
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated from an entry in the Cambridge 
# Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting 
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_0001
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2'
_symmetry_Int_Tables_number      5
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 -x,y,-z
4 1/2-x,1/2+y,-z
_cell_length_a                   158.73
_cell_length_b                   54.81
_cell_length_c                   84.7
_cell_angle_alpha                90
_cell_angle_beta                 112.77
_cell_angle_gamma                90
_cell_volume                     679460
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N N -0.34321 0.128463 -0.384555
CA C -0.341922 0.113028 -0.369408
CB C -0.346044 0.125252 -0.357885
C C -0.346212 0.0879227 -0.375234
O O -0.353033 0.0854048 -0.388499
N N -0.342183 0.0694405 -0.365183
CA C -0.345242 0.0443718 -0.369165
CB C -0.33724 0.026583 -0.361137
CG C -0.330142 0.0286447 -0.368563
ND1 N -0.323094 0.0451929 -0.362801
CE1 C -0.318225 0.0437515 -0.372417
NE2 N -0.321831 0.0266924 -0.384082
CD2 C -0.329386 0.0172963 -0.382199
C C -0.352602 0.0391538 -0.36234
O O -0.351417 0.0453388 -0.347385
N N -0.360143 0.0282068 -0.373198
CA C -0.367776 0.0214744 -0.368461
CB C -0.375561 0.0401208 -0.374824
CG C -0.372855 0.065609 -0.368525
ND1 N -0.371391 0.0729618 -0.352072
CE1 C -0.369232 0.0963883 -0.350279
NE2 N -0.369346 0.10458 -0.365016
CD2 C -0.37157 0.085715 -0.376642
C C -0.371566 -0.00299218 -0.376591
O O -0.370416 -0.010053 -0.389024
N N -0.376021 -0.0160556 -0.369242
CA C -0.380956 -0.0380226 -0.377001
CB C -0.374792 -0.0602632 -0.372046
CG C -0.371015 -0.0662841 -0.35339
CD1 C -0.36286 -0.058311 -0.340625
NE1 N -0.361789 -0.0680174 -0.325401
CE2 C -0.369094 -0.0826316 -0.327155
CD2 C -0.375163 -0.0817011 -0.344556
CE3 C -0.383214 -0.0953484 -0.349741
CZ3 C -0.385046 -0.108612 -0.337744
CH2 C -0.379068 -0.108631 -0.32042
CZ2 C -0.371042 -0.0959869 -0.314991
C C -0.388822 -0.0408141 -0.37147
O O -0.388612 -0.0305786 -0.358307
N N -0.395667 -0.054662 -0.381034
CA C -0.403371 -0.0594787 -0.376207
C C -0.408917 -0.0808801 -0.385797
O O -0.405154 -0.0983953 -0.389818
N N -0.417814 -0.0794752 -0.389101
CA C -0.424356 -0.0986142 -0.397743
CB C -0.427954 -0.110182 -0.384965
CG C -0.420587 -0.123409 -0.370829
CD1 C -0.418403 -0.147237 -0.372699
CE1 C -0.411592 -0.159662 -0.359395
CZ C -0.406988 -0.14773 -0.34421
OH O -0.400369 -0.160465 -0.331163
CE2 C -0.409082 -0.124102 -0.341995
CD2 C -0.4158 -0.111805 -0.355183
C C -0.432173 -0.0892728 -0.414184
O O -0.438782 -0.102427 -0.421905
N N -0.430913 -0.0674518 -0.419766
CA C -0.437537 -0.0557202 -0.434453
C C -0.43701 -0.0639305 -0.451213
O O -0.431556 -0.0796029 -0.451405
N N -0.442528 -0.0527645 -0.465425
CA C -0.4431 -0.0587489 -0.482749
CB C -0.450747 -0.0437515 -0.495835
C C -0.434047 -0.054881 -0.485131
O O -0.431186 -0.0705899 -0.49248
N N -0.429503 -0.0344101 -0.478409
CA C -0.42157 -0.0262181 -0.481699
CB C -0.421653 0.00164205 -0.483351
C C -0.412519 -0.0340087 -0.468101
O O -0.405844 -0.0364718 -0.47193
N N -0.412322 -0.0379131 -0.452353
CA C -0.404015 -0.0428028 -0.437474
CB C -0.402123 -0.0214926 -0.42435
CG C -0.408318 -0.0214926 -0.414017
OD1 O -0.414308 -0.0371468 -0.4159
ND2 N -0.406565 -0.00372198 -0.402353
C C -0.403772 -0.0677437 -0.428947
O O -0.397552 -0.0726151 -0.414965
N N -0.410486 -0.083179 -0.437269
CA C -0.411906 -0.106569 -0.430355
C C -0.406349 -0.127569 -0.432916
O O -0.400524 -0.123938 -0.438998
N N -0.407895 -0.149864 -0.427833
CA C -0.402417 -0.171175 -0.427449
CB C -0.407887 -0.191828 -0.423889
CG C -0.411971 -0.180096 -0.412699
CD C -0.414365 -0.154845 -0.419472
C C -0.400314 -0.176466 -0.443287
O O -0.392793 -0.184019 -0.441341
N N -0.406834 -0.171758 -0.458665
N N -0.406809 -0.171777 -0.458665
CA C -0.405314 -0.175553 -0.474427
CA C -0.405188 -0.175681 -0.474337
CB C -0.414457 -0.174276 -0.489907
CB C -0.414286 -0.174824 -0.489868
CG C -0.419963 -0.151123 -0.491187
CG C -0.420885 -0.194546 -0.489305
C C -0.398266 -0.158148 -0.47645
C C -0.398253 -0.158166 -0.47645
O O -0.394528 -0.163275 -0.486386
O O -0.394523 -0.163256 -0.48636
N N -0.396255 -0.137987 -0.466744
CA C -0.389634 -0.119651 -0.467538
CB C -0.394123 -0.0946186 -0.470329
CG C -0.402346 -0.0929948 -0.486718
ND1 N -0.401854 -0.0953484 -0.502519
CE1 C -0.41013 -0.0935604 -0.514593
NE2 N -0.415977 -0.0900756 -0.507179
CD2 C -0.411291 -0.0898931 -0.489766
C C -0.380529 -0.119122 -0.452365
O O -0.374377 -0.105949 -0.452288
N N -0.379834 -0.134101 -0.43942
CA C -0.371438 -0.133462 -0.423351
CB C -0.372218 -0.150375 -0.409587
CG C -0.379056 -0.142183 -0.402519
CD1 C -0.383183 -0.120143 -0.404414
NE1 N -0.388969 -0.119249 -0.395733
CE2 C -0.388288 -0.141344 -0.387462
CD2 C -0.382094 -0.155995 -0.391149
CE3 C -0.380422 -0.179586 -0.384607
CZ3 C -0.384765 -0.18734 -0.373877
CH2 C -0.390609 -0.172379 -0.370176
CZ2 C -0.392669 -0.149372 -0.37695
C C -0.362862 -0.140049 -0.426335
O O -0.355485 -0.130506 -0.417974
N N -0.364134 -0.154553 -0.439997
CA C -0.356485 -0.162198 -0.444235
CB C -0.359751 -0.18037 -0.458985
CG C -0.365166 -0.168985 -0.476117
ND1 N -0.374458 -0.164953 -0.482032
CE1 C -0.3772 -0.154079 -0.497231
NE2 N -0.369908 -0.149919 -0.500636
CD2 C -0.362321 -0.159169 -0.487781
C C -0.351304 -0.14118 -0.448678
O O -0.343343 -0.14399 -0.447103
N N -0.355735 -0.120198 -0.453633
CA C -0.351327 -0.0996907 -0.458857
CB C -0.358001 -0.0785447 -0.46668
CG C -0.36613 -0.0853319 -0.482736
CD C -0.371761 -0.062854 -0.491213
CE C -0.376246 -0.0655908 -0.510611
NZ N -0.384337 -0.0822849 -0.516693
C C -0.342994 -0.0907689 -0.443582
O O -0.335561 -0.0888167 -0.444683
N N -0.344223 -0.0863353 -0.429152
CA C -0.336732 -0.0781616 -0.413531
CB C -0.340288 -0.0618141 -0.402929
CG C -0.34297 -0.0361798 -0.410547
OD1 O -0.342485 -0.0301225 -0.424248
OD2 O -0.346044 -0.021967 -0.402583
C C -0.331645 -0.0995995 -0.402596
O O -0.323709 -0.0962059 -0.391956
N N -0.336042 -0.121001 -0.40485
CA C -0.33232 -0.14253 -0.393813
CB C -0.337356 -0.147018 -0.381802
CG C -0.337071 -0.12538 -0.370842
CD1 C -0.32939 -0.120964 -0.355798
CE1 C -0.329114 -0.100238 -0.345977
CZ C -0.336286 -0.083854 -0.350996
CE2 C -0.343724 -0.087649 -0.366271
CD2 C -0.344146 -0.108521 -0.375849
C C -0.33314 -0.164898 -0.40517
O O -0.3392 -0.180005 -0.407756
N N -0.326714 -0.167033 -0.411789
CA C -0.327963 -0.186427 -0.424427
CB C -0.320185 -0.181811 -0.430509
CG C -0.314028 -0.162928 -0.418998
CD C -0.319443 -0.149791 -0.410624
C C -0.327455 -0.212591 -0.41791
O O -0.3305 -0.22965 -0.427654
N N -0.324098 -0.216076 -0.400919
CA C -0.324425 -0.239958 -0.393685
CB C -0.318924 -0.240141 -0.373787
CG1 C -0.316624 -0.266286 -0.367744
CD1 C -0.310281 -0.279787 -0.374312
CG2 C -0.324068 -0.226384 -0.36444
C C -0.334335 -0.248351 -0.397987
O O -0.335885 -0.269661 -0.39549
N N -0.340992 -0.231566 -0.404325
CA C -0.350527 -0.238626 -0.40983
CB C -0.356738 -0.216951 -0.417334
C C -0.353148 -0.259791 -0.42234
O O -0.359573 -0.272872 -0.423313
N N -0.348278 -0.26229 -0.432135
CA C -0.349697 -0.282542 -0.444132
CB C -0.348788 -0.27269 -0.460201
CG C -0.355614 -0.253149 -0.469612
CD C -0.354757 -0.245742 -0.486117
CE C -0.362407 -0.228063 -0.495796
NZ N -0.362732 -0.221056 -0.512595
C C -0.343039 -0.303907 -0.437333
O O -0.34213 -0.31936 -0.446872
N N -0.338797 -0.305129 -0.420483
CA C -0.331734 -0.322736 -0.411597
C C -0.33505 -0.348407 -0.410727
O O -0.343303 -0.354172 -0.417346
N N -0.328412 -0.363678 -0.401918
CA C -0.329742 -0.389713 -0.401341
CB C -0.320827 -0.402941 -0.399267
CG C -0.317395 -0.397686 -0.413428
CD C -0.322144 -0.412465 -0.429625
OE1 O -0.328841 -0.426513 -0.431303
OE2 O -0.318697 -0.410969 -0.440726
C C -0.332866 -0.397978 -0.387398
O O -0.335497 -0.418923 -0.387385
N N -0.332388 -0.381685 -0.37526
CA C -0.33421 -0.388582 -0.359856
CB C -0.325398 -0.393289 -0.344095
CG C -0.318967 -0.411479 -0.347334
CD C -0.312222 -0.421715 -0.330625
NE N -0.306866 -0.403379 -0.318384
CZ C -0.299367 -0.392213 -0.318589
NH1 N -0.296419 -0.396227 -0.331406
NH2 N -0.294916 -0.376157 -0.305913
C C -0.340068 -0.369352 -0.35622
O O -0.338266 -0.361926 -0.341547
N N -0.347332 -0.361342 -0.369191
CA C -0.353265 -0.342185 -0.367411
CB C -0.357374 -0.327753 -0.384261
CG C -0.350289 -0.312099 -0.387475
CD C -0.347218 -0.291336 -0.375106
OE1 O -0.352401 -0.274934 -0.375554
NE2 N -0.338605 -0.292923 -0.363262
C C -0.360802 -0.352256 -0.362174
O O -0.363767 -0.373274 -0.365887
N N -0.363437 -0.336912 -0.352417
CA C -0.370705 -0.343353 -0.346399
CB C -0.366531 -0.344575 -0.326553
OG O -0.360248 -0.363605 -0.321419
C C -0.378089 -0.323867 -0.351982
O O -0.376203 -0.303268 -0.355298
N N -0.386428 -0.329651 -0.35307
CA C -0.389211 -0.353333 -0.34855
CB C -0.397995 -0.347002 -0.346361
CG C -0.402214 -0.328027 -0.360202
CD C -0.394153 -0.3125 -0.358781
C C -0.391416 -0.371705 -0.36371
O O -0.390154 -0.366013 -0.376668
N N -0.394304 -0.393216 -0.361252
CA C -0.397234 -0.412501 -0.374158
CB C -0.389869 -0.432425 -0.370804
CG1 C -0.381197 -0.422025 -0.37161
CG2 C -0.387764 -0.445561 -0.353928
C C -0.405858 -0.424178 -0.374158
O O -0.407988 -0.421897 -0.361559
N N -0.410722 -0.436895 -0.388038
CA C -0.41802 -0.453023 -0.388601
CB C -0.424478 -0.458187 -0.407244
CG C -0.432222 -0.475118 -0.40823
OD1 O -0.43737 -0.468696 -0.400637
OD2 O -0.433086 -0.494914 -0.416501
C C -0.413656 -0.477016 -0.380253
O O -0.407322 -0.486339 -0.383262
N N -0.417293 -0.486977 -0.370164
CA C -0.413967 -0.50993 -0.360586
CB C -0.412711 -0.508452 -0.341752
CG1 C -0.40604 -0.487963 -0.333147
CD1 C -0.406193 -0.480026 -0.316041
CG2 C -0.409352 -0.532973 -0.332866
C C -0.42108 -0.528886 -0.370471
