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Mac Mania 1
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Peptides
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3 beta sheets (anti-parallel)-B
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Text File
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1991-05-01
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7KB
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281 lines
; Stick colour
2(0.700000, 0.700000, 0.700000)
; Model
BS
; Definitions
C = 23.477652, 9.391061(0.500000, 0.500000, 0.500000)
H = 14.086591, 5.634637(1.000000, 1.000000, 1.000000)
N = 23.477652, 9.391061(0.000000, 0.000000, 1.000000)
O = 21.912475, 9.078026(1.000000, 0.000000, 0.000000)
; Instances
N8 : 109.623618 95.638003 68.118443
C9 : 100.637204 77.509037 79.387402
C10 : 77.457079 76.579637 72.748299
O11 : 65.866649 91.748338 75.934234
C12 : 102.155937 81.107239 101.978466
H13 : 109.574620 108.980012 76.690031
H14 : 108.614047 63.949135 73.627667
N15 : 70.550375 59.551235 62.596726
C16 : 49.874315 56.431144 54.228162
C17 : 41.697275 35.059009 60.881577
O18 : 52.396751 20.078060 65.395736
C19 : 48.171781 57.300829 30.460498
H20 : 80.552687 48.279309 60.565854
H21 : 39.454883 67.745182 61.092379
N22 : 20.691979 34.253679 60.075436
C23 : 9.949240 15.139092 64.848102
C24 : -5.054300 11.172785 45.857136
O25 : -18.543944 24.514857 41.951295
C26 : -2.068285 13.811639 85.187222
H27 : 11.952967 46.807398 56.258666
H28 : 18.876409 0.590581 65.795966
N29 : -1.778303 -6.158336 35.427858
C30 : -17.380961 -12.125758 20.021884
C31 : -33.684129 -26.996969 28.567330
O32 : -27.869234 -43.120415 37.505703
C33 : -7.703898 -24.885775 2.513297
H34 : 9.133030 -15.764889 40.818758
H35 : -25.984140 0.604504 13.025745
N36 : -53.290582 -23.045171 25.239715
C37 : -71.220527 -35.921423 31.242407
C38 : -81.923348 -45.314727 11.802356
O39 : -89.273880 -33.853273 -1.270809
C40 : -87.825552 -22.119749 41.285800
H41 : -57.764674 -9.472555 18.769267
H42 : -68.470102 -48.214028 42.167460
N43 : -81.722346 -65.496502 10.267745
C44 : -90.921953 -76.588959 -7.506819
C45 : -107.022435 -92.151127 0.260202
O46 : -103.953703 -103.161257 15.658583
C47 : -74.065737 -89.661592 -17.198186
H48 : -75.217214 -74.641638 21.605730
H49 : -97.237214 -66.103285 -19.199758
N50 : -124.414801 -92.516853 -10.704668
C51 : -142.105364 -106.121958 -5.905496
C52 : -135.420758 -128.881656 -8.461881
O53 : -124.539807 -135.129377 -23.162250
C54 : -160.595638 -98.818957 -19.719401
H55 : -127.578628 -83.757183 -23.272956
H56 : -145.797285 -103.567937 10.445510
N57 : -141.499979 -141.130287 6.854838
N101 : -91.909167 -110.893452 54.498374
C102 : -70.786348 -118.114694 59.559410
C103 : -58.546835 -97.391919 62.803182
O104 : -60.878949 -84.260397 48.224962
C105 : -62.135992 -131.804066 41.740763
H106 : -92.814033 -105.754482 39.277119
H107 : -71.087558 -127.899518 73.129606
N108 : -46.855406 -94.998468 79.143320
C109 : -33.257031 -77.280617 84.463110
C110 : -10.811707 -81.068484 78.257672
O111 : -1.423756 -96.553454 85.258817
C112 : -34.134675 -75.392150 108.530355
H113 : -45.423781 -106.271349 89.589309
H114 : -39.606753 -62.367813 80.171457
N115 : -1.073295 -69.481493 64.655685
C116 : 20.783239 -70.633736 58.597254
C117 : 31.559845 -49.822123 64.156053
O118 : 25.990310 -33.124161 56.160421
C119 : 22.813653 -75.587781 35.146581
H120 : -8.076243 -56.621514 58.656894
H121 : 28.749145 -83.025386 66.868814
N122 : 47.776881 -49.777918 76.769505
C123 : 60.300123 -31.659829 83.640690
C124 : 79.243212 -29.797597 69.800199
O125 : 89.194435 -46.565546 64.461160
C126 : 62.832131 -33.914796 107.198897
