NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
613185 |
2ncw   |
26038 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H TRP 1 1.807 0.000 0.856
2 HA TRP 1 HA TRP 1 3.138 0.085 -0.987
3 HB2 TRP 1 2HB TRP 1 1.464 -2.046 -1.325
4 HB3 TRP 1 3HB TRP 1 1.168 -1.136 -2.804
5 HD1 TRP 1 HD1 TRP 1 2.578 -2.151 -4.673
6 HE1 TRP 1 HE1 TRP 1 4.987 -3.025 -4.909
7 HE3 TRP 1 HE3 TRP 1 4.121 -1.590 0.168
8 HZ2 TRP 1 HZ2 TRP 1 7.243 -3.425 -3.260
9 HZ3 TRP 1 HZ3 TRP 1 6.420 -2.242 0.756
10 HH2 TRP 1 HH2 TRP 1 7.947 -3.141 -0.923
11 H TRP 2 H TRP 2 3.462 2.065 -1.767
12 HA TRP 2 HA TRP 2 1.288 3.502 -3.072
13 HB2 TRP 2 2HB TRP 2 2.282 5.281 -2.155
14 HB3 TRP 2 3HB TRP 2 3.571 4.250 -1.542
15 HD1 TRP 2 HD1 TRP 2 2.857 6.892 -4.121
16 HE1 TRP 2 HE1 TRP 2 5.008 7.418 -5.434
17 HE3 TRP 2 HE3 TRP 2 5.787 3.048 -2.455
18 HZ2 TRP 2 HZ2 TRP 2 7.602 6.346 -5.726
19 HZ3 TRP 2 HZ3 TRP 2 8.091 2.870 -3.300
20 HH2 TRP 2 HH2 TRP 2 8.978 4.485 -4.902
21 H TRP 3 H TRP 3 4.165 1.759 -3.858
22 HA TRP 3 HA TRP 3 4.340 2.862 -6.537
23 HB2 TRP 3 2HB TRP 3 6.201 1.771 -4.841
24 HB3 TRP 3 3HB TRP 3 5.897 0.440 -5.954
25 HD1 TRP 3 HD1 TRP 3 6.003 4.182 -6.916
26 HE1 TRP 3 HE1 TRP 3 7.876 4.508 -8.651
27 HE3 TRP 3 HE3 TRP 3 7.944 -0.548 -6.913
28 HZ2 TRP 3 HZ2 TRP 3 9.907 2.964 -9.859
29 HZ3 TRP 3 HZ3 TRP 3 9.851 -1.041 -8.388
30 HH2 TRP 3 HH2 TRP 3 10.810 0.680 -9.830
31 H LYS 4 H LYS 4 1.989 1.250 -5.508
32 HA LYS 4 HA LYS 4 1.895 -1.272 -6.688
33 HB2 LYS 4 2HB LYS 4 0.207 -0.081 -5.115
34 HB3 LYS 4 3HB LYS 4 -0.506 0.531 -6.602
35 HG2 LYS 4 2HG LYS 4 -1.126 -1.603 -7.322
36 HG3 LYS 4 3HG LYS 4 -0.038 -2.399 -6.183
37 HD2 LYS 4 2HD LYS 4 -1.767 -2.601 -4.795
38 HD3 LYS 4 3HD LYS 4 -1.745 -0.846 -4.608
39 HE2 LYS 4 2HE LYS 4 -3.527 -0.543 -5.979
40 HE3 LYS 4 3HE LYS 4 -3.101 -1.907 -7.012
41 HZ1 LYS 4 3HZ LYS 4 -3.937 -3.413 -5.337
42 HZ2 LYS 4 1HZ LYS 4 -5.141 -2.302 -5.759
43 HZ3 LYS 4 2HZ LYS 4 -4.299 -2.124 -4.303
44 H TYR 5 H TYR 5 1.896 1.832 -8.133
45 HA TYR 5 HA TYR 5 0.465 1.388 -10.485
46 HB2 TYR 5 2HB TYR 5 2.970 3.062 -10.277
47 HB3 TYR 5 3HB TYR 5 1.628 3.274 -11.396
48 HD1 TYR 5 HD2 TYR 5 -0.720 3.150 -9.717
49 HD2 TYR 5 HD1 TYR 5 3.061 4.924 -8.908
50 HE1 TYR 5 HE2 TYR 5 -1.793 4.703 -8.140
51 HE2 TYR 5 HE1 TYR 5 1.999 6.482 -7.328
52 HH TYR 5 HH TYR 5 -1.189 7.107 -7.225
53 H GLU 6 H GLU 6 3.604 0.287 -9.501
54 HA GLU 6 HA GLU 6 4.283 -0.584 -12.203
55 HB2 GLU 6 2HB GLU 6 5.945 -1.129 -9.764
56 HB3 GLU 6 3HB GLU 6 6.463 -0.950 -11.434
57 HG2 GLU 6 2HG GLU 6 5.422 1.269 -9.687
58 HG3 GLU 6 3HG GLU 6 7.120 0.951 -10.040
59 H ILE 7 H ILE 7 2.536 -1.741 -9.645
60 HA ILE 7 HA ILE 7 3.266 -4.543 -10.126
61 HB ILE 7 HB ILE 7 1.798 -3.174 -7.895
62 HG12 ILE 7 2HG1 ILE 7 4.266 -3.432 -7.799
63 HG13 ILE 7 3HG1 ILE 7 3.442 -4.300 -6.508
64 HG21 ILE 7 1HG2 ILE 7 0.332 -4.944 -8.217
65 HG22 ILE 7 2HG2 ILE 7 1.612 -6.042 -8.729
66 HG23 ILE 7 3HG2 ILE 7 1.468 -5.587 -7.032
67 HD11 ILE 7 3HD1 ILE 7 5.204 -5.666 -7.359
68 HD12 ILE 7 1HD1 ILE 7 3.664 -6.376 -7.844
69 HD13 ILE 7 2HD1 ILE 7 4.624 -5.468 -9.013
70 H THR 8 H THR 8 0.561 -2.290 -10.244
71 HA THR 8 HA THR 8 -1.560 -3.966 -10.727
72 HB THR 8 HB THR 8 -1.705 -1.481 -10.532
73 HG1 THR 8 HG1 THR 8 -3.460 -2.767 -11.367
74 HG21 THR 8 3HG2 THR 8 -1.243 -0.049 -12.339
75 HG22 THR 8 1HG2 THR 8 -1.103 -1.389 -13.477
76 HG23 THR 8 2HG2 THR 8 0.150 -1.128 -12.263
77 H THR 9 H THR 9 1.123 -3.251 -12.799
78 HA THR 9 HA THR 9 0.074 -3.883 -15.302
79 HB THR 9 HB THR 9 2.231 -2.954 -15.314
80 HG1 THR 9 HG1 THR 9 2.766 -5.704 -15.798
81 HG21 THR 9 3HG2 THR 9 3.846 -4.990 -14.092
82 HG22 THR 9 1HG2 THR 9 2.605 -4.452 -12.961
83 HG23 THR 9 2HG2 THR 9 3.711 -3.281 -13.680
84 H ILE 10 H ILE 10 1.688 -6.022 -12.955
85 HA ILE 10 HA ILE 10 0.826 -8.348 -14.506
86 HB ILE 10 HB ILE 10 2.372 -9.644 -13.301
87 HG12 ILE 10 2HG1 ILE 10 1.634 -8.529 -11.073
88 HG13 ILE 10 3HG1 ILE 10 3.271 -9.162 -11.202
89 HG21 ILE 10 1HG2 ILE 10 4.486 -8.187 -13.318
90 HG22 ILE 10 2HG2 ILE 10 3.601 -8.384 -14.830
91 HG23 ILE 10 3HG2 ILE 10 3.425 -6.901 -13.892
92 HD11 ILE 10 3HD1 ILE 10 4.184 -7.151 -10.925
93 HD12 ILE 10 1HD1 ILE 10 3.035 -6.374 -12.015
94 HD13 ILE 10 2HD1 ILE 10 2.594 -6.669 -10.333
95 H HIS 11 H HIS 11 0.068 -6.595 -11.643
96 HA HIS 11 HA HIS 11 -1.083 -8.541 -10.030
97 HB2 HIS 11 2HB HIS 11 -0.724 -6.184 -9.354
98 HB3 HIS 11 3HB HIS 11 -2.046 -5.697 -10.411
99 HD1 HIS 11 HD1 HIS 11 -2.464 -8.808 -8.420
100 HD2 HIS 11 HD2 HIS 11 -3.486 -4.789 -8.155
101 HE1 HIS 11 HE1 HIS 11 -4.172 -8.668 -6.579
102 H ASN 12 H ASN 12 -2.121 -7.333 -13.062
103 HA ASN 12 HA ASN 12 -4.903 -7.959 -12.760
104 HB2 ASN 12 2HB ASN 12 -3.133 -7.077 -14.994
105 HB3 ASN 12 3HB ASN 12 -4.667 -7.837 -15.408
106 HD21 ASN 12 1HD2 ASN 12 -3.517 -5.491 -13.000
107 HD22 ASN 12 2HD2 ASN 12 -4.768 -4.333 -13.285
108 H LEU 13 H LEU 13 -2.084 -9.763 -13.390
109 HA LEU 13 HA LEU 13 -3.715 -12.044 -14.296
110 HB2 LEU 13 2HB LEU 13 -1.995 -12.804 -15.658
111 HB3 LEU 13 3HB LEU 13 -1.992 -11.060 -15.911
112 HG LEU 13 HG LEU 13 -0.166 -11.478 -13.849
113 HD11 LEU 13 1HD1 LEU 13 -0.195 -13.876 -14.351
114 HD12 LEU 13 2HD1 LEU 13 1.366 -13.147 -14.725
115 HD13 LEU 13 3HD1 LEU 13 0.237 -13.527 -16.025
116 HD21 LEU 13 3HD2 LEU 13 0.369 -11.154 -16.800
117 HD22 LEU 13 1HD2 LEU 13 1.459 -10.737 -15.478
118 HD23 LEU 13 2HD2 LEU 13 -0.047 -9.844 -15.693
119 H PHE 14 H PHE 14 -1.557 -10.802 -11.956
120 HA PHE 14 HA PHE 14 -0.613 -13.322 -10.964
121 HB2 PHE 14 2HB PHE 14 -0.177 -10.510 -10.392
122 HB3 PHE 14 3HB PHE 14 -0.351 -11.445 -8.911
123 HD1 PHE 14 HD2 PHE 14 1.201 -13.299 -8.430
124 HD2 PHE 14 HD1 PHE 14 1.739 -10.725 -11.776
125 HE1 PHE 14 HE2 PHE 14 3.532 -14.059 -8.635
126 HE2 PHE 14 HE1 PHE 14 4.071 -11.481 -11.988
127 HZ PHE 14 HZ PHE 14 4.971 -13.150 -10.415
128 H ARG 15 H ARG 15 -3.418 -11.373 -10.498
129 HA ARG 15 HA ARG 15 -4.224 -12.101 -7.941
130 HB2 ARG 15 2HB ARG 15 -6.510 -11.597 -8.689
131 HB3 ARG 15 3HB ARG 15 -5.366 -10.380 -9.239
132 HG2 ARG 15 2HG ARG 15 -6.569 -10.681 -11.145
133 HG3 ARG 15 3HG ARG 15 -5.309 -11.891 -11.393
134 HD2 ARG 15 2HD ARG 15 -6.775 -13.572 -11.316
135 HD3 ARG 15 3HD ARG 15 -7.552 -12.928 -9.871
136 HE ARG 15 HE ARG 15 -8.443 -11.320 -11.879
137 HH11 ARG 15 1HH1 ARG 15 -8.433 -14.756 -11.320
138 HH12 ARG 15 2HH1 ARG 15 -9.891 -15.037 -12.212
139 HH21 ARG 15 1HH2 ARG 15 -10.364 -11.678 -13.056
140 HH22 ARG 15 2HH2 ARG 15 -10.988 -13.286 -13.200
141 H LYS 16 H LYS 16 -4.175 -13.943 -10.872
142 HA LYS 16 HA LYS 16 -6.041 -15.945 -10.066
143 HB2 LYS 16 2HB LYS 16 -5.390 -17.126 -12.017
144 HB3 LYS 16 3HB LYS 16 -5.336 -15.420 -12.442
145 HG2 LYS 16 2HG LYS 16 -3.353 -16.028 -13.327
146 HG3 LYS 16 3HG LYS 16 -2.799 -15.739 -11.676
147 HD2 LYS 16 2HD LYS 16 -1.932 -17.817 -11.925
148 HD3 LYS 16 3HD LYS 16 -3.561 -18.302 -11.447
149 HE2 LYS 16 2HE LYS 16 -4.144 -18.928 -13.577
150 HE3 LYS 16 3HE LYS 16 -2.999 -17.820 -14.332
151 HZ1 LYS 16 3HZ LYS 16 -2.041 -20.130 -12.768
152 HZ2 LYS 16 1HZ LYS 16 -1.246 -19.266 -13.987
153 HZ3 LYS 16 2HZ LYS 16 -2.507 -20.322 -14.383
154 H LEU 17 H LEU 17 -2.661 -15.389 -9.524
155 HA LEU 17 HA LEU 17 -2.153 -18.096 -8.625
156 HB2 LEU 17 2HB LEU 17 -0.502 -16.509 -9.801
157 HB3 LEU 17 3HB LEU 17 -0.329 -15.751 -8.220
158 HG LEU 17 HG LEU 17 0.119 -18.361 -7.605
159 HD11 LEU 17 1HD1 LEU 17 1.893 -18.918 -9.451
160 HD12 LEU 17 2HD1 LEU 17 0.837 -17.934 -10.464
161 HD13 LEU 17 3HD1 LEU 17 0.201 -19.369 -9.662
162 HD21 LEU 17 3HD2 LEU 17 2.070 -16.236 -8.475
163 HD22 LEU 17 1HD2 LEU 17 2.531 -17.728 -7.655
164 HD23 LEU 17 2HD2 LEU 17 1.492 -16.559 -6.840
165 H THR 18 H THR 18 -2.777 -14.934 -7.245
166 HA THR 18 HA THR 18 -2.018 -15.339 -4.613
167 HB THR 18 HB THR 18 -3.620 -13.620 -3.986
168 HG1 THR 18 HG1 THR 18 -5.162 -12.898 -5.497
169 HG21 THR 18 3HG2 THR 18 -2.860 -11.841 -5.401
170 HG22 THR 18 1HG2 THR 18 -2.515 -12.963 -6.716
171 HG23 THR 18 2HG2 THR 18 -1.544 -13.004 -5.245
172 H HIS 19 H HIS 19 -4.947 -16.361 -6.280
173 HA HIS 19 HA HIS 19 -6.463 -17.154 -4.073
174 HB2 HIS 19 2HB HIS 19 -7.172 -17.003 -6.528
175 HB3 HIS 19 3HB HIS 19 -6.469 -18.607 -6.715
176 HD1 HIS 19 HD1 HIS 19 -7.653 -20.567 -5.423
177 HD2 HIS 19 HD2 HIS 19 -9.653 -16.927 -5.313
178 HE1 HIS 19 HE1 HIS 19 -9.979 -21.102 -4.631
179 H ARG 20 H ARG 20 -3.644 -18.543 -5.458
180 HA ARG 20 HA ARG 20 -4.069 -21.059 -4.002
181 HB2 ARG 20 2HB ARG 20 -1.864 -20.478 -5.975
182 HB3 ARG 20 3HB ARG 20 -2.411 -22.046 -5.396
183 HG2 ARG 20 2HG ARG 20 -4.063 -20.181 -7.085
184 HG3 ARG 20 3HG ARG 20 -3.121 -21.537 -7.707
185 HD2 ARG 20 2HD ARG 20 -4.508 -22.833 -5.839
186 HD3 ARG 20 3HD ARG 20 -5.646 -21.522 -6.151
187 HE ARG 20 HE ARG 20 -6.182 -22.554 -8.106
188 HH11 ARG 20 1HH1 ARG 20 -3.006 -23.607 -7.146
189 HH12 ARG 20 2HH1 ARG 20 -2.844 -24.737 -8.449
190 HH21 ARG 20 1HH2 ARG 20 -5.981 -24.038 -9.827
191 HH22 ARG 20 2HH2 ARG 20 -4.536 -24.981 -9.974
192 H LEU 21 H LEU 21 -2.123 -18.192 -4.122
193 HA LEU 21 HA LEU 21 -0.008 -19.173 -2.463
194 HB2 LEU 21 2HB LEU 21 -0.797 -16.580 -3.644
195 HB3 LEU 21 3HB LEU 21 0.192 -16.511 -2.187
196 HG LEU 21 HG LEU 21 1.449 -16.373 -4.353
197 HD11 LEU 21 1HD1 LEU 21 3.061 -18.297 -3.616
198 HD12 LEU 21 2HD1 LEU 21 1.984 -18.386 -2.223
199 HD13 LEU 21 3HD1 LEU 21 2.827 -16.881 -2.591
200 HD21 LEU 21 3HD2 LEU 21 1.834 -18.478 -5.561
201 HD22 LEU 21 1HD2 LEU 21 0.150 -17.962 -5.646
202 HD23 LEU 21 2HD2 LEU 21 0.618 -19.266 -4.555
203 H PHE 22 H PHE 22 -2.250 -16.491 -1.782
204 HA PHE 22 HA PHE 22 -1.925 -16.434 0.952
205 HB2 PHE 22 2HB PHE 22 -4.340 -15.756 -0.727
206 HB3 PHE 22 3HB PHE 22 -4.251 -15.425 0.999
207 HD1 PHE 22 HD1 PHE 22 -2.905 -14.560 -2.301
208 HD2 PHE 22 HD2 PHE 22 -2.908 -13.641 1.855
209 HE1 PHE 22 HE1 PHE 22 -1.772 -12.427 -2.775
210 HE2 PHE 22 HE2 PHE 22 -1.776 -11.507 1.387
211 HZ PHE 22 HZ PHE 22 -1.207 -10.897 -0.930
212 H ARG 23 H ARG 23 -3.926 -18.561 -0.976
213 HA ARG 23 HA ARG 23 -5.301 -19.669 1.306
214 HB2 ARG 23 2HB ARG 23 -5.209 -20.491 -1.600
215 HB3 ARG 23 3HB ARG 23 -6.189 -21.298 -0.384
216 HG2 ARG 23 2HG ARG 23 -6.432 -18.423 -1.244
217 HG3 ARG 23 3HG ARG 23 -7.527 -19.742 -1.665
218 HD2 ARG 23 2HD ARG 23 -7.883 -20.045 0.829
219 HD3 ARG 23 3HD ARG 23 -7.054 -18.503 1.034
220 HE ARG 23 HE ARG 23 -8.922 -17.424 0.247
221 HH11 ARG 23 1HH1 ARG 23 -9.192 -20.836 -0.387
222 HH12 ARG 23 2HH1 ARG 23 -10.850 -20.746 -0.882
223 HH21 ARG 23 1HH2 ARG 23 -11.105 -17.292 -0.401
224 HH22 ARG 23 2HH2 ARG 23 -11.937 -18.729 -0.890
225 H ARG 24 H ARG 24 -2.527 -20.457 -0.674
226 HA ARG 24 HA ARG 24 -1.824 -22.568 1.223
227 HB2 ARG 24 2HB ARG 24 -2.474 -22.950 -1.622
228 HB3 ARG 24 3HB ARG 24 -0.959 -23.684 -1.115
229 HG2 ARG 24 2HG ARG 24 -2.055 -25.381 -0.219
230 HG3 ARG 24 3HG ARG 24 -2.952 -24.279 0.828
231 HD2 ARG 24 2HD ARG 24 -4.722 -25.119 -0.300
232 HD3 ARG 24 3HD ARG 24 -4.270 -23.880 -1.471
233 HE ARG 24 HE ARG 24 -2.826 -26.012 -2.270
234 HH11 ARG 24 1HH1 ARG 24 -6.198 -25.579 -1.520
235 HH12 ARG 24 2HH1 ARG 24 -6.735 -26.793 -2.632
236 HH21 ARG 24 1HH2 ARG 24 -3.521 -27.613 -3.738
237 HH22 ARG 24 2HH2 ARG 24 -5.212 -27.950 -3.893
Start of MODEL 2
1 H1 TRP 1 H TRP 1 1.487 -0.027 1.023
2 HA TRP 1 HA TRP 1 3.709 -0.453 -0.501
3 HB2 TRP 1 2HB TRP 1 2.179 -2.659 -0.891
4 HB3 TRP 1 3HB TRP 1 1.597 -1.633 -2.199
5 HD1 TRP 1 HD1 TRP 1 2.790 -2.324 -4.348
6 HE1 TRP 1 HE1 TRP 1 5.201 -2.931 -5.013
7 HE3 TRP 1 HE3 TRP 1 4.986 -2.090 0.263
8 HZ2 TRP 1 HZ2 TRP 1 7.703 -3.267 -3.750
9 HZ3 TRP 1 HZ3 TRP 1 7.393 -2.568 0.448
10 HH2 TRP 1 HH2 TRP 1 8.721 -3.145 -1.518
11 H TRP 2 H TRP 2 3.842 1.605 -1.112
12 HA TRP 2 HA TRP 2 1.487 3.085 -1.917
13 HB2 TRP 2 2HB TRP 2 2.669 4.915 -1.352
14 HB3 TRP 2 3HB TRP 2 3.838 3.789 -0.668
15 HD1 TRP 2 HD1 TRP 2 6.187 3.656 -1.795
16 HE1 TRP 2 HE1 TRP 2 7.310 4.910 -3.742
17 HE3 TRP 2 HE3 TRP 2 2.079 6.016 -3.717
18 HZ2 TRP 2 HZ2 TRP 2 6.554 6.668 -5.818
19 HZ3 TRP 2 HZ3 TRP 2 2.365 7.466 -5.684
20 HH2 TRP 2 HH2 TRP 2 4.557 7.785 -6.711
21 H TRP 3 H TRP 3 4.275 1.595 -3.401
22 HA TRP 3 HA TRP 3 3.707 2.790 -5.989
23 HB2 TRP 3 2HB TRP 3 6.028 1.893 -4.788
24 HB3 TRP 3 3HB TRP 3 5.662 0.615 -5.944
25 HD1 TRP 3 HD1 TRP 3 4.978 4.349 -6.604
26 HE1 TRP 3 HE1 TRP 3 6.408 5.088 -8.613
27 HE3 TRP 3 HE3 TRP 3 7.693 0.071 -7.286
28 HZ2 TRP 3 HZ2 TRP 3 8.419 4.000 -10.268
29 HZ3 TRP 3 HZ3 TRP 3 9.349 0.002 -9.104
30 HH2 TRP 3 HH2 TRP 3 9.703 1.927 -10.564
31 H LYS 4 H LYS 4 1.778 0.971 -4.678
32 HA LYS 4 HA LYS 4 1.785 -1.567 -5.879
33 HB2 LYS 4 2HB LYS 4 0.302 -0.540 -3.965
34 HB3 LYS 4 3HB LYS 4 -0.782 -0.145 -5.293
35 HG2 LYS 4 2HG LYS 4 -1.010 -2.449 -5.883
36 HG3 LYS 4 3HG LYS 4 0.244 -2.918 -4.733
37 HD2 LYS 4 2HD LYS 4 -1.133 -2.330 -2.877
38 HD3 LYS 4 3HD LYS 4 -2.326 -1.566 -3.929
39 HE2 LYS 4 2HE LYS 4 -3.269 -3.638 -3.395
40 HE3 LYS 4 3HE LYS 4 -2.584 -3.874 -5.002
41 HZ1 LYS 4 3HZ LYS 4 -2.141 -5.673 -3.313
42 HZ2 LYS 4 1HZ LYS 4 -1.107 -4.582 -2.537
43 HZ3 LYS 4 2HZ LYS 4 -0.784 -5.069 -4.124
44 H TYR 5 H TYR 5 1.218 1.515 -7.202
45 HA TYR 5 HA TYR 5 -0.631 0.939 -9.229
46 HB2 TYR 5 2HB TYR 5 1.645 2.914 -9.429
47 HB3 TYR 5 3HB TYR 5 0.107 2.966 -10.283
48 HD1 TYR 5 HD2 TYR 5 -1.844 2.484 -8.180
49 HD2 TYR 5 HD1 TYR 5 1.729 4.792 -8.073
50 HE1 TYR 5 HE2 TYR 5 -2.797 3.868 -6.384
51 HE2 TYR 5 HE1 TYR 5 0.786 6.181 -6.276
52 HH TYR 5 HH TYR 5 -1.766 5.334 -4.446
53 H GLU 6 H GLU 6 2.884 0.623 -9.116
54 HA GLU 6 HA GLU 6 3.192 -0.096 -11.850
55 HB2 GLU 6 2HB GLU 6 4.984 0.781 -10.254
56 HB3 GLU 6 3HB GLU 6 5.070 -0.856 -9.619
57 HG2 GLU 6 2HG GLU 6 5.537 -1.621 -11.972
58 HG3 GLU 6 3HG GLU 6 5.718 0.080 -12.398
59 H ILE 7 H ILE 7 2.582 -1.887 -8.902
60 HA ILE 7 HA ILE 7 3.148 -4.469 -9.896
61 HB ILE 7 HB ILE 7 1.547 -3.436 -7.589
62 HG12 ILE 7 2HG1 ILE 7 4.029 -3.636 -7.483
63 HG13 ILE 7 3HG1 ILE 7 3.202 -4.627 -6.286
64 HG21 ILE 7 1HG2 ILE 7 0.139 -5.192 -8.006
65 HG22 ILE 7 2HG2 ILE 7 1.391 -6.152 -8.794
66 HG23 ILE 7 3HG2 ILE 7 1.369 -6.003 -7.037
67 HD11 ILE 7 3HD1 ILE 7 3.499 -6.581 -7.765
68 HD12 ILE 7 1HD1 ILE 7 4.428 -5.565 -8.867
69 HD13 ILE 7 2HD1 ILE 7 5.021 -5.866 -7.233
70 H THR 8 H THR 8 0.283 -2.444 -9.993
71 HA THR 8 HA THR 8 -1.725 -4.170 -10.618
72 HB THR 8 HB THR 8 -2.838 -2.418 -11.782
73 HG1 THR 8 HG1 THR 8 -0.215 -1.512 -12.311
74 HG21 THR 8 3HG2 THR 8 -2.670 -0.600 -10.264
75 HG22 THR 8 1HG2 THR 8 -0.991 -0.981 -9.883
76 HG23 THR 8 2HG2 THR 8 -2.283 -2.051 -9.340
77 H THR 9 H THR 9 0.966 -3.242 -12.650
78 HA THR 9 HA THR 9 0.058 -4.054 -15.144
79 HB THR 9 HB THR 9 2.435 -4.437 -15.731
80 HG1 THR 9 HG1 THR 9 3.989 -4.395 -14.175
81 HG21 THR 9 3HG2 THR 9 3.180 -2.173 -15.396
82 HG22 THR 9 1HG2 THR 9 2.071 -1.961 -14.042
83 HG23 THR 9 2HG2 THR 9 1.440 -2.152 -15.678
84 H ILE 10 H ILE 10 2.157 -5.993 -13.003
85 HA ILE 10 HA ILE 10 1.508 -8.408 -14.425
86 HB ILE 10 HB ILE 10 3.067 -9.511 -13.056
87 HG12 ILE 10 2HG1 ILE 10 1.998 -8.456 -10.930
88 HG13 ILE 10 3HG1 ILE 10 3.695 -8.921 -10.891
89 HG21 ILE 10 1HG2 ILE 10 5.009 -7.869 -12.933
90 HG22 ILE 10 2HG2 ILE 10 4.252 -8.099 -14.508
91 HG23 ILE 10 3HG2 ILE 10 3.880 -6.664 -13.553
92 HD11 ILE 10 3HD1 ILE 10 2.734 -6.526 -10.094
93 HD12 ILE 10 1HD1 ILE 10 4.390 -6.811 -10.630
94 HD13 ILE 10 2HD1 ILE 10 3.196 -6.168 -11.758
95 H HIS 11 H HIS 11 0.326 -6.747 -11.640
96 HA HIS 11 HA HIS 11 -0.759 -8.794 -10.122
97 HB2 HIS 11 2HB HIS 11 -0.733 -6.420 -9.438
98 HB3 HIS 11 3HB HIS 11 -1.974 -6.071 -10.637
99 HD1 HIS 11 HD1 HIS 11 -1.982 -9.030 -8.282
100 HD2 HIS 11 HD2 HIS 11 -4.047 -5.486 -8.946
101 HE1 HIS 11 HE1 HIS 11 -3.964 -9.107 -6.736
102 H ASN 12 H ASN 12 -1.658 -7.703 -13.248
103 HA ASN 12 HA ASN 12 -4.365 -8.622 -13.200
104 HB2 ASN 12 2HB ASN 12 -2.504 -7.505 -15.206
105 HB3 ASN 12 3HB ASN 12 -3.747 -8.577 -15.844
106 HD21 ASN 12 1HD2 ASN 12 -3.733 -6.199 -13.214
107 HD22 ASN 12 2HD2 ASN 12 -5.061 -5.272 -13.816
108 H LEU 13 H LEU 13 -1.321 -10.137 -13.554
109 HA LEU 13 HA LEU 13 -2.630 -12.594 -14.522
110 HB2 LEU 13 2HB LEU 13 -1.109 -12.037 -16.190
111 HB3 LEU 13 3HB LEU 13 0.091 -11.460 -15.035
112 HG LEU 13 HG LEU 13 0.479 -13.822 -14.351
113 HD11 LEU 13 1HD1 LEU 13 -0.786 -14.833 -16.811
114 HD12 LEU 13 2HD1 LEU 13 -1.884 -14.377 -15.510
115 HD13 LEU 13 3HD1 LEU 13 -0.627 -15.580 -15.222
116 HD21 LEU 13 3HD2 LEU 13 2.087 -14.043 -15.914
117 HD22 LEU 13 1HD2 LEU 13 1.547 -12.438 -16.405
118 HD23 LEU 13 2HD2 LEU 13 0.957 -13.865 -17.257
119 H PHE 14 H PHE 14 -0.787 -11.101 -12.042
120 HA PHE 14 HA PHE 14 0.247 -13.506 -10.877
121 HB2 PHE 14 2HB PHE 14 0.364 -10.642 -10.334
122 HB3 PHE 14 3HB PHE 14 0.211 -11.598 -8.864
123 HD1 PHE 14 HD1 PHE 14 1.920 -13.290 -8.307
124 HD2 PHE 14 HD2 PHE 14 2.367 -10.634 -11.602
125 HE1 PHE 14 HE1 PHE 14 4.326 -13.797 -8.384
126 HE2 PHE 14 HE2 PHE 14 4.774 -11.137 -11.686
127 HZ PHE 14 HZ PHE 14 5.757 -12.721 -10.076
128 H ARG 15 H ARG 15 -2.675 -11.632 -10.579
129 HA ARG 15 HA ARG 15 -3.597 -12.593 -8.111
130 HB2 ARG 15 2HB ARG 15 -5.802 -11.862 -8.834
131 HB3 ARG 15 3HB ARG 15 -4.591 -10.670 -9.285
132 HG2 ARG 15 2HG ARG 15 -5.739 -10.738 -11.231
133 HG3 ARG 15 3HG ARG 15 -4.624 -12.070 -11.545
134 HD2 ARG 15 2HD ARG 15 -6.484 -13.244 -11.985
135 HD3 ARG 15 3HD ARG 15 -6.635 -13.345 -10.231
136 HE ARG 15 HE ARG 15 -7.856 -10.980 -11.161
137 HH11 ARG 15 1HH1 ARG 15 -8.304 -14.432 -11.124
138 HH12 ARG 15 2HH1 ARG 15 -10.032 -14.339 -11.204
139 HH21 ARG 15 1HH2 ARG 15 -10.130 -10.845 -11.266
140 HH22 ARG 15 2HH2 ARG 15 -11.070 -12.298 -11.285
141 H LYS 16 H LYS 16 -3.519 -14.033 -11.267
142 HA LYS 16 HA LYS 16 -5.499 -16.012 -10.885
143 HB2 LYS 16 2HB LYS 16 -4.521 -15.343 -13.089
144 HB3 LYS 16 3HB LYS 16 -3.044 -16.185 -12.640
145 HG2 LYS 16 2HG LYS 16 -4.828 -18.153 -12.245
146 HG3 LYS 16 3HG LYS 16 -5.643 -17.252 -13.525
147 HD2 LYS 16 2HD LYS 16 -2.871 -17.485 -14.171
148 HD3 LYS 16 3HD LYS 16 -3.501 -19.083 -13.762
149 HE2 LYS 16 2HE LYS 16 -5.141 -17.369 -15.545
150 HE3 LYS 16 3HE LYS 16 -3.667 -18.066 -16.215
151 HZ1 LYS 16 3HZ LYS 16 -4.815 -19.918 -16.535
152 HZ2 LYS 16 1HZ LYS 16 -6.156 -19.318 -15.696
153 HZ3 LYS 16 2HZ LYS 16 -4.921 -20.112 -14.858
154 H LEU 17 H LEU 17 -2.208 -15.736 -9.838
155 HA LEU 17 HA LEU 17 -1.967 -18.548 -9.182
156 HB2 LEU 17 2HB LEU 17 -0.137 -16.258 -8.484
157 HB3 LEU 17 3HB LEU 17 0.235 -17.977 -8.359
158 HG LEU 17 HG LEU 17 -0.440 -16.764 -11.013
159 HD11 LEU 17 1HD1 LEU 17 2.354 -16.886 -9.914
160 HD12 LEU 17 2HD1 LEU 17 1.368 -15.426 -9.853
161 HD13 LEU 17 3HD1 LEU 17 1.795 -16.136 -11.409
162 HD21 LEU 17 3HD2 LEU 17 1.597 -18.674 -11.169
163 HD22 LEU 17 1HD2 LEU 17 -0.095 -18.870 -11.627
164 HD23 LEU 17 2HD2 LEU 17 0.436 -19.312 -10.004
165 H THR 18 H THR 18 -2.639 -15.513 -7.571
166 HA THR 18 HA THR 18 -2.319 -16.382 -4.910
167 HB THR 18 HB THR 18 -3.651 -14.447 -4.265
168 HG1 THR 18 HG1 THR 18 -5.273 -14.127 -5.623
169 HG21 THR 18 3HG2 THR 18 -2.375 -12.679 -5.457
170 HG22 THR 18 1HG2 THR 18 -1.792 -13.905 -6.582
171 HG23 THR 18 2HG2 THR 18 -1.359 -13.998 -4.875
172 H HIS 19 H HIS 19 -4.990 -16.611 -7.172
173 HA HIS 19 HA HIS 19 -7.075 -17.226 -5.447
174 HB2 HIS 19 2HB HIS 19 -6.934 -16.962 -8.089
175 HB3 HIS 19 3HB HIS 19 -6.880 -18.721 -8.019
176 HD1 HIS 19 HD1 HIS 19 -9.027 -16.106 -6.257
177 HD2 HIS 19 HD2 HIS 19 -9.376 -19.662 -8.376
178 HE1 HIS 19 HE1 HIS 19 -11.488 -16.620 -6.306
179 H ARG 20 H ARG 20 -4.519 -19.285 -6.722
180 HA ARG 20 HA ARG 20 -5.587 -21.546 -5.180
181 HB2 ARG 20 2HB ARG 20 -4.091 -22.950 -6.530
182 HB3 ARG 20 3HB ARG 20 -5.182 -22.011 -7.541
183 HG2 ARG 20 2HG ARG 20 -3.286 -21.622 -8.693
184 HG3 ARG 20 3HG ARG 20 -3.098 -20.339 -7.496
185 HD2 ARG 20 2HD ARG 20 -1.036 -21.358 -7.400
186 HD3 ARG 20 3HD ARG 20 -1.899 -22.197 -6.112
187 HE ARG 20 HE ARG 20 -2.156 -23.553 -8.600
188 HH11 ARG 20 1HH1 ARG 20 0.024 -22.997 -5.944
189 HH12 ARG 20 2HH1 ARG 20 0.872 -24.493 -6.156
190 HH21 ARG 20 1HH2 ARG 20 -1.048 -25.526 -8.889
191 HH22 ARG 20 2HH2 ARG 20 0.262 -25.931 -7.832
192 H LEU 21 H LEU 21 -3.375 -19.091 -4.925
193 HA LEU 21 HA LEU 21 -1.535 -20.676 -3.267
194 HB2 LEU 21 2HB LEU 21 -1.250 -18.016 -4.634
195 HB3 LEU 21 3HB LEU 21 -0.124 -18.560 -3.391
196 HG LEU 21 HG LEU 21 -0.641 -19.993 -5.996
197 HD11 LEU 21 1HD1 LEU 21 0.493 -17.703 -6.095
198 HD12 LEU 21 2HD1 LEU 21 1.326 -19.064 -6.846
199 HD13 LEU 21 3HD1 LEU 21 1.842 -18.478 -5.265
200 HD21 LEU 21 3HD2 LEU 21 1.169 -20.490 -3.661
201 HD22 LEU 21 1HD2 LEU 21 1.590 -21.063 -5.275
202 HD23 LEU 21 2HD2 LEU 21 0.102 -21.614 -4.504
203 H PHE 22 H PHE 22 -2.449 -17.244 -3.177
204 HA PHE 22 HA PHE 22 -2.244 -16.916 -0.445
205 HB2 PHE 22 2HB PHE 22 -3.804 -15.490 -2.567
206 HB3 PHE 22 3HB PHE 22 -4.043 -15.052 -0.879
207 HD1 PHE 22 HD2 PHE 22 -1.061 -15.892 -2.964
208 HD2 PHE 22 HD1 PHE 22 -2.944 -13.120 -0.340
209 HE1 PHE 22 HE2 PHE 22 0.931 -14.452 -3.062
210 HE2 PHE 22 HE1 PHE 22 -0.955 -11.675 -0.434
211 HZ PHE 22 HZ PHE 22 0.986 -12.340 -1.795
212 H ARG 23 H ARG 23 -4.893 -18.218 -2.319
213 HA ARG 23 HA ARG 23 -6.429 -18.599 0.166
214 HB2 ARG 23 2HB ARG 23 -7.551 -18.731 -2.629
215 HB3 ARG 23 3HB ARG 23 -8.433 -18.598 -1.114
216 HG2 ARG 23 2HG ARG 23 -6.625 -16.467 -2.232
217 HG3 ARG 23 3HG ARG 23 -8.380 -16.501 -2.415
218 HD2 ARG 23 2HD ARG 23 -8.363 -16.694 0.186
219 HD3 ARG 23 3HD ARG 23 -6.733 -16.038 0.035
220 HE ARG 23 HE ARG 23 -8.509 -14.451 -1.456
221 HH11 ARG 23 1HH1 ARG 23 -7.722 -15.229 1.845
222 HH12 ARG 23 2HH1 ARG 23 -8.242 -13.697 2.467
223 HH21 ARG 23 1HH2 ARG 23 -9.197 -12.431 -0.650
224 HH22 ARG 23 2HH2 ARG 23 -9.082 -12.107 1.047
225 H ARG 24 H ARG 24 -4.239 -20.275 -0.906
226 HA ARG 24 HA ARG 24 -5.083 -22.584 -2.166
227 HB2 ARG 24 2HB ARG 24 -3.179 -23.704 -1.030
228 HB3 ARG 24 3HB ARG 24 -2.741 -22.167 -1.764
229 HG2 ARG 24 2HG ARG 24 -1.688 -21.976 0.247
230 HG3 ARG 24 3HG ARG 24 -3.244 -21.243 0.641
231 HD2 ARG 24 2HD ARG 24 -3.638 -23.948 1.090
232 HD3 ARG 24 3HD ARG 24 -2.004 -23.651 1.682
233 HE ARG 24 HE ARG 24 -3.467 -21.627 2.756
234 HH11 ARG 24 1HH1 ARG 24 -3.749 -25.097 2.752
235 HH12 ARG 24 2HH1 ARG 24 -4.517 -25.167 4.304
236 HH21 ARG 24 1HH2 ARG 24 -4.478 -21.705 4.799
237 HH22 ARG 24 2HH2 ARG 24 -4.932 -23.237 5.467
Start of MODEL 3
1 H1 TRP 1 H TRP 1 0.476 0.689 -0.038
2 HA TRP 1 HA TRP 1 2.921 -0.029 -1.120
3 HB2 TRP 1 2HB TRP 1 1.232 -2.147 -1.464
4 HB3 TRP 1 3HB TRP 1 0.991 -1.266 -2.970
5 HD1 TRP 1 HD1 TRP 1 2.458 -2.296 -4.784
6 HE1 TRP 1 HE1 TRP 1 4.857 -3.218 -4.925
7 HE3 TRP 1 HE3 TRP 1 3.829 -1.746 0.110
8 HZ2 TRP 1 HZ2 TRP 1 7.041 -3.656 -3.191
9 HZ3 TRP 1 HZ3 TRP 1 6.090 -2.442 0.787
10 HH2 TRP 1 HH2 TRP 1 7.661 -3.377 -0.831
11 H TRP 2 H TRP 2 3.296 1.928 -1.936
12 HA TRP 2 HA TRP 2 1.183 3.356 -3.348
13 HB2 TRP 2 2HB TRP 2 2.152 5.148 -2.430
14 HB3 TRP 2 3HB TRP 2 3.408 4.121 -1.743
15 HD1 TRP 2 HD1 TRP 2 2.821 6.713 -4.403
16 HE1 TRP 2 HE1 TRP 2 5.027 7.196 -5.638
17 HE3 TRP 2 HE3 TRP 2 5.649 2.884 -2.540
18 HZ2 TRP 2 HZ2 TRP 2 7.622 6.099 -5.801
19 HZ3 TRP 2 HZ3 TRP 2 7.984 2.670 -3.286
20 HH2 TRP 2 HH2 TRP 2 8.948 4.245 -4.883
21 H TRP 3 H TRP 3 4.075 1.578 -3.982
22 HA TRP 3 HA TRP 3 4.367 2.624 -6.674
23 HB2 TRP 3 2HB TRP 3 6.150 1.555 -4.883
24 HB3 TRP 3 3HB TRP 3 5.879 0.203 -5.979
25 HD1 TRP 3 HD1 TRP 3 6.059 3.924 -7.009
26 HE1 TRP 3 HE1 TRP 3 8.001 4.198 -8.676
27 HE3 TRP 3 HE3 TRP 3 7.948 -0.823 -6.841
28 HZ2 TRP 3 HZ2 TRP 3 10.060 2.612 -9.775
29 HZ3 TRP 3 HZ3 TRP 3 9.905 -1.363 -8.232
30 HH2 TRP 3 HH2 TRP 3 10.938 0.320 -9.668
31 H LYS 4 H LYS 4 1.964 1.050 -5.707
32 HA LYS 4 HA LYS 4 1.895 -1.495 -6.838
33 HB2 LYS 4 2HB LYS 4 0.145 -0.124 -5.396
