
#######################################################################
#
#                 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   'P 21'
_symmetry_Int_Tables_number      4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
_cell_length_a                   44.07
_cell_length_b                   84.87
_cell_length_c                   77.22
_cell_angle_alpha                90
_cell_angle_beta                 97.81
_cell_angle_gamma                90
_cell_volume                     286141
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N N 0.413063 0.263291 0.951334
CA C 0.428566 0.254866 0.937727
C C 0.426111 0.264163 0.920551
O O 0.403894 0.27293 0.916251
CB C 0.415463 0.238252 0.934158
OG O 0.389344 0.238606 0.921571
N N 0.448579 0.261535 0.910944
CA C 0.455033 0.271504 0.896592
C C 0.442452 0.264116 0.879299
O O 0.447522 0.250318 0.876293
CB C 0.490176 0.273448 0.897429
CG C 0.504355 0.281343 0.913807
ND1 N 0.511738 0.273507 0.92957
CD2 C 0.509911 0.296873 0.917414
CE1 C 0.521706 0.28377 0.941988
NE2 N 0.520904 0.298027 0.934903
N N 0.427343 0.273837 0.867875
CA C 0.41294 0.268747 0.850935
C C 0.414406 0.282509 0.838413
O O 0.412958 0.295942 0.843197
CB C 0.379284 0.264705 0.851484
CG C 0.374997 0.249976 0.861405
ND1 N 0.383271 0.235377 0.855745
CD2 C 0.364296 0.247561 0.876881
CE1 C 0.377711 0.224549 0.867274
NE2 N 0.366075 0.231618 0.880162
N N 0.416565 0.278809 0.822414
CA C 0.413544 0.291146 0.809252
C C 0.397324 0.282969 0.793161
O O 0.397858 0.268487 0.791593
CB C 0.444886 0.298063 0.806128
CG C 0.465483 0.28661 0.799239
CD1 C 0.485897 0.277054 0.808546
CD2 C 0.467193 0.283369 0.781358
NE1 N 0.500521 0.267804 0.797632
CE2 C 0.489212 0.271469 0.780822
CE3 C 0.452008 0.289296 0.765516
CZ2 C 0.497001 0.265483 0.765216
CZ3 C 0.460425 0.283087 0.749975
CH2 C 0.48197 0.271362 0.750119
N N 0.385198 0.292749 0.781018
CA C 0.371308 0.287211 0.763948
C C 0.363887 0.300408 0.751648
O O 0.380791 0.312191 0.752118
N N 0.338698 0.298675 0.740106
CA C 0.330379 0.310176 0.7268
C C 0.297861 0.316986 0.72727
O O 0.28681 0.325776 0.715258
CB C 0.333306 0.302328 0.70888
CG C 0.366561 0.298322 0.706553
CD1 C 0.385326 0.310117 0.700736
CD2 C 0.379233 0.283475 0.710121
CE1 C 0.415922 0.306782 0.69858
CE2 C 0.409308 0.279988 0.707873
CZ C 0.427817 0.291888 0.702318
OH O 0.457247 0.289072 0.699364
N N 0.284514 0.313487 0.741165
CA C 0.253328 0.319673 0.743701
C C 0.253549 0.336782 0.749491
O O 0.277649 0.344323 0.752929
N N 0.226285 0.342921 0.75106
CA C 0.222148 0.359193 0.756654
C C 0.239483 0.362634 0.774757
O O 0.251026 0.375677 0.777777
CB C 0.187901 0.362669 0.756719
CG C 0.180528 0.379907 0.75949
CD C 0.146426 0.382783 0.758837
CE C 0.134814 0.376172 0.774967
NZ N 0.101741 0.379625 0.774914
N N 0.241856 0.350957 0.786534
CA C 0.254871 0.35349 0.804795
C C 0.288572 0.347928 0.809291
O O 0.305398 0.353761 0.821826
CB C 0.234351 0.345831 0.817055
CG C 0.203687 0.353572 0.816545
ND1 N 0.176639 0.346055 0.810441
CD2 C 0.19593 0.368183 0.821512
CE1 C 0.153473 0.355705 0.811591
NE2 N 0.164561 0.36922 0.818232
N N 0.298678 0.336994 0.799226
CA C 0.329761 0.330973 0.802834
C C 0.349412 0.333647 0.788064
O O 0.374742 0.327096 0.789044
CB C 0.329125 0.313275 0.808167
CG C 0.314205 0.302399 0.793344
OD1 O 0.305611 0.307254 0.778404
ND2 N 0.312435 0.287364 0.797632
N N 0.337961 0.343663 0.775516
CA C 0.350248 0.345996 0.759072
C C 0.376721 0.357814 0.760092
O O 0.386753 0.364 0.774208
N N 0.387504 0.361361 0.744956
CA C 0.415017 0.371011 0.744433
C C 0.415876 0.386518 0.753569
O O 0.440964 0.391608 0.761634
CB C 0.415605 0.373274 0.724695
CG C 0.401599 0.358627 0.717049
CD C 0.378088 0.35336 0.728185
N N 0.389474 0.394353 0.753138
N N 0.389474 0.394353 0.753138
CA C 0.387949 0.409589 0.76217
CA C 0.387949 0.409589 0.76217
C C 0.39552 0.408269 0.782247
C C 0.39552 0.408269 0.782247
O O 0.403957 0.419923 0.791096
O O 0.403957 0.419923 0.791096
CB C 0.356273 0.417448 0.756837
CB C 0.356273 0.417448 0.756837
CG C 0.32913 0.408941 0.763203
CG C 0.32913 0.408941 0.763203
CD C 0.314692 0.39532 0.751452
OE1 O 0.329532 0.387684 0.740969
OE2 O 0.287326 0.391749 0.752497
N N 0.393035 0.393976 0.789253
CA C 0.399232 0.391148 0.808324
C C 0.428937 0.382429 0.814624
O O 0.436969 0.380108 0.830727
CB C 0.372436 0.382028 0.81367
CG C 0.3436 0.391313 0.811304
ND1 N 0.315461 0.384515 0.806245
CD2 C 0.338541 0.406997 0.812546
CE1 C 0.294109 0.395532 0.805004
NE2 N 0.307536 0.409283 0.808507
N N 0.444719 0.376997 0.802376
CA C 0.472709 0.367971 0.80767
C C 0.496811 0.376726 0.819983
O O 0.51417 0.369244 0.831041
CB C 0.486252 0.362457 0.791645
CG C 0.467312 0.350379 0.780522
CD1 C 0.442447 0.342544 0.784351
CD2 C 0.472796 0.34503 0.763908
NE1 N 0.432194 0.332104 0.770928
CE2 C 0.450036 0.333789 0.758092
CE3 C 0.493881 0.349095 0.752589
CZ2 C 0.448931 0.326071 0.742015
CZ3 C 0.492722 0.341295 0.737048
CH2 C 0.470965 0.329665 0.732107
N N 0.497932 0.392374 0.818401
N N 0.49791 0.392386 0.818401
CA C 0.520459 0.401824 0.829433
CA C 0.52032 0.40193 0.82942
C C 0.518581 0.40021 0.848805
C C 0.518536 0.400245 0.848805
O O 0.540911 0.403686 0.859392
O O 0.540908 0.403686 0.859379
CB C 0.51693 0.419062 0.824427
CB C 0.516435 0.419216 0.824349
CG C 0.490032 0.426662 0.830584
CG C 0.487832 0.426391 0.829159
ND1 N 0.461369 0.427016 0.820846
ND1 N 0.487074 0.434145 0.844753
CD2 C 0.487535 0.434204 0.845733
CD2 C 0.458931 0.426969 0.820519
CE1 C 0.442424 0.434628 0.829812
CE1 C 0.458867 0.438999 0.845694
NE2 N 0.457667 0.438881 0.84504
NE2 N 0.441426 0.435005 0.831054
N N 0.492389 0.395025 0.853732
CA C 0.488822 0.39354 0.872202
C C 0.511038 0.38131 0.881835
O O 0.527367 0.384998 0.895429
CB C 0.455985 0.389699 0.874476
CG C 0.43354 0.402802 0.868267
CD C 0.401657 0.400045 0.873117
CE C 0.378178 0.411097 0.862947
NZ N 0.347363 0.403756 0.859706
N N 0.511049 0.367217 0.874541
CA C 0.532793 0.354904 0.881051
C C 0.563355 0.355151 0.873888
O O 0.585592 0.348199 0.882083
CB C 0.518705 0.338749 0.877535
CG C 0.492747 0.334708 0.888593
OD1 O 0.486229 0.343745 0.899912
OD2 O 0.479668 0.321511 0.88522
N N 0.564756 0.362834 0.858712
CA C 0.591608 0.362964 0.849406
C C 0.598074 0.379601 0.844543
O O 0.589688 0.384656 0.829525
CB C 0.586525 0.352701 0.833015
CG C 0.57784 0.335992 0.836753
CD1 C 0.600213 0.325223 0.842282
CD2 C 0.547764 0.331668 0.835851
CE1 C 0.592551 0.310023 0.846504
CE2 C 0.539577 0.31648 0.840256
CZ C 0.561821 0.305651 0.845811
N N 0.612111 0.388615 0.857275
CA C 0.616107 0.405276 0.853667
C C 0.633778 0.409389 0.838871
O O 0.631225 0.422479 0.832152
CB C 0.632373 0.411863 0.871378
CG C 0.638278 0.398348 0.883312
CD C 0.620211 0.384621 0.875953
N N 0.652402 0.398348 0.833891
CA C 0.669265 0.400551 0.819133
C C 0.648018 0.402578 0.801945
O O 0.658363 0.407409 0.78907
CB C 0.692796 0.386883 0.817709
CG1 C 0.717819 0.392456 0.806821
CG2 C 0.676373 0.372095 0.810389
CD1 C 0.744053 0.381369 0.807121
N N 0.618796 0.399067 0.802246
CA C 0.595444 0.40246 0.787083
C C 0.596317 0.419498 0.780456
O O 0.585816 0.422232 0.76532
CB C 0.563988 0.399373 0.791724
N N 0.605735 0.430315 0.792181
CA C 0.609777 0.446741 0.788194
C C 0.643047 0.450983 0.787449
O O 0.651372 0.464769 0.788966
CB C 0.596125 0.457192 0.801854
CG C 0.561578 0.455189 0.800664
CD C 0.547289 0.466996 0.812415
CE C 0.513117 0.465157 0.811082
NZ N 0.497852 0.474855 0.823591
N N 0.662166 0.439529 0.784456
CA C 0.694509 0.441851 0.782966
C C 0.700975 0.450417 0.766379
O O 0.680721 0.454294 0.754693
N N 0.730342 0.451678 0.765255
CA C 0.742273 0.459879 0.751321
C C 0.743965 0.450158 0.734982
O O 0.747839 0.456792 0.721519
CB C 0.773998 0.46676 0.758484
CG C 0.772385 0.477966 0.773725
CD C 0.752536 0.492423 0.768313
OE1 O 0.758341 0.500318 0.755621
OE2 O 0.730105 0.495133 0.776078
N N 0.741999 0.434533 0.736067
CA C 0.74619 0.424471 0.721075
C C 0.72091 0.412299 0.718395
O O 0.72757 0.398065 0.716539
CB C 0.777561 0.416576 0.723127
CG C 0.80372 0.428465 0.726735
CD C 0.834135 0.420995 0.723911
NE N 0.841514 0.406655 0.734224
CZ C 0.855752 0.406066 0.750851
NH1 N 0.863294 0.419239 0.759752
NH2 N 0.862573 0.392056 0.758915
N N 0.692368 0.417472 0.717363
CA C 0.667513 0.405418 0.715232
C C 0.656125 0.401588 0.695992
O O 0.656354 0.411604 0.684659
CB C 0.640812 0.411062 0.724408
CG C 0.648934 0.411663 0.744224
CD C 0.650406 0.395084 0.75136
OE1 O 0.626775 0.387272 0.750367
NE2 N 0.678423 0.389522 0.757909
N N 0.643136 0.387508 0.69309
CA C 0.631206 0.381451 0.675862
C C 0.598083 0.375701 0.676267
O O 0.588669 0.371707 0.690005
CB C 0.650578 0.3673 0.671261
OG O 0.680543 0.372461 0.670268
N N 0.579813 0.375418 0.661288
CA C 0.588845 0.37979 0.643851
C C 0.586614 0.397346 0.640675
O O 0.58102 0.406172 0.651968
CB C 0.563957 0.371612 0.63129
CG C 0.536584 0.373792 0.640597
CD C 0.548117 0.370764 0.659968
N N 0.592134 0.402001 0.624977
CA C 0.591449 0.418615 0.619526
C C 0.575837 0.419345 0.60056
O O 0.57379 0.407562 0.590914
CB C 0.622817 0.425979 0.620611
CG1 C 0.638506 0.425849 0.639525
CG2 C 0.644041 0.418379 0.609017
N N 0.565322 0.433379 0.595279
CA C 0.554806 0.436501 0.577032
C C 0.582719 0.440484 0.567896
O O 0.601607 0.450134 0.574797
CB C 0.532964 0.450971 0.575072
CG C 0.522845 0.454635 0.556302
OD1 O 0.511441 0.444148 0.546237
OD2 O 0.528153 0.468315 0.551243
N N 0.585038 0.433249 0.55276
CA C 0.609572 0.436242 0.542773
C C 0.5972 0.447754 0.528264
O O 0.576259 0.443995 0.517128
CB C 0.619453 0.420971 0.534525
CG1 C 0.62957 0.409176 0.54957
CG2 C 0.643942 0.423693 0.522827
CD1 C 0.632329 0.392551 0.542956
N N 0.608414 0.462247 0.529715
CA C 0.600652 0.474596 0.516461
C C 0.622309 0.473111 0.502776
O O 0.650035 0.476563 0.506292
CB C 0.603824 0.49022 0.525781
CG C 0.594639 0.50403 0.513886
OD1 O 0.595451 0.502922 0.497665
OD2 O 0.58567 0.516178 0.521389
N N 0.610371 0.468091 0.486947
CA C 0.63101 0.464863 0.473562
C C 0.644593 0.479497 0.466661
O O 0.665123 0.47846 0.457681
CB C 0.614532 0.455719 0.458295
OG1 O 0.590675 0.465169 0.449773
CG2 C 0.601288 0.440201 0.464805
N N 0.632067 0.493048 0.470282
CA C 0.64535 0.507942 0.466412
C C 0.670974 0.514234 0.4793
O O 0.684331 0.526512 0.475549
CB C 0.61983 0.520219 0.462439
CG C 0.596571 0.515459 0.447473
ND1 N 0.569921 0.507824 0.449904
CD2 C 0.597324 0.515824 0.430049
CE1 C 0.554523 0.504242 0.434598
NE2 N 0.570343 0.509226 0.422324
N N 0.675773 0.507706 0.495169
CA C 0.700876 0.51302 0.507874
C C 0.724005 0.499776 0.513716
O O 0.749421 0.50357 0.521062
CB C 0.689591 0.520113 0.524709
OG1 O 0.674385 0.508012 0.533179
CG2 C 0.668283 0.534135 0.520513
N N 0.715302 0.484929 0.511377
CA C 0.737343 0.472439 0.515795
C C 0.759108 0.472651 0.501992
O O 0.750492 0.467703 0.487248
CB C 0.722375 0.456544 0.51535
N N 0.787302 0.477153 0.506998
CA C 0.807905 0.478802 0.49394
C C 0.829818 0.46471 0.492293
O O 0.842009 0.456945 0.50509
CB C 0.825249 0.494615 0.495404
CG C 0.805316 0.509532 0.495169
CD C 0.78761 0.512454 0.476843
CE C 0.766199 0.526924 0.475641
NZ N 0.744714 0.526912 0.458884
N N 0.836492 0.462353 0.476294
CA C 0.861006 0.451984 0.472321
C C 0.890945 0.455142 0.484084
O O 0.900372 0.468527 0.486607
CB C 0.867031 0.454317 0.453407
CG C 0.893162 0.444573 0.448414
CD1 C 0.893974 0.428265 0.450584
CD2 C 0.916222 0.451572 0.440336
CE1 C 0.917444 0.419463 0.445564
CE2 C 0.94005 0.442699 0.435487
CZ C 0.940546 0.426768 0.43814
OH O 0.964257 0.418414 0.433278
N N 0.904786 0.442628 0.491613
CA C 0.933501 0.443312 0.502619
C C 0.956043 0.432295 0.495129
O O 0.954569 0.418438 0.497613
CB C 0.929366 0.439011 0.52118
CG C 0.959108 0.439553 0.533833
OD1 O 0.983323 0.442664 0.528225
OD2 O 0.958489 0.436018 0.549243
N N 0.977891 0.43894 0.486633
CA C 0.998131 0.428253 0.478529
C C 1.0225 0.420276 0.491182
O O 1.03944 0.410508 0.485548
CB C 1.01262 0.439011 0.465733
CG C 1.01348 0.454894 0.474373
CD C 0.984032 0.45559 0.482503
N N 1.025 0.424176 0.507978
CA C 1.04623 0.415551 0.520722
C C 1.03238 0.399797 0.524971
O O 1.04865 0.389735 0.533349
CB C 1.05401 0.424871 0.53748
OG O 1.02925 0.425213 0.547492
N N 1.00226 0.397747 0.52037
CA C 0.989175 0.38217 0.523258
C C 1.00381 0.36935 0.512697
O O 1.00922 0.371718 0.497561
CB C 0.953905 0.382205 0.519507
CG C 0.937964 0.391903 0.532133
CD1 C 0.904678 0.394471 0.524422
CD2 C 0.939749 0.383725 0.549544
N N 1.01075 0.355941 0.521232
CA C 1.02183 0.341789 0.513089
C C 0.996196 0.33168 0.503286
O O 0.969313 0.33307 0.505978
CB C 1.04036 0.332045 0.52714
CG C 1.06743 0.3408 0.537035
CD C 1.0722 0.337053 0.55672
CE C 1.06686 0.320203 0.561935
NZ N 1.08395 0.315867 0.579176
N N 1.00389 0.321452 0.491378
CA C 0.980254 0.311236 0.482359
C C 0.968632 0.300337 0.495875
O O 0.986741 0.29573 0.508462
CB C 0.997309 0.301857 0.46955
CG C 1.02552 0.311319 0.467863
CD C 1.03367 0.319932 0.484764
N N 0.938981 0.297426 0.493613
CA C 0.923901 0.287635 0.505756
C C 0.927613 0.270526 0.500476
O O 0.920178 0.266378 0.485352
CB C 0.889689 0.290946 0.505116
CG C 0.87304 0.283782 0.519245
CD1 C 0.885914 0.290168 0.537388
CD2 C 0.838824 0.286916 0.515442
N N 0.937858 0.26031 0.513102
CA C 0.94112 0.243814 0.509364
C C 0.918555 0.234081 0.518945
O O 0.920361 0.234234 0.534918
CB C 0.974698 0.239702 0.515063
OG O 0.978853 0.223453 0.515167
N N 0.89736 0.226163 0.508932
CA C 0.875967 0.215193 0.515625
C C 0.885802 0.198673 0.511377
O O 0.881766 0.194172 0.496332
CB C 0.84351 0.217856 0.507011
CG1 C 0.82159 0.205625 0.513298
CG2 C 0.833257 0.234529 0.510357
N N 0.898879 0.18973 0.524461
CA C 0.908588 0.173634 0.522069
C C 0.889224 0.162134 0.530513
O O 0.897142 0.158128 0.54595
CB C 0.942316 0.171018 0.529349
OG O 0.960212 0.182024 0.522173
N N 0.865358 0.156078 0.520147
CA C 0.843732 0.145555 0.526526
C C 0.842266 0.129224 0.518461
O O 0.821573 0.120422 0.520945
CB C 0.811876 0.152613 0.522722
CG C 0.803904 0.166682 0.533271
CD1 C 0.823786 0.173057 0.548159
CD2 C 0.775534 0.173846 0.529336
CE1 C 0.814348 0.185618 0.557792
CE2 C 0.767175 0.186065 0.539022
CZ C 0.785774 0.191898 0.55357
OH O 0.77528 0.204588 0.562484
N N 0.865289 0.124959 0.510135
CA C 0.865283 0.109841 0.500959
C C 0.864349 0.0956897 0.512762
O O 0.85007 0.0837182 0.507116
CB C 0.892998 0.108627 0.490803
CG C 0.89018 0.119409 0.474582
OD1 O 0.867002 0.128246 0.470726
OD2 O 0.911969 0.119338 0.465837
N N 0.878515 0.0965499 0.528996
CA C 0.877529 0.0836357 0.541244
C C 0.856064 0.0856978 0.554877
O O 0.859445 0.0776146 0.568314
CB C 0.909896 0.0810435 0.550341
CG C 0.931667 0.0761182 0.537898
CD C 0.961285 0.0703092 0.548028
OE1 O 0.962176 0.0573361 0.555295
NE2 N 0.985238 0.079983 0.54923
N N 0.8342 0.0967031 0.552158
CA C 0.813667 0.100073 0.565033
C C 0.79775 0.0854267 0.569752
O O 0.787375 0.0759061 0.558772
CB C 0.79021 0.112481 0.558576
N N 0.797263 0.0832469 0.58677
CA C 0.783945 0.0691191 0.593829
C C 0.759252 0.0745275 0.604194
O O 0.764287 0.0784394 0.620101
CB C 0.809073 0.0596455 0.605305
OG1 O 0.832107 0.0559928 0.594639
CG2 C 0.795861 0.044905 0.612429
N N 0.73074 0.0746807 0.595567
CA C 0.704728 0.0776618 0.605253
C C 0.698202 0.0639817 0.617017
O O 0.705303 0.0503723 0.613291
CB C 0.675036 0.0815266 0.593005
OG O 0.665687 0.0686478 0.582614
N N 0.68857 0.0677169 0.631931
CA C 0.68131 0.0558161 0.644518
C C 0.648327 0.054461 0.647511
O O 0.636085 0.0414762 0.647655
CB C 0.700924 0.0589739 0.662281
CG C 0.735295 0.0587265 0.661876
CD1 C 0.752975 0.0639228 0.679143
CD2 C 0.74544 0.0424424 0.657118
N N 0.633749 0.0678583 0.650805
CA C 0.603192 0.0667507 0.65589
C C 0.586331 0.0821393 0.65121
O O 0.599907 0.0940873 0.647524
CB C 0.60477 0.0634515 0.675575
CG C 0.617919 0.0770373 0.687247
CD C 0.623932 0.0726068 0.70688
NE N 0.650078 0.0621553 0.70986
CZ C 0.679792 0.0661262 0.711049
NH1 N 0.689378 0.0808903 0.708997
NH2 N 0.700788 0.0546142 0.713271
N N 0.556649 0.0810906 0.651393
CA C 0.536829 0.0949592 0.64925
C C 0.518988 0.0954776 0.664569
O O 0.507607 0.0836475 0.670046
CB C 0.515723 0.095077 0.631225
CG1 C 0.50003 0.110961 0.627356
CG2 C 0.492647 0.0815737 0.629891
CD1 C 0.484733 0.112304 0.608756
N N 0.513801 0.109876 0.671091
CA C 0.497576 0.110972 0.685953
C C 0.479684 0.12629 0.686476
O O 0.487918 0.138002 0.679888
CB C 0.519229 0.110136 0.702658
CG C 0.544646 0.122249 0.705625
CD1 C 0.536656 0.135952 0.717049
CD2 C 0.574815 0.114425 0.713494
N N 0.455285 0.124923 0.694266
CA C 0.435715 0.138521 0.697272
C C 0.445513 0.143611 0.71565
O O 0.441904 0.135116 0.727937
CB C 0.401949 0.133384 0.694214
CG C 0.380145 0.146604 0.696893
OD1 O 0.388071 0.157456 0.707023
ND2 N 0.35197 0.145119 0.688633
N N 0.456861 0.158081 0.717755
CA C 0.468233 0.164102 0.735309
C C 0.445534 0.17552 0.742707
O O 0.453886 0.182919 0.756249
CB C 0.500245 0.171784 0.734904
CG C 0.499923 0.18649 0.724499
OD1 O 0.476946 0.194243 0.72063
ND2 N 0.52661 0.190142 0.718983
N N 0.417461 0.176769 0.733924
CA C 0.394623 0.187244 0.739309
C C 0.395878 0.203669 0.733048
O O 0.376136 0.212895 0.736381
N N 0.418654 0.207616 0.72416
CA C 0.421746 0.223677 0.716657
C C 0.424243 0.222345 0.696933
O O 0.415241 0.233386 0.687522
CB C 0.448815 0.232549 0.725989
CG C 0.445617 0.235731 0.744773
ND1 N 0.463677 0.228413 0.758392
CD2 C 0.425918 0.245134 0.752001
CE1 C 0.454961 0.233021 0.773346
NE2 N 0.432341 0.243272 0.76983
N N 0.437844 0.209549 0.691443
CA C 0.440945 0.206144 0.673209
C C 0.448984 0.188493 0.672281
O O 0.446928 0.180103 0.68509
CB C 0.465556 0.216395 0.666974
N N 0.457129 0.183179 0.657694
CA C 0.471287 0.167307 0.657497
C C 0.503846 0.168803 0.652818
O O 0.509339 0.178383 0.641485
CB C 0.451767 0.15603 0.644988
CG C 0.447914 0.160814 0.626519
CD1 C 0.467694 0.155571 0.615723
CD2 C 0.423202 0.169699 0.619173
CE1 C 0.464639 0.159966 0.59822
CE2 C 0.419946 0.174141 0.601684
CZ C 0.440401 0.16918 0.591149
N N 0.524892 0.158823 0.660778
CA C 0.556348 0.159 0.658229
C C 0.564777 0.143505 0.650648
O O 0.555787 0.131062 0.656635
CB C 0.577293 0.16085 0.675483
CG C 0.574274 0.176839 0.684058
OD1 O 0.559646 0.187043 0.676751
ND2 N 0.589322 0.178512 0.699704
N N 0.580549 0.144507 0.637695
CA C 0.596525 0.130886 0.631604
C C 0.630611 0.131934 0.639721
O O 0.646083 0.143776 0.637133
CB C 0.594323 0.130874 0.611775
CG1 C 0.614368 0.117806 0.605998
CG2 C 0.561673 0.128435 0.604063
N N 0.640994 0.120116 0.650544
CA C 0.671176 0.120575 0.660948
C C 0.693477 0.110713 0.652544
O O 0.684512 0.0990832 0.644335
CB C 0.669826 0.114625 0.679483
CG C 0.651208 0.125571 0.689443
CD C 0.651712 0.120399 0.708527
OE1 O 0.654054 0.106118 0.712356
OE2 O 0.648009 0.130756 0.719179
N N 0.722069 0.116051 0.654073
CA C 0.746658 0.108734 0.645368
C C 0.773654 0.103325 0.658778
O O 0.77736 0.109016 0.673392
CB C 0.758453 0.12034 0.632767
CG C 0.736173 0.122685 0.616481
CD1 C 0.71174 0.133018 0.617265
CD2 C 0.741247 0.116192 0.601384
CE1 C 0.690914 0.135269 0.602416
CE2 C 0.720249 0.11803 0.586195
CZ C 0.69553 0.127657 0.58711
N N 0.790637 0.0915775 0.653864
CA C 0.819655 0.0868171 0.664046
C C 0.843216 0.100014 0.662268
O O 0.852151 0.103054 0.64776
CB C 0.83024 0.0717467 0.656373
CG C 0.861695 0.066515 0.664399
OD1 O 0.876265 0.0738912 0.676607
OD2 O 0.870575 0.0542254 0.658046
N N 0.852089 0.108227 0.676947
CA C 0.873981 0.121459 0.678071
