?(&5 #5#26< '454'4K1(4&5 153 3#(#2'451(4&5 &= ()# $&?#:( =2#I0#5%< 5&2'1$ '&3# >J'ONO#I& &H;C@B* U&5B#2(: (& 1 054( %#$$ =2&' =21%(4&51$ %&&23451(#:C =&$$&?#3 ;< =0$$ %2<:(1$ #5#26< '454'4K1(4&5 1533#(#2'451(4&5 &= &7(4'1$ %12;&5<$ &><6#5 #5#26< 7121'#(#2: =2&' 1 =4( (& $1((4%# #5#26< 153:(20%(02#

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197 "#$%&' ()*+,) -./0* 197

Y&P#Q &H;C@B* b#2=&2': 1 24643@;&3< &7(4'4K1(4&5 &= ()# 71%8456 &= (?& 43#1$4K#3 7&$<1$1545# )#$4%#: 0:456 &5$< B153#2 "11$: 45(#21%(4&5: 8NP" &H;C@B* U&5B#2(: 1 :&340' %)$&243# 1::<'#(24% 054( (& ()# %&22#:7&53456 054( %#$$C ()#5 205: 1 %2<:(1$'454'4K1(4&5 :(12(456 =2&' ()# 454(41$ 34==21%(4&5 :(20%(02# 0:456 .?1$3 :0''1(4&5 (& '&3#$ ()#$&56@2156# #$#%(2&:(1(4% 45(#21%(4&5:A

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198 "#$%&' ()*+,) -./0* 198

1L2 V*367C;+m '*).B4) *)# (1;$#: 45 ()4: :#%(4&5 72&B43# Ub^ ;#5%)'128: =&2 ;1:4% *+,-./ #5#26< 153 3#24B1(4B##B1$01(4&5:C B4;21(4&51$ 151$<:4: 153 '&$#%0$12 3<51'4%:A \$$ (4'#: 12# 45 :#%&53: 153 ?#2#'#1:02#3 ?4() *+,-./ #>#%0(1;$#: 34'#5:4&5#3 (& maxatm &= GSSSS 153 C;H7*)) &= GSSSSSS 45()# :&02%# =4$# sizes.iA \$$ %1$%0$1(4&5: ?#2# 205 (?4%# 45 21743 :0%%#::4&5 &5 1 I04#( '1%)45#A *)#(4'#: 2#7&2(#3 =&2 #1%) ;#5%)'128 12# ()# 2#:0$(: =2&' ()# :#%&53 205A += <&0 )1B# ;04$( *+,-./ &515 1$(#251(4B# '1%)45# (<7# 153 12# 1;$# (& 205 ()# ;#5%)'128: &5 ()# 1334(4&51$ '1%)45# (<7#C7$#1:# :#53 ()# 2#:0$(: =&2 45%$0:4&5 45 1 =0(02# $4:(456A

V&$?YON'% n1f ?;BC50.B/3 &3*+XE &^;B.;4/53 *)# :<:(#' 4: 15 4:&$1(#3 '&$#%0$# &= ()# GMQ@2#:430# 72&(#45 %1$'&30$45 ?4() JJOM 1(&': 0:456 ()#\';#2 ==RM =&2%# =4#$3A \$$ 45(#21%(4&5: 12# %&'70(#3 ?4() 5& 0:# &= %0(&==:A *4'#: $4:(#3 12# =&2%1$%0$1(4&5 :#(07 =&$$&?#3 ;< 1 :456$# #5#26<C #5#26<a62134#5( 153 X#::415 #B1$01(4&5A ON?Y#$&`J8`?JOG#P&' "RG& OY\ 8&"(G &$&'-R -'NI Y&88 \()$&5 `b JMSSf F/X QASC +5(#$H JSSS SAGL SAJQ SAOS JARO \()$&5 `b JMSSf F/X QASC be+H JSSS SAGO SALG SAPS LAOS \()$&5 `b JMSSf F/X QASC 6PP LAJH JSSS SAGP SAJQ SAOO LAOP \()$&5 *)053#2;423 F/X QASC +5(#$H GMSS SAJJ SAMG SAQO NAGN \()$&5 *)053#2;423 F/X QASC be+H GMSS SAJG SAMM GASS NARJ \()$&5 *)053#2;423 F/X QASC 6PP LAJH GMSS SAGR SAMS SARM NAQG \()$&5 U$1::4% F/X QASC +5(#$H RNS SALS SAOM GAMJ PASP \()$&5 U$1::4% F/X QASC be+H RNS SALS SAOR GAON PARO \()$&5 U$1::4% F/X QASC 6PP LAJH RNS SALG SAOL GANP PARM U&'71I .B& ,OGS% bM F/X QASC +5(#$H JSSS SAGQ SAMN SAQP LASQ U&'71I .B& ,OGS% bM F/X QASC be+H JSSS SAJJ SAMM GASO MAJP U&'71I .B& ,OGS% bM F/X QASC \;:&=(H JSSS SAGP SANJ GASO LARN U&'71I .B& ,OGS% bM F/X QASC 6PP LAJH JSSS SAGR SAMG GASP MAMG U&'71I .B& ,OGS% bM F"45`bC Uc] OAOH JSSS SAGO SALQ SARQ LANM U&'71I .B& ,OGS% bM F"45`bC 6PP LAJH JSSS SAGO SAMS GASQ MAMN \77$# b&?#2 T1% eM FVW` GSAJC \;:&=(H PLL SAMG JARO NAGJ GPAQL \77$# b&?#2 T1% eM FVW` GSAJC 6PP LALH PLL SALP GARQ LAPR GMAMQ U&'71I \$7)1W#2B#2 YWGS F*20OM NASH MOO SALN GALL GARL QAMS We+ +5346&++ /GS- F+24> OANC T+bWH GRN GAGP LAMR OALN JLASL

V&$?YON'% nDf ?+;CA/3 ?+E)4;B &3*+XE &^;B.;4/53 *)# :<:(#' 4: 1 054( %#$$ &= ()# MO@2#:430# 72&(#45 %21';45 %&5(145456 J 7&$<7#7(43# %)145:C J #()15&$153 GPQ ?1(#2 '&$#%0$#: =&2 1 (&(1$ &= GLOS 1(&': 0:456 ()# Vb_W@^\ =&2%# =4#$3A b#24&34% ;&053124#:12# 0:#3 ?4() 712(4%$# '#:) .?1$3 =&2 #$#%(2&:(1(4%: 153 1 RAS m %0(&== =&2 B3" 45(#21%(4&5:A *4'#:$4:(#3 12# =&2 %1$%0$1(4&5 :#(07 =&$$&?#3 ;< 1 :456$# #5#26<C #5#26<a 62134#5( 153 X#::415 #B1$01(4&5A ON?Y#$&`J8`?JOG#P&' "RG& OY\ 8&"(G &$&'-R -'NI Y&88 \()$&5 `b JMSSf F/X QASC +5(#$H JSSS SAGJ SAGJ SAJG SAOO \()$&5 `b JMSSf F/X QASC be+H JSSS SAGL SAGM SAJM SAOL

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199 "#$%&' ()*+,) -./0* 199

\()$&5 `b JMSSf F/X QASC 6PP LAJH JSSS SAGM SAGL SAJQ SAQG \()$&5 *)053#2;423 F/X QASC +5(#$H GMSS SAGR SAGP SALS SARG \()$&5 *)053#2;423 F/X QASC be+H GMSS SAGQ SAGQ SALJ SARG \()$&5 *)053#2;423 F/X QASC 6PP LAJH GMSS SAGP SAGP SALQ GAGG \()$&5 U$1::4% F/X QASC +5(#$H RNS SAJO SAJN SAMP GAMO \()$&5 U$1::4% F/X QASC be+H RNS SAJR SAJP SANS GAMJ \()$&5 U$1::4% F/X QASC 6PP LAJH RNS SAJP SAJP SANO GAPS U&'71I .B& ,OGS% bM F/X QASC +5(#$H JSSS SAGN SAGM SAJP SAOM U&'71I .B& ,OGS% bM F/X QASC be+H JSSS SAJJ SAGR SALL SAQQ U&'71I .B& ,OGS% bM F/X QASC \;:&=(H JSSS SAGM SAJJ SALR SAQM U&'71I .B& ,OGS% bM F/X QASC 6PP LAJH JSSS SAGN SAJS SAMN GAGL U&'71I .B& ,OGS% bM F"45`bC Uc] OAOH JSSS SAGM SAGP SALL SAQL U&'71I .B& ,OGS% bM F"45`bC 6PP LAJH JSSS SAGJ SAJJ SANJ GAGO \77$# b&?#2 T1% eM FVW` GSAJC \;:&=(H PLL SALJ SANQ GASR LAGG \77$# b&?#2 T1% eM FVW` GSAJC 6PP LALH PLL SALG SAMJ SAPR JALP U&'71I \$7)1W#2B#2 YWGS F*20OM NASH MOO SAJR SALQ SAOM GARN We+ +5346&++ /GS- F+24> OANC T+bWH GRN SARJ SAPM GAMG LAQR

V&$?YON'% nLf G*@4/0* $5+C;B O50* ?;B6.B;4/53 *)# :<:(#' 4: 1 '454'0' #5#26< %&5=&2'1(4&5 &= 1 JS@2#:430# 7#7(43# %&5(145456 &5# &= #1%) &= ()#:(153123 1'45& 1%43: =&2 1 (&(1$ &= LJQ 1(&': 0:456 ()# Vb_W@\\ =&2%# =4#$3 ?4()&0( %0(&==:A *)# (4'#2#7&2(#3 4: =&2 %&'70(1(4&5 &= ()# X#::415 153 %1$%0$1(4&5 &= ()# 5&2'1$ '&3#: &= ()# X#::415 '1(24>153 ()# B4;21(4&5 =2#I0#5%4#: 2#I042456 (?& :#7121(# '1(24> 3416&51$4K1(4&5 :(#7:A ON?Y#$&`J8`?JOG#P&' "RG& OY\ $J'ONP OJI&8 \()$&5 `b JMSSf F/X QASC +5(#$H JSSS JJ \()$&5 `b JMSSf F/X QASC be+H JSSS JO \()$&5 `b JMSSf F/X QASC 6PP LAJH JSSS JM \()$&5 *)053#2;423 F/X QASC +5(#$H GMSS LG \()$&5 *)053#2;423 F/X QASC be+H GMSS LM \()$&5 *)053#2;423 F/X QASC 6PP LAJH GMSS LL \()$&5 U$1::4% F/X QASC +5(#$H RNS MO \()$&5 U$1::4% F/X QASC be+H RNS NG \()$&5 U$1::4% F/X QASC 6PP LAJH RNS MQ U&'71I .B& ,OGS% bM F/X QASC +5(#$H JSSS GR U&'71I .B& ,OGS% bM F/X QASC be+H JSSS GR U&'71I .B& ,OGS% bM F/X QASC \;:&=(H JSSS JS U&'71I .B& ,OGS% bM F/X QASC 6PP LAJH JSSS GR U&'71I .B& ,OGS% bM F"45`bC Uc] OAOH JSSS GR U&'71I .B& ,OGS% bM F"45`bC 6PP LAJH JSSS JS \77$# b&?#2 T1% eM FVW` GSAJC \;:&=(H PLL OP \77$# b&?#2 T1% eM FVW` GSAJC 6PP LALH PLL OJ U&'71I \$7)1W#2B#2 YWGS F*20OM NASH MOO LR We+ +5346&++ /GS- F+24> OANC T+bWH GRN GMM

V&$?YON'% nWf "#GLG<;4*+ V5H O5B*6.B;+ IE3;C/6)