O O -0.428502 -0.529233 -0.369408
N N -0.418656 -0.544121 -0.380151
CA C -0.424472 -0.563716 -0.390099
CB C -0.422486 -0.568934 -0.406233
CG C -0.428296 -0.58966 -0.417436
OD1 O -0.432148 -0.604639 -0.411469
OD2 O -0.428783 -0.591102 -0.432301
C C -0.422346 -0.585719 -0.378128
O O -0.414862 -0.5959 -0.373339
N N -0.428918 -0.592835 -0.37316
CA C -0.427273 -0.61201 -0.360433
CB C -0.43462 -0.612448 -0.352814
OG1 O -0.443402 -0.616426 -0.366054
CG2 C -0.434624 -0.588365 -0.343557
C C -0.426283 -0.637371 -0.367142
O O -0.422713 -0.654065 -0.356809
N N -0.429194 -0.640199 -0.384043
CA C -0.427674 -0.663169 -0.391482
CB C -0.434341 -0.665942 -0.410189
CG C -0.444144 -0.667311 -0.412238
ND1 N -0.449433 -0.646767 -0.413838
CE1 C -0.457727 -0.653299 -0.415349
NE2 N -0.458001 -0.677364 -0.414722
CD2 C -0.449585 -0.686578 -0.412711
C C -0.417803 -0.665851 -0.390023
O O -0.41469 -0.686213 -0.390202
N N -0.412876 -0.645672 -0.388525
CA C -0.40336 -0.646858 -0.387078
CB C -0.402037 -0.63177 -0.401201
OG1 O -0.404077 -0.606719 -0.399549
CG2 C -0.408312 -0.640965 -0.418563
C C -0.396203 -0.638757 -0.369959
O O -0.388086 -0.643136 -0.366745
N N -0.399094 -0.626953 -0.359127
CA C -0.392879 -0.619363 -0.342238
CB C -0.39649 -0.596867 -0.336297
C C -0.391849 -0.640673 -0.330202
O O -0.397057 -0.643191 -0.322661
N N -0.384918 -0.655598 -0.328218
CA C -0.383988 -0.67928 -0.320202
CB C -0.378823 -0.69685 -0.32759
CG C -0.383983 -0.702633 -0.34663
CD C -0.392222 -0.719035 -0.349677
C C -0.379286 -0.678568 -0.300728
O O -0.373124 -0.663936 -0.29316
N N -0.382358 -0.694843 -0.292725
CA C -0.377998 -0.69913 -0.274415
CB C -0.382911 -0.719875 -0.269499
CG C -0.378085 -0.728724 -0.251317
CD1 C -0.376739 -0.713325 -0.237322
CE1 C -0.372326 -0.721553 -0.220587
CZ C -0.369248 -0.745673 -0.217642
OH O -0.364808 -0.754978 -0.201266
CE2 C -0.370576 -0.761017 -0.231304
CD2 C -0.37496 -0.752789 -0.247898
C C -0.36785 -0.705333 -0.269268
O O -0.365541 -0.720641 -0.277488
N N -0.361926 -0.693255 -0.256016
CA C -0.35211 -0.698181 -0.249179
CB C -0.346734 -0.675357 -0.24978
CG C -0.336546 -0.68021 -0.244774
OD1 O -0.333056 -0.699258 -0.237053
OD2 O -0.331963 -0.664738 -0.248756
C C -0.349243 -0.707048 -0.230779
O O -0.348494 -0.692416 -0.219345
N N -0.347431 -0.730986 -0.227834
CA C -0.344926 -0.740455 -0.210331
CB C -0.344678 -0.768297 -0.21261
CG C -0.342946 -0.771745 -0.228628
CD C -0.347196 -0.750161 -0.239934
C C -0.335809 -0.73115 -0.197207
O O -0.334204 -0.733832 -0.182022
N N -0.329933 -0.720659 -0.202892
CA C -0.321295 -0.710205 -0.191177
CB C -0.314425 -0.708727 -0.19964
OG O -0.316769 -0.689625 -0.211906
C C -0.322254 -0.684936 -0.184134
O O -0.315741 -0.676379 -0.17206
N N -0.330172 -0.673131 -0.191663
CA C -0.331934 -0.649613 -0.185184
CB C -0.340789 -0.637918 -0.197438
CG C -0.340351 -0.625566 -0.213225
CD1 C -0.349977 -0.618506 -0.224941
CD2 C -0.334076 -0.603508 -0.208283
C C -0.332735 -0.652386 -0.16786
O O -0.337993 -0.667366 -0.165684
N N -0.327694 -0.637042 -0.155837
CA C -0.327868 -0.636495 -0.138834
CB C -0.318906 -0.626479 -0.12603
CG C -0.310512 -0.640582 -0.125133
CD C -0.302012 -0.629671 -0.111612
CE C -0.293667 -0.645909 -0.10763
NZ N -0.289072 -0.641294 -0.119641
C C -0.33592 -0.621352 -0.138347
O O -0.34042 -0.607486 -0.150434
N N -0.338033 -0.624745 -0.12457
CA C -0.344712 -0.608744 -0.122317
CB C -0.346193 -0.619327 -0.10676
CG C -0.341935 -0.643775 -0.103802
CD C -0.334819 -0.643556 -0.111203
C C -0.341015 -0.582964 -0.118539
O O -0.332785 -0.57895 -0.110166
N N -0.347339 -0.565905 -0.124724
CA C -0.345308 -0.540599 -0.121753
CB C -0.353131 -0.526095 -0.134621
CG C -0.351076 -0.499822 -0.136721
CD1 C -0.343771 -0.497997 -0.144211
CD2 C -0.359908 -0.487543 -0.148373
C C -0.344225 -0.535327 -0.103239
O O -0.34954 -0.544321 -0.0975537
N N -0.337208 -0.521278 -0.0941222
CA C -0.335695 -0.512064 -0.0771825
CB C -0.325891 -0.51845 -0.0648523
OG O -0.323178 -0.506025 -0.0493338
C C -0.337204 -0.484204 -0.0780532
O O -0.331819 -0.470666 -0.0810237
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CG2 C -0.359803 -0.454793 -0.104173
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O O -0.33099 -0.37758 -0.0306016
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CA C -0.348437 -0.361069 -0.0323557
CB C -0.357203 -0.35658 -0.0485656
CG C -0.356774 -0.356763 -0.0662607
CD1 C -0.348508 -0.356234 -0.0684246
CE1 C -0.348511 -0.355522 -0.0850954
CZ C -0.356856 -0.355011 -0.0991798
OH O -0.356843 -0.354227 -0.115223
CE2 C -0.364963 -0.355467 -0.0969135
CD2 C -0.365008 -0.355923 -0.0807804
C C -0.350294 -0.353369 -0.0166964
O O -0.354042 -0.333519 -0.0166324
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CG C -0.352001 -0.405897 0.0198846
OD1 O -0.35838 -0.40856 0.00568498
OD2 O -0.350095 -0.422153 0.0311905
C C -0.345043 -0.337551 0.020512
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CA C -0.332544 -0.308213 0.0259409
CB C -0.322397 -0.313248 0.036453
CG C -0.320706 -0.331238 0.0511392
CD C -0.310611 -0.332935 0.0621378
OE1 O -0.307029 -0.31801 0.0734437
NE2 N -0.305957 -0.350614 0.0585911
C C -0.333474 -0.28818 0.0131369
O O -0.32829 -0.270391 0.0169141
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CA C -0.341384 -0.272726 -0.0157105
CB C -0.349385 -0.279513 -0.031882
C C -0.342948 -0.247402 -0.0100127
O O -0.348484 -0.244428 -0.003201
N N -0.338283 -0.229358 -0.0133546
CA C -0.338388 -0.204362 -0.00742632
CB C -0.328767 -0.198013 0.00578741
OG1 O -0.326376 -0.21551 0.0194109
CG2 C -0.328505 -0.172762 0.0133418
C C -0.341654 -0.187194 -0.02306
O O -0.336094 -0.179075 -0.0285657
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CA C -0.354294 -0.165008 -0.0439049
CB C -0.364593 -0.168 -0.0526244
OG O -0.369429 -0.158421 -0.042791
C C -0.351765 -0.138917 -0.037759
O O -0.350231 -0.132422 -0.022279
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CA C -0.34808 -0.0978844 -0.0446604
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CG C -0.330886 -0.107682 -0.0347373
CD1 C -0.322733 -0.103741 -0.0396156
CD2 C -0.328627 -0.101588 -0.0162611
C C -0.355001 -0.0790373 -0.0550188
O O -0.357302 -0.0623614 -0.0480406
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N N -0.358406 -0.0815734 -0.0719969
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CA C -0.36379 -0.0626168 -0.0834565
CB C -0.358859 -0.0413614 -0.0858764
CB C -0.357111 -0.0456672 -0.0867471
CG C -0.352511 -0.0459409 -0.0947624
CG C -0.3611 -0.0248862 -0.0990133
CD C -0.347636 -0.0221129 -0.0951977
CD C -0.354448 -0.00426933 -0.0973104
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NE N -0.351939 0.00645873 -0.0805244
CZ C -0.345593 -0.00443353 -0.120268
CZ C -0.356365 0.0240287 -0.0759917
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NH1 N -0.363589 0.0356325 -0.0863886
NH2 N -0.342464 -0.00740747 -0.132509
NH2 N -0.353238 0.0303232 -0.0601788
C C -0.370065 -0.0737645 -0.100268
C C -0.370039 -0.0736916 -0.10023
O O -0.368517 -0.0939982 -0.104455
O O -0.368541 -0.0940347 -0.104417
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CG1 C -0.398382 -0.0858792 -0.144557
CD1 C -0.407241 -0.0959687 -0.145236
CG2 C -0.397471 -0.053768 -0.122022
C C -0.383489 -0.0450834 -0.137605
O O -0.383878 -0.0241564 -0.132713
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CA C -0.382917 -0.0306334 -0.164455
CB C -0.372193 -0.031874 -0.162957
CB C -0.37323 -0.0240469 -0.161907
CG C -0.369529 -0.0177706 -0.176081
CG C -0.367832 -0.0444631 -0.164992
CD1 C -0.368926 0.00935969 -0.172214
CD1 C -0.370234 -0.046689 -0.18407
CD2 C -0.360632 -0.0268566 -0.176529
CD2 C -0.358009 -0.0367637 -0.155773
C C -0.388104 -0.0362163 -0.182956
C C -0.388206 -0.0362346 -0.18302
O O -0.388528 -0.0568514 -0.188577
O O -0.388427 -0.0568514 -0.188577
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CA C -0.397214 -0.0184457 -0.211087
CB C -0.405442 -0.00193397 -0.216362
CG C -0.410695 -0.0012954 -0.235914
OD1 O -0.406856 -0.00530929 -0.246003
ND2 N -0.419568 0.00430582 -0.241266
C C -0.390235 -0.00998002 -0.218321
O O -0.387221 0.0109105 -0.215901
N N -0.387447 -0.0266924 -0.226605
CA C -0.380444 -0.0206168 -0.233545
CB C -0.373244 -0.0405221 -0.229704
CG C -0.377157 -0.0646603 -0.237975
OD1 O -0.384189 -0.0654266 -0.251189
ND2 N -0.372589 -0.0846203 -0.230587
C C -0.384519 -0.0140304 -0.252725
O O -0.379519 -0.0117498 -0.260792
N N -0.393607 -0.0116221 -0.26028
CA C -0.398343 -0.00556473 -0.277783
C C -0.400796 -0.0274222 -0.289908
O O -0.405342 -0.0245395 -0.305452
N N -0.397902 -0.0492797 -0.283032
CA C -0.399942 -0.0718488 -0.292789
CB C -0.391163 -0.0821025 -0.29366
CG C -0.386316 -0.0644413 -0.30106
ND1 N -0.389679 -0.0574535 -0.317898
CE1 C -0.383946 -0.0418175 -0.320305
NE2 N -0.376964 -0.0386976 -0.305683
CD2 C -0.378241 -0.0526733 -0.293442
C C -0.40463 -0.0901485 -0.285286
O O -0.410304 -0.104416 -0.294185
N N -0.401701 -0.090404 -0.268052
CA C -0.405696 -0.105201 -0.258231
CB C -0.402068 -0.131054 -0.256374
C C -0.40316 -0.0926481 -0.241099
O O -0.399771 -0.0723232 -0.238846
N N -0.404473 -0.10531 -0.228603
CA C -0.400399 -0.0969539 -0.210677
CB C -0.407859 -0.0888349 -0.204454
CG C -0.413988 -0.108777 -0.203199
CD1 C -0.411591 -0.123208 -0.18836
CE1 C -0.417223 -0.141709 -0.187502
CZ C -0.425397 -0.145942 -0.200972
CE2 C -0.427868 -0.132203 -0.215837
CD2 C -0.422203 -0.113794 -0.2169
C C -0.394116 -0.116586 -0.199563
O O -0.396207 -0.137932 -0.201663
N N -0.386211 -0.108357 -0.187912
CA C -0.379601 -0.125471 -0.176285
CB C -0.370256 -0.120691 -0.176183
CG C -0.36955 -0.126803 -0.193174
OD1 O -0.375805 -0.137002 -0.204672
ND2 N -0.361797 -0.121475 -0.194224
C C -0.378724 -0.121913 -0.157758
O O -0.378361 -0.10157 -0.152124