C C 0.90533 0.116722 0.689182
O O 0.921286 0.127091 0.69692
CB C 0.859787 0.136141 0.685456
CG C 0.853079 0.134291 0.703978
OD1 O 0.854116 0.120882 0.710526
OD2 O 0.847378 0.146286 0.712056
N N 0.911663 0.101463 0.69024
CA C 0.939524 0.0951477 0.700423
C C 0.967441 0.0972569 0.69092
O O 0.993465 0.0957015 0.699011
CB C 0.935269 0.0777678 0.705233
OG O 0.932679 0.0680115 0.690162
N N 0.962122 0.10025 0.673915
CA C 0.985555 0.102559 0.66283
C C 0.974825 0.114319 0.649119
O O 0.947716 0.119515 0.647433
CB C 0.99097 0.0870175 0.653459
CG C 1.00044 0.0735495 0.665601
CD C 1.00522 0.058373 0.65585
OE1 O 0.989956 0.0553212 0.641668
NE2 N 1.02587 0.0486402 0.663758
N N 0.995613 0.118867 0.638937
CA C 0.988399 0.131039 0.625408
C C 0.969141 0.124959 0.607998
O O 0.977259 0.127846 0.594155
CB C 1.01773 0.139004 0.621291
CG C 1.03339 0.149043 0.636937
OD1 O 1.01751 0.15398 0.648073
OD2 O 1.06048 0.152496 0.636623
N N 0.943445 0.1175 0.609383
CA C 0.925423 0.109547 0.594495
C C 0.905307 0.12153 0.583581
O O 0.895893 0.118478 0.567961
CB C 0.904825 0.0974336 0.601475
CG C 0.921269 0.083188 0.609736
CD C 0.898625 0.0736084 0.619082
CE C 0.913294 0.0587265 0.626846
NZ N 0.890136 0.0458241 0.626506
N N 0.896887 0.134385 0.591672
CA C 0.875919 0.14585 0.582614
C C 0.884024 0.161816 0.590352
O O 0.87803 0.165021 0.605109
CB C 0.843451 0.141738 0.584339
N N 0.900861 0.170971 0.581202
CA C 0.914399 0.185311 0.588888
C C 0.908898 0.199003 0.576836
O O 0.905553 0.197059 0.560785
CB C 0.949344 0.183697 0.594704
CG1 C 0.956644 0.170476 0.608115
CG2 C 0.966662 0.180598 0.579189
N N 0.909174 0.212718 0.585241
CA C 0.908113 0.228248 0.577542
C C 0.938064 0.23665 0.583163
O O 0.949847 0.236744 0.598534
CB C 0.880807 0.23665 0.58332
CG C 0.869792 0.251602 0.574797
CD1 C 0.855869 0.248657 0.55587
CD2 C 0.845065 0.258531 0.58464
N N 0.951444 0.243284 0.570549
CA C 0.980387 0.252192 0.573647
C C 0.977991 0.266249 0.561203
O O 0.957692 0.266331 0.548851
CB C 1.00871 0.242636 0.569778
CG C 1.01393 0.226835 0.578928
CD C 1.04068 0.217597 0.57281
CE C 1.03444 0.209843 0.554799
NZ N 1.056 0.19667 0.55225
N N 0.999897 0.276736 0.564197
CA C 1.00199 0.290286 0.552786
C C 0.978015 0.302682 0.554916
O O 0.966996 0.304084 0.56868
N N 0.970235 0.312026 0.541205
CA C 0.948523 0.324763 0.542172
C C 0.962228 0.335815 0.556276
O O 0.989321 0.340305 0.55723
N N 0.944813 0.339739 0.568144
CA C 0.956262 0.349484 0.582875
C C 0.971876 0.340682 0.598613
O O 0.98162 0.348034 0.61171
CB C 0.927212 0.356825 0.587332
CG C 0.904487 0.343651 0.583947
CD C 0.912573 0.335179 0.568445
N N 0.9739 0.325199 0.59758
CA C 0.984566 0.315902 0.613121
C C 1.01959 0.313817 0.615932
O O 1.034 0.31199 0.603449
CB C 0.970056 0.299536 0.611174
CG C 0.935726 0.299547 0.606507
CD1 C 0.92409 0.283275 0.601096
CD2 C 0.921008 0.305651 0.621984
N N 1.03153 0.312709 0.632519
CA C 1.06236 0.30809 0.638414
CA C 1.063 0.307784 0.638636
C C 1.05834 0.292101 0.647341
O O 1.04503 0.291382 0.660177
CB C 1.07745 0.320557 0.650988
CB C 1.081 0.319308 0.651707
CG C 1.08634 0.335662 0.641642
CG C 1.10671 0.310953 0.664503
N N 1.06795 0.279622 0.639956
CA C 1.06489 0.264069 0.647603
C C 1.04132 0.253912 0.636963
O O 1.02642 0.258142 0.622807
N N 1.04027 0.239749 0.643328
CA C 1.02137 0.227153 0.634571
C C 0.99479 0.224619 0.644819
O O 0.9994 0.22337 0.660844
CB C 1.03994 0.212224 0.633094
OG1 O 1.06256 0.215535 0.622088
CG2 C 1.01969 0.198591 0.625199
N N 0.966786 0.224843 0.635368
CA C 0.939531 0.223476 0.643459
C C 0.921003 0.208948 0.637878
O O 0.911631 0.207051 0.622245
CB C 0.919629 0.238323 0.639446
CG C 0.932525 0.253217 0.648818
CD1 C 0.958431 0.260805 0.643642
CD2 C 0.917501 0.260369 0.661863
CE1 C 0.969912 0.274532 0.651929
CE2 C 0.929025 0.274214 0.670046
CZ C 0.954542 0.281095 0.664856
OH O 0.966121 0.29441 0.673653
N N 0.915827 0.198744 0.650544
CA C 0.900985 0.183933 0.646531
C C 0.866456 0.185087 0.645511
O O 0.855537 0.191745 0.657694
CB C 0.912342 0.172044 0.66002
CG C 0.94384 0.165669 0.659458
CD C 0.949968 0.152425 0.672712
NE N 0.982101 0.14843 0.674058
CZ C 0.99918 0.141879 0.687561
NH1 N 0.986115 0.136789 0.700828
NH2 N 1.02916 0.1401 0.687025
N N 0.849143 0.177982 0.632074
CA C 0.815911 0.177051 0.630689
C C 0.805726 0.166635 0.645093
O O 0.814507 0.152531 0.646714
CB C 0.803332 0.170759 0.612834
CG C 0.768871 0.169204 0.609239
CD1 C 0.752147 0.185406 0.609331
CD2 C 0.76095 0.160708 0.592169
N N 0.789921 0.173575 0.655811
CA C 0.776014 0.164078 0.669261
C C 0.742676 0.16019 0.66419
O O 0.732032 0.146934 0.667706
CB C 0.783924 0.171396 0.687522
CG1 C 0.771505 0.16125 0.701311
CG2 C 0.770706 0.18788 0.687757
CD1 C 0.784511 0.165139 0.71982
N N 0.725025 0.17136 0.65572
CA C 0.692538 0.168839 0.650884
C C 0.680059 0.180893 0.637355
O O 0.694022 0.193418 0.635865
CB C 0.674753 0.170123 0.667013
CG C 0.680213 0.185936 0.676124
CD C 0.653196 0.196281 0.674254
OE1 O 0.634742 0.196953 0.660883
NE2 N 0.649827 0.204682 0.688789
N N 0.653727 0.177004 0.627591
CA C 0.633833 0.189176 0.61818
C C 0.601479 0.188552 0.622676
O O 0.590669 0.176403 0.628545
CB C 0.635566 0.188728 0.598299
CG C 0.618969 0.175319 0.588535
CD1 C 0.587334 0.174494 0.58528
CD2 C 0.635651 0.16343 0.582261
CE1 C 0.573076 0.161887 0.575712
CE2 C 0.62177 0.150328 0.573425
CZ C 0.590591 0.150198 0.569412
N N 0.585323 0.201831 0.619147
CA C 0.553284 0.203257 0.622676
C C 0.540178 0.216619 0.610899
O O 0.557006 0.22449 0.601998
CB C 0.550701 0.206662 0.641851
CG C 0.566004 0.221862 0.647799
ND1 N 0.596427 0.222899 0.654256
CD2 C 0.555069 0.236709 0.647328
CE1 C 0.603729 0.237769 0.65738
NE2 N 0.578826 0.245994 0.653524
N N 0.510703 0.219246 0.610899
CA C 0.494031 0.231772 0.601109
C C 0.475581 0.241257 0.612154
O O 0.469234 0.236438 0.62648
CB C 0.4709 0.224596 0.5863
CG C 0.484816 0.213803 0.574222
CD1 C 0.489289 0.197683 0.578522
CD2 C 0.490136 0.218763 0.557491
CE1 C 0.500926 0.187939 0.566785
CE2 C 0.50169 0.208889 0.545884
CZ C 0.507227 0.193194 0.550747
N N 0.466527 0.255361 0.605292
CA C 0.443111 0.265341 0.612063
C C 0.419231 0.268452 0.596587
O O 0.427797 0.270491 0.581673
CB C 0.456516 0.280883 0.619095
CG C 0.483944 0.279528 0.632793
ND1 N 0.481587 0.28073 0.650152
CD2 C 0.51323 0.275074 0.631904
CE1 C 0.508142 0.27756 0.659615
NE2 N 0.527766 0.274968 0.648831
N N 0.390499 0.268864 0.599423
CA C 0.365979 0.270714 0.584783
C C 0.33771 0.278527 0.589947
O O 0.335689 0.281307 0.605762
CB C 0.358989 0.254855 0.575725
CG C 0.346578 0.243178 0.58745
CD1 C 0.317197 0.241116 0.589659
CD2 C 0.364192 0.232691 0.59958
NE1 N 0.314181 0.229274 0.60158
CE2 C 0.342884 0.224101 0.608246
CE3 C 0.39527 0.229462 0.603357
CZ2 C 0.351844 0.212094 0.620245
CZ3 C 0.404469 0.218127 0.615592
CH2 C 0.383135 0.209089 0.623578
N N 0.316376 0.282509 0.576679
CA C 0.289906 0.291724 0.579869
C C 0.260605 0.28212 0.578888
O O 0.260145 0.268051 0.574667
N N 0.236722 0.290074 0.583032
CA C 0.205798 0.284065 0.580379
C C 0.190892 0.286174 0.561609
O O 0.166347 0.279658 0.556681
CB C 0.186013 0.292112 0.592678
OG O 0.187462 0.308856 0.591044
N N 0.204952 0.295506 0.55157
CA C 0.193679 0.299394 0.53348
C C 0.221112 0.299983 0.524043
O O 0.246628 0.303589 0.531715
CB C 0.179992 0.316562 0.531937
CG C 0.154995 0.32025 0.54293
CD1 C 0.148573 0.33796 0.542643
CD2 C 0.126254 0.311048 0.53582
N N 0.215616 0.298228 0.50658
CA C 0.240926 0.298075 0.496136
C C 0.258394 0.314123 0.496502
O O 0.285857 0.314488 0.493862
CB C 0.229484 0.294622 0.477052
CG C 0.21869 0.277937 0.473745
OD1 O 0.224516 0.267733 0.485444
OD2 O 0.203909 0.274756 0.458648
N N 0.242689 0.326766 0.49973
CA C 0.256217 0.342496 0.499652
C C 0.278219 0.347492 0.515912
O O 0.28926 0.36089 0.517115
N N 0.284126 0.337194 0.528526
CA C 0.305077 0.340741 0.544473
C C 0.320043 0.325611 0.551387
O O 0.308638 0.31265 0.546943
CB C 0.288246 0.348235 0.558602
CG C 0.264116 0.33783 0.566092
CD C 0.242838 0.34787 0.575647
OE1 O 0.230682 0.359711 0.568432
NE2 N 0.236615 0.342791 0.590966
N N 0.343352 0.327532 0.563896
CA C 0.359648 0.31384 0.572013
C C 0.394003 0.315419 0.575255
O O 0.408221 0.308785 0.587986
N N 0.408395 0.324351 0.56451
CA C 0.441249 0.327226 0.568314
C C 0.449974 0.338019 0.584182
O O 0.430465 0.347233 0.589254
CB C 0.453781 0.333141 0.551949
OG O 0.443801 0.34893 0.547008
N N 0.478302 0.336299 0.592325
CA C 0.490839 0.345796 0.606573
C C 0.50625 0.360112 0.599632
O O 0.497294 0.37358 0.602521
CB C 0.512765 0.335922 0.619369
CG C 0.49551 0.322359 0.62648
CD C 0.509813 0.317964 0.644714
OE1 O 0.536985 0.31278 0.646858
OE2 O 0.49434 0.319272 0.656543
N N 0.528815 0.357543 0.59043
CA C 0.540854 0.370363 0.579999
C C 0.516032 0.375171 0.565425
O O 0.495552 0.366133 0.559844
CB C 0.570362 0.365945 0.573464
CG C 0.595431 0.362952 0.588313
ND1 N 0.600563 0.348388 0.596051
CD2 C 0.616216 0.372826 0.597175
CE1 C 0.62304 0.349425 0.609161
NE2 N 0.633227 0.363977 0.609919
N N 0.516647 0.390512 0.560955
CA C 0.497141 0.396804 0.54574
C C 0.517958 0.404911 0.533963
O O 0.543834 0.409082 0.54029
CB C 0.473095 0.40801 0.551296
OG1 O 0.487506 0.420665 0.561504
CG2 C 0.450777 0.399644 0.561726
N N 0.507091 0.406891 0.517102
CA C 0.525709 0.414738 0.505142
C C 0.505802 0.428053 0.497391
O O 0.48098 0.425508 0.488346
CB C 0.533446 0.403415 0.490842
CG1 C 0.551214 0.411616 0.478647
CG2 C 0.551124 0.38924 0.498855
N N 0.51669 0.442511 0.501286
CA C 0.497601 0.456544 0.496018
C C 0.465639 0.455366 0.501587
O O 0.442627 0.459089 0.491182
CB C 0.495956 0.459195 0.476529
CG C 0.526893 0.46319 0.47104
OD1 O 0.546401 0.469765 0.481784
OD2 O 0.532291 0.459655 0.456256
N N 0.464547 0.449498 0.517585
CA C 0.436596 0.446293 0.525611
C C 0.416015 0.433167 0.518174
O O 0.393287 0.429879 0.525167
CB C 0.417268 0.461139 0.526487
CG C 0.434028 0.475161 0.534552
CD C 0.442327 0.474325 0.553779
CE C 0.458776 0.489548 0.560158
NZ N 0.45448 0.495275 0.577947
N N 0.424359 0.424777 0.50509
CA C 0.407049 0.411227 0.496907
C C 0.41357 0.397252 0.508763
O O 0.440049 0.394012 0.515141
CB C 0.417986 0.407433 0.479274
CG C 0.402287 0.393882 0.468138
CD C 0.417258 0.390807 0.451342
CE C 0.398207 0.380473 0.437565
NZ N 0.386443 0.365803 0.444858
N N 0.389088 0.389428 0.5122
CA C 0.391061 0.374122 0.521441
C C 0.385139 0.360454 0.50905
O O 0.366491 0.36109 0.496201
CB C 0.367297 0.37358 0.533898
CG C 0.370994 0.386494 0.547806
CD C 0.343091 0.387508 0.55689
CE C 0.349979 0.395991 0.574287
NZ N 0.337856 0.411415 0.574261
N N 0.401875 0.347787 0.512919
CA C 0.397145 0.3332 0.503534
C C 0.377904 0.322088 0.513547
O O 0.372983 0.325388 0.528617
CB C 0.428507 0.326307 0.50126
CG C 0.445019 0.335922 0.488555
CD1 C 0.440712 0.332516 0.471131
CD2 C 0.465448 0.347952 0.494398
CE1 C 0.455647 0.340953 0.459237
CE2 C 0.480454 0.356754 0.482516
CZ C 0.475466 0.352889 0.465092
OH O 0.490522 0.360619 0.45342
N N 0.367814 0.309056 0.504998
CA C 0.349803 0.297332 0.512553
C C 0.366595 0.288365 0.527898
O O 0.352861 0.282957 0.539218
CB C 0.337239 0.285702 0.499142
N N 0.396621 0.286928 0.528212
CA C 0.414914 0.279681 0.542525
C C 0.448303 0.283605 0.542473
O O 0.456464 0.290828 0.530147
CB C 0.409935 0.261983 0.541623
N N 0.467523 0.27888 0.556485
CA C 0.499911 0.281083 0.557661
C C 0.516214 0.26692 0.56638
O O 0.508634 0.262313 0.579908
CB C 0.509082 0.296272 0.567687
CG C 0.542696 0.301774 0.568105
CD C 0.549432 0.317764 0.576666
OE1 O 0.528278 0.327944 0.575307
OE2 O 0.57556 0.319743 0.585385
N N 0.537271 0.260699 0.557896
CA C 0.557836 0.247278 0.564027
C C 0.58723 0.253523 0.574261
O O 0.602069 0.264281 0.568157
CB C 0.564271 0.237934 0.54893
CG C 0.59068 0.22608 0.551204
CD1 C 0.585436 0.213614 0.56387
CD2 C 0.594481 0.218999 0.533715
N N 0.595315 0.24762 0.590208
CA C 0.623827 0.251001 0.60141
C C 0.643494 0.235872 0.603292
O O 0.635204 0.225079 0.611932
CB C 0.617979 0.257258 0.618781
CG C 0.603762 0.273448 0.617108
ND1 N 0.58847 0.279634 0.629695
CD2 C 0.602537 0.28423 0.604246
CE1 C 0.579858 0.294127 0.625264
NE2 N 0.586972 0.296837 0.609396
N N 0.669924 0.236367 0.596691
CA C 0.694193 0.22403 0.599697
C C 0.717484 0.230346 0.614324
O O 0.734881 0.242235 0.612102
CB C 0.706277 0.220743 0.583071
CG C 0.682961 0.213272 0.568628
CD1 C 0.68385 0.222074 0.552158
CD2 C 0.692323 0.196328 0.566301
N N 0.719131 0.222498 0.629343
CA C 0.737581 0.228084 0.645459
C C 0.768793 0.219729 0.648844
O O 0.769817 0.205531 0.64857
CB C 0.719881 0.225373 0.660608
CG1 C 0.737272 0.231029 0.677993
CG2 C 0.687601 0.232396 0.657694
N N 0.793314 0.228885 0.651668
CA C 0.825066 0.222734 0.653132
C C 0.842651 0.230134 0.669614
O O 0.837036 0.243661 0.674241
CB C 0.841483 0.226446 0.637643
CG C 0.823351 0.223099 0.620193
ND1 N 0.79958 0.23262 0.612991
CD2 C 0.827985 0.212718 0.60754
CE1 C 0.789184 0.227789 0.597057
NE2 N 0.806055 0.215641 0.593293
N N 0.865952 0.221744 0.677418
CA C 0.885184 0.227518 0.69339
C C 0.919358 0.225633 0.691011
O O 0.92981 0.215287 0.682019
CB C 0.877801 0.219458 0.709938
CG C 0.881689 0.20209 0.710161
CD1 C 0.860443 0.191415 0.704318
CD2 C 0.908354 0.193112 0.717036
NE1 N 0.871983 0.176733 0.706278
CE2 C 0.901507 0.177263 0.713533
CE3 C 0.937679 0.197035 0.724695
CZ2 C 0.922217 0.164891 0.718748
CZ3 C 0.958451 0.184911 0.72931
CH2 C 0.950377 0.168968 0.726277
N N 0.936693 0.23705 0.698632
CA C 0.969476 0.238358 0.69756
C C 0.988654 0.225727 0.708252
O O 0.988725 0.225232 0.72399
CB C 0.9799 0.254631 0.704174
CG C 1.01125 0.258495 0.700305
OD1 O 1.03147 0.248232 0.70071
ND2 N 1.01619 0.273613 0.696972
N N 1.00253 0.215676 0.699155
CA C 1.01924 0.201855 0.706997
C C 1.04144 0.205448 0.723323
O O 1.04736 0.195586 0.73429
CB C 1.03795 0.192923 0.694305
OG1 O 1.06159 0.202255 0.68828
CG2 C 1.01556 0.186242 0.679156
N N 1.05444 0.219458 0.72399
CA C 1.07841 0.222722 0.738329
C C 1.06718 0.222993 0.756079
O O 1.08593 0.222062 0.769137
CB C 1.09547 0.237969 0.734616
CG C 1.07873 0.25304 0.7371
CD C 1.09702 0.267109 0.73195
CE C 1.08078 0.282168 0.73608
NZ N 1.09283 0.295989 0.727244
N N 1.03749 0.224537 0.756706
CA C 1.02479 0.224619 0.773307
C C 1.01724 0.208665 0.779058
O O 1.00675 0.20711 0.792939
CB C 0.997259 0.235754 0.771463
CG C 1.00721 0.252133 0.768575
CD1 C 1.03036 0.259026 0.780391
CD2 C 0.994363 0.260958 0.754628
CE1 C 1.04057 0.274238 0.777711
CE2 C 1.00337 0.276476 0.75204
CZ C 1.02689 0.282839 0.763817
OH O 1.03663 0.297804 0.761294
N N 1.02249 0.196152 0.769163
CA C 1.01936 0.17995 0.775359
C C 0.987993 0.172798 0.772666
O O 0.983928 0.159389 0.767411
N N 0.964642 0.181965 0.775803
CA C 0.933022 0.17691 0.772039
C C 0.911729 0.190979 0.769333
O O 0.920627 0.204588 0.774208
CB C 0.922805 0.16462 0.784404
CG C 0.923551 0.170359 0.803265
OD1 O 0.916468 0.184157 0.806964
OD2 O 0.931605 0.160426 0.814885
N N 0.883428 0.187632 0.762353
CA C 0.859615 0.19984 0.759451
C C 0.855302 0.209325 0.775646
O O 0.853711 0.223936 0.774875
CB C 0.829471 0.192228 0.751975
CG C 0.804452 0.203752 0.747151
CD1 C 0.801628 0.211187 0.731192
CD2 C 0.783725 0.207239 0.758641
CE1 C 0.779241 0.221674 0.726656
CE2 C 0.760602 0.218257 0.753778
CZ C 0.758175 0.225291 0.737675
N N 0.855149 0.201289 0.790443
CA C 0.850949 0.209101 0.806638
C C 0.874549 0.221461 0.812075
O O 0.867454 0.233622 0.819539
N N 0.903607 0.218092 0.810036
CA C 0.92769 0.229933 0.814454
C C 0.924233 0.243095 0.800599
O O 0.930078 0.25694 0.804755
CB C 0.959435 0.222663 0.816454
CG C 0.968287 0.21722 0.835145
CD C 0.999379 0.209643 0.837171
CE C 0.997989 0.192982 0.830571
NZ N 1.03061 0.187809 0.831878
N N 0.916449 0.23824 0.784299
CA C 0.91564 0.249399 0.769464
C C 0.89164 0.262242 0.770732
O O 0.897037 0.276111 0.767477
CB C 0.908863 0.240444 0.751674
N N 0.865812 0.257953 0.776234
CA C 0.841572 0.269878 0.77745
C C 0.849468 0.282851 0.789933
O O 0.833264 0.294799 0.788874
CB C 0.810941 0.262926 0.780509
CG1 C 0.7979 0.253841 0.765856
CG2 C 0.811382 0.254148 0.797514
N N 0.874585 0.281378 0.801553
CA C 0.884092 0.293173 0.814036
C C 0.90765 0.304213 0.807958
O O 0.919634 0.313864 0.817787
CB C 0.894191 0.284665 0.832244
CG C 0.86625 0.274886 0.836596
CD C 0.869381 0.264858 0.853366
OE1 O 0.865031 0.270809 0.867405
NE2 N 0.874325 0.249104 0.851641
N N 0.913643 0.303236 0.791384
CA C 0.935401 0.312874 0.784129
C C 0.921074 0.322454 0.768366
O O 0.900456 0.316974 0.758105
CB C 0.959785 0.30188 0.778182
CG C 0.974753 0.291288 0.792351
CD C 0.996464 0.300089 0.805866
OE1 O 1.00836 0.312615 0.802376
NE2 N 1.00113 0.293644 0.821552
N N 0.931561 0.337076 0.765712
CA C 0.918143 0.347139 0.751386
C C 0.920654 0.340352 0.733531
O O 0.900529 0.343357 0.721911
CB C 0.936871 0.362363 0.753896
CG C 0.962457 0.359122 0.76796
CD C 0.955798 0.344983 0.777829
N N 0.944769 0.330784 0.73246
CA C 0.949368 0.323031 0.716225
C C 0.941144 0.305227 0.716278
O O 0.954049 0.296213 0.70701
CB C 0.983484 0.324869 0.713128
CG C 1.00607 0.317234 0.726891
OD1 O 0.999694 0.313605 0.741662
OD2 O 1.03338 0.315949 0.723911
N N 0.922162 0.300584 0.726996
CA C 0.916875 0.283923 0.72995
C C 0.898151 0.275758 0.714971
O O 0.904101 0.261795 0.71118
N N 0.874734 0.283864 0.707063
CA C 0.851973 0.276512 0.693809
C C 0.850378 0.285219 0.676241
O O 0.856425 0.299123 0.675431
CB C 0.819063 0.276229 0.698919
CG C 0.810146 0.267981 0.715507
CD1 C 0.776344 0.264682 0.714487
CD2 C 0.829071 0.254501 0.720369
N N 0.840945 0.276382 0.662451
CA C 0.832634 0.282827 0.644792
C C 0.802695 0.275216 0.638179
O O 0.800115 0.26084 0.637826
CB C 0.857475 0.279481 0.633238
N N 0.779891 0.284748 0.632649
CA C 0.749865 0.278373 0.625382
C C 0.744298 0.283746 0.606481
O O 0.74614 0.297921 0.602874
CB C 0.724278 0.283452 0.635617
CG1 C 0.692907 0.276029 0.628035
CG2 C 0.731642 0.277207 0.654635
N N 0.738959 0.272482 0.59473
CA C 0.729818 0.275322 0.576732
C C 0.695477 0.275934 0.573451
O O 0.679953 0.26421 0.576392
CB C 0.742239 0.262219 0.56638
CG C 0.738294 0.262808 0.547047
CD1 C 0.751338 0.277973 0.540172
CD2 C 0.754083 0.248197 0.540264
N N 0.682509 0.289367 0.567399
CA C 0.650003 0.291712 0.563726
C C 0.638965 0.292395 0.544237
O O 0.653175 0.299889 0.534539
N N 0.61467 0.283299 0.539218
CA C 0.60176 0.281319 0.520827
C C 0.567481 0.283688 0.519141
O O 0.551427 0.275993 0.527768
CB C 0.609246 0.264811 0.514814
CG1 C 0.644035 0.262101 0.517978
CG2 C 0.596932 0.263209 0.495404
CD1 C 0.655367 0.246335 0.5122
N N 0.556066 0.294634 0.507795
CA C 0.523654 0.298416 0.504802
C C 0.505865 0.28595 0.493652
O O 0.517165 0.279351 0.482215
CB C 0.518364 0.314476 0.495639
CG C 0.531101 0.327768 0.506632
CD1 C 0.520337 0.330996 0.522513
CD2 C 0.553795 0.337277 0.501116
CE1 C 0.532002 0.343286 0.532813
CE2 C 0.565353 0.349955 0.511063
CZ C 0.555223 0.352665 0.527127
N N 0.478121 0.282521 0.497783
CA C 0.45622 0.271869 0.487091
C C 0.42934 0.282191 0.478359
O O 0.412608 0.289167 0.48747
CB C 0.444446 0.259002 0.497966
CG C 0.464568 0.243943 0.50109
CD1 C 0.495211 0.248433 0.512854
CD2 C 0.448572 0.231218 0.509769
N N 0.426185 0.282427 0.460818
CA C 0.401037 0.290262 0.450021
CA C 0.400535 0.290486 0.450008
C C 0.378677 0.278149 0.442166
O O 0.388575 0.26626 0.435421
CB C 0.415058 0.298216 0.435526
CB C 0.410977 0.301209 0.435826
CG C 0.394143 0.308137 0.422781
CG C 0.423866 0.293609 0.42039
CD C 0.416026 0.318282 0.41405