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200 "#$%&' ()*+,) -./0* 200

*)# :<:(#' %&5:4:(: &= JGO 24643 *+bLb ?1(#2 '&$#%0$#: 45 1 GQAOML m 7#24&34% ;&>C RAS m :)4=(#3#5#26< :?4(%) %0(&==: =&2 5&5;&53#3 45(#21%(4&5:A *)# (4'# 2#7&2(#3 4: =&2 GSSS 3<51'4%: :(#7: &=GAS =: #1%) 0:456 ()# '&34=4#3 d##'15 45(#621(&2 153 /1(($# %&5:(2145(: &5 1$$ ;&53 $#56():A ON?Y#$&`J8`?JOG#P&' "RG& OY\ IR$NO#?8 \()$&5 `b JMSSf F/X QASC +5(#$H JSSS LP \()$&5 `b JMSSf F/X QASC be+H JSSS LM \()$&5 `b JMSSf F/X QASC 6PP LAJH JSSS MN \()$&5 *)053#2;423 F/X QASC +5(#$H GMSS NJ \()$&5 *)053#2;423 F/X QASC be+H GMSS MP \()$&5 *)053#2;423 F/X QASC 6PP LAJH GMSS OL \()$&5 U$1::4% F/X QASC +5(#$H RNS PP \()$&5 U$1::4% F/X QASC be+H RNS PG \()$&5 U$1::4% F/X QASC 6PP LAJH RNS RO U&'71I .B& ,OGS% bM F/X QASC +5(#$H JSSS NL U&'71I .B& ,OGS% bM F/X QASC be+H JSSS NM U&'71I .B& ,OGS% bM F/X QASC \;:&=(H JSSS NN U&'71I .B& ,OGS% bM F/X QASC 6PP LAJH JSSS RG U&'71I .B& ,OGS% bM F"45`bC Uc] OAOH JSSS OL U&'71I .B& ,OGS% bM F"45`bC 6PP LAJH JSSS RM \77$# b&?#2 T1% eM FVW` GSAJC \;:&=(H PLL JSR \77$# b&?#2 T1% eM FVW` GSAJC 6PP LALH PLL GPS U&'71I \$7)1W#2B#2 YWGS F*20OM NASH MOO GSO We+ +5346&++ /GS- F+24> OANC T+bWH GRN JQS

V&$?YON'% n[f "#$%&'<;4*+ V5H O5B*6.B;+ IE3;C/6) *)# :<:(#' %&5:4:(: &= JGO \TV.d\ =$#>4;$# 7&$124K1;$# 1(&'4% '0$(47&$# ?1(#2 '&$#%0$#: 45 1GQAOML m 7#24&34% ;&> 0:456 2#60$12 .?1$3 :0''1(4&5 =&2 ()# #$#%(2&:(1(4%: 153 1 GJAS m :?4(%)#3%0(&== =&2 B3" 45(#21%(4&5:A *)# (4'# 2#7&2(#3 4: =&2 GSS 3<51'4%: :(#7: &= GAS =: #1%) 0:456 ()#'&34=4#3 d##'15 45(#621(&2 153 SASG Y#;<# 2': %&5B#26#5%# =&2 4530%#3 347&$# '&'#5(:A ON?Y#$&`J8`?JOG#P&' "RG& OY\ IR$NO#?8 \()$&5 `b JMSSf F/X QASC +5(#$H JSSS GSQ \()$&5 `b JMSSf F/X QASC be+H JSSS GSM \()$&5 `b JMSSf F/X QASC 6PP LAJH JSSS GJQ \()$&5 *)053#2;423 F/X QASC +5(#$H GMSS GON \()$&5 *)053#2;423 F/X QASC be+H GMSS GNQ \()$&5 *)053#2;423 F/X QASC 6PP LAJH GMSS GQL \()$&5 U$1::4% F/X QASC +5(#$H RNS JQJ \()$&5 U$1::4% F/X QASC be+H RNS JOG \()$&5 U$1::4% F/X QASC 6PP LAJH RNS LSP U&'71I .B& ,OGS% bM F/X QASC +5(#$H JSSS GNO U&'71I .B& ,OGS% bM F/X QASC be+H JSSS GRG U&'71I .B& ,OGS% bM F/X QASC \;:&=(H JSSS JJO U&'71I .B& ,OGS% bM F/X QASC 6PP LAJH JSSS JML U&'71I .B& ,OGS% bM F"45`bC Uc] OAOH JSSS GPO U&'71I .B& ,OGS% bM F"45`bC 6PP LAJH JSSS JOL \77$# b&?#2 T1% eM FVW` GSAJC \;:&=(H PLL OQS

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201 "#$%&' ()*+,) -./0* 201

\77$# b&?#2 T1% eM FVW` GSAJC 6PP LALH PLL MPR U&'71I \$7)1W#2B#2 YWGS F*20OM NASH MOO LNQ We+ +5346&++ /GS- F+24> OANC T+bWH GRN QOQ

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202 "#$%&' ()*+,) -./0* 202

1W2 ?5BB;A5+;45+) M N6m35:B*0XC*34) *)# *+,-./ 71%816# )1: 3#B#$&7#3 &B#2 1 7#24&3 &= '15< <#12:C B#2< :$&?$< 302456 ()# $1(#@GRQS:C153 '&2# 21743$< :45%# ()# '43@GRRS: 45 g1< b&53#2[: 2#:#12%) 62&07 1( ()# "1:)456(&5 ^54B#2:4(<W%)&&$ &= T#34%45# 45 W145( _&04:A T15< 7#&7$# )1B# 7$1<#3 :4654=4%15( 2&$#: 45 ()# 3#B#$&7'#5( &=()# 71%816# 45(& 4(: %022#5( =&2'A *)# '1D&2 %&5(24;0(&2: 12# $4:(#3 ;#$&?E 84*: '.A*3)4*/3 %&&23451(# 45(#2%&5B#2:4&5:l &246451$ &7(4'4K1(4&5 '#()&3:

153 (&2:4&51$ 156$# '15470$1(4&5 ?+;/X %.30+54 '&$#%0$12 :02=1%# 12#1 v B&$0'# 153 ()#42 3#24B1(4B#: 87;:3 Y.)453 &246451$ \Td./aVb_W 4'7$#'#5(1(4&5l =2## #5#26<

%1$%0$1(4&5:l (4'# %&22#$1(4&5 =05%(4&5: O/m* I.0*m 454(41$ '0$(47&$# '&3#$: =&2 7#7(43#: 153 72&(#45: R53X FO/m*F %53X '0$(47&$# #$#%(2&:(1(4%:l 347&$# 7&$124K1(4&5l 2#1%(4&5 =4#$3

(2#1('#5(l *+,-./ ?1(#2 '&3#$ '**6* Y;+4 7&(#5(41$ :'&&()456 '#()&3&$&6<l W%)#2161[: Y.TC

W(210;[: eY\ 153 #>(#5:4&5: O/m* Y50)053 #>(#5:4&5 &= ()# *+,-./ 34:(6#&' 72&621' 153 4(:

177$4%1(4&5 (& ,T/ ,V. :(20%(02# 3#(#2'451(4&5 '57/4 G;@@. 7&(#5(41$ :'&&()456 '#()&3&$&6< 153 bWW 1$6&24()':l

24643 ;&3< &7(4'4K1(4&5l edaW\ :&$B1(4&5 3#24B1(4B#: </j3;30 O55/j TTL 342#%(4&51$ )<32&6#5 ;&53456 (#2'l %2<:(1$ $1((4%#

'454'4K1(4&5 %&3# -*+;B0 P5*99B*+ :(&%)1:(4%a_156#B45 3<51'4%: 4'7$#'#5(1(4&5 O;+/3; Z5+5A/*^; 50%$#4% 1%43 ;04$3456 '&30$# 153 7121'#(#2 (215:$1(4&5 $/3; 85m5B5^; G*4*+ V;X5))/ \TV.d\ =&2%# =4#$3 7121'#(#2: =&2 1$815#: 153 341(&'4%: G*3XE. '*3 .?1$3 :0''1(4&5 =&2 7&$124K1;$# 1(&'4% '0$(47&$#:l

\TV.d\ =&2%# =4#$3 =&2 ?1(#2C &26154%: 153 7#7(43#: N30*+) ?;+B))53 &246451$ $46153 =4#$3 7&(#5(41$ #5#26< (#2' =&2 (215:4(4&5 '#(1$: N30+*E %.4*@5^ 45(#621(&2 =&2 24643@;&3< 3<51'4%: (21D#%(&24#: "5C I;+0*3 b12(4%$# T#:) .?1$3 FbT.H %&3#C 153 3#B#$&7'#5( &= bT.

=&2 ()# \TV.d\ =&2%# =4#$3

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203 "#$%&' ()*+,) -./0* 203

NB;3 -+5))9/*B0 T&5(# U12$& '454'4K1(4&5l (&7)1( 7&(#5(41$ :'&&()456 O/67;*B 8673/*0*+) ]&2%# ]4#$3 .>7$&2#2 e^+ =&2 *+,-./l 5#46);&2 $4:(: =&2

5&5;&53#3 45(#21%(4&5: ?7.;3j/* <. :&$B1(4&5 =2## #5#26< %1$%0$1(4&5:l \TV.d\ 50%$#4% 1%43 =&2%#

=4#$3l 7121'#(#24K1(4&5 (&&$: =&2 *+,-./

e.)4/3 Q/;3X 1560$12 &B#2$17 153 B1$#5%# ;&53 7&(#5(41$ '&3#$: =&2(215:4(4&5 '#(1$:

I;^/0 -57;+; V7#5Tb 7121$$#$4K1(4&5 &= #5#26< (#2': 45%$03456 bT.C153 7121$$#$ 5#46);&2 $4:(:

+( 4: %24(4%1$$< 4'7&2(15( ()1( *+,-./[: 34:(24;0(#3 =&2%# =4#$3 7121'#(#2 :#(: #>1%($< 2#72&30%# ()#45(#5( &= ()# &246451$ =&2%# =4#$3 10()&2:A "# ?&0$3 $48# (& ()158 e.B/;3 "/+;05`'/^*) FVb_W@\\HCNB*H O;6%*+*BB FUX\/TTJPHC </B9+*0 ^;3 -.3)4*+*3 Fe/VTVWHC 153 N0+/;3 '5/4A*+X 153?;+B5) 8/CC*+B/3X F\Td./H =&2 ()#42 )#$7 45 (#:(456 *+,-./[: 2#:0$(: 16145:( ()&:# 64B#5 ;< ()#10()#5(4% 72&621': 153 7121'#(#2 :#(:A P5. NBB/3X*+ 72&B43#3 0731(#3 7121'#(#2: =&2 TTJ 153TTL &5 :#B#21$ &%%1:4&5:A X4: B#2< :0%%#::=0$ '#()&3: 72&B43#3 ()# &246451$ 45:7421(4&5 =&2 ()#3#B#$&7'#5( &= *+,-./A W(4$$ &()#2 ?&28#2: )1B# 3#B&(#3 %&5:43#21;$# (4'# 45 3#B#$&7456 %&3# ()1( ?4$$ )&7#=0$$< ;#45%&27&21(#3 45(& =0(02# *+,-./ B#2:4&5:l =&2 #>1'7$#C e/C %+*)) F^]] 4'7$#'#5(1(4&5H 153O/67;*B 87**4) F50'#2&0: %&3# &7(4'4K1(4&5:C ()#2'&3<51'4% 45(#621(4&5HA ]451$$<C ?# ?4:) (&()158 ()# '15< 0:#2: &= ()# *+,-./ 71%816# =&2 ()#42 :066#:(4&5: 153 %&''#5(:C 7214:# 153%24(4%4:'C ?)4%) )1B# 2#:0$(#3 45 1 B124#(< &= 4'72&B#'#5(:A