34 HB3 LYS 4 3HB LYS 4 -0.536 0.232 -6.979
35 HG2 LYS 4 2HG LYS 4 -0.946 -2.054 -7.420
36 HG3 LYS 4 3HG LYS 4 0.025 -2.566 -6.038
37 HD2 LYS 4 2HD LYS 4 -2.262 -0.765 -5.485
38 HD3 LYS 4 3HD LYS 4 -2.642 -2.422 -5.960
39 HE2 LYS 4 2HE LYS 4 -0.798 -2.992 -4.163
40 HE3 LYS 4 3HE LYS 4 -1.242 -1.406 -3.535
41 HZ1 LYS 4 3HZ LYS 4 -3.490 -3.096 -4.172
42 HZ2 LYS 4 1HZ LYS 4 -3.191 -2.165 -2.791
43 HZ3 LYS 4 2HZ LYS 4 -2.506 -3.704 -2.938
44 H TYR 5 H TYR 5 1.979 1.579 -8.345
45 HA TYR 5 HA TYR 5 0.643 1.096 -10.745
46 HB2 TYR 5 2HB TYR 5 3.150 2.756 -10.468
47 HB3 TYR 5 3HB TYR 5 1.857 2.954 -11.646
48 HD1 TYR 5 HD2 TYR 5 -0.562 2.892 -10.077
49 HD2 TYR 5 HD1 TYR 5 3.200 4.636 -9.123
50 HE1 TYR 5 HE2 TYR 5 -1.687 4.486 -8.579
51 HE2 TYR 5 HE1 TYR 5 2.086 6.233 -7.621
52 HH TYR 5 HH TYR 5 -0.608 5.947 -6.305
53 H GLU 6 H GLU 6 3.726 -0.013 -9.609
54 HA GLU 6 HA GLU 6 4.501 -0.950 -12.264
55 HB2 GLU 6 2HB GLU 6 6.078 -1.434 -9.757
56 HB3 GLU 6 3HB GLU 6 6.652 -1.296 -11.413
57 HG2 GLU 6 2HG GLU 6 5.558 0.966 -9.756
58 HG3 GLU 6 3HG GLU 6 7.265 0.638 -10.044
59 H ILE 7 H ILE 7 2.657 -2.031 -9.744
60 HA ILE 7 HA ILE 7 3.399 -4.847 -10.114
61 HB ILE 7 HB ILE 7 1.849 -3.411 -7.984
62 HG12 ILE 7 2HG1 ILE 7 4.312 -3.674 -7.784
63 HG13 ILE 7 3HG1 ILE 7 3.433 -4.499 -6.501
64 HG21 ILE 7 1HG2 ILE 7 0.389 -5.184 -8.312
65 HG22 ILE 7 2HG2 ILE 7 1.685 -6.301 -8.740
66 HG23 ILE 7 3HG2 ILE 7 1.475 -5.796 -7.064
67 HD11 ILE 7 3HD1 ILE 7 5.351 -5.552 -8.284
68 HD12 ILE 7 1HD1 ILE 7 4.466 -6.383 -7.005
69 HD13 ILE 7 2HD1 ILE 7 3.807 -6.325 -8.640
70 H THR 8 H THR 8 0.707 -2.595 -10.405
71 HA THR 8 HA THR 8 -1.398 -4.280 -10.922
72 HB THR 8 HB THR 8 -1.544 -1.790 -10.806
73 HG1 THR 8 HG1 THR 8 -3.131 -1.711 -12.619
74 HG21 THR 8 3HG2 THR 8 -0.824 -1.789 -13.726
75 HG22 THR 8 1HG2 THR 8 0.378 -1.491 -12.471
76 HG23 THR 8 2HG2 THR 8 -1.009 -0.414 -12.637
77 H THR 9 H THR 9 1.366 -3.632 -12.906
78 HA THR 9 HA THR 9 0.415 -4.336 -15.428
79 HB THR 9 HB THR 9 2.572 -3.411 -15.383
80 HG1 THR 9 HG1 THR 9 3.089 -4.777 -16.907
81 HG21 THR 9 3HG2 THR 9 4.133 -5.412 -14.039
82 HG22 THR 9 1HG2 THR 9 2.850 -4.839 -12.975
83 HG23 THR 9 2HG2 THR 9 3.986 -3.691 -13.683
84 H ILE 10 H ILE 10 1.930 -6.407 -12.958
85 HA ILE 10 HA ILE 10 1.124 -8.777 -14.472
86 HB ILE 10 HB ILE 10 2.618 -10.038 -13.169
87 HG12 ILE 10 2HG1 ILE 10 1.794 -8.857 -11.006
88 HG13 ILE 10 3HG1 ILE 10 3.434 -9.496 -11.051
89 HG21 ILE 10 1HG2 ILE 10 4.734 -8.586 -13.146
90 HG22 ILE 10 2HG2 ILE 10 3.909 -8.825 -14.685
91 HG23 ILE 10 3HG2 ILE 10 3.700 -7.315 -13.798
92 HD11 ILE 10 3HD1 ILE 10 4.340 -7.479 -10.798
93 HD12 ILE 10 1HD1 ILE 10 3.237 -6.733 -11.955
94 HD13 ILE 10 2HD1 ILE 10 2.730 -6.978 -10.283
95 H HIS 11 H HIS 11 0.258 -6.939 -11.694
96 HA HIS 11 HA HIS 11 -0.961 -8.834 -10.072
97 HB2 HIS 11 2HB HIS 11 -0.622 -6.460 -9.450
98 HB3 HIS 11 3HB HIS 11 -1.899 -6.001 -10.574
99 HD1 HIS 11 HD1 HIS 11 -2.405 -9.050 -8.508
100 HD2 HIS 11 HD2 HIS 11 -3.429 -5.025 -8.408
101 HE1 HIS 11 HE1 HIS 11 -4.187 -8.853 -6.744
102 H ASN 12 H ASN 12 -1.875 -7.715 -13.176
103 HA ASN 12 HA ASN 12 -4.668 -8.326 -12.967
104 HB2 ASN 12 2HB ASN 12 -2.809 -7.516 -15.154
105 HB3 ASN 12 3HB ASN 12 -4.328 -8.284 -15.605
106 HD21 ASN 12 1HD2 ASN 12 -3.271 -5.874 -13.219
107 HD22 ASN 12 2HD2 ASN 12 -4.503 -4.720 -13.591
108 H LEU 13 H LEU 13 -1.833 -10.154 -13.431
109 HA LEU 13 HA LEU 13 -3.434 -12.458 -14.331
110 HB2 LEU 13 2HB LEU 13 -1.649 -13.272 -15.585
111 HB3 LEU 13 3HB LEU 13 -1.662 -11.541 -15.917
112 HG LEU 13 HG LEU 13 0.095 -11.817 -13.782
113 HD11 LEU 13 1HD1 LEU 13 0.514 -14.038 -15.776
114 HD12 LEU 13 2HD1 LEU 13 0.165 -14.217 -14.057
115 HD13 LEU 13 3HD1 LEU 13 1.695 -13.511 -14.577
116 HD21 LEU 13 3HD2 LEU 13 1.765 -11.146 -15.381
117 HD22 LEU 13 1HD2 LEU 13 0.252 -10.316 -15.745
118 HD23 LEU 13 2HD2 LEU 13 0.758 -11.694 -16.722
119 H PHE 14 H PHE 14 -1.364 -11.150 -11.947
120 HA PHE 14 HA PHE 14 -0.467 -13.640 -10.843
121 HB2 PHE 14 2HB PHE 14 -0.047 -10.814 -10.339
122 HB3 PHE 14 3HB PHE 14 -0.282 -11.704 -8.838
123 HD1 PHE 14 HD2 PHE 14 1.245 -13.544 -8.240
124 HD2 PHE 14 HD1 PHE 14 1.922 -11.073 -11.639
125 HE1 PHE 14 HE2 PHE 14 3.580 -14.313 -8.330
126 HE2 PHE 14 HE1 PHE 14 4.258 -11.839 -11.735
127 HZ PHE 14 HZ PHE 14 5.090 -13.460 -10.078
128 H ARG 15 H ARG 15 -3.250 -11.609 -10.480
129 HA ARG 15 HA ARG 15 -4.150 -12.330 -7.952
130 HB2 ARG 15 2HB ARG 15 -6.356 -11.667 -8.694
131 HB3 ARG 15 3HB ARG 15 -5.162 -10.563 -9.362
132 HG2 ARG 15 2HG ARG 15 -6.220 -10.892 -11.295
133 HG3 ARG 15 3HG ARG 15 -5.361 -12.433 -11.336
134 HD2 ARG 15 2HD ARG 15 -7.380 -13.378 -11.469
135 HD3 ARG 15 3HD ARG 15 -7.540 -12.986 -9.757
136 HE ARG 15 HE ARG 15 -8.329 -10.811 -11.417
137 HH11 ARG 15 1HH1 ARG 15 -9.378 -13.876 -10.143
138 HH12 ARG 15 2HH1 ARG 15 -11.063 -13.484 -10.232
139 HH21 ARG 15 1HH2 ARG 15 -10.545 -10.283 -11.539
140 HH22 ARG 15 2HH2 ARG 15 -11.726 -11.440 -11.027
141 H LYS 16 H LYS 16 -4.136 -14.125 -10.925
142 HA LYS 16 HA LYS 16 -6.087 -16.061 -10.231
143 HB2 LYS 16 2HB LYS 16 -3.745 -16.326 -12.126
144 HB3 LYS 16 3HB LYS 16 -5.153 -17.378 -12.072
145 HG2 LYS 16 2HG LYS 16 -6.458 -15.916 -13.183
146 HG3 LYS 16 3HG LYS 16 -5.708 -14.506 -12.430
147 HD2 LYS 16 2HD LYS 16 -4.737 -14.188 -14.425
148 HD3 LYS 16 3HD LYS 16 -3.665 -15.510 -13.954
149 HE2 LYS 16 2HE LYS 16 -4.979 -17.101 -15.137
150 HE3 LYS 16 3HE LYS 16 -6.276 -15.935 -15.393
151 HZ1 LYS 16 3HZ LYS 16 -5.272 -15.137 -17.195
152 HZ2 LYS 16 1HZ LYS 16 -4.262 -16.493 -17.136
153 HZ3 LYS 16 2HZ LYS 16 -3.765 -15.037 -16.434
154 H LEU 17 H LEU 17 -2.749 -15.640 -9.413
155 HA LEU 17 HA LEU 17 -2.473 -18.370 -8.442
156 HB2 LEU 17 2HB LEU 17 -0.593 -17.303 -9.587
157 HB3 LEU 17 3HB LEU 17 -0.559 -16.041 -8.357
158 HG LEU 17 HG LEU 17 -0.273 -18.317 -6.860
159 HD11 LEU 17 1HD1 LEU 17 1.405 -18.704 -9.329
160 HD12 LEU 17 2HD1 LEU 17 -0.068 -19.611 -8.990
161 HD13 LEU 17 3HD1 LEU 17 1.318 -19.745 -7.908
162 HD21 LEU 17 3HD2 LEU 17 2.183 -17.065 -7.958
163 HD22 LEU 17 1HD2 LEU 17 1.731 -17.405 -6.287
164 HD23 LEU 17 2HD2 LEU 17 1.031 -16.020 -7.126
165 H THR 18 H THR 18 -2.914 -15.117 -7.222
166 HA THR 18 HA THR 18 -2.288 -15.481 -4.539
167 HB THR 18 HB THR 18 -3.737 -13.592 -4.050
168 HG1 THR 18 HG1 THR 18 -5.400 -13.106 -5.286
169 HG21 THR 18 3HG2 THR 18 -2.929 -12.018 -5.911
170 HG22 THR 18 1HG2 THR 18 -2.143 -13.441 -6.594
171 HG23 THR 18 2HG2 THR 18 -1.704 -12.880 -4.980
172 H HIS 19 H HIS 19 -5.231 -16.276 -6.303
173 HA HIS 19 HA HIS 19 -6.858 -16.874 -4.085
174 HB2 HIS 19 2HB HIS 19 -7.517 -16.586 -6.562
175 HB3 HIS 19 3HB HIS 19 -7.080 -18.284 -6.736
176 HD1 HIS 19 HD1 HIS 19 -8.934 -19.872 -6.356
177 HD2 HIS 19 HD2 HIS 19 -9.582 -16.252 -4.423
178 HE1 HIS 19 HE1 HIS 19 -11.222 -20.058 -5.328
179 H ARG 20 H ARG 20 -4.215 -18.542 -5.481
180 HA ARG 20 HA ARG 20 -4.943 -21.020 -4.072
181 HB2 ARG 20 2HB ARG 20 -2.974 -20.522 -6.309
182 HB3 ARG 20 3HB ARG 20 -3.140 -22.059 -5.473
183 HG2 ARG 20 2HG ARG 20 -4.892 -22.639 -6.706
184 HG3 ARG 20 3HG ARG 20 -5.689 -21.089 -6.430
185 HD2 ARG 20 2HD ARG 20 -4.945 -20.212 -8.372
186 HD3 ARG 20 3HD ARG 20 -3.384 -21.023 -8.259
187 HE ARG 20 HE ARG 20 -4.230 -22.766 -9.491
188 HH11 ARG 20 1HH1 ARG 20 -6.835 -20.712 -8.435
189 HH12 ARG 20 2HH1 ARG 20 -8.025 -21.491 -9.425
190 HH21 ARG 20 1HH2 ARG 20 -5.787 -23.801 -10.798
191 HH22 ARG 20 2HH2 ARG 20 -7.428 -23.249 -10.768
192 H LEU 21 H LEU 21 -2.891 -18.317 -3.965
193 HA LEU 21 HA LEU 21 -0.834 -19.645 -2.390
194 HB2 LEU 21 2HB LEU 21 0.202 -18.102 -3.712
195 HB3 LEU 21 3HB LEU 21 -1.162 -16.987 -3.668
196 HG LEU 21 HG LEU 21 -0.515 -16.311 -1.394
197 HD11 LEU 21 1HD1 LEU 21 1.013 -18.671 -1.475
198 HD12 LEU 21 2HD1 LEU 21 0.885 -17.503 -0.159
199 HD13 LEU 21 3HD1 LEU 21 2.155 -17.331 -1.370
200 HD21 LEU 21 3HD2 LEU 21 1.546 -15.109 -2.020
201 HD22 LEU 21 1HD2 LEU 21 0.301 -15.017 -3.266
202 HD23 LEU 21 2HD2 LEU 21 1.669 -16.113 -3.465
203 H PHE 22 H PHE 22 -3.520 -17.424 -1.987
204 HA PHE 22 HA PHE 22 -2.911 -16.874 0.776
205 HB2 PHE 22 2HB PHE 22 -5.076 -16.102 -1.132
206 HB3 PHE 22 3HB PHE 22 -5.388 -15.953 0.595
207 HD1 PHE 22 HD2 PHE 22 -4.075 -14.403 1.964
208 HD2 PHE 22 HD1 PHE 22 -3.568 -14.634 -2.255
209 HE1 PHE 22 HE2 PHE 22 -2.900 -12.242 1.991
210 HE2 PHE 22 HE1 PHE 22 -2.392 -12.473 -2.236
211 HZ PHE 22 HZ PHE 22 -2.058 -11.273 -0.111
212 H ARG 23 H ARG 23 -4.799 -19.170 -1.009
213 HA ARG 23 HA ARG 23 -6.306 -20.029 1.316
214 HB2 ARG 23 2HB ARG 23 -6.340 -20.597 -1.587
215 HB3 ARG 23 3HB ARG 23 -6.815 -21.929 -0.541
216 HG2 ARG 23 2HG ARG 23 -8.743 -20.936 0.080
217 HG3 ARG 23 3HG ARG 23 -8.048 -19.315 0.042
218 HD2 ARG 23 2HD ARG 23 -8.591 -18.990 -2.127
219 HD3 ARG 23 3HD ARG 23 -8.283 -20.670 -2.564
220 HE ARG 23 HE ARG 23 -10.795 -19.516 -1.901
221 HH11 ARG 23 1HH1 ARG 23 -8.926 -22.442 -1.639
222 HH12 ARG 23 2HH1 ARG 23 -10.314 -23.476 -1.562
223 HH21 ARG 23 1HH2 ARG 23 -12.630 -20.867 -1.801
224 HH22 ARG 23 2HH2 ARG 23 -12.420 -22.579 -1.655
225 H ARG 24 H ARG 24 -3.527 -21.041 -0.558
226 HA ARG 24 HA ARG 24 -3.298 -23.641 0.571
227 HB2 ARG 24 2HB ARG 24 -2.217 -23.240 -1.516
228 HB3 ARG 24 3HB ARG 24 -1.342 -21.857 -0.873
229 HG2 ARG 24 2HG ARG 24 -0.770 -24.263 0.623
230 HG3 ARG 24 3HG ARG 24 -0.416 -24.456 -1.095
231 HD2 ARG 24 2HD ARG 24 0.479 -21.895 -0.053
232 HD3 ARG 24 3HD ARG 24 1.209 -23.258 0.794
233 HE ARG 24 HE ARG 24 1.294 -23.521 -2.061
234 HH11 ARG 24 1HH1 ARG 24 2.877 -22.154 0.722
235 HH12 ARG 24 2HH1 ARG 24 4.432 -22.079 -0.037
236 HH21 ARG 24 1HH2 ARG 24 3.337 -23.427 -3.071
237 HH22 ARG 24 2HH2 ARG 24 4.693 -22.803 -2.195
Start of MODEL 4
1 H1 TRP 1 H TRP 1 -0.009 -1.180 0.561
2 HA TRP 1 HA TRP 1 1.932 -1.437 -0.748
3 HB2 TRP 1 2HB TRP 1 0.481 -3.372 -1.926
4 HB3 TRP 1 3HB TRP 1 0.439 -2.164 -3.207
5 HD1 TRP 1 HD1 TRP 1 2.200 -2.821 -4.938
6 HE1 TRP 1 HE1 TRP 1 4.651 -3.603 -4.874
7 HE3 TRP 1 HE3 TRP 1 2.811 -3.163 0.127
8 HZ2 TRP 1 HZ2 TRP 1 6.587 -4.276 -2.934
9 HZ3 TRP 1 HZ3 TRP 1 4.993 -3.884 1.005
10 HH2 TRP 1 HH2 TRP 1 6.841 -4.429 -0.495
11 H TRP 2 H TRP 2 2.508 0.620 -1.000
12 HA TRP 2 HA TRP 2 0.808 2.580 -2.193
13 HB2 TRP 2 2HB TRP 2 2.196 4.037 -1.197
14 HB3 TRP 2 3HB TRP 2 3.004 2.635 -0.502
15 HD1 TRP 2 HD1 TRP 2 5.448 2.160 -1.263
16 HE1 TRP 2 HE1 TRP 2 7.087 3.326 -2.869
17 HE3 TRP 2 HE3 TRP 2 2.208 5.417 -3.505
18 HZ2 TRP 2 HZ2 TRP 2 7.016 5.358 -4.826
19 HZ3 TRP 2 HZ3 TRP 2 3.074 6.939 -5.234
20 HH2 TRP 2 HH2 TRP 2 5.428 6.909 -5.879
21 H TRP 3 H TRP 3 3.533 0.658 -3.279
22 HA TRP 3 HA TRP 3 3.645 2.069 -5.824
23 HB2 TRP 3 2HB TRP 3 5.562 0.800 -4.303
24 HB3 TRP 3 3HB TRP 3 5.245 -0.373 -5.578
25 HD1 TRP 3 HD1 TRP 3 5.233 3.449 -6.095
26 HE1 TRP 3 HE1 TRP 3 7.081 4.037 -7.787
27 HE3 TRP 3 HE3 TRP 3 7.356 -1.172 -6.617
28 HZ2 TRP 3 HZ2 TRP 3 9.163 2.717 -9.161
29 HZ3 TRP 3 HZ3 TRP 3 9.271 -1.425 -8.140
30 HH2 TRP 3 HH2 TRP 3 10.154 0.481 -9.386
31 H LYS 4 H LYS 4 1.255 0.555 -5.082
32 HA LYS 4 HA LYS 4 1.161 -1.914 -6.453
33 HB2 LYS 4 2HB LYS 4 -0.483 -1.189 -4.734
34 HB3 LYS 4 3HB LYS 4 -1.118 -0.013 -5.876
35 HG2 LYS 4 2HG LYS 4 -1.923 -1.715 -7.317
36 HG3 LYS 4 3HG LYS 4 -1.054 -2.967 -6.426
37 HD2 LYS 4 2HD LYS 4 -2.542 -1.922 -4.439
38 HD3 LYS 4 3HD LYS 4 -3.610 -1.623 -5.812
39 HE2 LYS 4 2HE LYS 4 -4.306 -3.722 -5.285
40 HE3 LYS 4 3HE LYS 4 -2.970 -4.145 -6.356
41 HZ1 LYS 4 3HZ LYS 4 -3.171 -4.387 -3.449
42 HZ2 LYS 4 1HZ LYS 4 -1.650 -4.036 -4.101
43 HZ3 LYS 4 2HZ LYS 4 -2.470 -5.437 -4.574
44 H TYR 5 H TYR 5 1.363 1.251 -7.596
45 HA TYR 5 HA TYR 5 -0.199 1.077 -9.947
46 HB2 TYR 5 2HB TYR 5 2.276 2.768 -9.582
47 HB3 TYR 5 3HB TYR 5 0.914 3.075 -10.653
48 HD1 TYR 5 HD2 TYR 5 -1.397 2.682 -8.932
49 HD2 TYR 5 HD1 TYR 5 2.344 4.508 -8.052
50 HE1 TYR 5 HE2 TYR 5 -2.474 4.030 -7.180
51 HE2 TYR 5 HE1 TYR 5 1.277 5.860 -6.296
52 HH TYR 5 HH TYR 5 -0.752 5.718 -4.841
53 H GLU 6 H GLU 6 3.060 0.089 -9.152
54 HA GLU 6 HA GLU 6 3.720 -0.495 -11.917
55 HB2 GLU 6 2HB GLU 6 5.365 0.370 -10.161
56 HB3 GLU 6 3HB GLU 6 5.334 -1.255 -9.489
57 HG2 GLU 6 2HG GLU 6 6.363 -2.183 -11.353
58 HG3 GLU 6 3HG GLU 6 5.966 -0.804 -12.377
59 H ILE 7 H ILE 7 2.748 -2.188 -9.010
60 HA ILE 7 HA ILE 7 3.262 -4.809 -10.047
61 HB ILE 7 HB ILE 7 1.828 -3.768 -7.629
62 HG12 ILE 7 2HG1 ILE 7 4.307 -3.974 -7.652
63 HG13 ILE 7 3HG1 ILE 7 3.545 -4.997 -6.438
64 HG21 ILE 7 1HG2 ILE 7 0.390 -5.514 -8.018
65 HG22 ILE 7 2HG2 ILE 7 1.611 -6.479 -8.846
66 HG23 ILE 7 3HG2 ILE 7 1.650 -6.327 -7.090
67 HD11 ILE 7 3HD1 ILE 7 4.650 -5.858 -9.099
68 HD12 ILE 7 1HD1 ILE 7 5.304 -6.217 -7.501
69 HD13 ILE 7 2HD1 ILE 7 3.759 -6.909 -7.998
70 H THR 8 H THR 8 0.484 -2.663 -9.879
71 HA THR 8 HA THR 8 -1.610 -4.330 -10.448
72 HB THR 8 HB THR 8 -1.779 -1.859 -10.093
73 HG1 THR 8 HG1 THR 8 -3.706 -2.006 -10.969
74 HG21 THR 8 3HG2 THR 8 -1.518 -1.358 -12.993
75 HG22 THR 8 1HG2 THR 8 -0.011 -1.604 -12.110
76 HG23 THR 8 2HG2 THR 8 -1.120 -0.321 -11.623
77 H THR 9 H THR 9 1.003 -3.409 -12.537
78 HA THR 9 HA THR 9 -0.089 -3.912 -15.046
79 HB THR 9 HB THR 9 2.218 -4.386 -15.799
80 HG1 THR 9 HG1 THR 9 2.813 -4.231 -13.013
81 HG21 THR 9 3HG2 THR 9 2.983 -2.216 -15.542
82 HG22 THR 9 1HG2 THR 9 2.429 -2.107 -13.872
83 HG23 THR 9 2HG2 THR 9 1.264 -2.032 -15.195
84 H ILE 10 H ILE 10 1.862 -6.168 -13.081
85 HA ILE 10 HA ILE 10 0.948 -8.400 -14.696
86 HB ILE 10 HB ILE 10 2.559 -9.722 -13.620
87 HG12 ILE 10 2HG1 ILE 10 1.805 -8.848 -11.301
88 HG13 ILE 10 3HG1 ILE 10 3.475 -9.371 -11.496
89 HG21 ILE 10 1HG2 ILE 10 4.617 -8.194 -13.530
90 HG22 ILE 10 2HG2 ILE 10 3.722 -8.289 -15.046
91 HG23 ILE 10 3HG2 ILE 10 3.506 -6.901 -13.980
92 HD11 ILE 10 3HD1 ILE 10 3.122 -6.554 -12.082
93 HD12 ILE 10 1HD1 ILE 10 2.625 -6.979 -10.444
94 HD13 ILE 10 2HD1 ILE 10 4.257 -7.356 -10.996
95 H HIS 11 H HIS 11 0.189 -6.895 -11.692
96 HA HIS 11 HA HIS 11 -0.880 -8.990 -10.219
97 HB2 HIS 11 2HB HIS 11 -0.585 -6.696 -9.353
98 HB3 HIS 11 3HB HIS 11 -1.913 -6.150 -10.373
99 HD1 HIS 11 HD1 HIS 11 -2.237 -9.409 -8.595
100 HD2 HIS 11 HD2 HIS 11 -3.419 -5.457 -8.099
101 HE1 HIS 11 HE1 HIS 11 -3.962 -9.448 -6.766
102 H ASN 12 H ASN 12 -2.008 -7.581 -13.131
103 HA ASN 12 HA ASN 12 -4.762 -8.321 -12.840
104 HB2 ASN 12 2HB ASN 12 -3.060 -7.258 -15.060
105 HB3 ASN 12 3HB ASN 12 -4.624 -7.967 -15.451
106 HD21 ASN 12 1HD2 ASN 12 -3.635 -6.070 -12.640
107 HD22 ASN 12 2HD2 ASN 12 -4.759 -4.782 -12.894
108 H LEU 13 H LEU 13 -1.898 -9.976 -13.658
109 HA LEU 13 HA LEU 13 -3.474 -12.235 -14.706
110 HB2 LEU 13 2HB LEU 13 -1.755 -12.833 -16.151
111 HB3 LEU 13 3HB LEU 13 -1.823 -11.076 -16.276
112 HG LEU 13 HG LEU 13 0.063 -11.528 -14.298
113 HD11 LEU 13 1HD1 LEU 13 0.117 -13.699 -16.343
114 HD12 LEU 13 2HD1 LEU 13 0.455 -13.772 -14.614
115 HD13 LEU 13 3HD1 LEU 13 1.634 -13.055 -15.712
116 HD21 LEU 13 3HD2 LEU 13 1.626 -10.669 -15.917
117 HD22 LEU 13 1HD2 LEU 13 0.081 -9.841 -16.110
118 HD23 LEU 13 2HD2 LEU 13 0.550 -11.108 -17.244
119 H PHE 14 H PHE 14 -1.323 -11.102 -12.310
120 HA PHE 14 HA PHE 14 -0.263 -13.652 -11.536
121 HB2 PHE 14 2HB PHE 14 0.080 -10.883 -10.757
122 HB3 PHE 14 3HB PHE 14 -0.053 -11.925 -9.344
123 HD1 PHE 14 HD1 PHE 14 1.567 -13.741 -8.988
124 HD2 PHE 14 HD2 PHE 14 1.989 -10.950 -12.173
125 HE1 PHE 14 HE1 PHE 14 3.921 -14.407 -9.255
126 HE2 PHE 14 HE2 PHE 14 4.342 -11.612 -12.446
127 HZ PHE 14 HZ PHE 14 5.311 -13.343 -10.987
128 H ARG 15 H ARG 15 -3.273 -12.273 -11.246
129 HA ARG 15 HA ARG 15 -4.075 -12.902 -8.644
130 HB2 ARG 15 2HB ARG 15 -6.336 -12.769 -9.456
131 HB3 ARG 15 3HB ARG 15 -5.380 -11.537 -10.269
132 HG2 ARG 15 2HG ARG 15 -5.128 -13.446 -12.082
133 HG3 ARG 15 3HG ARG 15 -6.643 -13.989 -11.356
134 HD2 ARG 15 2HD ARG 15 -6.702 -11.147 -11.783
135 HD3 ARG 15 3HD ARG 15 -6.282 -11.979 -13.280
136 HE ARG 15 HE ARG 15 -8.407 -12.844 -13.365
137 HH11 ARG 15 1HH1 ARG 15 -7.836 -11.463 -10.221
138 HH12 ARG 15 2HH1 ARG 15 -9.489 -11.596 -9.719
139 HH21 ARG 15 1HH2 ARG 15 -10.586 -13.025 -12.716
140 HH22 ARG 15 2HH2 ARG 15 -11.052 -12.485 -11.138
141 H LYS 16 H LYS 16 -3.488 -14.923 -11.386
142 HA LYS 16 HA LYS 16 -4.967 -17.182 -10.368
143 HB2 LYS 16 2HB LYS 16 -4.250 -18.341 -12.307
144 HB3 LYS 16 3HB LYS 16 -4.563 -16.688 -12.822
145 HG2 LYS 16 2HG LYS 16 -1.916 -16.581 -12.173
146 HG3 LYS 16 3HG LYS 16 -2.075 -18.218 -12.813
147 HD2 LYS 16 2HD LYS 16 -3.277 -15.909 -14.288
148 HD3 LYS 16 3HD LYS 16 -1.549 -16.244 -14.427
149 HE2 LYS 16 2HE LYS 16 -3.391 -18.537 -14.761
150 HE3 LYS 16 3HE LYS 16 -3.387 -17.328 -16.045
151 HZ1 LYS 16 3HZ LYS 16 -1.401 -19.293 -15.376
152 HZ2 LYS 16 1HZ LYS 16 -0.752 -17.743 -15.575
153 HZ3 LYS 16 2HZ LYS 16 -1.645 -18.452 -16.824
154 H LEU 17 H LEU 17 -2.196 -15.762 -9.394
155 HA LEU 17 HA LEU 17 -1.023 -18.320 -8.520
156 HB2 LEU 17 2HB LEU 17 0.377 -15.714 -9.097
157 HB3 LEU 17 3HB LEU 17 1.147 -17.147 -8.419
158 HG LEU 17 HG LEU 17 -0.116 -17.004 -11.156
159 HD11 LEU 17 1HD1 LEU 17 1.759 -15.631 -11.322
160 HD12 LEU 17 2HD1 LEU 17 2.348 -17.211 -11.840
161 HD13 LEU 17 3HD1 LEU 17 2.705 -16.626 -10.215
162 HD21 LEU 17 3HD2 LEU 17 0.818 -19.177 -9.499
163 HD22 LEU 17 1HD2 LEU 17 1.727 -19.084 -11.007
164 HD23 LEU 17 2HD2 LEU 17 -0.031 -19.223 -11.045
165 H THR 18 H THR 18 -1.994 -15.084 -7.656
166 HA THR 18 HA THR 18 -0.918 -15.066 -5.029
167 HB THR 18 HB THR 18 -2.159 -13.096 -4.646
168 HG1 THR 18 HG1 THR 18 -3.954 -12.551 -6.051
169 HG21 THR 18 3HG2 THR 18 -2.124 -12.484 -7.460
170 HG22 THR 18 1HG2 THR 18 -0.698 -13.420 -7.015
171 HG23 THR 18 2HG2 THR 18 -1.057 -11.909 -6.179
172 H HIS 19 H HIS 19 -4.091 -15.927 -6.348
173 HA HIS 19 HA HIS 19 -5.360 -16.400 -3.874
174 HB2 HIS 19 2HB HIS 19 -7.099 -17.460 -5.136
175 HB3 HIS 19 3HB HIS 19 -6.511 -16.100 -6.089
176 HD1 HIS 19 HD1 HIS 19 -7.749 -19.189 -6.783
177 HD2 HIS 19 HD2 HIS 19 -4.105 -17.432 -7.733
178 HE1 HIS 19 HE1 HIS 19 -6.893 -20.454 -8.780
179 H ARG 20 H ARG 20 -2.913 -18.095 -5.458
180 HA ARG 20 HA ARG 20 -3.481 -20.511 -3.868
181 HB2 ARG 20 2HB ARG 20 -2.149 -20.237 -6.562
182 HB3 ARG 20 3HB ARG 20 -2.047 -21.699 -5.590
183 HG2 ARG 20 2HG ARG 20 -4.586 -20.454 -6.624
184 HG3 ARG 20 3HG ARG 20 -3.775 -21.866 -7.302
185 HD2 ARG 20 2HD ARG 20 -4.066 -23.013 -5.119
186 HD3 ARG 20 3HD ARG 20 -4.993 -21.623 -4.555
187 HE ARG 20 HE ARG 20 -6.300 -22.325 -6.801
188 HH11 ARG 20 1HH1 ARG 20 -5.233 -24.142 -4.029
189 HH12 ARG 20 2HH1 ARG 20 -6.522 -25.296 -4.126
190 HH21 ARG 20 1HH2 ARG 20 -8.001 -23.839 -6.939
191 HH22 ARG 20 2HH2 ARG 20 -8.095 -25.123 -5.783
192 H LEU 21 H LEU 21 -1.576 -17.848 -4.027
193 HA LEU 21 HA LEU 21 0.878 -19.174 -3.153
194 HB2 LEU 21 2HB LEU 21 0.174 -16.503 -4.202
195 HB3 LEU 21 3HB LEU 21 1.480 -16.560 -3.020
196 HG LEU 21 HG LEU 21 1.437 -18.149 -5.584
197 HD11 LEU 21 1HD1 LEU 21 2.466 -15.424 -4.937
198 HD12 LEU 21 2HD1 LEU 21 1.648 -16.004 -6.387
199 HD13 LEU 21 3HD1 LEU 21 3.333 -16.434 -6.095
200 HD21 LEU 21 3HD2 LEU 21 3.979 -17.569 -4.275
201 HD22 LEU 21 1HD2 LEU 21 3.355 -19.086 -4.923
202 HD23 LEU 21 2HD2 LEU 21 2.897 -18.565 -3.301
203 H PHE 22 H PHE 22 -0.538 -16.122 -2.036
204 HA PHE 22 HA PHE 22 0.269 -16.608 0.654
205 HB2 PHE 22 2HB PHE 22 -0.645 -14.471 1.156
206 HB3 PHE 22 3HB PHE 22 0.035 -14.340 -0.462
207 HD1 PHE 22 HD2 PHE 22 -3.054 -14.484 1.500
208 HD2 PHE 22 HD1 PHE 22 -1.370 -14.016 -2.381
209 HE1 PHE 22 HE2 PHE 22 -5.222 -13.681 0.659
210 HE2 PHE 22 HE1 PHE 22 -3.535 -13.211 -3.227
211 HZ PHE 22 HZ PHE 22 -5.465 -13.044 -1.707
212 H ARG 23 H ARG 23 -2.713 -16.990 -1.138
213 HA ARG 23 HA ARG 23 -4.482 -17.269 1.026
214 HB2 ARG 23 2HB ARG 23 -4.721 -17.277 -1.708
215 HB3 ARG 23 3HB ARG 23 -5.072 -18.952 -1.305
216 HG2 ARG 23 2HG ARG 23 -7.118 -17.698 -1.388
217 HG3 ARG 23 3HG ARG 23 -6.795 -18.179 0.279
218 HD2 ARG 23 2HD ARG 23 -5.985 -15.975 0.809
219 HD3 ARG 23 3HD ARG 23 -6.114 -15.481 -0.879
220 HE ARG 23 HE ARG 23 -8.367 -15.160 -0.585
221 HH11 ARG 23 1HH1 ARG 23 -7.084 -16.935 2.121
222 HH12 ARG 23 2HH1 ARG 23 -8.535 -16.810 3.059
223 HH21 ARG 23 1HH2 ARG 23 -10.284 -14.988 0.640
224 HH22 ARG 23 2HH2 ARG 23 -10.355 -15.703 2.215
225 H ARG 24 H ARG 24 -2.362 -19.562 -0.590
226 HA ARG 24 HA ARG 24 -2.160 -21.275 1.609
227 HB2 ARG 24 2HB ARG 24 -3.391 -23.259 0.639
228 HB3 ARG 24 3HB ARG 24 -4.406 -21.969 1.271
229 HG2 ARG 24 2HG ARG 24 -3.939 -21.428 -1.468
230 HG3 ARG 24 3HG ARG 24 -4.403 -23.125 -1.319
231 HD2 ARG 24 2HD ARG 24 -6.184 -21.950 0.353
232 HD3 ARG 24 3HD ARG 24 -5.970 -20.681 -0.852
233 HE ARG 24 HE ARG 24 -7.058 -21.994 -2.391
234 HH11 ARG 24 1HH1 ARG 24 -6.250 -23.901 0.408
235 HH12 ARG 24 2HH1 ARG 24 -7.193 -25.266 -0.088
236 HH21 ARG 24 1HH2 ARG 24 -8.304 -23.786 -3.055
237 HH22 ARG 24 2HH2 ARG 24 -8.361 -25.200 -2.058
Start of MODEL 5
1 H1 TRP 1 H TRP 1 2.418 0.330 0.717
2 HA TRP 1 HA TRP 1 4.330 -0.294 -0.983
3 HB2 TRP 1 2HB TRP 1 2.678 -2.429 -1.254
4 HB3 TRP 1 3HB TRP 1 2.095 -1.408 -2.565
5 HD1 TRP 1 HD1 TRP 1 3.166 -2.201 -4.741
6 HE1 TRP 1 HE1 TRP 1 5.515 -2.948 -5.484
7 HE3 TRP 1 HE3 TRP 1 5.552 -1.987 -0.225
8 HZ2 TRP 1 HZ2 TRP 1 8.044 -3.389 -4.310
9 HZ3 TRP 1 HZ3 TRP 1 7.935 -2.588 -0.120
10 HH2 TRP 1 HH2 TRP 1 9.154 -3.275 -2.121
11 H TRP 2 H TRP 2 4.536 1.744 -1.642
12 HA TRP 2 HA TRP 2 2.226 3.316 -2.399
13 HB2 TRP 2 2HB TRP 2 3.513 5.100 -1.923
14 HB3 TRP 2 3HB TRP 2 4.652 3.934 -1.254
15 HD1 TRP 2 HD1 TRP 2 6.949 3.662 -2.461
16 HE1 TRP 2 HE1 TRP 2 8.057 4.814 -4.478
17 HE3 TRP 2 HE3 TRP 2 2.890 6.173 -4.293
18 HZ2 TRP 2 HZ2 TRP 2 7.310 6.558 -6.568
19 HZ3 TRP 2 HZ3 TRP 2 3.172 7.562 -6.304
20 HH2 TRP 2 HH2 TRP 2 5.337 7.749 -7.417
21 H TRP 3 H TRP 3 4.881 1.658 -3.946
22 HA TRP 3 HA TRP 3 4.276 2.821 -6.541
23 HB2 TRP 3 2HB TRP 3 6.593 1.839 -5.404
24 HB3 TRP 3 3HB TRP 3 6.122 0.551 -6.510
25 HD1 TRP 3 HD1 TRP 3 5.605 4.299 -7.241
26 HE1 TRP 3 HE1 TRP 3 6.988 4.912 -9.324
27 HE3 TRP 3 HE3 TRP 3 8.060 -0.133 -7.918
28 HZ2 TRP 3 HZ2 TRP 3 8.870 3.679 -11.028
29 HZ3 TRP 3 HZ3 TRP 3 9.635 -0.334 -9.798
30 HH2 TRP 3 HH2 TRP 3 10.030 1.534 -11.320
31 H LYS 4 H LYS 4 2.309 1.133 -5.118
32 HA LYS 4 HA LYS 4 2.145 -1.430 -6.252
33 HB2 LYS 4 2HB LYS 4 0.761 -0.199 -4.338
34 HB3 LYS 4 3HB LYS 4 -0.361 0.070 -5.665
35 HG2 LYS 4 2HG LYS 4 -0.572 -2.289 -6.042
36 HG3 LYS 4 3HG LYS 4 0.689 -2.632 -4.855
37 HD2 LYS 4 2HD LYS 4 -0.686 -2.234 -3.078
38 HD3 LYS 4 3HD LYS 4 -1.653 -1.045 -3.954
39 HE2 LYS 4 2HE LYS 4 -2.935 -2.679 -5.001
40 HE3 LYS 4 3HE LYS 4 -1.736 -3.939 -4.716
41 HZ1 LYS 4 3HZ LYS 4 -3.699 -2.795 -2.843
42 HZ2 LYS 4 1HZ LYS 4 -2.282 -3.504 -2.251
43 HZ3 LYS 4 2HZ LYS 4 -3.362 -4.419 -3.176
44 H TYR 5 H TYR 5 1.685 1.644 -7.635
45 HA TYR 5 HA TYR 5 -0.260 1.117 -9.582
46 HB2 TYR 5 2HB TYR 5 2.112 2.963 -9.895
47 HB3 TYR 5 3HB TYR 5 0.565 3.069 -10.727
48 HD1 TYR 5 HD2 TYR 5 -1.379 2.758 -8.592
49 HD2 TYR 5 HD1 TYR 5 2.319 4.863 -8.586
50 HE1 TYR 5 HE2 TYR 5 -2.231 4.240 -6.824
51 HE2 TYR 5 HE1 TYR 5 1.477 6.350 -6.817
52 HH TYR 5 HH TYR 5 -0.417 6.052 -4.911
53 H GLU 6 H GLU 6 3.235 0.611 -9.581
54 HA GLU 6 HA GLU 6 3.406 -0.192 -12.303
55 HB2 GLU 6 2HB GLU 6 5.299 0.623 -10.793
56 HB3 GLU 6 3HB GLU 6 5.316 -1.000 -10.117
57 HG2 GLU 6 2HG GLU 6 5.648 -1.841 -12.473
58 HG3 GLU 6 3HG GLU 6 5.930 -0.163 -12.934
59 H ILE 7 H ILE 7 2.803 -1.873 -9.290
60 HA ILE 7 HA ILE 7 3.190 -4.506 -10.235
61 HB ILE 7 HB ILE 7 1.734 -3.330 -7.900
62 HG12 ILE 7 2HG1 ILE 7 4.203 -3.662 -7.876
63 HG13 ILE 7 3HG1 ILE 7 3.369 -4.579 -6.626
64 HG21 ILE 7 1HG2 ILE 7 0.220 -5.016 -8.218
65 HG22 ILE 7 2HG2 ILE 7 1.386 -6.061 -9.028
66 HG23 ILE 7 3HG2 ILE 7 1.440 -5.871 -7.275
67 HD11 ILE 7 3HD1 ILE 7 4.451 -5.640 -9.223