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CA C -0.375712 -0.143333 -0.131151
CB C -0.381486 -0.160775 -0.126286
CG1 C -0.377382 -0.163092 -0.10635
CG2 C -0.391094 -0.151178 -0.131625
C C -0.365809 -0.150923 -0.124685
O O -0.363599 -0.170919 -0.128078
N N -0.359861 -0.134648 -0.11425
CA C -0.350101 -0.138261 -0.107682
CB C -0.34555 -0.114104 -0.10804
CG C -0.348565 -0.103394 -0.125658
CD C -0.344128 -0.0791833 -0.12571
OE1 O -0.341026 -0.066649 -0.112304
OE2 O -0.344458 -0.0716481 -0.139512
C C -0.346453 -0.14742 -0.0889494
O O -0.350214 -0.140833 -0.0795513
N N -0.339714 -0.163183 -0.0852362
CA C -0.335629 -0.175061 -0.0681685
CB C -0.336802 -0.202647 -0.0706781
CG C -0.346199 -0.21093 -0.0745705
CD1 C -0.352682 -0.209307 -0.0916254
CE1 C -0.361547 -0.216276 -0.0954154
CZ C -0.364344 -0.225472 -0.0832388
CE2 C -0.358072 -0.226986 -0.0663503
CD2 C -0.349146 -0.220016 -0.0622402
C C -0.325557 -0.168803 -0.0599739
O O -0.320767 -0.163183 -0.0674387
N N -0.322169 -0.171649 -0.043047
CA C -0.31252 -0.168073 -0.032535
CB C -0.311093 -0.163329 -0.0139051
CG C -0.301077 -0.161559 -0.0022279
OD1 O -0.295227 -0.166084 -0.0083098
OD2 O -0.299051 -0.155612 0.0130473
C C -0.307832 -0.191737 -0.0340842
O O -0.309233 -0.210857 -0.0278743
N N -0.302271 -0.190259 -0.042394
CA C -0.297654 -0.211423 -0.0456591
CB C -0.299782 -0.21301 -0.0648138
CG C -0.295839 -0.192083 -0.0714079
OD1 O -0.293565 -0.173109 -0.0625603
OD2 O -0.295072 -0.194182 -0.0854795
C C -0.2874 -0.21104 -0.0359408
O O -0.282112 -0.221348 -0.0415106
N N -0.284742 -0.200056 -0.0206272
CA C -0.275002 -0.198396 -0.00906523
CB C -0.27333 -0.176685 0.00330343
OG O -0.278147 -0.179257 0.0145453
C C -0.271386 -0.222224 0.000729828
O O -0.263018 -0.225417 0.00763118
N N -0.277514 -0.238371 0.00149807
CA C -0.275034 -0.261889 0.0105505
CB C -0.275722 -0.260922 0.0282072
CG C -0.270881 -0.23963 0.0396924
CD C -0.272177 -0.23963 0.0564528
OE1 O -0.279167 -0.231182 0.0575028
NE2 N -0.265506 -0.249318 0.0696282
C C -0.281525 -0.281301 0.000230472
O O -0.288497 -0.275536 -0.0116901
N N -0.279489 -0.304327 0.00514721
CA C -0.285825 -0.32456 -0.00253519
CB C -0.28046 -0.348625 0.00102432
CG C -0.273011 -0.349264 -0.00653004
OD1 O -0.273257 -0.335361 -0.0183993
OD2 O -0.266839 -0.36459 -0.0009603
C C -0.294542 -0.326421 0.00202303
O O -0.296991 -0.3464 0.00572339
N N -0.299393 -0.305841 0.000985908
CA C -0.307477 -0.304418 0.00588984
CB C -0.309485 -0.277579 0.00822017
C C -0.316236 -0.315201 -0.00763118
O O -0.322584 -0.322407 -0.00402046
N N -0.316921 -0.313869 -0.0235209
CA C -0.32444 -0.324451 -0.0373877
CB C -0.331449 -0.305221 -0.0458511
C C -0.320561 -0.334942 -0.0496283
O O -0.31755 -0.321258 -0.057746
N N -0.320464 -0.359007 -0.050499
CA C -0.316008 -0.37176 -0.0599483
CB C -0.306321 -0.380992 -0.0488857
CG1 C -0.300171 -0.359919 -0.0400637
CG2 C -0.306429 -0.399876 -0.035864
C C -0.32156 -0.392888 -0.0700891
O O -0.327013 -0.404473 -0.0656205
N N -0.319886 -0.397613 -0.084007
CA C -0.323537 -0.418248 -0.0947624
CB C -0.328321 -0.4096 -0.113047
CG C -0.33504 -0.426276 -0.125697
CD1 C -0.342766 -0.432607 -0.119909
CD2 C -0.33848 -0.414234 -0.142931
C C -0.315395 -0.434614 -0.092829
O O -0.308415 -0.425711 -0.0936228
N N -0.316367 -0.45815 -0.0899097
CA C -0.30949 -0.476724 -0.0885781
CB C -0.30352 -0.482945 -0.0700123
CG C -0.298408 -0.461726 -0.0590136
CD C -0.293032 -0.469736 -0.0404862
CE C -0.284789 -0.484569 -0.0394363
NZ N -0.278714 -0.488273 -0.0213059
C C -0.314264 -0.499749 -0.0976049
O O -0.322611 -0.502358 -0.102483
N N -0.308798 -0.516406 -0.0998712
CA C -0.312209 -0.539778 -0.107362
C C -0.317773 -0.538282 -0.126311
O O -0.316242 -0.523011 -0.135095
N N -0.324194 -0.555104 -0.132419
CA C -0.329141 -0.557786 -0.150639
C C -0.322729 -0.560632 -0.160012
O O -0.316426 -0.575137 -0.154749
N N -0.323976 -0.545963 -0.173405
CA C -0.317686 -0.54631 -0.182086
CB C -0.323306 -0.534651 -0.199205
CG C -0.329074 -0.51637 -0.195133
CD C -0.331487 -0.528631 -0.181497
C C -0.309018 -0.530893 -0.173763
O O -0.303605 -0.529561 -0.180985
N N -0.307823 -0.519307 -0.159218
CA C -0.30091 -0.500843 -0.152252
CB C -0.30442 -0.481121 -0.143622
CG C -0.313583 -0.469316 -0.154467
CD1 C -0.316489 -0.451965 -0.143341
CD2 C -0.312916 -0.45649 -0.169755
C C -0.291996 -0.51055 -0.139231
O O -0.29202 -0.525693 -0.128117
N N -0.284423 -0.500807 -0.139961
CA C -0.275375 -0.504401 -0.126132
CB C -0.267972 -0.507685 -0.133302
CG C -0.258622 -0.514199 -0.119384
C C -0.273184 -0.481796 -0.114762
O O -0.273977 -0.461416 -0.121318
N N -0.270489 -0.485226 -0.097989
CA C -0.268246 -0.465029 -0.086299
C C -0.276466 -0.452622 -0.0848905
O O -0.283887 -0.463332 -0.0882452
N N -0.275004 -0.429487 -0.0797305
CA C -0.281022 -0.415986 -0.0734565
CB C -0.275897 -0.408579 -0.0547371
OG1 O -0.272851 -0.42987 -0.0443787
CG2 C -0.282094 -0.394056 -0.0482583
C C -0.284441 -0.393417 -0.0846729
O O -0.278928 -0.379642 -0.087144
N N -0.293366 -0.389731 -0.0906139
CA C -0.29757 -0.368859 -0.101728
CB C -0.304347 -0.377854 -0.118988
CG C -0.300082 -0.388473 -0.130396
CD1 C -0.295429 -0.41064 -0.126811
CE1 C -0.291712 -0.42042 -0.137976
CZ C -0.292684 -0.408305 -0.152841
OH O -0.289173 -0.41792 -0.163968
CE2 C -0.29735 -0.38621 -0.156798
CD2 C -0.300835 -0.376559 -0.1453
C C -0.302371 -0.352512 -0.0930339
O O -0.308601 -0.36085 -0.0893975
N N -0.299559 -0.329541 -0.0900633
CA C -0.303245 -0.312409 -0.0810365
CB C -0.296112 -0.293562 -0.0714463
CG C -0.288701 -0.30232 -0.0553901
CD C -0.282751 -0.281046 -0.0463761
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CZ C -0.267055 -0.276941 -0.0255568
NH1 N -0.266892 -0.253624 -0.0297693
NH2 N -0.259847 -0.28703 -0.0132906
C C -0.31156 -0.298725 -0.092957
O O -0.311313 -0.28849 -0.106043
N N -0.318807 -0.297521 -0.088911
CA C -0.326856 -0.282852 -0.0982963
CB C -0.334297 -0.288289 -0.091587
CG C -0.343352 -0.27497 -0.0998968
CD1 C -0.348359 -0.281137 -0.118527
CD2 C -0.349603 -0.279459 -0.0906267
C C -0.324648 -0.256178 -0.0968495
O O -0.321209 -0.245541 -0.0831236
N N -0.326891 -0.24379 -0.111523
CA C -0.32551 -0.217772 -0.111945
CB C -0.319161 -0.211186 -0.121318
CG1 C -0.317605 -0.183873 -0.121318
CD1 C -0.309642 -0.176703 -0.126017
CG2 C -0.322775 -0.220181 -0.139948
C C -0.334386 -0.203541 -0.118437
O O -0.334945 -0.183326 -0.112726
N N -0.341469 -0.213813 -0.131382
CA C -0.350316 -0.201279 -0.138104
CB C -0.350352 -0.179841 -0.149935
CG C -0.347333 -0.186865 -0.16448
CD C -0.355001 -0.186847 -0.182239
OE1 O -0.362834 -0.192485 -0.184659
NE2 N -0.352213 -0.181155 -0.194915
C C -0.357845 -0.218557 -0.148296
O O -0.355685 -0.238097 -0.153213
N N -0.366197 -0.211843 -0.151676
CA C -0.373985 -0.224851 -0.164493
CB C -0.378838 -0.243808 -0.157732
CG C -0.384604 -0.233609 -0.148923
CD1 C -0.392718 -0.22248 -0.157156
CE1 C -0.398036 -0.213649 -0.149013
CZ C -0.394928 -0.216294 -0.131036
CE2 C -0.386943 -0.227588 -0.122906
CD2 C -0.381643 -0.236273 -0.130921
C C -0.380498 -0.205767 -0.175927
O O -0.380602 -0.185606 -0.171612
N N -0.385748 -0.214123 -0.19165
CA C -0.392792 -0.198798 -0.204134
CB C -0.388758 -0.182851 -0.214467
CG C -0.384304 -0.197849 -0.223647
ND1 N -0.375456 -0.205183 -0.216311
CE1 C -0.373395 -0.219506 -0.226836
NE2 N -0.380966 -0.222078 -0.241381
CD2 C -0.387748 -0.207975 -0.23987
C C -0.399674 -0.21644 -0.216349
O O -0.398606 -0.238097 -0.215235
N N -0.406867 -0.205147 -0.228026
CA C -0.414371 -0.218758 -0.24069
CB C -0.423325 -0.216276 -0.23795
CG C -0.422699 -0.22372 -0.219973
CD1 C -0.419291 -0.207701 -0.206669
CE1 C -0.41902 -0.214215 -0.190652
CZ C -0.422523 -0.236163 -0.188244
CE2 C -0.426162 -0.252292 -0.201689
CD2 C -0.426312 -0.245724 -0.217758
C C -0.416155 -0.20896 -0.258846
O O -0.413529 -0.189146 -0.260805
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CD1 C -0.412997 -0.0385517 -0.177348
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C C -0.414261 0.0643136 -0.239243
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CE1 C -0.355745 -0.556965 -0.204147
CZ C -0.353138 -0.568277 -0.188168
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CD2 C -0.366931 -0.553426 -0.186106
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CA C -0.358416 -0.515348 -0.258026
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CG2 C -0.347326 -0.548864 -0.240933
C C -0.355392 -0.515932 -0.272943
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CG C -0.36084 -0.467546 -0.31147
CD1 C -0.36752 -0.461653 -0.305196
CE1 C -0.371549 -0.439084 -0.307898
CZ C -0.368854 -0.42135 -0.31672
OH O -0.372784 -0.398599 -0.319703
CE2 C -0.362387 -0.426805 -0.323109
CD2 C -0.358288 -0.449539 -0.320164
C C -0.342049 -0.470794 -0.285427
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CD C -0.333007 -0.490334 -0.300548
C C -0.334439 -0.429141 -0.303032
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CA C -0.33848 -0.318904 -0.305209
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O O -0.427101 -0.213175 -0.383339
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CA C -0.411791 -0.242239 -0.379242
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CD C -0.387623 -0.256123 -0.378627
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CZ C -0.374867 -0.259681 -0.38864
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C C -0.416146 -0.266596 -0.386207
O O -0.416239 -0.282652 -0.376284
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CD C -0.420719 -0.251909 -0.417077
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CD1 C -0.37213 -0.488784 -0.375938
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C C -0.36526 -0.470776 -0.412532
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CD C -0.350377 -0.416935 -0.442788
CE C -0.356251 -0.397358 -0.454542