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204 "#$%&' ()*+,) -./0* 204

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e043#A *)4: $4:( 4:)#1B4$< :8#?#3 (&?123 ;4&'&$#%0$#: 45 6#5#21$ 153 72&(#45: 45 712(4%0$12A *)4: ;41: 2#=$#%(: &0262&07[: '1D&2 45(#2#:(:l )&?#B#2 15 1((#'7( )1: ;##5 '13# (& 45%$03# '#()&3: ?)4%) :)&0$3 ;#6#5#21$$< 177$4%1;$#A GN'"#NP P#8" J> OJP&?(PN' O&?YN$#?8 8J>"<N'& GN?%N-&8 \Td./ b#(#2 -&$$'15C ^54B#2:4(< &= U1$4=&2541C W15 ]215%4:%& \TTb /&; X1224:&5C *)&'1: g#==#2:&5 ^54B#2:4(<C b)4$13#$7)41 \/eVW \53< T%U1''&5C ^54B#2:4(< &= U1$4=&2541C W15 Y4#6& dVWW "4$$41' g&26#5:#5C k1$# ^54B#2:4(< d/^e._ W)&:)&51 "&318C ]2## ^54B#2:4(< &= d20::#$: U]] W)5#4&2 _4=:&5C "#4K'155 +5:(4(0(# UX\/TT T12(45 -127$0:C X12B123 ^54B#2:4(< UX\/TTae.TT d#25123 d2&&8:C ,1(4&51$ +5:(4(0(#: &= X#1$()C d#()#:31 Y._bX+ d1:(415 B15 3# e211=C Y#$=( ^54B#2:4(< &= *#%)5&$&6< Y+WUVc./ T&$#%0$12 W4'0$1(4&5: +5%AC W15 Y4#6& Y_ybV_k "A W'4() v *A ]&2#:(#2C UUbNC Y12#:;02< _1;&21(&2< .U.bb X12&$3 W%)#2161C U&25#$$ ^54B#2:4(< .,U\Y T4%)1#$ _#B4((C W(15=&23 ^54B#2:4(< ]\,*VT "#25#2 d2105C ^54B#2:4(< &= *#>1:C e1$B#:(&5 ].Y./aJ ,&;0)42& e&C -<&(& ^54B#2:4(< e/VT\UW X#2'15 d#2#53:#5C ^54B#2:4(< &= e2&5456#5 e/VTVW "4$=2#3 B15 e05:(#2#5C d+VTVW 153 .*XC j024%) +Tb\U* /&51$3 _#B<C /0(6#2: ^54B#2:4(< T\U/VTVY._ W%)&3456#2C +5%AC g#2:#< U4(<C ,#? g#2:#< TTJaTTLaTTM ,A _&0 \$$456#2C ^54B#2:4(< &= e#&2641 TTU U$4== Y<8:(21C +534151 ^54BA|b0230# ^54BA 1( +5341517&$4: TT]] *&' X1$62#5C T#2%8 /#:#12%) _1;&21(&24#:C /1)?1< TT*- -&5213 X45:#5C +5:(A &= W(20%(021$ d4&$&6<C e2#5&;$# TV+_ /&5 .$;#2C U&25#$$ ^54B#2:4(< TV_\/+W \24#) "12:)1$C ^54B#2:4(< &= W&0()#25 U1$4=&2541 TV_Yk -#4() /#=:&5C V>=&23 ^54B#2:4(< TVWU+*V Y4#('12 b1:%)#8 v \$=&5: e#46#2C ^54B#2:4(}( Y&2('053 ,\TY -$10: W%)0$(#5C ^54B#2:4(< &= +$$45&4:C ^2;151 VVTb\\ \53< T%U1''&5C ^54B#2:4(< &= U1$4=&2541C W15 Y4#6& V/\_ -12#$ j4''#2'15C +,/\C g&0<@#5@g&:1:C ]215%# V/+.,* \5()&5< W(&5#C U1';2436# ^54B#2:4(< bUTVY._ -#B45 e4$;#2(C W#2#51 W&=(?12#C d$&&'456(&5C +534151 b.]] g15 Y4$$#5C ^54B#2:4(< &= b2#(&241C W&0() \=24%1 h g&)15 mIB4:(C ^77:1$1 ^54B#2:4(< W+d]\ ,&)13 e2#:)C +,W./TC U,/WC b124: W+eT\ g15 X#2'15:C ^54B#2:4(< &= ,&2() U12&$451 Wb\W+d\ e#2123 c#26&(#5C ^54B#2:4(~ 3# _4$$# Wb\WTW Y1B43 W7#$$'#<#2 153 ()# -&$$'15 e2&07C ^UW]

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205 "#$%&' ()*+,) -./0* 205

*+,-./ g1< b&53#2C "1:)456(&5 ^54B#2:4(<C W(A _&04: `b_V/aU,W \>#$ d2�56#2C W(15=&23 ^54B#2:4(< k\TTb W(#7)#5 X12B#<C ^54B#2:4(< &= \$1;1'1C d42'456)1' k\Wb ]$&2415 T0#$$#2@b$1()#C .*X j#5(20'C j024%) k.*+ \56#$& c#3154C d4&621=48@_1;&2 L/C d1:#$ NOV&' YA \ b#12$'15C YA \A U1:#C gA "A U1$3?#$$C "A WA /&::C *A .A U)#1()1' +++C WA Y#d&$(C YA]#260:&5C eA W#4;#$ 153 bA -&$$'15C \Td./C 1 b1%816# &= U&'70(#2 b2&621': =&2 \77$<456 T&$#%0$12T#%)154%:C ,&2'1$ T&3# \51$<:4:C T&$#%0$12 Y<51'4%: 153 ]2## .5#26< U1$%0$1(4&5: (& W4'0$1(# ()#W(20%(021$ 153 .5#26#(4% b2&7#2(4#: &= T&$#%0$#:C C)D4A E-0"A C)DD95AC D>C G@MG FGRRNH N'-J8 *A bA W(211(:'1 153 gA \A T%U1''&5C \/eVWC 1 c#%(&24K#3 e#5#21$ T&$#%0$12 Y<51'4%:b2&621'C BA C)D49*A C-+DAC >>C RML@RNG FGRRSH ?YN'OO dA /A d2&&8:C /A .A d20%%&$#24C dA YA V$1=:&5C YA gA W(1(#:C WA W?1'451()15 153 TA -127$0:CUX\/TTE \ b2&621' =&2 T1%2&'&$#%0$12 .5#26<C T454'4K1(4&5C 153 Y<51'4%: U1$%0$1(4&5:C BAC)D49*A C-+DAC EC GQP@JGP FGRQLH &$?NI TA _#B4((C TA X42:);#26C /A W)12&5 153 cA Y166#((C b&(#5(41$ .5#26< ]05%(4&5 153b121'#(#2: =&2 W4'0$1(4&5: =&2 ()# T&$#%0$12 Y<51'4%: &= b2&(#45: 153 ,0%$#4% \%43: 45 W&$0(4&5CC)D4A E-0"A C)DD95AC D>C JGN@JLG FGRRNH >N$"JO *A W%)10'155C "A d2105 153 -A "02(24%)C *)# b2&621' ]\,*VT =&2 .5#26< /#=45#'#5(&= b&$<7#7(43#: 153 b2&(#45: ^:456 1 ,#?(&5@/17):&5 T454'4K#2 45 *&2:4&5 \56$# W71%#CF.)4)I0D+2"C <DC OPR@ORM FGRRSH >&I&'cD XA "18&C WA .53&C -A ,161<1'1 153 ,A e&C ].Y./aJE b2&621' =&2 W(1(4% 153 Y<51'4%U&5=&2'1(4&51$ .5#26< \51$<:4: &= T1%2&@'&$#%0$#: 45 Y4)#321$ \56$# W71%#C C)D4A E-0"A C)DD95ACD>C JLL@JNG FGRRNH -'JON?8 .A _4531)$C dA X#:: 153 YA B15 3#2 W7&#$C e/VT\UW LASE \ b1%816# =&2 T&$#%0$12W4'0$1(4&5 153 *21D#%(&2< \51$<:4:C BA K)IA K)IAC @C LSO@LGP FJSSGH -'JOJ8 "A /A bA W%&((C bA XA X05#5;#26#2 C +A eA *42&54C \A .A T128C WA /A d4$$#(#2C gA ]#55#5C \A .A*&231C *A X0;#2C bA -206#2C "A ]A B15 e05:(#2#5C *)# e/VTVW d4&'&$#%0$12 W4'0$1(4&5 b2&621'b1%816#C BA E-0"A C-+DA GC >?=C LNRO@LOSP FGRRRH #OGN?" YA dA -4(%)#5C ]A X421(1C gA YA "#:(;2&&8C /A _#B<C YA -&=8# 153 TA k12'0:)C U&5:#2B456.5#26< 302456 T&$#%0$12 Y<51'4%: W4'0$1(4&5: &= "1(#2C b2&(#45:C 153 b2&(#45: 45 "1(#2C BA C)D49*AC-+DAC >?C GGOR@GGQS FGRRSH ON?'JOJI&P ]A T1)1'134C ,A eA gA /4%)123:C "A UA e0431C /A _4:81'7C TA _47(&5C UA U10=4#$3C eAU)156C *A X#5324%8:&5 153 "A UA W(4$$C T1%2&T&3#$|\5 +5(#621(#3 W&=(?12# W<:(#' =&2 T&3#$456V26154% 153 d4&&26154% T&$#%0$#: ^:456 T&$#%0$12 T#%)154%:C BA C)D49*A C-+DAC >>C MMS@MOP FGRRSH OOD ,A _A \$$456#2C U&5=&2'1(4&51$ \51$<:4:A GLSA TTJA \ X<32&%12;&5 ]&2%# ]4#$3 ^(4$4K456 cG153 cJ *&2:4&51$ *#2':C BA GDA C-+DA H)6AC DDC QGJP@QGLM FGRPPH OOL ,A _A \$$456#2C kA XA k0) 153 gA@XA _44C T&$#%0$12 T#%)154%:A *)# TTL ]&2%# ]4#$3 =&2X<32&%12;&5:C BA GDA C-+DA H)6AC >>>C QNNG@QNOO FGRQRH