CD C 0.422477 0.305239 0.405214
N N 0.34943 0.281025 0.442558
CA C 0.326125 0.269666 0.435591
CA C 0.326127 0.269654 0.435317
C C 0.32466 0.268971 0.415619
O O 0.323178 0.280789 0.407109
CB C 0.294526 0.273106 0.441447
CB C 0.292783 0.272105 0.439369
CG1 C 0.270289 0.260605 0.434572
CG1 C 0.288358 0.264481 0.456714
CG2 C 0.297627 0.273177 0.461145
CG2 C 0.280748 0.289096 0.43733
N N 0.324707 0.254772 0.408573
CA C 0.325691 0.252604 0.389738
C C 0.322484 0.235177 0.384653
O O 0.303834 0.226882 0.390954
N N 0.343075 0.229733 0.375072
CA C 0.346229 0.212848 0.371164
C C 0.357894 0.203575 0.387947
O O 0.375279 0.209584 0.400064
CB C 0.367895 0.210433 0.357518
OG O 0.353725 0.216301 0.341271
N N 0.349076 0.188587 0.387699
CA C 0.361373 0.178359 0.401986
C C 0.396161 0.176674 0.402953
O O 0.408249 0.176262 0.389581
CB C 0.346562 0.162594 0.399724
N N 0.412584 0.17658 0.418939
CA C 0.446392 0.174058 0.421984
C C 0.451912 0.156337 0.425631
O O 0.443529 0.150987 0.439029
CB C 0.460101 0.183426 0.43763
CG C 0.495288 0.183002 0.441316
CD C 0.509225 0.192593 0.427997
CE C 0.542552 0.196187 0.434258
NZ N 0.555259 0.202785 0.4192
N N 0.465046 0.147441 0.413985
CA C 0.469258 0.13065 0.416429
C C 0.488906 0.127315 0.43367
O O 0.482573 0.116534 0.443094
CB C 0.485711 0.125595 0.400901
CG C 0.475917 0.137142 0.387215
CD C 0.470811 0.152484 0.396457
N N 0.512106 0.13706 0.437905
CA C 0.533595 0.13488 0.453538
C C 0.521238 0.137213 0.470543
O O 0.536066 0.132017 0.483928
N N 0.494519 0.144731 0.470491
CA C 0.479912 0.146639 0.485196
C C 0.457787 0.133348 0.487954
O O 0.449066 0.131227 0.502122
CB C 0.461899 0.161451 0.483875
CG C 0.445362 0.166942 0.498384
CD1 C 0.468238 0.169121 0.515363
CD2 C 0.430326 0.182519 0.493077
N N 0.448715 0.124405 0.474151
CA C 0.423808 0.11294 0.47466
C C 0.431424 0.101039 0.488921
O O 0.410769 0.0969152 0.497378
CB C 0.415084 0.104845 0.456701
CG C 0.383425 0.0971862 0.454962
CD C 0.357898 0.108239 0.457537
OE1 O 0.356307 0.121577 0.45057
NE2 N 0.337041 0.103066 0.467144
N N 0.459982 0.0952891 0.491836
CA C 0.469172 0.0833529 0.50556
C C 0.463303 0.0893034 0.523415
O O 0.453925 0.080525 0.534159
CB C 0.502393 0.0781684 0.505756
CG C 0.515005 0.0652543 0.518893
CD C 0.546148 0.0584672 0.51522
CE C 0.566007 0.0517981 0.531728
NZ N 0.55119 0.0383537 0.539636
N N 0.468551 0.104551 0.526304
CA C 0.461588 0.112386 0.542995
C C 0.427291 0.112763 0.544185
O O 0.416306 0.106624 0.556851
CB C 0.474374 0.129318 0.544564
CG1 C 0.463679 0.137932 0.559975
CG2 C 0.508894 0.128989 0.546407
N N 0.409222 0.118843 0.530434
CA C 0.376446 0.119126 0.529153
C C 0.362509 0.102995 0.53199
O O 0.341936 0.101558 0.540983
CB C 0.362537 0.126043 0.511141
CG1 C 0.328317 0.124853 0.508083
CG2 C 0.371461 0.143376 0.511455
N N 0.3745 0.0909765 0.524409
CA C 0.361674 0.0751638 0.525245
C C 0.364175 0.0685064 0.543375
O O 0.347109 0.0573596 0.546316
CB C 0.376723 0.0640406 0.513063
CG C 0.367929 0.068035 0.493666
OD1 O 0.342917 0.0751991 0.488777
OD2 O 0.383589 0.0624381 0.483196
N N 0.386769 0.0738912 0.555165
CA C 0.391663 0.0670217 0.572863
C C 0.375803 0.076672 0.586208
O O 0.376018 0.071947 0.601122
CB C 0.426307 0.0645001 0.578653
CG1 C 0.441998 0.0797591 0.583659
CG2 C 0.432843 0.0534359 0.593907
N N 0.363473 0.0906584 0.580928
CA C 0.351404 0.100874 0.593711
C C 0.325554 0.0932035 0.602364
O O 0.322535 0.0965146 0.617513
CB C 0.341575 0.117064 0.585881
CG C 0.367691 0.126196 0.579869
CD1 C 0.356551 0.142692 0.573111
CD2 C 0.394298 0.128399 0.594508
N N 0.307256 0.0825399 0.593175
CA C 0.282597 0.0750577 0.601018
CA C 0.282709 0.0745864 0.600822
C C 0.29439 0.0644412 0.616428
O O 0.277122 0.0603997 0.62682
CB C 0.260112 0.0662676 0.587398
CB C 0.261505 0.0646062 0.587241
CG C 0.237602 0.0774143 0.576719
CG C 0.277931 0.0512089 0.579228
OD1 O 0.236124 0.0921313 0.580326
OD1 O 0.306527 0.0500188 0.581633
OD2 O 0.221633 0.0712047 0.564066
OD2 O 0.261052 0.0418886 0.569804
N N 0.324 0.0601051 0.618232
CA C 0.337053 0.0509261 0.633316
C C 0.351519 0.0604468 0.649093
O O 0.36222 0.0538247 0.662778
CB C 0.35996 0.0388839 0.627264
OG O 0.386248 0.0476269 0.624362
N N 0.352389 0.0762949 0.647694
CA C 0.365188 0.0864872 0.661994
C C 0.34214 0.0996488 0.664307
O O 0.350644 0.113411 0.666765
CB C 0.397446 0.0930975 0.660242
CG1 C 0.397743 0.102866 0.643668
CG2 C 0.420116 0.0790521 0.661014
CD1 C 0.423965 0.114531 0.644492
N N 0.312833 0.0952184 0.663301
CA C 0.288921 0.107803 0.663223
C C 0.291705 0.118254 0.6793
O O 0.287561 0.132747 0.67781
CB C 0.25745 0.100214 0.660465
CG C 0.231788 0.112127 0.657994
CD C 0.200458 0.103808 0.656399
CE C 0.174445 0.115898 0.655981
NZ N 0.144269 0.108592 0.657615
N N 0.301712 0.111609 0.694645
CA C 0.30196 0.119739 0.711128
C C 0.33436 0.121907 0.720931
O O 0.355036 0.113211 0.718095
CB C 0.281741 0.11109 0.722656
OG1 O 0.288818 0.0945468 0.72331
CG2 C 0.248974 0.112587 0.714931
N N 0.336885 0.132924 0.732969
CA C 0.36545 0.136871 0.743439
C C 0.379494 0.12206 0.752484
O O 0.364265 0.113246 0.760575
CB C 0.359489 0.148949 0.75719
CG C 0.387944 0.153792 0.76949
CD C 0.381255 0.167048 0.781803
CE C 0.36037 0.161639 0.794534
NZ N 0.360433 0.17288 0.809382
N N 0.408701 0.119751 0.751073
CA C 0.426554 0.106907 0.760392
C C 0.427907 0.0923787 0.748825
O O 0.444787 0.0814323 0.754249
N N 0.409418 0.0914596 0.733688
CA C 0.410917 0.0780152 0.722447
C C 0.43877 0.0796059 0.712775
O O 0.447329 0.0926379 0.707742
CB C 0.381413 0.0766838 0.709651
CG C 0.353454 0.0718881 0.717833
CD C 0.342956 0.0551798 0.713389
CE C 0.321145 0.0547085 0.696305
NZ N 0.314112 0.0385893 0.688972
N N 0.453405 0.0664915 0.709912
CA C 0.478316 0.066138 0.699887
C C 0.475436 0.0516802 0.688554
O O 0.458686 0.0406278 0.691874
CB C 0.509571 0.0661733 0.711272
OG O 0.513988 0.0520455 0.720957
N N 0.490767 0.0519748 0.674986
CA C 0.492017 0.0381298 0.663941
C C 0.522457 0.0372578 0.657602
O O 0.536188 0.0490408 0.654661
CB C 0.467272 0.039261 0.648544
N N 0.531858 0.0229651 0.653628
CA C 0.558811 0.0206203 0.644845
C C 0.555288 0.0289037 0.627473
O O 0.530693 0.0288566 0.618141
CB C 0.563053 0.00271009 0.641407
CG C 0.574837 -0.00622142 0.657354
OD1 O 0.589887 0.000271009 0.67015
OD2 O 0.570153 -0.0206203 0.656648
N N 0.579556 0.0364684 0.622755
CA C 0.577041 0.0455413 0.606377
C C 0.60825 0.0455413 0.599933
O O 0.626333 0.0563581 0.602978
CB C 0.565215 0.0620375 0.609409
CG C 0.554299 0.0711222 0.592822
CD1 C 0.52686 0.0674695 0.583267
CD2 C 0.570513 0.0834826 0.587345
CE1 C 0.516065 0.0759061 0.568327
CE2 C 0.560605 0.0917189 0.57251
CZ C 0.532652 0.0878305 0.562798
N N 0.614564 0.0320851 0.592142
CA C 0.644321 0.0292336 0.586653
C C 0.643758 0.0324857 0.567229
O O 0.618895 0.0319791 0.556393
CB C 0.655975 0.0131498 0.591763
OG1 O 0.635259 0.00220342 0.583189
CG2 C 0.659173 0.0105576 0.6112
N N 0.671012 0.0357025 0.562471
CA C 0.676585 0.0379766 0.544329
C C 0.660068 0.0514681 0.534708
O O 0.652322 0.0505609 0.518566
CB C 0.669219 0.0227883 0.533401
CG C 0.688529 0.00900221 0.54093
OD1 O 0.676844 -0.00286327 0.545701
ND2 N 0.71878 0.011076 0.54276
N N 0.653344 0.0637814 0.544211
CA C 0.638812 0.0774379 0.536068
C C 0.664002 0.0877598 0.530839
O O 0.686576 0.0912358 0.541401
CB C 0.620758 0.0866757 0.548015
CG C 0.606658 0.101192 0.539401
CD1 C 0.580869 0.0999788 0.527245
CD2 C 0.620419 0.115379 0.541728
CE1 C 0.567148 0.113129 0.518696
CE2 C 0.608035 0.128541 0.532983
CZ C 0.580907 0.127598 0.521494
N N 0.660026 0.0934628 0.51471
CA C 0.682988 0.103219 0.507651
C C 0.674617 0.120788 0.507756
O O 0.653933 0.126137 0.497221
CB C 0.684255 0.0979874 0.489051
CG C 0.708888 0.106683 0.480529
OD1 O 0.724857 0.117147 0.488607
OD2 O 0.710489 0.102701 0.465236
N N 0.690356 0.129837 0.519442
CA C 0.681824 0.146133 0.520775
C C 0.690035 0.156443 0.505991
O O 0.677505 0.169616 0.503874
CB C 0.699043 0.151306 0.538486
CG C 0.726052 0.140571 0.540996
CD C 0.715109 0.125359 0.533153
N N 0.707287 0.150422 0.495247
CA C 0.712287 0.158623 0.478987
C C 0.682799 0.161003 0.46721
O O 0.679685 0.172126 0.456609
CB C 0.735002 0.150316 0.469458
CG C 0.767444 0.149514 0.479823
CD C 0.789445 0.139735 0.471301
NE N 0.777789 0.12391 0.468948
CZ C 0.790948 0.112539 0.460648
NH1 N 0.816699 0.115002 0.45406
NH2 N 0.777359 0.0988122 0.458374
N N 0.660795 0.150646 0.468857
CA C 0.630708 0.151942 0.457903
C C 0.610774 0.165516 0.462713
O O 0.585647 0.167967 0.453721
N N 0.620466 0.173516 0.477118
CA C 0.604562 0.187892 0.482372
C C 0.619814 0.202738 0.478098
O O 0.609899 0.214957 0.482581
CB C 0.602971 0.187255 0.501992
CG C 0.585078 0.173493 0.508423
CD1 C 0.586511 0.174058 0.528356
CD2 C 0.552212 0.17268 0.4999
N N 0.643717 0.201972 0.469654
CA C 0.660642 0.216159 0.46602
C C 0.648509 0.222616 0.447943
O O 0.639129 0.213932 0.436088
CB C 0.694041 0.212825 0.466203
CG C 0.710443 0.206485 0.48296
CD1 C 0.743945 0.202243 0.480908
CD2 C 0.708336 0.218162 0.497652
N N 0.647703 0.238217 0.446179
CA C 0.640512 0.244521 0.42865
C C 0.668726 0.243413 0.418965
O O 0.694012 0.239513 0.426624
CB C 0.632807 0.261418 0.431931
CG C 0.653929 0.265389 0.448309
CD C 0.656204 0.250624 0.459106
N N 0.664698 0.247726 0.402142
CA C 0.689873 0.246618 0.391228
CA C 0.690635 0.246595 0.391568
C C 0.715234 0.259367 0.396247
O O 0.743105 0.256009 0.397607
CB C 0.675804 0.246229 0.371687
CB C 0.679425 0.246583 0.372027
CG C 0.654856 0.231972 0.367191
CG C 0.662713 0.261453 0.365596
N N 0.705549 0.273566 0.400456
CA C 0.727013 0.286162 0.406456
C C 0.734473 0.286044 0.42635
O O 0.713447 0.284948 0.435251
CB C 0.713038 0.302187 0.400652
OG O 0.734693 0.314241 0.406404
N N 0.763911 0.288047 0.432768
CA C 0.774998 0.290368 0.451315
C C 0.782748 0.307619 0.455564
O O 0.798171 0.311236 0.469733
CB C 0.802319 0.27987 0.457041
CG C 0.795442 0.262207 0.455603
CD1 C 0.823819 0.253181 0.463092
CD2 C 0.768823 0.2574 0.465315
N N 0.77079 0.318388 0.444126
CA C 0.77296 0.335038 0.448858
C C 0.756842 0.337901 0.465027
O O 0.731979 0.331362 0.466674
CB C 0.759103 0.345701 0.433826
CG C 0.778615 0.346361 0.418952
OD1 O 0.80521 0.341283 0.42086
OD2 O 0.765942 0.352135 0.405371
N N 0.770353 0.347952 0.476791
CA C 0.759267 0.350615 0.493417
C C 0.764336 0.36664 0.501077
O O 0.782408 0.376455 0.495404
CB C 0.774746 0.338526 0.507155
CG C 0.808734 0.340976 0.511717
CD1 C 0.820713 0.351133 0.525245
CD2 C 0.829573 0.333365 0.502319
CE1 C 0.852117 0.353761 0.528578
CE2 C 0.860715 0.336098 0.505508
CZ C 0.872156 0.345972 0.519154
OH O 0.90376 0.348824 0.521899
N N 0.747339 0.369786 0.513651
CA C 0.7534 0.382724 0.52548
C C 0.765959 0.376785 0.543636
O O 0.759069 0.3634 0.548721
CB C 0.725028 0.392068 0.52697
CG C 0.709043 0.399538 0.510632
CD1 C 0.717198 0.412888 0.503234
CD2 C 0.681824 0.394141 0.500476
NE1 N 0.697404 0.416152 0.488333
CE2 C 0.675266 0.40464 0.486463
CE3 C 0.663204 0.380862 0.501469
CZ2 C 0.649453 0.402943 0.474111
CZ3 C 0.637339 0.379165 0.489091
CH2 C 0.630822 0.389947 0.475824
N N 0.784761 0.386094 0.553322
CA C 0.798072 0.380591 0.571203
C C 0.800533 0.393717 0.5843
O O 0.805965 0.407562 0.580431
CB C 0.829876 0.372331 0.571163
OG1 O 0.8411 0.366663 0.588666
CG2 C 0.854068 0.384067 0.565935
N N 0.796266 0.389676 0.600403
CA C 0.79971 0.401777 0.614585
C C 0.804674 0.392303 0.631813
O O 0.79649 0.378682 0.632035
CB C 0.770871 0.412464 0.613161
CG C 0.742638 0.403968 0.618284
CD1 C 0.725345 0.394 0.606834
CD2 C 0.735168 0.405158 0.635133
CE1 C 0.700991 0.3862 0.611671
CE2 C 0.710203 0.397323 0.640257
CZ C 0.6934 0.387248 0.628297
OH O 0.67006 0.3788 0.633957
N N 0.81722 0.39975 0.645812
CA C 0.820667 0.392704 0.66334
C C 0.792101 0.394012 0.67164
O O 0.778265 0.406325 0.672712
CB C 0.846862 0.402024 0.673196
CG C 0.843229 0.418367 0.665275
CD C 0.830632 0.415716 0.646008
N N 0.782082 0.380603 0.677784
CA C 0.753617 0.380261 0.685744
C C 0.751497 0.367665 0.699717
O O 0.774934 0.364048 0.710187
N N 0.723859 0.361821 0.700762
CA C 0.717585 0.351499 0.714343
C C 0.699207 0.337642 0.708631
O O 0.685885 0.33664 0.693181
CB C 0.698705 0.362115 0.726251
OG O 0.666911 0.363753 0.719088
N N 0.695998 0.327461 0.721075
CA C 0.670848 0.315619 0.718565
C C 0.640588 0.324657 0.715938
O O 0.637328 0.337171 0.723689
CB C 0.669196 0.304838 0.734878
CG C 0.699171 0.295906 0.741361
CD1 C 0.695968 0.286621 0.757739
CD2 C 0.709618 0.285844 0.727009
N N 0.618572 0.319143 0.703808
CA C 0.588373 0.32679 0.700579
C C 0.565249 0.320639 0.7122
O O 0.538563 0.326036 0.710383
CB C 0.573794 0.326095 0.68147
OG1 O 0.564914 0.309763 0.677627
CG2 C 0.5956 0.331456 0.669653
N N 0.574089 0.309551 0.723977
CA C 0.555273 0.304402 0.736629
C C 0.57391 0.306169 0.754772
O O 0.60261 0.305757 0.755517
CB C 0.547457 0.286881 0.734682
OG1 O 0.575217 0.278102 0.735767
CG2 C 0.529778 0.283629 0.716944
N N 0.558003 0.306924 0.768588
CA C 0.574604 0.30644 0.786757
C C 0.597412 0.29256 0.78839
O O 0.588687 0.27954 0.782339
CB C 0.548861 0.303884 0.797762
CG C 0.522759 0.313334 0.788011
CD C 0.524984 0.308986 0.768954
N N 0.626335 0.294846 0.795789
CA C 0.637605 0.307819 0.806624
C C 0.650546 0.321959 0.797788
O O 0.663182 0.332198 0.806834
CB C 0.662251 0.299936 0.819695
CG C 0.6751 0.287753 0.809618
CD C 0.647595 0.281425 0.79788
N N 0.645048 0.322925 0.780417
CA C 0.651249 0.3371 0.770627
C C 0.684077 0.34219 0.773555
O O 0.690776 0.355752 0.770718
CB C 0.629357 0.35045 0.774457
CG C 0.594484 0.346809 0.771137
CD1 C 0.577114 0.359723 0.779188
CD2 C 0.583601 0.34576 0.751635
N N 0.704426 0.330796 0.776587
CA C 0.737641 0.333777 0.781332
C C 0.74995 0.341153 0.765268
O O 0.741296 0.336346 0.750458
CB C 0.754641 0.3182 0.786116
CG C 0.746416 0.311283 0.803226
CD1 C 0.75997 0.294575 0.806781
CD2 C 0.755301 0.322147 0.818911
N N 0.77092 0.352583 0.76881
CA C 0.782322 0.361184 0.755229
C C 0.812197 0.35296 0.750615
O O 0.83687 0.359252 0.753412
CB C 0.786105 0.378753 0.760536
CG C 0.755168 0.386235 0.761072
CD C 0.756283 0.403532 0.76566
OE1 O 0.780514 0.408576 0.774509
OE2 O 0.731596 0.411262 0.762327
N N 0.80754 0.338726 0.743348
CA C 0.831988 0.328498 0.739387
C C 0.830348 0.323408 0.720395
O O 0.846761 0.312521 0.71633
CB C 0.830353 0.313734 0.750916
SG S 0.795918 0.302693 0.745714
N N 0.811417 0.331138 0.708932
CA C 0.803853 0.326012 0.690789
C C 0.815064 0.336876 0.677548
O O 0.808149 0.351263 0.676999
CB C 0.768513 0.323832 0.6856
CG1 C 0.763253 0.317234 0.666843
CG2 C 0.75493 0.312426 0.697743
N N 0.832639 0.33049 0.666543
CA C 0.837163 0.338007 0.650282
C C 0.811761 0.332351 0.636989
O O 0.809888 0.318082 0.632649
CB C 0.868499 0.334449 0.644753
OG1 O 0.891424 0.339704 0.658412
CG2 C 0.872559 0.34199 0.627591
N N 0.791032 0.343203 0.63065
CA C 0.765201 0.33902 0.616886
C C 0.775098 0.340152 0.599175
O O 0.789107 0.351829 0.595306
CB C 0.736856 0.350038 0.617918
CG C 0.719306 0.344405 0.631983
CD1 C 0.722192 0.34913 0.648871
CD2 C 0.697657 0.331833 0.630166
NE1 N 0.703693 0.339739 0.657994
CE2 C 0.688408 0.329241 0.646596
CE3 C 0.68576 0.322489 0.616128
CZ2 C 0.666282 0.318035 0.649446
CZ3 C 0.664024 0.31133 0.618611
CH2 C 0.654397 0.309127 0.635551
N N 0.765478 0.328357 0.588221
CA C 0.769466 0.328098 0.570183
C C 0.73805 0.324657 0.560511
O O 0.726757 0.31126 0.561491
CB C 0.793523 0.315513 0.567438
CG1 C 0.825072 0.320073 0.577673
CG2 C 0.797339 0.314382 0.548106
CD1 C 0.848934 0.307265 0.578875
N N 0.723804 0.336369 0.551374
CA C 0.692391 0.334402 0.54276
C C 0.693579 0.334637 0.523258
O O 0.703657 0.346102 0.516122
CB C 0.671505 0.347434 0.548342
CG1 C 0.639214 0.346008 0.538996
CG2 C 0.670838 0.347434 0.568223
N N 0.683138 0.321829 0.514383
CA C 0.682791 0.320592 0.49577
C C 0.659589 0.331491 0.485522
O O 0.633069 0.333058 0.489169
CB C 0.677921 0.303966 0.489417
CG C 0.703394 0.292855 0.497195
CD1 C 0.699668 0.276571 0.48879
CD2 C 0.735522 0.298499 0.496136
N N 0.669514 0.338408 0.471928
CA C 0.650249 0.348659 0.459446
C C 0.623509 0.339574 0.449394
O O 0.597171 0.345466 0.446754
CB C 0.671382 0.356129 0.446989
CG C 0.657274 0.367264 0.432336
CD C 0.678769 0.368879 0.418259
CE C 0.679707 0.353525 0.407619
NZ N 0.699462 0.354374 0.393476
N N 0.629945 0.325446 0.443643
CA C 0.60822 0.316715 0.431212
C C 0.58994 0.305604 0.441826
O O 0.604182 0.296119 0.451799
CB C 0.625261 0.307171 0.418821
CG C 0.602188 0.299064 0.405018
CD C 0.615775 0.290015 0.390797
OE1 O 0.643043 0.286303 0.392483
OE2 O 0.597741 0.286303 0.377477
N N 0.55986 0.307183 0.439957
CA C 0.540744 0.295989 0.448492
C C 0.538842 0.2802 0.439264
O O 0.545711 0.278927 0.424272
CB C 0.509235 0.303565 0.446623
CG C 0.5108 0.317434 0.435656
CD C 0.541436 0.319708 0.430716
N N 0.530113 0.268429 0.448348
CA C 0.52045 0.25337 0.440166
C C 0.484789 0.253947 0.437343
O O 0.470512 0.263055 0.446283
CB C 0.532724 0.239325 0.450832
CG1 C 0.522787 0.238712 0.469327
CG2 C 0.567471 0.238205 0.451721
CD1 C 0.52935 0.222616 0.477928
N N 0.470931 0.24478 0.424598
CA C 0.437419 0.243731 0.42137
CA C 0.437536 0.243201 0.421383
C C 0.427524 0.23077 0.433278
O O 0.445363 0.219989 0.438441
CB C 0.424867 0.241681 0.401528
CB C 0.427168 0.237086 0.402809
OG O 0.421448 0.256917 0.393267
OG O 0.434159 0.220778 0.402338
N N 0.3999 0.232325 0.438192
CA C 0.384405 0.220295 0.448022
C C 0.35128 0.220212 0.438793
O O 0.339404 0.232549 0.434375
CB C 0.385113 0.224242 0.467772
CG1 C 0.373773 0.240515 0.471798
CG2 C 0.36926 0.21233 0.47781
N N 0.336277 0.206851 0.436297
CA C 0.304376 0.207051 0.428494
C C 0.284004 0.21253 0.44214
O O 0.291913 0.210904 0.457825
CB C 0.293213 0.191073 0.420494
OG O 0.289225 0.179867 0.433382
N N 0.256302 0.217738 0.435866
CA C 0.234777 0.222145 0.447054
C C 0.227388 0.207852 0.458622
O O 0.225076 0.209667 0.474072
CB C 0.205694 0.229226 0.436885
OG O 0.190076 0.218115 0.426755
N N 0.227388 0.193854 0.451093
CA C 0.221197 0.179738 0.460256
C C 0.248466 0.174754 0.473863
O O 0.242563 0.169263 0.487574
CB C 0.211889 0.16607 0.447943
CG C 0.179747 0.167955 0.43865
CD C 0.155194 0.166835 0.450845
OE1 O 0.152824 0.154298 0.459472
OE2 O 0.138248 0.17856 0.451812
N N 0.276885 0.177087 0.469902
CA C 0.304143 0.173764 0.482411
C C 0.304581 0.183933 0.498737
O O 0.308915 0.178006 0.513416
CB C 0.333613 0.175578 0.473811
CG C 0.337774 0.162323 0.461171
CD C 0.366484 0.164679 0.452714
OE1 O 0.373996 0.177888 0.448048
NE2 N 0.383972 0.15173 0.451159
N N 0.300443 0.199298 0.496607
CA C 0.301531 0.209301 0.511468
C C 0.274118 0.207381 0.52118
O O 0.276915 0.209089 0.537218
CB C 0.308022 0.226764 0.507377
CG1 C 0.281482 0.234812 0.496358
CG2 C 0.315627 0.236178 0.524356
N N 0.247839 0.202986 0.511926
CA C 0.22105 0.199451 0.52016
C C 0.227975 0.186124 0.533807
O O 0.217991 0.186808 0.54791
CB C 0.194025 0.194903 0.506815
CG C 0.163735 0.192086 0.51369
CD1 C 0.15414 0.206108 0.524186
CD2 C 0.139383 0.188964 0.497848
N N 0.245726 0.174235 0.529545
CA C 0.25429 0.161203 0.541688
C C 0.272743 0.166517 0.558772
O O 0.269898 0.159683 0.572745
CB C 0.272819 0.148737 0.533454
CG C 0.25316 0.139169 0.519598
CD C 0.237192 0.125666 0.527441
CE C 0.259155 0.11208 0.533532
NZ N 0.249491 0.104103 0.548982
N N 0.290579 0.17896 0.558106
CA C 0.30857 0.185064 0.574104
C C 0.285939 0.191403 0.586274
O O 0.292151 0.189812 0.602547