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OD1 O -0.345629 -0.558333 -0.442826
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CZ C -0.353692 -0.426915 -0.366156
NH1 N -0.350984 -0.415767 -0.351239
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CD1 C -0.386379 -0.51575 -0.349844
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CD C -0.336084 -0.610459 -0.266272
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CD1 C -0.400509 -0.618086 -0.238756
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CZ C -0.412571 -0.609182 -0.26608
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CD2 C -0.412722 -0.646621 -0.251407
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N3 N -0.303208 -0.0458862 -0.303263
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C5 C -0.311161 -0.0799678 -0.294979
C6 C -0.310203 -0.0663206 -0.278897
C7 C -0.314461 -0.081172 -0.268308
O7 O -0.309146 -0.102136 -0.262367
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C13 C -0.319638 -0.115582 -0.249627
C9 C -0.306302 -0.139428 -0.247745
C10 C -0.308586 -0.156305 -0.237386
C11 C -0.316393 -0.153094 -0.234313
C12 C -0.321809 -0.132659 -0.239307
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O17 O -0.33122 -0.170883 -0.215837
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C19 C -0.349535 -0.188872 -0.256234
C20 C -0.355618 -0.207336 -0.261163
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C23 C -0.343948 -0.208887 -0.228385
O O -0.281237 0.0774318 -0.283237
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C8 C -0.267588 0.0285352 -0.303237
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CE2 C -0.255121 0.0569062 -0.331368
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C6 C -0.271359 0.00518158 -0.307526
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C4 C -0.270915 -0.0363258 -0.317027
C3 C -0.279275 -0.041033 -0.315657
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C4 C -0.303889 0.0925386 -0.269767
C3 C -0.297325 0.0829783 -0.275171
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CD C -0.34344 0.0614492 -0.279652
CE C -0.347192 0.0863353 -0.286989
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C9 C -0.296064 0.0065682 -0.364069
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C C -0.291928 0.0420365 -0.344684
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C6 C -0.307662 -0.0214014 -0.362789
C5 C -0.313139 -0.0422554 -0.36832
C4 C -0.319301 -0.0483675 -0.36106
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C7 C -0.298314 0.0938888 -0.324505
C2 C -0.292352 0.0796577 -0.329434
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C9 C -0.310318 0.121037 -0.314479
C8 C -0.301563 0.130361 -0.311073
OB O -0.29886 0.152619 -0.303045
CG C -0.304763 0.16738 -0.297706
CD C -0.300003 0.190478 -0.289089
OE2 O -0.304303 0.204125 -0.282968
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C6 C -0.295586 0.116513 -0.316144
C5 C -0.286843 0.124942 -0.31316
C4 C -0.280929 0.111185 -0.318141
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O1 O -0.338015 -0.017205 -0.278
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O1 O -0.336021 -0.130123 -0.158027
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C C -0.217277 0.00430582 -0.0773234
O O -0.209696 -0.00140487 -0.066632
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C C -0.207907 0.00175152 -0.104647
O O -0.210903 0.0206533 -0.112842
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CG C -0.192254 0.0433319 -0.0816255
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C C -0.185382 -0.00844744 -0.104634
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CA C -0.173291 -0.0143223 -0.114942
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CG C -0.180941 -0.0207081 -0.147105
CD1 C -0.189992 -0.0149974 -0.155825
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CD2 C -0.176291 -0.0130269 -0.157873
CE3 C -0.167279 -0.0143406 -0.15667
CZ3 C -0.165258 -0.0056377 -0.17028
CH2 C -0.172014 0.00432407 -0.184787
CZ2 C -0.180947 0.00540052 -0.186554
C C -0.166508 0.00343006 -0.117118
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C C -0.143125 -0.00441529 -0.115146
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CD1 C -0.128478 -0.0147602 -0.147336
CE1 C -0.134198 -0.0185369 -0.164327
CZ C -0.140964 -0.00158731 -0.172841
OH O -0.146522 -0.00459774 -0.189871
CE2 C -0.141898 0.0191573 -0.164519
CD2 C -0.136246 0.0224961 -0.147092
C C -0.11936 -0.00315638 -0.0890262
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C C -0.1148 -0.0222407 -0.050499
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C C -0.115473 -0.0604274 -0.023585
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CA C -0.129926 -0.0597341 -0.0192572
CB C -0.132709 -0.0444266 -0.00686294
C C -0.138227 -0.0637298 -0.0355055
O O -0.143518 -0.0805517 -0.0362353
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CA C -0.147368 -0.0478931 -0.0643657
CB C -0.1524 -0.0232624 -0.0660046
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OD1 O -0.140746 -0.00308341 -0.0738791
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C C -0.145565 -0.0538957 -0.0804987
O O -0.151801 -0.0511407 -0.0951081
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CG C -0.127306 -0.090331 -0.134032
CD C -0.127335 -0.0787272 -0.117976
C C -0.135429 -0.141727 -0.114673
O O -0.141447 -0.156414 -0.121971
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CE1 C -0.129608 -0.156323 -0.0263506
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CD2 C -0.131147 -0.124139 -0.0426501
C C -0.158363 -0.150193 -0.0927778
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CB C -0.16589 -0.133517 -0.139051
CG C -0.161436 -0.109506 -0.138501
CD1 C -0.16005 -0.0914075 -0.126849
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CE2 C -0.154603 -0.0768479 -0.145684
CD2 C -0.158151 -0.100275 -0.150998
CE3 C -0.157779 -0.109871 -0.166068
CZ3 C -0.153986 -0.095914 -0.175159
CH2 C -0.150812 -0.0725604 -0.170037
CZ2 C -0.150827 -0.0628175 -0.15498
C C -0.173914 -0.161979 -0.126504
O O -0.182163 -0.158713 -0.131792
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CA C -0.175635 -0.206023 -0.125441
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CG C -0.164509 -0.232295 -0.102342
ND1 N -0.156171 -0.22164 -0.0922912
CE1 C -0.15367 -0.228811 -0.0763631
NE2 N -0.160216 -0.242713 -0.0751467
CD2 C -0.167029 -0.245213 -0.0912669
C C -0.182068 -0.207026 -0.11571
O O -0.188874 -0.220016 -0.120908
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CB C -0.181467 -0.179713 -0.0748778
CG C -0.172034 -0.189255 -0.0630597
CG C -0.187853 -0.178491 -0.0653772
C C -0.19535 -0.184475 -0.102355
O O -0.202044 -0.196608 -0.103866
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CG C -0.203488 -0.113064 -0.10384
OD1 O -0.203646 -0.12569 -0.0917022
OD2 O -0.203054 -0.0900208 -0.103264
C C -0.207971 -0.16103 -0.139436
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CA C -0.203457 -0.175955 -0.162636
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CE1 C -0.214828 -0.100785 -0.181638
CZ C -0.209767 -0.0852406 -0.168206
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CD2 C -0.198141 -0.11571 -0.157361
C C -0.199425 -0.201151 -0.163213
O O -0.19213 -0.203395 -0.165018
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CA C -0.199837 -0.244793 -0.159627
CB C -0.206512 -0.26198 -0.156132
CG C -0.21456 -0.247256 -0.157732
CD C -0.212592 -0.220728 -0.158091
C C -0.1981 -0.25366 -0.175287
O O -0.192573 -0.270318 -0.173571
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CD1 C -0.209801 -0.272854 -0.24028
CG2 C -0.204212 -0.207172 -0.220779
C C -0.189951 -0.241308 -0.20142
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C C -0.169969 -0.245742 -0.181138
O O -0.162709 -0.244483 -0.1832
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CA C -0.168831 -0.290114 -0.176234
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CG C -0.162854 -0.291135 -0.143751
CD C -0.161354 -0.307355 -0.128219
CE C -0.156913 -0.293142 -0.111869
NZ N -0.15632 -0.30887 -0.0971311
C C -0.173308 -0.305859 -0.19206
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C C -0.177907 -0.316533 -0.231842
O O -0.169487 -0.314781 -0.226029
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CA C -0.178582 -0.339941 -0.256835
CB C -0.184955 -0.360612 -0.266797
CG C -0.18736 -0.378638 -0.255107
CD C -0.178973 -0.391519 -0.242162
OE1 O -0.172955 -0.398142 -0.247399
OE2 O -0.178106 -0.394274 -0.226797
C C -0.176121 -0.324013 -0.26914
O O -0.171451 -0.332552 -0.276362
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CA C -0.177891 -0.284932 -0.2843
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CD C -0.195516 -0.305604 -0.328282
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CZ C -0.21128 -0.295916 -0.330394
NH1 N -0.212407 -0.317828 -0.324505
NH2 N -0.21811 -0.279641 -0.334761
C C -0.175078 -0.259298 -0.277117
O O -0.178599 -0.241235 -0.285836
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OE1 O -0.172923 -0.203286 -0.221343
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CA C -0.151437 -0.182961 -0.262213
CB C -0.15653 -0.168274 -0.278577
OG O -0.160572 -0.184275 -0.292507
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O O -0.150183 -0.159863 -0.237527
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CA C -0.133663 -0.162162 -0.257322
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CG C -0.124099 -0.138352 -0.234377
CD C -0.133015 -0.140468 -0.23188
C C -0.128494 -0.186683 -0.25261
O O -0.129088 -0.19991 -0.241419
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CA C -0.118011 -0.214196 -0.258987
CB C -0.122543 -0.234649 -0.271995