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206 "#$%&' ()*+,) -./0* 206

OOW ,A _A \$$456#2C -A U)#5 153 gA@XA _44C \5 +'72&B#3 ]&2%# ]4#$3 FTTMH =&2 W1(021(#3X<32&%12;&5:C BA C)D49*A C-+DAC >@C OMJ@OOQ FGRROH OO? UA .A Y<8:(21C T&$#%0$12 T#%)154%: =&2 "#18$< +5(#21%(456 \::#';$4#: &= /12# e1: \(&': 153W'1$$ T&$#%0$#:C BA GDA C-+DA H)6AC >>>C OGOQ@OGPM FGRQRH OO>> *A \A X1$62#5C T#2%8 T&$#%0$12 ]&2%# ]4#$3A +A d1:4:C ]&2'C W%&7#C b121'#(#24K1(4&5C 153b#2=&2'15%# &= TT]]RMC BA C)D49*A C-+DAC >@C MRS@NGO FGRROH OJ#P /A .$;#2C \A /&4(;#26C UA W4''#2$456C /A e&$3:(#45C XA _4C eA c#28)4B#2C UA -#1:12C gA j)156 153 \A^$4(:8<C TV+_E \ b2&621' =&2 W4'0$1(4&5: &= T1%2&'&$#%0$#:C C)D4A E-0"A C)DD95AC D>C GNR@GQRFGRRNH OJ8?#"J W## ()# ?#; :4(# 1( )((7Ea615(#2A%)#'4#A054@3&2('053A3#aÄ71:a'&:%4(&A)('$ $NOI _A -1$~C /A W8##$C TA d)15312812C /A d2055#2C \A e02:&<C ,A -21?#(KC gA b)4$$47:C \A W)45&K184C-A c1213121D15 153 -A W%)0$(#5C ,\TYJE e2#1(#2 W%1$1;4$4(< =&2 b121$$#$ T&$#%0$12 Y<51'4%:C BAC)D49*A E-0"AC >A>C JQL@LGJ FGRRRH JJOGNN eA \A X0;#2 153 gA \A T%U1''&5C VVTb\\|V;D#%(@&24#5(#3 T&3#$ =&2 b2&;456\::#';$16#: &= \(&':C BA C)D49*A E-0"AC >A>C JOM@JQJ FGRRRH J'NP -A j4''#2'155C V/\_E \$$ b027&:# T&$#%0$12 T#%)154%: W4'0$1(&2 153 .5#26< T454'4K#2C BAC)D49*A C-+DAC ><C LGS@LGR FGRRGH G?OJI&P W## ()# ?#; :4(# 1( )((7Ea???A:#2#51:&=(A%&' G&>> gA _A TA Y4$$#5C b.]]E \ b2&621' =&2 ()# Y#B#$&7'#5( &= .'7424%1$ ]&2%# ]4#$3:C BA C)D49*AC-+DAC >=C JNP@JOP FGRRJH K W## ()# ?#; :4(# 1( )((7Eaa1IB4:(A;'%A00A:#ah 8#V>N ,A e2#:)C +5(#2@ 153 +5(21'&$#%0$12 +5(#21%(4&5:A +5%#7(4&5 153 /#=45#'#5(: &= ()# W+d]\CT&$#%0$12 T#%)154%: FWTTH b2&%#302#C 1 W#7121;$#C b&$124K1;$# T#()&3&$&6< e2&053#3 &5 (F G.&"&4WU]aTbJ U&'70(1(4&5:A .>1'7$#: &= \77$4%1(4&5: (& T&$#%0$12 /#%&654(4&5 b2&;$#':C BA C-.DA E-0"AECFC DEC GLON@GMGO FGRRPH 8#-ON W## ()# ?#; :4(# 1( )((7Eaa=#'(&A'#3A05%A#30aW+eT\ 8GN8#VN bA Y#22#0'10> 153 eA c#26&(#5C \ ,#? W7#%(2&:%&74% T&$#%0$12 T#%)154%: ]&2%#@]4#$3 @b121'#(#2: ]&2 b2&(#45:C BA C-+DA E-0"AC >?<C QNQO@QOSN FGRRNH "#$%&' W## ()# ?#; :4(# 1( )((7Eaa31:)#2A?0:($A#30a(458#2 RNOOG /A -A@jA *15 153 WA UA X12B#<C k1''7E Y#B#$&7'#5( &= 1 T&$#%0$12 T#%)154%: b2&621'^:456 ()# T&30$12 b2&621''456 T#()&3C BA C)D49*A C-+DAC >EC MNN@MPS FGRRLH R&"# \A c#3154C k.*+E \5 +5(#21%(4B# T&$#%0$12 T#%)154%: b2&621' =&2 W'1$$@T&$#%0$# b2&(#45U&'7$#>#:C BA C)D49*A C-+DAC DC JOR@JQS FGRQQH

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207 "#$%&' ()*+,) -./0* 207

OJP&?(PN' O&?YN$#?8 ^A d028#2( 153 ,A _A \$$456#2C O5B*6.B;+ O*67;3/6)C \'#24%15 U)#'4%1$ W&%4#(<C "1:)456(&5C YAUACGRQJ bA U&';1 153 *A "A X1';$#<C O5B*6.B;+ O50*B/3X 59 #35+X;3/6 [email protected])U D30 &02C "4$#<@cUXC,#? k&28C JSSG -A T1%)431C G+/36/@B*) 59 O5B*6.B;+ O*67;3/6)C -&315:)1ag&)5 "4$#< v W&5:C *&8<&a,#? k&28CGRRR \A -A /177~ 153 UA gA U1:#?4(C O5B*6.B;+ O*67;3/6) ;6+5)) ?7*C/)4+EC ^54B#2:4(< W%4#5%# d&&8:CW10:1$4(&C U\C GRRP -A /1:'0::#5C G54*34/;B &3*+XE >.364/53) /3 ?5395+C;4/53;B N3;BE)/) F_#%(02# ,&(#: 45U)#'4:(2<C c&$A JPHC W72456#2@c#2$16C d#2$45C GRQN ?JOG("&' 8#O(PN"#J$ O&"YJI8 TA bA \$$#5 153 YA gA *4$3#:$#<C [email protected]*+ 8/C.B;4/53 59 P/d./0)C V>=&23 ^54B#2:4(< b2#::C V>=&23CGRQP UA gA U21'#2C &))*34/;B) 59 [email protected];4/53;B ?7*C/)4+Ef "7*5+/*) ;30 O50*B)C g&)5 "4$#< 153 W&5:C,#? k&28C JSSJ TA gA ]4#$3C N G+;64/6;B #34+50.64/53 45 47* 8/C.B;4/53 59 O5B*6.B;+ 8E)4*C)C U1';2436# ^54BAb2#::C U1';2436#C GRRR YA ]2158#$ 153 dA W'4(C (30*+)4;30/3X O5B*6.B;+ 8/C.B;4/53f >+5C NBX5+/47C) 45 N@@B/6;4/53)UD30 &02C \%13#'4% b2#::C W15 Y4#6&C U\C JSSG gA TA X14$#CO5B*6.B;+ IE3;C/6) 8/C.B;4/53f &B*C*34;+E O*4750)C g&)5 "4$#< 153 W&5:C ,#? k&28CGRRJ ]A g#5:#5C #34+50.64/53 45 [email protected];4/53;B ?7*C/)4+EC g&)5 "4$#< 153 W&5:C ,#? k&28C GRRQ \A /A _#1%)CO5B*6.B;+ O50*BB/3Xf G+/36/@B*) ;30 N@@B/6;4/53)U D30 &02C \334:&5 "#:$#< _&56'15C.::#>C .56$153C JSSG YA UA /1717&2(C "7* N+4 59 O5B*6.B;+ IE3;C/6) 8/C.B;4/53U D30 &02C U1';2436# ^54B#2:4(< b2#::CU1';2436#C JSSM *A W%)$4%8CO5B*6.B;+ O50*B/3X ;30 8/C.B;4/53C W72456#2@c#2$16C ,#? k&28C JSSJ OJI&P#$- J> V#JPJ-#?NP ON?'JOJP&?(P&8 VA TA d#%8#2C \A YA T1%-#2#$$C g2AC dA /&0> 153 TA "1(151;#C .3:AC [email protected];4/53;B V/567*C/)4+E ;30V/5@7E)/6)UT12%#$ Y#88#2C ,#? k&28C JSSG

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208 "#$%&' ()*+,) -./0* 208

UA _A d2&&8: +++C TA -127$0: 153 dA TA b#((4((C G+54*/3)f N "7*5+*4/6;B G*+)@*64/^* 59 IE3;C/6)U84+.64.+*U ;30 "7*+C50E3;C/6)C g&)5 "4$#< 153 W&5:C ,#? k&28C GRQQ cA Y166#((C .3AC G+54*/3 8/C.B;4/53) kN0^;36*) /3 G+54*/3 ?7*C/)4+EU Z5B2 ]]lC \%13#'4%b2#::a.$:#B4#2C ,#? k&28C JSSL gA \A T%U1''&5 153 WA X12B#<C IE3;C/6) 59 G+54*/3) ;30 $.6B*/6 N6/0)C U1';2436# ^54B#2:4(<b2#::C U1';2436#C GRQP "A ]A B15 e05:(#2#5C bA -A "#45#2 153 \A gA "4$845:&5C [email protected]*+ 8/C.B;4/53 59 V/5C5B*6.B;+8E)4*C)U Z5B2 1`LC -$0?#2 \%13#'4% b0;$4:)#2:C Y&232#%)(C GRQR@GRRP ?J$e(-N"& -'NI#&$" N$I K(N8#`$&<"J$ JG"#O#SN"#J$ gA ,&%#31$ 153 WA gA "246)(C $.C*+/6;B J@4/C/\;4/53C W72456#2@c#2$16C ,#? k&28C GRRR WA eA ,1:) 153 \A W&=#2C P/3*;+ ;30 $53B/3*;+ G+5X+;CC/3XC T%e21?@X4$$C ,#? k&28C GRRO /A ]$#(%)#2C G+;64/6;B O*4750) 59 J@4/C/\;4/53C g&)5 "4$#< v W&5: _(3AC U)4%)#:(#2C GRQP YA eA _0#5;#26#2C P/3*;+ ;30 $53B/3*;+ G+5X+;CC/3XC J53 .3AC \334:&5@"#:$#<C /#13456C T\CGRQM bA .A e4$$C "A T0221< 153 TA XA "246)(C G+;64/6;B J@4/C/\;4/53C \%13#'4% b2#::C ,#? k&28C GRQG gA ,&%#31$C ^731(456 h01:4@,#?(&5 T1(24%#: ?4() _4'4(#3 W(&216#CK:*-A C)D4AC PPL@PQJ FGRQSH WA gA "1(&?4%)C .A WA T#<#2C /A X16:(2&' 153 /A g&:#7):C \ W(1;$#C /1743$< U&5B#26456 U&5D061(#e2134#5( T#()&3 =&2 .5#26< T454'4K1(4&5C BA C)D49*A C-+DAC DC ONS@OOG FGRQQH "A UA Y1B43&5C V7(4'1$$< U&534(4&5#3 V7(4'4K1(4&5 \$6&24()': ?4()&0( _45# W#12%)#:C K:*-A E2)MAC DCG@LS FGRPNH "'($?N"&I $&<"J$ JG"#O#SN"#J$ gA "A b&53#2 153 ]A TA /4%)123:C \5 .==4%4#5( ,#?(&5@$48# T#()&3 =&2 T&$#%0$12 T#%)154%: .5#26<T454'4K1(4&5 &= _126# T&$#%0$#:C BA C)D49*A C-+DAC HC GSGO@GSJM FGRQPH /A WA Y#';& 153 *A W(#4)106C *205%1(#3@,#?(&5 \$6&24()': =&2 _126#@W%1$# ^5%&5:(2145#3V7(4'4K1(4&5CK:*-A E2)MAC <BC GRS@JGJ FGRQLH WA UA .4:#5:(1( 153 XA ]A "1$8#2C U)&&:456 ()# ]&2%456 *#2': 45 15 +5#>1%( ,#?(&5 T#()&3C H=GK BAH6.A C)D49*AC >@C GO@LJ FGRROH *A W%)$4%8 153 TA VB#2(&5C \ b&?#2=0$ *205%1(#3 ,#?(&5 T#()&3 =&2 b&(#5(41$ .5#26< T454'4K1(4&5CBA C)D49*A C-+DAC HC GSJN@GSLR FGRQPH YA WA -#2:)1?C *)# +5%&'7$#(# U)&$#:8<@U&5D061(# e2134#5( T#()&3 =&2 ()# +(#21(4B# W&$0(4&5 &=W<:(#': &= _45#12 .I01(4&5:C BA C)D49*A E-0"AC <BC ML@ON FGRPQH