CB C 0.327257 0.199675 0.570249
CG C 0.355943 0.196564 0.561883
CD1 C 0.362204 0.182106 0.554825
CD2 C 0.37667 0.208818 0.560877
CE1 C 0.388774 0.179985 0.547191
CE2 C 0.403067 0.206756 0.553282
CZ C 0.409174 0.192299 0.546433
N N 0.26009 0.198178 0.578248
CA C 0.237497 0.205767 0.587999
C C 0.217913 0.19383 0.596286
O O 0.199867 0.198661 0.605789
CB C 0.215379 0.216713 0.5763
CG C 0.232002 0.229604 0.567399
CD C 0.208609 0.240609 0.557491
NE N 0.226018 0.251001 0.547505
CZ C 0.221526 0.252616 0.530356
NH1 N 0.197913 0.245664 0.52067
NH2 N 0.240184 0.261995 0.522566
N N 0.221202 0.17856 0.592848
CA C 0.203774 0.166777 0.600469
C C 0.222177 0.160048 0.617056
O O 0.210417 0.150434 0.625513
CB C 0.195204 0.153968 0.587345
CG C 0.171288 0.159118 0.571909
CD C 0.163408 0.145332 0.559491
CE C 0.147536 0.149868 0.541244
NZ N 0.117746 0.157739 0.541924
N N 0.250792 0.164986 0.620872
CA C 0.2682 0.160402 0.63776
C C 0.254065 0.168249 0.652347
O O 0.23677 0.179644 0.649563
CB C 0.301475 0.164667 0.638375
CG C 0.319448 0.155653 0.625513
CD1 C 0.350389 0.163159 0.623853
CD2 C 0.321843 0.138344 0.630427
N N 0.263282 0.162982 0.668281
CA C 0.251365 0.169263 0.683705
C C 0.277056 0.175779 0.696593
O O 0.301203 0.168356 0.69956
CB C 0.238575 0.155595 0.693077
CG C 0.207268 0.150551 0.685862
OD1 O 0.193465 0.141585 0.695077
ND2 N 0.195218 0.155159 0.669941
N N 0.273872 0.189801 0.703612
CA C 0.295729 0.195527 0.718696
C C 0.295835 0.185017 0.735152
O O 0.319056 0.184109 0.746433
CB C 0.28554 0.211905 0.723741
CG C 0.293279 0.225185 0.711742
CD1 C 0.322709 0.228201 0.70888
CD2 C 0.270713 0.235766 0.705024
CE1 C 0.330027 0.240632 0.69854
CE2 C 0.277621 0.248574 0.695534
CZ C 0.306819 0.250884 0.691796
N N 0.269516 0.17889 0.737544
CA C 0.26411 0.170205 0.753439
C C 0.274843 0.152967 0.753439
O O 0.277769 0.145815 0.740093
CB C 0.229846 0.170406 0.754772
CG C 0.211372 0.163489 0.738172
OD1 O 0.20707 0.171325 0.724199
ND2 N 0.201535 0.148525 0.739361
N N 0.278693 0.146168 0.768941
CA C 0.283173 0.129295 0.770888
C C 0.254485 0.119715 0.767242
O O 0.228661 0.125795 0.767425
N N 0.25909 0.104315 0.765804
CA C 0.234385 0.0932507 0.762301
C C 0.21482 0.0933685 0.777528
O O 0.226736 0.0951477 0.793174
CB C 0.247698 0.0768369 0.760275
CG C 0.224446 0.064724 0.752197
CD C 0.2389 0.0486049 0.74953
OE1 O 0.264375 0.0480157 0.744067
OE2 O 0.224458 0.036492 0.752537
N N 0.184771 0.09285 0.772927
CA C 0.163654 0.0942876 0.785449
C C 0.159677 0.110772 0.792665
O O 0.141761 0.112622 0.803095
N N 0.174579 0.122755 0.786639
CA C 0.169489 0.139287 0.791371
C C 0.147129 0.146463 0.776274
O O 0.142541 0.139735 0.761961
CB C 0.198909 0.148666 0.79371
CG C 0.221481 0.143105 0.808938
CD C 0.251621 0.151836 0.811252
OE1 O 0.262222 0.159848 0.799357
OE2 O 0.26672 0.150269 0.82597
N N 0.133215 0.159636 0.779685
CA C 0.113274 0.167849 0.765503
C C 0.130603 0.171454 0.750132
O O 0.156875 0.176792 0.752497
CB C 0.104526 0.183014 0.774509
CG C 0.105927 0.178512 0.793449
CD C 0.132708 0.167366 0.796808
N N 0.115343 0.168862 0.734355
CA C 0.128695 0.171914 0.71867
C C 0.132114 0.189718 0.715114
O O 0.110013 0.19865 0.713494
CB C 0.110309 0.164361 0.70254
CG C 0.127735 0.165115 0.686907
CD C 0.110916 0.157857 0.670399
OE1 O 0.0831204 0.160744 0.666111
OE2 O 0.126075 0.149479 0.661445
N N 0.160061 0.194042 0.71365
CA C 0.168794 0.209961 0.708396
C C 0.187559 0.207734 0.693717
O O 0.213268 0.201018 0.696005
CB C 0.186557 0.218492 0.723532
CG C 0.183423 0.235766 0.720186
CD C 0.191344 0.245522 0.736682
OE1 O 0.190769 0.239207 0.751517
OE2 O 0.197396 0.259462 0.73408
N N 0.17502 0.212259 0.678123
CA C 0.190436 0.209019 0.663196
C C 0.219673 0.219541 0.663719
O O 0.220119 0.233362 0.669405
CB C 0.169297 0.212577 0.646178
CG C 0.143208 0.201042 0.641721
CD1 C 0.153244 0.183756 0.641368
CD2 C 0.118002 0.204117 0.653459
N N 0.243834 0.212165 0.659602
CA C 0.273965 0.21914 0.659497
C C 0.273648 0.229038 0.642819
O O 0.278368 0.222899 0.629003
CB C 0.299473 0.206674 0.661131
CG C 0.331455 0.213708 0.6627
SD S 0.359466 0.19832 0.664268
CE C 0.361304 0.191533 0.686567
N N 0.266781 0.244273 0.64457
CA C 0.264885 0.256186 0.630793
C C 0.27669 0.271586 0.639394
O O 0.274491 0.27419 0.654844
CB C 0.231803 0.259415 0.621461
CG1 C 0.219797 0.244262 0.612298
CG2 C 0.209929 0.264811 0.633943
N N 0.288702 0.281402 0.628754
CA C 0.300162 0.297144 0.633813
C C 0.325929 0.29659 0.648923
O O 0.327033 0.305957 0.661471
CB C 0.273595 0.307949 0.636976
CG C 0.253555 0.312414 0.620376
OD1 O 0.266506 0.315902 0.6072
OD2 O 0.225238 0.313051 0.620284
N N 0.345804 0.284854 0.648439
CA C 0.372039 0.283711 0.661798
C C 0.399237 0.293008 0.657092
O O 0.425763 0.28727 0.658334
CB C 0.380119 0.266013 0.665144
CG C 0.387296 0.257777 0.648871
OD1 O 0.381329 0.263869 0.634675
ND2 N 0.399306 0.243343 0.651093
N N 0.393868 0.307819 0.652936
CA C 0.417631 0.318577 0.648099
C C 0.418798 0.333117 0.659863
O O 0.395266 0.338926 0.665
CB C 0.411652 0.323549 0.629277
CG C 0.379239 0.329229 0.622467
CD1 C 0.35394 0.319979 0.618088
CD2 C 0.36902 0.345136 0.620428
NE1 N 0.328396 0.329382 0.612873
CE2 C 0.337235 0.344771 0.614925
CE3 C 0.383757 0.359794 0.622951
CZ2 C 0.320604 0.35818 0.611213
CZ3 C 0.366413 0.37325 0.619775
CH2 C 0.33597 0.372413 0.61371
N N 0.446294 0.338196 0.6647
CA C 0.452681 0.353843 0.67313
C C 0.45283 0.366451 0.659367
O O 0.466367 0.364884 0.646557
CB C 0.484723 0.353019 0.684672
CG C 0.491198 0.367335 0.696619
CD C 0.524466 0.368584 0.705115
NE N 0.527276 0.379354 0.72016
CZ C 0.553064 0.384267 0.729257
NH1 N 0.579649 0.380508 0.724552
NH2 N 0.551432 0.393552 0.743086
N N 0.438479 0.380167 0.662085
CA C 0.43965 0.392492 0.649563
C C 0.471157 0.40021 0.650949
O O 0.490083 0.398548 0.663915
CB C 0.415368 0.404204 0.654034
CG C 0.410253 0.400622 0.672006
CD C 0.419969 0.383996 0.675836
N N 0.474977 0.409695 0.637734
CA C 0.503332 0.418414 0.637028
C C 0.510883 0.429738 0.652256
O O 0.491208 0.437951 0.657589
CB C 0.501875 0.427629 0.620141
N N 0.539667 0.42942 0.65955
CA C 0.551858 0.438693 0.674634
C C 0.570599 0.452538 0.669287
O O 0.581649 0.452361 0.655563
CB C 0.571989 0.428395 0.687325
CG C 0.553897 0.414314 0.69292
CD C 0.527883 0.419015 0.702788
OE1 O 0.532221 0.428347 0.71548
NE2 N 0.500388 0.413984 0.696527
N N 0.575283 0.464073 0.680672
CA C 0.593762 0.477718 0.675941
C C 0.626768 0.4739 0.673614
O O 0.642846 0.465322 0.684437
CB C 0.593151 0.489006 0.691482
CG C 0.568217 0.483563 0.700932
CD C 0.566647 0.466124 0.698057
N N 0.636596 0.480075 0.659615
CA C 0.667288 0.477612 0.655288
C C 0.691138 0.484929 0.668451
O O 0.717133 0.479144 0.671941
CB C 0.669676 0.483244 0.636728
CG C 0.697357 0.476952 0.628715
CD1 C 0.69805 0.459313 0.628101
CD2 C 0.697329 0.483492 0.610298
N N 0.682972 0.498409 0.675418
CA C 0.703876 0.507034 0.688214
C C 0.732397 0.511559 0.680581
O O 0.72938 0.518593 0.666765
CB C 0.70971 0.49868 0.705952
CG C 0.680122 0.497042 0.713389
CD C 0.683677 0.492188 0.732133
CE C 0.655023 0.496559 0.739871
NZ N 0.649965 0.484882 0.7537
N N 0.759654 0.507836 0.688894
CA C 0.787623 0.513798 0.682568
C C 0.801149 0.502133 0.670281
O O 0.826461 0.503982 0.666804
CB C 0.811014 0.518805 0.698279
CG C 0.799961 0.533193 0.707703
OD1 O 0.799258 0.533299 0.723715
ND2 N 0.791156 0.545576 0.697599
N N 0.783239 0.49022 0.663392
CA C 0.795829 0.478425 0.653276
C C 0.792487 0.482526 0.633996
O O 0.772127 0.491752 0.627395
CB C 0.779869 0.462766 0.65572
CG C 0.786581 0.457121 0.674856
CD C 0.767616 0.442357 0.676973
NE N 0.735332 0.446187 0.676516
CZ C 0.713559 0.43557 0.678084
NH1 N 0.720337 0.420476 0.678437
NH2 N 0.685421 0.440036 0.67913
N N 0.811889 0.475232 0.625042
CA C 0.809352 0.47654 0.605998
C C 0.801982 0.46055 0.597632
O O 0.815375 0.448826 0.603658
CB C 0.838904 0.483197 0.600508
CG C 0.848408 0.498998 0.609069
CD C 0.873452 0.507058 0.600652
OE1 O 0.868487 0.51196 0.585515
NE2 N 0.900516 0.508531 0.610442
N N 0.779762 0.46015 0.584169
CA C 0.773484 0.445916 0.573908
C C 0.791347 0.446835 0.558014
O O 0.790275 0.458736 0.549126
CB C 0.738998 0.443724 0.567634
CG1 C 0.719745 0.443724 0.582744
CG2 C 0.734736 0.428677 0.556785
CD1 C 0.68501 0.442381 0.577424
N N 0.809563 0.434687 0.555897
CA C 0.828778 0.434062 0.54225
C C 0.814749 0.422703 0.5285
O O 0.801121 0.410496 0.532826
CB C 0.860501 0.428948 0.5494
CG C 0.877096 0.440943 0.561635
CD C 0.904996 0.433544 0.57217
CE C 0.924534 0.446281 0.582182
NZ N 0.94463 0.439235 0.597109
N N 0.817817 0.426427 0.51203
CA C 0.807471 0.415681 0.497456
C C 0.835456 0.408528 0.490528
O O 0.857872 0.416223 0.489849
CB C 0.787591 0.424494 0.483052
N N 0.833054 0.393635 0.4853
CA C 0.857171 0.385457 0.478137
C C 0.856486 0.388603 0.458962
O O 0.87654 0.382995 0.451315
CB C 0.85331 0.367488 0.480791
OG O 0.828369 0.360949 0.469053
N N 0.833662 0.397464 0.450871
CA C 0.826727 0.398371 0.431657
C C 0.821764 0.415457 0.426441
O O 0.812776 0.4246 0.437107
CB C 0.798366 0.388415 0.425474
CG C 0.770051 0.392904 0.433304
CD1 C 0.765185 0.38713 0.449747
CD2 C 0.748417 0.40292 0.424494
CE1 C 0.739072 0.390536 0.457106
CE2 C 0.721937 0.406407 0.431931
CZ C 0.717327 0.400504 0.448309
N N 0.828081 0.419357 0.410469
CA C 0.829314 0.436171 0.404208
C C 0.797263 0.442039 0.39711
O O 0.776814 0.432 0.393372
CB C 0.850426 0.437562 0.390143
CG C 0.884559 0.435618 0.396744
CD C 0.903622 0.436548 0.381412
CE C 0.937408 0.431729 0.385503
ZN Zn 0.575946 0.270502 0.652674
O1 O 0.661039 0.287022 0.899808
C2 C 0.652918 0.273212 0.900866
C4 C 0.625148 0.27128 0.870385
C5 C 0.645175 0.266602 0.85653
C6 C 0.639563 0.249057 0.852399
C7 C 0.643703 0.245676 0.833093
C8 C 0.683574 0.24511 0.814428
C9 C 0.712294 0.249882 0.811827
N3 N 0.638632 0.264846 0.88709
O7 O 0.675079 0.247855 0.830688
C13 C 0.664673 0.237557 0.800612
C10 C 0.722359 0.247961 0.795579
C11 C 0.70286 0.240951 0.78192
C12 C 0.673998 0.235625 0.784404
C14 C 0.653701 0.228248 0.770823
N15 N 0.648522 0.238347 0.754981
C16 C 0.663198 0.236567 0.740851
O17 O 0.683522 0.226434 0.739962
C18 C 0.655104 0.247019 0.726107
C19 C 0.632011 0.258578 0.725754
C20 C 0.625758 0.267981 0.710736
C21 C 0.641314 0.266484 0.696684
S24 S 0.631139 0.278868 0.678058
O27 O 0.644205 0.271692 0.663745
O25 O 0.645831 0.294716 0.682777
N26 N 0.595798 0.280742 0.675535
C22 C 0.664151 0.255161 0.696057
C23 C 0.670095 0.245687 0.711206
O O 0.553291 0.262089 0.876698
C C 0.560663 0.257164 0.891651
C10 C 0.555656 0.241328 0.896161
N11 N 0.572406 0.234847 0.910382
C7 C 0.567808 0.220024 0.916133
C2 C 0.586176 0.214533 0.931047
N N 0.608338 0.224973 0.938263
C9 C 0.532284 0.232043 0.887011
C8 C 0.526968 0.216619 0.892514
C6 C 0.544923 0.210621 0.907219
C5 C 0.540494 0.195339 0.913205
C4 C 0.558476 0.189824 0.927832
C3 C 0.581184 0.199251 0.936576
OB O 0.504619 0.206992 0.883848
CG C 0.490509 0.20903 0.866137
CD C 0.468277 0.195339 0.861392
CE C 0.484417 0.181376 0.854177
OB O 0.610541 0.325588 0.944275
C8 C 0.603869 0.309869 0.941792
C9 C 0.607197 0.299347 0.955582
C10 C 0.600886 0.283334 0.952327
C C 0.603409 0.272423 0.965973
O O 0.619337 0.275498 0.979789
N11 N 0.591687 0.278279 0.935897
C7 C 0.588401 0.2882 0.921806
C6 C 0.594398 0.30432 0.924407
C5 C 0.591059 0.314559 0.910003
C4 C 0.580862 0.308538 0.893573
C3 C 0.574147 0.292395 0.891102
C2 C 0.578492 0.281932 0.905062
N N 0.572741 0.266296 0.905114
O O 0.500126 0.243696 0.925113
C C 0.500484 0.230393 0.931766
C10 C 0.520571 0.227235 0.947229
N11 N 0.542935 0.237604 0.953477
C7 C 0.56262 0.235307 0.968587
C2 C 0.585231 0.2465 0.974064
N N 0.586315 0.259415 0.963176
C9 C 0.517518 0.213449 0.956706
C8 C 0.536984 0.210574 0.972326
OB O 0.53363 0.197047 0.981776
CG C 0.525997 0.182024 0.974116
CD C 0.496052 0.176521 0.979292
OE2 O 0.472411 0.184628 0.97511
OE1 O 0.496559 0.163949 0.98771
C6 C 0.560026 0.221426 0.978181
C5 C 0.579677 0.218999 0.993814
C4 C 0.60213 0.230004 0.999487
C3 C 0.605118 0.243649 0.989736
OXT O 0.482324 0.220024 0.926015
NA Na 0.517916 0.490055 0.52416
C2 C 0.675155 0.268806 0.93127
C3 C 0.695763 0.281602 0.933766
C4 C 0.713866 0.283664 0.949856
C5 C 0.711735 0.273295 0.963398
C6 C 0.69132 0.260699 0.961424
C8 C 0.688605 0.249882 0.974992
C9 C 0.667636 0.237333 0.972692
C10 C 0.649276 0.235801 0.956575
O O 0.630208 0.211905 0.962261
C C 0.628582 0.223323 0.952667
N11 N 0.652547 0.24643 0.943818
C7 C 0.673058 0.258672 0.945334
N N 0.655766 0.265318 0.915976
OB O 0.706379 0.252227 0.990651
CG C 0.704128 0.2428 1.00588
CD C 0.726192 0.249505 1.02098
CE2 C 0.759055 0.24729 1.01738
N N 0.864282 0.0683296 0.929257
CA C 0.857103 0.0854974 0.926172
C C 0.885817 0.0953009 0.926786
O O 0.910391 0.0908469 0.934982
CB C 0.838298 0.0919074 0.939923
OG O 0.857279 0.0965263 0.955216
N N 0.881975 0.109983 0.919989
CA C 0.906871 0.121377 0.923532
C C 0.913883 0.123828 0.943073
O O 0.892889 0.126337 0.951817
CB C 0.898207 0.137519 0.915258
CG C 0.898848 0.138073 0.895743
ND1 N 0.874334 0.133596 0.883796
CD2 C 0.921274 0.142445 0.88624
CE1 C 0.881675 0.135033 0.867836
NE2 N 0.910101 0.140465 0.869143
N N 0.943328 0.123981 0.949517
CA C 0.952805 0.126314 0.968548
C C 0.985518 0.133018 0.971567
O O 1.00216 0.133572 0.95979
CB C 0.950081 0.110324 0.977789
CG C 0.972285 0.0983645 0.972979
ND1 N 0.967034 0.0889263 0.958261
CD2 C 1.00052 0.0944054 0.981109
CE1 C 0.991514 0.0799477 0.957294
NE2 N 1.0121 0.0830584 0.971018
N N 0.99464 0.137555 0.987579
CA C 1.02458 0.144448 0.993265
C C 1.03088 0.141608 1.01285
O O 1.00968 0.137849 1.02118
CB C 1.02345 0.162405 0.989069
CG C 1.00021 0.170889 0.997905
CD1 C 0.970235 0.173516 0.991435
CD2 C 1.00516 0.1783 1.01453
NE1 N 0.956193 0.181859 1.00289
CE2 C 0.977124 0.184816 1.01751
CE3 C 1.03086 0.179926 1.02734
CZ2 C 0.973967 0.193171 1.03284
CZ3 C 1.02721 0.187762 1.04279
CH2 C 0.999403 0.194207 1.04533
N N 1.05975 0.143423 1.01983
CA C 1.06864 0.142515 1.0386
C C 1.09903 0.149797 1.04432
O O 1.1085 0.161085 1.03636
N N 1.11558 0.142751 1.05801
CA C 1.14579 0.148701 1.06539
C C 1.17134 0.136105 1.06497
O O 1.19701 0.138804 1.07275
CB C 1.14392 0.154357 1.08403
CG C 1.12376 0.168827 1.08455
CD1 C 1.1358 0.183638 1.08173
CD2 C 1.09273 0.167684 1.08632
CE1 C 1.11767 0.197106 1.08229
CE2 C 1.07425 0.180987 1.08627
CZ C 1.08683 0.19568 1.08411
OH O 1.06929 0.209502 1.08402
N N 1.16407 0.12272 1.0561
CA C 1.18595 0.109664 1.05488
C C 1.20721 0.112327 1.04116
O O 1.2057 0.12444 1.03213
N N 1.22749 0.100921 1.0398
CA C 1.25109 0.1021 1.02806
C C 1.23718 0.103855 1.00891
O O 1.24987 0.112198 0.99903
CB C 1.272 0.0874534 1.03001
CG C 1.30039 0.088455 1.02058
CD C 1.32102 0.0738794 1.02328
CE C 1.33595 0.0718881 1.04216
NZ N 1.35538 0.0574303 1.04448
N N 1.21132 0.0960432 1.00397
CA C 1.19816 0.0948767 0.985697
C C 1.17175 0.106778 0.980665
O O 1.16565 0.111491 0.965411
CB C 1.18843 0.0776382 0.981436
CG C 1.2141 0.0657845 0.98554
ND1 N 1.23547 0.0626502 0.974456
CD2 C 1.22181 0.0564288 0.999709
CE1 C 1.25514 0.0519395 0.981593
NE2 N 1.24725 0.0478979 0.996873
N N 1.15651 0.111939 0.993278
CA C 1.13005 0.122531 0.989239
C C 1.13397 0.138662 0.998768
O O 1.11119 0.147747 0.998389
CB C 1.10056 0.114165 0.992912
CG C 1.10039 0.11003 1.01232
OD1 O 1.1209 0.11433 1.0241
ND2 N 1.07591 0.102123 1.01573
N N 1.16212 0.142009 1.00661
CA C 1.16977 0.155677 1.01854
C C 1.17493 0.171066 1.00973
O O 1.17067 0.172256 0.993566
N N 1.18366 0.183567 1.0202
CA C 1.18621 0.19951 1.01328
C C 1.20402 0.201607 0.998206
O O 1.19616 0.211576 0.986808
CB C 1.20159 0.208995 1.02928
CG C 1.19067 0.200959 1.04431
CD C 1.187 0.183697 1.03945
N N 1.22879 0.192735 0.998062
CA C 1.24763 0.193548 0.98371
C C 1.2303 0.188198 0.966182
O O 1.239 0.192452 0.952405
CB C 1.27768 0.183638 0.987945
CG C 1.2736 0.165893 0.989396
CD C 1.26628 0.159495 1.00725
OE1 O 1.2542 0.16799 1.01807
OE2 O 1.27299 0.145237 1.01055
N N 1.20586 0.178854 0.966483
CA C 1.18737 0.172821 0.950588
C C 1.15562 0.181046 0.945765
O O 1.13842 0.177334 0.932354
CB C 1.18227 0.155147 0.952954
CG C 1.2116 0.145921 0.954353
ND1 N 1.23239 0.147523 0.942576
CD2 C 1.22443 0.13574 0.966692
CE1 C 1.25652 0.138568 0.947543
NE2 N 1.25209 0.13118 0.962026
N N 1.14787 0.191627 0.956784
CA C 1.11756 0.19905 0.953386
C C 1.11165 0.207746 0.936184
O O 1.08562 0.208229 0.92825
CB C 1.11263 0.209973 0.968692
CG C 1.10853 0.201996 0.985397
CD1 C 1.10526 0.185912 0.988364
CD2 C 1.10903 0.209407 1.0018
NE1 N 1.10302 0.18312 1.00542
CE2 C 1.10428 0.197495 1.01405
CE3 C 1.1106 0.22522 1.00724
CZ2 C 1.10337 0.200853 1.03158
CZ3 C 1.10993 0.22839 1.02434
CH2 C 1.1049 0.216595 1.03639
N N 1.13606 0.214415 0.930551
CA C 1.1349 0.222875 0.914225
C C 1.12047 0.213225 0.898501
O O 1.10868 0.220036 0.885312
CB C 1.16671 0.229132 0.911428
CG C 1.18845 0.216418 0.907245
ND1 N 1.19025 0.211693 0.890331
CD2 C 1.20765 0.206792 0.917663
CE1 C 1.21006 0.199863 0.890423
NE2 N 1.22125 0.196847 0.90684
N N 1.12185 0.197566 0.899429
CA C 1.11046 0.187727 0.884188
C C 1.07583 0.189659 0.879038
O O 1.06539 0.192346 0.863758
CB C 1.11783 0.170547 0.888253
CG C 1.15241 0.167071 0.890475
CD C 1.15958 0.149538 0.890723
CE C 1.1935 0.146698 0.897037
NZ N 1.1987 0.131522 0.906683
N N 1.05824 0.188316 0.89186
CA C 1.02495 0.191002 0.888919
C C 1.01523 0.208229 0.891847
O O 0.989129 0.21253 0.885325
CB C 1.00824 0.180421 0.900513
CG C 1.00631 0.163065 0.895141
OD1 O 1.01591 0.158458 0.881822
OD2 O 0.994453 0.153792 0.904827
N N 1.0358 0.217573 0.901703
CA C 1.02904 0.233763 0.906278
C C 1.05488 0.244603 0.902356
O O 1.07554 0.248657 0.914133
CB C 1.02548 0.234635 0.925727
CG C 1.00114 0.223759 0.930433
CD1 C 0.970552 0.227754 0.927387
CD2 C 1.00917 0.20863 0.936799
CE1 C 0.947735 0.217349 0.931622
CE2 C 0.986783 0.198025 0.940472
CZ C 0.955872 0.202408 0.938066
N N 1.05413 0.249104 0.886057
CA C 1.08041 0.257447 0.880724
C C 1.08664 0.273566 0.889246
O O 1.11237 0.279457 0.889913
CB C 1.07204 0.259462 0.860921
CG C 1.04135 0.252368 0.85602
CD C 1.03317 0.243119 0.871025
N N 1.06379 0.280153 0.896305
CA C 1.06791 0.294669 0.906199
CA C 1.06783 0.294928 0.906121
C C 1.09125 0.292902 0.922656
O O 1.10158 0.304661 0.930943
CB C 1.03733 0.300938 0.911075
CB C 1.03712 0.301397 0.91097
CG1 C 1.04019 0.318659 0.915088
CG1 C 1.0386 0.319378 0.915075
CG2 C 1.02676 0.291429 0.925858
CG2 C 1.02688 0.291995 0.925884
CD1 C 1.01034 0.326589 0.916486
CD1 C 1.04909 0.330195 0.901206
N N 1.0992 0.278256 0.927727
CA C 1.12442 0.275227 0.941988
C C 1.15396 0.284147 0.940145
O O 1.1719 0.287046 0.953346
CB C 1.132 0.257777 0.942916
N N 1.15939 0.287729 0.924067
CA C 1.1856 0.296932 0.920264
C C 1.17697 0.314076 0.915741
O O 1.19354 0.3219 0.907559
CB C 1.19988 0.288896 0.905245
CG C 1.21368 0.272788 0.910474
CD C 1.23097 0.265318 0.896592
CE C 1.24405 0.248786 0.902422
NZ N 1.27729 0.248244 0.90965
N N 1.15163 0.31959 0.920996
CA C 1.14043 0.335698 0.917349
C C 1.15844 0.348494 0.927806
O O 1.18179 0.345831 0.938171
N N 1.1473 0.362704 0.924172
CA C 1.16271 0.376891 0.931243
C C 1.15601 0.381392 0.94953
O O 1.1722 0.391337 0.957764
CB C 1.15352 0.390536 0.91829
CG C 1.16295 0.387237 0.900134
CD C 1.19749 0.385057 0.901219
OE1 O 1.21463 0.39605 0.907415
OE2 O 1.20815 0.37252 0.89603
N N 1.13262 0.37457 0.955843
CA C 1.12381 0.37913 0.97277