CG1 C -0.131429 -0.243042 -0.270728
CG2 C -0.124382 -0.226785 -0.290267
C C -0.109025 -0.207227 -0.260318
O O -0.108379 -0.188197 -0.267744
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CA C -0.0939325 -0.221823 -0.256515
CB C -0.0861038 -0.234904 -0.242431
CG C -0.077243 -0.234175 -0.245376
OD1 O -0.0739865 -0.213521 -0.246477
OD2 O -0.0736539 -0.25408 -0.247002
C C -0.095744 -0.234138 -0.273647
O O -0.10007 -0.253569 -0.27745
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CA C -0.0933978 -0.232095 -0.300574
CB C -0.0962954 -0.212007 -0.314453
CG1 C -0.105284 -0.20064 -0.315452
CD1 C -0.107593 -0.176575 -0.32462
CG2 C -0.0970627 -0.222315 -0.331624
C C -0.0842301 -0.242987 -0.298372
O O -0.0776748 -0.229759 -0.296464
N N -0.0839198 -0.267253 -0.298333
CA C -0.0757535 -0.280937 -0.296617
CB C -0.0756326 -0.30544 -0.287642
CG C -0.0671857 -0.321057 -0.285055
OD1 O -0.0625883 -0.317317 -0.293941
OD2 O -0.0652394 -0.337605 -0.274044
C C -0.0761131 -0.284294 -0.31462
O O -0.0819737 -0.297466 -0.32494
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CA C -0.0702764 -0.272471 -0.336054
CB C -0.0643574 -0.252255 -0.339088
OG1 O -0.0550715 -0.255375 -0.32768
CG2 C -0.0677384 -0.227168 -0.336271
C C -0.0678148 -0.297284 -0.341431
O O -0.0699997 -0.301845 -0.356924
N N -0.0634335 -0.313194 -0.328909
CA C -0.0615958 -0.338116 -0.333006
CB C -0.0537651 -0.349702 -0.317936
CG C -0.0448074 -0.336876 -0.313608
ND1 N -0.0390068 -0.341802 -0.321854
CE1 C -0.0316809 -0.32779 -0.315452
NE2 N -0.0325409 -0.313869 -0.303416
CD2 C -0.0406973 -0.31916 -0.302034
C C -0.0700789 -0.354336 -0.338819
O O -0.070459 -0.372216 -0.347616
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CA C -0.0851638 -0.363076 -0.338832
CB C -0.0867084 -0.37187 -0.322942
OG1 O -0.0879494 -0.35138 -0.313698
CG2 C -0.0785474 -0.386575 -0.311368
C C -0.093851 -0.350632 -0.350881
O O -0.100789 -0.362893 -0.357846
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CA C -0.101474 -0.313121 -0.364824
CB C -0.101376 -0.286629 -0.358858
C C -0.10114 -0.314234 -0.382366
O O -0.0968292 -0.298725 -0.386873
N N -0.105784 -0.332479 -0.392225
CA C -0.104485 -0.339631 -0.407718
CB C -0.106621 -0.366816 -0.411469
CG C -0.100474 -0.384112 -0.397718
CD C -0.0907422 -0.385061 -0.397026
CE C -0.0852836 -0.405003 -0.384901
NZ N -0.0752732 -0.402576 -0.380509
C C -0.110201 -0.32467 -0.423531
O O -0.118017 -0.317262 -0.425899
N N -0.106175 -0.320583 -0.434389
CA C -0.110941 -0.309727 -0.451034
CB C -0.104613 -0.309216 -0.460842
CG C -0.10918 -0.301827 -0.47942
CD1 C -0.113312 -0.27893 -0.484145
CE1 C -0.117541 -0.272161 -0.501392
CZ C -0.117461 -0.287943 -0.513876
OH O -0.12141 -0.282542 -0.5312
CE2 C -0.113517 -0.310749 -0.509394
CD2 C -0.109318 -0.317335 -0.492263
C C -0.119603 -0.324214 -0.461341
O O -0.119329 -0.346564 -0.462365
N N -0.127244 -0.311314 -0.468537
CA C -0.135963 -0.322316 -0.479305
CB C -0.143291 -0.317937 -0.472109
CG C -0.152217 -0.331329 -0.482173
OD1 O -0.153738 -0.33943 -0.49677
OD2 O -0.157867 -0.333592 -0.475425
C C -0.138856 -0.310895 -0.497038
O O -0.141978 -0.289931 -0.499586
N N -0.137888 -0.324579 -0.509433
CA C -0.140321 -0.314179 -0.52668
CB C -0.137479 -0.334157 -0.5365
CG C -0.137158 -0.357128 -0.526949
CD C -0.135103 -0.35045 -0.508639
C C -0.1504 -0.307702 -0.536129
O O -0.152555 -0.29389 -0.548549
N N -0.15647 -0.317499 -0.530623
CA C -0.166224 -0.311424 -0.538562
CB C -0.171942 -0.331384 -0.535015
OG O -0.171112 -0.330545 -0.517755
C C -0.168682 -0.286775 -0.532864
O O -0.176308 -0.278127 -0.540598
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CA C -0.16399 -0.251343 -0.513709
CB C -0.156663 -0.244665 -0.496475
CG C -0.15742 -0.256452 -0.480675
CD1 C -0.148909 -0.25023 -0.465361
CD2 C -0.166002 -0.248059 -0.478178
C C -0.164128 -0.231566 -0.526398
O O -0.157702 -0.229559 -0.531251
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CA C -0.172306 -0.196845 -0.543338
CB C -0.182426 -0.191171 -0.553171
CG C -0.1873 -0.212007 -0.565181
CD C -0.197568 -0.210164 -0.571033
CE C -0.202134 -0.22934 -0.584631
NZ N -0.211252 -0.23682 -0.58522
C C -0.167194 -0.174003 -0.53426
O O -0.164294 -0.17216 -0.518754
N N -0.165611 -0.157089 -0.544349
CA C -0.161886 -0.133663 -0.536808
CB C -0.160227 -0.120016 -0.551135
CG C -0.160958 -0.138315 -0.564106
CD C -0.166762 -0.15864 -0.562249
C C -0.168749 -0.120016 -0.531725
O O -0.17721 -0.121895 -0.540175
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CA C -0.170226 -0.091079 -0.511661
CB C -0.164144 -0.0835074 -0.49353
CG C -0.168887 -0.0735091 -0.482967
CD1 C -0.175006 -0.0926481 -0.479894
CD2 C -0.161414 -0.064642 -0.466181
C C -0.173288 -0.0689296 -0.523684
O O -0.167855 -0.0589678 -0.528831
N N -0.181933 -0.0618688 -0.528114
CA C -0.185586 -0.0395916 -0.53723
CB C -0.194444 -0.045722 -0.552761
OG O -0.199287 -0.0246855 -0.56102
C C -0.187547 -0.021146 -0.525553
O O -0.193739 -0.024503 -0.520547
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CA C -0.182897 0.0181355 -0.510483
CB C -0.173516 0.0259444 -0.497666
CG1 C -0.174471 0.0469809 -0.486642
CG2 C -0.168715 0.0045795 -0.486347
C C -0.18729 0.039245 -0.522634
O O -0.183684 0.0475465 -0.532416
N N -0.195275 0.0472545 -0.5228
CA C -0.200334 0.0670504 -0.534605
CB C -0.209543 0.0580556 -0.54732
OG O -0.208423 0.040139 -0.55819
C C -0.20161 0.086682 -0.523031
O O -0.208635 0.0874483 -0.520162
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CA C -0.194918 0.12319 -0.505937
CB C -0.18642 0.122661 -0.4891
CG C -0.185201 0.102026 -0.476514
CD1 C -0.192334 0.0860982 -0.477589
CE1 C -0.190976 0.0677984 -0.465246
CZ C -0.182567 0.0661381 -0.451892
OH O -0.180998 0.0486229 -0.439292
CE2 C -0.175528 0.0817376 -0.450662
CD2 C -0.176884 0.0998184 -0.462416
C C -0.195703 0.148824 -0.513735
O O -0.194685 0.167161 -0.505207
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CA C -0.197701 0.172944 -0.538818
CB C -0.198763 0.167672 -0.557294
CG C -0.191761 0.147693 -0.557768
OD1 O -0.183423 0.152309 -0.551776
OD2 O -0.194729 0.127332 -0.565066
C C -0.204952 0.190916 -0.538024
O O -0.203789 0.212846 -0.539164
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CA C -0.219658 0.197137 -0.535041
CB C -0.229077 0.189073 -0.548715
CG C -0.229563 0.187175 -0.566807
CD C -0.229017 0.211332 -0.575028
OE1 O -0.230342 0.231073 -0.569087
NE2 N -0.227163 0.209927 -0.589176
C C -0.220204 0.19701 -0.51755
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CA C -0.212853 0.188088 -0.487231
CB C -0.203662 0.179294 -0.474695
C C -0.214855 0.213138 -0.481123
O O -0.211258 0.232204 -0.484081
N N -0.220181 0.212755 -0.472224
CA C -0.222742 0.234631 -0.465592
CB C -0.233143 0.240725 -0.47572
OG1 O -0.235034 0.242257 -0.493569
CG2 C -0.235891 0.264315 -0.470048
C C -0.220443 0.232113 -0.446527
O O -0.225838 0.221604 -0.441226
N N -0.212646 0.243115 -0.436348
CA C -0.209922 0.24264 -0.417602
CB C -0.199656 0.247621 -0.408524
OG O -0.19736 0.27185 -0.410829
C C -0.215665 0.261506 -0.412955
O O -0.218742 0.279951 -0.421418
N N -0.216983 0.256488 -0.398742
CA C -0.222732 0.272288 -0.392686
CB C -0.230908 0.258003 -0.392161
CG C -0.237336 0.247384 -0.409254
CD1 C -0.244237 0.230325 -0.406706
CD2 C -0.242109 0.267344 -0.421969
C C -0.217723 0.283837 -0.375388
O O -0.218023 0.305932 -0.373301
N N -0.213164 0.268731 -0.362584
CA C -0.209289 0.276795 -0.344825
CB C -0.216518 0.278674 -0.337577
CG C -0.220689 0.25585 -0.334863
CD C -0.227847 0.262235 -0.327578
NE N -0.229477 0.241327 -0.318359
CZ C -0.229379 0.241527 -0.302597
NH1 N -0.227871 0.261779 -0.29325
NH2 N -0.231055 0.220746 -0.296285
C C -0.201488 0.260411 -0.334658
O O -0.20033 0.240597 -0.340279
N N -0.196007 0.269862 -0.319921
CA C -0.188423 0.255758 -0.307936
CB C -0.179225 0.265519 -0.306745
CG1 C -0.171512 0.248515 -0.296643
CD1 C -0.162423 0.254992 -0.296681
CG2 C -0.177517 0.291774 -0.300062
C C -0.189629 0.256981 -0.290894
O O -0.191866 0.276229 -0.285926
N N -0.188072 0.236218 -0.281893
N N -0.188214 0.236346 -0.282059
CA C -0.190238 0.233481 -0.266477
CA C -0.189255 0.236455 -0.265683
CB C -0.199164 0.219159 -0.271445
CB C -0.198848 0.22923 -0.268269
CG C -0.202137 0.20896 -0.257348
CG C -0.201128 0.203432 -0.275068
CD1 C -0.20585 0.229394 -0.249947
CD1 C -0.199041 0.185497 -0.26051
CD2 C -0.209262 0.188982 -0.263878
CD2 C -0.211171 0.203085 -0.286054
C C -0.182878 0.21894 -0.252713
C C -0.182665 0.219798 -0.252777
O O -0.179857 0.200476 -0.256631
O O -0.179928 0.201078 -0.256976
N N -0.180405 0.227241 -0.236772
CA C -0.174522 0.213211 -0.221919
CB C -0.168457 0.23058 -0.208321
CG C -0.162482 0.217718 -0.191894
OD1 O -0.164684 0.197958 -0.187822
ND2 N -0.154774 0.22923 -0.182483
C C -0.181078 0.199071 -0.215837
O O -0.186201 0.210164 -0.210319
N N -0.181104 0.174897 -0.217335
CA C -0.187356 0.15968 -0.212406
CB C -0.19196 0.140414 -0.226311
CG C -0.185164 0.122278 -0.228116
OD1 O -0.177708 0.118136 -0.215901
ND2 N -0.187633 0.111222 -0.243276
C C -0.182929 0.148788 -0.194506
O O -0.187055 0.133207 -0.189832
N N -0.174465 0.156487 -0.184941
CA C -0.169587 0.14742 -0.16754
C C -0.164141 0.12454 -0.166887
O O -0.159317 0.116002 -0.152585
N N -0.164848 0.114141 -0.181753
CA C -0.15972 0.0926299 -0.182483
CB C -0.166138 0.0705717 -0.188974
CG C -0.17176 0.0652989 -0.178552
ND1 N -0.168061 0.0556655 -0.162227
CE1 C -0.174604 0.0530747 -0.156324
NE2 N -0.182391 0.0604274 -0.168283
CD2 C -0.180811 0.0681633 -0.182265
C C -0.154076 0.0973553 -0.193379
O O -0.146687 0.087503 -0.190331
N N -0.158116 0.11144 -0.207118
CA C -0.153653 0.119924 -0.218667
CB C -0.154093 0.100384 -0.231355
C C -0.158578 0.142968 -0.227143
O O -0.164163 0.152857 -0.222277
N N -0.157055 0.150959 -0.240818
CA C -0.16298 0.170135 -0.251816
CB C -0.158058 0.194163 -0.251317