68 HD12 ILE 7 1HD1 ILE 7 5.084 -5.936 -7.604
69 HD13 ILE 7 2HD1 ILE 7 3.509 -6.580 -8.067
70 H THR 8 H THR 8 0.442 -2.325 -10.287
71 HA THR 8 HA THR 8 -1.680 -3.953 -10.794
72 HB THR 8 HB THR 8 -2.740 -2.170 -11.958
73 HG1 THR 8 HG1 THR 8 -0.095 -1.440 -12.621
74 HG21 THR 8 3HG2 THR 8 -2.413 -0.327 -10.495
75 HG22 THR 8 1HG2 THR 8 -0.745 -0.794 -10.167
76 HG23 THR 8 2HG2 THR 8 -2.073 -1.776 -9.549
77 H THR 9 H THR 9 0.984 -3.230 -12.937
78 HA THR 9 HA THR 9 -0.059 -4.044 -15.379
79 HB THR 9 HB THR 9 2.270 -4.571 -16.040
80 HG1 THR 9 HG1 THR 9 3.845 -4.002 -14.261
81 HG21 THR 9 3HG2 THR 9 3.145 -2.347 -15.800
82 HG22 THR 9 1HG2 THR 9 2.120 -2.043 -14.398
83 HG23 THR 9 2HG2 THR 9 1.396 -2.231 -15.996
84 H ILE 10 H ILE 10 2.011 -6.047 -13.269
85 HA ILE 10 HA ILE 10 1.182 -8.454 -14.606
86 HB ILE 10 HB ILE 10 2.723 -9.610 -13.260
87 HG12 ILE 10 2HG1 ILE 10 1.785 -8.450 -11.128
88 HG13 ILE 10 3HG1 ILE 10 3.456 -9.003 -11.132
89 HG21 ILE 10 1HG2 ILE 10 4.755 -8.078 -13.242
90 HG22 ILE 10 2HG2 ILE 10 3.933 -8.298 -14.785
91 HG23 ILE 10 3HG2 ILE 10 3.675 -6.824 -13.851
92 HD11 ILE 10 3HD1 ILE 10 4.271 -6.928 -10.953
93 HD12 ILE 10 1HD1 ILE 10 3.070 -6.248 -12.051
94 HD13 ILE 10 2HD1 ILE 10 2.654 -6.544 -10.363
95 H HIS 11 H HIS 11 0.192 -6.671 -11.820
96 HA HIS 11 HA HIS 11 -0.959 -8.631 -10.231
97 HB2 HIS 11 2HB HIS 11 -0.756 -6.261 -9.573
98 HB3 HIS 11 3HB HIS 11 -2.008 -5.837 -10.737
99 HD1 HIS 11 HD1 HIS 11 -2.119 -8.751 -8.322
100 HD2 HIS 11 HD2 HIS 11 -4.006 -5.116 -9.018
101 HE1 HIS 11 HE1 HIS 11 -4.057 -8.683 -6.722
102 H ASN 12 H ASN 12 -1.890 -7.536 -13.341
103 HA ASN 12 HA ASN 12 -4.651 -8.272 -13.183
104 HB2 ASN 12 2HB ASN 12 -2.814 -7.235 -15.230
105 HB3 ASN 12 3HB ASN 12 -4.061 -8.308 -15.859
106 HD21 ASN 12 1HD2 ASN 12 -4.024 -5.893 -13.262
107 HD22 ASN 12 2HD2 ASN 12 -5.354 -4.971 -13.869
108 H LEU 13 H LEU 13 -1.725 -9.980 -13.625
109 HA LEU 13 HA LEU 13 -3.227 -12.365 -14.485
110 HB2 LEU 13 2HB LEU 13 -0.514 -12.809 -15.001
111 HB3 LEU 13 3HB LEU 13 -1.807 -12.556 -16.172
112 HG LEU 13 HG LEU 13 -0.340 -10.230 -14.975
113 HD11 LEU 13 1HD1 LEU 13 1.498 -11.345 -15.813
114 HD12 LEU 13 2HD1 LEU 13 0.988 -10.385 -17.201
115 HD13 LEU 13 3HD1 LEU 13 0.581 -12.099 -17.117
116 HD21 LEU 13 3HD2 LEU 13 -1.295 -10.314 -17.770
117 HD22 LEU 13 1HD2 LEU 13 -1.341 -9.004 -16.590
118 HD23 LEU 13 2HD2 LEU 13 -2.533 -10.301 -16.513
119 H PHE 14 H PHE 14 -1.239 -10.933 -12.114
120 HA PHE 14 HA PHE 14 -0.178 -13.345 -10.995
121 HB2 PHE 14 2HB PHE 14 0.038 -10.503 -10.505
122 HB3 PHE 14 3HB PHE 14 -0.195 -11.377 -8.995
123 HD1 PHE 14 HD1 PHE 14 1.426 -13.087 -8.291
124 HD2 PHE 14 HD2 PHE 14 2.060 -10.681 -11.744
125 HE1 PHE 14 HE1 PHE 14 3.806 -13.710 -8.283
126 HE2 PHE 14 HE2 PHE 14 4.442 -11.301 -11.742
127 HZ PHE 14 HZ PHE 14 5.317 -12.817 -10.011
128 H ARG 15 H ARG 15 -3.141 -11.600 -10.721
129 HA ARG 15 HA ARG 15 -4.026 -12.329 -8.192
130 HB2 ARG 15 2HB ARG 15 -6.323 -12.095 -9.137
131 HB3 ARG 15 3HB ARG 15 -5.264 -10.739 -9.501
132 HG2 ARG 15 2HG ARG 15 -5.681 -10.987 -11.657
133 HG3 ARG 15 3HG ARG 15 -5.018 -12.621 -11.605
134 HD2 ARG 15 2HD ARG 15 -7.095 -13.594 -11.305
135 HD3 ARG 15 3HD ARG 15 -7.805 -12.116 -10.656
136 HE ARG 15 HE ARG 15 -7.038 -11.768 -13.364
137 HH11 ARG 15 1HH1 ARG 15 -9.469 -13.234 -11.349
138 HH12 ARG 15 2HH1 ARG 15 -10.705 -13.158 -12.561
139 HH21 ARG 15 1HH2 ARG 15 -8.657 -11.662 -14.968
140 HH22 ARG 15 2HH2 ARG 15 -10.242 -12.264 -14.619
141 H LYS 16 H LYS 16 -3.749 -14.216 -11.097
142 HA LYS 16 HA LYS 16 -5.489 -16.330 -10.370
143 HB2 LYS 16 2HB LYS 16 -4.567 -17.526 -12.199
144 HB3 LYS 16 3HB LYS 16 -4.580 -15.835 -12.682
145 HG2 LYS 16 2HG LYS 16 -2.469 -16.233 -13.303
146 HG3 LYS 16 3HG LYS 16 -2.110 -16.039 -11.586
147 HD2 LYS 16 2HD LYS 16 -1.060 -18.049 -12.202
148 HD3 LYS 16 3HD LYS 16 -2.543 -18.545 -11.383
149 HE2 LYS 16 2HE LYS 16 -3.627 -18.795 -13.594
150 HE3 LYS 16 3HE LYS 16 -2.090 -18.401 -14.362
151 HZ1 LYS 16 3HZ LYS 16 -1.206 -20.406 -13.836
152 HZ2 LYS 16 1HZ LYS 16 -2.829 -20.876 -13.908
153 HZ3 LYS 16 2HZ LYS 16 -2.102 -20.575 -12.411
154 H LEU 17 H LEU 17 -2.244 -15.513 -9.486
155 HA LEU 17 HA LEU 17 -1.704 -18.159 -8.396
156 HB2 LEU 17 2HB LEU 17 0.065 -16.894 -9.561
157 HB3 LEU 17 3HB LEU 17 -0.034 -15.649 -8.317
158 HG LEU 17 HG LEU 17 0.432 -18.118 -7.010
159 HD11 LEU 17 1HD1 LEU 17 2.801 -18.354 -8.164
160 HD12 LEU 17 2HD1 LEU 17 1.897 -17.793 -9.570
161 HD13 LEU 17 3HD1 LEU 17 1.395 -19.259 -8.727
162 HD21 LEU 17 3HD2 LEU 17 2.300 -16.992 -6.124
163 HD22 LEU 17 1HD2 LEU 17 1.094 -15.739 -6.417
164 HD23 LEU 17 2HD2 LEU 17 2.441 -15.945 -7.536
165 H THR 18 H THR 18 -2.504 -14.920 -7.326
166 HA THR 18 HA THR 18 -1.916 -15.112 -4.618
167 HB THR 18 HB THR 18 -3.557 -13.359 -4.242
168 HG1 THR 18 HG1 THR 18 -4.582 -14.332 -6.657
169 HG21 THR 18 3HG2 THR 18 -2.859 -11.788 -6.148
170 HG22 THR 18 1HG2 THR 18 -1.919 -13.151 -6.753
171 HG23 THR 18 2HG2 THR 18 -1.580 -12.486 -5.155
172 H HIS 19 H HIS 19 -4.720 -16.265 -6.412
173 HA HIS 19 HA HIS 19 -6.341 -16.932 -4.212
174 HB2 HIS 19 2HB HIS 19 -6.642 -16.993 -6.934
175 HB3 HIS 19 3HB HIS 19 -6.568 -18.708 -6.544
176 HD1 HIS 19 HD1 HIS 19 -8.657 -15.646 -5.989
177 HD2 HIS 19 HD2 HIS 19 -8.781 -19.721 -5.192
178 HE1 HIS 19 HE1 HIS 19 -11.005 -16.109 -5.215
179 H ARG 20 H ARG 20 -3.522 -18.405 -5.499
180 HA ARG 20 HA ARG 20 -4.034 -20.873 -3.985
181 HB2 ARG 20 2HB ARG 20 -1.949 -20.324 -6.105
182 HB3 ARG 20 3HB ARG 20 -2.221 -21.866 -5.305
183 HG2 ARG 20 2HG ARG 20 -4.148 -20.430 -7.118
184 HG3 ARG 20 3HG ARG 20 -3.213 -21.876 -7.505
185 HD2 ARG 20 2HD ARG 20 -4.455 -22.699 -5.262
186 HD3 ARG 20 3HD ARG 20 -5.657 -21.567 -5.880
187 HE ARG 20 HE ARG 20 -4.716 -23.374 -7.886
188 HH11 ARG 20 1HH1 ARG 20 -6.927 -23.017 -5.221
189 HH12 ARG 20 2HH1 ARG 20 -8.032 -24.215 -5.807
190 HH21 ARG 20 1HH2 ARG 20 -6.163 -24.954 -8.668
191 HH22 ARG 20 2HH2 ARG 20 -7.597 -25.317 -7.768
192 H LEU 21 H LEU 21 -2.270 -17.975 -3.939
193 HA LEU 21 HA LEU 21 -0.131 -19.021 -2.265
194 HB2 LEU 21 2HB LEU 21 0.772 -17.422 -3.618
195 HB3 LEU 21 3HB LEU 21 -0.703 -16.459 -3.648
196 HG LEU 21 HG LEU 21 -0.196 -15.639 -1.387
197 HD11 LEU 21 1HD1 LEU 21 2.566 -16.372 -1.263
198 HD12 LEU 21 2HD1 LEU 21 1.570 -17.825 -1.338
199 HD13 LEU 21 3HD1 LEU 21 1.289 -16.627 -0.074
200 HD21 LEU 21 3HD2 LEU 21 2.095 -15.270 -3.314
201 HD22 LEU 21 1HD2 LEU 21 1.635 -14.182 -2.004
202 HD23 LEU 21 2HD2 LEU 21 0.558 -14.406 -3.383
203 H PHE 22 H PHE 22 -3.044 -17.082 -2.007
204 HA PHE 22 HA PHE 22 -2.566 -16.440 0.773
205 HB2 PHE 22 2HB PHE 22 -4.721 -15.818 -1.212
206 HB3 PHE 22 3HB PHE 22 -5.045 -15.613 0.507
207 HD1 PHE 22 HD2 PHE 22 -3.758 -13.979 1.822
208 HD2 PHE 22 HD1 PHE 22 -3.311 -14.317 -2.397
209 HE1 PHE 22 HE2 PHE 22 -2.673 -11.771 1.764
210 HE2 PHE 22 HE1 PHE 22 -2.224 -12.110 -2.462
211 HZ PHE 22 HZ PHE 22 -1.905 -10.834 -0.380
212 H ARG 23 H ARG 23 -4.238 -18.846 -1.076
213 HA ARG 23 HA ARG 23 -5.712 -19.798 1.257
214 HB2 ARG 23 2HB ARG 23 -5.759 -20.496 -1.667
215 HB3 ARG 23 3HB ARG 23 -6.527 -21.533 -0.473
216 HG2 ARG 23 2HG ARG 23 -8.122 -19.936 0.075
217 HG3 ARG 23 3HG ARG 23 -7.170 -18.615 -0.606
218 HD2 ARG 23 2HD ARG 23 -8.122 -18.869 -2.601
219 HD3 ARG 23 3HD ARG 23 -7.754 -20.594 -2.615
220 HE ARG 23 HE ARG 23 -10.263 -19.364 -1.955
221 HH11 ARG 23 1HH1 ARG 23 -8.252 -22.171 -1.508
222 HH12 ARG 23 2HH1 ARG 23 -9.579 -23.225 -1.147
223 HH21 ARG 23 1HH2 ARG 23 -12.018 -20.741 -1.481
224 HH22 ARG 23 2HH2 ARG 23 -11.721 -22.411 -1.133
225 H ARG 24 H ARG 24 -2.969 -20.609 -0.737
226 HA ARG 24 HA ARG 24 -2.231 -22.690 1.169
227 HB2 ARG 24 2HB ARG 24 -2.824 -23.131 -1.720
228 HB3 ARG 24 3HB ARG 24 -1.485 -24.019 -1.005
229 HG2 ARG 24 2HG ARG 24 -2.963 -25.523 -0.329
230 HG3 ARG 24 3HG ARG 24 -3.571 -24.318 0.807
231 HD2 ARG 24 2HD ARG 24 -5.479 -24.952 -0.354
232 HD3 ARG 24 3HD ARG 24 -4.978 -23.480 -1.185
233 HE ARG 24 HE ARG 24 -4.658 -24.722 -3.070
234 HH11 ARG 24 1HH1 ARG 24 -4.633 -26.853 -0.317
235 HH12 ARG 24 2HH1 ARG 24 -4.546 -28.296 -1.271
236 HH21 ARG 24 1HH2 ARG 24 -4.543 -26.615 -4.337
237 HH22 ARG 24 2HH2 ARG 24 -4.494 -28.160 -3.557
Start of MODEL 6
1 H1 TRP 1 H TRP 1 2.016 0.650 0.615
2 HA TRP 1 HA TRP 1 3.775 -0.157 -0.918
3 HB2 TRP 1 2HB TRP 1 1.943 -2.081 -1.451
4 HB3 TRP 1 3HB TRP 1 1.734 -1.048 -2.863
5 HD1 TRP 1 HD1 TRP 1 3.031 -2.126 -4.784
6 HE1 TRP 1 HE1 TRP 1 5.373 -3.152 -5.084
7 HE3 TRP 1 HE3 TRP 1 4.667 -1.847 0.052
8 HZ2 TRP 1 HZ2 TRP 1 7.616 -3.762 -3.483
9 HZ3 TRP 1 HZ3 TRP 1 6.922 -2.674 0.584
10 HH2 TRP 1 HH2 TRP 1 8.364 -3.612 -1.149
11 H TRP 2 H TRP 2 4.389 1.775 -1.626
12 HA TRP 2 HA TRP 2 2.482 3.628 -2.768
13 HB2 TRP 2 2HB TRP 2 3.946 5.222 -2.154
14 HB3 TRP 2 3HB TRP 2 4.787 3.937 -1.293
15 HD1 TRP 2 HD1 TRP 2 7.160 3.264 -2.146
16 HE1 TRP 2 HE1 TRP 2 8.706 4.144 -4.007
17 HE3 TRP 2 HE3 TRP 2 3.837 6.267 -4.611
18 HZ2 TRP 2 HZ2 TRP 2 8.539 5.881 -6.226
19 HZ3 TRP 2 HZ3 TRP 2 4.610 7.504 -6.593
20 HH2 TRP 2 HH2 TRP 2 6.913 7.314 -7.382
21 H TRP 3 H TRP 3 5.066 1.538 -3.852
22 HA TRP 3 HA TRP 3 4.994 2.634 -6.546
23 HB2 TRP 3 2HB TRP 3 6.970 1.401 -5.040
24 HB3 TRP 3 3HB TRP 3 6.503 0.161 -6.201
25 HD1 TRP 3 HD1 TRP 3 6.547 3.904 -7.073
26 HE1 TRP 3 HE1 TRP 3 8.319 4.291 -8.899
27 HE3 TRP 3 HE3 TRP 3 8.603 -0.774 -7.212
28 HZ2 TRP 3 HZ2 TRP 3 10.323 2.809 -10.224
29 HZ3 TRP 3 HZ3 TRP 3 10.444 -1.207 -8.787
30 HH2 TRP 3 HH2 TRP 3 11.284 0.548 -10.261
31 H LYS 4 H LYS 4 2.646 1.275 -5.359
32 HA LYS 4 HA LYS 4 2.321 -1.297 -6.457
33 HB2 LYS 4 2HB LYS 4 0.875 0.179 -4.745
34 HB3 LYS 4 3HB LYS 4 -0.061 0.460 -6.208
35 HG2 LYS 4 2HG LYS 4 0.413 -2.292 -6.150
36 HG3 LYS 4 3HG LYS 4 0.004 -1.842 -4.492
37 HD2 LYS 4 2HD LYS 4 -1.867 -0.446 -5.845
38 HD3 LYS 4 3HD LYS 4 -1.655 -1.820 -6.932
39 HE2 LYS 4 2HE LYS 4 -2.034 -3.341 -5.022
40 HE3 LYS 4 3HE LYS 4 -2.330 -1.940 -3.994
41 HZ1 LYS 4 3HZ LYS 4 -4.181 -1.344 -5.482
42 HZ2 LYS 4 1HZ LYS 4 -4.408 -2.842 -4.728
43 HZ3 LYS 4 2HZ LYS 4 -3.932 -2.774 -6.350
44 H TYR 5 H TYR 5 2.433 1.755 -7.930
45 HA TYR 5 HA TYR 5 0.659 1.421 -10.081
46 HB2 TYR 5 2HB TYR 5 3.260 2.957 -10.148
47 HB3 TYR 5 3HB TYR 5 1.833 3.232 -11.141
48 HD1 TYR 5 HD2 TYR 5 -0.332 3.170 -9.174
49 HD2 TYR 5 HD1 TYR 5 3.550 4.889 -8.892
50 HE1 TYR 5 HE2 TYR 5 -1.174 4.786 -7.521
51 HE2 TYR 5 HE1 TYR 5 2.719 6.509 -7.238
52 HH TYR 5 HH TYR 5 0.359 7.540 -6.696
53 H GLU 6 H GLU 6 3.838 0.160 -9.477
54 HA GLU 6 HA GLU 6 4.146 -0.740 -12.234
55 HB2 GLU 6 2HB GLU 6 6.047 -1.434 -10.024
56 HB3 GLU 6 3HB GLU 6 6.374 -1.199 -11.735
57 HG2 GLU 6 2HG GLU 6 5.489 1.267 -11.012
58 HG3 GLU 6 3HG GLU 6 6.309 0.737 -9.544
59 H ILE 7 H ILE 7 2.433 -1.787 -9.707
60 HA ILE 7 HA ILE 7 3.076 -4.629 -10.062
61 HB ILE 7 HB ILE 7 1.615 -3.112 -7.930
62 HG12 ILE 7 2HG1 ILE 7 4.058 -3.535 -7.752
63 HG13 ILE 7 3HG1 ILE 7 3.138 -4.293 -6.457
64 HG21 ILE 7 1HG2 ILE 7 0.036 -4.754 -8.104
65 HG22 ILE 7 2HG2 ILE 7 1.169 -5.928 -8.769
66 HG23 ILE 7 3HG2 ILE 7 1.190 -5.562 -7.044
67 HD11 ILE 7 3HD1 ILE 7 3.248 -6.429 -7.711
68 HD12 ILE 7 1HD1 ILE 7 4.304 -5.636 -8.880
69 HD13 ILE 7 2HD1 ILE 7 4.820 -5.812 -7.202
70 H THR 8 H THR 8 0.440 -2.301 -10.328
71 HA THR 8 HA THR 8 -1.717 -3.912 -10.826
72 HB THR 8 HB THR 8 -2.733 -2.117 -12.010
73 HG1 THR 8 HG1 THR 8 -1.622 -0.689 -13.198
74 HG21 THR 8 3HG2 THR 8 -2.387 -0.265 -10.553
75 HG22 THR 8 1HG2 THR 8 -0.744 -0.782 -10.180
76 HG23 THR 8 2HG2 THR 8 -2.118 -1.722 -9.596
77 H THR 9 H THR 9 1.007 -3.269 -12.908
78 HA THR 9 HA THR 9 0.002 -4.042 -15.378
79 HB THR 9 HB THR 9 2.154 -3.126 -15.431
80 HG1 THR 9 HG1 THR 9 2.738 -4.542 -16.879
81 HG21 THR 9 3HG2 THR 9 2.491 -4.456 -12.971
82 HG22 THR 9 1HG2 THR 9 3.594 -3.317 -13.741
83 HG23 THR 9 2HG2 THR 9 3.765 -5.047 -14.037
84 H ILE 10 H ILE 10 1.683 -6.084 -12.984
85 HA ILE 10 HA ILE 10 0.869 -8.478 -14.421
86 HB ILE 10 HB ILE 10 2.338 -9.695 -13.060
87 HG12 ILE 10 2HG1 ILE 10 1.393 -8.497 -10.942
88 HG13 ILE 10 3HG1 ILE 10 3.026 -9.154 -10.905
89 HG21 ILE 10 1HG2 ILE 10 4.434 -8.264 -12.984
90 HG22 ILE 10 2HG2 ILE 10 3.630 -8.406 -14.546
91 HG23 ILE 10 3HG2 ILE 10 3.429 -6.944 -13.581
92 HD11 ILE 10 3HD1 ILE 10 3.975 -7.127 -10.726
93 HD12 ILE 10 1HD1 ILE 10 2.796 -6.360 -11.790
94 HD13 ILE 10 2HD1 ILE 10 2.388 -6.676 -10.103
95 H HIS 11 H HIS 11 -0.096 -6.610 -11.689
96 HA HIS 11 HA HIS 11 -1.367 -8.500 -10.098
97 HB2 HIS 11 2HB HIS 11 -1.044 -6.131 -9.464
98 HB3 HIS 11 3HB HIS 11 -2.272 -5.663 -10.637
99 HD1 HIS 11 HD1 HIS 11 -2.501 -8.531 -8.170
100 HD2 HIS 11 HD2 HIS 11 -4.262 -4.851 -8.957
101 HE1 HIS 11 HE1 HIS 11 -4.445 -8.364 -6.585
102 H ASN 12 H ASN 12 -2.169 -7.410 -13.237
103 HA ASN 12 HA ASN 12 -4.973 -8.007 -13.112
104 HB2 ASN 12 2HB ASN 12 -3.124 -6.886 -15.039
105 HB3 ASN 12 3HB ASN 12 -4.181 -8.072 -15.800
106 HD21 ASN 12 1HD2 ASN 12 -3.860 -4.900 -14.951
107 HD22 ASN 12 2HD2 ASN 12 -5.520 -4.424 -15.008
108 H LEU 13 H LEU 13 -2.117 -9.831 -13.517
109 HA LEU 13 HA LEU 13 -3.699 -12.143 -14.431
110 HB2 LEU 13 2HB LEU 13 -1.465 -13.023 -15.259
111 HB3 LEU 13 3HB LEU 13 -2.204 -11.709 -16.172
112 HG LEU 13 HG LEU 13 -0.653 -10.182 -14.767
113 HD11 LEU 13 1HD1 LEU 13 1.415 -12.156 -14.672
114 HD12 LEU 13 2HD1 LEU 13 0.045 -12.684 -13.695
115 HD13 LEU 13 3HD1 LEU 13 0.800 -11.121 -13.383
116 HD21 LEU 13 3HD2 LEU 13 -0.063 -11.864 -17.126
117 HD22 LEU 13 1HD2 LEU 13 1.300 -11.025 -16.387
118 HD23 LEU 13 2HD2 LEU 13 -0.093 -10.108 -16.960
119 H PHE 14 H PHE 14 -1.756 -10.811 -11.985
120 HA PHE 14 HA PHE 14 -0.809 -13.284 -10.874
121 HB2 PHE 14 2HB PHE 14 -0.454 -10.459 -10.365
122 HB3 PHE 14 3HB PHE 14 -0.759 -11.327 -8.864
123 HD1 PHE 14 HD1 PHE 14 0.760 -13.111 -8.133
124 HD2 PHE 14 HD2 PHE 14 1.574 -10.748 -11.578
125 HE1 PHE 14 HE1 PHE 14 3.105 -13.857 -8.086
126 HE2 PHE 14 HE2 PHE 14 3.919 -11.491 -11.538
127 HZ PHE 14 HZ PHE 14 4.687 -13.048 -9.791
128 H ARG 15 H ARG 15 -3.685 -11.396 -10.651
129 HA ARG 15 HA ARG 15 -4.649 -12.093 -8.138
130 HB2 ARG 15 2HB ARG 15 -6.925 -11.762 -9.162
131 HB3 ARG 15 3HB ARG 15 -5.802 -10.429 -9.394
132 HG2 ARG 15 2HG ARG 15 -5.859 -10.623 -11.613
133 HG3 ARG 15 3HG ARG 15 -5.715 -12.381 -11.551
134 HD2 ARG 15 2HD ARG 15 -8.235 -10.776 -11.137
135 HD3 ARG 15 3HD ARG 15 -7.826 -11.727 -12.564
136 HE ARG 15 HE ARG 15 -7.815 -13.281 -10.162
137 HH11 ARG 15 1HH1 ARG 15 -9.844 -11.941 -12.653
138 HH12 ARG 15 2HH1 ARG 15 -11.090 -13.129 -12.459
139 HH21 ARG 15 1HH2 ARG 15 -9.448 -14.850 -9.896
140 HH22 ARG 15 2HH2 ARG 15 -10.864 -14.783 -10.889
141 H LYS 16 H LYS 16 -4.349 -13.987 -11.018
142 HA LYS 16 HA LYS 16 -6.227 -16.016 -10.290
143 HB2 LYS 16 2HB LYS 16 -5.452 -17.205 -12.189
144 HB3 LYS 16 3HB LYS 16 -5.411 -15.504 -12.634
145 HG2 LYS 16 2HG LYS 16 -3.373 -16.080 -13.407
146 HG3 LYS 16 3HG LYS 16 -2.911 -15.761 -11.734
147 HD2 LYS 16 2HD LYS 16 -2.503 -17.936 -11.300
148 HD3 LYS 16 3HD LYS 16 -3.872 -18.490 -12.267
149 HE2 LYS 16 2HE LYS 16 -1.663 -17.304 -13.800
150 HE3 LYS 16 3HE LYS 16 -1.263 -18.800 -12.958
151 HZ1 LYS 16 3HZ LYS 16 -3.784 -18.895 -14.340
152 HZ2 LYS 16 1HZ LYS 16 -2.499 -19.995 -14.357
153 HZ3 LYS 16 2HZ LYS 16 -2.467 -18.643 -15.371
154 H LEU 17 H LEU 17 -2.909 -15.358 -9.555
155 HA LEU 17 HA LEU 17 -2.332 -18.040 -8.647
156 HB2 LEU 17 2HB LEU 17 -0.632 -16.500 -9.651
157 HB3 LEU 17 3HB LEU 17 -0.743 -15.523 -8.188
158 HG LEU 17 HG LEU 17 -0.063 -17.677 -6.951
159 HD11 LEU 17 1HD1 LEU 17 -0.274 -19.353 -8.555
160 HD12 LEU 17 2HD1 LEU 17 1.464 -19.066 -8.472
161 HD13 LEU 17 3HD1 LEU 17 0.522 -18.392 -9.802
162 HD21 LEU 17 3HD2 LEU 17 1.312 -15.553 -7.547
163 HD22 LEU 17 1HD2 LEU 17 2.108 -16.615 -8.709
164 HD23 LEU 17 2HD2 LEU 17 2.147 -17.004 -6.989
165 H THR 18 H THR 18 -3.276 -14.965 -7.258
166 HA THR 18 HA THR 18 -2.717 -15.423 -4.574
167 HB THR 18 HB THR 18 -4.424 -13.777 -4.045
168 HG1 THR 18 HG1 THR 18 -5.223 -13.586 -6.729
169 HG21 THR 18 3HG2 THR 18 -3.759 -11.988 -5.759
170 HG22 THR 18 1HG2 THR 18 -2.766 -13.246 -6.495
171 HG23 THR 18 2HG2 THR 18 -2.467 -12.747 -4.830
172 H HIS 19 H HIS 19 -5.456 -16.469 -6.529
173 HA HIS 19 HA HIS 19 -7.157 -17.373 -4.527
174 HB2 HIS 19 2HB HIS 19 -7.494 -17.253 -7.102
175 HB3 HIS 19 3HB HIS 19 -6.834 -18.886 -7.102
176 HD1 HIS 19 HD1 HIS 19 -9.947 -17.129 -6.864
177 HD2 HIS 19 HD2 HIS 19 -8.417 -20.646 -5.266
178 HE1 HIS 19 HE1 HIS 19 -11.950 -18.460 -6.127
179 H ARG 20 H ARG 20 -4.184 -18.706 -5.694
180 HA ARG 20 HA ARG 20 -4.647 -21.196 -4.209
181 HB2 ARG 20 2HB ARG 20 -2.333 -20.597 -6.049
182 HB3 ARG 20 3HB ARG 20 -2.870 -22.167 -5.466
183 HG2 ARG 20 2HG ARG 20 -4.477 -20.394 -7.292
184 HG3 ARG 20 3HG ARG 20 -3.444 -21.719 -7.833
185 HD2 ARG 20 2HD ARG 20 -5.021 -22.849 -5.853
186 HD3 ARG 20 3HD ARG 20 -6.123 -21.783 -6.723
187 HE ARG 20 HE ARG 20 -5.006 -24.234 -7.665
188 HH11 ARG 20 1HH1 ARG 20 -6.136 -21.096 -8.664
189 HH12 ARG 20 2HH1 ARG 20 -6.540 -21.609 -10.269
190 HH21 ARG 20 1HH2 ARG 20 -5.534 -24.921 -9.775
191 HH22 ARG 20 2HH2 ARG 20 -6.199 -23.784 -10.900
192 H LEU 21 H LEU 21 -2.775 -18.282 -4.245
193 HA LEU 21 HA LEU 21 -0.741 -19.179 -2.443
194 HB2 LEU 21 2HB LEU 21 -1.618 -16.402 -3.222
195 HB3 LEU 21 3HB LEU 21 -0.187 -16.773 -2.261
196 HG LEU 21 HG LEU 21 -0.491 -17.933 -5.003
197 HD11 LEU 21 1HD1 LEU 21 -0.228 -15.112 -4.345
198 HD12 LEU 21 2HD1 LEU 21 -0.569 -15.890 -5.890
199 HD13 LEU 21 3HD1 LEU 21 1.097 -15.714 -5.341
200 HD21 LEU 21 3HD2 LEU 21 2.099 -17.320 -4.687
201 HD22 LEU 21 1HD2 LEU 21 1.394 -18.844 -4.148
202 HD23 LEU 21 2HD2 LEU 21 1.640 -17.531 -2.996
203 H PHE 22 H PHE 22 -3.867 -17.635 -2.126
204 HA PHE 22 HA PHE 22 -3.496 -17.214 0.730
205 HB2 PHE 22 2HB PHE 22 -5.646 -16.486 -1.238
206 HB3 PHE 22 3HB PHE 22 -5.954 -16.409 0.494
207 HD1 PHE 22 HD1 PHE 22 -4.742 -14.814 1.901
208 HD2 PHE 22 HD2 PHE 22 -4.242 -14.892 -2.325
209 HE1 PHE 22 HE1 PHE 22 -3.713 -12.580 1.985
210 HE2 PHE 22 HE2 PHE 22 -3.212 -12.659 -2.248
211 HZ PHE 22 HZ PHE 22 -2.946 -11.500 -0.091
212 H ARG 23 H ARG 23 -4.977 -19.456 -1.453
213 HA ARG 23 HA ARG 23 -6.945 -20.620 0.092
214 HB2 ARG 23 2HB ARG 23 -5.690 -21.198 -2.320
215 HB3 ARG 23 3HB ARG 23 -5.376 -22.616 -1.328
216 HG2 ARG 23 2HG ARG 23 -7.385 -22.958 -2.594
217 HG3 ARG 23 3HG ARG 23 -7.798 -22.800 -0.886
218 HD2 ARG 23 2HD ARG 23 -7.943 -20.212 -1.754
219 HD3 ARG 23 3HD ARG 23 -8.510 -21.105 -3.165
220 HE ARG 23 HE ARG 23 -9.910 -20.711 -0.721
221 HH11 ARG 23 1HH1 ARG 23 -9.407 -22.990 -3.303
222 HH12 ARG 23 2HH1 ARG 23 -10.952 -23.750 -3.109
223 HH21 ARG 23 1HH2 ARG 23 -11.947 -21.702 -0.455
224 HH22 ARG 23 2HH2 ARG 23 -12.397 -23.016 -1.490
225 H ARG 24 H ARG 24 -3.473 -20.935 0.334
226 HA ARG 24 HA ARG 24 -3.279 -23.235 1.892
227 HB2 ARG 24 2HB ARG 24 -1.571 -20.743 1.875
228 HB3 ARG 24 3HB ARG 24 -1.143 -22.215 2.737
229 HG2 ARG 24 2HG ARG 24 -0.910 -23.438 0.730
230 HG3 ARG 24 3HG ARG 24 -1.678 -22.163 -0.218
231 HD2 ARG 24 2HD ARG 24 0.184 -20.769 -0.076
232 HD3 ARG 24 3HD ARG 24 0.840 -21.632 1.314
233 HE ARG 24 HE ARG 24 1.230 -22.265 -1.456
234 HH11 ARG 24 1HH1 ARG 24 1.146 -23.558 1.775
235 HH12 ARG 24 2HH1 ARG 24 2.173 -24.903 1.404
236 HH21 ARG 24 1HH2 ARG 24 2.583 -24.031 -1.958
237 HH22 ARG 24 2HH2 ARG 24 2.991 -25.171 -0.720
Start of MODEL 7
1 H1 TRP 1 H TRP 1 4.510 -0.448 0.958
2 HA TRP 1 HA TRP 1 5.154 -0.257 -1.223
3 HB2 TRP 1 2HB TRP 1 3.833 -2.639 -1.224
4 HB3 TRP 1 3HB TRP 1 2.874 -1.725 -2.385
5 HD1 TRP 1 HD1 TRP 1 3.659 -2.181 -4.765
6 HE1 TRP 1 HE1 TRP 1 5.915 -2.623 -5.922
7 HE3 TRP 1 HE3 TRP 1 6.722 -1.986 -0.676
8 HZ2 TRP 1 HZ2 TRP 1 8.633 -2.857 -5.198
9 HZ3 TRP 1 HZ3 TRP 1 9.137 -2.330 -0.994
10 HH2 TRP 1 HH2 TRP 1 10.071 -2.757 -3.209
11 H TRP 2 H TRP 2 4.873 1.798 -1.808
12 HA TRP 2 HA TRP 2 2.186 2.870 -2.154
13 HB2 TRP 2 2HB TRP 2 3.143 4.736 -1.380
14 HB3 TRP 2 3HB TRP 2 4.717 3.946 -1.386
15 HD1 TRP 2 HD1 TRP 2 2.679 6.533 -3.218
16 HE1 TRP 2 HE1 TRP 2 4.104 7.580 -5.089
17 HE3 TRP 2 HE3 TRP 2 6.650 3.315 -3.111
18 HZ2 TRP 2 HZ2 TRP 2 6.583 7.103 -6.353
19 HZ3 TRP 2 HZ3 TRP 2 8.507 3.680 -4.684
20 HH2 TRP 2 HH2 TRP 2 8.471 5.535 -6.271
21 H TRP 3 H TRP 3 4.886 1.794 -4.034
22 HA TRP 3 HA TRP 3 3.932 3.050 -6.471
23 HB2 TRP 3 2HB TRP 3 6.426 2.284 -5.613
24 HB3 TRP 3 3HB TRP 3 6.005 0.987 -6.727
25 HD1 TRP 3 HD1 TRP 3 5.058 4.696 -7.220
26 HE1 TRP 3 HE1 TRP 3 6.153 5.521 -9.398
27 HE3 TRP 3 HE3 TRP 3 7.806 0.541 -8.371
28 HZ2 TRP 3 HZ2 TRP 3 7.943 4.540 -11.347
29 HZ3 TRP 3 HZ3 TRP 3 9.183 0.566 -10.410
30 HH2 TRP 3 HH2 TRP 3 9.248 2.524 -11.866
31 H LYS 4 H LYS 4 2.382 0.951 -4.958
32 HA LYS 4 HA LYS 4 2.348 -1.491 -6.277
33 HB2 LYS 4 2HB LYS 4 1.035 -0.697 -4.192
34 HB3 LYS 4 3HB LYS 4 -0.178 -0.153 -5.343
35 HG2 LYS 4 2HG LYS 4 0.758 -2.924 -5.684
36 HG3 LYS 4 3HG LYS 4 -0.163 -2.591 -4.216
37 HD2 LYS 4 2HD LYS 4 -1.417 -1.333 -6.473
38 HD3 LYS 4 3HD LYS 4 -1.158 -3.048 -6.803
39 HE2 LYS 4 2HE LYS 4 -2.663 -3.699 -5.259
40 HE3 LYS 4 3HE LYS 4 -2.185 -2.443 -4.118
41 HZ1 LYS 4 3HZ LYS 4 -4.328 -2.457 -6.024
42 HZ2 LYS 4 1HZ LYS 4 -3.382 -1.057 -6.121
43 HZ3 LYS 4 2HZ LYS 4 -4.108 -1.488 -4.655
44 H TYR 5 H TYR 5 1.319 1.606 -7.367
45 HA TYR 5 HA TYR 5 -0.638 1.015 -9.224
46 HB2 TYR 5 2HB TYR 5 1.589 3.023 -9.609
47 HB3 TYR 5 3HB TYR 5 0.003 3.050 -10.371
48 HD1 TYR 5 HD2 TYR 5 -1.811 2.521 -8.157
49 HD2 TYR 5 HD1 TYR 5 1.714 4.901 -8.254
50 HE1 TYR 5 HE2 TYR 5 -2.684 3.879 -6.302
51 HE2 TYR 5 HE1 TYR 5 0.852 6.265 -6.398
52 HH TYR 5 HH TYR 5 -1.425 5.403 -4.387
53 H GLU 6 H GLU 6 2.872 0.752 -9.540
54 HA GLU 6 HA GLU 6 2.844 0.042 -12.295
55 HB2 GLU 6 2HB GLU 6 4.804 0.967 -10.936
56 HB3 GLU 6 3HB GLU 6 5.014 -0.669 -10.330
57 HG2 GLU 6 2HG GLU 6 5.277 -1.454 -12.659
58 HG3 GLU 6 3HG GLU 6 5.186 0.222 -13.198
59 H ILE 7 H ILE 7 2.647 -1.752 -9.296
60 HA ILE 7 HA ILE 7 3.142 -4.324 -10.369
61 HB ILE 7 HB ILE 7 1.866 -3.332 -7.851
62 HG12 ILE 7 2HG1 ILE 7 4.342 -3.460 -8.102
63 HG13 ILE 7 3HG1 ILE 7 3.725 -4.478 -6.805
64 HG21 ILE 7 1HG2 ILE 7 0.464 -5.126 -8.060
65 HG22 ILE 7 2HG2 ILE 7 1.608 -6.047 -9.033
66 HG23 ILE 7 3HG2 ILE 7 1.846 -5.906 -7.292
67 HD11 ILE 7 3HD1 ILE 7 4.599 -5.370 -9.540
68 HD12 ILE 7 1HD1 ILE 7 5.421 -5.663 -8.007
69 HD13 ILE 7 2HD1 ILE 7 3.860 -6.418 -8.330
70 H THR 8 H THR 8 0.249 -2.364 -10.039
71 HA THR 8 HA THR 8 -1.788 -4.138 -10.374
72 HB THR 8 HB THR 8 -3.101 -2.411 -11.352
73 HG1 THR 8 HG1 THR 8 -0.601 -1.342 -12.175
74 HG21 THR 8 3HG2 THR 8 -2.753 -0.591 -9.863
75 HG22 THR 8 1HG2 THR 8 -1.031 -0.941 -9.728
76 HG23 THR 8 2HG2 THR 8 -2.212 -2.039 -9.014
77 H THR 9 H THR 9 0.558 -3.145 -12.767
78 HA THR 9 HA THR 9 -0.686 -3.968 -15.109
79 HB THR 9 HB THR 9 1.587 -4.291 -16.039
80 HG1 THR 9 HG1 THR 9 3.367 -3.936 -14.626
81 HG21 THR 9 3HG2 THR 9 2.266 -2.022 -15.888
82 HG22 THR 9 1HG2 THR 9 1.520 -1.830 -14.302
83 HG23 THR 9 2HG2 THR 9 0.509 -2.020 -15.735
84 H ILE 10 H ILE 10 1.750 -5.862 -13.312
85 HA ILE 10 HA ILE 10 0.959 -8.287 -14.641
86 HB ILE 10 HB ILE 10 2.723 -9.357 -13.516
87 HG12 ILE 10 2HG1 ILE 10 1.947 -8.332 -11.252
88 HG13 ILE 10 3HG1 ILE 10 3.643 -8.756 -11.460
89 HG21 ILE 10 1HG2 ILE 10 4.624 -7.670 -13.665
90 HG22 ILE 10 2HG2 ILE 10 3.653 -7.912 -15.115
91 HG23 ILE 10 3HG2 ILE 10 3.391 -6.490 -14.106
92 HD11 ILE 10 3HD1 ILE 10 2.954 -6.014 -12.231
93 HD12 ILE 10 1HD1 ILE 10 2.752 -6.387 -10.519
94 HD13 ILE 10 2HD1 ILE 10 4.317 -6.629 -11.296
95 H HIS 11 H HIS 11 0.157 -6.668 -11.698
96 HA HIS 11 HA HIS 11 -0.656 -8.754 -10.064
97 HB2 HIS 11 2HB HIS 11 -0.568 -6.392 -9.351
98 HB3 HIS 11 3HB HIS 11 -1.971 -6.043 -10.357
99 HD1 HIS 11 HD1 HIS 11 -1.588 -9.020 -8.050
100 HD2 HIS 11 HD2 HIS 11 -3.811 -5.528 -8.402