C C 1.11883 0.364802 0.983946
O O 1.09512 0.363553 0.990063
CB C 1.09508 0.389499 0.970195
CG C 1.09857 0.403697 0.959215
CD C 1.07393 0.415775 0.961581
NE N 1.04255 0.409518 0.957791
CZ C 1.02615 0.408776 0.941805
NH1 N 1.03817 0.413194 0.927401
NH2 N 0.997468 0.403202 0.9397
N N 1.14062 0.353667 0.985436
CA C 1.13595 0.338926 0.994507
C C 1.14609 0.340658 1.01469
O O 1.16713 0.349378 1.02023
CB C 1.15256 0.325458 0.987436
CG C 1.13838 0.320769 0.969149
CD C 1.10855 0.312591 0.970064
OE1 O 1.10824 0.299524 0.976744
NE2 N 1.08298 0.320474 0.963842
N N 1.13204 0.331079 1.02478
CA C 1.13783 0.330831 1.04386
C C 1.14446 0.313864 1.05005
O O 1.1361 0.30234 1.04086
CB C 1.11003 0.336499 1.05164
OG O 1.10402 0.352642 1.04691
N N 1.16047 0.311861 1.06576
CA C 1.17276 0.324292 1.0777
C C 1.20226 0.331668 1.07287
O O 1.21378 0.327179 1.06005
CB C 1.17973 0.315207 1.09489
CG C 1.19154 0.299771 1.08923
CD C 1.17047 0.296342 1.07199
N N 1.21506 0.343027 1.08364
CA C 1.24407 0.350532 1.08148
C C 1.2638 0.35184 1.09948
O O 1.25239 0.350344 1.11341
CB C 1.24021 0.367005 1.07347
CG1 C 1.22209 0.36598 1.05523
CG2 C 1.22447 0.377857 1.08496
N N 1.29351 0.354103 1.09901
CA C 1.31349 0.35792 1.11518
C C 1.31092 0.375831 1.11809
O O 1.31263 0.384915 1.10613
CB C 1.3468 0.354303 1.11402
CG C 1.36758 0.358863 1.13096
OD1 O 1.3636 0.353066 1.14552
OD2 O 1.38844 0.368301 1.12975
N N 1.30886 0.380414 1.13414
CA C 1.30624 0.397276 1.13868
C C 1.33833 0.401824 1.14754
O O 1.34789 0.396321 1.16208
CB C 1.282 0.399679 1.15105
CG1 C 1.24946 0.393882 1.14247
CG2 C 1.28083 0.416588 1.15746
CD1 C 1.22623 0.391808 1.15506
N N 1.35391 0.411509 1.13886
CA C 1.38349 0.418367 1.14651
C C 1.37772 0.433956 1.15604
O O 1.36758 0.445374 1.14796
CB C 1.40251 0.420983 1.13214
CG C 1.43476 0.42658 1.13885
OD1 O 1.43983 0.434286 1.15272
OD2 O 1.45471 0.423705 1.12952
N N 1.38327 0.433768 1.17332
CA C 1.37422 0.447094 1.18411
C C 1.39307 0.461564 1.1823
O O 1.38488 0.474278 1.18733
CB C 1.37649 0.443053 1.20337
OG1 O 1.40797 0.440083 1.21006
CG2 C 1.35661 0.428831 1.20634
N N 1.41851 0.45969 1.17507
CA C 1.43725 0.472934 1.17094
C C 1.42967 0.479886 1.15264
O O 1.44269 0.492011 1.14911
CB C 1.4708 0.467903 1.17329
CG C 1.48182 0.462176 1.19134
ND1 N 1.48346 0.446364 1.19557
CD2 C 1.49047 0.470106 1.20636
CE1 C 1.49341 0.44482 1.21239
NE2 N 1.49782 0.459054 1.21922
N N 1.41001 0.472263 1.14088
CA C 1.39962 0.479179 1.12391
C C 1.36493 0.48183 1.12024
O O 1.35444 0.49075 1.10847
CB C 1.4085 0.46927 1.10862
OG1 O 1.39274 0.454659 1.10809
CG2 C 1.44321 0.466583 1.11032
N N 1.34687 0.474501 1.13013
CA C 1.31426 0.478484 1.12879
C C 1.31142 0.496653 1.13194
O O 1.33006 0.503829 1.14188
CB C 1.29756 0.467997 1.14061
N N 1.28988 0.504006 1.1214
CA C 1.28844 0.520714 1.12052
C C 1.26599 0.526629 1.13279
O O 1.23942 0.522093 1.13133
CB C 1.28255 0.525109 1.10081
CG C 1.28182 0.542584 1.09645
CD C 1.24971 0.548887 1.09757
CE C 1.24619 0.566656 1.09441
NZ N 1.21695 0.572501 1.10008
N N 1.27738 0.536445 1.14565
CA C 1.25749 0.544598 1.15684
C C 1.23437 0.554744 1.14531
O O 1.24302 0.564052 1.13467
CB C 1.27664 0.555026 1.17046
CG C 1.25971 0.564182 1.18285
CD1 C 1.23567 0.557524 1.1909
CD2 C 1.26679 0.579912 1.18647
CE1 C 1.22053 0.566044 1.20219
CE2 C 1.25174 0.588007 1.19796
CZ C 1.22832 0.581232 1.20556
OH O 1.21453 0.590635 1.21683
N N 1.20531 0.552493 1.14742
CA C 1.18026 0.561319 1.138
C C 1.15904 0.566915 1.15029
O O 1.13721 0.558891 1.15293
CB C 1.16244 0.55115 1.1233
CG C 1.13853 0.561165 1.11152
OD1 O 1.13487 0.57494 1.11616
OD2 O 1.12396 0.554461 1.09823
N N 1.16494 0.580961 1.1581
CA C 1.14515 0.586923 1.17029
C C 1.11393 0.592791 1.16154
O O 1.09583 0.597445 1.17051
CB C 1.16376 0.599943 1.17955
CG C 1.18235 0.6064 1.16595
CD C 1.19011 0.591813 1.15613
N N 1.10716 0.591943 1.14407
CA C 1.07575 0.594735 1.13582
C C 1.05565 0.580631 1.13777
O O 1.02748 0.581738 1.1337
CB C 1.07443 0.598435 1.116
OG O 1.07918 0.584873 1.10582
N N 1.06936 0.566868 1.14207
CA C 1.0503 0.553235 1.14485
C C 1.0327 0.555392 1.16022
O O 1.04628 0.55908 1.17447
CB C 1.06948 0.538813 1.14894
CG C 1.08248 0.531519 1.13388
CD1 C 1.10682 0.520102 1.14128
CD2 C 1.05762 0.523248 1.12107
N N 1.00291 0.552363 1.15754
CA C 0.983944 0.554284 1.17129
C C 0.987647 0.540663 1.18485
O O 0.997834 0.527713 1.18141
CB C 0.950554 0.555851 1.16295
CG C 0.944625 0.569814 1.15054
CD C 0.919005 0.567245 1.13537
CE C 0.913335 0.582481 1.12433
NZ N 0.89548 0.594464 1.13282
N N 0.979421 0.543373 1.20052
CA C 0.978175 0.53027 1.21273
C C 0.95503 0.517957 1.20482
O O 0.9312 0.522022 1.19546
CB C 0.967636 0.538318 1.22908
CG C 0.972552 0.555462 1.22666
CD C 0.96919 0.558432 1.20739
N N 0.961881 0.503158 1.20862
CA C 0.940894 0.490597 1.20253
C C 0.914357 0.490491 1.21316
O O 0.919221 0.492977 1.22901
CB C 0.958704 0.47535 1.20538
CG C 0.949936 0.461222 1.19457
CD1 C 0.950032 0.46491 1.17534
CD2 C 0.972432 0.44806 1.20081
N N 0.886328 0.488995 1.20485
CA C 0.85957 0.487097 1.21426
C C 0.848691 0.470012 1.21231
O O 0.838053 0.464615 1.19813
CB C 0.834738 0.498951 1.20717
OG O 0.807449 0.495852 1.21388
N N 0.853218 0.46134 1.22656
CA C 0.844279 0.444726 1.22675
C C 0.815941 0.44469 1.23592
O O 0.818717 0.44687 1.25177
CB C 0.869309 0.435323 1.23705
CG1 C 0.858755 0.418485 1.23895
CG2 C 0.898433 0.435759 1.22862
N N 0.788784 0.442334 1.22631
CA C 0.759954 0.441226 1.2335
C C 0.7475 0.424612 1.23275
O O 0.72993 0.420182 1.21976
CB C 0.735711 0.452302 1.22422
OG O 0.748328 0.467361 1.2245
N N 0.755433 0.415822 1.24682
CA C 0.747119 0.39922 1.24735
C C 0.726564 0.395567 1.2608
O O 0.722582 0.381793 1.26485
CB C 0.77629 0.38924 1.2516
CG C 0.797246 0.387048 1.23764
CD1 C 0.78995 0.392233 1.22053
CD2 C 0.82421 0.378517 1.24148
CE1 C 0.809592 0.389664 1.2083
CE2 C 0.843504 0.375783 1.22941
CZ C 0.836271 0.380827 1.21247
OH O 0.855829 0.377763 1.20055
N N 0.712139 0.407562 1.26702
CA C 0.693715 0.405842 1.28123
C C 0.666842 0.39486 1.27672
O O 0.65949 0.386435 1.28816
CB C 0.682778 0.421937 1.28714
CG C 0.70891 0.431776 1.29711
OD1 O 0.736076 0.426439 1.30028
OD2 O 0.702046 0.44502 1.30221
N N 0.653655 0.3942 1.26012
CA C 0.627499 0.383867 1.25453
C C 0.63529 0.369574 1.24418
O O 0.61457 0.362033 1.23606
CB C 0.602455 0.393387 1.24398
CG C 0.591563 0.407279 1.25418
CD C 0.576859 0.402177 1.2699
OE1 O 0.561711 0.389911 1.26956
NE2 N 0.581366 0.411509 1.28387
N N 0.66494 0.365143 1.24529
CA C 0.673914 0.35197 1.23533
C C 0.656903 0.337277 1.23917
O O 0.653514 0.333471 1.25438
CB C 0.708206 0.349048 1.23897
N N 0.646274 0.328757 1.22512
CA C 0.627868 0.314795 1.22615
C C 0.642178 0.301138 1.21773
O O 0.636938 0.298687 1.20163
CB C 0.594297 0.317858 1.21743
OG1 O 0.581915 0.331102 1.22547
CG2 C 0.574029 0.303353 1.21884
N N 0.660431 0.291924 1.22854
CA C 0.673923 0.277666 1.22231
C C 0.649355 0.265094 1.21843
O O 0.627564 0.264222 1.22697
CB C 0.700689 0.27141 1.23533
OG O 0.69103 0.266331 1.25099
N N 0.652818 0.255561 1.20524
CA C 0.63146 0.24293 1.20026
C C 0.64407 0.226116 1.20214
O O 0.628591 0.215216 1.20841
CB C 0.617169 0.245428 1.18121
CG C 0.59969 0.261076 1.17728
CD1 C 0.590287 0.263055 1.15761
CD2 C 0.572037 0.261524 1.18703
N N 0.670152 0.223441 1.19589
CA C 0.68223 0.207569 1.19525
C C 0.71624 0.20797 1.19504
O O 0.729538 0.220436 1.19162
CB C 0.666176 0.198767 1.1791
CG C 0.673953 0.204906 1.16172
CD C 0.654471 0.196976 1.14604
NE N 0.623131 0.203104 1.1445
CZ C 0.613589 0.21722 1.13816
NH1 N 0.632684 0.227836 1.13239
NH2 N 0.584281 0.220931 1.13791
N N 0.730425 0.194443 1.19963
CA C 0.762604 0.192016 1.19831
C C 0.765471 0.17724 1.187
O O 0.749334 0.165398 1.18842
CB C 0.78154 0.190578 1.21647
CG1 C 0.815917 0.191544 1.21513
CG2 C 0.773535 0.175814 1.22611
CD1 C 0.835845 0.193076 1.23288
N N 0.784152 0.178088 1.17531
CA C 0.787788 0.165068 1.16399
C C 0.819317 0.162806 1.15984
O O 0.836924 0.173681 1.15936
CB C 0.766462 0.167024 1.14694
CG C 0.771312 0.181576 1.13643
CD1 C 0.790377 0.178147 1.12187
CD2 C 0.740116 0.188446 1.12911
N N 0.826488 0.148042 1.15651
CA C 0.854778 0.143682 1.15086
C C 0.849388 0.141655 1.13118
O O 0.832239 0.131357 1.12443
CB C 0.865844 0.127999 1.15979
CG C 0.895848 0.122201 1.15457
OD1 O 0.903869 0.125477 1.14033
ND2 N 0.912634 0.112964 1.16618
N N 0.863381 0.1518 1.12209
CA C 0.858549 0.151541 1.10275
C C 0.882697 0.142539 1.09476
O O 0.883583 0.142751 1.07895
CB C 0.853793 0.168332 1.09592
CG C 0.882059 0.178618 1.09961
OD1 O 0.90784 0.17288 1.10306
ND2 N 0.877182 0.193972 1.09905
N N 0.903233 0.134456 1.10544
CA C 0.928567 0.125996 1.09881
C C 0.956489 0.135516 1.09753
O O 0.979231 0.129165 1.09345
N N 0.955201 0.150952 1.10127
CA C 0.981435 0.161356 1.101
C C 0.988516 0.1705 1.11845
O O 1.01466 0.174294 1.1237
CB C 0.975281 0.173257 1.0864
CG C 0.96867 0.165869 1.06892
ND1 N 0.940457 0.166588 1.05859
CD2 C 0.987148 0.157256 1.05999
CE1 C 0.94205 0.158623 1.04403
NE2 N 0.969758 0.152507 1.0448
N N 0.964939 0.174353 1.12645
CA C 0.967436 0.182448 1.1437
C C 0.93743 0.179891 1.15043
O O 0.918729 0.169982 1.14327
CB C 0.974022 0.19991 1.14182
N N 0.932006 0.187856 1.16453
CA C 0.901371 0.187609 1.16967
C C 0.889259 0.204576 1.16883
O O 0.90606 0.215511 1.17374
CB C 0.900591 0.179526 1.18717
CG C 0.918582 0.187538 1.2026
CD1 C 0.905779 0.199404 1.21125
CD2 C 0.948807 0.18319 1.2087
CE1 C 0.922915 0.207228 1.22518
CE2 C 0.965458 0.190696 1.22222
CZ C 0.952586 0.20288 1.23067
N N 0.859845 0.206379 1.16233
CA C 0.84478 0.221874 1.1611
C C 0.822143 0.222333 1.17371
O O 0.804499 0.211422 1.1747
CB C 0.82791 0.224666 1.14294
CG C 0.849251 0.226328 1.12936
OD1 O 0.877079 0.226351 1.13331
ND2 N 0.836198 0.22674 1.11285
N N 0.820791 0.236108 1.18223
CA C 0.795353 0.240255 1.19119
C C 0.776066 0.251979 1.17908
O O 0.787682 0.264363 1.17469
CB C 0.805918 0.24782 1.20907
CG1 C 0.778623 0.254407 1.2167
CG2 C 0.823041 0.235719 1.22113
N N 0.747572 0.247537 1.1732
CA C 0.727005 0.257023 1.16068
C C 0.705807 0.266802 1.16971
O O 0.695552 0.261642 1.18201
CB C 0.70899 0.245711 1.14715
CG C 0.73028 0.237015 1.13669
CD C 0.713393 0.226363 1.12247
OE1 O 0.688101 0.220896 1.12432
OE2 O 0.725166 0.224219 1.10883
N N 0.698263 0.281072 1.16261
CA C 0.677934 0.29236 1.16987
C C 0.650469 0.296166 1.15706
O O 0.650292 0.294021 1.14126
CB C 0.696094 0.307689 1.17438
CG C 0.719938 0.305887 1.18989
CD1 C 0.747996 0.298911 1.18832
CD2 C 0.714119 0.310824 1.20596
CE1 C 0.769871 0.296932 1.20262
CE2 C 0.73616 0.308656 1.22077
CZ C 0.763777 0.301668 1.21896
N N 0.626805 0.301657 1.16393
CA C 0.599393 0.308196 1.15325
C C 0.608771 0.32441 1.14642
O O 0.614306 0.335615 1.15671
CB C 0.574004 0.309846 1.16451
CG C 0.543682 0.315784 1.1538
OD1 O 0.545419 0.322607 1.13975
OD2 O 0.519018 0.312391 1.15857
N N 0.610419 0.32527 1.12932
CA C 0.618985 0.339657 1.1206
C C 0.591751 0.346844 1.10867
O O 0.596246 0.355151 1.09629
CB C 0.645195 0.336499 1.11032
CG C 0.636478 0.325352 1.09467
OD1 O 0.613811 0.316939 1.0942
OD2 O 0.652147 0.325541 1.08291
N N 0.564433 0.343357 1.11268
CA C 0.535891 0.348942 1.10221
C C 0.529081 0.366004 1.10639
O O 0.510646 0.373486 1.09663
CB C 0.508909 0.338066 1.10477
OG O 0.501312 0.339233 1.12195
N N 0.543732 0.371942 1.12123
CA C 0.54027 0.388061 1.12709
C C 0.57145 0.393753 1.13605
O O 0.592602 0.384279 1.1395
CB C 0.517405 0.388203 1.14075
CG C 0.486096 0.381534 1.13314
CD C 0.461633 0.38118 1.14505
OE1 O 0.468 0.382146 1.16073
NE2 N 0.432767 0.379636 1.13722
N N 0.57354 0.408941 1.14073
CA C 0.602221 0.41607 1.14959
C C 0.609061 0.412346 1.16917
O O 0.615826 0.422845 1.17967
CB C 0.602263 0.434168 1.14691
CG C 0.605175 0.438952 1.12788
OD1 O 0.613618 0.428913 1.1176
OD2 O 0.598577 0.452609 1.12314
N N 0.610993 0.397276 1.17376
CA C 0.616254 0.392327 1.19205
C C 0.649737 0.393104 1.20011
O O 0.656933 0.394672 1.21585
CB C 0.60508 0.375418 1.19334
CG C 0.569435 0.373851 1.18954
CD C 0.561139 0.356377 1.18796
CE C 0.526479 0.353019 1.18448
NZ N 0.514823 0.35785 1.20081
N N 0.670003 0.390654 1.18936
CA C 0.70279 0.390394 1.19545
C C 0.717533 0.397405 1.18065
O O 0.717155 0.390147 1.16677
CB C 0.712743 0.373816 1.19923
N N 0.729401 0.411828 1.18323
CA C 0.740828 0.420241 1.16908
C C 0.77142 0.427888 1.1752
O O 0.778987 0.431564 1.19078
CB C 0.718354 0.43312 1.16094
CG1 C 0.687111 0.425767 1.1538
CG2 C 0.713471 0.446022 1.17388
N N 0.788216 0.430197 1.16235
CA C 0.816696 0.438881 1.1637
C C 0.811232 0.453551 1.15209
O O 0.799099 0.452797 1.13668
CB C 0.841321 0.427805 1.1582
CG C 0.874589 0.432342 1.16021
CD1 C 0.886188 0.432731 1.17976
CD2 C 0.892757 0.420229 1.15179
N N 0.820279 0.467278 1.15959
CA C 0.818566 0.48229 1.14992
C C 0.847632 0.491599 1.1563
O O 0.865556 0.486732 1.16887
CB C 0.791857 0.492211 1.15439
CG C 0.760764 0.484623 1.15112
CD C 0.736686 0.493649 1.15959
CE C 0.724446 0.506822 1.14774
NZ N 0.705068 0.518075 1.15622
N N 0.851552 0.505019 1.14799
CA C 0.878561 0.514776 1.15259
C C 0.907504 0.50727 1.14778
O O 0.907295 0.498008 1.13518
N N 0.933447 0.511524 1.15753
CA C 0.962617 0.506068 1.15339
C C 0.965875 0.512136 1.13505
O O 0.959806 0.526347 1.13119
N N 0.97462 0.501862 1.12365
CA C 0.976726 0.505491 1.10543
C C 0.946718 0.502769 1.09347
O O 0.94602 0.504619 1.07786
CB C 1.00056 0.493555 1.1006
CG C 0.993821 0.479356 1.1108
CD C 0.984886 0.485507 1.1276
N N 0.922195 0.498374 1.10036
CA C 0.894763 0.493437 1.0894
C C 0.871853 0.506186 1.08505
O O 0.869509 0.516979 1.09522
CB C 0.878169 0.480735 1.09862
CG C 0.898205 0.466784 1.10586
CD1 C 0.882173 0.456909 1.11849
CD2 C 0.907266 0.456697 1.09131
N N 0.855191 0.504607 1.06968
CA C 0.829452 0.51487 1.06355
CA C 0.829285 0.514575 1.06342
C C 0.801126 0.504466 1.0637
O O 0.797905 0.492612 1.05504
CB C 0.831992 0.521115 1.04505
CB C 0.831415 0.51976 1.04473
CG C 0.854877 0.535337 1.04482
CG C 0.805011 0.530223 1.03733
OD1 O 0.857901 0.545836 1.05657
OD1 O 0.787653 0.535549 1.04743
OD2 O 0.869399 0.536291 1.03205
OD2 O 0.801753 0.533063 1.02135
N N 0.780766 0.508908 1.07378
CA C 0.752353 0.4998 1.07348
C C 0.75486 0.487616 1.08811
O O 0.777085 0.487793 1.10016
N N 0.733001 0.476929 1.08655
CA C 0.7286 0.466289 1.10019
C C 0.734718 0.449616 1.09453
O O 0.722516 0.444443 1.08025
CB C 0.696478 0.467962 1.10489
OG1 O 0.693173 0.483951 1.11036
CG2 C 0.691218 0.456957 1.12016
N N 0.752791 0.441391 1.1062
CA C 0.761634 0.424883 1.10226
C C 0.751146 0.413866 1.11549
O O 0.759838 0.415516 1.13132
CB C 0.796199 0.42334 1.1022
CG C 0.80918 0.430751 1.08667
CD1 C 0.809463 0.447165 1.08462
CD2 C 0.820948 0.421525 1.07415
CE1 C 0.822598 0.45407 1.07088
CE2 C 0.833071 0.428336 1.05978
CZ C 0.834059 0.444738 1.05822
OH O 0.846881 0.450806 1.04431
N N 0.732664 0.402354 1.10944
CA C 0.71842 0.391643 1.1209
C C 0.736937 0.376655 1.12443
O O 0.745754 0.369338 1.11267
CB C 0.687428 0.385634 1.11205
CG C 0.662196 0.39638 1.11205
CD C 0.632589 0.388061 1.10569
NE N 0.610545 0.400021 1.10221
CZ C 0.585688 0.399196 1.09083
NH1 N 0.577404 0.385434 1.08253
NH2 N 0.56832 0.411887 1.08812
N N 0.741599 0.371989 1.14106
CA C 0.756719 0.357426 1.14652
C C 0.737559 0.343109 1.13953
O O 0.711283 0.340847 1.14306
CB C 0.762317 0.356483 1.1668
CG C 0.778994 0.341966 1.1747
CD1 C 0.811923 0.340576 1.17072
CD2 C 0.778218 0.341306 1.19441
N N 0.751598 0.332893 1.13035
CA C 0.736859 0.318129 1.12344
C C 0.750389 0.303436 1.13366
O O 0.733547 0.292266 1.13678
CB C 0.735939 0.316821 1.10347
CG1 C 0.719103 0.301515 1.09651
CG2 C 0.767626 0.317222 1.09751
CD1 C 0.709153 0.301574 1.07674
N N 0.78037 0.303766 1.13922
CA C 0.795323 0.289885 1.14808
C C 0.826637 0.294634 1.15627
O O 0.839728 0.306358 1.15112
CB C 0.79742 0.276111 1.13535
CG C 0.814677 0.280494 1.11977
CD C 0.845147 0.272776 1.11984
OE1 O 0.862523 0.270526 1.13383
NE2 N 0.85244 0.268358 1.10425
N N 0.839892 0.284654 1.1683
CA C 0.872446 0.285184 1.17427
C C 0.885566 0.268464 1.17448
O O 0.868849 0.256893 1.17584
CB C 0.881831 0.293892 1.19187
CG C 0.873778 0.285867 1.2077
CD1 C 0.891435 0.273436 1.21524
CD2 C 0.850851 0.291629 1.21643
CE1 C 0.88351 0.265836 1.23018
CE2 C 0.843948 0.284394 1.23165
CZ C 0.860237 0.271433 1.2385
N N 0.915222 0.267828 1.17391
CA C 0.932272 0.253134 1.17432
C C 0.965902 0.25694 1.18072
O O 0.974371 0.270997 1.18312
CB C 0.929744 0.245346 1.15627
CG C 0.943133 0.255314 1.14312
ND1 N 0.925746 0.266249 1.1329
CD2 C 0.971564 0.256339 1.13893
CE1 C 0.943713 0.274096 1.12354
NE2 N 0.972027 0.268087 1.12658
N N 0.983838 0.244485 1.18428
CA C 1.0162 0.245947 1.18945
C C 1.03497 0.23731 1.17757
O O 1.02336 0.226269 1.16853
CB C 1.02482 0.239478 1.20813
CG C 1.00787 0.246712 1.22158
CD1 C 0.978916 0.241681 1.22394
CD2 C 1.0219 0.258566 1.23283
CE1 C 0.963272 0.247867 1.23667
CE2 C 1.00629 0.264375 1.24627
CZ C 0.977235 0.259155 1.24805
N N 1.06448 0.241823 1.17836
CA C 1.08762 0.232102 1.17179
C C 1.11287 0.229144 1.18746
O O 1.1199 0.239867 1.19822
CB C 1.10169 0.240491 1.1572
CG C 1.07808 0.246029 1.14277
ND1 N 1.07217 0.237946 1.12728
CD2 C 1.05836 0.258437 1.14153
CE1 C 1.05049 0.245192 1.11694
NE2 N 1.04099 0.257246 1.12545
N N 1.1269 0.215099 1.18815
CA C 1.14942 0.211198 1.20317
C C 1.17278 0.199156 1.19847
O O 1.17014 0.193159 1.18357
CB C 1.13346 0.20579 1.21841
CG C 1.11582 0.190991 1.21437
CD1 C 1.12631 0.176097 1.21687
CD2 C 1.08446 0.189695 1.20664
NE1 N 1.10351 0.165669 1.21203
CE2 C 1.07754 0.173493 1.20529
CE3 C 1.06203 0.2005 1.20077
CZ2 C 1.0487 0.16779 1.19912
CZ3 C 1.03399 0.195126 1.19376
CH2 C 1.0269 0.178783 1.19324
N N 1.19626 0.196635 1.21085
CA C 1.22246 0.187173 1.20756
C C 1.22324 0.171348 1.21636
O O 1.20378 0.167672 1.22584
N N 1.2454 0.162099 1.2127
CA C 1.25268 0.147005 1.22125
C C 1.27372 0.14942 1.23871
O O 1.27823 0.13858 1.24861
CB C 1.26818 0.136141 1.20919
OG O 1.29298 0.143269 1.20305
N N 1.28737 0.163265 1.24114
CA C 1.30843 0.167554 1.25671
C C 1.30154 0.18431 1.2613
O O 1.28894 0.193606 1.25012
CB C 1.34155 0.167837 1.25286
CG C 1.35404 0.153061 1.24548
CD1 C 1.38466 0.156655 1.23933
CD2 C 1.35738 0.140194 1.2594
N N 1.30972 0.188634 1.27785
CA C 1.3022 0.204694 1.28323
C C 1.31661 0.217632 1.27326
O O 1.30509 0.231489 1.27288
CB C 1.31318 0.207027 1.30294
CG C 1.29518 0.197259 1.31494
OD1 O 1.27037 0.190566 1.30862
OD2 O 1.30592 0.196753 1.33145
N N 1.34264 0.213873 1.26696
CA C 1.36105 0.225633 1.25917
C C 1.34924 0.229686 1.24019
O O 1.36251 0.239171 1.23226
N N 1.32334 0.22297 1.23335
CA C 1.30866 0.226705 1.21537
C C 1.27409 0.224537 1.21388
O O 1.26259 0.217443 1.22504
CB C 1.32135 0.215759 1.20241
CG C 1.3137 0.198367 1.20422
CD C 1.33501 0.187774 1.19526
OE1 O 1.36295 0.189895 1.19779
NE2 N 1.32206 0.177169 1.18405
N N 1.2578 0.230381 1.19941
CA C 1.22482 0.229321 1.19641
C C 1.20892 0.24379 1.18862
O O 1.18436 0.242376 1.17865
N N 1.22184 0.25793 1.19275
CA C 1.20821 0.272011 1.1844
C C 1.21231 0.273142 1.16503
O O 1.23209 0.265459 1.15859
CB C 1.21843 0.287152 1.19455
OG O 1.24966 0.290875 1.19313
N N 1.19067 0.281908 1.15533
CA C 1.19172 0.284795 1.13705
C C 1.20911 0.299653 1.1352
O O 1.23213 0.299218 1.1279
CB C 1.15861 0.285573 1.12732
CG C 1.14228 0.269913 1.12869
CD C 1.11736 0.266885 1.1132
OE1 O 1.09575 0.276453 1.11034
OE2 O 1.12044 0.255373 1.10403
N N 1.19882 0.312803 1.142