CG C -0.150372 0.192831 -0.25745
CD1 C -0.141456 0.188252 -0.246247
CE1 C -0.134392 0.187048 -0.251944
CZ C -0.13623 0.191153 -0.269204
CE2 C -0.145036 0.195824 -0.280331
CD2 C -0.152095 0.196827 -0.274825
C C -0.167495 0.160592 -0.270382
O O -0.163107 0.14793 -0.276438
N N -0.176319 0.165847 -0.278244
CA C -0.181298 0.158002 -0.296195
CB C -0.190066 0.145632 -0.297987
CG C -0.188638 0.121731 -0.288384
OD1 O -0.181089 0.112699 -0.281637
ND2 N -0.195992 0.111076 -0.288423
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CD1 C -0.196239 0.0766108 -0.411047
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C C -0.221809 0.0785265 -0.425835
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CG1 C -0.233896 0.0846021 -0.382225
CD1 C -0.2409 0.0710095 -0.377731
CG2 C -0.223746 0.0492433 -0.380881
C C -0.217154 0.101935 -0.385964
O O -0.21946 0.122187 -0.382455
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CG C -0.203913 0.0817741 -0.341124
CD C -0.195719 0.0737463 -0.325298
OE1 O -0.187969 0.0800956 -0.322917
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CA C -0.176057 0.100548 -0.345836
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CD1 C -0.160067 0.141271 -0.343237
CE1 C -0.15712 0.164369 -0.344312
CZ C -0.160954 0.177688 -0.359677
CE2 C -0.167883 0.166869 -0.373339
CD2 C -0.170788 0.143424 -0.372456
C C -0.171628 0.110127 -0.327347
O O -0.174143 0.129102 -0.322866
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CG C -0.165115 0.067616 -0.287962
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C C -0.150106 0.0895465 -0.295427
O O -0.148676 0.0748592 -0.305222
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CA C -0.134872 0.0836351 -0.272968
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CG C -0.128557 0.117224 -0.287053
CD1 C -0.134254 0.136637 -0.291637
CE1 C -0.135271 0.150321 -0.306387
CZ C -0.129711 0.144829 -0.314914
CE2 C -0.123909 0.125635 -0.310369
CD2 C -0.123082 0.11186 -0.2959
C C -0.132763 0.0717941 -0.255158
O O -0.137284 0.0775777 -0.246912
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CA C -0.121426 0.0469444 -0.233302
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CG C -0.132692 0.011914 -0.239652
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CE1 C -0.146019 0.0023901 -0.238782
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C C -0.111489 0.0529105 -0.228897
O O -0.107649 0.0503562 -0.238948
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CA C -0.0972465 0.067397 -0.207092
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CD2 C -0.109576 0.119468 -0.20923
CE3 C -0.117427 0.114944 -0.223942
CZ3 C -0.125244 0.125836 -0.225581
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CZ2 C -0.118332 0.147985 -0.199128
C C -0.0917343 0.0631459 -0.187873
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CG C -0.0331792 0.0668679 -0.106645
CD1 C -0.027758 0.0440252 -0.0981171
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C C -0.0436831 0.07745 -0.15562
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CE C -0.0612906 -0.262673 -0.203788
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CA C -0.0638194 -0.0160921 -0.244377
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CD1 C -0.0703427 -0.0536221 -0.278103
CE1 C -0.0677779 -0.0678532 -0.288961
CZ C -0.0622857 -0.0579644 -0.296656
OH O -0.0598478 -0.0717029 -0.307731
CE2 C -0.0593179 -0.0340817 -0.29348
CD2 C -0.0619063 -0.0200877 -0.282584
C C -0.0657513 0.00368549 -0.233353
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C C -0.0753846 0.0515969 -0.229512
O O -0.0775488 0.0617228 -0.218667
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C C -0.0965182 0.0330964 -0.264736
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CG C -0.128125 0.309727 -0.146145
CD C -0.122236 0.329432 -0.134378
CE C -0.125981 0.336693 -0.121395
NZ N -0.118777 0.349027 -0.106491
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O O -0.141449 0.264151 -0.158744
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CA C -0.15704 0.273292 -0.152176
CB C -0.15817 0.288599 -0.137758
OG1 O -0.163552 0.309764 -0.144724
CG2 C -0.1488 0.296463 -0.124263
C C -0.165881 0.26052 -0.162009
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CD C -0.184677 0.169368 -0.144058
CE C -0.186183 0.180936 -0.129141
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C C -0.184485 0.240159 -0.169179
O O -0.186127 0.255667 -0.160293
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CA C -0.190062 0.300003 -0.211932
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CG C -0.179482 0.325582 -0.18617
CD C -0.172099 0.345068 -0.181842
CE C -0.175474 0.368385 -0.192329
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C C -0.191632 0.292212 -0.230152
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CA C -0.19778 0.304418 -0.260293
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CA C -0.19619 0.347677 -0.293532
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C C -0.200476 0.342003 -0.312277
O O -0.200219 0.321076 -0.31768
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CA C -0.207206 0.35846 -0.341022
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CG C -0.219662 0.390242 -0.347859
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OD2 O -0.221627 0.41241 -0.349293
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CD1 C -0.172136 0.315109 -0.343198
CE1 C -0.163604 0.309745 -0.343006
CZ C -0.162176 0.288125 -0.350036
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CD2 C -0.177677 0.277251 -0.356911
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CB C -0.192787 0.347859 -0.449305
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OD1 O -0.20912 0.35003 -0.46403
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ND2 N -0.202246 0.385334 -0.451392
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OD1 O -0.167335 0.206004 -0.474324
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CA C -0.163995 0.167343 -0.429561
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CG C -0.179775 0.158768 -0.444414
CD C -0.178621 0.185606 -0.446053
C C -0.158295 0.154718 -0.43805
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CA C -0.153703 0.151087 -0.462096
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CD C -0.169829 0.162727 -0.50983
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CZ C -0.170561 0.204417 -0.520944
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CD2 C -0.12615 0.172342 -0.369485
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CG C -0.144072 0.0814639 -0.445874
CD1 C -0.150424 0.0782893 -0.46458
CD2 C -0.145906 0.0622155 -0.434619
C C -0.11752 0.0825221 -0.427884
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CA C -0.105315 0.0558297 -0.427999
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CD C -0.116578 0.0385699 -0.418409
C C -0.107819 0.051159 -0.446988
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CA C -0.102721 0.0469079 -0.470381
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CG C -0.0950074 0.0483493 -0.492275
CD C -0.0895713 0.065682 -0.498869
OE1 O -0.0849524 0.0824127 -0.48901
OE2 O -0.0899759 0.0622884 -0.513978
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C C -0.112773 -0.0292102 -0.463902
O O -0.111649 -0.0243023 -0.449152
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CA C -0.127038 -0.0513049 -0.469215
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CG C -0.138826 -0.0172598 -0.484324
CD1 C -0.148518 -0.0135378 -0.497333
CD2 C -0.13722 -0.00414162 -0.467576
C C -0.126121 -0.0788002 -0.466091
O O -0.132635 -0.0903857 -0.465874
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CB C -0.106559 -0.121968 -0.454888
CG C -0.10505 -0.124467 -0.471623
OD1 O -0.11165 -0.125526 -0.486104
OD2 O -0.0969749 -0.125471 -0.470227
C C -0.117691 -0.117753 -0.441008
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CA C -0.125059 -0.140906 -0.425707
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CG C -0.142001 -0.145102 -0.445605
CD1 C -0.146234 -0.1653 -0.442186
CE1 C -0.152642 -0.178655 -0.455157
CZ C -0.154939 -0.172032 -0.471955
OH O -0.161222 -0.185533 -0.48499
CE2 C -0.150848 -0.151762 -0.475848
CD2 C -0.144366 -0.138516 -0.462673
C C -0.124646 -0.166996 -0.419651
O O -0.124434 -0.184238 -0.428934
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CA C -0.127084 -0.191609 -0.397654
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CG C -0.110782 -0.199454 -0.376642
CD1 C -0.106773 -0.220345 -0.379229
NE1 N -0.0975098 -0.216714 -0.374671
CE2 C -0.0953845 -0.193452 -0.368589
CD2 C -0.10361 -0.181903 -0.36992
CE3 C -0.103238 -0.157801 -0.364184
CZ3 C -0.0947463 -0.146015 -0.357718
CH2 C -0.0867892 -0.157819 -0.356924
CZ2 C -0.0869531 -0.181465 -0.362264
C C -0.136789 -0.18942 -0.39782
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CA C -0.15054 -0.209562 -0.398819
CB C -0.158138 -0.207135 -0.416821
OG1 O -0.166901 -0.204672 -0.41572
CG2 C -0.158217 -0.228409 -0.42855
C C -0.151999 -0.231784 -0.389408
O O -0.14845 -0.251836 -0.390099
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CA C -0.159511 -0.247457 -0.371086
CB C -0.151475 -0.254208 -0.354594
CG C -0.149605 -0.235689 -0.340471
CD1 C -0.144774 -0.214506 -0.340202
CE1 C -0.143251 -0.197301 -0.327642
CZ C -0.146859 -0.200622 -0.315183
OH O -0.145666 -0.183964 -0.302482
CE2 C -0.151521 -0.221731 -0.315183
CD2 C -0.152987 -0.238791 -0.327898
C C -0.16793 -0.239028 -0.367923
O O -0.16951 -0.21697 -0.367641
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CA C -0.180783 -0.250175 -0.36033
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CG C -0.180155 -0.293069 -0.363454
CD C -0.172702 -0.282579 -0.367936