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209 "#$%&' ()*+,) -./0* 209

*A \A T15(#0==#$C \5 +5%&'7$#(# ]1%(&24K1(4&5 *#%)54I0# =&2 b&:4(4B# Y#=454(# _45#12 W<:(#':C K:*-AC)D4AC =EC MPL@MRP FGRQSH bA Y#22#0'10>C eA j)156 153 *A W%)$4%8 153 dA /A d2&&8:C \ *205%1(#3 ,#?(&5 T454'4K#2 \317(#3 =&2UX\/TT 153 d4&'&$#%0$12 \77$4%1(4&5:C BA C)D49*A C-+DAC >AC NLJ@NNJ FGRRMH +A WA Y0==C \A TA .24:'15 153 gA -A /#43C I/+*64 O*4750) 95+ 8@;+)* O;4+/6*)C V>=&23 ^54B#2:4(< b2#::CV>=&23C GRQO GJ"&$"#NP &$&'-R 8OJJ"Y#$- /A cA b1770C /A -A X12( 153 gA "A b&53#2C \51$<:4: 153 \77$4%1(4&5 &= b&(#5(41$ .5#26< W'&&()456T#()&3: =&2 e$&;1$ V7(4'4K1(4&5C BA E-0"A C-+DA FC >?<C RPJN@RPMJ FGRRQH _A b4#$1C gA -&:(2&?4%84 153 XA \A W%)#2161C *)# T0$(47$#@T454'1 b2&;$#' 45 ()# U&5=&2'1(4&51$\51$<:4: &= T&$#%0$#:A Y#=&2'1(4&5 &= ()# b&(#5(41$ .5#26< X<7#2:02=1%# ;< ()# Y4==0:4&5 .I01(4&5T#()&3C BA E-0"A C-+DAC D=C LLLR@LLMO FGRQRH gA T1 153 gA .A W(210;C W4'0$1(#3 \55#1$456 ^:456 ()# U$1::4%1$ Y#5:4(< Y4:(24;0(4&5C BA C-+DA E-0"AC>?>C NLL@NMG FGRRMH UA *:&& 153 UA _A d2&&8:C U$0:(#2 W(20%(02# Y#(#2'451(4&5 ^:456 e10::415 Y#5:4(< Y4:(24;0(4&5 e$&;1$T454'4K1(4&5 T#()&3:C BA C-+DA E-0"AC >?>C OMSN@OMGG FGRRMH WA ,181'021C XA X42&:#C TA +8#60%)4 153 gA Y&4C U&5=&2'1(4&51$ .5#26< T454'4K1(4&5 ^:456 1 *?&@W(16# T#()&3C BA E-0"A C-+DAC DDC QLPM@QLPQ FGRRNH *A X0;#2C \A .A *&231 153 "A ]A B15 e05:(#2#5C W(20%(02# V7(4'4K1(4&5 U&';45456 W&=(@U&2#+5(#21%(4&5 ]05%(4&5:C ()# Y4==0:4&5 .I01(4&5 T#()&3C 153 T&$#%0$12 Y<51'4%:C BA E-0"A C-+DA GC >?>CNRJO@NRLS FGRRPH WA W%)#$:(21#(# 153 XA c#2:%)#$3#C ]453456 T454'0'@.5#26< U&5=46021(4&5: &= _#55123@g&5#:U$0:(#2: ^:456 15 .==#%(4B# b&(#5(41$C BA E-0"A C-+DA GC >?>C LGS@LGN FGRRQH +A \5324%4&1#4 153 gA .A W(210;C e$&;1$ V7(4'4K1(4&5 ^:456 d13 Y#24B1(4B#:E Y#24B1(4B#@]2## T#()&3 =&2T&$#%0$12 .5#26< T454'4K1(4&5C BA C)D49*A C-+DAC >DC GMMN@GMNN FGRRQH _A b4#$1C W#12%) =&2 ()# T&:( W(1;$# W(20%(02#: &5 b&(#5(41$ .5#26< W02=1%#:C C)IIA CP+6-A C-+DAC)DD95AC B=C GLOQ@GLQS FGRRQH oo8$#>>&',, -PJVNP JG"#O#SN"#J$ \A VA e24#?158C e#5#21$4K#3 Y#:%#5( =&2 e$&;1$ V7(4'4K1(4&5C BA L4*A <-+)2A G44IAC =EC GG@LR FGRQGH /A \A /A d0($#2 153 .A .A W$1'4581C \5 .B1$01(4&5 &= ()# W54==#2 e$&;1$ V7(4'4K1(4&5 \$6&24()' ^:456W(153123 *#:( ]05%(4&5:C BA C)D49*A E-0"AC DDC JQ@LJ FGRRLH gA "A /&6#2: 153 /A \A Y&55#$$<C b&(#5(41$ *215:=&2'1(4&5 T#()&3: =&2 _126#@W%1$# e$&;1$V7(4'4K1(4&5C H=GK BA L4*.DAC AC QPG@QRG FGRRNH

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210 "#$%&' ()*+,) -./0* 210

#$"&-'N"#J$ O&"YJI8 >J' OJP&?(PN' IR$NO#?8 YA d##'15C W&'# T0$(4:(#7 T#()&3: =&2 ^:# 45 T&$#%0$12 Y<51'4%: U1$%0$1(4&5:C BA C)D49*A E-0"AC<?C GLS@GLR FGRPOH TA _#B4(( 153 XA T#42&B4(%)C +5(#621(456 ()# .I01(4&5: &= T&(4&5C BA K)IA F.)IAC >BHC OGP@OJS FGRQLH gA \IB4:(C "A ]A B15 e05:(#2#5C TA _#4D&5'12%8 153 VA *1741C \ T&$#%0$12 Y<51'4%: W(03< &= ()# U@*#2'451$ ]216'#5( &= ()# _Pa_GJ /4;&:&'1$ b2&(#45C BA K)IA F.)IAC >H=C MOG@MPP FGRQNH "A UA W?&7#C XA UA \53#2:#5C bA XA d#2#5: 153 -A /A "4$:&5C \ U&'70(#2 W4'0$1(4&5 T#()&3 =&2 ()#U1$%0$1(4&5 &= .I04$4;240' U&5:(15(: =&2 ()# ]&2'1(4&5 &= b)<:4%1$ U$0:(#2: &= T&$#%0$#:E \77$4%1(4&5(& W'1$$ "1(#2 U$0:(#2:C BA C-+DA E-0"AC @BC OLP@OMR FGRQJH ?J$8"'N#$" IR$NO#?8 "A ]A B15 e05:(#2#5 153 XA gA UA d#2#53:#5C \$6&24()': =&2 T1%2&'&$#%0$12 Y<51'4%: 153 U&5:(2145(Y<51'4%:CK)IA E-0"AC =EC GLGG@GLJP FGRPPH eA U4%%&((4C TA ]#22124& 153 gA@bA /<%81#2(C T&$#%0$12 Y<51'4%: &= /4643 W<:(#': 45 U12(#:415U&&23451(#:E \ e#5#21$ ]&2'0$1(4&5CK)IA E-0"AC E@C GJNL@GJOM FGRQJH XA UA \53#2:#5C /1(($#E \ ZZc#$&%4(<[[ c#2:4&5 &= ()# W)18# \$6&24()' =&2 T&$#%0$12 Y<51'4%:U1$%0$1(4&5:C BA C)D49*A E-0"AC A<C JM@LM FGRQLH /A -0((#)C /\**_. /#%47# =&2 e#5#21$ X&$&5&'4% U&5:(2145(:E \56$# 153 *&2:4&5 U&5:(2145(:C CCE$(+1"I+**+2C EBC R@GP FGRRQH q1B14$1;$# =2&' ()# ?#; :4(# 1()((7Eaa???A3$A1%A08aUUbaUUbNa5#?:$#((#2y453#>A)('$r dA gA b1$'#2C Y42#%( \77$4%1(4&5 &= WX\-. (& ()# c#$&%4(< c#2$#( \$6&24()'C BA C)D49*A E-0"AC >?EC MPS@MPJ FGRRLH WA T4<1'&(& 153 bA \A -&$$'15C W.**_.E \5 \51$<(4%1$ c#2:4&5 &= ()# WX\-. 153 /\**_. \$6&24()'=&2 /4643 "1(#2 T&3#$:C BA C)D49*A C-+DAC >=C RNJ@ROJ FGRRJH dA X#::C XA d#88#2C XA gA UA d#2#53:#5 153 gA eA .A TA ]2114D#C _+,UWE \ _45#12 U&5:(2145( W&$B#2 =&2T&$#%0$12 W4'0$1(4&5:C BA C)D49*A C-+DAC >HC GMOL@GMPJ FGRRPH gA *A W$0:)#2 153 bA *A U0''456:C ,&5@+(#21(4B# U&5:(2145( Y<51'4%: 0:456 c#$&%4(<@.>7$4%4( c#2$#(T#()&3:CK)IA H.D9IAC >HC JGL@JJM FGRROH PN$-&Z#$U V'J<$#N$ N$I 8"J?YN8"#? IR$NO#?8 TA bA \$$#5C d2&?5415 Y<51'4%: W4'0$1(4&5 &= 1 U)#'4%1$ /#1%(4&5 45 W&$0(4&5C K)IA E-0"AC E?C GSPL@GSQP FGRQSH "A ]A B15 e05:(#2#5 153 XA gA UA d#2#53:#5C \$6&24()': =&2 d2&?5415 Y<51'4%:C K)IA E-0"AC EAC OLP@OMP FGRQJH

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211 "#$%&' ()*+,) -./0* 211

]A e01254#24 153 "A UA W(4$$C \ /1743$< U&5B#26#5( W4'0$1(4&5 T#()&3E T4>#3 T&5(# U12$&aW(&%)1:(4%Y<51'4%:C BA C)D49*A C-+DAC >AC GLSJ@GLGS FGRRMH TA eA b1(#2$454 153 YA TA ]#260:&5C U&5:(15( *#'7#21(02# W4'0$1(4&5: 0:456 ()# _156#B45 .I01(4&5?4() c#$&%4(< c#2$#( +5(#621(4&5C C-+DA E-0"AC <=BC JML@JNJ FGRRQH ?J$8"N$" "&OG&'N"('& N$I G'&88('& IR$NO#?8 XA gA UA d#2#53:#5C gA bA TA b&:('1C "A ]A B15 e05:(#2#5C \A Y4,&$1 153 gA /A X118C T&$#%0$12 Y<51'4%:?4() U&07$456 (& 15 .>(#251$ d1()C BA C-+DA E-0"AC H>C LOQM@LORS FGRQMH "A eA X&&B#2C U15&54%1$ Y<51'4%:E .I04$4;240' b)1:#@:71%# Y4:(24;0(4&5:C E-0"A @+!A GC =>C GORN@GORP FGRQNH gA gA T&21$#:C WA *&>B1#23 153 _A ]A /0$$C U&'70(#2 W4'0$1(4&5 &= 1 b)1:# *215:4(4&5 1( U&5:(15(*#'7#21(02# 153 b2#::02#C E-0"A @+!A GC =EC GMRN@GMRQ FGRQOH dA /A d2&&8:C \$6&24()': =&2 T&$#%0$12 Y<51'4%: 1( U&5:(15( *#'7#21(02# 153 b2#::02#C +5(#251$/#7&2( &= Y4B4:4&5 &= U&'70(#2 /#:#12%) 153 *#%)5&$&6<C ,1(4&51$ +5:(4(0(#: &= X#1$()C GRQQA TA _#B4((C T&$#%0$12 Y<51'4%: &= ,1(4B# b2&(#45E U&'70(#2 W4'0$1(4&5 &= *21D#%(&24#:C BA K)IA F.)IAC>BHC NRN@OJS FGRQLH J("`J>`GPN$& I&>J'ON"#J$ "&'O8 gA /A T17$#C ^A Y4512 153 \A *A X16$#2C Y#24B1(4&5 &= ]&2%# ]4#$3: =&2 T&$#%0$12 T#%)154%: 153Y<51'4%: =2&' (F &.&"&4 .5#26< W02=1%#:C E2)6A (:*IA G6:3A H6.A QHGC HAC NLNS@NLNM FGRQQH WA@XA _##C -A b1$'& 153 WA -24''C ,#? V0(@&=@b$15# \56$# 153 d&53 \56$# +5(#251$ U&&23451(#: 153/#$1(#3 b&(#5(41$ .5#26< ]05%(4&5: =&2 T&$#%0$12 T#%)154%: 153 Y<51'4%: W4'0$1(4&5:C BA C)D49*AC-+DAC <?C GSOP@GSQM FGRRRH N$NPR"#?NP I&'#ZN"#Z&8 J> GJ"&$"#NP >($?"#J$8 -A gA T4$$#2C /A gA X453# 153 gA \53#2:&5C ]42:( 153 W#%&53 Y#24B1(4B# T1(24> .$#'#5(: =&2 ()#W(2#(%)456C d#53456C 153 *&2:4&51$ .5#26<C BA C)D49*A C-+DAC >?C OL@PO FGRQRH YA XA ]1;#2 153 UA \$(&51C ^*\XNE \ c#2:1(4$# b2&621''# b1%816# =&2 ()# U1$%0$1(4&5 &= T&$#%0$12b2&7#2(4#: ;< ]&2%# ]4#$3 T#()&3:C C)D49*+2" R C-+D."*20C >C JSL@JGL FGRPPH "A UA W?&7# 153 YA TA ]#260:&5C \$(#251(4B# .>72#::4&5: =&2 .5#264#: 153 ]&2%#: Y0# (& \56$#d#53456 153 *&2:4&51$ .5#26<C /#7&2( eLJS@LNOGC BA C)D49*A C-+DAC >=C NQN@NRM FGRRJH \A d$&53#$ 153 TA -127$0:C ,#? ]&2'0$1(4&5 =&2 Y#24B1(4B#: &= *&2:4&5 \56$#: 153 +'72&7#2 *&2:4&5\56$#: 45 T&$#%0$12 T#%)154%:E .$4'451(4&5 &= W4560$124(4#:C BA C)D49*A C-+DAC >@C GGLJ@GGMG FGRROH /A .A *0K05C YA "A ,&43 153 dA eA W0'7(#2C .==4%4#5( *2#1('#5( &= V0(@&=@b$15# d#53 153 +'72&7#2*&2:4&5 +5(#21%(4&5: 45 TTJC TTLC 153 TTM T&$#%0$12 T#%)154%: U1$%0$1(4&5:C BA C)D49*A C-+DAC>HC GQSM@GQGG FGRRPH