CA C 1.21841 0.32686 1.14288
C C 1.24574 0.324174 1.15655
O O 1.24427 0.314583 1.1684
CB C 1.20046 0.341495 1.14706
CG C 1.17511 0.345548 1.13258
ND1 N 1.146 0.339727 1.13165
CD2 C 1.17544 0.354727 1.11816
CE1 C 1.12916 0.344971 1.11722
NE2 N 1.14658 0.35415 1.10889
N N 1.27079 0.332328 1.15464
CA C 1.29777 0.332057 1.1678
C C 1.30651 0.349437 1.17184
O O 1.29783 0.359723 1.16121
CB C 1.32418 0.323031 1.16104
OG1 O 1.33156 0.330006 1.14533
CG2 C 1.31567 0.305722 1.15787
N N 1.32408 0.352159 1.18682
CA C 1.33349 0.368113 1.19234
C C 1.36854 0.367665 1.19609
O O 1.38165 0.359829 1.20818
CB C 1.3199 0.373486 1.20862
CG1 C 1.32953 0.390006 1.21333
CG2 C 1.28474 0.372944 1.20534
N N 1.38319 0.375901 1.18519
CA C 1.41643 0.375006 1.18575
C C 1.42764 0.357861 1.18568
O O 1.44984 0.35382 1.19579
CB C 1.43143 0.383737 1.2013
CG C 1.42506 0.401494 1.20038
OD1 O 1.42012 0.407762 1.1861
OD2 O 1.4255 0.409141 1.21422
N N 1.41053 0.34847 1.1748
CA C 1.4148 0.331597 1.17243
C C 1.4082 0.320886 1.18721
O O 1.41072 0.306582 1.18521
CB C 1.4471 0.328121 1.16791
CG C 1.45416 0.337194 1.15199
CD C 1.43266 0.333506 1.13548
CE C 1.43339 0.316539 1.12966
NZ N 1.4652 0.311036 1.12899
N N 1.39994 0.327544 1.20134
CA C 1.39088 0.3184 1.21586
C C 1.35945 0.311001 1.21034
O O 1.33881 0.319119 1.20265
CB C 1.38868 0.3293 1.23124
CG C 1.38109 0.322018 1.24852
CD C 1.37819 0.334849 1.26257
CE C 1.37915 0.328545 1.28117
NZ N 1.3585 0.314818 1.2825
N N 1.35636 0.295753 1.21394
CA C 1.32748 0.287034 1.2113
C C 1.31564 0.284654 1.22839
O O 1.33285 0.281908 1.24194
CB C 1.33193 0.270915 1.20329
CG C 1.34205 0.271374 1.185
CD C 1.35213 0.255397 1.17978
CE C 1.35152 0.254065 1.16006
NZ N 1.38215 0.254525 1.15508
N N 1.28613 0.28681 1.22793
CA C 1.27086 0.283087 1.24263
C C 1.25867 0.266826 1.24137
O O 1.25809 0.258884 1.22767
CB C 1.24644 0.295117 1.24453
CG C 1.26041 0.310836 1.24972
CD1 C 1.26591 0.321629 1.23758
CD2 C 1.26437 0.315431 1.26731
CE1 C 1.27794 0.336263 1.24236
CE2 C 1.27559 0.330136 1.27221
CZ C 1.28239 0.340423 1.25969
OH O 1.29369 0.355092 1.26448
N N 1.24841 0.261642 1.25544
CA C 1.23572 0.245605 1.25629
C C 1.20631 0.242859 1.24467
O O 1.19873 0.229321 1.23886
CB C 1.23155 0.241552 1.27459
N N 1.18814 0.255338 1.24184
CA C 1.15978 0.254171 1.23019
C C 1.14942 0.270373 1.22473
O O 1.1636 0.28205 1.23091
CB C 1.136 0.245994 1.23905
N N 1.12559 0.271162 1.21194
CA C 1.11274 0.286256 1.20579
C C 1.07856 0.284512 1.20205
O O 1.06739 0.273342 1.19307
CB C 1.12608 0.291288 1.18941
CG C 1.1177 0.308137 1.18281
CD C 1.13453 0.313605 1.16801
OE1 O 1.16121 0.308632 1.16711
OE2 O 1.12026 0.322371 1.15608
N N 1.06233 0.295494 1.2086
CA C 1.02879 0.296201 1.20669
C C 1.01827 0.307583 1.19168
O O 1.03047 0.320627 1.19117
CB C 1.01841 0.302293 1.2238
CG C 0.98643 0.308432 1.22367
CD1 C 0.962667 0.295447 1.21831
CD2 C 0.982302 0.314924 1.24141
N N 0.994972 0.302693 1.18006
CA C 0.980946 0.312014 1.16566
C C 0.947651 0.313781 1.16677
O O 0.930391 0.302034 1.16528
CB C 0.985139 0.303813 1.1482
CG C 1.01703 0.304626 1.14431
ND1 N 1.02915 0.294575 1.13348
CD2 C 1.04114 0.313581 1.15124
CE1 C 1.05755 0.297804 1.13211
NE2 N 1.06633 0.30888 1.14365
N N 0.938546 0.328369 1.16961
CA C 0.906859 0.332964 1.16937
C C 0.897066 0.340234 1.15169
O O 0.908689 0.35263 1.14665
CB C 0.90395 0.34424 1.18422
CG C 0.91014 0.336876 1.20269
CD1 C 0.932689 0.347964 1.21305
CD2 C 0.881379 0.335474 1.21065
N N 0.875253 0.332033 1.14165
CA C 0.867174 0.33538 1.12306
C C 0.837755 0.3447 1.11996
O O 0.814705 0.340034 1.1255
CB C 0.862834 0.319637 1.11255
CG1 C 0.853931 0.322795 1.09308
CG2 C 0.891312 0.309469 1.11637
N N 0.838902 0.358404 1.11124
CA C 0.812906 0.36902 1.10785
C C 0.806474 0.373203 1.08855
O O 0.827226 0.373545 1.07946
CB C 0.818324 0.384361 1.11783
CG C 0.830776 0.382512 1.13668
ND1 N 0.86075 0.378588 1.14192
CD2 C 0.818062 0.385045 1.15142
CE1 C 0.865827 0.378411 1.15924
NE2 N 0.840729 0.382606 1.16533
N N 0.777516 0.376773 1.08215
CA C 0.769239 0.381251 1.06368
C C 0.75116 0.39684 1.06237
O O 0.734045 0.400917 1.0735
CB C 0.75047 0.368572 1.05318
CG C 0.721242 0.363847 1.05965
CD1 C 0.717655 0.352041 1.07185
CD2 C 0.691281 0.369786 1.05399
NE1 N 0.688016 0.350862 1.07431
CE2 C 0.670842 0.361491 1.06355
CE3 C 0.679131 0.381604 1.04194
CZ2 C 0.639333 0.364613 1.06139
CZ3 C 0.647976 0.384774 1.04032
CH2 C 0.62812 0.376066 1.04927
N N 0.755971 0.405406 1.04865
CA C 0.744256 0.42156 1.04538
C C 0.710404 0.421737 1.03853
O O 0.700865 0.415799 1.02467
CB C 0.762138 0.429255 1.03243
CG C 0.755714 0.447059 1.03041
OD1 O 0.731152 0.452703 1.03247
ND2 N 0.778366 0.455578 1.02549
N N 0.692236 0.428512 1.04886
CA C 0.658699 0.427405 1.04619
C C 0.645849 0.435264 1.02929
O O 0.619916 0.4318 1.02215
CB C 0.643333 0.434993 1.06104
OG1 O 0.653543 0.451041 1.06408
CG2 C 0.650343 0.425932 1.0779
N N 0.66321 0.445456 1.02215
CA C 0.649522 0.452715 1.00564
C C 0.645589 0.441368 0.990455
O O 0.628818 0.444903 0.977201
CB C 0.667675 0.466689 1.00107
CG C 0.696212 0.462813 0.993697
CD C 0.712103 0.477989 0.990102
CE C 0.73975 0.474065 0.981279
NZ N 0.760639 0.487746 0.981907
N N 0.659423 0.42731 0.992429
CA C 0.654047 0.414773 0.9789
C C 0.629315 0.403261 0.98043
O O 0.624941 0.392044 0.969777
CB C 0.684103 0.406125 0.977907
CG C 0.707402 0.417377 0.972456
CD1 C 0.700869 0.425838 0.956928
CD2 C 0.735133 0.419652 0.982377
CE1 C 0.721672 0.436242 0.951856
CE2 C 0.756337 0.430068 0.977371
CZ C 0.748772 0.438504 0.961895
OH O 0.768664 0.448708 0.95681
N N 0.613421 0.405064 0.99354
CA C 0.585398 0.395661 0.993827
C C 0.589501 0.379495 1.00181
O O 0.572652 0.374876 1.01187
N N 0.612949 0.370481 0.998036
CA C 0.621561 0.355682 1.00724
C C 0.654791 0.351216 1.00614
O O 0.669956 0.358404 0.996259
CB C 0.600148 0.341907 1.00193
CG C 0.598324 0.33743 0.982547
OD1 O 0.621667 0.336593 0.974992
OD2 O 0.572447 0.334378 0.974979
N N 0.665904 0.340458 1.01755
CA C 0.697477 0.335179 1.01883
C C 0.706066 0.329948 1.00068
O O 0.730599 0.334013 0.996311
CB C 0.703409 0.321699 1.03164
CG C 0.736087 0.315938 1.03394
CD1 C 0.758421 0.323208 1.04541
CD2 C 0.744593 0.302906 1.02478
CE1 C 0.788988 0.318223 1.04818
CE2 C 0.774975 0.297697 1.02783
CZ C 0.796524 0.305309 1.03933
N N 0.685541 0.321051 0.990808
CA C 0.690625 0.315525 0.973659
C C 0.695916 0.328062 0.96081
O O 0.715932 0.325953 0.951098
N N 0.679381 0.34146 0.960836
CA C 0.684731 0.354739 0.950144
C C 0.713792 0.3634 0.957647
O O 0.731248 0.368289 0.947569
CB C 0.657814 0.366039 0.947164
CG C 0.633691 0.361102 0.932668
CD C 0.603151 0.367936 0.93506
CE C 0.595004 0.382417 0.924669
NZ N 0.562036 0.385116 0.926486
N N 0.719234 0.364825 0.97507
CA C 0.745048 0.373698 0.98371
C C 0.775508 0.366357 0.979933
O O 0.796217 0.374688 0.976469
CB C 0.744336 0.374428 1.00359
N N 0.777955 0.350874 0.980011
CA C 0.807336 0.343816 0.977136
C C 0.817872 0.34635 0.959634
O O 0.844343 0.343663 0.957686
CB C 0.809467 0.326307 0.980939
CG1 C 0.809155 0.322795 0.999265
CG2 C 0.785886 0.316397 0.969293
N N 0.797385 0.352052 0.946968
CA C 0.804825 0.355045 0.930185
C C 0.813807 0.372119 0.928263
O O 0.817447 0.377197 0.913911
CB C 0.777158 0.349613 0.916525
CG C 0.771159 0.332281 0.920015
CD C 0.743953 0.325623 0.908487
OE1 O 0.745034 0.324716 0.892919
NE2 N 0.718812 0.321393 0.915924
N N 0.817806 0.381215 0.942484
CA C 0.825811 0.397771 0.941988
C C 0.856262 0.400905 0.95285
O O 0.86311 0.393835 0.966653
CB C 0.801482 0.407539 0.948928
CG C 0.770024 0.405158 0.939269
CD C 0.766242 0.412299 0.920904
OE1 O 0.780614 0.423964 0.917414
NE2 N 0.747075 0.405005 0.909114
N N 0.874054 0.412252 0.947621
CA C 0.904006 0.41581 0.957529
C C 0.902097 0.421419 0.975816
O O 0.922894 0.418367 0.987017
CB C 0.917635 0.428866 0.946916
CG C 0.892526 0.433367 0.933426
CD C 0.868035 0.421395 0.931296
N N 0.876999 0.429549 0.978286
CA C 0.871591 0.435476 0.995317
C C 0.84748 0.426003 1.00355
O O 0.833637 0.432236 1.01413
CB C 0.861883 0.453009 0.993618
CG C 0.832506 0.45566 0.981449
OD1 O 0.821084 0.445445 0.971123
OD2 O 0.820015 0.468657 0.982168
N N 0.844513 0.410626 0.999383
CA C 0.819474 0.401011 1.0041
C C 0.824411 0.395037 1.02274
O O 0.802765 0.394695 1.03113
N N 0.852599 0.391137 1.02934
CA C 0.859341 0.384267 1.04699
C C 0.881993 0.393976 1.05883
O O 0.901842 0.402283 1.0528
CB C 0.871841 0.367123 1.04669
CG C 0.855569 0.353832 1.03648
CD1 C 0.866965 0.337677 1.0425
CD2 C 0.821393 0.355293 1.03513
N N 0.880404 0.392397 1.0756
CA C 0.904085 0.398642 1.08948
C C 0.911127 0.385339 1.10209
O O 0.890503 0.378977 1.10877
CB C 0.892545 0.412982 1.09829
N N 0.940091 0.38045 1.10471
CA C 0.948894 0.368007 1.11748
C C 0.969562 0.375642 1.13224
O O 0.992383 0.383183 1.12964
CB C 0.964436 0.353832 1.10947
CG1 C 0.972116 0.341012 1.12314
CG2 C 0.942341 0.346915 1.09481
N N 0.961119 0.373274 1.14786
CA C 0.979907 0.378529 1.16387
C C 0.999542 0.364743 1.17095
O O 0.987276 0.352288 1.17519
CB C 0.958981 0.383301 1.17681
CG C 0.972 0.389793 1.19441
CD1 C 0.992501 0.404004 1.19198
CD2 C 0.94599 0.394247 1.20478
N N 1.02933 0.36697 1.17209
CA C 1.05107 0.354315 1.1777
C C 1.06719 0.357979 1.19555
O O 1.07792 0.371094 1.19908
N N 1.06889 0.345961 1.20661
CA C 1.08102 0.34708 1.22525
C C 1.10232 0.333471 1.22999
O O 1.0945 0.319885 1.22755
CB C 1.05489 0.34708 1.23665
CG1 C 1.03218 0.360678 1.23074
CG2 C 1.06885 0.349331 1.25552
CD1 C 1.0056 0.361573 1.24091
N N 1.13061 0.337654 1.23646
CA C 1.15471 0.325682 1.2413
C C 1.14918 0.31787 1.25811
O O 1.14071 0.325576 1.2701
CB C 1.18601 0.333318 1.24343
CG C 1.19533 0.339209 1.22683
CD1 C 1.19681 0.328757 1.21274
CD2 C 1.20011 0.354939 1.22422
CE1 C 1.2057 0.334213 1.197
CE2 C 1.21031 0.360489 1.20885
CZ C 1.213 0.350203 1.19526
N N 1.15564 0.302493 1.25944
CA C 1.15704 0.294092 1.27637
C C 1.18938 0.289461 1.28305
O O 1.20489 0.281131 1.27395
CB C 1.13758 0.278856 1.27381
CG C 1.10324 0.281696 1.27463
CD1 C 1.08803 0.291453 1.25897
CD2 C 1.08672 0.265471 1.27434
N N 1.201 0.295588 1.2987
CA C 1.23196 0.291959 1.30731
C C 1.22806 0.280812 1.32162
O O 1.20811 0.283499 1.33082
CB C 1.24575 0.307371 1.31567
CG C 1.2776 0.306947 1.32603
CD C 1.28999 0.323314 1.33081
CE C 1.26899 0.333412 1.34077
NZ N 1.25643 0.32547 1.35559
N N 1.24691 0.268641 1.32399
CA C 1.24508 0.257541 1.33791
C C 1.25574 0.265082 1.35551
O O 1.27899 0.272977 1.35787
CB C 1.26386 0.242447 1.33549
CG1 C 1.2604 0.230499 1.34958
CG2 C 1.25257 0.235307 1.31774
N N 1.23758 0.26335 1.36772
CA C 1.24423 0.271268 1.38516
C C 1.22159 0.266649 1.39739
O O 1.21469 0.252345 1.39869
N N 1.20789 0.278609 1.40435
CA C 1.18238 0.27683 1.41405
C C 1.15368 0.270703 1.40245
O O 1.14825 0.274202 1.38699
CB C 1.17485 0.292077 1.42266
OG O 1.19936 0.296401 1.43513
N N 1.13626 0.261288 1.41009
CA C 1.10655 0.255868 1.40035
C C 1.086 0.269925 1.39503
O O 1.0856 0.281142 1.40526
CB C 1.09149 0.244827 1.41201
N N 1.06772 0.269053 1.37983
CA C 1.04465 0.280871 1.37406
C C 1.01338 0.274674 1.37805
O O 1.00211 0.26315 1.37034
CB C 1.04378 0.283428 1.35447
CG C 1.02366 0.297144 1.34791
CD C 1.03892 0.312473 1.35399
CE C 1.02462 0.326 1.3429
NZ N 1.03572 0.340941 1.35158
N N 0.99976 0.282144 1.39031
CA C 0.970292 0.276241 1.39549
C C 0.945685 0.275946 1.37981
O O 0.928269 0.264788 1.3771
CB C 0.962209 0.288495 1.40871
CG C 0.992411 0.294634 1.41682
CD C 1.0135 0.294304 1.40275
N N 0.946436 0.287847 1.36906
CA C 0.923551 0.289367 1.35395
C C 0.924152 0.276983 1.33979
O O 0.902688 0.27617 1.32788
N N 0.948634 0.268075 1.34026
CA C 0.95181 0.256375 1.32729
C C 0.940846 0.240974 1.33328
O O 0.935486 0.230169 1.32297
CB C 0.985449 0.255173 1.32458
CG C 0.994466 0.243731 1.31127
CD1 C 0.976874 0.247455 1.29323
CD2 C 1.02878 0.245687 1.31101
N N 0.939024 0.239383 1.35031
CA C 0.933647 0.223971 1.35775
C C 0.903495 0.215582 1.35014
O O 0.904414 0.201525 1.34704
CB C 0.935872 0.224572 1.37787
CG C 0.940902 0.208547 1.38651
CD C 0.970027 0.2005 1.38265
OE1 O 0.994499 0.207887 1.38317
NE2 N 0.967736 0.185052 1.37923
N N 0.878542 0.224443 1.34617
CA C 0.849573 0.218139 1.33753
C C 0.853479 0.210303 1.3202
O O 0.839075 0.198119 1.31583
CB C 0.824632 0.231253 1.33523
CG C 0.792339 0.226116 1.32749
CD C 0.768172 0.238924 1.3292
CE C 0.740183 0.237993 1.31496
NZ N 0.722431 0.223146 1.31569
N N 0.872945 0.21729 1.31037
CA C 0.880246 0.210327 1.29395
C C 0.897123 0.194985 1.29774
O O 0.887781 0.182637 1.28986
CB C 0.898697 0.221791 1.28377
CG1 C 0.91004 0.214274 1.26832
CG2 C 0.879182 0.236143 1.27766
N N 0.922098 0.195716 1.30962
CA C 0.940814 0.181611 1.31428
C C 0.921427 0.167931 1.32005
O O 0.925895 0.154652 1.31509
CB C 0.96772 0.186171 1.32855
CG1 C 0.985167 0.171784 1.33597
CG2 C 0.989488 0.196776 1.32029
N N 0.900129 0.171407 1.33029
CA C 0.882598 0.159448 1.33757
C C 0.860456 0.150469 1.32405
O O 0.851847 0.137237 1.32754
CB C 0.864629 0.166694 1.3514
CG C 0.885093 0.171596 1.36835
OD1 O 0.911532 0.166352 1.37218
OD2 O 0.874725 0.181729 1.37732
N N 0.852298 0.157032 1.30856
CA C 0.830862 0.149338 1.29477
C C 0.847347 0.140878 1.28091
O O 0.83229 0.132382 1.2697
CB C 0.806549 0.161333 1.28634
CG1 C 0.819797 0.172232 1.27394
CG2 C 0.778578 0.153403 1.27655
N N 0.877769 0.142574 1.28155
CA C 0.893732 0.135882 1.26768
C C 0.890831 0.118125 1.26627
O O 0.8897 0.111868 1.25189
CB C 0.926912 0.141066 1.26904
CG C 0.930593 0.159118 1.26716
CD1 C 0.964311 0.163183 1.26791
CD2 C 0.91235 0.165492 1.25019
N N 0.888784 0.110089 1.28083
CA C 0.885625 0.0926851 1.28033
CA C 0.885719 0.0926379 1.28034
C C 0.85599 0.0872295 1.26936
O O 0.853429 0.0734788 1.26414
CB C 0.888606 0.0852382 1.29885
CB C 0.888606 0.0851557 1.29885
CG C 0.864508 0.0912358 1.30991
CG C 0.864903 0.0914361 1.31004
OD1 O 0.845488 0.101805 1.30426
N N 0.83329 0.0976339 1.26599
CA C 0.804306 0.093121 1.255
C C 0.804395 0.0964792 1.23555
O O 0.782095 0.0927322 1.2249
CB C 0.77764 0.101298 1.26194
OG O 0.778269 0.117382 1.25801
N N 0.828632 0.103714 1.23061
CA C 0.831062 0.107166 1.21213
C C 0.862129 0.101569 1.20785
O O 0.877135 0.109382 1.19864
CB C 0.824898 0.124782 1.20711
CG1 C 0.84816 0.135882 1.21751
CG2 C 0.791893 0.128941 1.20925
CD1 C 0.852183 0.151577 1.20868
N N 0.871072 0.0874181 1.21386
CA C 0.901843 0.0818919 1.21197
C C 0.908277 0.0805957 1.19306
O O 0.933367 0.0844134 1.18912
CB C 0.907787 0.0660673 1.2213
CG C 0.940443 0.0602465 1.22189
CD C 0.944361 0.0439152 1.23044
CE C 0.976099 0.0370575 1.22917
NZ N 0.979833 0.0200547 1.23446
N N 0.885819 0.0747396 1.18136
CA C 0.890331 0.0709337 1.16342
C C 0.871178 0.0811613 1.14988
O O 0.849603 0.0889381 1.15362
CB C 0.88186 0.0535066 1.15958
OG1 O 0.852835 0.0502309 1.1651
CG2 C 0.905261 0.0432436 1.16971
N N 0.880856 0.0813027 1.1343
CA C 0.867602 0.0910472 1.12009
C C 0.833344 0.0880779 1.1163
O O 0.823699 0.0743036 1.11544
CB C 0.882804 0.0871353 1.10389
CG C 0.868781 0.0958665 1.08749
CD C 0.886446 0.0927911 1.07229
CE C 0.883581 0.0756586 1.06636
NZ N 0.893296 0.0735495 1.04874
N N 0.815294 0.10078 1.11473
CA C 0.782355 0.0998727 1.11038
C C 0.765122 0.0997313 1.12607
O O 0.737119 0.100827 1.12405
N N 0.780972 0.0980463 1.14193
CA C 0.765164 0.0980463 1.15721
C C 0.757919 0.115167 1.16176
O O 0.775579 0.126055 1.1595
CB C 0.784635 0.09014 1.17266
CG C 0.788129 0.0722298 1.17104
CD C 0.769766 0.0632158 1.18312
CE C 0.788308 0.0606707 1.20077
NZ N 0.770655 0.0544257 1.2144
N N 0.731158 0.117453 1.16754
CA C 0.72255 0.133183 1.17323
C C 0.707059 0.13118 1.18926
O O 0.697349 0.118077 1.19299
CB C 0.701082 0.141926 1.15911
OG O 0.672362 0.134314 1.1558
N N 0.70532 0.143882 1.19883
CA C 0.69054 0.143741 1.21443
C C 0.677236 0.159471 1.21707
O O 0.689413 0.171443 1.21198
CB C 0.713061 0.139876 1.2302
N N 0.652099 0.159683 1.2248
CA C 0.638182 0.1746 1.22973
C C 0.662145 0.183709 1.24174
O O 0.679301 0.177004 1.25271
CB C 0.611436 0.171396 1.23986
CG C 0.583574 0.165551 1.22853
OD1 O 0.579529 0.168721 1.2124
OD2 O 0.565658 0.157539 1.23601
N N 0.663537 0.199074 1.23968
CA C 0.686954 0.208182 1.25045
C C 0.674643 0.22482 1.25173
O O 0.681726 0.235884 1.2425
CB C 0.716939 0.208005 1.24258
CG C 0.744893 0.21359 1.25516
CD1 C 0.756836 0.204459 1.26939
CD2 C 0.758944 0.227765 1.25261
CE1 C 0.782546 0.209101 1.28045
CE2 C 0.784543 0.232691 1.26368
CZ C 0.795929 0.223606 1.27795
N N 0.655539 0.226269 1.26327
CA C 0.640247 0.240939 1.26576
C C 0.654909 0.249917 1.28169
O O 0.671123 0.243366 1.29423
CB C 0.606504 0.237698 1.26718
OG1 O 0.604232 0.227388 1.28127
CG2 C 0.590812 0.229639 1.25045
N N 0.647372 0.265106 1.28139
CA C 0.657039 0.276241 1.29578
C C 0.691386 0.278114 1.30042
O O 0.702001 0.281732 1.31556
CB C 0.643094 0.271692 1.31241
CG C 0.608409 0.271751 1.3092
OD1 O 0.593964 0.25978 1.31115
ND2 N 0.595123 0.285125 1.30344
N N 0.708652 0.27531 1.28783
CA C 0.741422 0.278079 1.29071
C C 0.747279 0.295412 1.28815
O O 0.735655 0.302293 1.27497
CB C 0.758776 0.268629 1.2784
CG C 0.792444 0.271421 1.2819
CD1 C 0.809055 0.264528 1.29649
CD2 C 0.806415 0.282061 1.27206
CE1 C 0.840133 0.267816 1.30064
CE2 C 0.837819 0.285384 1.27606
CZ C 0.854364 0.277937 1.29046
N N 0.765409 0.302599 1.30092
CA C 0.773218 0.319107 1.30026
C C 0.804604 0.322253 1.29419
O O 0.828688 0.319897 1.30385
CB C 0.773077 0.325847 1.31835
CG C 0.777278 0.343486 1.31903
OD1 O 0.782407 0.351381 1.30588
OD2 O 0.778466 0.349342 1.33422
N N 0.805184 0.328062 1.27823
CA C 0.833871 0.330277 1.27177
C C 0.853503 0.343769 1.27989
O O 0.880348 0.344547 1.2777
CB C 0.824326 0.332457 1.25198
CG C 0.792995 0.339079 1.25086
CD C 0.778703 0.33135 1.26488
N N 0.840288 0.354397 1.28928
CA C 0.858207 0.366192 1.29945
C C 0.883297 0.358816 1.31277
O O 0.907138 0.366369 1.31779
CB C 0.838482 0.376891 1.30886
CG C 0.816 0.386294 1.29602
CD C 0.794278 0.395909 1.30456
NE N 0.775815 0.385764 1.31422
CZ C 0.755602 0.390689 1.32425
NH1 N 0.749189 0.406007 1.326
NH2 N 0.741081 0.380061 1.33264
N N 0.877361 0.344547 1.31843
CA C 0.899972 0.336546 1.33106
C C 0.928381 0.331244 1.32362
O O 0.949641 0.325128 1.33353
N N 0.929206 0.332917 1.30641
CA C 0.956038 0.329064 1.29836
C C 0.974419 0.343427 1.29436
O O 0.99505 0.34186 1.2857
CB C 0.946477 0.319331 1.28155
CG C 0.930421 0.303836 1.28359
CD1 C 0.920606 0.296119 1.2659
CD2 C 0.949769 0.292089 1.29547
N N 0.966426 0.357626 1.29986
CA C 0.981511 0.371695 1.2947
C C 1.00751 0.376172 1.30886
O O 1.00446 0.37358 1.32378
CB C 0.959281 0.385057 1.29206
CG C 0.932355 0.3827 1.27779
CD1 C 0.910221 0.396675 1.27756
CD2 C 0.943646 0.380485 1.26012
N N 1.03164 0.383607 1.30416
CA C 1.05532 0.389829 1.31735
C C 1.04479 0.405842 1.3228
O O 1.02155 0.412052 1.31476
CB C 1.08335 0.391019 1.30728
CG C 1.07009 0.395084 1.2896
CD C 1.03991 0.386023 1.28628
N N 1.06193 0.412806 1.33608
CA C 1.0526 0.4283 1.34235
CA C 1.05384 0.428312 1.34289
C C 1.05777 0.441591 1.33004
O O 1.03876 0.452243 1.32748
CB C 1.06895 0.432283 1.36022
CB C 1.07348 0.431658 1.36047
CG C 1.05323 0.445386 1.3692
CG C 1.06928 0.420017 1.37486
N N 1.08272 0.44112 1.32207
CA C 1.08912 0.452997 1.30885
C C 1.07506 0.44819 1.29084
O O 1.07791 0.434592 1.28576
CB C 1.12367 0.455625 1.30881
OG O 1.12816 0.467007 1.29592
N N 1.06058 0.459572 1.28113
CA C 1.04861 0.457487 1.26288
C C 1.06873 0.466065 1.25075