C C -0.177735 -0.245049 -0.341483
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O O -0.192901 -0.205347 -0.322392
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CA C -0.185999 -0.173419 -0.294735
CB C -0.184217 -0.184895 -0.277258
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C C -0.183728 -0.146106 -0.292738
O O -0.176705 -0.137969 -0.29366
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CD2 C -0.203278 -0.0807706 -0.304428
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OG1 O -0.155352 -0.0622337 -0.249319
CG2 C -0.153256 -0.101369 -0.261381
C C -0.16394 -0.0838175 -0.229281
O O -0.157234 -0.0833614 -0.215261
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CB C -0.17506 -0.0349209 -0.21955
OG1 O -0.182355 -0.0297211 -0.235504
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C C -0.182642 -0.0734544 -0.217553
O O -0.188498 -0.0821025 -0.230933
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CA C -0.192554 -0.0797854 -0.20261
CB C -0.19173 -0.0712285 -0.184864
CG C -0.181648 -0.0754248 -0.17375
CD C -0.177194 -0.0657732 -0.185466
C C -0.200363 -0.0671963 -0.217092
O O -0.199656 -0.0450104 -0.219525
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CA C -0.210117 -0.104526 -0.222316
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CG C -0.222496 -0.0871564 -0.24553
CD C -0.215345 -0.0678714 -0.240037
C C -0.206391 -0.126383 -0.229256
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CD1 C -0.178909 -0.154572 -0.190869
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C C -0.200644 -0.159808 -0.252802
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CD1 C -0.235682 -0.121275 -0.288333
CD2 C -0.233187 -0.161596 -0.272712
C C -0.2105 -0.175955 -0.289793
O O -0.205363 -0.163603 -0.294633
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CA C -0.209207 -0.212481 -0.305619
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CG C -0.200889 -0.241126 -0.281355
CD C -0.198976 -0.266596 -0.273711
OE1 O -0.205019 -0.282798 -0.279575
OE2 O -0.191376 -0.26999 -0.261496
C C -0.215117 -0.208851 -0.324325
O O -0.219659 -0.225818 -0.333352
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CA C -0.220813 -0.178746 -0.347513
CB C -0.227307 -0.159534 -0.345618
SG S -0.221891 -0.13244 -0.334248
C C -0.215564 -0.167872 -0.357334
O O -0.219773 -0.156177 -0.370394
N N -0.206514 -0.171321 -0.351521
CA C -0.200859 -0.157217 -0.35864
CB C -0.193073 -0.14315 -0.344428
CG1 C -0.187512 -0.128153 -0.352187
CG2 C -0.196842 -0.127314 -0.334005
C C -0.196362 -0.173273 -0.367833
O O -0.191656 -0.190624 -0.360023
N N -0.197541 -0.166741 -0.383608
CA C -0.191687 -0.175024 -0.392174
CB C -0.196567 -0.176155 -0.411354
OG1 O -0.20416 -0.192631 -0.415784
CG2 C -0.189957 -0.18422 -0.419677
C C -0.183648 -0.156907 -0.386681
O O -0.185004 -0.135889 -0.392122
N N -0.175546 -0.165154 -0.376066
CA C -0.167436 -0.150138 -0.370381
CB C -0.160411 -0.158586 -0.352865
CG C -0.162458 -0.148058 -0.339012
CD1 C -0.167307 -0.158531 -0.330279
NE1 N -0.168268 -0.142329 -0.319037
CE2 C -0.163952 -0.121037 -0.319857
CD2 C -0.160298 -0.12403 -0.33252
CE3 C -0.15564 -0.104635 -0.336015
CZ3 C -0.15453 -0.0834709 -0.326643
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CZ2 C -0.162992 -0.0995082 -0.310753
C C -0.163203 -0.150412 -0.383441
O O -0.162438 -0.169934 -0.390202
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CA C -0.155823 -0.125927 -0.39896
CB C -0.161837 -0.113466 -0.415605
CG1 C -0.17038 -0.129266 -0.424786
CD1 C -0.177794 -0.117096 -0.439549
CG2 C -0.156402 -0.109762 -0.426898
C C -0.147564 -0.11009 -0.388678
O O -0.148595 -0.0884882 -0.385951
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CA C -0.131146 -0.108758 -0.371316
CB C -0.126129 -0.123136 -0.355017
CG1 C -0.117187 -0.110255 -0.344172
CG2 C -0.132233 -0.12569 -0.344914
C C -0.125139 -0.105347 -0.381674
O O -0.122804 -0.122971 -0.38791
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CB C -0.118501 -0.0514691 -0.400355
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CD1 C -0.127747 -0.0178619 -0.418499
CD2 C -0.132769 -0.0607923 -0.425823
C C -0.107499 -0.0837263 -0.384543
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CG C -0.0803164 -0.11903 -0.391508
CD C -0.076722 -0.138644 -0.399485
CE C -0.066305 -0.137494 -0.391751
NZ N -0.0622225 -0.155411 -0.399805
C C -0.0875992 -0.0769939 -0.381226
O O -0.0807627 -0.076629 -0.367859
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CA C -0.0841455 -0.0371833 -0.389549
CB C -0.0854263 -0.0248314 -0.406399
CG C -0.0781718 -0.00554648 -0.404248
CD C -0.0786943 0.00682363 -0.420599
OE1 O -0.0854336 0.00430582 -0.43435
OE2 O -0.0721398 0.0201607 -0.419305
C C -0.0864277 -0.018993 -0.378269
O O -0.0941582 -0.0103997 -0.383121
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CA C -0.0813276 0.00738923 -0.353723
CB C -0.0728565 0.007298 -0.336924
CG C -0.0679773 -0.015636 -0.337001
CD C -0.0702984 -0.0219305 -0.355106
C C -0.0820131 0.0320382 -0.362443
O O -0.0787476 0.0349392 -0.373416
N N -0.0861448 0.049444 -0.357129
CA C -0.0848146 0.0750782 -0.360023
CB C -0.0935799 0.0906412 -0.364914
CG1 C -0.0976188 0.0906047 -0.351188
CD1 C -0.104722 0.109981 -0.35389
CG2 C -0.100769 0.0820113 -0.382033
C C -0.0772756 0.0851312 -0.344108
O O -0.0754833 0.0756985 -0.329997
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N N -0.0731981 0.104872 -0.346694
CA C -0.065286 0.115801 -0.331931
CA C -0.0666621 0.117589 -0.332738
CB C -0.0574849 0.125343 -0.336835
CB C -0.0602929 0.132641 -0.338474
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OG O -0.0645483 0.155192 -0.34462
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C C -0.0713925 0.134338 -0.324313
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O O -0.0795066 0.140614 -0.331175
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CG1 C -0.0697389 0.132386 -0.27704
CG2 C -0.0771657 0.172251 -0.280331
C C -0.0601235 0.172142 -0.28832
O O -0.0535721 0.158494 -0.280971
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OG O -0.0561736 0.247202 -0.270779
C C -0.0503165 0.201443 -0.25471
O O -0.0571748 0.197648 -0.251343
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CA C -0.0404239 0.198962 -0.224621
CB C -0.0302665 0.198706 -0.213507
OG O -0.026 0.220655 -0.214659
C C -0.0456699 0.218976 -0.219486
O O -0.0495049 0.214196 -0.209806
N N -0.0461247 0.240998 -0.226631
CA C -0.051084 0.261195 -0.222854
CB C -0.0484096 0.285644 -0.228116
CG C -0.0389926 0.294602 -0.216042
CD C -0.0380249 0.299054 -0.197566
OE1 O -0.0435919 0.313029 -0.194992
OE2 O -0.0316789 0.288818 -0.185658
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O O -0.0661495 0.265045 -0.222559
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CA C -0.0747776 0.24264 -0.253481
CB C -0.0773844 0.233645 -0.271688
CG C -0.0777037 0.253514 -0.284492
CD C -0.0799214 0.244118 -0.302584
OE1 O -0.0766013 0.224979 -0.305055
NE2 N -0.0854268 0.257893 -0.315119
C C -0.0778303 0.224687 -0.242789
O O -0.0844596 0.229157 -0.23932
N N -0.07285 0.204709 -0.237373
CA C -0.0754747 0.186938 -0.227233
CB C -0.0714948 0.161195 -0.227668
CG1 C -0.0611489 0.160319 -0.218295
CG2 C -0.0760344 0.14211 -0.220242
C C -0.0735838 0.196845 -0.20932
O O -0.078748 0.191791 -0.202111
N N -0.0665932 0.212244 -0.202406
CA C -0.0648653 0.224012 -0.185709
CB C -0.0563135 0.239593 -0.180754
CG C -0.0513336 0.250175 -0.163533
CD1 C -0.0484965 0.229613 -0.150434
CD2 C -0.0429668 0.263804 -0.163622
C C -0.0730958 0.239119 -0.186516
O O -0.0754328 0.239867 -0.17425
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CA C -0.0862851 0.26364 -0.203648
CB C -0.0895638 0.278254 -0.220318
CG C -0.0834794 0.300258 -0.219166
CD C -0.086268 0.321568 -0.210856
CE C -0.0949833 0.333719 -0.223071
NZ N -0.0986176 0.349811 -0.212969
C C -0.0939579 0.247585 -0.202546
O O -0.0990289 0.255631 -0.195466
N N -0.0946966 0.225253 -0.208564
CA C -0.101494 0.208832 -0.207706
CB C -0.100723 0.183764 -0.214928
CG C -0.104443 0.18172 -0.234864
CD1 C -0.106409 0.201388 -0.245453
CE1 C -0.10955 0.197885 -0.263225
CZ C -0.110399 0.175261 -0.269319
CE2 C -0.108214 0.155502 -0.258922
CD2 C -0.105205 0.159206 -0.24133
C C -0.0996254 0.204271 -0.188104
O O -0.105891 0.202027 -0.184429
N N -0.0908825 0.202884 -0.177463
CA C -0.0880164 0.196791 -0.159282
CB C -0.0779662 0.190314 -0.15247
CG C -0.0757066 0.168055 -0.160626
CD C -0.0657724 0.160556 -0.151356
NE N -0.0630048 0.142585 -0.160652
CZ C -0.0563698 0.14523 -0.166657
NH1 N -0.0506432 0.164442 -0.162508
NH2 N -0.0552663 0.128025 -0.176964
C C -0.0896865 0.217462 -0.149461
O O -0.0883419 0.213467 -0.133827
N N -0.0922833 0.239064 -0.156606
CA C -0.0947283 0.259334 -0.147822
CB C -0.0927631 0.28402 -0.154109
CG C -0.0830081 0.287268 -0.153059
CD C -0.0756275 0.286665 -0.135287
CE C -0.0663026 0.279915 -0.13571
NZ N -0.0651357 0.253186 -0.138693
C C -0.104525 0.258513 -0.149256
O O -0.107242 0.271814 -0.140601
N N -0.11019 0.24306 -0.16046
CA C -0.119462 0.23994 -0.161702
CB C -0.124957 0.224414 -0.177604
CG C -0.126407 0.235452 -0.195184
CD1 C -0.129482 0.215273 -0.208577
CD2 C -0.133516 0.254901 -0.198065
C C -0.119665 0.228701 -0.145236
O O -0.112849 0.218228 -0.135261
N N -0.127539 0.230653 -0.143277
CA C -0.128823 0.220837 -0.128078
CB C -0.132022 0.241527 -0.119436
CG C -0.124575 0.25928 -0.108821
OD1 O -0.12667 0.273784 -0.0993462
ND2 N -0.116477 0.258605 -0.109052
C C -0.136455 0.201808 -0.133584
O O -0.143759 0.205639 -0.146132
N N -0.13521 0.181738 -0.124199
CA C -0.142611 0.164935 -0.126145
CB C -0.139337 0.141563 -0.115659
CG C -0.133808 0.124102 -0.12174
CD1 C -0.137508 0.113137 -0.137707
CE1 C -0.132652 0.0956768 -0.142688