101 HE1 HIS 11 HE1 HIS 11 -3.334 -9.150 -6.245
102 H ASN 12 H ASN 12 -2.016 -7.652 -13.011
103 HA ASN 12 HA ASN 12 -4.673 -8.619 -12.579
104 HB2 ASN 12 2HB ASN 12 -3.143 -7.464 -14.838
105 HB3 ASN 12 3HB ASN 12 -4.486 -8.517 -15.272
106 HD21 ASN 12 1HD2 ASN 12 -3.624 -5.412 -14.633
107 HD22 ASN 12 2HD2 ASN 12 -5.173 -4.761 -14.230
108 H LEU 13 H LEU 13 -1.691 -10.072 -13.386
109 HA LEU 13 HA LEU 13 -3.086 -12.544 -14.179
110 HB2 LEU 13 2HB LEU 13 -1.337 -13.116 -15.616
111 HB3 LEU 13 3HB LEU 13 -1.626 -11.404 -15.917
112 HG LEU 13 HG LEU 13 0.375 -11.503 -13.956
113 HD11 LEU 13 1HD1 LEU 13 2.093 -12.886 -14.954
114 HD12 LEU 13 2HD1 LEU 13 0.971 -13.419 -16.206
115 HD13 LEU 13 3HD1 LEU 13 0.695 -13.873 -14.524
116 HD21 LEU 13 3HD2 LEU 13 1.683 -10.388 -15.589
117 HD22 LEU 13 1HD2 LEU 13 0.010 -9.901 -15.864
118 HD23 LEU 13 2HD2 LEU 13 0.762 -11.102 -16.914
119 H PHE 14 H PHE 14 -0.944 -11.029 -11.985
120 HA PHE 14 HA PHE 14 0.367 -13.397 -11.050
121 HB2 PHE 14 2HB PHE 14 0.450 -10.552 -10.487
122 HB3 PHE 14 3HB PHE 14 0.483 -11.499 -9.003
123 HD1 PHE 14 HD1 PHE 14 2.295 -13.123 -8.614
124 HD2 PHE 14 HD2 PHE 14 2.300 -10.510 -11.974
125 HE1 PHE 14 HE1 PHE 14 4.693 -13.562 -8.947
126 HE2 PHE 14 HE2 PHE 14 4.698 -10.946 -12.313
127 HZ PHE 14 HZ PHE 14 5.897 -12.474 -10.799
128 H ARG 15 H ARG 15 -2.725 -12.106 -10.630
129 HA ARG 15 HA ARG 15 -3.184 -13.071 -7.960
130 HB2 ARG 15 2HB ARG 15 -5.421 -12.319 -8.234
131 HB3 ARG 15 3HB ARG 15 -4.400 -11.135 -9.038
132 HG2 ARG 15 2HG ARG 15 -5.855 -11.349 -10.720
133 HG3 ARG 15 3HG ARG 15 -4.958 -12.824 -11.087
134 HD2 ARG 15 2HD ARG 15 -7.275 -13.379 -11.064
135 HD3 ARG 15 3HD ARG 15 -6.550 -14.060 -9.608
136 HE ARG 15 HE ARG 15 -7.517 -11.583 -8.885
137 HH11 ARG 15 1HH1 ARG 15 -8.825 -14.540 -10.177
138 HH12 ARG 15 2HH1 ARG 15 -10.378 -14.328 -9.438
139 HH21 ARG 15 1HH2 ARG 15 -9.558 -11.293 -7.908
140 HH22 ARG 15 2HH2 ARG 15 -10.794 -12.481 -8.149
141 H LYS 16 H LYS 16 -3.334 -14.374 -11.146
142 HA LYS 16 HA LYS 16 -5.230 -16.391 -10.866
143 HB2 LYS 16 2HB LYS 16 -4.242 -17.422 -12.754
144 HB3 LYS 16 3HB LYS 16 -3.987 -15.695 -12.968
145 HG2 LYS 16 2HG LYS 16 -1.883 -16.304 -13.426
146 HG3 LYS 16 3HG LYS 16 -1.715 -16.381 -11.670
147 HD2 LYS 16 2HD LYS 16 -0.881 -18.436 -12.325
148 HD3 LYS 16 3HD LYS 16 -2.565 -18.824 -11.964
149 HE2 LYS 16 2HE LYS 16 -2.965 -19.424 -14.073
150 HE3 LYS 16 3HE LYS 16 -2.226 -17.953 -14.705
151 HZ1 LYS 16 3HZ LYS 16 -1.222 -20.377 -15.097
152 HZ2 LYS 16 1HZ LYS 16 -0.394 -19.962 -13.682
153 HZ3 LYS 16 2HZ LYS 16 -0.269 -18.980 -15.053
154 H LEU 17 H LEU 17 -2.063 -16.106 -9.512
155 HA LEU 17 HA LEU 17 -2.010 -18.926 -8.741
156 HB2 LEU 17 2HB LEU 17 0.244 -18.667 -8.256
157 HB3 LEU 17 3HB LEU 17 0.001 -17.638 -9.666
158 HG LEU 17 HG LEU 17 -0.324 -15.796 -7.766
159 HD11 LEU 17 1HD1 LEU 17 0.016 -16.841 -5.778
160 HD12 LEU 17 2HD1 LEU 17 1.688 -16.430 -6.157
161 HD13 LEU 17 3HD1 LEU 17 1.088 -18.059 -6.470
162 HD21 LEU 17 3HD2 LEU 17 1.720 -16.588 -9.555
163 HD22 LEU 17 1HD2 LEU 17 2.491 -16.126 -8.037
164 HD23 LEU 17 2HD2 LEU 17 1.425 -14.991 -8.865
165 H THR 18 H THR 18 -2.381 -15.717 -7.397
166 HA THR 18 HA THR 18 -2.045 -16.290 -4.683
167 HB THR 18 HB THR 18 -3.339 -14.286 -4.219
168 HG1 THR 18 HG1 THR 18 -4.687 -13.411 -5.675
169 HG21 THR 18 3HG2 THR 18 -2.179 -12.708 -5.881
170 HG22 THR 18 1HG2 THR 18 -1.469 -14.168 -6.569
171 HG23 THR 18 2HG2 THR 18 -1.157 -13.744 -4.886
172 H HIS 19 H HIS 19 -4.847 -16.659 -6.787
173 HA HIS 19 HA HIS 19 -6.761 -17.196 -4.799
174 HB2 HIS 19 2HB HIS 19 -6.876 -16.869 -7.479
175 HB3 HIS 19 3HB HIS 19 -7.038 -18.620 -7.381
176 HD1 HIS 19 HD1 HIS 19 -9.412 -19.266 -7.424
177 HD2 HIS 19 HD2 HIS 19 -8.834 -15.696 -5.379
178 HE1 HIS 19 HE1 HIS 19 -11.695 -18.563 -6.639
179 H ARG 20 H ARG 20 -4.185 -19.089 -6.063
180 HA ARG 20 HA ARG 20 -5.302 -21.532 -4.871
181 HB2 ARG 20 2HB ARG 20 -2.958 -21.224 -6.756
182 HB3 ARG 20 3HB ARG 20 -3.617 -22.745 -6.168
183 HG2 ARG 20 2HG ARG 20 -5.393 -22.680 -7.572
184 HG3 ARG 20 3HG ARG 20 -5.489 -20.918 -7.546
185 HD2 ARG 20 2HD ARG 20 -3.296 -20.971 -8.869
186 HD3 ARG 20 3HD ARG 20 -3.652 -22.677 -9.140
187 HE ARG 20 HE ARG 20 -5.909 -21.172 -9.835
188 HH11 ARG 20 1HH1 ARG 20 -2.645 -21.727 -10.910
189 HH12 ARG 20 2HH1 ARG 20 -2.999 -21.399 -12.574
190 HH21 ARG 20 1HH2 ARG 20 -6.388 -20.738 -12.023
191 HH22 ARG 20 2HH2 ARG 20 -5.128 -20.836 -13.206
192 H LEU 21 H LEU 21 -3.014 -19.075 -4.376
193 HA LEU 21 HA LEU 21 -1.278 -20.690 -2.691
194 HB2 LEU 21 2HB LEU 21 0.031 -19.173 -3.779
195 HB3 LEU 21 3HB LEU 21 -1.226 -17.938 -3.795
196 HG LEU 21 HG LEU 21 -0.779 -17.471 -1.424
197 HD11 LEU 21 1HD1 LEU 21 1.772 -18.752 -1.206
198 HD12 LEU 21 2HD1 LEU 21 0.522 -19.958 -1.507
199 HD13 LEU 21 3HD1 LEU 21 0.373 -18.859 -0.137
200 HD21 LEU 21 3HD2 LEU 21 0.366 -16.196 -3.175
201 HD22 LEU 21 1HD2 LEU 21 1.686 -17.366 -3.160
202 HD23 LEU 21 2HD2 LEU 21 1.371 -16.375 -1.736
203 H PHE 22 H PHE 22 -3.780 -18.247 -2.403
204 HA PHE 22 HA PHE 22 -3.445 -18.036 0.469
205 HB2 PHE 22 2HB PHE 22 -5.226 -16.726 -1.557
206 HB3 PHE 22 3HB PHE 22 -5.628 -16.632 0.155
207 HD1 PHE 22 HD1 PHE 22 -4.096 -15.500 1.723
208 HD2 PHE 22 HD2 PHE 22 -3.450 -15.457 -2.484
209 HE1 PHE 22 HE1 PHE 22 -2.545 -13.608 1.984
210 HE2 PHE 22 HE2 PHE 22 -1.897 -13.566 -2.230
211 HZ PHE 22 HZ PHE 22 -1.442 -12.639 0.006
212 H ARG 23 H ARG 23 -5.393 -19.773 -1.808
213 HA ARG 23 HA ARG 23 -7.223 -20.667 0.295
214 HB2 ARG 23 2HB ARG 23 -7.274 -21.087 -2.699
215 HB3 ARG 23 3HB ARG 23 -8.474 -21.724 -1.582
216 HG2 ARG 23 2HG ARG 23 -9.250 -19.560 -1.032
217 HG3 ARG 23 3HG ARG 23 -7.875 -18.791 -1.828
218 HD2 ARG 23 2HD ARG 23 -8.895 -18.826 -3.810
219 HD3 ARG 23 3HD ARG 23 -9.328 -20.526 -3.633
220 HE ARG 23 HE ARG 23 -11.428 -19.875 -3.025
221 HH11 ARG 23 1HH1 ARG 23 -9.262 -17.180 -2.621
222 HH12 ARG 23 2HH1 ARG 23 -10.523 -16.056 -2.235
223 HH21 ARG 23 1HH2 ARG 23 -13.097 -18.405 -2.518
224 HH22 ARG 23 2HH2 ARG 23 -12.704 -16.755 -2.175
225 H ARG 24 H ARG 24 -4.649 -21.784 -1.780
226 HA ARG 24 HA ARG 24 -3.455 -23.718 -1.852
227 HB2 ARG 24 2HB ARG 24 -4.255 -23.380 0.912
228 HB3 ARG 24 3HB ARG 24 -4.103 -25.083 0.501
229 HG2 ARG 24 2HG ARG 24 -1.904 -24.946 0.668
230 HG3 ARG 24 3HG ARG 24 -1.867 -23.694 -0.576
231 HD2 ARG 24 2HD ARG 24 -0.984 -22.476 1.116
232 HD3 ARG 24 3HD ARG 24 -2.686 -22.214 1.494
233 HE ARG 24 HE ARG 24 -1.629 -24.536 2.780
234 HH11 ARG 24 1HH1 ARG 24 -1.851 -21.067 2.967
235 HH12 ARG 24 2HH1 ARG 24 -1.650 -21.016 4.687
236 HH21 ARG 24 1HH2 ARG 24 -1.363 -24.483 5.045
237 HH22 ARG 24 2HH2 ARG 24 -1.371 -22.960 5.868
Start of MODEL 8
1 H1 TRP 1 H TRP 1 2.493 -0.267 0.889
2 HA TRP 1 HA TRP 1 3.907 -0.440 -0.921
3 HB2 TRP 1 2HB TRP 1 2.182 -2.456 -1.491
4 HB3 TRP 1 3HB TRP 1 1.867 -1.374 -2.844
5 HD1 TRP 1 HD1 TRP 1 3.171 -2.278 -4.849
6 HE1 TRP 1 HE1 TRP 1 5.563 -3.134 -5.261
7 HE3 TRP 1 HE3 TRP 1 4.931 -2.112 -0.052
8 HZ2 TRP 1 HZ2 TRP 1 7.888 -3.669 -3.753
9 HZ3 TRP 1 HZ3 TRP 1 7.250 -2.814 0.379
10 HH2 TRP 1 HH2 TRP 1 8.696 -3.576 -1.435
11 H TRP 2 H TRP 2 4.345 1.578 -1.517
12 HA TRP 2 HA TRP 2 2.273 3.333 -2.515
13 HB2 TRP 2 2HB TRP 2 3.625 4.998 -1.839
14 HB3 TRP 2 3HB TRP 2 4.597 3.738 -1.085
15 HD1 TRP 2 HD1 TRP 2 6.988 3.326 -2.043
16 HE1 TRP 2 HE1 TRP 2 8.390 4.434 -3.895
17 HE3 TRP 2 HE3 TRP 2 3.341 6.159 -4.234
18 HZ2 TRP 2 HZ2 TRP 2 8.001 6.267 -6.006
19 HZ3 TRP 2 HZ3 TRP 2 3.938 7.563 -6.165
20 HH2 TRP 2 HH2 TRP 2 6.221 7.615 -7.031
21 H TRP 3 H TRP 3 4.978 1.508 -3.772
22 HA TRP 3 HA TRP 3 4.752 2.736 -6.398
23 HB2 TRP 3 2HB TRP 3 6.868 1.640 -5.029
24 HB3 TRP 3 3HB TRP 3 6.449 0.354 -6.157
25 HD1 TRP 3 HD1 TRP 3 6.298 4.135 -6.934
26 HE1 TRP 3 HE1 TRP 3 7.901 4.614 -8.890
27 HE3 TRP 3 HE3 TRP 3 8.382 -0.507 -7.431
28 HZ2 TRP 3 HZ2 TRP 3 9.797 3.210 -10.439
29 HZ3 TRP 3 HZ3 TRP 3 10.082 -0.855 -9.175
30 HH2 TRP 3 HH2 TRP 3 10.773 0.965 -10.647
31 H LYS 4 H LYS 4 2.536 1.158 -5.248
32 HA LYS 4 HA LYS 4 2.354 -1.382 -6.427
33 HB2 LYS 4 2HB LYS 4 0.853 -0.450 -4.635
34 HB3 LYS 4 3HB LYS 4 0.056 0.501 -5.882
35 HG2 LYS 4 2HG LYS 4 -1.073 -1.267 -6.697
36 HG3 LYS 4 3HG LYS 4 0.263 -2.386 -6.418
37 HD2 LYS 4 2HD LYS 4 -1.339 -3.110 -4.902
38 HD3 LYS 4 3HD LYS 4 -0.312 -2.069 -3.913
39 HE2 LYS 4 2HE LYS 4 -2.607 -1.567 -3.426
40 HE3 LYS 4 3HE LYS 4 -1.911 -0.210 -4.311
41 HZ1 LYS 4 3HZ LYS 4 -3.057 -0.795 -6.242
42 HZ2 LYS 4 1HZ LYS 4 -4.199 -1.007 -5.012
43 HZ3 LYS 4 2HZ LYS 4 -3.421 -2.350 -5.684
44 H TYR 5 H TYR 5 2.249 1.725 -7.817
45 HA TYR 5 HA TYR 5 0.529 1.358 -9.986
46 HB2 TYR 5 2HB TYR 5 3.083 2.975 -10.009
47 HB3 TYR 5 3HB TYR 5 1.663 3.217 -11.021
48 HD1 TYR 5 HD2 TYR 5 -0.509 3.008 -9.031
49 HD2 TYR 5 HD1 TYR 5 3.268 4.951 -8.784
50 HE1 TYR 5 HE2 TYR 5 -1.429 4.573 -7.372
51 HE2 TYR 5 HE1 TYR 5 2.359 6.521 -7.124
52 HH TYR 5 HH TYR 5 -0.033 7.416 -6.553
53 H GLU 6 H GLU 6 3.788 0.250 -9.436
54 HA GLU 6 HA GLU 6 4.116 -0.603 -12.198
55 HB2 GLU 6 2HB GLU 6 6.027 -1.344 -10.021
56 HB3 GLU 6 3HB GLU 6 6.349 -0.977 -11.710
57 HG2 GLU 6 2HG GLU 6 5.571 1.023 -9.599
58 HG3 GLU 6 3HG GLU 6 7.199 0.756 -10.220
59 H ILE 7 H ILE 7 2.455 -1.768 -9.664
60 HA ILE 7 HA ILE 7 3.146 -4.580 -10.135
61 HB ILE 7 HB ILE 7 1.687 -3.175 -7.925
62 HG12 ILE 7 2HG1 ILE 7 4.144 -3.527 -7.804
63 HG13 ILE 7 3HG1 ILE 7 3.273 -4.359 -6.520
64 HG21 ILE 7 1HG2 ILE 7 0.155 -4.863 -8.159
65 HG22 ILE 7 2HG2 ILE 7 1.333 -5.988 -8.833
66 HG23 ILE 7 3HG2 ILE 7 1.331 -5.644 -7.103
67 HD11 ILE 7 3HD1 ILE 7 3.425 -6.445 -7.851
68 HD12 ILE 7 1HD1 ILE 7 4.434 -5.580 -9.010
69 HD13 ILE 7 2HD1 ILE 7 4.986 -5.797 -7.349
70 H THR 8 H THR 8 0.467 -2.296 -10.286
71 HA THR 8 HA THR 8 -1.672 -3.931 -10.792
72 HB THR 8 HB THR 8 -2.740 -2.120 -11.905
73 HG1 THR 8 HG1 THR 8 -1.673 -0.927 -13.281
74 HG21 THR 8 3HG2 THR 8 -2.403 -0.308 -10.398
75 HG22 THR 8 1HG2 THR 8 -0.741 -0.801 -10.073
76 HG23 THR 8 2HG2 THR 8 -2.084 -1.786 -9.491
77 H THR 9 H THR 9 1.000 -3.173 -12.904
78 HA THR 9 HA THR 9 -0.032 -3.892 -15.377
79 HB THR 9 HB THR 9 2.106 -2.940 -15.433
80 HG1 THR 9 HG1 THR 9 1.940 -4.670 -16.924
81 HG21 THR 9 3HG2 THR 9 2.504 -4.340 -13.025
82 HG22 THR 9 1HG2 THR 9 3.584 -3.170 -13.782
83 HG23 THR 9 2HG2 THR 9 3.762 -4.890 -14.131
84 H ILE 10 H ILE 10 1.705 -5.977 -13.062
85 HA ILE 10 HA ILE 10 0.900 -8.339 -14.560
86 HB ILE 10 HB ILE 10 2.411 -9.578 -13.258
87 HG12 ILE 10 2HG1 ILE 10 1.520 -8.421 -11.093
88 HG13 ILE 10 3HG1 ILE 10 3.156 -9.070 -11.116
89 HG21 ILE 10 1HG2 ILE 10 4.495 -8.114 -13.209
90 HG22 ILE 10 2HG2 ILE 10 3.659 -8.268 -14.754
91 HG23 ILE 10 3HG2 ILE 10 3.454 -6.811 -13.782
92 HD11 ILE 10 3HD1 ILE 10 2.523 -6.607 -10.258
93 HD12 ILE 10 1HD1 ILE 10 4.098 -7.043 -10.920
94 HD13 ILE 10 2HD1 ILE 10 2.893 -6.264 -11.947
95 H HIS 11 H HIS 11 -0.035 -6.561 -11.762
96 HA HIS 11 HA HIS 11 -1.228 -8.503 -10.180
97 HB2 HIS 11 2HB HIS 11 -0.959 -6.126 -9.531
98 HB3 HIS 11 3HB HIS 11 -2.235 -5.690 -10.664
99 HD1 HIS 11 HD1 HIS 11 -2.330 -8.614 -8.263
100 HD2 HIS 11 HD2 HIS 11 -4.167 -4.938 -8.878
101 HE1 HIS 11 HE1 HIS 11 -4.224 -8.524 -6.611
102 H ASN 12 H ASN 12 -2.138 -7.368 -13.281
103 HA ASN 12 HA ASN 12 -4.915 -8.044 -13.117
104 HB2 ASN 12 2HB ASN 12 -3.039 -7.201 -15.279
105 HB3 ASN 12 3HB ASN 12 -4.542 -7.991 -15.749
106 HD21 ASN 12 1HD2 ASN 12 -3.380 -5.147 -15.816
107 HD22 ASN 12 2HD2 ASN 12 -4.689 -4.174 -15.245
108 H LEU 13 H LEU 13 -2.032 -9.811 -13.568
109 HA LEU 13 HA LEU 13 -3.576 -12.145 -14.492
110 HB2 LEU 13 2HB LEU 13 -1.768 -12.911 -15.728
111 HB3 LEU 13 3HB LEU 13 -1.769 -11.173 -16.023
112 HG LEU 13 HG LEU 13 -0.064 -11.441 -13.875
113 HD11 LEU 13 1HD1 LEU 13 0.158 -13.830 -15.673
114 HD12 LEU 13 2HD1 LEU 13 0.156 -13.764 -13.911
115 HD13 LEU 13 3HD1 LEU 13 1.557 -13.186 -14.813
116 HD21 LEU 13 3HD2 LEU 13 0.038 -10.149 -16.123
117 HD22 LEU 13 1HD2 LEU 13 0.945 -11.552 -16.687
118 HD23 LEU 13 2HD2 LEU 13 1.540 -10.610 -15.320
119 H PHE 14 H PHE 14 -1.543 -10.813 -12.077
120 HA PHE 14 HA PHE 14 -0.661 -13.301 -10.955
121 HB2 PHE 14 2HB PHE 14 -0.270 -10.462 -10.430
122 HB3 PHE 14 3HB PHE 14 -0.458 -11.394 -8.948
123 HD1 PHE 14 HD2 PHE 14 1.113 -13.224 -8.432
124 HD2 PHE 14 HD1 PHE 14 1.677 -10.647 -11.772
125 HE1 PHE 14 HE2 PHE 14 3.460 -13.946 -8.588
126 HE2 PHE 14 HE1 PHE 14 4.025 -11.365 -11.934
127 HZ PHE 14 HZ PHE 14 4.919 -13.016 -10.340
128 H ARG 15 H ARG 15 -3.444 -11.267 -10.636
129 HA ARG 15 HA ARG 15 -4.370 -11.969 -8.110
130 HB2 ARG 15 2HB ARG 15 -6.635 -11.445 -9.005
131 HB3 ARG 15 3HB ARG 15 -5.435 -10.208 -9.356
132 HG2 ARG 15 2HG ARG 15 -6.064 -10.319 -11.475
133 HG3 ARG 15 3HG ARG 15 -5.345 -11.929 -11.541
134 HD2 ARG 15 2HD ARG 15 -7.553 -12.799 -10.655
135 HD3 ARG 15 3HD ARG 15 -8.206 -11.192 -10.975
136 HE ARG 15 HE ARG 15 -6.922 -12.208 -13.280
137 HH11 ARG 15 1HH1 ARG 15 -9.803 -12.583 -11.363
138 HH12 ARG 15 2HH1 ARG 15 -10.769 -13.141 -12.688
139 HH21 ARG 15 1HH2 ARG 15 -8.183 -12.942 -15.033
140 HH22 ARG 15 2HH2 ARG 15 -9.847 -13.346 -14.775
141 H LYS 16 H LYS 16 -4.281 -13.801 -11.048
142 HA LYS 16 HA LYS 16 -6.238 -15.744 -10.295
143 HB2 LYS 16 2HB LYS 16 -5.617 -15.301 -12.649
144 HB3 LYS 16 3HB LYS 16 -4.013 -15.949 -12.333
145 HG2 LYS 16 2HG LYS 16 -5.844 -17.906 -11.483
146 HG3 LYS 16 3HG LYS 16 -6.409 -17.326 -13.052
147 HD2 LYS 16 2HD LYS 16 -4.309 -17.830 -14.074
148 HD3 LYS 16 3HD LYS 16 -3.567 -18.171 -12.509
149 HE2 LYS 16 2HE LYS 16 -5.733 -19.870 -12.561
150 HE3 LYS 16 3HE LYS 16 -5.178 -19.882 -14.234
151 HZ1 LYS 16 3HZ LYS 16 -4.166 -21.459 -12.370
152 HZ2 LYS 16 1HZ LYS 16 -3.128 -20.136 -12.184
153 HZ3 LYS 16 2HZ LYS 16 -3.258 -20.904 -13.686
154 H LEU 17 H LEU 17 -2.861 -15.291 -9.678
155 HA LEU 17 HA LEU 17 -2.435 -18.025 -8.823
156 HB2 LEU 17 2HB LEU 17 -0.616 -16.867 -9.901
157 HB3 LEU 17 3HB LEU 17 -0.687 -15.573 -8.707
158 HG LEU 17 HG LEU 17 -0.197 -17.649 -7.079
159 HD11 LEU 17 1HD1 LEU 17 1.799 -18.660 -8.699
160 HD12 LEU 17 2HD1 LEU 17 0.388 -18.603 -9.754
161 HD13 LEU 17 3HD1 LEU 17 0.313 -19.485 -8.229
162 HD21 LEU 17 3HD2 LEU 17 2.149 -16.516 -8.517
163 HD22 LEU 17 1HD2 LEU 17 1.869 -16.713 -6.787
164 HD23 LEU 17 2HD2 LEU 17 1.066 -15.413 -7.668
165 H THR 18 H THR 18 -3.068 -14.892 -7.399
166 HA THR 18 HA THR 18 -2.370 -15.368 -4.753
167 HB THR 18 HB THR 18 -3.940 -13.621 -4.130
168 HG1 THR 18 HG1 THR 18 -4.893 -13.392 -6.760
169 HG21 THR 18 3HG2 THR 18 -3.279 -11.885 -5.902
170 HG22 THR 18 1HG2 THR 18 -2.407 -13.205 -6.681
171 HG23 THR 18 2HG2 THR 18 -1.979 -12.711 -5.043
172 H HIS 19 H HIS 19 -5.282 -16.267 -6.520
173 HA HIS 19 HA HIS 19 -6.813 -17.116 -4.312
174 HB2 HIS 19 2HB HIS 19 -7.483 -16.728 -6.812
175 HB3 HIS 19 3HB HIS 19 -7.053 -18.425 -6.999
176 HD1 HIS 19 HD1 HIS 19 -9.176 -16.458 -4.513
177 HD2 HIS 19 HD2 HIS 19 -9.245 -19.965 -6.739
178 HE1 HIS 19 HE1 HIS 19 -11.381 -17.546 -3.985
179 H ARG 20 H ARG 20 -4.052 -18.453 -5.771
180 HA ARG 20 HA ARG 20 -4.592 -21.081 -4.558
181 HB2 ARG 20 2HB ARG 20 -2.584 -20.380 -6.707
182 HB3 ARG 20 3HB ARG 20 -2.909 -21.989 -6.077
183 HG2 ARG 20 2HG ARG 20 -4.707 -22.262 -7.375
184 HG3 ARG 20 3HG ARG 20 -5.280 -20.617 -7.092
185 HD2 ARG 20 2HD ARG 20 -4.743 -20.344 -9.265
186 HD3 ARG 20 3HD ARG 20 -3.120 -20.110 -8.617
187 HE ARG 20 HE ARG 20 -2.491 -22.105 -9.556
188 HH11 ARG 20 1HH1 ARG 20 -5.964 -21.870 -9.564
189 HH12 ARG 20 2HH1 ARG 20 -6.187 -23.277 -10.551
190 HH21 ARG 20 1HH2 ARG 20 -2.771 -23.959 -10.855
191 HH22 ARG 20 2HH2 ARG 20 -4.370 -24.465 -11.283
192 H LEU 21 H LEU 21 -2.707 -18.256 -4.344
193 HA LEU 21 HA LEU 21 -0.548 -19.539 -2.870
194 HB2 LEU 21 2HB LEU 21 0.379 -17.886 -4.140
195 HB3 LEU 21 3HB LEU 21 -1.041 -16.850 -4.021
196 HG LEU 21 HG LEU 21 -0.386 -16.240 -1.732
197 HD11 LEU 21 1HD1 LEU 21 2.319 -17.052 -1.712
198 HD12 LEU 21 2HD1 LEU 21 1.340 -18.487 -2.018
199 HD13 LEU 21 3HD1 LEU 21 1.033 -17.499 -0.590
200 HD21 LEU 21 3HD2 LEU 21 0.519 -15.177 -3.977
201 HD22 LEU 21 1HD2 LEU 21 2.061 -15.755 -3.346
202 HD23 LEU 21 2HD2 LEU 21 1.087 -14.631 -2.399
203 H PHE 22 H PHE 22 -3.338 -17.484 -2.322
204 HA PHE 22 HA PHE 22 -2.733 -16.880 0.396
205 HB2 PHE 22 2HB PHE 22 -5.041 -16.499 -1.428
206 HB3 PHE 22 3HB PHE 22 -5.399 -16.514 0.295
207 HD1 PHE 22 HD2 PHE 22 -3.666 -14.753 -2.404
208 HD2 PHE 22 HD1 PHE 22 -4.630 -14.753 1.742
209 HE1 PHE 22 HE2 PHE 22 -2.956 -12.403 -2.242
210 HE2 PHE 22 HE1 PHE 22 -3.922 -12.402 1.910
211 HZ PHE 22 HZ PHE 22 -3.083 -11.224 -0.084
212 H ARG 23 H ARG 23 -5.567 -18.693 -0.753
213 HA ARG 23 HA ARG 23 -5.474 -20.306 1.672
214 HB2 ARG 23 2HB ARG 23 -7.699 -21.125 0.902
215 HB3 ARG 23 3HB ARG 23 -7.625 -19.382 1.121
216 HG2 ARG 23 2HG ARG 23 -8.391 -19.121 -0.935
217 HG3 ARG 23 3HG ARG 23 -6.927 -19.886 -1.557
218 HD2 ARG 23 2HD ARG 23 -8.474 -21.303 -2.440
219 HD3 ARG 23 3HD ARG 23 -8.242 -22.085 -0.876
220 HE ARG 23 HE ARG 23 -10.285 -20.246 -0.550
221 HH11 ARG 23 1HH1 ARG 23 -9.676 -23.107 -2.439
222 HH12 ARG 23 2HH1 ARG 23 -11.344 -23.571 -2.512
223 HH21 ARG 23 1HH2 ARG 23 -12.484 -20.847 -0.640
224 HH22 ARG 23 2HH2 ARG 23 -12.940 -22.285 -1.490
225 H ARG 24 H ARG 24 -3.366 -20.886 0.024
226 HA ARG 24 HA ARG 24 -3.666 -22.831 -1.910
227 HB2 ARG 24 2HB ARG 24 -1.384 -23.474 -1.461
228 HB3 ARG 24 3HB ARG 24 -1.525 -21.729 -1.297
229 HG2 ARG 24 2HG ARG 24 -0.306 -22.164 0.561
230 HG3 ARG 24 3HG ARG 24 -1.920 -22.377 1.242
231 HD2 ARG 24 2HD ARG 24 -1.500 -24.509 1.709
232 HD3 ARG 24 3HD ARG 24 -1.024 -24.825 0.041
233 HE ARG 24 HE ARG 24 1.116 -23.545 1.223
234 HH11 ARG 24 1HH1 ARG 24 -0.679 -26.488 1.709
235 HH12 ARG 24 2HH1 ARG 24 0.669 -27.356 2.364
236 HH21 ARG 24 1HH2 ARG 24 2.899 -24.678 2.084
237 HH22 ARG 24 2HH2 ARG 24 2.704 -26.326 2.577
Start of MODEL 9
1 H1 TRP 1 H TRP 1 2.010 -0.660 1.028
2 HA TRP 1 HA TRP 1 3.254 -0.464 -0.865
3 HB2 TRP 1 2HB TRP 1 1.665 -2.651 -1.252
4 HB3 TRP 1 3HB TRP 1 1.261 -1.676 -2.663
5 HD1 TRP 1 HD1 TRP 1 2.629 -2.519 -4.645
6 HE1 TRP 1 HE1 TRP 1 5.062 -3.262 -5.033
7 HE3 TRP 1 HE3 TRP 1 4.365 -2.149 0.149
8 HZ2 TRP 1 HZ2 TRP 1 7.407 -3.642 -3.509
9 HZ3 TRP 1 HZ3 TRP 1 6.715 -2.721 0.600
10 HH2 TRP 1 HH2 TRP 1 8.203 -3.452 -1.193
11 H TRP 2 H TRP 2 3.451 1.570 -1.542
12 HA TRP 2 HA TRP 2 1.157 2.970 -2.668
13 HB2 TRP 2 2HB TRP 2 2.109 4.742 -1.696
14 HB3 TRP 2 3HB TRP 2 3.470 3.742 -1.198
15 HD1 TRP 2 HD1 TRP 2 2.522 6.485 -3.589
16 HE1 TRP 2 HE1 TRP 2 4.584 7.185 -4.960
17 HE3 TRP 2 HE3 TRP 2 5.695 2.699 -2.272
18 HZ2 TRP 2 HZ2 TRP 2 7.209 6.255 -5.423
19 HZ3 TRP 2 HZ3 TRP 2 7.964 2.677 -3.224
20 HH2 TRP 2 HH2 TRP 2 8.703 4.419 -4.767
21 H TRP 3 H TRP 3 4.071 1.413 -3.676
22 HA TRP 3 HA TRP 3 4.073 2.670 -6.293
23 HB2 TRP 3 2HB TRP 3 6.057 1.576 -4.744
24 HB3 TRP 3 3HB TRP 3 5.763 0.296 -5.917
25 HD1 TRP 3 HD1 TRP 3 5.658 4.087 -6.665
26 HE1 TRP 3 HE1 TRP 3 7.433 4.597 -8.458
27 HE3 TRP 3 HE3 TRP 3 7.805 -0.539 -7.020
28 HZ2 TRP 3 HZ2 TRP 3 9.473 3.220 -9.840
29 HZ3 TRP 3 HZ3 TRP 3 9.663 -0.859 -8.602
30 HH2 TRP 3 HH2 TRP 3 10.477 0.983 -9.982
31 H LYS 4 H LYS 4 1.847 0.893 -5.258
32 HA LYS 4 HA LYS 4 1.813 -1.562 -6.575
33 HB2 LYS 4 2HB LYS 4 0.152 -0.600 -4.861
34 HB3 LYS 4 3HB LYS 4 -0.639 0.154 -6.239
35 HG2 LYS 4 2HG LYS 4 -1.482 -1.800 -7.002
36 HG3 LYS 4 3HG LYS 4 -0.093 -2.741 -6.454
37 HD2 LYS 4 2HD LYS 4 -1.040 -2.103 -4.074
38 HD3 LYS 4 3HD LYS 4 -2.548 -1.929 -4.976
39 HE2 LYS 4 2HE LYS 4 -1.409 -4.324 -5.866
40 HE3 LYS 4 3HE LYS 4 -1.187 -4.319 -4.117
41 HZ1 LYS 4 3HZ LYS 4 -3.492 -4.100 -3.774
42 HZ2 LYS 4 1HZ LYS 4 -3.324 -5.303 -4.953
43 HZ3 LYS 4 2HZ LYS 4 -3.794 -3.741 -5.400
44 H TYR 5 H TYR 5 1.607 1.615 -7.838
45 HA TYR 5 HA TYR 5 0.094 1.233 -10.149
46 HB2 TYR 5 2HB TYR 5 2.525 3.013 -9.952
47 HB3 TYR 5 3HB TYR 5 1.125 3.221 -10.999
48 HD1 TYR 5 HD2 TYR 5 -1.140 2.900 -9.242
49 HD2 TYR 5 HD1 TYR 5 2.594 4.788 -8.473
50 HE1 TYR 5 HE2 TYR 5 -2.211 4.309 -7.535
51 HE2 TYR 5 HE1 TYR 5 1.534 6.202 -6.763
52 HH TYR 5 HH TYR 5 -0.354 6.746 -5.734
53 H GLU 6 H GLU 6 3.314 0.221 -9.361
54 HA GLU 6 HA GLU 6 3.912 -0.462 -12.136
55 HB2 GLU 6 2HB GLU 6 5.707 -1.059 -9.805
56 HB3 GLU 6 3HB GLU 6 6.139 -0.763 -11.483
57 HG2 GLU 6 2HG GLU 6 5.077 1.303 -9.569
58 HG3 GLU 6 3HG GLU 6 6.770 1.088 -10.011
59 H ILE 7 H ILE 7 2.339 -1.840 -9.574
60 HA ILE 7 HA ILE 7 3.174 -4.573 -10.245
61 HB ILE 7 HB ILE 7 1.750 -3.401 -7.878
62 HG12 ILE 7 2HG1 ILE 7 4.229 -3.544 -7.904
63 HG13 ILE 7 3HG1 ILE 7 3.507 -4.521 -6.631
64 HG21 ILE 7 1HG2 ILE 7 0.353 -5.220 -8.238
65 HG22 ILE 7 2HG2 ILE 7 1.659 -6.225 -8.863
66 HG23 ILE 7 3HG2 ILE 7 1.569 -5.869 -7.139
67 HD11 ILE 7 3HD1 ILE 7 3.759 -6.507 -8.092
68 HD12 ILE 7 1HD1 ILE 7 4.621 -5.492 -9.248
69 HD13 ILE 7 2HD1 ILE 7 5.287 -5.752 -7.636
70 H THR 8 H THR 8 0.366 -2.450 -10.117
71 HA THR 8 HA THR 8 -1.696 -4.197 -10.601
72 HB THR 8 HB THR 8 -1.945 -1.736 -10.259
73 HG1 THR 8 HG1 THR 8 -3.851 -1.754 -11.308
74 HG21 THR 8 3HG2 THR 8 -1.643 -0.190 -12.008
75 HG22 THR 8 1HG2 THR 8 -1.477 -1.462 -13.217
76 HG23 THR 8 2HG2 THR 8 -0.193 -1.192 -12.039
77 H THR 9 H THR 9 0.852 -3.242 -12.744
78 HA THR 9 HA THR 9 -0.282 -3.786 -15.230
79 HB THR 9 HB THR 9 1.827 -2.753 -15.283
80 HG1 THR 9 HG1 THR 9 1.502 -4.542 -16.834
81 HG21 THR 9 3HG2 THR 9 2.379 -4.358 -13.041
82 HG22 THR 9 1HG2 THR 9 3.395 -3.097 -13.737
83 HG23 THR 9 2HG2 THR 9 3.590 -4.772 -14.254
84 H ILE 10 H ILE 10 1.536 -5.969 -13.081
85 HA ILE 10 HA ILE 10 0.714 -8.245 -14.723
86 HB ILE 10 HB ILE 10 2.371 -9.528 -13.661
87 HG12 ILE 10 2HG1 ILE 10 1.684 -8.572 -11.344
88 HG13 ILE 10 3HG1 ILE 10 3.341 -9.118 -11.578
89 HG21 ILE 10 1HG2 ILE 10 4.412 -7.972 -13.688
90 HG22 ILE 10 2HG2 ILE 10 3.468 -8.128 -15.168
91 HG23 ILE 10 3HG2 ILE 10 3.268 -6.709 -14.141
92 HD11 ILE 10 3HD1 ILE 10 4.174 -7.083 -11.232
93 HD12 ILE 10 1HD1 ILE 10 2.940 -6.304 -12.222
94 HD13 ILE 10 2HD1 ILE 10 2.594 -6.712 -10.541
95 H HIS 11 H HIS 11 0.007 -6.691 -11.735
96 HA HIS 11 HA HIS 11 -0.979 -8.776 -10.188
97 HB2 HIS 11 2HB HIS 11 -0.698 -6.447 -9.393
98 HB3 HIS 11 3HB HIS 11 -2.086 -5.965 -10.365
99 HD1 HIS 11 HD1 HIS 11 -2.273 -9.197 -8.536
100 HD2 HIS 11 HD2 HIS 11 -3.471 -5.254 -8.007
101 HE1 HIS 11 HE1 HIS 11 -3.904 -9.241 -6.623
102 H ASN 12 H ASN 12 -2.208 -7.456 -13.098
103 HA ASN 12 HA ASN 12 -4.942 -8.231 -12.714
104 HB2 ASN 12 2HB ASN 12 -3.318 -7.146 -14.969
105 HB3 ASN 12 3HB ASN 12 -4.835 -7.952 -15.357
106 HD21 ASN 12 1HD2 ASN 12 -3.688 -5.701 -12.860
107 HD22 ASN 12 2HD2 ASN 12 -4.995 -4.584 -13.029
108 H LEU 13 H LEU 13 -2.075 -9.859 -13.565
109 HA LEU 13 HA LEU 13 -3.639 -12.164 -14.529
110 HB2 LEU 13 2HB LEU 13 -1.937 -12.772 -15.993
111 HB3 LEU 13 3HB LEU 13 -2.049 -11.021 -16.165
112 HG LEU 13 HG LEU 13 -0.108 -11.405 -14.210
113 HD11 LEU 13 1HD1 LEU 13 -0.077 -13.802 -14.858
114 HD12 LEU 13 2HD1 LEU 13 1.457 -12.974 -15.128
115 HD13 LEU 13 3HD1 LEU 13 0.388 -13.314 -16.488
116 HD21 LEU 13 3HD2 LEU 13 -0.203 -9.725 -16.044
117 HD22 LEU 13 1HD2 LEU 13 0.326 -10.981 -17.162
118 HD23 LEU 13 2HD2 LEU 13 1.381 -10.475 -15.842
119 H PHE 14 H PHE 14 -1.433 -10.949 -12.218
120 HA PHE 14 HA PHE 14 -0.333 -13.471 -11.410
121 HB2 PHE 14 2HB PHE 14 -0.001 -10.677 -10.699
122 HB3 PHE 14 3HB PHE 14 -0.063 -11.700 -9.267
123 HD1 PHE 14 HD1 PHE 14 1.592 -13.501 -8.962
124 HD2 PHE 14 HD2 PHE 14 1.858 -10.719 -12.173
125 HE1 PHE 14 HE1 PHE 14 3.944 -14.134 -9.311
126 HE2 PHE 14 HE2 PHE 14 4.210 -11.349 -12.528
127 HZ PHE 14 HZ PHE 14 5.256 -13.058 -11.097
128 H ARG 15 H ARG 15 -3.131 -11.576 -10.589
129 HA ARG 15 HA ARG 15 -3.777 -12.590 -8.088
130 HB2 ARG 15 2HB ARG 15 -6.064 -11.944 -8.561
131 HB3 ARG 15 3HB ARG 15 -4.966 -10.729 -9.200