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212 "#$%&' ()*+,) -./0* 212

"J'8#J$NP 8GN?& I&'#ZN"#Z&8 N$I $J'ONP OJI&8 TA _#B4((C UA W153#2 153 bA WA W(#25C b2&(#45 ,&2'1$@'&3# Y<51'4%:E *2<7:45 +5)4;4(&2C U21';45C/4;&50%$#1:# 153 _<:&K<'#C BA K)IA F.)IAC >H>C MJL@MMP FGRQNH TA _#B4((C b2&(#45 ]&$3456 ;< /#:(2145#3 .5#26< T454'4K1(4&5 153 T&$#%0$12 Y<51'4%:C BA K)IA F.)IAC>@?C PJL@POM FGRQLH XA "18& 153 ,A e&C \$6&24()' =&2 /1743 U1$%0$1(4&5 &= X#::415 &= U&5=&2'1(4&51$ .5#26< ]05%(4&5 &=b2&(#45: ;< W07#2%&'70(#2C BA C)D49*A C-+DAC HC OJN@OLN FGRQPH XA \;#C "A d2105C *A ,&60(4 153 ,A e&C /1743 U1$%0$1(4&5 &= ]42:( 153 W#%&53 Y#24B1(4B#: &=U&5=&2'1(4&51$ .5#26< ?4() /#:7#%( (& Y4)#321$ \56$#: =&2 b2&(#45:E e#5#21$ /#%022#5( .I01(4&5:CC)D49*+2" R C-+D."*20C HC JLR@JMP FGRQMH *A ,&60(4 153 ,A e&C \ T#()&3 &= /1743 U1$%0$1(4&5 &= 1 W#%&53 Y#24B1(4B# T1(24> &= U&5=&2'1(4&51$.5#26< =&2 _126# T&$#%0$#:C BA E-0"A H)6A B:4:5C A<C LOQN@LORS FGRQLH N$NPR"#?NP 8('>N?& N'&N N$I ZJP(O& TA _A U&55&$$<C \51$<(4%1$ T&$#%0$12 W02=1%# U1$%0$1(4&5C BA G44IA C20"*AC >BC NMQ@NNQ FGRQLH TA _A U&55&$$<C U&'70(1(4&5 &= T&$#%0$12 c&$0'#C BA GDA C-+DA H)6AC >?@C GGGQ@GGJM FGRQNH TA _A U&55&$$<C T&$#%0$12 W02=1%#:E \ /#B4#?C 1B14$1;$# =2&' ()# ?#; :4(# 1()((7Eaa???A5#(:%4A&26aW%4#5%#aU&'7%)#'a=#1(02#GMA)('$ UA .A -0532&(C gA "A b&53#2 153 ]A TA /4%)123:C \$6&24()': =&2 U1$%0$1(456 .>%$03#3 c&$0'# 153 +(:Y#24B1(4B#: 1: 1 ]05%(4&5 &= T&$#%0$12 U&5=&2'1(4&5 153 *)#42 ^:# 45 .5#26< T454'4K1(4&5C BAC)D49*A C-+DAC ><C MSJ@MSR FGRRGH *A gA /4%)'&53C W&$B#5( \%%#::4;$# W02=1%# \2#1 153 .>%$03#3 c&$0'# 45 b2&(#45:C BA K)IA F.)IAC >@HCOL@QR FGRQMH _A "#::&5 153 YA .4:#5;#26C \(&'4% W&$B1(4&5 b121'#(#2: \77$4#3 (& T&$#%0$12 Y<51'4%: &= b2&(#45:45 W&$0(4&5C E2)*+.5 H6.+56+C >C JJP@JLN FGRRJH cA e&5&5#1 153 .A V:1?1C +'7$#'#5(1(4&5 &= W&$B#5( .==#%( 45 T&$#%0$12 T#%)154%:C b12( LA *)# ]42:(@153 W#%&53@&23#2 \51$<(4%1$ Y#24B1(4B#: &= .>%$03#3 c&$0'#C BA K)IA H*296*A S<-+)6-+DTC =>> LSN@LJM FGRRMH -A YA e4;:&5 153 XA \A W%)#2161C .>1%( U1$%0$1(4&5 &= ()# c&$0'# 153 W02=1%# \2#1 &= ]0:#3 X123@:7)#2# T&$#%0$#: ?4() ^5#I01$ \(&'4% /1344CK)IA E-0"AC B<C GJMP@GJON FGRQPH -A YA e4;:&5 153 XA \A W%)#2161C W02=1%# \2#1 &= ()# +5(#2:#%(4&5 &= *)2## W7)#2#: ?4() ^5#I01$ /1344E\ W4'7$4=4#3 \51$<(4%1$ ]&2'0$1CK)IA E-0"AC BEC OMG@OMM FGRQQH WA W243)1215C \A ,4%)&$: 153 -A \A W)127C \ /1743 T#()&3 =&2 U1$%0$1(456 Y#24B1(4B#: &= W&$B#5(\%%#::4;$# W02=1%# \2#1: &= T&$#%0$#:C BA C)D49*7 C-+DAC >BC GSLQ@GSMM FGRRNH

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213 "#$%&' ()*+,) -./0* 213

NGG'JQ#ON"& 8('>N?& N'&N N$I ZJP(O& WA gA "&318 153 gA g1545C \51$<(4%1$ \772&>4'1(4&5 (& ()# \%%#::4;$# W02=1%# \2#1 &= b2&(#45:C E2)6A(:*IA G6:3A H6.A QHGC @@C GPLO@GPMS FGRQSH "A X1:#$C *A ]A X#5324%8:&5 153 "A UA W(4$$C \ /1743 \772&>4'1(4&5 (& ()# W&$B#5( \%%#::4;$# W02=1%#\2#1: &= \(&':C <+*2:-+32)5 C)D49*A K+*-)3AC >C GSL@GGO FGRQQH gA "#4:#2C bA WA W)#5845 153 "A UA W(4$$C \772&>4'1(# W&$B#5(@\%%#::4;$# W02=1%# \2#1: =2&'*#(21)#321$$< Y42#%(#3 ,#46);#2 Y#5:4(4#:C F.)4)I0D+2"C A?C LPL@LQS FGRRRH VJ($IN'R ?J$I#"#J$8 N$I $&#-YVJ' O&"YJI8 "A ]A B15 e05:(#2#5C XA gA UA d#2#53:#5C ]A U&$&551C YA b#21)41C gA bA X&$$#5;#26 153 YA _#$$&0%)C V5W#12%)456 ,#46);&2: 45 U&'70(#2 W4'0$1(4&5: &= T1%2&'&$#%0$12 W<:(#':C BA C)D49*A C-+DAC AC JPJ@JPR FGRQMH ]A W0$$4B15C /A YA T&05(145 153 gA V[U&55#$$C T&$#%0$12 Y<51'4%: &5 c#%(&2 U&'70(#2:C BA C)D49*AE-0"AC B>C GLQ@GNL FGRQNH gA d&24:C \ c#%(&24K#3 ZZ,#12 ,#46);&2:[[ \$6&24()' &= V23#2 , ^:456 1 T&5&(&54% _&64%1$ e243C BAC)D49*A E-0"AC BBC G@JS FGRQOH WA eA _1';218&: 153 gA bA d&24:C e#&'#(24% b2&7#2(4#: &= ()# T&5&(&54% _162156415 e243 \$6&24()' =&2,#12 ,#46);&2: U1$%0$1(4&5:C BA C)D49*A E-0"AC @=C GQL@JSJ FGRQPH *A \A \532#1C "A UA W?&7# 153 XA UA \53#2:#5C *)# /&$# &= _&56 /156#3 ]&2%#: 45 Y#(#2'45456 ()#W(20%(02# 153 b2&7#2(4#: &= _4I043 "1(#2C BA C-+DA E-0"AC @DC MNPO@MNQM FGRQLH YA ,A *)#&3&2&0 153 ^A "A W0(#2C e#&'#(24%1$ U&5:43#21(4&5: 45 T&3#$ W<:(#': ?4() b#24&34%d&05312< U&534(4&5:C BA C-+DA E-0"AC H<C RNN@ROO FGRQNH gA d125#: 153 bA X0(C \ X4#212%)4%1$ VF,$&6,H ]&2%#@%1$%0$1(4&5 \$6&24()'C (:*92+C <=EC MMO@MMRFGRQOH ?("J>> N$I "'($?N"#J$ O&"YJI8 bA gA W(#45;1%) 153 dA /A d2&&8:C ,#? W7)#24%1$@U0(&== T#()&3: =&2 _&56@/156# ]&2%#: 45T1%2&'&$#%0$12 W4'0$1(4&5C BA C)D49*A C-+DAC >AC OOP@OQL FGRRLH /A gA _&5%)124%) 153 dA /A d2&&8:C *)# .==#%(: &= *205%1(456 _&56@/156# ]&2%#: &5 b2&(#45 Y<51'4%:CE2)*+.5"C BC LJ@MN FGRQRH UA _A d2&&8: +++C dA TA b#((4(( 153 TA -127$0:C W(20%(021$ 153 .5#26#(4% .==#%(: &= *205%1(456 _&56/156#3 +5(#21%(4&5: 45 +&54% 153 b&$12 ]$043:C BA C-+DA E-0"AC H=C NQRP@NRSQ FGRQNH &<NPI 8(OON"#J$ "&?Y$#K(&8 \A kA *&08'1D4 153 gA \A d&123C g2AC .?1$3 W0''1(4&5 *#%)54I0#: 45 b#2:7#%(4B#E \ W02B#<C C)D4AE-0"A C)DD95AC DAC PL@RJ FGRROH