O O 1.05817 0.468751 1.23517
CB C 1.01489 0.462577 1.25935
CG C 0.991397 0.453433 1.26836
CD1 C 0.958979 0.459219 1.26201
CD2 C 0.992281 0.435959 1.26483
N N 1.0975 0.469576 1.2574
CA C 1.11923 0.474714 1.24603
C C 1.1216 0.46187 1.23207
O O 1.12227 0.447518 1.23612
CB C 1.15078 0.478237 1.25625
CG C 1.15155 0.493672 1.26692
OD1 O 1.13188 0.503676 1.26425
OD2 O 1.17332 0.495251 1.27782
N N 1.12415 0.466984 1.216
CA C 1.12361 0.455448 1.20142
C C 1.14291 0.460303 1.18687
O O 1.15152 0.474113 1.18524
CB C 1.09005 0.452703 1.19302
CG C 1.07451 0.46775 1.18503
CD1 C 1.0583 0.477541 1.19473
CD2 C 1.07573 0.471673 1.16768
CE1 C 1.04539 0.491481 1.18767
CE2 C 1.06204 0.485083 1.16031
CZ C 1.04645 0.494862 1.17013
OH O 1.03393 0.508554 1.16222
N N 1.15059 0.448378 1.17723
CA C 1.1602 0.450358 1.1602
C C 1.13343 0.447318 1.14659
O O 1.11444 0.437196 1.14891
CB C 1.18719 0.439317 1.15758
CG C 1.21577 0.441427 1.17021
CD1 C 1.23717 0.453068 1.17001
CD2 C 1.22575 0.431965 1.18527
NE1 N 1.26065 0.451065 1.18381
CE2 C 1.25383 0.43808 1.19321
CE3 C 1.21407 0.418509 1.19235
CZ2 C 1.27018 0.431352 1.20811
CZ3 C 1.2301 0.411863 1.20732
CH2 C 1.25815 0.417849 1.21461
N N 1.13404 0.453975 1.13114
CA C 1.11019 0.450405 1.11647
C C 1.12207 0.450488 1.09879
O O 1.14342 0.459325 1.09572
CB C 1.08241 0.461151 1.11652
OG1 O 1.05845 0.456933 1.10273
CG2 C 1.09136 0.478508 1.1137
N N 1.10945 0.440071 1.08704
CA C 1.11885 0.439812 1.06974
C C 1.09345 0.431293 1.05797
O O 1.07623 0.42275 1.06437
CB C 1.15064 0.431541 1.06935
CG C 1.14861 0.414031 1.07178
CD1 C 1.14858 0.407468 1.08815
CD2 C 1.14537 0.404051 1.05742
CE1 C 1.14503 0.391408 1.0901
CE2 C 1.14138 0.387696 1.05925
CZ C 1.14156 0.381699 1.07561
OH O 1.13757 0.365485 1.07696
N N 1.09168 0.433779 1.04092
CA C 1.06921 0.425319 1.02819
C C 1.08082 0.409106 1.02333
O O 1.10606 0.407433 1.01869
CB C 1.06562 0.436478 1.01238
CG C 1.09633 0.444278 1.01288
CD C 1.10911 0.445869 1.03233
N N 1.06218 0.397276 1.02538
CA C 1.07107 0.381852 1.02126
C C 1.04476 0.370717 1.015
O O 1.0225 0.375312 1.00511
N N 1.04941 0.355858 1.01968
CA C 1.02939 0.343239 1.01353
C C 1.02062 0.332163 1.02657
O O 1.03353 0.332245 1.04178
CB C 1.04851 0.333341 1.00082
OG O 1.07001 0.32276 1.00955
N N 0.999638 0.321688 1.02068
CA C 0.995196 0.307183 1.0309
C C 1.02495 0.297815 1.03273
O O 1.04105 0.297804 1.02069
CB C 0.97 0.29639 1.02133
CG C 0.938616 0.303836 1.01607
CD1 C 0.915742 0.29203 1.00635
CD2 C 0.926399 0.310647 1.03167
N N 1.03345 0.290722 1.04814
CA C 1.06179 0.281708 1.05127
C C 1.05739 0.264528 1.0469
O O 1.07996 0.255585 1.04896
CB C 1.07802 0.282556 1.07034
OG1 O 1.05952 0.275003 1.08176
CG2 C 1.08347 0.299324 1.07553
N N 1.02966 0.259898 1.04002
CA C 1.02329 0.244356 1.0335
C C 1.00725 0.246147 1.01461
O O 0.991125 0.257812 1.01094
CB C 1.00152 0.235448 1.0441
OG1 O 0.973903 0.244061 1.04429
CG2 C 1.01558 0.233221 1.06331
N N 1.00855 0.233904 1.00368
CA C 0.988171 0.233138 0.986808
C C 0.954565 0.237204 0.9889
O O 0.942329 0.231524 1.00117
CB C 0.989323 0.215947 0.981828
CG C 1.02152 0.21121 0.988952
CD C 1.02586 0.218987 1.00691
N N 0.939178 0.247207 0.977645
CA C 0.948481 0.252851 0.961633
C C 0.969859 0.267333 0.961738
O O 0.974255 0.273142 0.947896
CB C 0.917758 0.256268 0.951151
CG C 0.89821 0.261689 0.963686
CD C 0.907456 0.251567 0.979645
N N 0.9829 0.272847 0.977057
CA C 1.00766 0.284041 0.978809
C C 0.998388 0.300066 0.970822
O O 1.01758 0.308938 0.965934
CB C 1.0368 0.277431 0.972156
CG C 1.04942 0.262125 0.980639
CD1 C 1.07329 0.255526 0.969868
CD2 C 1.06412 0.265 0.999226
N N 0.968853 0.303424 0.969999
CA C 0.955261 0.318011 0.960849
C C 0.96982 0.332622 0.969868
O O 0.974216 0.333518 0.985566
CB C 0.920164 0.318141 0.960875
CG C 0.903602 0.304485 0.949543
CD1 C 0.870048 0.303141 0.952144
CD2 C 0.90726 0.305934 0.930119
N N 0.975198 0.344511 0.959098
CA C 0.990607 0.358663 0.965777
C C 0.966079 0.370375 0.969594
O O 0.961599 0.382759 0.961071
CB C 1.01205 0.36413 0.953477
CG C 1.03881 0.352488 0.953137
CD C 1.06201 0.356931 0.94136
OE1 O 1.05352 0.366074 0.928943
OE2 O 1.08771 0.350426 0.943713
N N 0.950795 0.36644 0.982691
CA C 0.924317 0.375677 0.986991
C C 0.927572 0.381215 1.0059
O O 0.905264 0.386694 1.01209
CB C 0.895988 0.365403 0.983802
SG S 0.898549 0.34774 0.996847
N N 0.955286 0.380744 1.01519
CA C 0.95976 0.383089 1.03416
C C 0.978287 0.397782 1.03984
O O 1.00439 0.399503 1.03547
CB C 0.976866 0.369091 1.04388
CG1 C 0.980398 0.371282 1.06367
CG2 C 0.959616 0.353726 1.03985
N N 0.965523 0.407857 1.04989
CA C 0.983454 0.419487 1.06049
C C 0.995372 0.411191 1.07795
O O 0.976095 0.406879 1.08762
CB C 0.964542 0.433909 1.06416
OG1 O 0.953468 0.44092 1.04786
CG2 C 0.983027 0.446069 1.07538
N N 1.02577 0.408375 1.08117
CA C 1.03996 0.400752 1.09722
C C 1.04554 0.413029 1.11151
O O 1.05796 0.425673 1.1083
CB C 1.07032 0.391903 1.0951
CG C 1.06312 0.375948 1.08755
CD1 C 1.06011 0.37153 1.07044
CD2 C 1.05556 0.36248 1.09705
NE1 N 1.04939 0.356023 1.06887
CE2 C 1.04817 0.350426 1.08519
CE3 C 1.05475 0.359535 1.1149
CZ2 C 1.03847 0.335627 1.0904
CZ3 C 1.04634 0.344771 1.12008
CH2 C 1.03964 0.332999 1.10779
N N 1.03795 0.408964 1.12697
CA C 1.0443 0.418532 1.14261
C C 1.05976 0.406855 1.15644
O O 1.04502 0.396863 1.16238
CB C 1.01511 0.425543 1.14753
CG1 C 0.999959 0.436466 1.13286
CG2 C 1.02155 0.435193 1.16456
CD1 C 0.968192 0.441768 1.13506
N N 1.08959 0.408929 1.16137
CA C 1.10731 0.398089 1.17336
C C 1.11677 0.407397 1.18993
O O 1.13337 0.419039 1.18991
CB C 1.13519 0.391337 1.16544
CG1 C 1.15365 0.380261 1.17805
CG2 C 1.12547 0.382912 1.14784
N N 1.10738 0.401588 1.20435
CA C 1.11585 0.409 1.22134
C C 1.14947 0.406985 1.22875
O O 1.16286 0.394377 1.22752
CB C 1.09479 0.403144 1.2338
CG C 1.06101 0.406926 1.22897
CD1 C 1.04231 0.402613 1.24347
CD2 C 1.05402 0.424235 1.22411
N N 1.16318 0.420099 1.23581
CA C 1.19423 0.420323 1.24454
C C 1.19841 0.409836 1.26084
O O 1.22099 0.40074 1.26342
CB C 1.20162 0.437526 1.25014
CG C 1.23353 0.440991 1.25947
CD C 1.23332 0.456756 1.26851
CE C 1.21508 0.455861 1.28436
NZ N 1.21496 0.470908 1.29454
N N 1.17589 0.410013 1.27118
CA C 1.17946 0.402224 1.28811
C C 1.16636 0.385269 1.28531
O O 1.13953 0.383501 1.27887
CB C 1.16285 0.411003 1.30122
CG C 1.16921 0.403191 1.3192
CD C 1.15635 0.411557 1.33408
OE1 O 1.13666 0.421737 1.33114
OE2 O 1.16716 0.407892 1.34906
N N 1.18496 0.373344 1.28945
CA C 1.17265 0.357308 1.2894
C C 1.15409 0.354515 1.30417
O O 1.15741 0.362716 1.31726
CB C 1.20099 0.346302 1.29158
CG C 1.22766 0.35653 1.29526
CD C 1.21816 0.373662 1.29507
N N 1.13511 0.342331 1.30215
CA C 1.12204 0.335391 1.31684
C C 1.14191 0.321499 1.32319
O O 1.15856 0.314783 1.31344
CB C 1.08822 0.330395 1.31238
CG1 C 1.0831 0.317823 1.29795
CG2 C 1.06864 0.344912 1.30782
CD1 C 1.04998 0.311224 1.29654
N N 1.14139 0.317611 1.33997
CA C 1.15802 0.303919 1.34711
CA C 1.15713 0.303825 1.34823
C C 1.13593 0.28965 1.34467
O O 1.10816 0.291346 1.34298
CB C 1.17352 0.306605 1.36608
CB C 1.16495 0.30571 1.3684
OG O 1.20272 0.314241 1.36643
OG O 1.13827 0.303624 1.37719
N N 1.14901 0.275875 1.34316
CA C 1.1326 0.261264 1.34603
CA C 1.13372 0.260557 1.34252
C C 1.15542 0.249576 1.35456
O O 1.18268 0.250577 1.35363
CB C 1.11499 0.253547 1.32979
CB C 1.12833 0.254301 1.32323
CG1 C 1.09195 0.265224 1.32139
CG1 C 1.15745 0.252934 1.3142
N N 1.14335 0.238665 1.36362
CA C 1.16379 0.227942 1.37421
C C 1.1753 0.215299 1.36304
O O 1.16158 0.211587 1.34831
CB C 1.14948 0.221332 1.38909
OG O 1.12844 0.209396 1.38336
N N 1.20163 0.208653 1.36958
CA C 1.21375 0.19594 1.35976
C C 1.18976 0.182519 1.35687
O O 1.18583 0.174671 1.34295
CB C 1.24472 0.190036 1.36908
OG O 1.24059 0.183143 1.38472
N N 1.17274 0.18015 1.36945
CA C 1.14939 0.167861 1.36783
C C 1.12107 0.171678 1.35477
O O 1.1076 0.161156 1.34593
CB C 1.13935 0.16389 1.38534
CG C 1.16367 0.154381 1.39683
CD C 1.16876 0.137908 1.38973
OE1 O 1.14716 0.128175 1.38813
OE2 O 1.19461 0.134585 1.38583
N N 1.11238 0.186761 1.35363
CA C 1.0862 0.191686 1.34078
C C 1.09318 0.188929 1.32246
O O 1.07366 0.182566 1.31145
CB C 1.07757 0.208889 1.34371
CG C 1.06246 0.211387 1.36021
CD C 1.05541 0.22852 1.36308
OE1 O 1.07399 0.239112 1.3606
NE2 N 1.02703 0.231901 1.36673
N N 1.12038 0.193842 1.31851
CA C 1.12714 0.192028 1.30071
C C 1.13219 0.174848 1.29684
O O 1.12577 0.169687 1.28178
CB C 1.15324 0.202903 1.29603
CG1 C 1.18366 0.199427 1.30582
CG2 C 1.15507 0.202762 1.27658
N N 1.14346 0.165869 1.31022
CA C 1.14786 0.148937 1.30745
C C 1.11735 0.140783 1.30054
O O 1.11608 0.130732 1.28884
CB C 1.16183 0.141184 1.32433
CG C 1.16977 0.123769 1.32316
CD1 C 1.1905 0.120234 1.30949
CD2 C 1.18501 0.118737 1.34124
N N 1.09278 0.14539 1.30735
CA C 1.06193 0.139322 1.30079
C C 1.05161 0.142044 1.28139
O O 1.03585 0.1323 1.27246
CB C 1.03799 0.146604 1.31081
CG C 1.04028 0.140206 1.32957
CD C 1.02385 0.124322 1.33012
CE C 0.988839 0.125654 1.32719
NZ N 0.973822 0.111609 1.31796
N N 1.06182 0.155017 1.27441
CA C 1.05446 0.158081 1.2555
C C 1.06924 0.14479 1.24543
O O 1.05515 0.140135 1.23107
CB C 1.06922 0.173717 1.25042
CG C 1.05353 0.188728 1.25551
CD1 C 1.03127 0.188881 1.26675
CD2 C 1.0624 0.203115 1.2492
CE1 C 1.01808 0.203139 1.27091
CE2 C 1.04942 0.217172 1.25339
CZ C 1.02698 0.217231 1.26427
N N 1.09687 0.139546 1.25258
CA C 1.11465 0.128694 1.24373
C C 1.10173 0.112327 1.24342
O O 1.11347 0.102111 1.23554
CB C 1.14831 0.12834 1.25208
CG C 1.16429 0.144295 1.25248
CD C 1.19817 0.142727 1.25964
NE N 1.21067 0.158493 1.26155
CZ C 1.2247 0.164832 1.27633
NH1 N 1.22981 0.156525 1.29093
NH2 N 1.23371 0.179997 1.27636
N N 1.07945 0.109452 1.25286
CA C 1.06662 0.0936631 1.25359
C C 1.03881 0.0920959 1.23999
O O 1.02641 0.0791582 1.23785
CB C 1.05769 0.090411 1.27174
CG C 1.08572 0.0888674 1.28577
CD C 1.0753 0.0853325 1.3034
CE C 1.09997 0.0881368 1.31906
NZ N 1.12707 0.0777089 1.31881
N N 1.02861 0.10488 1.23101
CA C 1.00491 0.103408 1.21534
C C 1.01708 0.0945586 1.20048
O O 1.04459 0.0915893 1.2009
CB C 0.994758 0.119751 1.2089
CG C 0.978305 0.129189 1.22185
CD1 C 0.9742 0.146392 1.21605
CD2 C 0.947788 0.121553 1.22415
N N 0.996344 0.0896804 1.18754
CA C 1.00429 0.0799241 1.17308
C C 0.994446 0.0883843 1.15593
O O 0.969487 0.0947825 1.15355
CB C 0.985645 0.0648065 1.17234
CG C 0.99862 0.0519041 1.1849
OD1 O 0.987756 0.0387425 1.18244
ND2 N 1.02004 0.0552623 1.19852
N N 1.01371 0.0886671 1.1442
CA C 1.0041 0.0940637 1.12615
C C 0.981212 0.0828227 1.1156
O O 0.961733 0.087748 1.10383
CB C 1.03135 0.0941697 1.11651
CG C 1.05316 0.107767 1.12063
CD1 C 1.04376 0.123026 1.11859
CD2 C 1.08384 0.104798 1.1249
CE1 C 1.06457 0.135351 1.1211
CE2 C 1.10457 0.116864 1.12745
CZ C 1.09491 0.132241 1.12594
N N 0.984758 0.0676462 1.11953
CA C 0.966609 0.0549088 1.1103
C C 0.935221 0.0525875 1.11618
O O 0.928713 0.0574068 1.1305
CB C 0.983986 0.039096 1.11409
CG C 0.990641 0.0356671 1.13366
OD1 O 1.01168 0.0428548 1.14301
ND2 N 0.972521 0.025357 1.14018
N N 0.915218 0.0447518 1.10507
CA C 0.885671 0.0400622 1.10992
C C 0.88706 0.0250507 1.12062
O O 0.909933 0.0163195 1.12186
N N 0.862331 0.0222817 1.12835
CA C 0.859673 0.00868407 1.13978
C C 0.863469 -0.00679879 1.1299
O O 0.85209 -0.00836593 1.11432
CB C 0.829206 0.00909648 1.14724
CG C 0.82789 -0.0017321 1.16287
CD C 0.798097 -0.000294575 1.17069
OE1 O 0.786738 0.0129142 1.17206
OE2 O 0.785728 -0.01249 1.17554
N N 0.881279 -0.0176627 1.13865
CA C 0.888836 -0.0323561 1.13075
C C 0.911769 -0.0312603 1.11775
O O 0.917022 -0.0430079 1.10941
N N 0.924685 -0.0174153 1.1153
CA C 0.94947 -0.0159777 1.10455
C C 0.979196 -0.0166022 1.11723
O O 0.978534 -0.014387 1.13303
CB C 0.947275 -0.000447754 1.09409
CG C 0.919331 0.000683414 1.08023
CD C 0.916085 0.0163195 1.07021
OE1 O 0.929275 0.0290804 1.07577
OE2 O 0.898966 0.0158481 1.05616
N N 1.00527 -0.0196658 1.11055
CA C 1.03509 -0.0189588 1.12165
C C 1.04068 -0.00278079 1.13111
O O 1.03257 0.00957958 1.12318
CB C 1.05779 -0.0213272 1.10854
CG C 1.04042 -0.0308008 1.09407
CD C 1.00842 -0.0243908 1.09246
N N 1.0525 -0.00327567 1.14799
CA C 1.05709 0.01097 1.15877
C C 1.08264 0.0212447 1.1538
O O 1.10834 0.0159306 1.15405
CB C 1.06277 0.00705802 1.17823
CG C 1.06177 0.0218457 1.18919
CD C 1.06655 0.0196776 1.20871
OE1 O 1.08695 0.0105694 1.2147
OE2 O 1.05076 0.0275958 1.21797
N N 1.07486 0.0361502 1.14963
CA C 1.09593 0.0480393 1.14511
C C 1.0899 0.0622025 1.15677
O O 1.06562 0.0699439 1.15409
CB C 1.08936 0.0523637 1.12562
CG C 1.11685 0.0540015 1.11556
CD C 1.10623 0.0573007 1.09621
OE1 O 1.08397 0.0495946 1.08857
OE2 O 1.11972 0.0678112 1.08872
N N 1.11181 0.0654899 1.16957
CA C 1.10658 0.0775675 1.18221
C C 1.10564 0.0934038 1.17342
O O 1.12369 0.0968798 1.16277
CB C 1.13106 0.0765542 1.1983
CG C 1.13318 0.0620611 1.21024
CD1 C 1.1638 0.0621553 1.22287
CD2 C 1.10522 0.0615308 1.21986
N N 1.08471 0.103148 1.17814
CA C 1.07991 0.118973 1.17094
C C 1.1037 0.129778 1.18145
O O 1.09916 0.135693 1.19558
CB C 1.04747 0.124664 1.1721
CG C 1.03976 0.140536 1.16338
SD S 1.00106 0.147005 1.16532
CE C 0.979529 0.135599 1.14808
N N 1.12924 0.131404 1.17438
CA C 1.15467 0.14162 1.1813
C C 1.16701 0.148737 1.16605
O O 1.16441 0.141726 1.15157
CB C 1.18042 0.132029 1.19251
CG1 C 1.16858 0.125607 1.20866
CG2 C 1.19382 0.118961 1.18189
N N 1.18141 0.16237 1.16897
CA C 1.19732 0.170594 1.1561
C C 1.17465 0.174589 1.13971
O O 1.18173 0.173128 1.12481
CB C 1.22579 0.161957 1.15217
CG C 1.25103 0.161533 1.16774
OD1 O 1.25703 0.173835 1.17608
OD2 O 1.26607 0.149185 1.17114
N N 1.14812 0.180091 1.1434
CA C 1.1237 0.185134 1.1291
C C 1.12738 0.202833 1.12633
O O 1.10459 0.211929 1.12441
CB C 1.09166 0.180704 1.13307
CG C 1.0845 0.187739 1.15009
OD1 O 1.10511 0.193866 1.16033
ND2 N 1.05616 0.186902 1.15324
N N 1.15525 0.207251 1.12378
CA C 1.16274 0.223359 1.11996
C C 1.17717 0.224596 1.10331
O O 1.19469 0.214333 1.09904
CB C 1.18477 0.230711 1.1352
CG C 1.2125 0.221403 1.1417
CD1 C 1.21382 0.209761 1.15335
CD2 C 1.24249 0.223406 1.13749
NE1 N 1.24339 0.204164 1.15727
CE2 C 1.2614 0.211917 1.14722
CE3 C 1.25598 0.23381 1.12676
CZ2 C 1.29276 0.210433 1.14612
CZ3 C 1.2869 0.232714 1.12586
CH2 C 1.30527 0.221037 1.13575
N N 1.17003 0.23771 1.094
CA C 1.18399 0.24194 1.07875
C C 1.2119 0.251838 1.08504
O O 1.20963 0.263032 1.09552
CB C 1.16111 0.250978 1.06527
CG C 1.17251 0.253499 1.04798
CD C 1.15388 0.26566 1.03633
NE N 1.16012 0.264387 1.01834
CZ C 1.15139 0.274426 1.00532
NH1 N 1.13563 0.286892 1.00766
NH2 N 1.15742 0.270974 0.988978
N N 1.23709 0.248998 1.0777
CA C 1.26371 0.259462 1.08297
C C 1.2591 0.275687 1.07534
O O 1.23871 0.278656 1.06279
CB C 1.29066 0.250754 1.07665
CG C 1.27717 0.239525 1.06353
CD C 1.24465 0.236025 1.06641
N N 1.2785 0.286327 1.0824
CA C 1.27764 0.302941 1.07632
C C 1.28206 0.304072 1.05721
O O 1.30172 0.295906 1.05116
CB C 1.30265 0.312638 1.08759
N N 1.26447 0.314476 1.04778
CA C 1.2649 0.316845 1.02938
C C 1.27895 0.332504 1.02588
O O 1.28137 0.343015 1.03687
CB C 1.23175 0.316291 1.0204
CG C 1.21582 0.300867 1.02337
CD C 1.2301 0.286739 1.01568
OE1 O 1.23534 0.286987 1.00049
NE2 N 1.23899 0.274992 1.02632
N N 1.28913 0.334237 1.01057
CA C 1.30389 0.348918 1.00729
C C 1.28237 0.363352 1.00743
O O 1.25599 0.363128 0.999186
CB C 1.31301 0.34655 0.98886
CG C 1.31145 0.329052 0.985867
CD C 1.28694 0.323326 0.995657
N N 1.29535 0.376172 1.01534
CA C 1.2787 0.390642 1.01653
C C 1.27115 0.398807 0.998899
O O 1.24752 0.406549 0.995331
CB C 1.29644 0.401553 1.03002
CG C 1.27836 0.415092 1.03643
CD1 C 1.25064 0.409212 1.04437
CD2 C 1.29843 0.424977 1.05003
N N 1.29155 0.39704 0.987972
CA C 1.28796 0.403992 0.970378
C C 1.28543 0.421772 0.971763
O O 1.30477 0.428607 0.981737
CB C 1.26244 0.396168 0.957934
CG C 1.2709 0.379118 0.955634
CD C 1.25102 0.370693 0.941243
CE C 1.26739 0.35587 0.936145
NZ N 1.24449 0.343427 0.929806
N N 1.26224 0.429337 0.962927
CA C 1.26217 0.446529 0.963398
C C 1.24502 0.453304 0.977502
O O 1.23729 0.467055 0.977149
CB C 1.25014 0.452774 0.944955
CG C 1.27249 0.449498 0.932106
OD1 O 1.26483 0.441874 0.918408
ND2 N 1.30094 0.454706 0.936759
N N 1.23926 0.443901 0.990481
CA C 1.21967 0.44938 1.00295
C C 1.23827 0.457239 1.01853
O O 1.26549 0.454188 1.02296
CB C 1.20116 0.4355 1.00934
CG C 1.17873 0.428583 0.994638
CD C 1.1646 0.413901 1.00085
NE N 1.18605 0.400775 1.0027
CZ C 1.17991 0.386659 1.00911
NH1 N 1.15303 0.383949 1.01431
NH2 N 1.20035 0.375147 1.00976
N N 1.22287 0.467231 1.02696
CA C 1.23554 0.474584 1.04309
C C 1.21865 0.469329 1.05831
O O 1.19012 0.469081 1.05676
CB C 1.23311 0.492082 1.04006
CG C 1.25291 0.501213 1.05401
CD C 1.24599 0.518699 1.05267
OE1 O 1.22061 0.523908 1.05522
NE2 N 1.26822 0.527819 1.04865
N N 1.23601 0.464085 1.07271
CA C 1.22224 0.460597 1.08825
C C 1.22357 0.476175 1.09939
O O 1.24734 0.483987 1.10249
CB C 1.23898 0.447118 1.09891
CG1 C 1.24078 0.432483 1.08781
CG2 C 1.2244 0.444478 1.11544
CD1 C 1.25857 0.418756 1.09693
N N 1.19765 0.480794 1.1045
CA C 1.19511 0.494603 1.11535
C C 1.1931 0.489513 1.13417
O O 1.1778 0.477589 1.13681
CB C 1.16661 0.503782 1.10842
CG C 1.16837 0.510805 1.09055
CD C 1.13734 0.516991 1.08259
CE C 1.14046 0.526688 1.06635
NZ N 1.11028 0.527596 1.05509
N N 1.20657 0.499022 1.14654
CA C 1.20337 0.496913 1.16474
C C 1.18432 0.510381 1.17077
O O 1.1888 0.524237 1.16653
CB C 1.23494 0.497031 1.17562
N N 1.1646 0.506787 1.18154
CA C 1.14602 0.518876 1.18908
C C 1.16403 0.5267 1.20517
O O 1.15293 0.537588 1.21222
CB C 1.1177 0.510557 1.19479
OG O 1.1248 0.50172 1.21082
N N 1.1921 0.521268 1.21043
CA C 1.21058 0.525192 1.22703
C C 1.24413 0.52723 1.22393
O O 1.25422 0.520585 1.21181
CB C 1.20828 0.511901 1.24046
CG C 1.22126 0.496583 1.23512
CD1 C 1.2036 0.486779 1.22355
CD2 C 1.25209 0.492812 1.24071
CE1 C 1.2157 0.473252 1.21785
CE2 C 1.26455 0.478684 1.2351
CZ C 1.24567 0.468987 1.22365
N N 1.26121 0.536409 1.23497
CA C 1.29384 0.540156 1.23337
C C 1.31603 0.528574 1.24346
O O 1.31067 0.523825 1.25791
CB C 1.2999 0.556959 1.24041
CG C 1.32525 0.566538 1.23414
CD C 1.3297 0.581738 1.24503
C2 C 0.799597 0.207145 0.86181
C3 C 0.810692 0.2196 0.852373
C4 C 0.798191 0.222428 0.834936
C5 C 0.77568 0.212671 0.826545
C6 C 0.764901 0.200075 0.835786
C8 C 0.741904 0.190142 0.827734
C9 C 0.731606 0.177817 0.837472
C10 C 0.744284 0.175036 0.854791
O O 0.710626 0.155312 0.859144
C C 0.733962 0.16277 0.864712
N11 N 0.766072 0.185076 0.86215
C7 C 0.776907 0.19733 0.853236
N N 0.809391 0.203257 0.879025
OB O 0.729524 0.192711 0.810428
CG C 0.71451 0.179962 0.79988
CD C 0.726564 0.178948 0.782365
CE2 C 0.712924 0.193253 0.772156
ZN Zn 1.00897 0.275781 1.11821
O1 O 0.851711 0.218492 0.885129
C2 C 0.831328 0.210409 0.889965
C4 C 0.855271 0.211305 0.920669
C5 C 0.842856 0.220707 0.934668
C6 C 0.840844 0.211375 0.950994
C7 C 0.840648 0.221921 0.967136
C8 C 0.829337 0.247761 0.977384
C9 C 0.821007 0.263279 0.974038
N3 N 0.830324 0.207275 0.906905
O7 O 0.830301 0.238264 0.963228
C13 C 0.835471 0.242506 0.994572
C10 C 0.81981 0.273648 0.98788
C11 C 0.826142 0.268358 1.00504
C12 C 0.83399 0.252698 1.00865
C14 C 0.839909 0.247101 1.02627
N15 N 0.867383 0.255173 1.03597
C16 C 0.865465 0.267804 1.04631
O17 O 0.840489 0.273189 1.04853