132 HG2 ARG 15 2HG ARG 15 -6.266 -10.895 -11.021
133 HG3 ARG 15 3HG ARG 15 -5.249 -12.294 -11.371
134 HD2 ARG 15 2HD ARG 15 -6.904 -13.768 -10.946
135 HD3 ARG 15 3HD ARG 15 -7.552 -12.812 -9.614
136 HE ARG 15 HE ARG 15 -8.425 -12.781 -12.331
137 HH11 ARG 15 1HH1 ARG 15 -8.094 -10.835 -9.464
138 HH12 ARG 15 2HH1 ARG 15 -9.381 -9.756 -9.890
139 HH21 ARG 15 1HH2 ARG 15 -10.121 -11.368 -12.903
140 HH22 ARG 15 2HH2 ARG 15 -10.534 -10.060 -11.846
141 H LYS 16 H LYS 16 -4.136 -14.023 -11.258
142 HA LYS 16 HA LYS 16 -5.929 -16.081 -10.640
143 HB2 LYS 16 2HB LYS 16 -5.160 -15.405 -12.936
144 HB3 LYS 16 3HB LYS 16 -3.646 -16.240 -12.614
145 HG2 LYS 16 2HG LYS 16 -5.529 -18.145 -12.014
146 HG3 LYS 16 3HG LYS 16 -6.240 -17.301 -13.393
147 HD2 LYS 16 2HD LYS 16 -3.562 -17.621 -14.072
148 HD3 LYS 16 3HD LYS 16 -4.008 -19.145 -13.300
149 HE2 LYS 16 2HE LYS 16 -5.995 -19.238 -14.808
150 HE3 LYS 16 3HE LYS 16 -5.366 -17.817 -15.642
151 HZ1 LYS 16 3HZ LYS 16 -4.013 -19.095 -16.818
152 HZ2 LYS 16 1HZ LYS 16 -4.743 -20.462 -16.140
153 HZ3 LYS 16 2HZ LYS 16 -3.359 -19.801 -15.426
154 H LEU 17 H LEU 17 -2.573 -15.681 -9.897
155 HA LEU 17 HA LEU 17 -2.284 -18.484 -9.123
156 HB2 LEU 17 2HB LEU 17 -0.432 -17.589 -10.331
157 HB3 LEU 17 3HB LEU 17 -0.341 -16.189 -9.264
158 HG LEU 17 HG LEU 17 -0.002 -18.562 -7.709
159 HD11 LEU 17 1HD1 LEU 17 1.690 -18.378 -10.190
160 HD12 LEU 17 2HD1 LEU 17 0.729 -19.746 -9.628
161 HD13 LEU 17 3HD1 LEU 17 2.178 -19.264 -8.746
162 HD21 LEU 17 3HD2 LEU 17 0.805 -16.103 -7.459
163 HD22 LEU 17 1HD2 LEU 17 2.185 -16.650 -8.411
164 HD23 LEU 17 2HD2 LEU 17 1.819 -17.419 -6.867
165 H THR 18 H THR 18 -2.502 -15.272 -7.740
166 HA THR 18 HA THR 18 -1.689 -15.804 -5.128
167 HB THR 18 HB THR 18 -2.970 -13.851 -4.450
168 HG1 THR 18 HG1 THR 18 -4.637 -13.127 -5.586
169 HG21 THR 18 3HG2 THR 18 -2.190 -12.249 -6.310
170 HG22 THR 18 1HG2 THR 18 -1.528 -13.690 -7.079
171 HG23 THR 18 2HG2 THR 18 -0.969 -13.210 -5.477
172 H HIS 19 H HIS 19 -4.797 -16.317 -6.705
173 HA HIS 19 HA HIS 19 -6.298 -16.920 -4.399
174 HB2 HIS 19 2HB HIS 19 -6.895 -16.615 -7.031
175 HB3 HIS 19 3HB HIS 19 -7.013 -18.365 -6.874
176 HD1 HIS 19 HD1 HIS 19 -8.651 -19.148 -4.805
177 HD2 HIS 19 HD2 HIS 19 -9.147 -15.303 -6.298
178 HE1 HIS 19 HE1 HIS 19 -10.937 -18.423 -4.049
179 H ARG 20 H ARG 20 -3.963 -18.730 -6.179
180 HA ARG 20 HA ARG 20 -4.740 -21.212 -4.816
181 HB2 ARG 20 2HB ARG 20 -4.478 -21.420 -7.222
182 HB3 ARG 20 3HB ARG 20 -2.862 -20.732 -7.136
183 HG2 ARG 20 2HG ARG 20 -3.197 -23.067 -5.430
184 HG3 ARG 20 3HG ARG 20 -3.480 -23.402 -7.140
185 HD2 ARG 20 2HD ARG 20 -1.318 -23.097 -7.685
186 HD3 ARG 20 3HD ARG 20 -1.130 -21.734 -6.582
187 HE ARG 20 HE ARG 20 -1.333 -24.261 -5.239
188 HH11 ARG 20 1HH1 ARG 20 0.828 -22.048 -6.837
189 HH12 ARG 20 2HH1 ARG 20 2.238 -22.623 -6.009
190 HH21 ARG 20 1HH2 ARG 20 0.515 -25.027 -4.144
191 HH22 ARG 20 2HH2 ARG 20 2.058 -24.318 -4.478
192 H LEU 21 H LEU 21 -2.549 -18.653 -4.626
193 HA LEU 21 HA LEU 21 -0.499 -20.232 -3.266
194 HB2 LEU 21 2HB LEU 21 0.584 -18.751 -4.635
195 HB3 LEU 21 3HB LEU 21 -0.641 -17.501 -4.431
196 HG LEU 21 HG LEU 21 0.254 -17.061 -2.160
197 HD11 LEU 21 1HD1 LEU 21 1.640 -18.487 -1.187
198 HD12 LEU 21 2HD1 LEU 21 2.829 -18.217 -2.460
199 HD13 LEU 21 3HD1 LEU 21 1.627 -19.495 -2.634
200 HD21 LEU 21 3HD2 LEU 21 2.593 -16.277 -3.130
201 HD22 LEU 21 1HD2 LEU 21 1.081 -15.498 -3.593
202 HD23 LEU 21 2HD2 LEU 21 1.816 -16.696 -4.657
203 H PHE 22 H PHE 22 -3.115 -18.071 -2.620
204 HA PHE 22 HA PHE 22 -2.249 -17.637 0.136
205 HB2 PHE 22 2HB PHE 22 -4.310 -16.415 -1.646
206 HB3 PHE 22 3HB PHE 22 -4.564 -16.346 0.094
207 HD1 PHE 22 HD1 PHE 22 -2.810 -15.264 1.532
208 HD2 PHE 22 HD2 PHE 22 -2.816 -14.962 -2.714
209 HE1 PHE 22 HE1 PHE 22 -1.323 -13.309 1.673
210 HE2 PHE 22 HE2 PHE 22 -1.327 -13.008 -2.580
211 HZ PHE 22 HZ PHE 22 -0.578 -12.179 -0.385
212 H ARG 23 H ARG 23 -5.484 -18.283 -1.183
213 HA ARG 23 HA ARG 23 -5.915 -20.178 1.017
214 HB2 ARG 23 2HB ARG 23 -8.278 -19.814 0.705
215 HB3 ARG 23 3HB ARG 23 -7.474 -18.253 0.810
216 HG2 ARG 23 2HG ARG 23 -7.601 -19.071 -1.926
217 HG3 ARG 23 3HG ARG 23 -9.205 -19.180 -1.197
218 HD2 ARG 23 2HD ARG 23 -7.719 -16.756 -0.492
219 HD3 ARG 23 3HD ARG 23 -8.085 -16.906 -2.211
220 HE ARG 23 HE ARG 23 -10.375 -17.445 -0.617
221 HH11 ARG 23 1HH1 ARG 23 -8.390 -14.858 -1.837
222 HH12 ARG 23 2HH1 ARG 23 -9.666 -13.687 -1.802
223 HH21 ARG 23 1HH2 ARG 23 -12.064 -15.913 -0.566
224 HH22 ARG 23 2HH2 ARG 23 -11.755 -14.288 -1.078
225 H ARG 24 H ARG 24 -4.508 -20.732 -1.559
226 HA ARG 24 HA ARG 24 -4.409 -22.326 -3.185
227 HB2 ARG 24 2HB ARG 24 -5.997 -23.703 -1.029
228 HB3 ARG 24 3HB ARG 24 -5.540 -24.530 -2.511
229 HG2 ARG 24 2HG ARG 24 -3.546 -24.980 -1.671
230 HG3 ARG 24 3HG ARG 24 -3.233 -23.259 -1.436
231 HD2 ARG 24 2HD ARG 24 -3.887 -23.299 0.760
232 HD3 ARG 24 3HD ARG 24 -4.980 -24.662 0.520
233 HE ARG 24 HE ARG 24 -3.252 -26.087 0.995
234 HH11 ARG 24 1HH1 ARG 24 -1.971 -22.919 0.328
235 HH12 ARG 24 2HH1 ARG 24 -0.357 -23.328 0.806
236 HH21 ARG 24 1HH2 ARG 24 -1.131 -26.637 1.627
237 HH22 ARG 24 2HH2 ARG 24 0.120 -25.444 1.544
Start of MODEL 10
1 H1 TRP 1 H TRP 1 1.793 0.532 0.664
2 HA TRP 1 HA TRP 1 3.994 -0.128 -0.884
3 HB2 TRP 1 2HB TRP 1 2.324 -2.282 -0.901
4 HB3 TRP 1 3HB TRP 1 1.755 -1.402 -2.316
5 HD1 TRP 1 HD1 TRP 1 2.903 -2.190 -4.449
6 HE1 TRP 1 HE1 TRP 1 5.218 -3.125 -5.074
7 HE3 TRP 1 HE3 TRP 1 5.092 -2.091 0.169
8 HZ2 TRP 1 HZ2 TRP 1 7.650 -3.740 -3.781
9 HZ3 TRP 1 HZ3 TRP 1 7.416 -2.871 0.390
10 HH2 TRP 1 HH2 TRP 1 8.666 -3.678 -1.545
11 H TRP 2 H TRP 2 4.172 1.819 -1.779
12 HA TRP 2 HA TRP 2 1.782 3.186 -2.761
13 HB2 TRP 2 2HB TRP 2 2.805 5.037 -2.035
14 HB3 TRP 2 3HB TRP 2 4.156 4.049 -1.485
15 HD1 TRP 2 HD1 TRP 2 3.260 6.673 -3.986
16 HE1 TRP 2 HE1 TRP 2 5.274 7.157 -5.513
17 HE3 TRP 2 HE3 TRP 2 6.242 2.736 -2.667
18 HZ2 TRP 2 HZ2 TRP 2 7.794 6.020 -6.083
19 HZ3 TRP 2 HZ3 TRP 2 8.439 2.506 -3.750
20 HH2 TRP 2 HH2 TRP 2 9.197 4.115 -5.423
21 H TRP 3 H TRP 3 4.532 1.469 -3.888
22 HA TRP 3 HA TRP 3 4.424 2.594 -6.560
23 HB2 TRP 3 2HB TRP 3 6.430 1.412 -5.081
24 HB3 TRP 3 3HB TRP 3 5.987 0.141 -6.217
25 HD1 TRP 3 HD1 TRP 3 5.937 3.870 -7.151
26 HE1 TRP 3 HE1 TRP 3 7.687 4.268 -8.996
27 HE3 TRP 3 HE3 TRP 3 8.099 -0.762 -7.229
28 HZ2 TRP 3 HZ2 TRP 3 9.715 2.810 -10.311
29 HZ3 TRP 3 HZ3 TRP 3 9.938 -1.178 -8.811
30 HH2 TRP 3 HH2 TRP 3 10.727 0.572 -10.319
31 H LYS 4 H LYS 4 2.218 0.935 -5.218
32 HA LYS 4 HA LYS 4 1.946 -1.536 -6.469
33 HB2 LYS 4 2HB LYS 4 0.433 -0.040 -4.732
34 HB3 LYS 4 3HB LYS 4 -0.564 -0.044 -6.181
35 HG2 LYS 4 2HG LYS 4 -0.860 -2.336 -6.132
36 HG3 LYS 4 3HG LYS 4 0.574 -2.601 -5.137
37 HD2 LYS 4 2HD LYS 4 -1.107 -2.919 -3.596
38 HD3 LYS 4 3HD LYS 4 -0.757 -1.203 -3.370
39 HE2 LYS 4 2HE LYS 4 -2.911 -0.799 -3.748
40 HE3 LYS 4 3HE LYS 4 -2.647 -1.295 -5.418
41 HZ1 LYS 4 3HZ LYS 4 -3.399 -3.131 -3.208
42 HZ2 LYS 4 1HZ LYS 4 -3.241 -3.538 -4.843
43 HZ3 LYS 4 2HZ LYS 4 -4.478 -2.497 -4.346
44 H TYR 5 H TYR 5 1.731 1.622 -7.779
45 HA TYR 5 HA TYR 5 -0.027 1.252 -9.913
46 HB2 TYR 5 2HB TYR 5 2.474 2.941 -10.010
47 HB3 TYR 5 3HB TYR 5 0.981 3.183 -10.909
48 HD1 TYR 5 HD2 TYR 5 -1.105 3.003 -8.940
49 HD2 TYR 5 HD1 TYR 5 2.770 4.720 -8.567
50 HE1 TYR 5 HE2 TYR 5 -1.939 4.485 -7.163
51 HE2 TYR 5 HE1 TYR 5 1.947 6.206 -6.788
52 HH TYR 5 HH TYR 5 0.030 6.154 -5.087
53 H GLU 6 H GLU 6 3.257 0.196 -9.461
54 HA GLU 6 HA GLU 6 3.521 -0.588 -12.257
55 HB2 GLU 6 2HB GLU 6 5.549 -1.219 -10.143
56 HB3 GLU 6 3HB GLU 6 5.793 -0.902 -11.855
57 HG2 GLU 6 2HG GLU 6 4.769 1.468 -11.015
58 HG3 GLU 6 3HG GLU 6 5.668 0.948 -9.591
59 H ILE 7 H ILE 7 2.003 -1.842 -9.690
60 HA ILE 7 HA ILE 7 2.818 -4.617 -10.189
61 HB ILE 7 HB ILE 7 1.359 -3.288 -7.933
62 HG12 ILE 7 2HG1 ILE 7 3.832 -3.529 -7.884
63 HG13 ILE 7 3HG1 ILE 7 3.036 -4.403 -6.580
64 HG21 ILE 7 1HG2 ILE 7 -0.102 -5.042 -8.123
65 HG22 ILE 7 2HG2 ILE 7 1.101 -6.108 -8.847
66 HG23 ILE 7 3HG2 ILE 7 1.144 -5.778 -7.115
67 HD11 ILE 7 3HD1 ILE 7 4.182 -5.561 -9.106
68 HD12 ILE 7 1HD1 ILE 7 4.789 -5.760 -7.462
69 HD13 ILE 7 2HD1 ILE 7 3.244 -6.476 -7.925
70 H THR 8 H THR 8 0.024 -2.468 -10.246
71 HA THR 8 HA THR 8 -2.044 -4.205 -10.702
72 HB THR 8 HB THR 8 -3.233 -2.444 -11.773
73 HG1 THR 8 HG1 THR 8 -2.202 -0.724 -12.773
74 HG21 THR 8 3HG2 THR 8 -2.942 -0.624 -10.265
75 HG22 THR 8 1HG2 THR 8 -1.251 -1.039 -9.988
76 HG23 THR 8 2HG2 THR 8 -2.529 -2.089 -9.376
77 H THR 9 H THR 9 0.524 -3.304 -12.886
78 HA THR 9 HA THR 9 -0.544 -4.062 -15.332
79 HB THR 9 HB THR 9 1.541 -3.003 -15.446
80 HG1 THR 9 HG1 THR 9 2.037 -4.345 -17.000
81 HG21 THR 9 3HG2 THR 9 3.332 -4.869 -14.203
82 HG22 THR 9 1HG2 THR 9 2.079 -4.392 -13.057
83 HG23 THR 9 2HG2 THR 9 3.074 -3.163 -13.838
84 H ILE 10 H ILE 10 1.367 -6.068 -13.085
85 HA ILE 10 HA ILE 10 0.639 -8.460 -14.573
86 HB ILE 10 HB ILE 10 2.247 -9.626 -13.324
87 HG12 ILE 10 2HG1 ILE 10 1.355 -8.534 -11.126
88 HG13 ILE 10 3HG1 ILE 10 3.022 -9.097 -11.197
89 HG21 ILE 10 1HG2 ILE 10 4.254 -8.061 -13.318
90 HG22 ILE 10 2HG2 ILE 10 3.383 -8.238 -14.841
91 HG23 ILE 10 3HG2 ILE 10 3.134 -6.804 -13.844
92 HD11 ILE 10 3HD1 ILE 10 2.286 -6.678 -10.299
93 HD12 ILE 10 1HD1 ILE 10 3.862 -7.025 -11.009
94 HD13 ILE 10 2HD1 ILE 10 2.591 -6.302 -11.995
95 H HIS 11 H HIS 11 -0.304 -6.747 -11.737
96 HA HIS 11 HA HIS 11 -1.356 -8.755 -10.137
97 HB2 HIS 11 2HB HIS 11 -1.185 -6.373 -9.476
98 HB3 HIS 11 3HB HIS 11 -2.512 -5.993 -10.570
99 HD1 HIS 11 HD1 HIS 11 -2.396 -8.932 -8.190
100 HD2 HIS 11 HD2 HIS 11 -4.429 -5.349 -8.728
101 HE1 HIS 11 HE1 HIS 11 -4.246 -8.946 -6.486
102 H ASN 12 H ASN 12 -2.407 -7.647 -13.203
103 HA ASN 12 HA ASN 12 -5.142 -8.461 -12.966
104 HB2 ASN 12 2HB ASN 12 -3.395 -7.367 -15.077
105 HB3 ASN 12 3HB ASN 12 -4.688 -8.417 -15.651
106 HD21 ASN 12 1HD2 ASN 12 -3.954 -5.499 -13.866
107 HD22 ASN 12 2HD2 ASN 12 -5.509 -4.768 -14.049
108 H LEU 13 H LEU 13 -2.189 -10.079 -13.513
109 HA LEU 13 HA LEU 13 -3.641 -12.480 -14.413
110 HB2 LEU 13 2HB LEU 13 -1.829 -13.148 -15.702
111 HB3 LEU 13 3HB LEU 13 -1.933 -11.412 -15.989
112 HG LEU 13 HG LEU 13 -0.154 -11.666 -13.863
113 HD11 LEU 13 1HD1 LEU 13 1.547 -13.208 -15.061
114 HD12 LEU 13 2HD1 LEU 13 0.117 -13.921 -15.808
115 HD13 LEU 13 3HD1 LEU 13 0.291 -13.927 -14.053
116 HD21 LEU 13 3HD2 LEU 13 1.396 -10.706 -15.346
117 HD22 LEU 13 1HD2 LEU 13 -0.181 -10.145 -15.902
118 HD23 LEU 13 2HD2 LEU 13 0.640 -11.453 -16.754
119 H PHE 14 H PHE 14 -1.611 -11.066 -12.044
120 HA PHE 14 HA PHE 14 -0.575 -13.516 -10.969
121 HB2 PHE 14 2HB PHE 14 -0.310 -10.664 -10.430
122 HB3 PHE 14 3HB PHE 14 -0.410 -11.615 -8.952
123 HD1 PHE 14 HD1 PHE 14 1.263 -13.369 -8.496
124 HD2 PHE 14 HD2 PHE 14 1.606 -10.741 -11.827
125 HE1 PHE 14 HE1 PHE 14 3.637 -13.973 -8.724
126 HE2 PHE 14 HE2 PHE 14 3.981 -11.342 -12.060
127 HZ PHE 14 HZ PHE 14 4.999 -12.960 -10.509
128 H ARG 15 H ARG 15 -3.469 -11.675 -10.604
129 HA ARG 15 HA ARG 15 -4.296 -12.383 -8.047
130 HB2 ARG 15 2HB ARG 15 -6.599 -12.022 -8.882
131 HB3 ARG 15 3HB ARG 15 -5.496 -10.735 -9.351
132 HG2 ARG 15 2HG ARG 15 -6.313 -11.002 -11.402
133 HG3 ARG 15 3HG ARG 15 -5.334 -12.469 -11.470
134 HD2 ARG 15 2HD ARG 15 -7.242 -13.566 -11.830
135 HD3 ARG 15 3HD ARG 15 -7.609 -13.272 -10.131
136 HE ARG 15 HE ARG 15 -8.482 -11.024 -11.378
137 HH11 ARG 15 1HH1 ARG 15 -9.064 -14.426 -11.830
138 HH12 ARG 15 2HH1 ARG 15 -10.672 -14.203 -12.435
139 HH21 ARG 15 1HH2 ARG 15 -10.597 -10.718 -12.173
140 HH22 ARG 15 2HH2 ARG 15 -11.543 -12.094 -12.631
141 H LYS 16 H LYS 16 -4.122 -14.276 -10.943
142 HA LYS 16 HA LYS 16 -5.932 -16.329 -10.163
143 HB2 LYS 16 2HB LYS 16 -5.144 -17.536 -12.046
144 HB3 LYS 16 3HB LYS 16 -5.126 -15.841 -12.514
145 HG2 LYS 16 2HG LYS 16 -3.073 -16.350 -13.265
146 HG3 LYS 16 3HG LYS 16 -2.616 -16.092 -11.580
147 HD2 LYS 16 2HD LYS 16 -3.057 -18.567 -11.232
148 HD3 LYS 16 3HD LYS 16 -3.137 -18.700 -12.990
149 HE2 LYS 16 2HE LYS 16 -0.876 -17.891 -13.198
150 HE3 LYS 16 3HE LYS 16 -0.790 -17.575 -11.466
151 HZ1 LYS 16 3HZ LYS 16 -0.893 -19.896 -11.013
152 HZ2 LYS 16 1HZ LYS 16 0.307 -19.665 -12.182
153 HZ3 LYS 16 2HZ LYS 16 -1.206 -20.272 -12.632
154 H LEU 17 H LEU 17 -2.625 -15.621 -9.432
155 HA LEU 17 HA LEU 17 -1.983 -18.279 -8.520
156 HB2 LEU 17 2HB LEU 17 -0.237 -16.881 -9.434
157 HB3 LEU 17 3HB LEU 17 -0.549 -15.646 -8.215
158 HG LEU 17 HG LEU 17 0.094 -17.531 -6.534
159 HD11 LEU 17 1HD1 LEU 17 0.983 -19.416 -7.309
160 HD12 LEU 17 2HD1 LEU 17 2.015 -18.551 -8.447
161 HD13 LEU 17 3HD1 LEU 17 0.357 -18.955 -8.892
162 HD21 LEU 17 3HD2 LEU 17 2.601 -16.950 -7.144
163 HD22 LEU 17 1HD2 LEU 17 1.508 -15.743 -6.466
164 HD23 LEU 17 2HD2 LEU 17 1.817 -15.776 -8.202
165 H THR 18 H THR 18 -3.042 -15.249 -7.106
166 HA THR 18 HA THR 18 -2.530 -15.712 -4.421
167 HB THR 18 HB THR 18 -4.225 -14.109 -3.899
168 HG1 THR 18 HG1 THR 18 -5.247 -14.061 -6.511
169 HG21 THR 18 3HG2 THR 18 -3.612 -12.271 -5.293
170 HG22 THR 18 1HG2 THR 18 -3.197 -13.344 -6.629
171 HG23 THR 18 2HG2 THR 18 -2.203 -13.324 -5.172
172 H HIS 19 H HIS 19 -5.247 -16.801 -6.403
173 HA HIS 19 HA HIS 19 -6.833 -17.875 -4.362
174 HB2 HIS 19 2HB HIS 19 -7.184 -17.579 -7.001
175 HB3 HIS 19 3HB HIS 19 -6.761 -19.288 -6.978
176 HD1 HIS 19 HD1 HIS 19 -8.420 -20.903 -5.792
177 HD2 HIS 19 HD2 HIS 19 -9.690 -16.951 -5.964
178 HE1 HIS 19 HE1 HIS 19 -10.862 -20.955 -5.196
179 H ARG 20 H ARG 20 -3.857 -18.946 -5.673
180 HA ARG 20 HA ARG 20 -4.211 -21.619 -4.501
181 HB2 ARG 20 2HB ARG 20 -2.183 -20.588 -6.491
182 HB3 ARG 20 3HB ARG 20 -2.161 -22.207 -5.805
183 HG2 ARG 20 2HG ARG 20 -3.660 -22.932 -7.269
184 HG3 ARG 20 3HG ARG 20 -4.746 -21.585 -6.924
185 HD2 ARG 20 2HD ARG 20 -3.255 -20.173 -8.394
186 HD3 ARG 20 3HD ARG 20 -2.461 -21.670 -8.880
187 HE ARG 20 HE ARG 20 -4.984 -20.701 -9.783
188 HH11 ARG 20 1HH1 ARG 20 -3.186 -23.601 -9.089
189 HH12 ARG 20 2HH1 ARG 20 -4.088 -24.581 -10.197
190 HH21 ARG 20 1HH2 ARG 20 -6.179 -21.981 -11.244
191 HH22 ARG 20 2HH2 ARG 20 -5.790 -23.659 -11.423
192 H LEU 21 H LEU 21 -2.591 -18.621 -4.120
193 HA LEU 21 HA LEU 21 -0.731 -19.793 -2.167
194 HB2 LEU 21 2HB LEU 21 -0.668 -17.360 -3.876
195 HB3 LEU 21 3HB LEU 21 0.166 -17.310 -2.324
196 HG LEU 21 HG LEU 21 0.713 -19.269 -4.554
197 HD11 LEU 21 1HD1 LEU 21 1.396 -16.678 -4.584
198 HD12 LEU 21 2HD1 LEU 21 2.406 -17.954 -5.262
199 HD13 LEU 21 3HD1 LEU 21 2.743 -17.327 -3.648
200 HD21 LEU 21 3HD2 LEU 21 1.353 -20.450 -2.698
201 HD22 LEU 21 1HD2 LEU 21 1.704 -18.999 -1.758
202 HD23 LEU 21 2HD2 LEU 21 2.826 -19.531 -3.011
203 H PHE 22 H PHE 22 -2.189 -16.563 -2.432
204 HA PHE 22 HA PHE 22 -2.345 -16.041 0.272
205 HB2 PHE 22 2HB PHE 22 -3.831 -15.024 -2.113
206 HB3 PHE 22 3HB PHE 22 -4.393 -14.564 -0.509
207 HD1 PHE 22 HD1 PHE 22 -2.609 -13.572 1.087
208 HD2 PHE 22 HD2 PHE 22 -2.170 -13.797 -3.141
209 HE1 PHE 22 HE1 PHE 22 -0.913 -11.790 1.172
210 HE2 PHE 22 HE2 PHE 22 -0.473 -12.017 -3.063
211 HZ PHE 22 HZ PHE 22 0.158 -11.012 -0.905
212 H ARG 23 H ARG 23 -4.554 -17.847 -1.761
213 HA ARG 23 HA ARG 23 -6.632 -18.016 0.206
214 HB2 ARG 23 2HB ARG 23 -6.415 -18.551 -2.523
215 HB3 ARG 23 3HB ARG 23 -6.677 -20.126 -1.787
216 HG2 ARG 23 2HG ARG 23 -8.797 -19.220 -2.387
217 HG3 ARG 23 3HG ARG 23 -8.665 -19.184 -0.627
218 HD2 ARG 23 2HD ARG 23 -8.655 -16.925 -0.543
219 HD3 ARG 23 3HD ARG 23 -7.728 -16.770 -2.034
220 HE ARG 23 HE ARG 23 -9.691 -16.509 -3.162
221 HH11 ARG 23 1HH1 ARG 23 -10.360 -18.030 -0.103
222 HH12 ARG 23 2HH1 ARG 23 -12.080 -17.974 -0.303
223 HH21 ARG 23 1HH2 ARG 23 -11.954 -16.429 -3.437
224 HH22 ARG 23 2HH2 ARG 23 -12.986 -17.064 -2.200
225 H ARG 24 H ARG 24 -3.852 -19.937 -0.696
226 HA ARG 24 HA ARG 24 -4.442 -22.374 0.456
227 HB2 ARG 24 2HB ARG 24 -2.279 -21.395 -0.779
228 HB3 ARG 24 3HB ARG 24 -1.699 -21.310 0.879
229 HG2 ARG 24 2HG ARG 24 -1.107 -23.435 0.686
230 HG3 ARG 24 3HG ARG 24 -2.824 -23.843 0.653
231 HD2 ARG 24 2HD ARG 24 -2.738 -23.420 -1.840
232 HD3 ARG 24 3HD ARG 24 -0.983 -23.366 -1.678
233 HE ARG 24 HE ARG 24 -2.632 -25.693 -1.690
234 HH11 ARG 24 1HH1 ARG 24 0.314 -24.351 -0.411
235 HH12 ARG 24 2HH1 ARG 24 1.080 -25.891 -0.204
236 HH21 ARG 24 1HH2 ARG 24 -1.635 -27.727 -1.422
237 HH22 ARG 24 2HH2 ARG 24 -0.030 -27.811 -0.780
Start of MODEL 11
1 H1 TRP 1 H TRP 1 2.461 -0.487 1.376
2 HA TRP 1 HA TRP 1 3.910 -1.011 -0.535
3 HB2 TRP 1 2HB TRP 1 2.251 -3.167 -0.730
4 HB3 TRP 1 3HB TRP 1 1.671 -2.171 -2.062
5 HD1 TRP 1 HD1 TRP 1 2.783 -2.858 -4.248
6 HE1 TRP 1 HE1 TRP 1 5.113 -3.686 -4.965
7 HE3 TRP 1 HE3 TRP 1 5.065 -2.923 0.326
8 HZ2 TRP 1 HZ2 TRP 1 7.589 -4.287 -3.752
9 HZ3 TRP 1 HZ3 TRP 1 7.416 -3.638 0.461
10 HH2 TRP 1 HH2 TRP 1 8.650 -4.306 -1.537
11 H TRP 2 H TRP 2 4.060 1.022 -1.227
12 HA TRP 2 HA TRP 2 1.659 2.457 -2.064
13 HB2 TRP 2 2HB TRP 2 2.706 4.213 -1.162
14 HB3 TRP 2 3HB TRP 2 4.105 3.201 -0.812
15 HD1 TRP 2 HD1 TRP 2 2.951 5.995 -3.043
16 HE1 TRP 2 HE1 TRP 2 4.873 6.709 -4.599
17 HE3 TRP 2 HE3 TRP 2 6.203 2.158 -2.129
18 HZ2 TRP 2 HZ2 TRP 2 7.429 5.770 -5.340
19 HZ3 TRP 2 HZ3 TRP 2 8.365 2.140 -3.303
20 HH2 TRP 2 HH2 TRP 2 8.964 3.909 -4.875
21 H TRP 3 H TRP 3 4.445 0.906 -3.384
22 HA TRP 3 HA TRP 3 4.203 2.215 -5.963
23 HB2 TRP 3 2HB TRP 3 6.318 1.068 -4.634
24 HB3 TRP 3 3HB TRP 3 5.901 -0.174 -5.812
25 HD1 TRP 3 HD1 TRP 3 5.710 3.622 -6.477
26 HE1 TRP 3 HE1 TRP 3 7.330 4.183 -8.397
27 HE3 TRP 3 HE3 TRP 3 7.890 -0.965 -7.066
28 HZ2 TRP 3 HZ2 TRP 3 9.275 2.856 -9.955
29 HZ3 TRP 3 HZ3 TRP 3 9.621 -1.235 -8.794
30 HH2 TRP 3 HH2 TRP 3 10.297 0.637 -10.208
31 H LYS 4 H LYS 4 2.079 0.424 -4.742
32 HA LYS 4 HA LYS 4 1.899 -1.998 -6.111
33 HB2 LYS 4 2HB LYS 4 0.438 -1.374 -4.231
34 HB3 LYS 4 3HB LYS 4 -0.352 -0.174 -5.244
35 HG2 LYS 4 2HG LYS 4 -1.222 -1.899 -6.686
36 HG3 LYS 4 3HG LYS 4 -0.341 -3.136 -5.786
37 HD2 LYS 4 2HD LYS 4 -1.808 -1.744 -3.863
38 HD3 LYS 4 3HD LYS 4 -2.908 -1.933 -5.231
39 HE2 LYS 4 2HE LYS 4 -3.215 -3.845 -3.881
40 HE3 LYS 4 3HE LYS 4 -2.247 -4.374 -5.255
41 HZ1 LYS 4 3HZ LYS 4 -1.643 -4.647 -2.567
42 HZ2 LYS 4 1HZ LYS 4 -0.561 -3.492 -3.167
43 HZ3 LYS 4 2HZ LYS 4 -0.651 -5.021 -3.885
44 H TYR 5 H TYR 5 1.584 1.208 -7.262
45 HA TYR 5 HA TYR 5 -0.177 0.895 -9.404
46 HB2 TYR 5 2HB TYR 5 2.274 2.660 -9.423
47 HB3 TYR 5 3HB TYR 5 0.772 2.901 -10.308
48 HD1 TYR 5 HD2 TYR 5 -1.281 2.508 -8.297
49 HD2 TYR 5 HD1 TYR 5 2.499 4.428 -7.945
50 HE1 TYR 5 HE2 TYR 5 -2.154 3.876 -6.449
51 HE2 TYR 5 HE1 TYR 5 1.637 5.800 -6.095
52 HH TYR 5 HH TYR 5 -1.165 5.113 -4.448
53 H GLU 6 H GLU 6 3.142 -0.079 -9.021
54 HA GLU 6 HA GLU 6 3.445 -0.685 -11.850
55 HB2 GLU 6 2HB GLU 6 5.440 -1.495 -9.774
56 HB3 GLU 6 3HB GLU 6 5.706 -0.992 -11.437
57 HG2 GLU 6 2HG GLU 6 4.881 0.810 -9.172
58 HG3 GLU 6 3HG GLU 6 6.507 0.668 -9.838
59 H ILE 7 H ILE 7 1.921 -2.137 -9.370
60 HA ILE 7 HA ILE 7 2.728 -4.862 -10.101
61 HB ILE 7 HB ILE 7 1.285 -3.722 -7.734
62 HG12 ILE 7 2HG1 ILE 7 3.759 -3.959 -7.723
63 HG13 ILE 7 3HG1 ILE 7 2.974 -4.936 -6.486
64 HG21 ILE 7 1HG2 ILE 7 -0.173 -5.460 -8.063
65 HG22 ILE 7 2HG2 ILE 7 1.033 -6.464 -8.866
66 HG23 ILE 7 3HG2 ILE 7 1.076 -6.265 -7.115
67 HD11 ILE 7 3HD1 ILE 7 4.725 -6.211 -7.489
68 HD12 ILE 7 1HD1 ILE 7 3.179 -6.896 -7.988
69 HD13 ILE 7 2HD1 ILE 7 4.100 -5.888 -9.106
70 H THR 8 H THR 8 -0.061 -2.712 -9.968
71 HA THR 8 HA THR 8 -2.136 -4.404 -10.545
72 HB THR 8 HB THR 8 -3.329 -2.563 -11.463
73 HG1 THR 8 HG1 THR 8 -2.228 -0.694 -12.217
74 HG21 THR 8 3HG2 THR 8 -3.023 -0.867 -9.819
75 HG22 THR 8 1HG2 THR 8 -1.331 -1.306 -9.587
76 HG23 THR 8 2HG2 THR 8 -2.607 -2.400 -9.052
77 H THR 9 H THR 9 0.419 -3.338 -12.668
78 HA THR 9 HA THR 9 -0.667 -3.896 -15.159
79 HB THR 9 HB THR 9 1.420 -2.836 -15.201
80 HG1 THR 9 HG1 THR 9 1.209 -4.549 -16.786
81 HG21 THR 9 3HG2 THR 9 2.967 -3.131 -13.626
82 HG22 THR 9 1HG2 THR 9 3.213 -4.804 -14.126
83 HG23 THR 9 2HG2 THR 9 1.971 -4.413 -12.936
84 H ILE 10 H ILE 10 1.249 -6.079 -13.089
85 HA ILE 10 HA ILE 10 0.505 -8.344 -14.758
86 HB ILE 10 HB ILE 10 2.119 -9.610 -13.617
87 HG12 ILE 10 2HG1 ILE 10 1.254 -8.686 -11.332
88 HG13 ILE 10 3HG1 ILE 10 2.917 -9.247 -11.463
89 HG21 ILE 10 1HG2 ILE 10 4.131 -8.051 -13.508
90 HG22 ILE 10 2HG2 ILE 10 3.249 -8.118 -15.033
91 HG23 ILE 10 3HG2 ILE 10 3.009 -6.760 -13.934
92 HD11 ILE 10 3HD1 ILE 10 2.197 -6.899 -10.378
93 HD12 ILE 10 1HD1 ILE 10 3.767 -7.199 -11.123
94 HD13 ILE 10 2HD1 ILE 10 2.492 -6.398 -12.043
95 H HIS 11 H HIS 11 -0.411 -6.858 -11.789
96 HA HIS 11 HA HIS 11 -1.453 -8.983 -10.341
97 HB2 HIS 11 2HB HIS 11 -1.274 -6.659 -9.500
98 HB3 HIS 11 3HB HIS 11 -2.609 -6.195 -10.549
99 HD1 HIS 11 HD1 HIS 11 -2.477 -9.310 -8.405
100 HD2 HIS 11 HD2 HIS 11 -4.510 -5.695 -8.647
101 HE1 HIS 11 HE1 HIS 11 -4.312 -9.455 -6.692
102 H ASN 12 H ASN 12 -2.527 -7.639 -13.303
103 HA ASN 12 HA ASN 12 -5.262 -8.467 -13.108
104 HB2 ASN 12 2HB ASN 12 -3.578 -7.089 -15.041
105 HB3 ASN 12 3HB ASN 12 -4.663 -8.239 -15.818
106 HD21 ASN 12 1HD2 ASN 12 -4.906 -6.012 -13.062
107 HD22 ASN 12 2HD2 ASN 12 -6.364 -5.251 -13.591
108 H LEU 13 H LEU 13 -2.316 -10.041 -13.801
109 HA LEU 13 HA LEU 13 -3.779 -12.364 -14.872
110 HB2 LEU 13 2HB LEU 13 -1.974 -12.935 -16.220
111 HB3 LEU 13 3HB LEU 13 -2.085 -11.183 -16.378
112 HG LEU 13 HG LEU 13 -0.288 -11.517 -14.313
113 HD11 LEU 13 1HD1 LEU 13 1.392 -13.088 -15.345
114 HD12 LEU 13 2HD1 LEU 13 0.079 -13.696 -16.353
115 HD13 LEU 13 3HD1 LEU 13 -0.014 -13.848 -14.598
116 HD21 LEU 13 3HD2 LEU 13 1.389 -10.858 -16.023
117 HD22 LEU 13 1HD2 LEU 13 -0.076 -9.877 -16.053
118 HD23 LEU 13 2HD2 LEU 13 0.169 -11.132 -17.268
119 H PHE 14 H PHE 14 -1.725 -11.139 -12.419
120 HA PHE 14 HA PHE 14 -0.686 -13.665 -11.544
121 HB2 PHE 14 2HB PHE 14 -0.412 -10.864 -10.789
122 HB3 PHE 14 3HB PHE 14 -0.501 -11.925 -9.388
123 HD1 PHE 14 HD1 PHE 14 1.173 -13.710 -9.080
124 HD2 PHE 14 HD2 PHE 14 1.493 -10.836 -12.204
125 HE1 PHE 14 HE1 PHE 14 3.544 -14.297 -9.373
126 HE2 PHE 14 HE2 PHE 14 3.864 -11.420 -12.502
127 HZ PHE 14 HZ PHE 14 4.893 -13.153 -11.086
128 H ARG 15 H ARG 15 -3.553 -11.816 -10.971
129 HA ARG 15 HA ARG 15 -4.366 -12.728 -8.485
130 HB2 ARG 15 2HB ARG 15 -6.591 -12.128 -9.115
131 HB3 ARG 15 3HB ARG 15 -5.503 -10.985 -9.892
132 HG2 ARG 15 2HG ARG 15 -5.671 -12.653 -11.900
133 HG3 ARG 15 3HG ARG 15 -7.163 -13.142 -11.095
134 HD2 ARG 15 2HD ARG 15 -7.299 -10.396 -11.038
135 HD3 ARG 15 3HD ARG 15 -6.547 -10.720 -12.599
136 HE ARG 15 HE ARG 15 -9.261 -11.246 -11.849
137 HH11 ARG 15 1HH1 ARG 15 -6.650 -12.233 -13.930
138 HH12 ARG 15 2HH1 ARG 15 -7.693 -12.916 -15.132
139 HH21 ARG 15 1HH2 ARG 15 -10.645 -12.142 -13.425
140 HH22 ARG 15 2HH2 ARG 15 -9.965 -12.863 -14.845
141 H LYS 16 H LYS 16 -4.446 -14.336 -11.595
142 HA LYS 16 HA LYS 16 -6.195 -16.433 -10.992
143 HB2 LYS 16 2HB LYS 16 -5.311 -17.548 -12.894
144 HB3 LYS 16 3HB LYS 16 -5.252 -15.828 -13.258
145 HG2 LYS 16 2HG LYS 16 -3.159 -16.286 -13.909
146 HG3 LYS 16 3HG LYS 16 -2.799 -16.194 -12.183
147 HD2 LYS 16 2HD LYS 16 -3.449 -18.726 -12.213
148 HD3 LYS 16 3HD LYS 16 -3.102 -18.594 -13.939
149 HE2 LYS 16 2HE LYS 16 -0.969 -17.314 -12.713
150 HE3 LYS 16 3HE LYS 16 -1.286 -18.706 -11.679
151 HZ1 LYS 16 3HZ LYS 16 0.298 -18.998 -13.644
152 HZ2 LYS 16 1HZ LYS 16 -1.092 -19.007 -14.608
153 HZ3 LYS 16 2HZ LYS 16 -0.888 -20.180 -13.407
154 H LEU 17 H LEU 17 -2.915 -15.862 -10.041
155 HA LEU 17 HA LEU 17 -2.554 -18.604 -9.119
156 HB2 LEU 17 2HB LEU 17 -0.704 -17.418 -10.236
157 HB3 LEU 17 3HB LEU 17 -0.702 -16.233 -8.932
158 HG LEU 17 HG LEU 17 -0.036 -17.986 -7.350
159 HD11 LEU 17 1HD1 LEU 17 -1.101 -19.865 -8.573
160 HD12 LEU 17 2HD1 LEU 17 0.562 -20.189 -8.085
161 HD13 LEU 17 3HD1 LEU 17 0.199 -19.778 -9.762