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214 "#$%&' ()*+,) -./0* 214

*A Y123#5C _A b#2#21C _A _4 153 _A b#3#2:#5C ,#? *24%8: =&2 T&3#$#2: =2&' ()# U2<:(1$$&6217)< *&&$84(E*)# b12(4%$# T#:) .?1$3 \$6&24()' 153 4(: ^:# 45 ,0%$#4% \%43 W4'0$1(4&5:C H*296*92+C @C /NNS@/OSFGRRRH *A Y123#5C YA k&28 153 _A eA b#3#2:#5C b12(4%$# T#:) .?1$3E \5 ,Å$&6FJH T#()&3 =&2 .?1$3 W0': 45_126# W<:(#':C BA C-+DA E-0"AC DHC GSSQR@GSSRJ FGRRLH ^A .::'155C _A b#2#21C TA _A d#28&?4(KC *A Y123#5C XA _## 153 _A eA b#3#2:#5C \ W'&&() b12(4%$# T#:).?1$3 T#()&3C BA C-+DA E-0"AC >?=C QNPP@QNRL FGRRNH "A W'4()C b&45( T0$(47&$#: 45 ()# .?1$3 W0''1(4&5 F/#B4:4(#3HC CCE$ (+1"I+**+2C EBC GQ@LS FGRRQHq1B14$1;$# =2&' )((7Eaa???A3$A1%A08aUUbaUUbNa5#?:$#((#2y453#>A)('$r WA .A ]#$$#2C /A "A b1:(&2C \A /&D50%81245C WA d&60:K 153 dA /A d2&&8:C .==#%( &= .$#%(2&:(1(4% ]&2%#*205%1(4&5 &5 +5(#2=1%41$ 153 *215:7&2( b2&7#2(4#: &= "1(#2C BA E-0"A C-+DAC >??C GPSGG@GPSJSFGRROH "A "#;#2C bA XA X�5#5;#26#2 153 gA \A T%U1''&5C T&$#%0$12 Y<51'4%: W4'0$1(4&5: &= 1 b&$<1$1545#V%(17#7(43# 053#2 .?1$3 d&05312< U&534(4&5:E +5=$0#5%# &= \2(4=4%41$ b#24&34%4(< &5 b#7(43#U&5=&2'1(4&5C BA E-0"A C-+DA FC >?EC LOOQ@LOPN FJSSSH ?J$e(-N"&I N$I N'JON"#? 8R8"&O8 ,A _A \$$456#2C ]A _4C _A k15 153 gA UA *14C T&$#%0$12 T#%)154%: FTTLH U1$%0$1(4&5: &5 U&5D061(#3X<32&%12;&5:C BA C)D49*A C-+DAC >>C QOQ@QRN FGRRSH gA *A W72160#C gA UA *14C kA k0) 153 ,A _A \$$456#2C *)# TTbJ U1$%0$1(4&51$ T#()&3C BA C)D49*A C-+DAC HCNQG@OSL FGRQPH gA -1&C \ T&$#%0$12 V2;4(1$ d1:#3 T&$#%0$12 T#%)154%: \772&1%) (& W(03< U&5D061(#3 X<32&%12;&5:CBA GDA C-+DA H)6AC >?DC LQGQ@LQJR FGRQPH gA -1& 153 ,A _A \$$456#2C U&5=&2'1(4&51$ \51$<:4:E X#1(: &= ]&2'1(4&5 &= U&5D061(#3 X<32&%12;&5: ;<()# ]&2%# ]4#$3 T#()&3C BA GDA C-+DA H)6AC DDC RPN@RQO FGRPPH YA XA _& 153 TA \A ")4(#)#13C \%%021(# X#1(: &= \(&'4K1(4&5 153 \%%021(# d&53 _#56():E d#5K#5&43X<32&%12;&5:C C:5A BA C-+DAC EBC JSJP@JSMS FGROQH eA YA j#4:: 153 TA \A ")4(#)#13C X#(#2&@1(&'4% T&$#%0$#:E W#'4@#'7424%1$ T&$#%0$12 V2;4(1$U1$%0$1(4&5: 153 b2#34%(4&5 &= b)<:4%1$ b2&7#2(4#:C BA C-+DA H)6A GC GPJP@GPLQ FGRPGH >'&& &$&'-R 8#O(PN"#J$ O&"YJI8 bA -&$$'15C ]2## .5#26< U1$%0$1(4&5:E \77$4%1(4&5: (& U)#'4%1$ 153 d4&%)#'4%1$ b)#5&'#51C C-+DA@+!AC D=C JLRN@JMGP FGRRLH dA _A *#';# 153 gA \A T%U1''&5C _46153@/#%#7(&2 +5(#21%(4&5:C C)D49*+2" R C-+D."*20C HC JQG@JQLFGRQMH

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215 "#$%&' ()*+,) -./0* 215

"A _A g&26#5:#5 153 UA /1B4'&)15C T&5(# U12$& W4'0$1(4&5 &= Y4==#2#5%#: 45 ]2## .5#26< &=X<321(4&5C BA C-+DA E-0"AC H=C LSNS@LSNM FGRQNH "A _A g&26#5:#5C gA -A d0%85#2C WA d&03&5 153 gA *4213&@/4B#:C .==4%4#5( U&'70(1(4&5 &= \;:&$0(# ]2##.5#264#: &= d453456 ;< U&'70(#2 W4'0$1(4&5:E \77$4%1(4&5 (& ()# T#()15# Y4'#2 45 "1(#2C BA C-+DAE-0"AC HDC LPMJ@LPMO FGRQQH WA XA ]$#4:%)'15 153 UA _A d2&&8: +++C *)#2'&3<51'4%: &= \I0#&0: W&$B1(4&5E W&$0(4&5 b2&7#2(4#: &=\$%&)&$: 153 \$815#:C BA C-+DA E-0"AC H@C LSJR@LSLP FGRQPH ^A UA W456)C ]A -A d2&?5C bA \A d1:) 153 bA \A -&$$'15C \5 \772&1%) (& ()# \77$4%1(4&5 &= ]2## .5#26<b#2(02;1(4&5 T#()&3: ^:456 T&$#%0$12 Y<51'4%:C BA GDA C-+DA H)6AC >?DC GOSP@GOGM FGRQPH YA \A b#12$'15 153 bA \A -&$$'15C \ ,#? T#()&3 =&2 U122<456 &0( ]2## .5#26< b#2(02;1(4&5U1$%0$1(4&5:E Y<51'4%1$$< T&34=4#3 "453&?:C BA C-+DA E-0"AC D?C JMOS@JMPS FGRQRH *A bA W(211(:'1C XA gA UA d#2#53:#5 153 gA bA TA b&:('1C ]2## .5#26< &= X<32&7)&;4% X<321(4&5E \T&$#%0$12 Y<51'4%: W(03< &= ,&;$# e1:#: 45 "1(#2C BA C-+DA E-0"AC HAC OPJS@OPJP FGRQOH *A bA W(211(:'1 153 XA gA UA d#2#53:#5C ]2## .5#26< &= +&54% X<321(4&5E \51$<:4: &= 1 *)#2'&3<51'4%+5(#621(4&5 *#%)54I0# (& .B1$01(# ]2## .5#26< Y4==#2#5%#: ;< T&$#%0$12 Y<51'4%: W4'0$1(4&5:C BAC-+DA E-0"AC HDC NQPO@NQQO FGRQQH TA T#K#4C *)# ]454(# Y4==#2#5%# *)#2'&3<51'4% +5(#621(4&5C *#:(#3 &5 U1$%0$1(456 ()# X<321(4&5]2## .5#26< Y4==#2#5%# ;#(?##5 \%#(&5# 153 Y4'#()<$1'45# 45 "1(#2C BA C-+DA E-0"AC HBC PSQM@PSQQFGRQPH \A .A T128 153 "A ]A B15 e05:(#2#5C Y#%&'7&:4(4&5 &= ()# ]2## .5#26< &= 1 W<:(#' 45 *#2': &=W7#%4=4% +5(#21%(4&5:C BA K)IA F.)IAC <E?C GOP@GPO FGRRMH WA d&2#:%) 153 TA -127$0:C *)# T#15456 &= U&7'7&5#5( \51$<:4:E Y#%&'7&:4(4&5 &= ()# ]2## .5#26<45 *#2': &= W7#%4=4% +5(#21%(4&5:C BA K)IA F.)IAC <AEC QSG@QSP FGRRNH O&"YJI8 >J' GN'NO&"&' I&"&'O#$N"#J$ ,A _A \$$456#2C `A j)&0 153 gA d#26:'1C T&$#%0$12 T#%)154%: b121'#(#2:C BA K)IA H*296*A S<N?LCN?KTC=><C OR@QL FGRRMH \A gA b#2(:45 153 \A +A -4(146&2&3:8<C "7* N45C`N45C G54*34/;B O*4750f N@@B/6;4/53 45 J+X;3/6O5B*6.B;+ 85B/0)C W72456#2@c#2$16C d#2$45C GRQP YA .A "4$$41':C *215:=#21;$# .'7424%1$ ,&5;&53#3 b&(#5(41$ ]05%(4&5:C 45 ?+E)4;B ?57*)/53 ;30?5395+C;4/53;B &3*+X/*)C .3A ;< /A TA T#(K6#2C W72456#2@c#2$16C d#2$45C GRQG \A *A X16$#2 153 WA _4=:&5C \ b2&%#302# =&2 V;(145456 .5#26< b121'#(#2: =2&' U2<:(1$ b1%8456C G6*:C20"*AC :=?C GLLO@GLMG FGRPMH \A *A X16$#2C WA _4=:&5 153 bA Y10;#2C U&5:4:(#5( ]&2%# ]4#$3 W(034#: &= +5(#2'&$#%0$12 ]&2%#: 45X<32&6#5@d&53#3 U2<:(1$:E \ d#5%)'128 =&2 ()# V;D#%(4B# U&'7124:&5 &= \$(#251(4B# ]&2%# ]4#$3:C BAGDA C-+DA H)6AC >?>C NGJJ@NGLS FGRPRH

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216 "#$%&' ()*+,) -./0* 216

"A _A g&26#5:#5C gA YA T13021 153 UA gA W?#5:&5C V7(4'4K#3 +5(#2'&$#%0$12 b&(#5(41$ ]05%(4&5: =&2_4I043 X<32&%12;&5:C BA GDA C-+DA H)6AC >?BC OOLQ@OOMO FGRQMH "A _A g&26#5:#5 153 UA gA W?#5:&5C V7(4'4K#3 +5(#2'&$#%0$12 b&(#5(41$ ]05%(4&5: =&2 \'43#: 153b#7(43#:E W(20%(02# 153 b2&7#2(4#: &= _4I043 \'43#:C BA GDA C-+DA H)6AC >?@C NOR@NPQ FGRQNH gA /A T17$#C ^A Y4502 153 \A *A X16$#2C Y#24B1(4&5 &= ]&2%# ]4#$3: =&2 T&$#%0$12 T#%)154%: 153Y<51'4%: =2&' (F G.&"&4 W02=1%#:C E2)6A (:*A G6:3A H6.A QHGC HAC NLNS@NLNM FGRQQH ^A Y4502 153 \A *A X16$#2C Y42#%( .B1$01(4&5 &= ,&5;&53456 +5(#21%(4&5: =2&' (F G.&"&4 U1$%0$1(4&5:C BAGDA C-+DA H)6AC >>>C NGMR@NGNG FGRQRH &P&?"'J8"N"#? #$"&'N?"#J$8 WA _A b24%#C *&?123: T&2# \%%021(# T&3#$ +5(#2'&$#%0$12 b&(#5(41$: =&2 V26154% T&$#%0$#:C @+!AC)D49*A C-+DAC >EC JJN@JQR FJSSSH UA XA ]1#2'15 153 WA _A b24%#C \ *215:=#21;$# Y4:(24;0(#3 T0$(47&$# T&3#$ =&2 ()# .$#%(2&:(1(4%+5(#21%(4&5: &= b#7(43#: 153 \'43#:C BA GDA C-+DA H)6AC >><C MRGN@MRJO FGRRSH UA .A Y<8:(21C .$#%(2&:(1(4% +5(#21%(4&5 b&(#5(41$: 45 T&$#%0$12 ]&2%# ]4#$3:C C-+DA @+!AC D=C JLLR@JLNL FGRRLH TA gA Y03#8 153 gA "A b&53#2C \%%021(# T&3#$456 &= ()# +5(21'&$#%0$12 .$#%(2&:(1(4% .5#26< &=b2&(#45:C BA C)D49*A C-+DAC >BC PRG@QGO FGRRNH ^A -&%) 153 .A .6#2(C \5 +'72&B#3 Y#:%247(4&5 &= ()# T&$#%0$12 U)126# Y#5:4(< 45 ]&2%# ]4#$3: ?4()\(&'4% T0$(47&$# T&'#5(:C BA C)D49*A C-+DAC >BC RLP@RMM FGRRNH YA .A "4$$41':C /#72#:#5(1(4&5 &= ()# T&$#%0$12 .$#%(2&:(1(4% b&(#5(41$ ;< \(&'4% T0$(47&$# 153 d&53Y47&$# T&3#$:C BA C)D49*A C-+DAC DC PMN@POL FGRQQH ]A U&$&551C .A .B$#() 153 gA eA \56<15C U24(4%1$ \51$<:4: &= .$#%(24% ]4#$3 T&3#$456E ]&2'1'43#C BAC)D49*A C-+DAC >=C GJLM@GJMN FGRRJH GJPN'#SN"#J$ &>>&?"8 WA -0?1D4'1 153 \A "12:)#$C +5%&27&21(456 .$#%(24% b&$124K1;4$4(4#: 45 "1(#2@"1(#2 +5(#21%(4&5b&(#5(41$:C BA E-0"A C-+DAC DEC MOS@MOO FGRRSH gA "A U1$3?#$$ 153 bA \A -&$$'15C W(20%(02# 153 b2&7#2(4#: &= ,#1( _4I043: ^:456 ,&51334(4B#T&$#%0$12 Y<51'4%:E "1(#2C T#()15&$C 153 ,@T#()<$1%#(1'43#C BA E-0"A C-+DAC DDC OJSQ@OJGRFGRRNH YA ,A d#25123&C kA Y456C -A -2&#6)@g#:7#2:#5 153 /A TA _#B<C \5 \54:&(2&74% b&$124K1;$# "1(#2 T&3#$E+5%&27&21(4&5 &= \$$@\(&' b&$124K1;4$4(4#: 45(& T&$#%0$12 T#%)154%: ]&2%# ]4#$3:C BA E-0"A C-+DAC DHCMGQS@MGQP FGRRMH