C18 C 0.893285 0.273825 1.05574
C19 C 0.922661 0.268075 1.05333
C20 C 0.949795 0.274155 1.06293
C21 C 0.946811 0.28648 1.07451
S24 S 0.980606 0.294068 1.08617
O27 O 0.970834 0.302305 1.10107
O25 O 0.996622 0.303106 1.07348
N26 N 1.00248 0.278998 1.09189
C22 C 0.918764 0.29256 1.07699
C23 C 0.891786 0.28635 1.06794
O O 0.865384 0.171348 0.928551
C C 0.847359 0.166989 0.916029
C10 C 0.820933 0.158057 0.918355
N11 N 0.796313 0.157857 0.905964
C7 C 0.770699 0.14902 0.90684
C2 C 0.746496 0.149691 0.892958
N N 0.751504 0.159836 0.879874
C9 C 0.81918 0.148607 0.933008
C8 C 0.793132 0.13924 0.93425
C6 C 0.768426 0.139746 0.921309
C5 C 0.74174 0.130532 0.922159
C4 C 0.717312 0.131439 0.90867
C3 C 0.719595 0.140972 0.894148
OB O 0.79019 0.129837 0.948484
CG C 0.815047 0.128175 0.962444
CD C 0.807135 0.116369 0.976103
CE C 0.830747 0.117783 0.992455
OB O 0.917026 0.187809 0.839903
C8 C 0.894925 0.181788 0.848099
C9 C 0.869613 0.174436 0.839093
C10 C 0.8473 0.168084 0.84802
C C 0.821776 0.16019 0.838884
O O 0.815693 0.161545 0.823055
N11 N 0.850094 0.169157 0.86547
C7 C 0.874291 0.176427 0.874751
C6 C 0.897651 0.18266 0.866411
C5 C 0.922636 0.190013 0.875953
C4 C 0.923798 0.190779 0.894174
C3 C 0.900552 0.184251 0.902422
C2 C 0.875158 0.177134 0.893168
N N 0.851403 0.16984 0.899468
O O 0.82792 0.121612 0.900239
C C 0.803674 0.114378 0.896566
C10 C 0.784692 0.117029 0.880789
N11 N 0.791265 0.127881 0.86913
C7 C 0.772907 0.130249 0.853497
C2 C 0.780696 0.141844 0.842086
N N 0.806628 0.150445 0.848073
C9 C 0.758442 0.107744 0.876515
C8 C 0.73902 0.1099 0.860699
OB O 0.713436 0.100674 0.856556
CG C 0.701507 0.0913772 0.86964
CD C 0.672218 0.0832115 0.862608
OE2 O 0.661587 0.0843074 0.846739
OE1 O 0.659997 0.0755408 0.873417
C6 C 0.746678 0.120846 0.848739
C5 C 0.727795 0.123097 0.832806
C4 C 0.735293 0.134538 0.821316
C3 C 0.761547 0.143729 0.825891
OXT O 0.796168 0.103726 0.905925
CG2 C 1.13608 0.24815 1.31709
CG2 C 1.11085 0.238877 1.32158
O O 0.621808 0.146357 0.939177
C C 0.632771 0.155665 0.929662
C10 C 0.61468 0.163124 0.915624
N11 N 0.62341 0.17777 0.911598
C7 C 0.608656 0.186195 0.898331
C2 C 0.619692 0.201254 0.895311
N N 0.644901 0.206474 0.906173
C9 C 0.589097 0.156455 0.90586
C8 C 0.573221 0.164738 0.891978
C6 C 0.583208 0.179867 0.888083
C5 C 0.56806 0.188775 0.874398
C4 C 0.579091 0.203858 0.871078
C3 C 0.604895 0.209985 0.881482
OB O 0.547958 0.158022 0.882319
O O 0.616947 0.157126 0.861863
C C 0.640049 0.161439 0.871692
C10 C 0.655437 0.175107 0.867418
N11 N 0.67788 0.180975 0.879338
C7 C 0.693292 0.193877 0.875639
C2 C 0.715508 0.199321 0.888606
N N 0.719444 0.190496 0.903232
C9 C 0.648665 0.182436 0.85117
C8 C 0.664448 0.195727 0.846935
OB O 0.657597 0.202797 0.83074
CG C 0.639167 0.194985 0.816519
CD C 0.606863 0.20136 0.814075
OE2 O 0.588555 0.197577 0.800939
OE1 O 0.59924 0.210385 0.825329
C6 C 0.686964 0.201678 0.85964
C5 C 0.70403 0.214839 0.856503
C4 C 0.726475 0.220212 0.869483
C3 C 0.732468 0.212565 0.885599
OXT O 0.650245 0.154027 0.884972
O1 O 0.624119 0.161934 0.850909
C1 C 0.639642 0.161498 0.865405
C2 C 0.637475 0.149703 0.876698
C2 C 0.665383 0.185535 0.861823
C3 C 0.648512 0.189447 0.845955
C4 C 0.65656 0.203009 0.837537
C5 C 0.68095 0.212471 0.845053
C6 C 0.697834 0.208783 0.860882
C8 C 0.722531 0.218068 0.868738
C9 C 0.737621 0.212825 0.88475
C10 C 0.72795 0.199121 0.892357
O O 0.769952 0.196057 0.912944
C C 0.742674 0.193088 0.907977
N11 N 0.704648 0.190508 0.884358
C7 C 0.68936 0.195115 0.869039
N N 0.660027 0.172527 0.871065
OB O 0.732836 0.232007 0.861889
CG C 0.754856 0.241929 0.872698
CD C 0.758334 0.259485 0.867483
CE2 C 0.72934 0.266484 0.857784
CE1 C 0.784361 0.26282 0.857
OB O 0.565409 0.20308 0.858882
C8 C 0.587768 0.199722 0.872162
C9 C 0.609611 0.210704 0.878894
C10 C 0.631637 0.206474 0.892684
C C 0.654537 0.216854 0.900043
O O 0.659998 0.229533 0.893246
N11 N 0.631769 0.191698 0.898958
C7 C 0.610879 0.180893 0.892606
C6 C 0.588206 0.184534 0.878959
C5 C 0.566791 0.173198 0.872502
C4 C 0.568294 0.158175 0.879861
C3 C 0.591089 0.154416 0.893547
C2 C 0.611784 0.166011 0.90003
N N 0.63543 0.163878 0.912238
O1 O 0.695629 0.188681 0.987815
C1 C 0.68145 0.186478 0.973149
C2 C 0.652356 0.176686 0.970652
O2 O 0.64363 0.173882 0.987566
C3 C 0.635112 0.158093 0.989148
C4 C 0.600938 0.158882 0.987906
O3 O 0.591861 0.159766 0.969411
C2 C 0.710186 0.20447 0.959751
C3 C 0.734386 0.205213 0.973332
C4 C 0.757076 0.216395 0.972469
C5 C 0.75585 0.226646 0.95817
C6 C 0.731616 0.225786 0.944733
C8 C 0.729815 0.235931 0.930498
C9 C 0.705032 0.234576 0.917231
C10 C 0.682484 0.223253 0.918499
O O 0.645575 0.231854 0.896331
C C 0.656665 0.220978 0.906121
N11 N 0.68535 0.21359 0.932537
C7 C 0.709085 0.214674 0.945595
N N 0.686558 0.194325 0.959817
OB O 0.7528 0.246913 0.929636
CG C 0.751166 0.257294 0.914957
CD C 0.78107 0.266602 0.91561
CE2 C 0.808543 0.256975 0.923401
CE1 C 0.78053 0.281743 0.925923
OB O 0.789123 0.165516 0.968496
C8 C 0.764761 0.167978 0.955856
C9 C 0.767275 0.178383 0.942301
C10 C 0.741847 0.180692 0.929662
C C 0.743539 0.190967 0.91561
O O 0.766275 0.199239 0.914656
N11 N 0.715484 0.172963 0.930825
C7 C 0.712509 0.162806 0.94387
C6 C 0.737376 0.15999 0.956823
C5 C 0.734033 0.149444 0.970326
C4 C 0.706056 0.141749 0.970613
C3 C 0.681422 0.144495 0.957595
C2 C 0.684793 0.154793 0.943922
N N 0.662612 0.159247 0.9311
O O 0.623668 0.139652 0.921545
C C 0.641182 0.150999 0.921911
C10 C 0.668968 0.151871 0.932825
N11 N 0.688945 0.162464 0.928002
C7 C 0.716575 0.164927 0.937217
C2 C 0.735854 0.176203 0.931557
N N 0.725585 0.183721 0.916447
C9 C 0.676849 0.142786 0.947726
C8 C 0.705424 0.145002 0.957477
C6 C 0.725351 0.156207 0.952157
C5 C 0.753937 0.158811 0.961477
C4 C 0.77339 0.170005 0.955882
C3 C 0.764784 0.178689 0.940798
OB O 0.713868 0.136376 0.97226
O O 0.654756 0.180468 0.96196
C C 0.679454 0.184345 0.970103
C10 C 0.69573 0.196729 0.963842
N11 N 0.687676 0.202232 0.947451
C7 C 0.702886 0.214321 0.941099
C2 C 0.69342 0.219576 0.924211
N N 0.669366 0.211976 0.915153
C9 C 0.719968 0.20354 0.974626
C8 C 0.735803 0.215947 0.968417
OB O 0.759557 0.222581 0.979175
C6 C 0.72719 0.22145 0.951399
C5 C 0.742323 0.233999 0.94472
C4 C 0.733098 0.239218 0.927701
C3 C 0.708548 0.232007 0.917414
OXT O 0.69017 0.178076 0.983946
C1 C 0.578151 0.225833 0.710827
O1 O 0.599839 0.213449 0.710709
C2 C 0.55707 0.225974 0.693286
O2 O 0.537838 0.212365 0.692946
C3 C 0.535958 0.240279 0.691338
O3 O 0.519801 0.241881 0.705821
C1 C 0.660884 0.168485 0.713311
O1 O 0.635813 0.157998 0.716369
C2 C 0.681506 0.174117 0.72978
O2 O 0.698619 0.16085 0.737231
C3 C 0.705695 0.186301 0.726735
O3 O 0.693019 0.20103 0.720094
S S 0.429113 0.341648 0.846909
O O 0.455966 0.352936 0.849236
C1 C 0.399218 0.348093 0.857157
C2 C 0.411289 0.341495 0.8258
C1 C 0.957971 0.228437 1.0988
O1 O 0.967909 0.215806 1.08879
C2 C 0.923576 0.226257 1.09606
O2 O 0.913654 0.220684 1.11175
C3 C 0.907728 0.24108 1.08858
O3 O 0.87597 0.240244 1.08919
C1 C 0.77628 0.250789 1.0943
O1 O 0.771367 0.234729 1.09911
C2 C 0.766086 0.254124 1.07502
O2 O 0.733301 0.254807 1.07295
C3 C 0.775635 0.270196 1.06882
O3 O 0.806509 0.274603 1.07431
O O 0.464347 0.207652 0.386366
O O 0.926554 0.344971 0.492881
O O 1.12655 0.31536 0.599815
O O 0.891385 0.223959 0.859536
O O 0.620436 0.46319 0.743661
O O 0.488911 0.310152 0.688541
O O 0.616163 0.200594 0.740198
O O 0.383573 0.43768 0.829185
O O 0.470143 0.196434 0.624101
O O 0.806833 0.503711 0.740381
O O 0.829642 0.381498 0.715428
O O 0.252209 0.0722887 0.710121
O O 0.390236 0.433885 0.558289
O O 0.572551 0.542324 0.50441
O O 0.595597 0.254607 0.763516
O O 0.812365 0.486143 0.541741
O O 0.552319 0.492624 0.568968
O O 0.447846 0.223241 0.895664
O O 0.989648 0.318636 0.658961
O O 0.952418 0.151871 0.847027
O O 0.692306 0.312591 0.443669
O O 0.268966 0.152884 0.418912
O O 0.140001 0.208359 0.441734
O O 0.319442 0.0921902 0.755203
O O 0.967124 0.042301 0.691783
O O 0.594313 0.47066 0.416259
O O 0.506468 0.0961728 0.467497
O O 0.372353 0.355234 0.578483
O O 0.687631 0.34133 0.838805
O O 0.327306 0.150139 0.825878
O O 0.290377 0.0627091 0.661523
O O 0.384767 0.252851 0.363099
O O 0.190763 0.150316 0.489208
O O 0.848706 0.133089 0.630048
O O 0.667491 0.314359 0.88326
O O 0.292143 0.279057 0.53761
O O 0.193573 0.308479 0.647211
O O 0.47285 0.409412 0.786534
O O 0.152155 0.258931 0.446845
O O 0.85664 0.339786 0.450649
O O 0.80044 0.365568 0.383098
O O 0.437602 0.380296 0.603318
O O 0.144364 0.209384 0.591489
O O 0.888186 0.368596 0.67283
O O 0.468194 0.256822 0.691495
O O 0.58121 0.440885 0.73578
O O 0.908109 0.139322 0.628231
O O 0.184275 0.196552 0.777515
O O 0.565894 0.458783 0.621029
O O 1.0686 0.232738 0.678725
O O 0.322544 0.33664 0.481928
O O 0.598681 0.121742 0.477301
O O 0.980127 0.263668 0.828362
O O 0.816242 0.394837 0.80201
O O 0.775502 0.437244 0.789867
O O 0.964212 0.207687 0.543832
O O 0.293229 0.379566 0.488607
O O 0.301382 0.332599 0.673248
O O 0.296556 0.0827756 0.552903
O O 0.369852 0.0560989 0.448178
O O 0.72038 0.49346 0.458178
O O 0.198412 0.238252 0.483405
O O 0.927741 0.370469 0.470896
O O 0.683338 0.0774143 0.446884
O O 0.636086 0.122932 0.890214
O O 0.724876 0.033558 0.586378
O O 0.638871 0.0301527 0.709677
O O 0.893151 0.323561 0.689587
O O 0.483053 0.394907 0.738368
O O 0.183132 0.256775 0.680267
O O 0.480813 0.300608 0.857719
O O 0.476644 0.0126196 0.607854
O O 0.551329 0.418791 0.891521
O O 0.44469 0.433131 0.580954
O O 1.03841 0.27941 0.595659
O O 0.503582 0.435394 0.436127
O O 0.639008 0.4737 0.56434
O O 0.558505 0.367901 0.458282
O O 0.506631 0.27399 0.852268
O O 0.147225 0.11664 0.736838
O O 0.826175 0.105576 0.612899
O O 0.867468 0.368513 0.705612
O O 0.595577 0.306382 0.485614
O O 0.351172 0.209938 0.767529
O O 0.195979 0.357131 0.610808
O O 0.260957 0.127963 0.580078
O O 0.725883 0.0682236 0.55906
O O 0.448993 0.047839 0.530787
O O 1.10774 0.2385 0.620376
O O 1.05652 0.109193 0.648191
O O 0.969237 0.393482 0.476399
O O 0.77106 0.534677 0.520553
O O 0.634365 0.520137 0.669784
O O 0.551511 0.156207 0.421187
O O 0.574573 0.226917 0.784717
O O 0.596819 0.498986 0.636649
O O 0.492656 0.467019 0.675392
O O 0.748591 0.488111 0.572758
O O 0.422025 0.307572 0.887286
O O 0.797284 0.0648183 0.52548
O O 0.69656 0.480145 0.550551
O O 0.399803 0.0276665 0.673575
O O 0.147588 0.143576 0.62533
O O 0.795964 0.359924 0.803566
O O 0.649224 0.342049 0.889259
O O 0.870521 0.389086 0.612455
O O 1.05093 0.162358 0.731257
O O 0.417557 0.0207263 0.614049
O O 0.600406 0.447401 0.847092
O O 0.549126 0.245805 0.805357
O O 0.648709 0.107437 0.748615
O O 0.893545 0.496665 0.466412
O O 1.08535 0.285726 0.691691
O O 0.519921 0.358887 0.92944
O O 0.283744 0.0774143 0.499665
O O 0.663363 0.0119597 0.658439
O O 0.750185 0.114802 0.704305
O O 0.284387 0.0555333 0.530957
O O 0.280966 0.279988 0.737126
O O 0.607136 0.472651 0.602691
O O 0.340708 0.357626 0.66287
O O 0.15533 0.289461 0.490777
O O 0.670315 0.449333 0.717088
O O 0.902548 0.318188 0.469824
O O 0.784821 0.483339 0.714448
O O 0.424943 0.343698 0.908879
O O 1.15018 0.228284 0.779293
O O 0.611641 0.0817858 0.489038
O O 0.129049 0.235943 0.680986
O O 0.330442 0.402236 0.497757
O O 1.06372 0.12358 0.715912
O O 0.21485 0.0705213 0.628022
O O 0.501462 0.140866 0.859915
O O 1.01781 0.158623 0.81299
O O 0.665441 0.14757 0.829473
O O 0.636254 0.301916 1.00281
O O 0.865884 0.1555 0.74804
O O 0.722746 0.529186 0.753844
O O 0.71639 0.42202 0.377373
O O 0.491861 -0.00368808 0.65785
O O 0.474645 0.413854 0.452492
O O 0.814758 0.289084 0.412168
O O 0.428311 0.446599 0.643681
O O 0.801485 0.119621 0.729924
O O 0.923538 0.122143 0.53578
O O 0.922131 0.140112 0.503181
O O 0.253791 0.292973 0.682934
O O 0.845945 0.164726 0.483496
O O 0.75148 0.221697 0.427735
O O 0.13839 0.244014 0.533898
O O 0.89608 0.225774 0.470582
O O 0.407266 0.456108 0.858268
O O 0.1772 0.332681 0.487326
O O 0.765745 0.449545 0.437421
O O 0.892124 0.268982 0.90467
O O 0.517619 0.229462 0.403397
O O 0.639577 0.290015 0.350669
O O 0.325928 0.426415 0.523781
O O 0.968024 0.118832 0.492175
O O 0.804724 0.480334 0.445983
O O 0.268811 0.387366 0.581712
O O 0.857862 0.456202 0.648204
O O 0.563691 0.00848376 0.585568
O O 0.577902 0.172338 0.739897
O O 0.851553 0.392126 0.391254
O O 1.11636 0.287741 0.617422
O O 0.671957 0.368572 0.853602
O O 0.956037 0.344087 0.650361
O O 0.889385 0.13594 0.827211
O O 0.430577 0.0380355 0.728303
O O 0.432449 0.243107 0.814127
O O 0.70878 0.443818 0.464922
O O 0.465959 0.284253 0.391803
O O 0.547644 0.444207 0.865941
O O 0.972221 0.381204 0.625604
O O 0.425405 0.411439 0.605841
O O 0.450605 0.420641 0.719689
O O 0.29274 0.102218 0.809644
O O 0.343911 0.313192 0.460165
O O 0.300882 0.188846 0.792377
O O 0.490131 0.445987 0.737793
O O 0.853356 0.454494 0.75089
O O 0.365723 0.419263 0.612206
O O 0.257987 0.115685 0.610207
O O 0.758149 0.0783098 0.725271
O O 1.02117 0.138002 0.744864
O O 0.561197 0.030624 0.704997
O O 0.479665 0.245369 0.8427
O O 0.171677 0.0913654 0.731845
O O 0.578436 0.269736 0.82048
O O 0.829693 0.0237074 0.65074
O O 0.281014 0.126962 0.465798
O O 0.83756 0.0842485 0.708657
O O 0.577926 0.479144 0.751818
O O 0.76424 0.0396851 0.558811
O O 0.460024 0.460739 0.596469
O O 0.840771 0.331585 0.800677
O O 0.309407 0.316091 0.420651
O O 0.924884 0.405005 0.745008
O O 0.312481 0.262172 0.741021
O O 0.46629 0.346243 0.413684
O O 0.881818 0.348824 0.792952
O O 1.06443 0.287505 0.519285
O O 0.824094 0.0413819 0.548498
O O 0.553483 0.241728 0.837381
O O 0.331823 0.0617429 0.769176
O O 0.141481 0.250082 0.584431
O O 0.584586 0.0695786 0.739949
O O 0.839015 0.204294 0.454962
O O 0.237259 0.0560046 0.678973
O O 1.05177 0.258684 0.533624
O O 0.737592 0.0609299 0.511978
O O 0.911327 0.382983 0.643459
O O 0.992369 0.0466135 0.726525
O O 0.960333 0.26705 0.859588
O O 0.135761 0.270102 0.691547
O O 0.509854 0.474914 0.618298
O O 0.548299 0.392586 0.435905
O O 0.501127 0.435806 0.775398
O O 0.742648 0.00645708 0.60422
O O 0.415956 0.00400622 0.646113
O O 0.140239 0.233692 0.466373
O O 0.808526 0.179455 0.458426
O O 0.61575 0.503028 0.574157
O O 0.828723 0.450016 0.797632
O O 0.361368 0.462047 0.562654
O O 0.843755 0.470978 0.710278
O O 0.920089 0.413112 0.655197
O O 0.337664 0.416765 0.638741
O O 1.22814 0.325399 0.950928
O O 0.830721 0.23249 1.06859
O O 1.01885 0.207074 1.10365
O O 0.975469 0.157586 0.934028
O O 1.01981 0.402684 0.985331
O O 1.09067 0.236791 1.07935
O O 0.961922 0.212836 1.18745
O O 1.24296 0.22601 1.3982
O O 1.31252 0.175979 1.35584
O O 1.50388 0.43015 1.17157
O O 1.22507 0.165009 1.10749
O O 1.22831 0.310093 1.39806
O O 0.536321 0.329135 0.946092
O O 1.26781 0.274709 1.12965
O O 1.27672 0.246748 1.17068
O O 1.3259 0.259686 1.26842
O O 1.03385 0.576884 1.08195
O O 1.12323 0.493519 1.31294
O O 1.24086 0.170076 1.32609
O O 1.21929 0.303012 0.971228
O O 1.10361 0.197024 1.40964
O O 0.820507 0.0474737 1.13272
O O 1.00587 0.125465 0.892449
O O 1.4081 0.255797 1.25001
O O 1.31667 0.352606 1.06591
O O 0.60641 0.278633 1.25382
O O 0.652302 0.270184 1.11863
O O 0.954588 0.276135 0.913611
O O 0.896723 0.431199 1.03521
O O 1.09365 0.284772 1.44023
O O 0.872424 0.25628 1.36127
O O 1.20926 0.18854 1.41184
O O 1.0897 0.369692 0.903637
O O 1.12598 0.432554 1.26723
O O 0.874832 0.479215 1.04543
O O 1.19191 0.223052 0.953895
O O 0.703978 0.383702 0.918904
O O 0.990839 0.112681 1.27983
O O 0.846297 0.175567 0.96494
O O 1.17127 0.0835768 1.14924
O O 1.26324 0.121341 1.15365
O O 1.2472 0.151034 1.38438
O O 1.1929 0.554107 1.07271
O O 1.17563 0.350474 0.875613
O O 1.19861 0.419381 0.951098
O O 1.22676 0.20156 1.24926
O O 0.796897 0.184993 1.33434
O O 1.00022 0.366546 0.90616
O O 0.50812 0.292949 1.18533
O O 1.10404 0.219977 0.849524
O O 1.05077 0.0512678 1.25127
O O 0.889883 0.0637342 0.963307
O O 1.26638 0.3862 1.2482
O O 0.673573 0.302717 1.2642
O O 1.15557 0.268593 0.870267
O O 0.911884 0.232997 1.02998
O O 1.30327 0.11677 0.979515
O O 1.24189 0.193041 1.09875
O O 0.671337 0.35653 1.1617
O O 1.07665 0.170347 0.925453
O O 1.14197 0.369385 1.24567
O O 1.44283 0.409035 1.09728
O O 0.655978 0.0464486 0.857013
O O 0.609823 0.456744 1.08898
O O 0.964035 0.424919 1.31603
O O 0.54438 0.220896 1.28645
O O 0.855792 0.2991 1.32915
O O 1.19263 0.242046 0.999827
O O 0.786037 0.427558 1.27815
O O 0.897882 0.239996 0.896736
O O 0.958563 0.341542 0.923061
O O 1.39627 0.434121 1.0802
O O 1.12885 0.371235 1.34617
O O 0.780088 0.48989 1.0189
O O 0.565358 0.209407 1.20387
O O 0.965067 0.319508 1.36992
O O 0.941439 0.234647 0.878776
O O 0.6494 0.338938 1.19069
O O 0.79009 0.116381 1.30975
O O 1.22912 0.16766 1.07419
O O 0.841996 0.167307 0.792194
O O 1.18605 0.13019 1.12107
O O 1.13102 0.480735 1.06099
O O 1.35227 0.38488 0.9912
O O 1.51886 0.42929 1.13124
O O 0.909564 0.120894 1.3154
O O 1.20147 0.328864 1.44496
O O 0.697889 0.474018 1.05278
O O 1.35877 0.375324 1.02945
O O 0.995465 0.421596 0.897546
O O 0.623516 0.131439 1.23484
O O 0.627694 0.285467 1.08437
O O 1.30146 0.463861 1.07485
O O 0.922256 0.166022 0.950602
O O 1.16007 0.471662 1.01234
O O 1.06105 0.468657 1.06808
O O 0.875751 0.478402 1.25782
O O 1.25885 0.169675 0.917493
O O 1.0217 0.497148 1.2298
O O 1.30654 0.5041 1.20158
O O 1.16595 0.045777 1.17273
O O 0.786969 0.285691 1.33286
O O 1.31201 0.472027 1.19405
O O 1.20321 0.351982 0.974783
O O 0.494131 0.404935 1.08378
O O 0.69744 0.0879247 1.16583
O O 1.1098 0.395202 1.35795
O O 1.33389 0.165174 1.3037
O O 1.39537 0.288189 1.15327
O O 1.22834 0.548923 1.26236
O O 1.39389 0.200888 1.23148
O O 0.710215 0.315808 0.859418
O O 1.37394 0.211493 1.1698
O O 1.25864 0.149715 1.05045
O O 1.1027 0.342261 1.35664
O O 0.681107 0.220743 1.07702
O O 1.25237 0.124841 1.28447
O O 0.750193 0.092473 0.927165
O O 1.05293 0.491846 1.29351
O O 0.633878 0.325505 1.04429
O O 0.655642 0.200558 1.28887
O O 1.01592 0.339621 1.38651
O O 0.922673 0.207074 1.05862
O O 1.31935 0.277914 1.11452
O O 1.32695 0.384303 1.06994
O O 0.719299 0.352701 1.28576
O O 1.40241 0.384161 1.09742
O O 0.89242 0.190237 0.987972
O O 1.35006 0.124476 1.20339
O O 1.4138 0.279304 1.22867
O O 0.865319 0.130874 1.04274
O O 1.0835 0.118561 1.07678
O O 0.551602 0.356707 1.04116
O O 0.998385 0.26943 0.891704
O O 0.984395 0.113706 0.923675
O O 0.50435 0.400858 1.1896
O O 0.709882 0.442699 1.26059
O O 0.627086 0.158493 1.1654
O O 1.35412 0.152012 1.16528
O O 0.961259 0.0863458 1.29007
O O 0.889382 0.353549 0.932799
O O 0.969654 0.452008 1.32933
O O 0.797024 0.501649 1.25186
O O 1.19911 0.467915 1.33204
O O 1.35949 0.303 1.12541
O O 1.10228 0.426014 0.921976
O O 1.35786 0.252038 1.11485
O O 0.98304 0.437432 1.01291
O O 0.935917 0.13931 1.00712
O O 1.29205 0.272117 1.29534
O O 0.541868 0.367594 0.964339
O O 0.809802 0.202208 1.0808
O O 1.03687 0.167271 1.37721
O O 0.906951 0.381074 0.92425
O O 1.26167 0.504265 1.29447
O O 0.721422 0.421501 0.86713
O O 0.582772 0.339881 1.2731
O O 0.695542 0.36294 0.890331
O O 1.0087 0.239537 1.42012
O O 0.68446 0.326436 1.30612
O O 1.22658 0.24868 0.947726
O O 0.568531 0.331715 1.04793
O O 1.2678 0.148843 1.35281
O O 1.31801 0.402519 1.25539
O O 1.37032 0.333247 1.06919
O O 0.635669 0.291099 1.0379
O O 0.955035 0.308561 0.900239
O O 1.32458 0.434687 1.25391

#END