CZ C -0.124001 0.0888896 -0.131638
CE2 C -0.120298 0.0998002 -0.115659
CD2 C -0.125151 0.117005 -0.110998
C C -0.149756 0.17652 -0.120319
O O -0.157838 0.170828 -0.126235
N N -0.146284 0.190916 -0.106619
CA C -0.152099 0.201972 -0.0988981
CB C -0.145908 0.210547 -0.0808188
CG C -0.138507 0.22799 -0.0813438
OD1 O -0.131777 0.219962 -0.0839302
ND2 N -0.140012 0.251763 -0.0804859
C C -0.157623 0.223684 -0.107989
O O -0.155654 0.235288 -0.118616
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CA C -0.16979 0.251781 -0.108847
C C -0.165012 0.274314 -0.099103
O O -0.158151 0.27258 -0.0846729
N N -0.168644 0.295569 -0.105556
CA C -0.164833 0.318594 -0.0978994
CB C -0.169638 0.340616 -0.108207
CG C -0.164739 0.365009 -0.101689
CD C -0.154 0.365192 -0.0952618
OE1 O -0.149827 0.354208 -0.103303
OE2 O -0.149508 0.376559 -0.0820224
C C -0.165719 0.319634 -0.0803195
O O -0.172657 0.312519 -0.078066
N N -0.158309 0.327534 -0.0676819
CA C -0.157877 0.33038 -0.0499996
C C -0.154996 0.307118 -0.0397692
O O -0.153154 0.307921 -0.0238923
N N -0.154266 0.286483 -0.0467602
CA C -0.151186 0.263586 -0.0381303
CB C -0.156384 0.242184 -0.0492954
CG C -0.166622 0.243808 -0.0545194
CD C -0.172012 0.224687 -0.0679252
OE1 O -0.167883 0.210547 -0.0745961
OE2 O -0.180485 0.223848 -0.0716768
C C -0.140984 0.261104 -0.0326246
O O -0.136726 0.275773 -0.0376053
N N -0.136635 0.243407 -0.0209601
CA C -0.12692 0.239703 -0.0159282
CB C -0.125019 0.218265 -0.00314978
CG C -0.132808 0.219049 0.00297053
CD C -0.140663 0.225052 -0.0132265
C C -0.124365 0.233609 -0.0311649
O O -0.129141 0.218593 -0.0417538
N N -0.116916 0.244191 -0.0315491
CA C -0.114008 0.239283 -0.0458383
CB C -0.105844 0.255065 -0.0439817
CG C -0.10237 0.251945 -0.0583094
CD C -0.0931823 0.264735 -0.0541481
OE1 O -0.086021 0.254627 -0.0440586
OE2 O -0.0930626 0.285078 -0.0605245
C C -0.111461 0.212682 -0.0455566
O O -0.106044 0.202538 -0.0328679
N N -0.115406 0.201242 -0.060755
CA C -0.112666 0.177122 -0.0636871
CB C -0.119875 0.157692 -0.0650699
CG C -0.119129 0.146872 -0.0483351
CD C -0.110153 0.132313 -0.0401661
OE1 O -0.106482 0.122606 -0.0496027
OE2 O -0.106526 0.131546 -0.0244941
C C -0.111798 0.179841 -0.0809597
O O -0.118875 0.181793 -0.0945191
N N -0.103421 0.18068 -0.0805756
CA C -0.102092 0.184293 -0.0968367
CB C -0.0919677 0.188252 -0.0935716
CG C -0.087581 0.211405 -0.0834949
CD1 C -0.0773108 0.211113 -0.0784245
CD2 C -0.0916773 0.234266 -0.0939045
C C -0.105911 0.162818 -0.10868
O O -0.10498 0.141216 -0.103776
N N -0.110304 0.169186 -0.125287
CA C -0.114598 0.151288 -0.138424
CB C -0.122272 0.163092 -0.153648
CG C -0.127625 0.144427 -0.167003
SD S -0.136919 0.157126 -0.185223
CE C -0.145379 0.161669 -0.176004
C C -0.107172 0.14076 -0.143405
O O -0.105292 0.150211 -0.155108
N N -0.103033 0.121183 -0.134647
CA C -0.0958982 0.107682 -0.137349
CB C -0.0861847 0.115582 -0.125364
CG1 C -0.0842834 0.142074 -0.12836
CG2 C -0.084462 0.111568 -0.106465
C C -0.0971234 0.0808071 -0.134801
O O -0.101132 0.0741112 -0.125594
N N -0.0936841 0.0653353 -0.142918
CA C -0.0943204 0.0387159 -0.141484
CB C -0.0878542 0.0293927 -0.12393
CG C -0.078008 0.0331877 -0.120883
OD1 O -0.0754009 0.0280061 -0.13297
OD2 O -0.07248 0.0408506 -0.106529
C C -0.103993 0.0299583 -0.146222
O O -0.106317 0.0142311 -0.138501
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CA C -0.119515 0.032987 -0.167758
CB C -0.125707 0.0552276 -0.1748
CG C -0.124043 0.0676525 -0.189499
OD1 O -0.117093 0.0636751 -0.191817
ND2 N -0.130296 0.0834526 -0.19818
C C -0.1214 0.0124796 -0.180792
O O -0.127891 0.0138662 -0.195261
N N -0.115651 -0.00613032 -0.176349
CA C -0.116166 -0.027258 -0.18699
CB C -0.108005 -0.0295022 -0.192316
CG C -0.0987051 -0.0270026 -0.177515
CD1 C -0.0943566 -0.00609383 -0.17046
NE1 N -0.0859771 -0.0110382 -0.1574
CE2 C -0.0846981 -0.0357055 -0.156606
CD2 C -0.0925956 -0.0464883 -0.168949
CE3 C -0.0928867 -0.0718671 -0.170908
CZ3 C -0.0856828 -0.0855691 -0.160063
CH2 C -0.0779123 -0.0741477 -0.147694
CZ2 C -0.077382 -0.0496264 -0.145492
C C -0.117176 -0.0502285 -0.178334
O O -0.112703 -0.0533484 -0.16256
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CA C -0.123312 -0.0913162 -0.182086
CB C -0.132952 -0.101278 -0.191061
CG C -0.134823 -0.126128 -0.185415
CD C -0.143583 -0.138023 -0.197694
NE N -0.146796 -0.156725 -0.189307
CZ C -0.153328 -0.172561 -0.196682
NH1 N -0.157738 -0.17351 -0.213891
NH2 N -0.155438 -0.188088 -0.186798
C C -0.116432 -0.107591 -0.185197
O O -0.115315 -0.106003 -0.198552
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CB C -0.0989325 -0.148679 -0.158449
CG C -0.104499 -0.145632 -0.148155
CD C -0.111264 -0.125708 -0.155594
C C -0.109278 -0.159589 -0.188565
O O -0.117416 -0.16446 -0.192982
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C C -0.111158 -0.212007 -0.198616
O O -0.107433 -0.219159 -0.183993
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CA C -0.123992 -0.240579 -0.206004
CB C -0.134046 -0.233244 -0.212802
CG C -0.135562 -0.209489 -0.205133
CD C -0.132433 -0.210438 -0.185863
OE1 O -0.135303 -0.226202 -0.178987
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C C -0.122828 -0.264443 -0.214096
O O -0.120231 -0.264826 -0.225927
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CA C -0.124148 -0.308541 -0.215299
CB C -0.127019 -0.326969 -0.204493
CG C -0.126033 -0.313595 -0.188859
CD C -0.128022 -0.287432 -0.193699
C C -0.129968 -0.311661 -0.234211
O O -0.138032 -0.306735 -0.23964
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CA C -0.13048 -0.324633 -0.261829
CB C -0.123697 -0.330016 -0.270228
CG C -0.127485 -0.328921 -0.28955
CD1 C -0.131778 -0.304436 -0.296579
CD2 C -0.119837 -0.33454 -0.295683
C C -0.137648 -0.344922 -0.265849
O O -0.144656 -0.343699 -0.279102
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CA C -0.141664 -0.384057 -0.256835
CB C -0.150074 -0.376595 -0.253506
CG C -0.147032 -0.367637 -0.235145
CD C -0.154007 -0.370082 -0.227156
CE C -0.149941 -0.361123 -0.208654
NZ N -0.157102 -0.358387 -0.201599
C C -0.143381 -0.396336 -0.273967
O O -0.136762 -0.39993 -0.277821
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CA C -0.152763 -0.417354 -0.299844
CB C -0.161078 -0.434213 -0.304261
C C -0.152879 -0.402631 -0.315478
O O -0.154192 -0.412592 -0.32928
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CA C -0.153064 -0.362692 -0.327475
CB C -0.154354 -0.336803 -0.322469
CG C -0.162989 -0.334011 -0.319101
CD C -0.163547 -0.308851 -0.312648
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CZ C -0.155846 -0.283619 -0.287194
NH1 N -0.16063 -0.264242 -0.294799
NH2 N -0.14995 -0.28152 -0.27115
C C -0.145674 -0.363294 -0.334645
O O -0.137656 -0.367801 -0.32535
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CA C -0.142616 -0.354318 -0.360381
CB C -0.146013 -0.368403 -0.377385
C C -0.142184 -0.327425 -0.364056
O O -0.14932 -0.315292 -0.371098
N N -0.133798 -0.318339 -0.3596
CA C -0.132131 -0.294547 -0.365593
CB C -0.124357 -0.280645 -0.351956
CG1 C -0.126168 -0.278163 -0.335554
CD1 C -0.118143 -0.268274 -0.320523
CG2 C -0.123483 -0.255321 -0.358461
C C -0.130003 -0.298379 -0.381585
O O -0.123616 -0.311789 -0.380983
N N -0.13537 -0.286611 -0.395708
CA C -0.134496 -0.289238 -0.41225
CB C -0.143894 -0.294274 -0.426309
CG C -0.148508 -0.316824 -0.422263
CD C -0.156841 -0.326932 -0.436591
CE C -0.165 -0.309818 -0.442698
NZ N -0.173952 -0.322918 -0.450752
C C -0.130348 -0.265574 -0.41581
O O -0.132758 -0.245505 -0.412225
N N -0.124131 -0.268183 -0.422647
CA C -0.11984 -0.247566 -0.42759
CB C -0.109522 -0.251197 -0.421277
C C -0.123856 -0.244574 -0.446668
O O -0.125404 -0.262692 -0.456027
N N -0.125311 -0.22164 -0.452557
CA C -0.128851 -0.21551 -0.470675
CB C -0.133629 -0.190788 -0.473402
OG O -0.127225 -0.171521 -0.46878
C C -0.121453 -0.214853 -0.477961
O O -0.123557 -0.210128 -0.49312
N N -0.112895 -0.219287 -0.467269
CA C -0.104946 -0.214452 -0.471456
CB C -0.100571 -0.189912 -0.463722
CG C -0.0973364 -0.189219 -0.44458
CD1 C -0.103324 -0.183472 -0.436937
CE1 C -0.100481 -0.183453 -0.419293
CZ C -0.0915169 -0.189547 -0.408985
CE2 C -0.085386 -0.195294 -0.416424
CD2 C -0.0882519 -0.195057 -0.434056
C C -0.0979378 -0.234923 -0.464273
O O -0.0977834 -0.247493 -0.45184
N N -0.0920797 -0.237915 -0.471904
CA C -0.0848112 -0.256251 -0.46636
CB C -0.0828704 -0.265063 -0.481674
CG C -0.0912792 -0.275007 -0.496065
C C -0.076052 -0.245742 -0.452865
O O -0.0710658 -0.258678 -0.440983
OXT O -0.0736907 -0.224231 -0.453633
ZN Zn -0.157929 -0.00567419 -0.277604
O1 O -0.248802 -0.103887 -0.196029
C2 C -0.25093 -0.0823032 -0.197425
N3 N -0.246632 -0.0627081 -0.200716
C4 C -0.23735 -0.0650434 -0.200127
C5 C -0.236567 -0.0586394 -0.216439
C6 C -0.239752 -0.0325491 -0.221061
C7 C -0.235607 -0.0232989 -0.233635
O7 O -0.238398 -0.0385517 -0.248308
C8 C -0.235343 -0.0332789 -0.261125
C13 C -0.229006 -0.0143406 -0.260152
C9 C -0.238674 -0.0479661 -0.27567
C10 C -0.235677 -0.0442441 -0.288858
C11 C -0.229564 -0.0257255 -0.287872
C12 C -0.226032 -0.0107281 -0.273698
C14 C -0.219692 0.00841095 -0.272648
N15 N -0.211199 -0.00062033 -0.273532
C16 C -0.209755 -0.00087576 -0.288564
O17 O -0.215739 0.00749869 -0.3022
C18 C -0.201123 -0.0103449 -0.288589
C19 C -0.194099 -0.0211824 -0.27407
C20 C -0.186021 -0.0299218 -0.275043
C21 C -0.184556 -0.0279878 -0.290036
S24 S -0.17445 -0.0388618 -0.290305
O27 O -0.173374 -0.0271668 -0.305324
O25 O -0.175223 -0.0657185 -0.29051
N26 N -0.166903 -0.0308158 -0.273801
C22 C -0.191243 -0.0174787 -0.304812
C23 C -0.199247 -0.0085934 -0.303852
O O -0.281843 -0.00220764 -0.173136
C C -0.275942 -0.0154718 -0.174672
C10 C -0.277804 -0.0403579 -0.179115
N11 N -0.272127 -0.0534031 -0.184173
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#END