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217 "#$%&' ()*+,) -./0* 217

bA *A B15 Y04D5#5 153 TA W?12(C T&$#%0$12 153 \(&'4% b&$124K1;4$4(4#:E *)&$#[: T&3#$ /#B4:4(#3C BAE-0"A C-+DA GC >?<C JLRR@JMSP FGRRQH -A gA T4$$#2C U1$%0$1(4&5 &= ()# T&$#%0$12 b&$124K1;4$4(< *#5:&2C BA GDA C-+DA H)6AC >><C QNML@QNNGFGRRSH gA \77$#I04:(C gA /A U12$ 153 -A@-A ]056C \5 \(&' Y47&$# +5(#21%(4&5 T&3#$ =&2 T&$#%0$12 b&$124K1;4$4(<A\77$4%1(4&5 (& b&$<1(&'4% T&$#%0$#: 153 Y#(#2'451(4&5 &= \(&' b&$124K1;4$4(4#:C BA GDA C-+DA H)6ACDEC JRNJ@JROS FGRPJH gA \77$#I04:(C \(&' U)126# *215:=#2 45 T&$#%0$12 b&$124K1;4$4(4#:A \77$4%1(4&5 &= ()# V$:&5@W053;#26T&3#$ (& \$47)1(4% 153 \2&'1(4% X<32&%12;&5:C BA E-0"A C-+DAC D@C OSGO@OSJL FGRRLH \A gA W(&5#C Y4:(24;0(#3 b&$124K1;4$4(4#:CK)IA E-0"AC ABC GSON@GSQJ FGRQNH gA TA W(&0( 153 UA .A Y<8:(21C \ Y4:(24;0(#3 T&3#$ &= ()# .$#%(24%1$ /#:7&5:# &= V26154% T&$#%0$#:C BAE-0"A C-+DA GC >?<C GNPO@GNQJ FGRRQH ON?'J8?JG#? "'&N"O&$" J> 8JPZ&$" UA gA U21'#2 153 YA eA *20)$12C U&5(4500' W&$B1(4&5 T&3#$:E U$1::4%1$ 153 h015(0' T#%)154%1$+'7$#'#5(1(4&5:C @+!A C)D49*A C-+DAC BC G@PJ FGRRNH dA/&0> 153 *A W4'&5:&5C +'7$4%4( W&$B1(4&5 T&3#$:C F.)4-0"A C-+DAC @HC G@JS FGRRRH TA -A e4$:&5C +5(2&30%(4&5 (& U&5(4500' .$#%(2&:(1(4%: ?4() T&$#%0$12 \77$4%1(4&5:C 1B14$1;$# =2&')((7Eaa64$:&5$1;A0';4A0'3A#30 8('>N?& N'&N`VN8&I 8JPZN"#J$ OJI&P8 YA .4:#5;#26 153 \A YA T%_1%)$15C W&$B1(4&5 .5#26< 45 b2&(#45 ]&$3456 153 d453456C (:*92+C =>DC GRR@JSL FGRQOH _A "#::&5 153 YA .4:#5;#26C \(&'4% W&$B1(4&5 b121'#(#2: \77$4#3 (& T&$#%0$12 Y<51'4%: &= b2&(#45:45 W&$0(4&5C E2)*A H6.AC >C JJP@JLN FGRRJH *A V&4C TA V&;1(18#C eA ,#'#()< 153 XA \A W%)#2161C \%%#::4;$# W02=1%# \2#1: 1: 1 T#1:02# &= ()#*)#2'&3<51'4% b121'#(#2: &= X<321(4&5 &= b#7(43#:C E2)6A (:*IA G6:3A H6.A QHGC HEC LSQO@LSRSFGRQPH gA YA \06:7026#2 153 XA \A W%)#2161C \5 .==4%4#5(C Y4==#2#5(41;$# X<321(4&5 b&(#5(41$ =&2 b#7(43#: 153b2&(#45:C BA C)D49*A C-+DAC >@C GNMR@GNNQ FGRROH -&$&'NP#S&I VJ'$ 8JPZN"#J$ OJI&P8 "A UA W(4$$C \A *#'7%K<8C /A UA X1?$#< 153 *A X#5324%8:&5C \ W#'4#'7424%1$ *2#1('#5( &= W&$B1(4&5 =&2T&$#%0$12 T#%)154%: 153 Y<51'4%:C BA GDA C-+DA H)6AC >><C OGJP@OGJR FGRRSH

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218 "#$%&' ()*+,) -./0* 218

YA h40C bA WA W)#5845C ]A bA X&$$456#2 153 "A UA W(4$$C *)# edaW\ U&5(4500' T&3#$ =&2 W&$B1(4&5A \ ]1:(\51$<(4%1$ T#()&3 =&2 ()# U1$%0$1(4&5 &= \772&>4'1(# d&25 /1344C BA E-0"A C-+DA GC >?>C LSSN@LSGMFGRRPH eA YA X1?845:C UA gA U21'#2 153 YA eA *20)$12C b142?4:# W&$0(# Y#:%2##5456 &= W&$0(# U)126#: =2&' 1Y4#$#%(24% T#340'C C-+DA E-0"A U+**AC <EBC GJJ@GJR FGRRNH eA YA X1?845:C UA gA U21'#2 153 YA eA *20)$12C b121'#(24K#3 T&3#$: &= \I0#&0: ]2## .5#264#: &=W&$B1(4&5 d1:#3 &5 b142?4:# Y#:%2##5456 &= W&$0(# \(&'4% U)126#: =2&' 1 Y4#$#%(24% T#340'C BA E-0"AC-+DAC >??C GRQJM@GRQLR FGRROH \A V50=24#BC YA d1:)=&23 153 YA \A U1:#C T&34=4%1(4&5 &= ()# e#5#21$4K#3 d&25 T&3#$ W04(1;$# =&2T1%2&'&$#%0$#:C BA E-0"A C-+DA FC >?EC LPGJ@LPJS FJSSSH TA W%)1#=#2 153 TA -127$0:C \ U&'72#)#5:4B# \51$<(4%1$ *2#1('#5( &= U&5(4500' .$#%(2&:(1(4%:C BAE-0"A C-+DAC >??C GNPQ@GNRR FGRROH TA W%)1#=#2C UA d12(#$: 153 TA -127$0:C W&$0(4&5 U&5=&2'1(4&5: 153 *)#2'&3<51'4%: &= W(20%(02#3b#7(43#:E T&$#%0$12 Y<51'4%: W4'0$1(4&5 ?4() 15 +'7$4%4( W&$B1(4&5 T&3#$C BA K)IA F.)IAC <HEC QLN@QMQFGRRQH 8(G&'GJ8#"#J$ J> ?JJ'I#$N"& 8&"8 WA gA -#12:$#<C \5 \$6&24()' =&2 ()# W4'0$(15#&0: W07#27&:4(4&5 &= 1 W(20%(021$ W#24#:C BA C)D49*AC-+DAC >>C GGQP@GGRJ FGRRSH /A Y41'&53C \ ,&(# &5 ()# /&(1(4&51$ W07#27&:4(4&5 b2&;$#'C G6*: C20"*AC IEEC JGG@JGO FGRQQH \A YA T%_1%)$15C /1743 U&'7124:&5 &= b2&(#45 W(20%(02#:C G6*: C20"*AC I=HC QPG@QPL FGRQJH WA UA ,<;026C W&'# ^:#: &= 1 d#:( T&$#%0$12 ]4( /&0(45#C G6*: C20"*AC :=?C JNG@JNL FGRPMH PJ?N"#J$ J> "'N$8#"#J$ 8"N"&8 /A UK#2'45:84 153 /A .$;#2C /#1%(4&5 b1() W(03< &= U&5=&2'1(4&51$ *215:4(4&5: 153 X#$4> ]&2'1(4&545 1 *#(217#7(43#C E2)6A (:*A G6:3A H6.A QHGC HBC OROL FGRQRH /A WA d#22<C XA _A Y1B4: 153 *A _A d#%8C ]453456 W133$#: &5 T0$(434'#5:4&51$ b&(#5(41$ W02=1%#:C C-+DAE-0"A U+**AC >E@C GL FGRQQH -A T0$$#2C /#1%(4&5 b1(): &5 T0$(434'#5:4&51$ .5#26< X<7#2:02=1%#:C G5MA C-+DA =5*A ?3A ?5MIAC >DCG@GL FGRQSH WA d#$$ 153 gA WA U246)(&5C _&%1(456 *215:4(4&5 W(1(#:C BA C-+DA E-0"AC H?C JMOM@JMPN FGRQMH WA ]4:%)#2 153 TA -127$0:C U&5D061(# b#18 /#=45#'#5(E \5 \$6&24()' =&2 ]453456 /#1%(4&5 b1(): 153\%%021(# *215:4(4&5 W(1(#: 45 W<:(#': ?4() T15< Y#62##: &= ]2##3&'C C-+DA E-0"A U+**AC >DEC JNJ@JOG FGRRJH

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219 "#$%&' ()*+,) -./0* 219

gA .A W45%$142 153 /A ]$#(%)#2C \ ,#? T#()&3 &= W133$#@b&45( _&%1(4&5 =&2 ()# U1$%0$1(4&5 &= Y#=#%(T4621(4&5 .5#264#:C BA E-0"A CC @C QOM@QPS FGRPMH /A .$;#2 153 TA -127$0:C \ T#()&3 =&2 Y#(#2'45456 /#1%(4&5 b1(): 45 _126# T&$#%0$#:E \77$4%1(4&5 (&T<&6$&;45C C-+DA E-0"A U+**AC >=DC LPN@LQS FGRQPH YA *A ,60<#5 153 YA \A U1:#C V5 ]453456 W(1(4&512< W(1(#: &5 _126#@T&$#%0$# b&(#5(41$ .5#26<W02=1%#:C BA E-0"A C-+DAC HDC MSJS@MSJO FGRQNH *A \A X1$62#5 153 "A ,A _47:%&';C *)# W<5%)2&5&0:@*215:4( T#()&3 =&2 Y#(#2'45456 /#1%(4&5b1()?1<: 153 _&%1(456 T&$#%0$12 *215:4(4&5 W(1(#:C C-+DA E-0"A U+**AC EDC JJN@JLJ FGRPPH eA *A d128#'1 153 ,A T&0::#10C .B#5(@d1:#3 /#$1>1(4&5 &= U&5(450&0: Y4:&23#2#3 W<:(#':C E-0"A@+!A U+**AC @@C MLNQ@MLOG FGRROH