162 HD21 LEU 17 3HD2 LEU 17 1.530 -16.954 -9.525
163 HD22 LEU 17 1HD2 LEU 17 2.124 -18.544 -9.045
164 HD23 LEU 17 2HD2 LEU 17 1.998 -17.252 -7.851
165 H THR 18 H THR 18 -3.071 -15.370 -7.865
166 HA THR 18 HA THR 18 -2.513 -15.837 -5.162
167 HB THR 18 HB THR 18 -3.882 -13.884 -4.670
168 HG1 THR 18 HG1 THR 18 -5.193 -12.972 -6.253
169 HG21 THR 18 3HG2 THR 18 -2.817 -12.259 -6.205
170 HG22 THR 18 1HG2 THR 18 -2.302 -13.599 -7.229
171 HG23 THR 18 2HG2 THR 18 -1.679 -13.455 -5.585
172 H HIS 19 H HIS 19 -5.397 -16.455 -7.075
173 HA HIS 19 HA HIS 19 -7.291 -16.887 -5.127
174 HB2 HIS 19 2HB HIS 19 -6.921 -17.645 -7.893
175 HB3 HIS 19 3HB HIS 19 -7.709 -18.938 -6.995
176 HD1 HIS 19 HD1 HIS 19 -9.971 -18.233 -5.730
177 HD2 HIS 19 HD2 HIS 19 -8.544 -15.553 -8.567
178 HE1 HIS 19 HE1 HIS 19 -11.905 -16.713 -6.252
179 H ARG 20 H ARG 20 -4.581 -18.897 -6.020
180 HA ARG 20 HA ARG 20 -5.461 -20.941 -4.095
181 HB2 ARG 20 2HB ARG 20 -3.646 -22.336 -5.223
182 HB3 ARG 20 3HB ARG 20 -5.086 -21.989 -6.170
183 HG2 ARG 20 2HG ARG 20 -3.887 -20.180 -7.313
184 HG3 ARG 20 3HG ARG 20 -2.439 -20.571 -6.382
185 HD2 ARG 20 2HD ARG 20 -3.853 -22.577 -8.121
186 HD3 ARG 20 3HD ARG 20 -2.571 -21.529 -8.725
187 HE ARG 20 HE ARG 20 -1.845 -23.009 -6.370
188 HH11 ARG 20 1HH1 ARG 20 -2.023 -23.061 -9.846
189 HH12 ARG 20 2HH1 ARG 20 -0.788 -24.263 -10.022
190 HH21 ARG 20 1HH2 ARG 20 -0.217 -24.592 -6.588
191 HH22 ARG 20 2HH2 ARG 20 0.238 -25.134 -8.168
192 H LEU 21 H LEU 21 -2.998 -18.612 -4.828
193 HA LEU 21 HA LEU 21 -1.102 -19.621 -2.911
194 HB2 LEU 21 2HB LEU 21 -1.260 -17.348 -4.794
195 HB3 LEU 21 3HB LEU 21 -0.246 -17.120 -3.371
196 HG LEU 21 HG LEU 21 0.923 -17.912 -5.463
197 HD11 LEU 21 1HD1 LEU 21 2.060 -18.098 -3.394
198 HD12 LEU 21 2HD1 LEU 21 2.246 -19.649 -4.214
199 HD13 LEU 21 3HD1 LEU 21 1.081 -19.480 -2.901
200 HD21 LEU 21 3HD2 LEU 21 -0.769 -19.488 -6.230
201 HD22 LEU 21 1HD2 LEU 21 -0.520 -20.474 -4.789
202 HD23 LEU 21 2HD2 LEU 21 0.776 -20.302 -5.973
203 H PHE 22 H PHE 22 -2.496 -16.355 -3.080
204 HA PHE 22 HA PHE 22 -2.136 -15.695 -0.426
205 HB2 PHE 22 2HB PHE 22 -3.917 -14.727 -2.596
206 HB3 PHE 22 3HB PHE 22 -4.337 -14.248 -0.955
207 HD1 PHE 22 HD1 PHE 22 -1.647 -14.157 -3.488
208 HD2 PHE 22 HD2 PHE 22 -3.150 -12.556 0.158
209 HE1 PHE 22 HE1 PHE 22 0.030 -12.360 -3.590
210 HE2 PHE 22 HE2 PHE 22 -1.476 -10.755 0.061
211 HZ PHE 22 HZ PHE 22 0.116 -10.655 -1.815
212 H ARG 23 H ARG 23 -4.744 -17.504 -1.919
213 HA ARG 23 HA ARG 23 -6.327 -17.560 0.498
214 HB2 ARG 23 2HB ARG 23 -6.823 -17.993 -2.232
215 HB3 ARG 23 3HB ARG 23 -7.086 -19.548 -1.454
216 HG2 ARG 23 2HG ARG 23 -9.174 -18.503 -1.436
217 HG3 ARG 23 3HG ARG 23 -8.552 -18.292 0.202
218 HD2 ARG 23 2HD ARG 23 -7.597 -16.056 -0.913
219 HD3 ARG 23 3HD ARG 23 -9.015 -16.296 -1.933
220 HE ARG 23 HE ARG 23 -9.632 -16.521 0.845
221 HH11 ARG 23 1HH1 ARG 23 -9.079 -14.253 -1.738
222 HH12 ARG 23 2HH1 ARG 23 -10.029 -12.998 -1.014
223 HH21 ARG 23 1HH2 ARG 23 -10.886 -14.876 1.808
224 HH22 ARG 23 2HH2 ARG 23 -11.056 -13.353 1.003
225 H ARG 24 H ARG 24 -4.049 -19.628 -1.171
226 HA ARG 24 HA ARG 24 -2.983 -21.542 -0.558
227 HB2 ARG 24 2HB ARG 24 -3.692 -20.249 1.976
228 HB3 ARG 24 3HB ARG 24 -3.477 -21.990 2.108
229 HG2 ARG 24 2HG ARG 24 -1.463 -20.064 0.966
230 HG3 ARG 24 3HG ARG 24 -1.416 -20.766 2.584
231 HD2 ARG 24 2HD ARG 24 -1.708 -22.943 0.881
232 HD3 ARG 24 3HD ARG 24 -0.566 -21.885 0.054
233 HE ARG 24 HE ARG 24 0.146 -22.156 2.776
234 HH11 ARG 24 1HH1 ARG 24 0.141 -23.903 -0.235
235 HH12 ARG 24 2HH1 ARG 24 1.497 -24.895 0.188
236 HH21 ARG 24 1HH2 ARG 24 1.932 -23.456 3.344
237 HH22 ARG 24 2HH2 ARG 24 2.515 -24.640 2.224
Start of MODEL 12
1 H1 TRP 1 H TRP 1 2.690 0.418 0.970
2 HA TRP 1 HA TRP 1 3.957 -0.054 -0.989
3 HB2 TRP 1 2HB TRP 1 2.408 -2.299 -1.006
4 HB3 TRP 1 3HB TRP 1 1.759 -1.428 -2.393
5 HD1 TRP 1 HD1 TRP 1 2.911 -2.081 -4.570
6 HE1 TRP 1 HE1 TRP 1 5.256 -2.890 -5.259
7 HE3 TRP 1 HE3 TRP 1 5.170 -2.020 0.016
8 HZ2 TRP 1 HZ2 TRP 1 7.735 -3.430 -4.021
9 HZ3 TRP 1 HZ3 TRP 1 7.530 -2.698 0.177
10 HH2 TRP 1 HH2 TRP 1 8.784 -3.388 -1.801
11 H TRP 2 H TRP 2 4.002 1.915 -1.849
12 HA TRP 2 HA TRP 2 1.516 3.162 -2.750
13 HB2 TRP 2 2HB TRP 2 2.452 5.056 -2.019
14 HB3 TRP 2 3HB TRP 2 3.867 4.135 -1.515
15 HD1 TRP 2 HD1 TRP 2 2.775 6.748 -3.947
16 HE1 TRP 2 HE1 TRP 2 4.725 7.364 -5.511
17 HE3 TRP 2 HE3 TRP 2 5.991 2.953 -2.769
18 HZ2 TRP 2 HZ2 TRP 2 7.287 6.373 -6.159
19 HZ3 TRP 2 HZ3 TRP 2 8.171 2.859 -3.906
20 HH2 TRP 2 HH2 TRP 2 8.803 4.534 -5.566
21 H TRP 3 H TRP 3 4.326 1.618 -3.975
22 HA TRP 3 HA TRP 3 4.092 2.781 -6.622
23 HB2 TRP 3 2HB TRP 3 6.194 1.683 -5.213
24 HB3 TRP 3 3HB TRP 3 5.790 0.410 -6.362
25 HD1 TRP 3 HD1 TRP 3 5.523 4.148 -7.223
26 HE1 TRP 3 HE1 TRP 3 7.202 4.669 -9.103
27 HE3 TRP 3 HE3 TRP 3 7.917 -0.364 -7.445
28 HZ2 TRP 3 HZ2 TRP 3 9.268 3.342 -10.496
29 HZ3 TRP 3 HZ3 TRP 3 9.733 -0.656 -9.080
30 HH2 TRP 3 HH2 TRP 3 10.392 1.159 -10.573
31 H LYS 4 H LYS 4 2.013 0.981 -5.256
32 HA LYS 4 HA LYS 4 1.841 -1.478 -6.549
33 HB2 LYS 4 2HB LYS 4 0.409 -0.654 -4.642
34 HB3 LYS 4 3HB LYS 4 -0.510 0.273 -5.820
35 HG2 LYS 4 2HG LYS 4 -1.818 -1.527 -5.934
36 HG3 LYS 4 3HG LYS 4 -0.532 -2.225 -6.922
37 HD2 LYS 4 2HD LYS 4 -0.812 -3.872 -5.341
38 HD3 LYS 4 3HD LYS 4 0.464 -2.907 -4.595
39 HE2 LYS 4 2HE LYS 4 -1.434 -1.646 -3.428
40 HE3 LYS 4 3HE LYS 4 -2.465 -2.984 -3.933
41 HZ1 LYS 4 3HZ LYS 4 -1.410 -3.115 -1.641
42 HZ2 LYS 4 1HZ LYS 4 0.044 -3.444 -2.439
43 HZ3 LYS 4 2HZ LYS 4 -1.277 -4.484 -2.625
44 H TYR 5 H TYR 5 1.424 1.687 -7.792
45 HA TYR 5 HA TYR 5 -0.366 1.263 -9.889
46 HB2 TYR 5 2HB TYR 5 2.040 3.084 -10.015
47 HB3 TYR 5 3HB TYR 5 0.512 3.262 -10.872
48 HD1 TYR 5 HD2 TYR 5 -1.508 2.935 -8.853
49 HD2 TYR 5 HD1 TYR 5 2.278 4.852 -8.548
50 HE1 TYR 5 HE2 TYR 5 -2.372 4.338 -7.027
51 HE2 TYR 5 HE1 TYR 5 1.425 6.260 -6.721
52 HH TYR 5 HH TYR 5 -0.644 5.864 -4.906
53 H GLU 6 H GLU 6 2.983 0.383 -9.542
54 HA GLU 6 HA GLU 6 3.212 -0.341 -12.357
55 HB2 GLU 6 2HB GLU 6 5.330 -0.895 -10.312
56 HB3 GLU 6 3HB GLU 6 5.507 -0.532 -12.023
57 HG2 GLU 6 2HG GLU 6 4.380 1.761 -11.112
58 HG3 GLU 6 3HG GLU 6 5.340 1.266 -9.719
59 H ILE 7 H ILE 7 1.835 -1.719 -9.775
60 HA ILE 7 HA ILE 7 2.789 -4.435 -10.342
61 HB ILE 7 HB ILE 7 1.316 -3.226 -8.029
62 HG12 ILE 7 2HG1 ILE 7 3.799 -3.329 -8.045
63 HG13 ILE 7 3HG1 ILE 7 3.087 -4.265 -6.736
64 HG21 ILE 7 1HG2 ILE 7 -0.049 -5.056 -8.215
65 HG22 ILE 7 2HG2 ILE 7 1.194 -6.042 -8.982
66 HG23 ILE 7 3HG2 ILE 7 1.259 -5.735 -7.247
67 HD11 ILE 7 3HD1 ILE 7 4.890 -5.507 -7.683
68 HD12 ILE 7 1HD1 ILE 7 3.377 -6.303 -8.115
69 HD13 ILE 7 2HD1 ILE 7 4.229 -5.321 -9.307
70 H THR 8 H THR 8 -0.120 -2.445 -10.296
71 HA THR 8 HA THR 8 -2.099 -4.286 -10.730
72 HB THR 8 HB THR 8 -3.410 -2.579 -11.742
73 HG1 THR 8 HG1 THR 8 -2.282 -0.603 -12.472
74 HG21 THR 8 3HG2 THR 8 -3.182 -0.768 -10.212
75 HG22 THR 8 1HG2 THR 8 -1.465 -1.092 -9.983
76 HG23 THR 8 2HG2 THR 8 -2.666 -2.222 -9.358
77 H THR 9 H THR 9 0.359 -3.212 -12.960
78 HA THR 9 HA THR 9 -0.726 -3.990 -15.392
79 HB THR 9 HB THR 9 1.294 -2.816 -15.538
80 HG1 THR 9 HG1 THR 9 2.402 -4.103 -16.897
81 HG21 THR 9 3HG2 THR 9 2.875 -2.918 -13.972
82 HG22 THR 9 1HG2 THR 9 3.215 -4.602 -14.371
83 HG23 THR 9 2HG2 THR 9 1.968 -4.210 -13.187
84 H ILE 10 H ILE 10 1.345 -5.921 -13.223
85 HA ILE 10 HA ILE 10 0.714 -8.328 -14.733
86 HB ILE 10 HB ILE 10 2.414 -9.422 -13.542
87 HG12 ILE 10 2HG1 ILE 10 1.520 -8.411 -11.305
88 HG13 ILE 10 3HG1 ILE 10 3.212 -8.882 -11.426
89 HG21 ILE 10 1HG2 ILE 10 4.331 -7.747 -13.560
90 HG22 ILE 10 2HG2 ILE 10 3.435 -7.954 -15.064
91 HG23 ILE 10 3HG2 ILE 10 3.131 -6.549 -14.043
92 HD11 ILE 10 3HD1 ILE 10 2.608 -6.103 -12.172
93 HD12 ILE 10 1HD1 ILE 10 2.372 -6.518 -10.474
94 HD13 ILE 10 2HD1 ILE 10 3.944 -6.768 -11.233
95 H HIS 11 H HIS 11 -0.252 -6.712 -11.848
96 HA HIS 11 HA HIS 11 -1.150 -8.799 -10.255
97 HB2 HIS 11 2HB HIS 11 -1.095 -6.420 -9.562
98 HB3 HIS 11 3HB HIS 11 -2.469 -6.099 -10.617
99 HD1 HIS 11 HD1 HIS 11 -2.129 -9.062 -8.288
100 HD2 HIS 11 HD2 HIS 11 -4.371 -5.590 -8.717
101 HE1 HIS 11 HE1 HIS 11 -3.931 -9.204 -6.539
102 H ASN 12 H ASN 12 -2.337 -7.707 -13.277
103 HA ASN 12 HA ASN 12 -5.016 -8.675 -12.988
104 HB2 ASN 12 2HB ASN 12 -3.391 -7.439 -15.111
105 HB3 ASN 12 3HB ASN 12 -4.611 -8.571 -15.687
106 HD21 ASN 12 1HD2 ASN 12 -3.998 -5.444 -14.629
107 HD22 ASN 12 2HD2 ASN 12 -5.631 -4.900 -14.483
108 H LEU 13 H LEU 13 -1.993 -10.118 -13.630
109 HA LEU 13 HA LEU 13 -3.332 -12.583 -14.533
110 HB2 LEU 13 2HB LEU 13 -1.510 -13.135 -15.869
111 HB3 LEU 13 3HB LEU 13 -1.731 -11.407 -16.138
112 HG LEU 13 HG LEU 13 0.110 -11.516 -14.076
113 HD11 LEU 13 1HD1 LEU 13 1.588 -13.206 -14.361
114 HD12 LEU 13 2HD1 LEU 13 1.269 -13.346 -16.089
115 HD13 LEU 13 3HD1 LEU 13 0.145 -14.047 -14.926
116 HD21 LEU 13 3HD2 LEU 13 0.762 -11.351 -17.011
117 HD22 LEU 13 1HD2 LEU 13 1.620 -10.600 -15.666
118 HD23 LEU 13 2HD2 LEU 13 0.006 -10.039 -16.104
119 H PHE 14 H PHE 14 -1.324 -11.092 -12.192
120 HA PHE 14 HA PHE 14 -0.128 -13.496 -11.180
121 HB2 PHE 14 2HB PHE 14 -0.008 -10.641 -10.604
122 HB3 PHE 14 3HB PHE 14 -0.017 -11.617 -9.139
123 HD1 PHE 14 HD2 PHE 14 1.761 -13.283 -8.751
124 HD2 PHE 14 HD1 PHE 14 1.874 -10.592 -12.048
125 HE1 PHE 14 HE2 PHE 14 4.158 -13.750 -9.046
126 HE2 PHE 14 HE1 PHE 14 4.271 -11.056 -12.349
127 HZ PHE 14 HZ PHE 14 5.417 -12.636 -10.846
128 H ARG 15 H ARG 15 -3.086 -11.772 -10.667
129 HA ARG 15 HA ARG 15 -3.810 -12.585 -8.119
130 HB2 ARG 15 2HB ARG 15 -6.100 -12.193 -8.777
131 HB3 ARG 15 3HB ARG 15 -5.075 -10.973 -9.521
132 HG2 ARG 15 2HG ARG 15 -6.324 -11.497 -11.327
133 HG3 ARG 15 3HG ARG 15 -5.094 -12.750 -11.505
134 HD2 ARG 15 2HD ARG 15 -6.597 -14.364 -11.212
135 HD3 ARG 15 3HD ARG 15 -7.194 -13.616 -9.731
136 HE ARG 15 HE ARG 15 -8.308 -12.117 -11.698
137 HH11 ARG 15 1HH1 ARG 15 -8.220 -15.530 -11.017
138 HH12 ARG 15 2HH1 ARG 15 -9.764 -15.847 -11.737
139 HH21 ARG 15 1HH2 ARG 15 -10.342 -12.521 -12.649
140 HH22 ARG 15 2HH2 ARG 15 -10.969 -14.134 -12.666
141 H LYS 16 H LYS 16 -3.829 -14.367 -11.128
142 HA LYS 16 HA LYS 16 -5.465 -16.515 -10.374
143 HB2 LYS 16 2HB LYS 16 -4.872 -16.226 -12.681
144 HB3 LYS 16 3HB LYS 16 -3.157 -16.355 -12.315
145 HG2 LYS 16 2HG LYS 16 -4.745 -18.678 -11.504
146 HG3 LYS 16 3HG LYS 16 -4.710 -18.378 -13.243
147 HD2 LYS 16 2HD LYS 16 -2.147 -18.253 -11.735
148 HD3 LYS 16 3HD LYS 16 -2.856 -19.839 -12.052
149 HE2 LYS 16 2HE LYS 16 -1.720 -19.685 -13.988
150 HE3 LYS 16 3HE LYS 16 -3.086 -18.690 -14.490
151 HZ1 LYS 16 3HZ LYS 16 -1.737 -16.967 -14.716
152 HZ2 LYS 16 1HZ LYS 16 -0.414 -17.950 -14.335
153 HZ3 LYS 16 2HZ LYS 16 -1.213 -17.097 -13.113
154 H LEU 17 H LEU 17 -2.197 -15.721 -9.548
155 HA LEU 17 HA LEU 17 -1.679 -18.387 -8.480
156 HB2 LEU 17 2HB LEU 17 0.074 -17.195 -9.747
157 HB3 LEU 17 3HB LEU 17 0.081 -15.939 -8.510
158 HG LEU 17 HG LEU 17 0.521 -18.411 -7.202
159 HD11 LEU 17 1HD1 LEU 17 2.276 -18.018 -9.621
160 HD12 LEU 17 2HD1 LEU 17 1.169 -19.360 -9.336
161 HD13 LEU 17 3HD1 LEU 17 2.584 -19.152 -8.305
162 HD21 LEU 17 3HD2 LEU 17 2.510 -17.358 -6.461
163 HD22 LEU 17 1HD2 LEU 17 1.302 -16.084 -6.633
164 HD23 LEU 17 2HD2 LEU 17 2.550 -16.288 -7.863
165 H THR 18 H THR 18 -2.413 -15.142 -7.433
166 HA THR 18 HA THR 18 -1.699 -15.399 -4.718
167 HB THR 18 HB THR 18 -3.120 -13.467 -4.305
168 HG1 THR 18 HG1 THR 18 -4.909 -13.479 -5.455
169 HG21 THR 18 3HG2 THR 18 -2.208 -11.931 -6.084
170 HG22 THR 18 1HG2 THR 18 -1.555 -13.363 -6.879
171 HG23 THR 18 2HG2 THR 18 -1.006 -12.925 -5.261
172 H HIS 19 H HIS 19 -4.639 -16.192 -6.488
173 HA HIS 19 HA HIS 19 -6.307 -16.676 -4.275
174 HB2 HIS 19 2HB HIS 19 -7.074 -16.428 -6.644
175 HB3 HIS 19 3HB HIS 19 -6.429 -18.033 -6.976
176 HD1 HIS 19 HD1 HIS 19 -8.053 -17.678 -3.693
177 HD2 HIS 19 HD2 HIS 19 -9.150 -18.761 -7.551
178 HE1 HIS 19 HE1 HIS 19 -10.290 -18.804 -3.465
179 H ARG 20 H ARG 20 -3.769 -18.533 -5.717
180 HA ARG 20 HA ARG 20 -4.524 -20.893 -4.139
181 HB2 ARG 20 2HB ARG 20 -3.029 -22.163 -5.551
182 HB3 ARG 20 3HB ARG 20 -4.120 -21.226 -6.562
183 HG2 ARG 20 2HG ARG 20 -2.407 -19.642 -7.066
184 HG3 ARG 20 3HG ARG 20 -1.318 -20.368 -5.882
185 HD2 ARG 20 2HD ARG 20 -2.312 -21.599 -8.448
186 HD3 ARG 20 3HD ARG 20 -0.665 -21.090 -8.078
187 HE ARG 20 HE ARG 20 -1.208 -22.927 -6.160
188 HH11 ARG 20 1HH1 ARG 20 -1.409 -22.937 -9.635
189 HH12 ARG 20 2HH1 ARG 20 -1.088 -24.634 -9.779
190 HH21 ARG 20 1HH2 ARG 20 -0.784 -25.162 -6.336
191 HH22 ARG 20 2HH2 ARG 20 -0.733 -25.898 -7.902
192 H LEU 21 H LEU 21 -2.504 -18.224 -4.062
193 HA LEU 21 HA LEU 21 -0.391 -19.555 -2.548
194 HB2 LEU 21 2HB LEU 21 0.630 -18.056 -3.934
195 HB3 LEU 21 3HB LEU 21 -0.715 -16.918 -3.872
196 HG LEU 21 HG LEU 21 0.005 -16.210 -1.632
197 HD11 LEU 21 1HD1 LEU 21 2.654 -17.241 -1.618
198 HD12 LEU 21 2HD1 LEU 21 1.529 -18.593 -1.745
199 HD13 LEU 21 3HD1 LEU 21 1.381 -17.445 -0.414
200 HD21 LEU 21 3HD2 LEU 21 2.174 -16.091 -3.725
201 HD22 LEU 21 1HD2 LEU 21 2.027 -15.023 -2.329
202 HD23 LEU 21 2HD2 LEU 21 0.796 -14.998 -3.591
203 H PHE 22 H PHE 22 -3.041 -17.296 -2.133
204 HA PHE 22 HA PHE 22 -2.366 -16.853 0.663
205 HB2 PHE 22 2HB PHE 22 -4.429 -15.718 -1.203
206 HB3 PHE 22 3HB PHE 22 -4.568 -15.486 0.536
207 HD1 PHE 22 HD2 PHE 22 -2.793 -14.253 1.757
208 HD2 PHE 22 HD1 PHE 22 -2.885 -14.481 -2.492
209 HE1 PHE 22 HE2 PHE 22 -1.258 -12.335 1.625
210 HE2 PHE 22 HE1 PHE 22 -1.349 -12.564 -2.631
211 HZ PHE 22 HZ PHE 22 -0.535 -11.487 -0.571
212 H ARG 23 H ARG 23 -4.505 -18.760 -1.282
213 HA ARG 23 HA ARG 23 -6.061 -19.567 1.065
214 HB2 ARG 23 2HB ARG 23 -6.510 -20.389 -1.804
215 HB3 ARG 23 3HB ARG 23 -7.634 -20.534 -0.459
216 HG2 ARG 23 2HG ARG 23 -6.652 -17.919 -1.578
217 HG3 ARG 23 3HG ARG 23 -8.173 -18.695 -2.023
218 HD2 ARG 23 2HD ARG 23 -8.854 -18.619 0.357
219 HD3 ARG 23 3HD ARG 23 -7.371 -17.738 0.722
220 HE ARG 23 HE ARG 23 -8.778 -16.405 -1.319
221 HH11 ARG 23 1HH1 ARG 23 -8.959 -17.079 2.092
222 HH12 ARG 23 2HH1 ARG 23 -9.845 -15.638 2.462
223 HH21 ARG 23 1HH2 ARG 23 -9.945 -14.504 -0.844
224 HH22 ARG 23 2HH2 ARG 23 -10.406 -14.174 0.792
225 H ARG 24 H ARG 24 -3.640 -20.691 -1.144
226 HA ARG 24 HA ARG 24 -3.444 -23.180 0.384
227 HB2 ARG 24 2HB ARG 24 -4.025 -22.923 -2.506
228 HB3 ARG 24 3HB ARG 24 -2.802 -24.110 -2.072
229 HG2 ARG 24 2HG ARG 24 -4.316 -25.536 -1.278
230 HG3 ARG 24 3HG ARG 24 -5.173 -24.270 -0.396
231 HD2 ARG 24 2HD ARG 24 -6.461 -23.687 -2.275
232 HD3 ARG 24 3HD ARG 24 -5.400 -24.564 -3.376
233 HE ARG 24 HE ARG 24 -6.459 -26.416 -1.593
234 HH11 ARG 24 1HH1 ARG 24 -7.585 -24.257 -4.081
235 HH12 ARG 24 2HH1 ARG 24 -8.936 -25.252 -4.514
236 HH21 ARG 24 1HH2 ARG 24 -8.234 -27.734 -2.154
237 HH22 ARG 24 2HH2 ARG 24 -9.305 -27.229 -3.416
Start of MODEL 13
1 H1 TRP 1 H TRP 1 1.522 0.455 0.715
2 HA TRP 1 HA TRP 1 3.123 0.006 -1.023
3 HB2 TRP 1 2HB TRP 1 1.609 -2.246 -1.331
4 HB3 TRP 1 3HB TRP 1 1.175 -1.338 -2.777
5 HD1 TRP 1 HD1 TRP 1 2.576 -2.203 -4.727
6 HE1 TRP 1 HE1 TRP 1 5.033 -2.878 -5.085
7 HE3 TRP 1 HE3 TRP 1 4.287 -1.607 0.054
8 HZ2 TRP 1 HZ2 TRP 1 7.386 -3.125 -3.545
9 HZ3 TRP 1 HZ3 TRP 1 6.653 -2.084 0.527
10 HH2 TRP 1 HH2 TRP 1 8.169 -2.828 -1.236
11 H TRP 2 H TRP 2 3.253 2.018 -1.777
12 HA TRP 2 HA TRP 2 0.915 3.298 -2.956
13 HB2 TRP 2 2HB TRP 2 1.803 5.136 -2.047
14 HB3 TRP 2 3HB TRP 2 3.196 4.201 -1.509
15 HD1 TRP 2 HD1 TRP 2 2.163 6.822 -4.001
16 HE1 TRP 2 HE1 TRP 2 4.205 7.541 -5.393
17 HE3 TRP 2 HE3 TRP 2 5.458 3.195 -2.542
18 HZ2 TRP 2 HZ2 TRP 2 6.861 6.684 -5.817
19 HZ3 TRP 2 HZ3 TRP 2 7.729 3.216 -3.488
20 HH2 TRP 2 HH2 TRP 2 8.414 4.924 -5.092
21 H TRP 3 H TRP 3 3.883 1.806 -3.901
22 HA TRP 3 HA TRP 3 3.852 2.965 -6.561
23 HB2 TRP 3 2HB TRP 3 5.866 1.997 -4.970
24 HB3 TRP 3 3HB TRP 3 5.619 0.666 -6.097
25 HD1 TRP 3 HD1 TRP 3 5.385 4.420 -6.984
26 HE1 TRP 3 HE1 TRP 3 7.149 4.926 -8.789
27 HE3 TRP 3 HE3 TRP 3 7.696 -0.137 -7.161
28 HZ2 TRP 3 HZ2 TRP 3 9.242 3.573 -10.113
29 HZ3 TRP 3 HZ3 TRP 3 9.571 -0.448 -8.724
30 HH2 TRP 3 HH2 TRP 3 10.326 1.369 -10.169
31 H LYS 4 H LYS 4 1.684 1.152 -5.465
32 HA LYS 4 HA LYS 4 1.737 -1.348 -6.694
33 HB2 LYS 4 2HB LYS 4 0.018 -0.236 -5.041
34 HB3 LYS 4 3HB LYS 4 -0.822 0.194 -6.526
35 HG2 LYS 4 2HG LYS 4 -0.938 -2.158 -7.154
36 HG3 LYS 4 3HG LYS 4 -0.073 -2.599 -5.680
37 HD2 LYS 4 2HD LYS 4 -2.274 -0.955 -4.954
38 HD3 LYS 4 3HD LYS 4 -2.864 -2.206 -6.051
39 HE2 LYS 4 2HE LYS 4 -1.490 -3.817 -4.565
40 HE3 LYS 4 3HE LYS 4 -1.516 -2.502 -3.391
41 HZ1 LYS 4 3HZ LYS 4 -3.385 -4.340 -3.469
42 HZ2 LYS 4 1HZ LYS 4 -4.059 -3.276 -4.599
43 HZ3 LYS 4 2HZ LYS 4 -3.727 -2.742 -3.030
44 H TYR 5 H TYR 5 1.427 1.772 -8.070
45 HA TYR 5 HA TYR 5 -0.068 1.257 -10.367
46 HB2 TYR 5 2HB TYR 5 2.302 3.122 -10.231
47 HB3 TYR 5 3HB TYR 5 0.900 3.246 -11.287
48 HD1 TYR 5 HD2 TYR 5 -1.358 2.910 -9.522
49 HD2 TYR 5 HD1 TYR 5 2.307 4.955 -8.820
50 HE1 TYR 5 HE2 TYR 5 -2.481 4.344 -7.869
51 HE2 TYR 5 HE1 TYR 5 1.194 6.393 -7.164
52 HH TYR 5 HH TYR 5 -0.675 6.735 -5.982
53 H GLU 6 H GLU 6 3.192 0.399 -9.546
54 HA GLU 6 HA GLU 6 3.814 -0.369 -12.293
55 HB2 GLU 6 2HB GLU 6 5.624 -0.821 -9.942
56 HB3 GLU 6 3HB GLU 6 6.049 -0.568 -11.629
57 HG2 GLU 6 2HG GLU 6 4.914 1.524 -9.786
58 HG3 GLU 6 3HG GLU 6 6.613 1.353 -10.222
59 H ILE 7 H ILE 7 2.280 -1.707 -9.688
60 HA ILE 7 HA ILE 7 3.213 -4.432 -10.256
61 HB ILE 7 HB ILE 7 1.738 -3.224 -7.939
62 HG12 ILE 7 2HG1 ILE 7 4.220 -3.289 -7.950
63 HG13 ILE 7 3HG1 ILE 7 3.522 -4.241 -6.645
64 HG21 ILE 7 1HG2 ILE 7 0.401 -5.098 -8.239
65 HG22 ILE 7 2HG2 ILE 7 1.742 -6.083 -8.821
66 HG23 ILE 7 3HG2 ILE 7 1.631 -5.668 -7.111
67 HD11 ILE 7 3HD1 ILE 7 3.845 -6.269 -8.033
68 HD12 ILE 7 1HD1 ILE 7 4.682 -5.269 -9.220
69 HD13 ILE 7 2HD1 ILE 7 5.345 -5.452 -7.595
70 H THR 8 H THR 8 0.323 -2.414 -10.197
71 HA THR 8 HA THR 8 -1.671 -4.244 -10.632
72 HB THR 8 HB THR 8 -2.019 -1.790 -10.383
73 HG1 THR 8 HG1 THR 8 -3.912 -1.945 -11.411
74 HG21 THR 8 3HG2 THR 8 -0.247 -1.396 -12.303
75 HG22 THR 8 1HG2 THR 8 -1.569 -0.261 -12.034
76 HG23 THR 8 2HG2 THR 8 -1.683 -1.458 -13.324
77 H THR 9 H THR 9 0.841 -3.261 -12.812
78 HA THR 9 HA THR 9 -0.257 -3.947 -15.275
79 HB THR 9 HB THR 9 1.813 -2.846 -15.366
80 HG1 THR 9 HG1 THR 9 2.800 -4.114 -16.801
81 HG21 THR 9 3HG2 THR 9 3.643 -4.752 -14.243
82 HG22 THR 9 1HG2 THR 9 2.410 -4.334 -13.054
83 HG23 THR 9 2HG2 THR 9 3.382 -3.065 -13.799
84 H ILE 10 H ILE 10 1.638 -5.983 -13.049
85 HA ILE 10 HA ILE 10 0.898 -8.347 -14.603
86 HB ILE 10 HB ILE 10 2.596 -9.529 -13.492
87 HG12 ILE 10 2HG1 ILE 10 1.860 -8.516 -11.212
88 HG13 ILE 10 3HG1 ILE 10 3.534 -9.019 -11.419
89 HG21 ILE 10 1HG2 ILE 10 4.581 -7.907 -13.565
90 HG22 ILE 10 2HG2 ILE 10 3.646 -8.135 -15.042
91 HG23 ILE 10 3HG2 ILE 10 3.397 -6.695 -14.055
92 HD11 ILE 10 3HD1 ILE 10 2.711 -6.607 -10.464
93 HD12 ILE 10 1HD1 ILE 10 4.302 -6.946 -11.143
94 HD13 ILE 10 2HD1 ILE 10 3.043 -6.241 -12.156
95 H HIS 11 H HIS 11 0.119 -6.707 -11.681
96 HA HIS 11 HA HIS 11 -0.795 -8.762 -10.054
97 HB2 HIS 11 2HB HIS 11 -0.614 -6.376 -9.378
98 HB3 HIS 11 3HB HIS 11 -2.037 -6.019 -10.352
99 HD1 HIS 11 HD1 HIS 11 -2.082 -9.180 -8.421
100 HD2 HIS 11 HD2 HIS 11 -3.372 -5.258 -7.961
101 HE1 HIS 11 HE1 HIS 11 -3.671 -9.219 -6.472
102 H ASN 12 H ASN 12 -2.065 -7.604 -13.020
103 HA ASN 12 HA ASN 12 -4.764 -8.479 -12.619
104 HB2 ASN 12 2HB ASN 12 -3.171 -7.430 -14.914
105 HB3 ASN 12 3HB ASN 12 -4.658 -8.305 -15.267
106 HD21 ASN 12 1HD2 ASN 12 -3.584 -5.899 -12.884
107 HD22 ASN 12 2HD2 ASN 12 -4.933 -4.841 -13.096
108 H LEU 13 H LEU 13 -1.834 -10.035 -13.345
109 HA LEU 13 HA LEU 13 -3.290 -12.426 -14.267
110 HB2 LEU 13 2HB LEU 13 -1.969 -12.293 -16.057
111 HB3 LEU 13 3HB LEU 13 -0.923 -11.097 -15.296
112 HG LEU 13 HG LEU 13 -0.656 -13.987 -14.572
113 HD11 LEU 13 1HD1 LEU 13 0.665 -14.500 -16.400
114 HD12 LEU 13 2HD1 LEU 13 0.913 -12.807 -16.828
115 HD13 LEU 13 3HD1 LEU 13 -0.647 -13.572 -17.128
116 HD21 LEU 13 3HD2 LEU 13 0.981 -13.135 -13.340
117 HD22 LEU 13 1HD2 LEU 13 0.710 -11.529 -14.017
118 HD23 LEU 13 2HD2 LEU 13 1.804 -12.653 -14.824
119 H PHE 14 H PHE 14 -1.056 -11.071 -12.009
120 HA PHE 14 HA PHE 14 -0.022 -13.553 -11.029
121 HB2 PHE 14 2HB PHE 14 0.281 -10.705 -10.409
122 HB3 PHE 14 3HB PHE 14 0.342 -11.741 -8.987
123 HD1 PHE 14 HD1 PHE 14 2.066 -13.496 -8.810
124 HD2 PHE 14 HD2 PHE 14 2.046 -10.670 -11.993
125 HE1 PHE 14 HE1 PHE 14 4.410 -14.051 -9.313
126 HE2 PHE 14 HE2 PHE 14 4.390 -11.221 -12.501
127 HZ PHE 14 HZ PHE 14 5.575 -12.913 -11.161
128 H ARG 15 H ARG 15 -2.832 -11.630 -10.409
129 HA ARG 15 HA ARG 15 -3.513 -12.398 -7.833
130 HB2 ARG 15 2HB ARG 15 -5.819 -11.887 -8.438
131 HB3 ARG 15 3HB ARG 15 -4.725 -10.687 -9.113
132 HG2 ARG 15 2HG ARG 15 -5.886 -11.017 -10.995
133 HG3 ARG 15 3HG ARG 15 -4.881 -12.458 -11.160
134 HD2 ARG 15 2HD ARG 15 -6.569 -13.873 -10.561
135 HD3 ARG 15 3HD ARG 15 -7.353 -12.675 -9.532
136 HE ARG 15 HE ARG 15 -7.535 -11.871 -12.225
137 HH11 ARG 15 1HH1 ARG 15 -8.800 -14.248 -10.019
138 HH12 ARG 15 2HH1 ARG 15 -10.303 -14.424 -10.864
139 HH21 ARG 15 1HH2 ARG 15 -9.509 -12.093 -13.346
140 HH22 ARG 15 2HH2 ARG 15 -10.705 -13.198 -12.757
141 H LYS 16 H LYS 16 -3.722 -14.174 -10.828
142 HA LYS 16 HA LYS 16 -5.484 -16.209 -9.974
143 HB2 LYS 16 2HB LYS 16 -4.791 -15.685 -12.354
144 HB3 LYS 16 3HB LYS 16 -3.278 -16.514 -12.012
145 HG2 LYS 16 2HG LYS 16 -5.000 -18.407 -11.226
146 HG3 LYS 16 3HG LYS 16 -5.983 -17.603 -12.452
147 HD2 LYS 16 2HD LYS 16 -4.318 -17.970 -14.128
148 HD3 LYS 16 3HD LYS 16 -3.160 -18.546 -12.927
149 HE2 LYS 16 2HE LYS 16 -3.963 -20.620 -13.041
150 HE3 LYS 16 3HE LYS 16 -5.618 -20.055 -12.812
151 HZ1 LYS 16 3HZ LYS 16 -5.777 -19.606 -15.161
152 HZ2 LYS 16 1HZ LYS 16 -5.309 -21.215 -14.928
153 HZ3 LYS 16 2HZ LYS 16 -4.166 -20.062 -15.403
154 H LEU 17 H LEU 17 -2.093 -15.656 -9.471
155 HA LEU 17 HA LEU 17 -1.607 -18.360 -8.535
156 HB2 LEU 17 2HB LEU 17 0.139 -17.226 -9.773
157 HB3 LEU 17 3HB LEU 17 0.150 -15.911 -8.598
158 HG LEU 17 HG LEU 17 0.671 -18.165 -7.075
159 HD11 LEU 17 1HD1 LEU 17 2.585 -18.353 -9.341
160 HD12 LEU 17 2HD1 LEU 17 1.031 -19.173 -9.481
161 HD13 LEU 17 3HD1 LEU 17 2.118 -19.566 -8.149
162 HD21 LEU 17 3HD2 LEU 17 2.002 -16.498 -6.406
163 HD22 LEU 17 1HD2 LEU 17 2.060 -15.775 -8.014
164 HD23 LEU 17 2HD2 LEU 17 3.142 -17.107 -7.607
165 H THR 18 H THR 18 -2.190 -15.169 -7.231
166 HA THR 18 HA THR 18 -1.381 -15.652 -4.575
167 HB THR 18 HB THR 18 -2.703 -13.702 -3.963
168 HG1 THR 18 HG1 THR 18 -4.477 -13.338 -5.043
169 HG21 THR 18 3HG2 THR 18 -1.802 -12.077 -5.672
170 HG22 THR 18 1HG2 THR 18 -1.234 -13.474 -6.586
171 HG23 THR 18 2HG2 THR 18 -0.610 -13.167 -4.965
172 H HIS 19 H HIS 19 -4.419 -16.198 -6.270
173 HA HIS 19 HA HIS 19 -6.016 -16.780 -4.030
174 HB2 HIS 19 2HB HIS 19 -6.194 -17.198 -6.950
175 HB3 HIS 19 3HB HIS 19 -7.157 -18.296 -5.967
176 HD1 HIS 19 HD1 HIS 19 -8.382 -16.632 -3.879
177 HD2 HIS 19 HD2 HIS 19 -7.805 -15.187 -7.732
178 HE1 HIS 19 HE1 HIS 19 -10.020 -14.742 -4.141
179 H ARG 20 H ARG 20 -3.618 -18.623 -5.709
180 HA ARG 20 HA ARG 20 -4.408 -21.061 -4.274
181 HB2 ARG 20 2HB ARG 20 -3.023 -22.281 -5.835
182 HB3 ARG 20 3HB ARG 20 -4.112 -21.229 -6.730
183 HG2 ARG 20 2HG ARG 20 -2.355 -19.681 -7.190
184 HG3 ARG 20 3HG ARG 20 -1.253 -20.533 -6.107
185 HD2 ARG 20 2HD ARG 20 -2.398 -21.539 -8.707
186 HD3 ARG 20 3HD ARG 20 -0.719 -21.113 -8.378
187 HE ARG 20 HE ARG 20 -1.328 -23.077 -6.566
188 HH11 ARG 20 1HH1 ARG 20 -1.371 -22.780 -10.034
189 HH12 ARG 20 2HH1 ARG 20 -1.045 -24.459 -10.312
190 HH21 ARG 20 1HH2 ARG 20 -0.898 -25.289 -6.919
191 HH22 ARG 20 2HH2 ARG 20 -0.777 -25.885 -8.540
192 H LEU 21 H LEU 21 -2.276 -18.484 -4.090