H127 : 53.010910 -63.140916 83.077098
H128 : 50.624180 -18.032570 81.784220
N129 : 84.082848 -11.325756 61.100228
C130 : 102.905407 -8.439528 48.075498
C131 : 110.022022 14.504201 48.672984
O132 : 99.761579 28.159813 57.790258
C133 : 101.560450 -14.946892 25.416464
H134 : 75.604353 1.058893 65.960755
H135 : 114.606049 -18.797781 54.780058
N136 : 127.723100 18.954743 39.850572
C137 : 139.279932 38.247941 36.719361
C138 : 142.993589 39.539648 13.003573
O139 : 156.560544 27.205528 6.068630
C140 : 160.065100 40.510766 48.452856
H141 : 135.668984 7.424005 32.895304
H142 : 131.137856 51.800024 41.764185
N143 : 133.087146 53.448906 2.308461
N201 : -132.203584 -22.240579 -52.444719
C202 : -110.625251 -16.712963 -47.229194
C203 : -109.372347 5.359440 -38.692480
O204 : -116.626883 19.626013 -49.795052
C205 : -97.043105 -16.142748 -67.084514
H206 : -140.189438 -10.895584 -60.640255
H207 : -104.883435 -29.348485 -37.662379
N208 : -98.544958 7.004775 -21.494072
C209 : -95.074983 27.947884 -13.096940
C210 : -74.628865 30.716546 -1.455096
O211 : -71.499259 17.350496 12.246436
C212 : -113.943297 33.083473 0.694964
H213 : -92.762425 -5.883222 -14.738309
H214 : -95.853681 38.334888 -26.335720
N215 : -62.701645 47.431464 -5.886231
C216 : -43.807155 52.605313 5.129482
C217 : -45.616014 70.443985 21.352345
O218 : -54.262129 88.344988 18.226967
C219 : -26.423641 59.210369 -9.995152
H220 : -67.852551 57.587436 -16.911588
H221 : -37.118116 39.214424 12.775371
N222 : -37.285244 66.233735 39.546491
C223 : -34.846375 80.163544 57.314357
C224 : -11.327987 86.797194 57.987861
O225 : 3.116054 73.874731 52.205724
C226 : -40.577883 73.228153 79.777740
H227 : -30.111743 52.043692 42.336673
H228 : -44.310319 94.074840 56.230586
N229 : -8.137277 106.849272 63.018887
C230 : 12.111883 117.462522 63.510099
C231 : 13.995015 127.397790 85.915762
O232 : 1.958997 140.280161 94.938897
C233 : 16.278233 132.986262 45.621878
H234 : -20.873200 115.634259 66.274513
H235 : 23.484271 105.072055 62.083902
N236 : 30.423909 119.680229 95.418070
C237 : 37.885803 124.011594 116.914657
C238 : 55.928941 139.677615 118.427589
O239 : 73.419908 136.538179 126.532329
C240 : 45.239138 104.016728 127.940540
H241 : 39.839710 109.078749 88.533358
H242 : 25.242469 129.637772 126.359355
N243 : 51.928722 157.574009 110.080813
; Bonds
N8, C9
C9, C10
C10, O11
C9, H14
C9, C12
N8, H13
C10, N15
N15, C16
C16, C17
C17, O18
C16, H21
C16, C19
N15, H20
C17, N22
N22, C23
C23, C24
C24, O25
C23, H28
C23, C26
N22, H27
C24, N29
N29, C30
C30, C31
C31, O32
C30, H35
C30, C33
N29, H34
C31, N36
N36, C37
C37, C38
C38, O39
C37, H42
C37, C40
N36, H41
C38, N43
N43, C44
C44, C45
C45, O46
C44, H49
C44, C47
N43, H48
C45, N50
N50, C51
C51, C52
C52, O53
C51, H56
C51, C54
N50, H55
C52, N57
N101, C102
C102, C103
C103, O104
C102, H107
C102, C105
N101, H106
C103, N108
N108, C109
C109, C110
C110, O111
C109, H114
C109, C112
N108, H113
C110, N115
N115, C116
C116, C117
C117, O118
C116, H121
C116, C119
N115, H120
C117, N122
N122, C123
C123, C124
C124, O125
C123, H128
C123, C126
N122, H127
C124, N129
N129, C130
C130, C131
C131, O132
C130, H135
C130, C133
N129, H134
C131, N136
N136, C137
C137, C138
C138, O139
C137, H142
C137, C140
N136, H141
C138, N143
N201, C202
C202, C203
C203, O204
C202, H207
C202, C205
N201, H206
C203, N208
N208, C209
C209, C210
C210, O211
C209, H214
C209, C212
N208, H213
C210, N215
N215, C216
C216, C217
C217, O218
C216, H221
C216, C219
N215, H220
C217, N222
N222, C223
C223, C224
C224, O225
C223, H228
C223, C226
N222, H227
C224, N229
N229, C230
C230, C231
C231, O232
C230, H235
C230, C233
N229, H234
C231, N236
N236, C237
C237, C238
C238, O239
C237, H242
C237, C240
N236, H241
C238, N243