193 HA LEU 21 HA LEU 21 -0.163 -20.005 -2.767
194 HB2 LEU 21 2HB LEU 21 0.864 -18.447 -4.082
195 HB3 LEU 21 3HB LEU 21 -0.429 -17.266 -3.881
196 HG LEU 21 HG LEU 21 0.407 -16.755 -1.627
197 HD11 LEU 21 1HD1 LEU 21 1.848 -18.056 -0.557
198 HD12 LEU 21 2HD1 LEU 21 3.009 -17.944 -1.880
199 HD13 LEU 21 3HD1 LEU 21 1.759 -19.188 -1.907
200 HD21 LEU 21 3HD2 LEU 21 1.234 -15.654 -3.805
201 HD22 LEU 21 1HD2 LEU 21 2.724 -16.552 -3.516
202 HD23 LEU 21 2HD2 LEU 21 2.153 -15.384 -2.323
203 H PHE 22 H PHE 22 -2.701 -17.685 -2.078
204 HA PHE 22 HA PHE 22 -1.899 -17.479 0.714
205 HB2 PHE 22 2HB PHE 22 -3.981 -16.122 -0.976
206 HB3 PHE 22 3HB PHE 22 -4.039 -16.014 0.780
207 HD1 PHE 22 HD2 PHE 22 -2.161 -14.952 2.009
208 HD2 PHE 22 HD1 PHE 22 -2.436 -14.858 -2.238
209 HE1 PHE 22 HE2 PHE 22 -0.548 -13.096 1.949
210 HE2 PHE 22 HE1 PHE 22 -0.822 -13.002 -2.305
211 HZ PHE 22 HZ PHE 22 0.123 -12.118 -0.210
212 H ARG 23 H ARG 23 -4.222 -19.114 -1.279
213 HA ARG 23 HA ARG 23 -5.698 -20.052 1.071
214 HB2 ARG 23 2HB ARG 23 -6.342 -20.609 -1.823
215 HB3 ARG 23 3HB ARG 23 -7.402 -20.784 -0.431
216 HG2 ARG 23 2HG ARG 23 -6.321 -18.171 -1.464
217 HG3 ARG 23 3HG ARG 23 -7.933 -18.811 -1.792
218 HD2 ARG 23 2HD ARG 23 -7.794 -18.959 0.935
219 HD3 ARG 23 3HD ARG 23 -6.877 -17.492 0.597
220 HE ARG 23 HE ARG 23 -9.374 -17.593 -0.802
221 HH11 ARG 23 1HH1 ARG 23 -7.850 -16.806 2.228
222 HH12 ARG 23 2HH1 ARG 23 -9.079 -15.681 2.703
223 HH21 ARG 23 1HH2 ARG 23 -10.999 -16.115 -0.187
224 HH22 ARG 23 2HH2 ARG 23 -10.870 -15.290 1.329
225 H ARG 24 H ARG 24 -3.467 -21.094 -1.372
226 HA ARG 24 HA ARG 24 -3.427 -23.762 -0.139
227 HB2 ARG 24 2HB ARG 24 -3.897 -23.055 -2.953
228 HB3 ARG 24 3HB ARG 24 -2.660 -24.281 -2.714
229 HG2 ARG 24 2HG ARG 24 -4.215 -25.823 -2.420
230 HG3 ARG 24 3HG ARG 24 -4.892 -24.914 -1.067
231 HD2 ARG 24 2HD ARG 24 -6.090 -23.504 -2.800
232 HD3 ARG 24 3HD ARG 24 -5.605 -24.719 -3.982
233 HE ARG 24 HE ARG 24 -6.813 -26.167 -2.031
234 HH11 ARG 24 1HH1 ARG 24 -7.754 -23.404 -3.928
235 HH12 ARG 24 2HH1 ARG 24 -9.441 -23.796 -3.901
236 HH21 ARG 24 1HH2 ARG 24 -9.031 -26.694 -1.987
237 HH22 ARG 24 2HH2 ARG 24 -10.167 -25.667 -2.795
Start of MODEL 14
1 H1 TRP 1 H TRP 1 0.861 0.685 0.742
2 HA TRP 1 HA TRP 1 2.361 0.528 -0.976
3 HB2 TRP 1 2HB TRP 1 0.879 -1.739 -1.329
4 HB3 TRP 1 3HB TRP 1 0.614 -0.910 -2.861
5 HD1 TRP 1 HD1 TRP 1 2.217 -1.880 -4.593
6 HE1 TRP 1 HE1 TRP 1 4.696 -2.570 -4.639
7 HE3 TRP 1 HE3 TRP 1 3.390 -1.019 0.308
8 HZ2 TRP 1 HZ2 TRP 1 6.862 -2.729 -2.836
9 HZ3 TRP 1 HZ3 TRP 1 5.688 -1.467 1.067
10 HH2 TRP 1 HH2 TRP 1 7.386 -2.304 -0.474
11 H TRP 2 H TRP 2 2.583 2.498 -1.817
12 HA TRP 2 HA TRP 2 0.397 3.709 -3.314
13 HB2 TRP 2 2HB TRP 2 1.188 5.595 -2.413
14 HB3 TRP 2 3HB TRP 2 2.507 4.691 -1.674
15 HD1 TRP 2 HD1 TRP 2 1.772 7.174 -4.401
16 HE1 TRP 2 HE1 TRP 2 3.960 7.818 -5.594
17 HE3 TRP 2 HE3 TRP 2 4.864 3.633 -2.393
18 HZ2 TRP 2 HZ2 TRP 2 6.642 6.941 -5.673
19 HZ3 TRP 2 HZ3 TRP 2 7.227 3.604 -3.080
20 HH2 TRP 2 HH2 TRP 2 8.095 5.224 -4.687
21 H TRP 3 H TRP 3 3.444 2.171 -3.843
22 HA TRP 3 HA TRP 3 3.713 3.187 -6.549
23 HB2 TRP 3 2HB TRP 3 5.534 2.306 -4.695
24 HB3 TRP 3 3HB TRP 3 5.406 0.917 -5.769
25 HD1 TRP 3 HD1 TRP 3 5.295 4.619 -6.874
26 HE1 TRP 3 HE1 TRP 3 7.249 5.027 -8.498
27 HE3 TRP 3 HE3 TRP 3 7.580 0.057 -6.556
28 HZ2 TRP 3 HZ2 TRP 3 9.466 3.603 -9.511
29 HZ3 TRP 3 HZ3 TRP 3 9.613 -0.339 -7.885
30 HH2 TRP 3 HH2 TRP 3 10.534 1.399 -9.332
31 H LYS 4 H LYS 4 1.428 1.433 -5.605
32 HA LYS 4 HA LYS 4 1.603 -1.129 -6.685
33 HB2 LYS 4 2HB LYS 4 -0.263 -0.086 -5.261
34 HB3 LYS 4 3HB LYS 4 -0.909 0.529 -6.776
35 HG2 LYS 4 2HG LYS 4 -1.610 -1.508 -7.467
36 HG3 LYS 4 3HG LYS 4 -0.282 -2.358 -6.673
37 HD2 LYS 4 2HD LYS 4 -1.915 -3.004 -5.251
38 HD3 LYS 4 3HD LYS 4 -1.600 -1.430 -4.516
39 HE2 LYS 4 2HE LYS 4 -3.829 -1.178 -4.770
40 HE3 LYS 4 3HE LYS 4 -3.372 -0.713 -6.408
41 HZ1 LYS 4 3HZ LYS 4 -5.193 -2.506 -6.011
42 HZ2 LYS 4 1HZ LYS 4 -3.872 -3.545 -5.816
43 HZ3 LYS 4 2HZ LYS 4 -4.075 -2.699 -7.266
44 H TYR 5 H TYR 5 1.465 1.912 -8.252
45 HA TYR 5 HA TYR 5 0.233 1.273 -10.671
46 HB2 TYR 5 2HB TYR 5 2.582 3.146 -10.372
47 HB3 TYR 5 3HB TYR 5 1.305 3.211 -11.582
48 HD1 TYR 5 HD2 TYR 5 -1.137 2.972 -10.069
49 HD2 TYR 5 HD1 TYR 5 2.439 5.046 -9.063
50 HE1 TYR 5 HE2 TYR 5 -2.430 4.491 -8.630
51 HE2 TYR 5 HE1 TYR 5 1.156 6.570 -7.620
52 HH TYR 5 HH TYR 5 -1.633 6.034 -6.400
53 H GLU 6 H GLU 6 3.367 0.449 -9.441
54 HA GLU 6 HA GLU 6 4.291 -0.459 -12.058
55 HB2 GLU 6 2HB GLU 6 5.826 -0.780 -9.498
56 HB3 GLU 6 3HB GLU 6 6.437 -0.622 -11.138
57 HG2 GLU 6 2HG GLU 6 5.115 1.569 -9.554
58 HG3 GLU 6 3HG GLU 6 6.852 1.375 -9.786
59 H ILE 7 H ILE 7 2.473 -1.656 -9.569
60 HA ILE 7 HA ILE 7 3.447 -4.407 -9.884
61 HB ILE 7 HB ILE 7 1.734 -3.076 -7.811
62 HG12 ILE 7 2HG1 ILE 7 4.203 -3.138 -7.547
63 HG13 ILE 7 3HG1 ILE 7 3.363 -4.019 -6.276
64 HG21 ILE 7 1HG2 ILE 7 0.430 -4.966 -8.152
65 HG22 ILE 7 2HG2 ILE 7 1.822 -5.979 -8.532
66 HG23 ILE 7 3HG2 ILE 7 1.528 -5.472 -6.868
67 HD11 ILE 7 3HD1 ILE 7 3.826 -6.119 -7.509
68 HD12 ILE 7 1HD1 ILE 7 4.792 -5.183 -8.650
69 HD13 ILE 7 2HD1 ILE 7 5.273 -5.276 -6.956
70 H THR 8 H THR 8 0.585 -2.386 -10.258
71 HA THR 8 HA THR 8 -1.362 -4.240 -10.807
72 HB THR 8 HB THR 8 -1.715 -1.772 -10.727
73 HG1 THR 8 HG1 THR 8 -3.518 -2.538 -11.547
74 HG21 THR 8 3HG2 THR 8 -1.119 -1.574 -13.629
75 HG22 THR 8 1HG2 THR 8 0.244 -1.525 -12.513
76 HG23 THR 8 2HG2 THR 8 -1.052 -0.337 -12.374
77 H THR 9 H THR 9 1.384 -3.382 -12.741
78 HA THR 9 HA THR 9 0.556 -4.194 -15.272
79 HB THR 9 HB THR 9 2.629 -3.096 -15.191
80 HG1 THR 9 HG1 THR 9 3.985 -4.564 -16.228
81 HG21 THR 9 3HG2 THR 9 2.963 -4.465 -12.757
82 HG22 THR 9 1HG2 THR 9 4.018 -3.237 -13.454
83 HG23 THR 9 2HG2 THR 9 4.315 -4.944 -13.781
84 H ILE 10 H ILE 10 2.180 -6.107 -12.744
85 HA ILE 10 HA ILE 10 1.605 -8.551 -14.245
86 HB ILE 10 HB ILE 10 3.164 -9.671 -12.893
87 HG12 ILE 10 2HG1 ILE 10 2.190 -8.540 -10.764
88 HG13 ILE 10 3HG1 ILE 10 3.875 -9.048 -10.760
89 HG21 ILE 10 1HG2 ILE 10 5.153 -8.053 -12.834
90 HG22 ILE 10 2HG2 ILE 10 4.386 -8.365 -14.390
91 HG23 ILE 10 3HG2 ILE 10 4.036 -6.872 -13.519
92 HD11 ILE 10 3HD1 ILE 10 2.957 -6.589 -10.033
93 HD12 ILE 10 1HD1 ILE 10 4.613 -6.962 -10.509
94 HD13 ILE 10 2HD1 ILE 10 3.479 -6.316 -11.695
95 H HIS 11 H HIS 11 0.521 -6.759 -11.514
96 HA HIS 11 HA HIS 11 -0.579 -8.728 -9.894
97 HB2 HIS 11 2HB HIS 11 -0.454 -6.319 -9.311
98 HB3 HIS 11 3HB HIS 11 -1.747 -5.996 -10.462
99 HD1 HIS 11 HD1 HIS 11 -2.037 -9.052 -8.376
100 HD2 HIS 11 HD2 HIS 11 -3.372 -5.118 -8.313
101 HE1 HIS 11 HE1 HIS 11 -3.853 -8.985 -6.637
102 H ASN 12 H ASN 12 -1.505 -7.726 -13.036
103 HA ASN 12 HA ASN 12 -4.241 -8.571 -12.886
104 HB2 ASN 12 2HB ASN 12 -2.401 -7.637 -15.042
105 HB3 ASN 12 3HB ASN 12 -3.844 -8.529 -15.514
106 HD21 ASN 12 1HD2 ASN 12 -3.037 -6.015 -13.138
107 HD22 ASN 12 2HD2 ASN 12 -4.347 -4.967 -13.552
108 H LEU 13 H LEU 13 -1.250 -10.156 -13.256
109 HA LEU 13 HA LEU 13 -2.623 -12.596 -14.177
110 HB2 LEU 13 2HB LEU 13 -1.129 -12.099 -15.885
111 HB3 LEU 13 3HB LEU 13 0.104 -11.520 -14.767
112 HG LEU 13 HG LEU 13 0.478 -13.871 -14.050
113 HD11 LEU 13 1HD1 LEU 13 -0.671 -15.634 -14.860
114 HD12 LEU 13 2HD1 LEU 13 -0.884 -14.907 -16.452
115 HD13 LEU 13 3HD1 LEU 13 -1.925 -14.420 -15.114
116 HD21 LEU 13 3HD2 LEU 13 1.504 -12.550 -16.170
117 HD22 LEU 13 1HD2 LEU 13 0.871 -13.992 -16.965
118 HD23 LEU 13 2HD2 LEU 13 2.038 -14.150 -15.651
119 H PHE 14 H PHE 14 -0.727 -11.104 -11.746
120 HA PHE 14 HA PHE 14 0.286 -13.518 -10.571
121 HB2 PHE 14 2HB PHE 14 0.502 -10.653 -10.088
122 HB3 PHE 14 3HB PHE 14 0.342 -11.570 -8.593
123 HD1 PHE 14 HD2 PHE 14 2.004 -13.307 -8.028
124 HD2 PHE 14 HD1 PHE 14 2.483 -10.735 -11.385
125 HE1 PHE 14 HE2 PHE 14 4.391 -13.894 -8.133
126 HE2 PHE 14 HE1 PHE 14 4.870 -11.318 -11.496
127 HZ PHE 14 HZ PHE 14 5.828 -12.898 -9.868
128 H ARG 15 H ARG 15 -2.621 -11.657 -10.340
129 HA ARG 15 HA ARG 15 -3.541 -12.383 -7.811
130 HB2 ARG 15 2HB ARG 15 -4.727 -10.696 -8.979
131 HB3 ARG 15 3HB ARG 15 -4.989 -11.737 -10.372
132 HG2 ARG 15 2HG ARG 15 -7.017 -11.387 -9.015
133 HG3 ARG 15 3HG ARG 15 -6.550 -13.084 -9.141
134 HD2 ARG 15 2HD ARG 15 -5.485 -12.938 -6.932
135 HD3 ARG 15 3HD ARG 15 -5.992 -11.254 -6.809
136 HE ARG 15 HE ARG 15 -7.627 -13.595 -6.426
137 HH11 ARG 15 1HH1 ARG 15 -7.592 -10.193 -7.164
138 HH12 ARG 15 2HH1 ARG 15 -9.221 -9.929 -6.637
139 HH21 ARG 15 1HH2 ARG 15 -9.773 -13.260 -5.729
140 HH22 ARG 15 2HH2 ARG 15 -10.460 -11.674 -5.820
141 H LYS 16 H LYS 16 -4.010 -14.010 -10.936
142 HA LYS 16 HA LYS 16 -5.622 -16.105 -10.055
143 HB2 LYS 16 2HB LYS 16 -5.123 -15.530 -12.439
144 HB3 LYS 16 3HB LYS 16 -3.533 -16.254 -12.235
145 HG2 LYS 16 2HG LYS 16 -5.149 -18.263 -11.376
146 HG3 LYS 16 3HG LYS 16 -6.145 -17.516 -12.628
147 HD2 LYS 16 2HD LYS 16 -3.608 -17.629 -13.748
148 HD3 LYS 16 3HD LYS 16 -3.767 -19.158 -12.880
149 HE2 LYS 16 2HE LYS 16 -6.036 -19.378 -14.014
150 HE3 LYS 16 3HE LYS 16 -5.523 -18.052 -15.057
151 HZ1 LYS 16 3HZ LYS 16 -3.534 -19.439 -15.603
152 HZ2 LYS 16 1HZ LYS 16 -5.005 -20.057 -16.166
153 HZ3 LYS 16 2HZ LYS 16 -4.275 -20.728 -14.796
154 H LEU 17 H LEU 17 -2.255 -15.534 -9.588
155 HA LEU 17 HA LEU 17 -1.627 -18.279 -8.932
156 HB2 LEU 17 2HB LEU 17 0.005 -16.719 -9.978
157 HB3 LEU 17 3HB LEU 17 0.014 -15.792 -8.479
158 HG LEU 17 HG LEU 17 0.827 -17.910 -7.341
159 HD11 LEU 17 1HD1 LEU 17 0.750 -19.767 -8.564
160 HD12 LEU 17 2HD1 LEU 17 2.153 -19.139 -9.428
161 HD13 LEU 17 3HD1 LEU 17 0.532 -18.864 -10.064
162 HD21 LEU 17 3HD2 LEU 17 2.295 -16.031 -7.788
163 HD22 LEU 17 1HD2 LEU 17 2.562 -16.604 -9.435
164 HD23 LEU 17 2HD2 LEU 17 3.147 -17.551 -8.066
165 H THR 18 H THR 18 -2.409 -15.305 -7.254
166 HA THR 18 HA THR 18 -1.643 -16.080 -4.658
167 HB THR 18 HB THR 18 -2.943 -14.258 -3.842
168 HG1 THR 18 HG1 THR 18 -4.715 -13.529 -4.831
169 HG21 THR 18 3HG2 THR 18 -1.997 -12.490 -5.001
170 HG22 THR 18 1HG2 THR 18 -2.241 -13.253 -6.572
171 HG23 THR 18 2HG2 THR 18 -0.971 -13.836 -5.495
172 H HIS 19 H HIS 19 -4.678 -16.456 -6.437
173 HA HIS 19 HA HIS 19 -6.232 -17.464 -4.330
174 HB2 HIS 19 2HB HIS 19 -7.012 -16.687 -6.633
175 HB3 HIS 19 3HB HIS 19 -6.541 -18.280 -7.218
176 HD1 HIS 19 HD1 HIS 19 -8.592 -19.617 -7.507
177 HD2 HIS 19 HD2 HIS 19 -8.746 -17.291 -4.068
178 HE1 HIS 19 HE1 HIS 19 -10.769 -20.206 -6.394
179 H ARG 20 H ARG 20 -3.647 -18.860 -6.062
180 HA ARG 20 HA ARG 20 -4.398 -21.559 -5.162
181 HB2 ARG 20 2HB ARG 20 -2.231 -20.871 -7.144
182 HB3 ARG 20 3HB ARG 20 -2.956 -22.445 -6.842
183 HG2 ARG 20 2HG ARG 20 -4.423 -20.084 -7.998
184 HG3 ARG 20 3HG ARG 20 -3.709 -21.391 -8.946
185 HD2 ARG 20 2HD ARG 20 -5.245 -22.671 -7.010
186 HD3 ARG 20 3HD ARG 20 -6.225 -21.298 -7.523
187 HE ARG 20 HE ARG 20 -5.641 -23.648 -9.033
188 HH11 ARG 20 1HH1 ARG 20 -6.300 -20.239 -9.289
189 HH12 ARG 20 2HH1 ARG 20 -6.935 -20.350 -10.897
190 HH21 ARG 20 1HH2 ARG 20 -6.475 -23.807 -11.150
191 HH22 ARG 20 2HH2 ARG 20 -7.034 -22.380 -11.955
192 H LEU 21 H LEU 21 -2.293 -18.958 -4.574
193 HA LEU 21 HA LEU 21 -0.472 -20.688 -3.037
194 HB2 LEU 21 2HB LEU 21 -0.088 -18.123 -4.498
195 HB3 LEU 21 3HB LEU 21 0.901 -18.437 -3.074
196 HG LEU 21 HG LEU 21 0.775 -20.177 -5.536
197 HD11 LEU 21 1HD1 LEU 21 3.259 -18.798 -4.762
198 HD12 LEU 21 2HD1 LEU 21 1.973 -17.772 -5.397
199 HD13 LEU 21 3HD1 LEU 21 2.583 -19.118 -6.359
200 HD21 LEU 21 3HD2 LEU 21 1.599 -20.759 -2.898
201 HD22 LEU 21 1HD2 LEU 21 3.056 -20.607 -3.880
202 HD23 LEU 21 2HD2 LEU 21 1.794 -21.747 -4.347
203 H PHE 22 H PHE 22 -1.287 -17.233 -2.835
204 HA PHE 22 HA PHE 22 -1.050 -16.995 -0.094
205 HB2 PHE 22 2HB PHE 22 -2.598 -15.463 -2.153
206 HB3 PHE 22 3HB PHE 22 -2.787 -15.066 -0.448
207 HD1 PHE 22 HD1 PHE 22 -0.683 -14.504 0.876
208 HD2 PHE 22 HD2 PHE 22 -0.811 -14.620 -3.377
209 HE1 PHE 22 HE1 PHE 22 1.350 -13.121 0.781
210 HE2 PHE 22 HE2 PHE 22 1.222 -13.238 -3.479
211 HZ PHE 22 HZ PHE 22 2.305 -12.487 -1.399
212 H ARG 23 H ARG 23 -3.831 -18.005 -2.001
213 HA ARG 23 HA ARG 23 -5.795 -17.932 -0.026
214 HB2 ARG 23 2HB ARG 23 -6.225 -18.327 -2.435
215 HB3 ARG 23 3HB ARG 23 -5.536 -19.937 -2.273
216 HG2 ARG 23 2HG ARG 23 -7.915 -20.121 -2.237
217 HG3 ARG 23 3HG ARG 23 -7.307 -20.467 -0.617
218 HD2 ARG 23 2HD ARG 23 -8.567 -18.848 0.228
219 HD3 ARG 23 3HD ARG 23 -7.796 -17.669 -0.832
220 HE ARG 23 HE ARG 23 -9.724 -19.087 -2.297
221 HH11 ARG 23 1HH1 ARG 23 -9.498 -16.755 0.278
222 HH12 ARG 23 2HH1 ARG 23 -11.031 -16.027 -0.071
223 HH21 ARG 23 1HH2 ARG 23 -11.744 -18.138 -2.766
224 HH22 ARG 23 2HH2 ARG 23 -12.308 -16.815 -1.802
225 H ARG 24 H ARG 24 -3.223 -20.215 -0.591
226 HA ARG 24 HA ARG 24 -4.300 -22.208 1.195
227 HB2 ARG 24 2HB ARG 24 -1.582 -21.957 -0.106
228 HB3 ARG 24 3HB ARG 24 -2.121 -23.344 0.833
229 HG2 ARG 24 2HG ARG 24 -3.335 -22.361 -1.741
230 HG3 ARG 24 3HG ARG 24 -2.310 -23.783 -1.541
231 HD2 ARG 24 2HD ARG 24 -4.396 -24.026 0.332
232 HD3 ARG 24 3HD ARG 24 -5.142 -23.521 -1.184
233 HE ARG 24 HE ARG 24 -3.458 -25.534 -1.909
234 HH11 ARG 24 1HH1 ARG 24 -6.043 -25.221 0.401
235 HH12 ARG 24 2HH1 ARG 24 -6.511 -26.886 0.299
236 HH21 ARG 24 1HH2 ARG 24 -4.064 -27.728 -2.053
237 HH22 ARG 24 2HH2 ARG 24 -5.384 -28.311 -1.097
Start of MODEL 15
1 H1 TRP 1 H TRP 1 1.807 0.065 1.183
2 HA TRP 1 HA TRP 1 3.644 -0.590 -0.528
3 HB2 TRP 1 2HB TRP 1 2.028 -2.782 -0.677
4 HB3 TRP 1 3HB TRP 1 1.468 -1.852 -2.065
5 HD1 TRP 1 HD1 TRP 1 2.653 -2.609 -4.190
6 HE1 TRP 1 HE1 TRP 1 5.015 -3.424 -4.807
7 HE3 TRP 1 HE3 TRP 1 4.806 -2.445 0.444
8 HZ2 TRP 1 HZ2 TRP 1 7.467 -3.931 -3.503
9 HZ3 TRP 1 HZ3 TRP 1 7.164 -3.112 0.674
10 HH2 TRP 1 HH2 TRP 1 8.464 -3.840 -1.260
11 H TRP 2 H TRP 2 3.779 1.415 -1.298
12 HA TRP 2 HA TRP 2 1.380 2.771 -2.261
13 HB2 TRP 2 2HB TRP 2 2.371 4.581 -1.404
14 HB3 TRP 2 3HB TRP 2 3.776 3.610 -0.973
15 HD1 TRP 2 HD1 TRP 2 2.640 6.288 -3.351
16 HE1 TRP 2 HE1 TRP 2 4.594 6.971 -4.881
17 HE3 TRP 2 HE3 TRP 2 5.927 2.550 -2.187
18 HZ2 TRP 2 HZ2 TRP 2 7.185 6.047 -5.511
19 HZ3 TRP 2 HZ3 TRP 2 8.122 2.521 -3.298
20 HH2 TRP 2 HH2 TRP 2 8.736 4.235 -4.926
21 H TRP 3 H TRP 3 4.228 1.217 -3.437
22 HA TRP 3 HA TRP 3 4.037 2.414 -6.074
23 HB2 TRP 3 2HB TRP 3 6.132 1.359 -4.641
24 HB3 TRP 3 3HB TRP 3 5.769 0.064 -5.778
25 HD1 TRP 3 HD1 TRP 3 5.534 3.825 -6.606
26 HE1 TRP 3 HE1 TRP 3 7.199 4.335 -8.501
27 HE3 TRP 3 HE3 TRP 3 7.808 -0.741 -6.939
28 HZ2 TRP 3 HZ2 TRP 3 9.210 2.981 -9.946
29 HZ3 TRP 3 HZ3 TRP 3 9.593 -1.051 -8.605
30 HH2 TRP 3 HH2 TRP 3 10.278 0.773 -10.076
31 H LYS 4 H LYS 4 1.909 0.638 -4.839
32 HA LYS 4 HA LYS 4 1.808 -1.841 -6.111
33 HB2 LYS 4 2HB LYS 4 0.208 -0.541 -4.356
34 HB3 LYS 4 3HB LYS 4 -0.758 -0.398 -5.819
35 HG2 LYS 4 2HG LYS 4 -0.466 -2.908 -6.075
36 HG3 LYS 4 3HG LYS 4 0.140 -2.894 -4.417
37 HD2 LYS 4 2HD LYS 4 -2.107 -3.334 -4.103
38 HD3 LYS 4 3HD LYS 4 -2.050 -1.580 -3.913
39 HE2 LYS 4 2HE LYS 4 -3.845 -1.838 -5.336
40 HE3 LYS 4 3HE LYS 4 -2.526 -1.564 -6.473
41 HZ1 LYS 4 3HZ LYS 4 -2.941 -3.517 -7.396
42 HZ2 LYS 4 1HZ LYS 4 -4.246 -3.749 -6.345
43 HZ3 LYS 4 2HZ LYS 4 -2.710 -4.314 -5.922
44 H TYR 5 H TYR 5 1.473 1.309 -7.403
45 HA TYR 5 HA TYR 5 -0.220 0.877 -9.578
46 HB2 TYR 5 2HB TYR 5 2.201 2.682 -9.603
47 HB3 TYR 5 3HB TYR 5 0.721 2.861 -10.538
48 HD1 TYR 5 HD2 TYR 5 -1.380 2.512 -8.566
49 HD2 TYR 5 HD1 TYR 5 2.354 4.517 -8.198
50 HE1 TYR 5 HE2 TYR 5 -2.327 3.939 -6.801
51 HE2 TYR 5 HE1 TYR 5 1.418 5.949 -6.430
52 HH TYR 5 HH TYR 5 -0.379 5.969 -4.837
53 H GLU 6 H GLU 6 3.103 -0.021 -9.062
54 HA GLU 6 HA GLU 6 3.497 -0.737 -11.854
55 HB2 GLU 6 2HB GLU 6 5.444 -1.426 -9.690
56 HB3 GLU 6 3HB GLU 6 5.749 -0.988 -11.365
57 HG2 GLU 6 2HG GLU 6 4.830 0.892 -9.202
58 HG3 GLU 6 3HG GLU 6 6.476 0.750 -9.815
59 H ILE 7 H ILE 7 1.926 -2.113 -9.359
60 HA ILE 7 HA ILE 7 2.798 -4.851 -9.954
61 HB ILE 7 HB ILE 7 1.269 -3.640 -7.677
62 HG12 ILE 7 2HG1 ILE 7 3.745 -3.833 -7.587
63 HG13 ILE 7 3HG1 ILE 7 2.942 -4.772 -6.333
64 HG21 ILE 7 1HG2 ILE 7 -0.150 -5.416 -7.975
65 HG22 ILE 7 2HG2 ILE 7 1.096 -6.431 -8.700
66 HG23 ILE 7 3HG2 ILE 7 1.084 -6.159 -6.958
67 HD11 ILE 7 3HD1 ILE 7 3.220 -6.787 -7.749
68 HD12 ILE 7 1HD1 ILE 7 4.157 -5.811 -8.879
69 HD13 ILE 7 2HD1 ILE 7 4.741 -6.058 -7.233
70 H THR 8 H THR 8 -0.028 -2.745 -9.989
71 HA THR 8 HA THR 8 -2.058 -4.496 -10.552
72 HB THR 8 HB THR 8 -3.254 -2.715 -11.580
73 HG1 THR 8 HG1 THR 8 -0.817 -1.279 -11.894
74 HG21 THR 8 3HG2 THR 8 -3.022 -0.948 -9.999
75 HG22 THR 8 1HG2 THR 8 -1.331 -1.347 -9.703
76 HG23 THR 8 2HG2 THR 8 -2.604 -2.440 -9.158
77 H THR 9 H THR 9 0.539 -3.474 -12.646
78 HA THR 9 HA THR 9 -0.467 -4.153 -15.141
79 HB THR 9 HB THR 9 1.603 -3.060 -15.169
80 HG1 THR 9 HG1 THR 9 2.987 -4.583 -16.241
81 HG21 THR 9 3HG2 THR 9 3.395 -4.950 -13.963
82 HG22 THR 9 1HG2 THR 9 2.115 -4.532 -12.826
83 HG23 THR 9 2HG2 THR 9 3.109 -3.262 -13.540
84 H ILE 10 H ILE 10 1.425 -6.215 -12.928
85 HA ILE 10 HA ILE 10 0.765 -8.560 -14.522
86 HB ILE 10 HB ILE 10 2.366 -9.750 -13.284
87 HG12 ILE 10 2HG1 ILE 10 1.420 -8.748 -11.065
88 HG13 ILE 10 3HG1 ILE 10 3.096 -9.284 -11.126
89 HG21 ILE 10 1HG2 ILE 10 4.348 -8.153 -13.184
90 HG22 ILE 10 2HG2 ILE 10 3.512 -8.299 -14.729
91 HG23 ILE 10 3HG2 ILE 10 3.218 -6.900 -13.696
92 HD11 ILE 10 3HD1 ILE 10 3.903 -7.210 -10.852
93 HD12 ILE 10 1HD1 ILE 10 2.641 -6.470 -11.836
94 HD13 ILE 10 2HD1 ILE 10 2.310 -6.907 -10.160
95 H HIS 11 H HIS 11 -0.260 -6.969 -11.644
96 HA HIS 11 HA HIS 11 -1.308 -9.050 -10.138
97 HB2 HIS 11 2HB HIS 11 -1.190 -6.690 -9.390
98 HB3 HIS 11 3HB HIS 11 -2.503 -6.293 -10.495
99 HD1 HIS 11 HD1 HIS 11 -2.383 -9.314 -8.221
100 HD2 HIS 11 HD2 HIS 11 -4.465 -5.747 -8.669
101 HE1 HIS 11 HE1 HIS 11 -4.264 -9.420 -6.555
102 H ASN 12 H ASN 12 -2.319 -7.848 -13.183
103 HA ASN 12 HA ASN 12 -5.044 -8.713 -13.031
104 HB2 ASN 12 2HB ASN 12 -3.282 -7.494 -15.048
105 HB3 ASN 12 3HB ASN 12 -4.507 -8.573 -15.709
106 HD21 ASN 12 1HD2 ASN 12 -4.050 -5.807 -13.570
107 HD22 ASN 12 2HD2 ASN 12 -5.594 -5.092 -13.872
108 H LEU 13 H LEU 13 -2.055 -10.264 -13.575
109 HA LEU 13 HA LEU 13 -3.450 -12.654 -14.588
110 HB2 LEU 13 2HB LEU 13 -1.574 -13.264 -15.836
111 HB3 LEU 13 3HB LEU 13 -1.754 -11.533 -16.111
112 HG LEU 13 HG LEU 13 0.006 -11.814 -13.930
113 HD11 LEU 13 1HD1 LEU 13 1.781 -13.098 -15.442
114 HD12 LEU 13 2HD1 LEU 13 0.322 -13.933 -15.972
115 HD13 LEU 13 3HD1 LEU 13 0.761 -13.924 -14.264
116 HD21 LEU 13 3HD2 LEU 13 1.503 -10.626 -15.315
117 HD22 LEU 13 1HD2 LEU 13 -0.112 -10.092 -15.783
118 HD23 LEU 13 2HD2 LEU 13 0.759 -11.252 -16.788
119 H PHE 14 H PHE 14 -1.486 -11.294 -12.132
120 HA PHE 14 HA PHE 14 -0.432 -13.763 -11.122
121 HB2 PHE 14 2HB PHE 14 -0.224 -10.929 -10.479
122 HB3 PHE 14 3HB PHE 14 -0.337 -11.932 -9.037
123 HD1 PHE 14 HD2 PHE 14 1.355 -13.676 -8.610
124 HD2 PHE 14 HD1 PHE 14 1.719 -10.927 -11.839
125 HE1 PHE 14 HE2 PHE 14 3.743 -14.234 -8.811
126 HE2 PHE 14 HE1 PHE 14 4.107 -11.481 -12.047
127 HZ PHE 14 HZ PHE 14 5.122 -13.136 -10.531
128 H ARG 15 H ARG 15 -3.340 -11.933 -10.699
129 HA ARG 15 HA ARG 15 -4.193 -12.804 -8.199
130 HB2 ARG 15 2HB ARG 15 -6.447 -12.272 -8.939
131 HB3 ARG 15 3HB ARG 15 -5.321 -11.048 -9.509
132 HG2 ARG 15 2HG ARG 15 -5.307 -12.675 -11.635
133 HG3 ARG 15 3HG ARG 15 -6.931 -12.999 -11.024
134 HD2 ARG 15 2HD ARG 15 -6.914 -10.321 -10.861
135 HD3 ARG 15 3HD ARG 15 -5.795 -10.540 -12.206
136 HE ARG 15 HE ARG 15 -7.945 -12.123 -12.810
137 HH11 ARG 15 1HH1 ARG 15 -7.463 -8.749 -12.102
138 HH12 ARG 15 2HH1 ARG 15 -8.787 -8.218 -13.084
139 HH21 ARG 15 1HH2 ARG 15 -9.692 -11.437 -14.107
140 HH22 ARG 15 2HH2 ARG 15 -10.056 -9.749 -14.224
141 H LYS 16 H LYS 16 -3.996 -14.498 -11.208
142 HA LYS 16 HA LYS 16 -5.833 -16.586 -10.557
143 HB2 LYS 16 2HB LYS 16 -5.139 -15.956 -12.884
144 HB3 LYS 16 3HB LYS 16 -3.564 -16.664 -12.551
145 HG2 LYS 16 2HG LYS 16 -5.228 -18.701 -11.862
146 HG3 LYS 16 3HG LYS 16 -6.112 -17.950 -13.192
147 HD2 LYS 16 2HD LYS 16 -3.644 -17.985 -14.251
148 HD3 LYS 16 3HD LYS 16 -3.533 -19.396 -13.196
149 HE2 LYS 16 2HE LYS 16 -6.036 -19.365 -14.632
150 HE3 LYS 16 3HE LYS 16 -4.671 -19.269 -15.743
151 HZ1 LYS 16 3HZ LYS 16 -4.449 -21.445 -15.489
152 HZ2 LYS 16 1HZ LYS 16 -5.615 -21.495 -14.264
153 HZ3 LYS 16 2HZ LYS 16 -3.997 -21.187 -13.880
154 H LEU 17 H LEU 17 -2.500 -15.953 -9.869
155 HA LEU 17 HA LEU 17 -1.951 -18.696 -9.085
156 HB2 LEU 17 2HB LEU 17 -0.247 -17.276 -10.204
157 HB3 LEU 17 3HB LEU 17 -0.234 -16.237 -8.781
158 HG LEU 17 HG LEU 17 0.600 -18.123 -7.436
159 HD11 LEU 17 1HD1 LEU 17 -0.188 -20.053 -8.467
160 HD12 LEU 17 2HD1 LEU 17 1.538 -20.069 -8.825
161 HD13 LEU 17 3HD1 LEU 17 0.387 -19.556 -10.058
162 HD21 LEU 17 3HD2 LEU 17 2.841 -18.058 -8.232
163 HD22 LEU 17 1HD2 LEU 17 2.111 -16.496 -8.606
164 HD23 LEU 17 2HD2 LEU 17 2.313 -17.702 -9.877
165 H THR 18 H THR 18 -2.646 -15.592 -7.615
166 HA THR 18 HA THR 18 -1.897 -16.012 -4.997
167 HB THR 18 HB THR 18 -3.625 -14.425 -4.336
168 HG1 THR 18 HG1 THR 18 -5.401 -15.015 -5.508
169 HG21 THR 18 3HG2 THR 18 -3.159 -12.657 -6.185
170 HG22 THR 18 1HG2 THR 18 -2.094 -13.892 -6.855
171 HG23 THR 18 2HG2 THR 18 -1.814 -13.276 -5.226
172 H HIS 19 H HIS 19 -4.700 -17.253 -6.710
173 HA HIS 19 HA HIS 19 -6.301 -18.117 -4.646
174 HB2 HIS 19 2HB HIS 19 -5.998 -18.715 -7.443
175 HB3 HIS 19 3HB HIS 19 -6.328 -20.198 -6.553
176 HD1 HIS 19 HD1 HIS 19 -8.444 -19.682 -4.681
177 HD2 HIS 19 HD2 HIS 19 -8.303 -17.610 -8.280
178 HE1 HIS 19 HE1 HIS 19 -10.786 -18.851 -5.071
179 H ARG 20 H ARG 20 -3.254 -19.411 -5.723
180 HA ARG 20 HA ARG 20 -3.489 -21.568 -3.728
181 HB2 ARG 20 2HB ARG 20 -1.596 -22.626 -5.083
182 HB3 ARG 20 3HB ARG 20 -3.197 -22.620 -5.810
183 HG2 ARG 20 2HG ARG 20 -2.545 -20.613 -7.111
184 HG3 ARG 20 3HG ARG 20 -0.914 -20.768 -6.453
185 HD2 ARG 20 2HD ARG 20 -1.220 -21.762 -8.726
186 HD3 ARG 20 3HD ARG 20 -0.608 -22.883 -7.510
187 HE ARG 20 HE ARG 20 -2.520 -24.120 -7.739
188 HH11 ARG 20 1HH1 ARG 20 -3.008 -20.987 -9.175
189 HH12 ARG 20 2HH1 ARG 20 -4.539 -21.401 -9.873
190 HH21 ARG 20 1HH2 ARG 20 -4.534 -24.678 -8.653
191 HH22 ARG 20 2HH2 ARG 20 -5.406 -23.501 -9.575
192 H LEU 21 H LEU 21 -1.685 -18.818 -4.798
193 HA LEU 21 HA LEU 21 0.768 -19.239 -3.547
194 HB2 LEU 21 2HB LEU 21 -0.347 -17.233 -5.007
195 HB3 LEU 21 3HB LEU 21 -0.263 -16.493 -3.410
196 HG LEU 21 HG LEU 21 2.211 -17.802 -4.335
197 HD11 LEU 21 1HD1 LEU 21 0.815 -15.912 -6.017
198 HD12 LEU 21 2HD1 LEU 21 2.283 -16.835 -6.334
199 HD13 LEU 21 3HD1 LEU 21 2.380 -15.287 -5.494
200 HD21 LEU 21 3HD2 LEU 21 2.216 -16.621 -2.261
201 HD22 LEU 21 1HD2 LEU 21 1.502 -15.192 -3.008
202 HD23 LEU 21 2HD2 LEU 21 3.149 -15.673 -3.420
203 H PHE 22 H PHE 22 -1.778 -17.087 -2.279
204 HA PHE 22 HA PHE 22 -1.005 -17.942 0.433
205 HB2 PHE 22 2HB PHE 22 -1.265 -15.755 1.243
206 HB3 PHE 22 3HB PHE 22 -0.445 -15.536 -0.299
207 HD1 PHE 22 HD2 PHE 22 -1.592 -14.557 -2.193
208 HD2 PHE 22 HD1 PHE 22 -3.557 -15.069 1.548
209 HE1 PHE 22 HE2 PHE 22 -3.375 -13.029 -2.925
210 HE2 PHE 22 HE1 PHE 22 -5.344 -13.542 0.821
211 HZ PHE 22 HZ PHE 22 -5.254 -12.518 -1.417
212 H ARG 23 H ARG 23 -3.595 -17.164 -1.773
213 HA ARG 23 HA ARG 23 -5.745 -17.178 0.031
214 HB2 ARG 23 2HB ARG 23 -5.507 -16.697 -2.619
215 HB3 ARG 23 3HB ARG 23 -6.226 -18.302 -2.662
216 HG2 ARG 23 2HG ARG 23 -7.947 -16.618 -2.779
217 HG3 ARG 23 3HG ARG 23 -8.069 -17.496 -1.253
218 HD2 ARG 23 2HD ARG 23 -8.066 -15.514 -0.238
219 HD3 ARG 23 3HD ARG 23 -6.368 -15.380 -0.690
220 HE ARG 23 HE ARG 23 -7.708 -14.483 -2.881
221 HH11 ARG 23 1HH1 ARG 23 -7.725 -13.652 0.500
222 HH12 ARG 23 2HH1 ARG 23 -8.133 -11.991 0.224
223 HH21 ARG 23 1HH2 ARG 23 -8.245 -12.298 -3.257
224 HH22 ARG 23 2HH2 ARG 23 -8.429 -11.222 -1.914
225 H ARG 24 H ARG 24 -4.020 -19.774 -1.578
226 HA ARG 24 HA ARG 24 -4.097 -22.039 -1.373
227 HB2 ARG 24 2HB ARG 24 -4.964 -21.056 1.308
228 HB3 ARG 24 3HB ARG 24 -5.119 -22.772 0.960
229 HG2 ARG 24 2HG ARG 24 -2.547 -21.265 0.594
230 HG3 ARG 24 3HG ARG 24 -2.997 -22.052 2.108
231 HD2 ARG 24 2HD ARG 24 -3.341 -23.809 -0.169
232 HD3 ARG 24 3HD ARG 24 -1.687 -23.211 -0.048
233 HE ARG 24 HE ARG 24 -2.579 -24.093 2.479
234 HH11 ARG 24 1HH1 ARG 24 -1.595 -25.304 -0.633
235 HH12 ARG 24 2HH1 ARG 24 -1.020 -26.815 -0.008
236 HH21 ARG 24 1HH2 ARG 24 -1.826 -26.077 3.313
237 HH22 ARG 24 2HH2 ARG 24 -1.153 -27.254 2.236
Start of MODEL 16
1 H1 TRP 1 H TRP 1 2.505 -0.361 0.995
2 HA TRP 1 HA TRP 1 3.947 -0.539 -0.790
3 HB2 TRP 1 2HB TRP 1 2.207 -2.517 -1.411
4 HB3 TRP 1 3HB TRP 1 1.907 -1.411 -2.749
5 HD1 TRP 1 HD1 TRP 1 3.211 -2.289 -4.764
6 HE1 TRP 1 HE1 TRP 1 5.594 -3.169 -5.182
7 HE3 TRP 1 HE3 TRP 1 4.950 -2.238 0.043
8 HZ2 TRP 1 HZ2 TRP 1 7.904 -3.763 -3.673
9 HZ3 TRP 1 HZ3 TRP 1 7.257 -2.977 0.470
10 HH2 TRP 1 HH2 TRP 1 8.702 -3.724 -1.351
11 H TRP 2 H TRP 2 4.456 1.459 -1.387
12 HA TRP 2 HA TRP 2 2.460 3.310 -2.340
13 HB2 TRP 2 2HB TRP 2 3.924 4.896 -1.712
14 HB3 TRP 2 3HB TRP 2 4.859 3.582 -1.003
15 HD1 TRP 2 HD1 TRP 2 7.184 3.050 -2.058
16 HE1 TRP 2 HE1 TRP 2 8.564 4.091 -3.965
17 HE3 TRP 2 HE3 TRP 2 3.603 6.081 -4.091
18 HZ2 TRP 2 HZ2 TRP 2 8.186 5.952 -6.054
19 HZ3 TRP 2 HZ3 TRP 2 4.194 7.459 -6.042
20 HH2 TRP 2 HH2 TRP 2 6.438 7.395 -7.001
21 H TRP 3 H TRP 3 5.027 1.358 -3.698
22 HA TRP 3 HA TRP 3 4.743 2.592 -6.318
23 HB2 TRP 3 2HB TRP 3 6.864 1.391 -5.019
24 HB3 TRP 3 3HB TRP 3 6.362 0.160 -6.175
25 HD1 TRP 3 HD1 TRP 3 6.253 3.944 -6.894
26 HE1 TRP 3 HE1 TRP 3 7.845 4.438 -8.855
27 HE3 TRP 3 HE3 TRP 3 8.335 -0.693 -7.437
28 HZ2 TRP 3 HZ2 TRP 3 9.734 3.046 -10.424
29 HZ3 TRP 3 HZ3 TRP 3 10.026 -1.029 -9.192
30 HH2 TRP 3 HH2 TRP 3 10.710 0.804 -10.654
31 H LYS 4 H LYS 4 2.519 1.101 -5.078
32 HA LYS 4 HA LYS 4 2.212 -1.432 -6.264
33 HB2 LYS 4 2HB LYS 4 0.843 -0.518 -4.374
34 HB3 LYS 4 3HB LYS 4 0.013 0.509 -5.536
35 HG2 LYS 4 2HG LYS 4 -0.994 -1.324 -6.601
36 HG3 LYS 4 3HG LYS 4 0.094 -2.476 -5.825
37 HD2 LYS 4 2HD LYS 4 -1.139 -2.559 -3.943
38 HD3 LYS 4 3HD LYS 4 -1.477 -0.827 -3.971
39 HE2 LYS 4 2HE LYS 4 -3.142 -1.215 -5.751
40 HE3 LYS 4 3HE LYS 4 -2.832 -2.946 -5.638
41 HZ1 LYS 4 3HZ LYS 4 -3.485 -1.660 -3.131
42 HZ2 LYS 4 1HZ LYS 4 -4.040 -3.122 -3.776
43 HZ3 LYS 4 2HZ LYS 4 -4.738 -1.662 -4.267
44 H TYR 5 H TYR 5 2.155 1.679 -7.617
45 HA TYR 5 HA TYR 5 0.288 1.377 -9.689
46 HB2 TYR 5 2HB TYR 5 2.845 2.977 -9.838
47 HB3 TYR 5 3HB TYR 5 1.356 3.257 -10.733
48 HD1 TYR 5 HD2 TYR 5 -0.693 3.084 -8.663
49 HD2 TYR 5 HD1 TYR 5 3.176 4.848 -8.505
50 HE1 TYR 5 HE2 TYR 5 -1.468 4.613 -6.900
51 HE2 TYR 5 HE1 TYR 5 2.411 6.381 -6.740
52 HH TYR 5 HH TYR 5 -0.605 5.979 -5.138
53 H GLU 6 H GLU 6 3.505 0.150 -9.285
54 HA GLU 6 HA GLU 6 3.717 -0.615 -12.090
55 HB2 GLU 6 2HB GLU 6 5.682 -1.328 -9.928
56 HB3 GLU 6 3HB GLU 6 5.965 -1.169 -11.655
57 HG2 GLU 6 2HG GLU 6 5.071 1.334 -10.898
58 HG3 GLU 6 3HG GLU 6 6.100 0.822 -9.561
59 H ILE 7 H ILE 7 2.360 -1.846 -9.318
60 HA ILE 7 HA ILE 7 2.949 -4.638 -9.870
61 HB ILE 7 HB ILE 7 1.441 -3.213 -7.709
62 HG12 ILE 7 2HG1 ILE 7 3.895 -3.580 -7.536
63 HG13 ILE 7 3HG1 ILE 7 2.991 -4.387 -6.259
64 HG21 ILE 7 1HG2 ILE 7 -0.095 -4.883 -7.895
65 HG22 ILE 7 2HG2 ILE 7 1.047 -6.003 -8.635
66 HG23 ILE 7 3HG2 ILE 7 1.098 -5.714 -6.897
67 HD11 ILE 7 3HD1 ILE 7 3.155 -6.493 -7.553
68 HD12 ILE 7 1HD1 ILE 7 4.188 -5.653 -8.709
69 HD13 ILE 7 2HD1 ILE 7 4.712 -5.848 -7.036
70 H THR 8 H THR 8 0.278 -2.365 -10.151
71 HA THR 8 HA THR 8 -1.840 -4.036 -10.679
72 HB THR 8 HB THR 8 -2.903 -2.242 -11.826
73 HG1 THR 8 HG1 THR 8 -1.713 -0.512 -12.702
74 HG21 THR 8 3HG2 THR 8 -2.599 -0.401 -10.324
75 HG22 THR 8 1HG2 THR 8 -0.969 -0.934 -9.915
76 HG23 THR 8 2HG2 THR 8 -2.363 -1.886 -9.405
77 H THR 9 H THR 9 0.925 -3.374 -12.658
78 HA THR 9 HA THR 9 -0.073 -4.096 -15.176
79 HB THR 9 HB THR 9 2.621 -3.879 -13.964
80 HG1 THR 9 HG1 THR 9 1.462 -2.235 -15.236
81 HG21 THR 9 3HG2 THR 9 2.023 -5.615 -16.345
82 HG22 THR 9 1HG2 THR 9 3.015 -5.985 -14.936
83 HG23 THR 9 2HG2 THR 9 3.586 -4.826 -16.137
84 H ILE 10 H ILE 10 1.775 -6.082 -12.856
85 HA ILE 10 HA ILE 10 1.115 -8.494 -14.317
86 HB ILE 10 HB ILE 10 2.621 -9.631 -12.947
87 HG12 ILE 10 2HG1 ILE 10 1.480 -8.603 -10.833
88 HG13 ILE 10 3HG1 ILE 10 3.151 -9.148 -10.736
89 HG21 ILE 10 1HG2 ILE 10 4.612 -8.128 -12.754
90 HG22 ILE 10 2HG2 ILE 10 3.826 -8.110 -14.332
91 HG23 ILE 10 3HG2 ILE 10 3.563 -6.783 -13.201
92 HD11 ILE 10 3HD1 ILE 10 3.965 -7.049 -10.503
93 HD12 ILE 10 1HD1 ILE 10 2.688 -6.323 -11.478
94 HD13 ILE 10 2HD1 ILE 10 2.362 -6.798 -9.811
95 H HIS 11 H HIS 11 -0.033 -6.748 -11.564
96 HA HIS 11 HA HIS 11 -1.264 -8.749 -10.079
97 HB2 HIS 11 2HB HIS 11 -1.088 -6.427 -9.310
98 HB3 HIS 11 3HB HIS 11 -2.226 -5.920 -10.554
99 HD1 HIS 11 HD1 HIS 11 -2.572 -8.880 -8.207
100 HD2 HIS 11 HD2 HIS 11 -4.388 -5.238 -9.047
101 HE1 HIS 11 HE1 HIS 11 -4.647 -8.820 -6.787
102 H ASN 12 H ASN 12 -2.021 -7.581 -13.203
103 HA ASN 12 HA ASN 12 -4.796 -8.305 -13.193
104 HB2 ASN 12 2HB ASN 12 -2.905 -7.104 -15.059
105 HB3 ASN 12 3HB ASN 12 -3.986 -8.248 -15.849
106 HD21 ASN 12 1HD2 ASN 12 -3.930 -5.449 -13.705
107 HD22 ASN 12 2HD2 ASN 12 -5.458 -4.812 -14.203
108 H LEU 13 H LEU 13 -1.858 -10.000 -13.537
109 HA LEU 13 HA LEU 13 -3.304 -12.342 -14.590
110 HB2 LEU 13 2HB LEU 13 -1.408 -13.048 -15.748
111 HB3 LEU 13 3HB LEU 13 -1.487 -11.313 -16.045
112 HG LEU 13 HG LEU 13 0.153 -11.600 -13.800
113 HD11 LEU 13 1HD1 LEU 13 1.906 -13.128 -14.650
114 HD12 LEU 13 2HD1 LEU 13 0.787 -13.664 -15.901
115 HD13 LEU 13 3HD1 LEU 13 0.414 -13.955 -14.202
116 HD21 LEU 13 3HD2 LEU 13 0.226 -10.035 -15.824
117 HD22 LEU 13 1HD2 LEU 13 1.151 -11.312 -16.615
118 HD23 LEU 13 2HD2 LEU 13 1.764 -10.563 -15.140
119 H PHE 14 H PHE 14 -1.449 -11.019 -12.046
120 HA PHE 14 HA PHE 14 -0.512 -13.503 -10.958
121 HB2 PHE 14 2HB PHE 14 -0.260 -10.672 -10.339
122 HB3 PHE 14 3HB PHE 14 -0.509 -11.640 -8.890
123 HD1 PHE 14 HD2 PHE 14 1.088 -13.426 -8.306
124 HD2 PHE 14 HD1 PHE 14 1.774 -10.766 -11.557
125 HE1 PHE 14 HE2 PHE 14 3.464 -14.067 -8.325
126 HE2 PHE 14 HE1 PHE 14 4.150 -11.403 -11.582
127 HZ PHE 14 HZ PHE 14 4.998 -13.054 -9.963
128 H ARG 15 H ARG 15 -3.397 -11.604 -10.722
129 HA ARG 15 HA ARG 15 -4.418 -12.420 -8.271
130 HB2 ARG 15 2HB ARG 15 -6.650 -11.959 -9.249
131 HB3 ARG 15 3HB ARG 15 -5.488 -10.675 -9.553
132 HG2 ARG 15 2HG ARG 15 -6.116 -10.796 -11.679
133 HG3 ARG 15 3HG ARG 15 -5.217 -12.313 -11.752
134 HD2 ARG 15 2HD ARG 15 -7.260 -13.524 -11.097
135 HD3 ARG 15 3HD ARG 15 -8.145 -11.999 -11.098
136 HE ARG 15 HE ARG 15 -6.904 -12.354 -13.595
137 HH11 ARG 15 1HH1 ARG 15 -9.494 -13.655 -11.667
138 HH12 ARG 15 2HH1 ARG 15 -10.435 -14.155 -13.033
139 HH21 ARG 15 1HH2 ARG 15 -8.133 -13.008 -15.402
140 HH22 ARG 15 2HH2 ARG 15 -9.660 -13.788 -15.157
141 H LYS 16 H LYS 16 -4.118 -14.155 -11.260
142 HA LYS 16 HA LYS 16 -6.020 -16.194 -10.717
143 HB2 LYS 16 2HB LYS 16 -3.577 -16.282 -12.498
144 HB3 LYS 16 3HB LYS 16 -4.912 -17.426 -12.528
145 HG2 LYS 16 2HG LYS 16 -6.254 -16.037 -13.682
146 HG3 LYS 16 3HG LYS 16 -5.651 -14.596 -12.861
147 HD2 LYS 16 2HD LYS 16 -4.670 -14.181 -14.847
148 HD3 LYS 16 3HD LYS 16 -3.457 -15.325 -14.268
149 HE2 LYS 16 2HE LYS 16 -5.874 -16.256 -15.780
150 HE3 LYS 16 3HE LYS 16 -4.447 -15.658 -16.625
151 HZ1 LYS 16 3HZ LYS 16 -3.926 -17.848 -16.499
152 HZ2 LYS 16 1HZ LYS 16 -4.797 -18.108 -15.072
153 HZ3 LYS 16 2HZ LYS 16 -3.280 -17.363 -15.013
154 H LEU 17 H LEU 17 -2.753 -15.631 -9.717
155 HA LEU 17 HA LEU 17 -2.384 -18.366 -8.798
156 HB2 LEU 17 2HB LEU 17 -0.537 -17.038 -9.822
157 HB3 LEU 17 3HB LEU 17 -0.586 -15.978 -8.415
158 HG LEU 17 HG LEU 17 -0.122 -18.125 -7.059
159 HD11 LEU 17 1HD1 LEU 17 -0.465 -19.815 -8.664
160 HD12 LEU 17 2HD1 LEU 17 1.280 -19.736 -8.419
161 HD13 LEU 17 3HD1 LEU 17 0.557 -19.004 -9.852
162 HD21 LEU 17 3HD2 LEU 17 2.192 -17.363 -8.777
163 HD22 LEU 17 1HD2 LEU 17 2.110 -17.594 -7.030
164 HD23 LEU 17 2HD2 LEU 17 1.435 -16.137 -7.759
165 H THR 18 H THR 18 -3.088 -15.184 -7.521
166 HA THR 18 HA THR 18 -2.590 -15.585 -4.817
167 HB THR 18 HB THR 18 -4.180 -13.803 -4.365
168 HG1 THR 18 HG1 THR 18 -5.925 -14.065 -5.605
169 HG21 THR 18 3HG2 THR 18 -3.370 -12.129 -6.129
170 HG22 THR 18 1HG2 THR 18 -2.466 -13.479 -6.813
171 HG23 THR 18 2HG2 THR 18 -2.144 -12.947 -5.162
172 H HIS 19 H HIS 19 -5.380 -16.503 -6.764
173 HA HIS 19 HA HIS 19 -7.160 -17.209 -4.749
174 HB2 HIS 19 2HB HIS 19 -7.108 -17.386 -7.518
175 HB3 HIS 19 3HB HIS 19 -7.222 -19.065 -6.998
176 HD1 HIS 19 HD1 HIS 19 -8.953 -15.829 -5.954
177 HD2 HIS 19 HD2 HIS 19 -9.808 -19.795 -6.850
178 HE1 HIS 19 HE1 HIS 19 -11.445 -16.054 -5.699
179 H ARG 20 H ARG 20 -4.280 -18.794 -5.836
180 HA ARG 20 HA ARG 20 -4.936 -21.193 -4.278
181 HB2 ARG 20 2HB ARG 20 -2.682 -20.711 -6.237
182 HB3 ARG 20 3HB ARG 20 -3.016 -22.230 -5.414
183 HG2 ARG 20 2HG ARG 20 -4.657 -22.781 -6.833
184 HG3 ARG 20 3HG ARG 20 -5.289 -21.135 -6.901
185 HD2 ARG 20 2HD ARG 20 -3.358 -20.542 -8.372
186 HD3 ARG 20 3HD ARG 20 -2.929 -22.252 -8.406
187 HE ARG 20 HE ARG 20 -5.019 -20.972 -9.878
188 HH11 ARG 20 1HH1 ARG 20 -4.029 -23.968 -8.408
189 HH12 ARG 20 2HH1 ARG 20 -4.996 -24.953 -9.455
190 HH21 ARG 20 1HH2 ARG 20 -6.297 -22.258 -11.263
191 HH22 ARG 20 2HH2 ARG 20 -6.285 -23.979 -11.079
192 H LEU 21 H LEU 21 -2.861 -18.419 -4.371
193 HA LEU 21 HA LEU 21 -0.875 -19.354 -2.571
194 HB2 LEU 21 2HB LEU 21 -1.745 -16.561 -3.290
195 HB3 LEU 21 3HB LEU 21 -0.331 -16.940 -2.310
196 HG LEU 21 HG LEU 21 -0.579 -18.062 -5.073
197 HD11 LEU 21 1HD1 LEU 21 -0.100 -15.236 -4.316
198 HD12 LEU 21 2HD1 LEU 21 -0.829 -15.915 -5.771
199 HD13 LEU 21 3HD1 LEU 21 0.923 -15.932 -5.573
200 HD21 LEU 21 3HD2 LEU 21 1.349 -18.935 -4.355
201 HD22 LEU 21 1HD2 LEU 21 1.448 -17.823 -2.989
202 HD23 LEU 21 2HD2 LEU 21 2.016 -17.318 -4.581
203 H PHE 22 H PHE 22 -3.135 -16.688 -1.925
204 HA PHE 22 HA PHE 22 -2.974 -16.777 0.830
205 HB2 PHE 22 2HB PHE 22 -5.319 -15.947 -0.889
206 HB3 PHE 22 3HB PHE 22 -5.166 -15.594 0.828
207 HD1 PHE 22 HD1 PHE 22 -3.900 -14.838 -2.523
208 HD2 PHE 22 HD2 PHE 22 -3.655 -13.904 1.622
209 HE1 PHE 22 HE1 PHE 22 -2.657 -12.785 -3.063
210 HE2 PHE 22 HE2 PHE 22 -2.412 -11.849 1.089
211 HZ PHE 22 HZ PHE 22 -1.912 -11.287 -1.256
212 H ARG 23 H ARG 23 -4.935 -18.701 -1.338
213 HA ARG 23 HA ARG 23 -6.632 -19.805 0.665
214 HB2 ARG 23 2HB ARG 23 -7.414 -19.846 -1.586
215 HB3 ARG 23 3HB ARG 23 -5.957 -20.656 -2.147
216 HG2 ARG 23 2HG ARG 23 -7.294 -22.206 -0.113
217 HG3 ARG 23 3HG ARG 23 -8.373 -21.836 -1.460
218 HD2 ARG 23 2HD ARG 23 -5.711 -22.631 -2.327
219 HD3 ARG 23 3HD ARG 23 -6.515 -23.873 -1.368
220 HE ARG 23 HE ARG 23 -8.181 -22.765 -3.427
221 HH11 ARG 23 1HH1 ARG 23 -5.747 -25.145 -2.698
222 HH12 ARG 23 2HH1 ARG 23 -6.192 -26.190 -4.006
223 HH21 ARG 23 1HH2 ARG 23 -8.776 -24.133 -5.152
224 HH22 ARG 23 2HH2 ARG 23 -7.914 -25.613 -5.402
225 H ARG 24 H ARG 24 -3.521 -20.681 -0.685
226 HA ARG 24 HA ARG 24 -1.976 -22.246 -0.105
227 HB2 ARG 24 2HB ARG 24 -3.449 -21.694 2.394
228 HB3 ARG 24 3HB ARG 24 -2.543 -23.201 2.372
229 HG2 ARG 24 2HG ARG 24 -0.694 -22.082 2.832
230 HG3 ARG 24 3HG ARG 24 -0.859 -21.195 1.316
231 HD2 ARG 24 2HD ARG 24 -0.772 -19.532 2.959
232 HD3 ARG 24 3HD ARG 24 -2.487 -19.688 2.582
233 HE ARG 24 HE ARG 24 -2.846 -20.366 4.730
234 HH11 ARG 24 1HH1 ARG 24 0.533 -20.753 3.985
235 HH12 ARG 24 2HH1 ARG 24 0.973 -21.192 5.602
236 HH21 ARG 24 1HH2 ARG 24 -2.279 -20.943 6.863
237 HH22 ARG 24 2HH2 ARG 24 -0.627 -21.300 7.239
Start of MODEL 17
1 H1 TRP 1 H TRP 1 2.633 -0.304 0.753
2 HA TRP 1 HA TRP 1 4.160 -0.471 -0.983
3 HB2 TRP 1 2HB TRP 1 2.573 -2.519 -1.679
4 HB3 TRP 1 3HB TRP 1 2.159 -1.400 -2.975
5 HD1 TRP 1 HD1 TRP 1 3.705 -1.462 -5.018
6 HE1 TRP 1 HE1 TRP 1 6.048 -2.397 -5.524
7 HE3 TRP 1 HE3 TRP 1 5.006 -2.979 -0.313
8 HZ2 TRP 1 HZ2 TRP 1 8.168 -3.618 -4.115
9 HZ3 TRP 1 HZ3 TRP 1 7.210 -4.022 0.023
10 HH2 TRP 1 HH2 TRP 1 8.756 -4.334 -1.841
11 H TRP 2 H TRP 2 4.625 1.540 -1.567
12 HA TRP 2 HA TRP 2 2.601 3.377 -2.453
13 HB2 TRP 2 2HB TRP 2 4.086 4.952 -1.855
14 HB3 TRP 2 3HB TRP 2 5.072 3.632 -1.233
15 HD1 TRP 2 HD1 TRP 2 7.342 3.163 -2.421
16 HE1 TRP 2 HE1 TRP 2 8.597 4.257 -4.384
17 HE3 TRP 2 HE3 TRP 2 3.608 6.168 -4.200
18 HZ2 TRP 2 HZ2 TRP 2 8.074 6.143 -6.417
19 HZ3 TRP 2 HZ3 TRP 2 4.067 7.586 -6.158
20 HH2 TRP 2 HH2 TRP 2 6.255 7.573 -7.241
21 H TRP 3 H TRP 3 5.127 1.462 -3.943
22 HA TRP 3 HA TRP 3 4.699 2.712 -6.537
23 HB2 TRP 3 2HB TRP 3 6.913 1.587 -5.362
24 HB3 TRP 3 3HB TRP 3 6.379 0.306 -6.446
25 HD1 TRP 3 HD1 TRP 3 6.215 4.090 -7.209
26 HE1 TRP 3 HE1 TRP 3 7.641 4.546 -9.303
27 HE3 TRP 3 HE3 TRP 3 8.171 -0.583 -7.891
28 HZ2 TRP 3 HZ2 TRP 3 9.366 3.114 -11.017
29 HZ3 TRP 3 HZ3 TRP 3 9.701 -0.957 -9.782
30 HH2 TRP 3 HH2 TRP 3 10.284 0.855 -11.312
31 H LYS 4 H LYS 4 2.563 1.172 -5.214
32 HA LYS 4 HA LYS 4 2.250 -1.364 -6.384
33 HB2 LYS 4 2HB LYS 4 0.935 -0.348 -4.450
34 HB3 LYS 4 3HB LYS 4 -0.014 0.494 -5.668
35 HG2 LYS 4 2HG LYS 4 -0.791 -1.575 -6.586
36 HG3 LYS 4 3HG LYS 4 0.295 -2.497 -5.543
37 HD2 LYS 4 2HD LYS 4 -1.937 -2.571 -4.632
38 HD3 LYS 4 3HD LYS 4 -0.909 -1.605 -3.571
39 HE2 LYS 4 2HE LYS 4 -1.999 0.175 -5.453
40 HE3 LYS 4 3HE LYS 4 -3.325 -0.866 -4.934
41 HZ1 LYS 4 3HZ LYS 4 -2.922 -0.286 -2.671
42 HZ2 LYS 4 1HZ LYS 4 -3.025 1.152 -3.557
43 HZ3 LYS 4 2HZ LYS 4 -1.515 0.566 -3.068
44 H TYR 5 H TYR 5 2.084 1.745 -7.742
45 HA TYR 5 HA TYR 5 0.155 1.404 -9.746
46 HB2 TYR 5 2HB TYR 5 2.684 3.040 -9.985
47 HB3 TYR 5 3HB TYR 5 1.167 3.291 -10.841
48 HD1 TYR 5 HD2 TYR 5 -0.807 3.069 -8.682
49 HD2 TYR 5 HD1 TYR 5 3.005 4.958 -8.710
50 HE1 TYR 5 HE2 TYR 5 -1.558 4.599 -6.909
51 HE2 TYR 5 HE1 TYR 5 2.265 6.492 -6.936
52 HH TYR 5 HH TYR 5 -0.335 5.989 -5.038
53 H GLU 6 H GLU 6 3.458 0.317 -9.498
54 HA GLU 6 HA GLU 6 3.565 -0.483 -12.290
55 HB2 GLU 6 2HB GLU 6 5.613 -1.195 -10.209
56 HB3 GLU 6 3HB GLU 6 5.833 -0.979 -11.940
57 HG2 GLU 6 2HG GLU 6 5.214 1.217 -9.978
58 HG3 GLU 6 3HG GLU 6 6.807 0.848 -10.635
59 H ILE 7 H ILE 7 2.315 -1.738 -9.478
60 HA ILE 7 HA ILE 7 2.923 -4.521 -10.063
61 HB ILE 7 HB ILE 7 1.480 -3.125 -7.839
62 HG12 ILE 7 2HG1 ILE 7 3.942 -3.459 -7.760
63 HG13 ILE 7 3HG1 ILE 7 3.098 -4.285 -6.454
64 HG21 ILE 7 1HG2 ILE 7 -0.040 -4.815 -7.974
65 HG22 ILE 7 2HG2 ILE 7 1.087 -5.916 -8.763
66 HG23 ILE 7 3HG2 ILE 7 1.201 -5.634 -7.026
67 HD11 ILE 7 3HD1 ILE 7 4.225 -5.518 -8.953
68 HD12 ILE 7 1HD1 ILE 7 4.809 -5.718 -7.301
69 HD13 ILE 7 2HD1 ILE 7 3.243 -6.381 -7.770
70 H THR 8 H THR 8 0.214 -2.282 -10.232
71 HA THR 8 HA THR 8 -1.901 -3.978 -10.687
72 HB THR 8 HB THR 8 -3.029 -2.194 -11.786
73 HG1 THR 8 HG1 THR 8 -0.489 -0.963 -12.196
74 HG21 THR 8 3HG2 THR 8 -2.691 -0.354 -10.289
75 HG22 THR 8 1HG2 THR 8 -1.041 -0.870 -9.941
76 HG23 THR 8 2HG2 THR 8 -2.404 -1.841 -9.385
77 H THR 9 H THR 9 0.779 -3.271 -12.767
78 HA THR 9 HA THR 9 -0.305 -3.998 -15.248
79 HB THR 9 HB THR 9 2.430 -3.751 -14.138
80 HG1 THR 9 HG1 THR 9 1.383 -2.996 -16.673
81 HG21 THR 9 3HG2 THR 9 1.764 -5.485 -16.502
82 HG22 THR 9 1HG2 THR 9 2.815 -5.847 -15.134
83 HG23 THR 9 2HG2 THR 9 3.324 -4.676 -16.350
84 H ILE 10 H ILE 10 1.656 -5.968 -13.009
85 HA ILE 10 HA ILE 10 0.973 -8.383 -14.454
86 HB ILE 10 HB ILE 10 2.543 -9.506 -13.146
87 HG12 ILE 10 2HG1 ILE 10 1.470 -8.499 -10.987
88 HG13 ILE 10 3HG1 ILE 10 3.149 -9.025 -10.955
89 HG21 ILE 10 1HG2 ILE 10 4.520 -7.978 -13.023
90 HG22 ILE 10 2HG2 ILE 10 3.675 -7.964 -14.570
91 HG23 ILE 10 3HG2 ILE 10 3.439 -6.644 -13.424
92 HD11 ILE 10 3HD1 ILE 10 2.623 -6.202 -11.667
93 HD12 ILE 10 1HD1 ILE 10 2.368 -6.687 -9.991
94 HD13 ILE 10 2HD1 ILE 10 3.946 -6.916 -10.745
95 H HIS 11 H HIS 11 -0.094 -6.662 -11.652
96 HA HIS 11 HA HIS 11 -1.242 -8.686 -10.131
97 HB2 HIS 11 2HB HIS 11 -1.067 -6.365 -9.359
98 HB3 HIS 11 3HB HIS 11 -2.258 -5.867 -10.557
99 HD1 HIS 11 HD1 HIS 11 -2.477 -8.841 -8.212
100 HD2 HIS 11 HD2 HIS 11 -4.369 -5.220 -8.965
101 HE1 HIS 11 HE1 HIS 11 -4.496 -8.814 -6.714
102 H ASN 12 H ASN 12 -2.131 -7.515 -13.219
103 HA ASN 12 HA ASN 12 -4.894 -8.275 -13.107
104 HB2 ASN 12 2HB ASN 12 -3.023 -7.312 -15.226
105 HB3 ASN 12 3HB ASN 12 -4.507 -8.117 -15.726
106 HD21 ASN 12 1HD2 ASN 12 -3.773 -5.391 -16.175
107 HD22 ASN 12 2HD2 ASN 12 -4.960 -4.409 -15.393
108 H LEU 13 H LEU 13 -1.949 -9.930 -13.570
109 HA LEU 13 HA LEU 13 -3.403 -12.286 -14.580
110 HB2 LEU 13 2HB LEU 13 -1.564 -12.949 -15.832
111 HB3 LEU 13 3HB LEU 13 -1.637 -11.206 -16.081
112 HG LEU 13 HG LEU 13 0.077 -11.546 -13.909
113 HD11 LEU 13 1HD1 LEU 13 1.447 -13.310 -14.243
114 HD12 LEU 13 2HD1 LEU 13 1.237 -13.285 -15.994
115 HD13 LEU 13 3HD1 LEU 13 -0.003 -14.005 -14.967
116 HD21 LEU 13 3HD2 LEU 13 1.112 -11.291 -16.695
117 HD22 LEU 13 1HD2 LEU 13 1.579 -10.419 -15.234
118 HD23 LEU 13 2HD2 LEU 13 0.060 -10.034 -16.044
119 H PHE 14 H PHE 14 -1.474 -10.950 -12.100
120 HA PHE 14 HA PHE 14 -0.463 -13.427 -11.060
121 HB2 PHE 14 2HB PHE 14 -0.225 -10.595 -10.437
122 HB3 PHE 14 3HB PHE 14 -0.407 -11.573 -8.984
123 HD1 PHE 14 HD2 PHE 14 1.235 -13.341 -8.471
124 HD2 PHE 14 HD1 PHE 14 1.763 -10.656 -11.731
125 HE1 PHE 14 HE2 PHE 14 3.616 -13.950 -8.583
126 HE2 PHE 14 HE1 PHE 14 4.145 -11.262 -11.849
127 HZ PHE 14 HZ PHE 14 5.074 -12.910 -10.272
128 H ARG 15 H ARG 15 -3.369 -11.583 -10.725
129 HA ARG 15 HA ARG 15 -4.296 -12.387 -8.238
130 HB2 ARG 15 2HB ARG 15 -6.572 -12.021 -9.165
131 HB3 ARG 15 3HB ARG 15 -5.461 -10.703 -9.515
132 HG2 ARG 15 2HG ARG 15 -6.187 -10.879 -11.611
133 HG3 ARG 15 3HG ARG 15 -5.166 -12.315 -11.706
134 HD2 ARG 15 2HD ARG 15 -6.933 -13.749 -11.556
135 HD3 ARG 15 3HD ARG 15 -7.892 -12.637 -10.582
136 HE ARG 15 HE ARG 15 -7.624 -11.552 -13.144
137 HH11 ARG 15 1HH1 ARG 15 -9.128 -14.263 -11.560
138 HH12 ARG 15 2HH1 ARG 15 -10.422 -14.382 -12.706
139 HH21 ARG 15 1HH2 ARG 15 -9.323 -11.698 -14.659
140 HH22 ARG 15 2HH2 ARG 15 -10.531 -12.923 -14.469
141 H LYS 16 H LYS 16 -4.131 -14.148 -11.243
142 HA LYS 16 HA LYS 16 -5.930 -16.225 -10.637
143 HB2 LYS 16 2HB LYS 16 -4.971 -17.404 -12.461
144 HB3 LYS 16 3HB LYS 16 -4.909 -15.699 -12.890
145 HG2 LYS 16 2HG LYS 16 -2.802 -16.239 -13.476
146 HG3 LYS 16 3HG LYS 16 -2.497 -15.943 -11.762
147 HD2 LYS 16 2HD LYS 16 -2.477 -18.237 -11.259
148 HD3 LYS 16 3HD LYS 16 -3.243 -18.666 -12.790
149 HE2 LYS 16 2HE LYS 16 -1.246 -18.047 -14.003
150 HE3 LYS 16 3HE LYS 16 -0.484 -17.479 -12.518
151 HZ1 LYS 16 3HZ LYS 16 -0.540 -20.088 -13.584
152 HZ2 LYS 16 1HZ LYS 16 -1.283 -20.096 -12.064
153 HZ3 LYS 16 2HZ LYS 16 0.296 -19.515 -12.230
154 H LEU 17 H LEU 17 -2.704 -15.570 -9.574
155 HA LEU 17 HA LEU 17 -2.361 -18.272 -8.523
156 HB2 LEU 17 2HB LEU 17 -0.481 -17.139 -9.653
157 HB3 LEU 17 3HB LEU 17 -0.506 -15.897 -8.402
158 HG LEU 17 HG LEU 17 -0.196 -18.109 -6.883
159 HD11 LEU 17 1HD1 LEU 17 0.550 -19.877 -7.990
160 HD12 LEU 17 2HD1 LEU 17 1.833 -18.916 -8.725
161 HD13 LEU 17 3HD1 LEU 17 0.256 -19.024 -9.506
162 HD21 LEU 17 3HD2 LEU 17 2.246 -16.944 -8.128
163 HD22 LEU 17 1HD2 LEU 17 1.894 -17.285 -6.434
164 HD23 LEU 17 2HD2 LEU 17 1.163 -15.886 -7.221
165 H THR 18 H THR 18 -2.948 -14.988 -7.461
166 HA THR 18 HA THR 18 -2.419 -15.219 -4.743
167 HB THR 18 HB THR 18 -3.942 -13.358 -4.393
168 HG1 THR 18 HG1 THR 18 -5.304 -12.668 -6.081
169 HG21 THR 18 3HG2 THR 18 -3.108 -11.838 -6.285
170 HG22 THR 18 1HG2 THR 18 -2.255 -13.262 -6.878
171 HG23 THR 18 2HG2 THR 18 -1.895 -12.623 -5.274
172 H HIS 19 H HIS 19 -5.267 -16.176 -6.583
173 HA HIS 19 HA HIS 19 -6.969 -16.728 -4.416
174 HB2 HIS 19 2HB HIS 19 -6.939 -17.216 -7.285
175 HB3 HIS 19 3HB HIS 19 -7.666 -18.552 -6.398
176 HD1 HIS 19 HD1 HIS 19 -9.772 -17.933 -4.895
177 HD2 HIS 19 HD2 HIS 19 -8.506 -14.976 -7.525
178 HE1 HIS 19 HE1 HIS 19 -11.682 -16.305 -5.045
179 H ARG 20 H ARG 20 -4.241 -18.409 -5.665
180 HA ARG 20 HA ARG 20 -4.943 -20.823 -4.143
181 HB2 ARG 20 2HB ARG 20 -2.696 -20.490 -6.134
182 HB3 ARG 20 3HB ARG 20 -3.296 -21.994 -5.448
183 HG2 ARG 20 2HG ARG 20 -4.848 -20.170 -7.273
184 HG3 ARG 20 3HG ARG 20 -4.040 -21.663 -7.755
185 HD2 ARG 20 2HD ARG 20 -5.469 -22.931 -6.234
186 HD3 ARG 20 3HD ARG 20 -6.265 -21.441 -5.730
187 HE ARG 20 HE ARG 20 -6.387 -21.905 -8.562
188 HH11 ARG 20 1HH1 ARG 20 -7.879 -22.578 -5.489
189 HH12 ARG 20 2HH1 ARG 20 -9.438 -22.904 -6.170
190 HH21 ARG 20 1HH2 ARG 20 -8.435 -22.333 -9.471
191 HH22 ARG 20 2HH2 ARG 20 -9.753 -22.766 -8.435
192 H LEU 21 H LEU 21 -2.979 -18.053 -4.079
193 HA LEU 21 HA LEU 21 -0.948 -19.227 -2.362
194 HB2 LEU 21 2HB LEU 21 0.075 -17.681 -3.690
195 HB3 LEU 21 3HB LEU 21 -1.340 -16.632 -3.744
196 HG LEU 21 HG LEU 21 -0.829 -15.849 -1.471
197 HD11 LEU 21 1HD1 LEU 21 1.860 -16.665 -1.209
198 HD12 LEU 21 2HD1 LEU 21 0.895 -18.117 -1.472
199 HD13 LEU 21 3HD1 LEU 21 0.500 -17.024 -0.146
200 HD21 LEU 21 3HD2 LEU 21 1.435 -15.617 -3.450
201 HD22 LEU 21 1HD2 LEU 21 1.202 -14.573 -2.048
202 HD23 LEU 21 2HD2 LEU 21 0.011 -14.580 -3.349
203 H PHE 22 H PHE 22 -3.741 -17.114 -2.146
204 HA PHE 22 HA PHE 22 -3.276 -16.571 0.667
205 HB2 PHE 22 2HB PHE 22 -5.318 -15.679 -1.344
206 HB3 PHE 22 3HB PHE 22 -5.605 -15.440 0.376
207 HD1 PHE 22 HD1 PHE 22 -4.105 -13.986 1.688
208 HD2 PHE 22 HD2 PHE 22 -3.764 -14.343 -2.539
209 HE1 PHE 22 HE1 PHE 22 -2.762 -11.925 1.626
210 HE2 PHE 22 HE2 PHE 22 -2.420 -12.283 -2.608
211 HZ PHE 22 HZ PHE 22 -1.917 -11.072 -0.524
212 H ARG 23 H ARG 23 -5.122 -18.727 -1.318
213 HA ARG 23 HA ARG 23 -7.075 -19.464 0.604
214 HB2 ARG 23 2HB ARG 23 -7.530 -19.938 -1.688
215 HB3 ARG 23 3HB ARG 23 -6.027 -20.832 -1.870
216 HG2 ARG 23 2HG ARG 23 -7.714 -21.949 0.205
217 HG3 ARG 23 3HG ARG 23 -8.522 -21.893 -1.363
218 HD2 ARG 23 2HD ARG 23 -5.777 -22.794 -1.587
219 HD3 ARG 23 3HD ARG 23 -6.714 -23.809 -0.491
220 HE ARG 23 HE ARG 23 -6.952 -23.679 -3.328
221 HH11 ARG 23 1HH1 ARG 23 -8.744 -24.209 -0.390
222 HH12 ARG 23 2HH1 ARG 23 -9.958 -25.182 -1.152
223 HH21 ARG 23 1HH2 ARG 23 -8.545 -24.959 -4.342
224 HH22 ARG 23 2HH2 ARG 23 -9.844 -25.608 -3.400
225 H ARG 24 H ARG 24 -3.805 -20.498 -0.047
226 HA ARG 24 HA ARG 24 -3.950 -22.864 1.571
227 HB2 ARG 24 2HB ARG 24 -2.120 -21.751 -0.276
228 HB3 ARG 24 3HB ARG 24 -1.260 -21.917 1.248
229 HG2 ARG 24 2HG ARG 24 -0.924 -24.045 0.743
230 HG3 ARG 24 3HG ARG 24 -2.658 -24.309 0.934
231 HD2 ARG 24 2HD ARG 24 -3.048 -24.296 -1.313
232 HD3 ARG 24 3HD ARG 24 -1.711 -23.196 -1.647
233 HE ARG 24 HE ARG 24 -1.619 -26.068 -1.581
234 HH11 ARG 24 1HH1 ARG 24 0.228 -23.133 -1.271
235 HH12 ARG 24 2HH1 ARG 24 1.733 -23.882 -1.689
236 HH21 ARG 24 1HH2 ARG 24 0.357 -27.066 -2.133
237 HH22 ARG 24 2HH2 ARG 24 1.805 -26.119 -2.180
Start of MODEL 18
1 H1 TRP 1 H TRP 1 3.328 -0.975 1.252
2 HA TRP 1 HA TRP 1 4.286 -0.795 -0.806
3 HB2 TRP 1 2HB TRP 1 2.566 -2.907 -0.886
4 HB3 TRP 1 3HB TRP 1 1.981 -1.945 -2.241
5 HD1 TRP 1 HD1 TRP 1 3.070 -2.612 -4.445
6 HE1 TRP 1 HE1 TRP 1 5.340 -3.581 -5.176
7 HE3 TRP 1 HE3 TRP 1 5.343 -2.887 0.125
8 HZ2 TRP 1 HZ2 TRP 1 7.772 -4.360 -3.973
9 HZ3 TRP 1 HZ3 TRP 1 7.642 -3.756 0.249
10 HH2 TRP 1 HH2 TRP 1 8.829 -4.478 -1.759
11 H TRP 2 H TRP 2 4.489 1.191 -1.604
12 HA TRP 2 HA TRP 2 2.111 2.663 -2.454
13 HB2 TRP 2 2HB TRP 2 3.205 4.449 -1.673
14 HB3 TRP 2 3HB TRP 2 4.543 3.401 -1.211
15 HD1 TRP 2 HD1 TRP 2 3.647 6.165 -3.556
16 HE1 TRP 2 HE1 TRP 2 5.630 6.670 -5.118
17 HE3 TRP 2 HE3 TRP 2 6.558 2.093 -2.515
18 HZ2 TRP 2 HZ2 TRP 2 8.100 5.496 -5.817
19 HZ3 TRP 2 HZ3 TRP 2 8.716 1.858 -3.674
20 HH2 TRP 2 HH2 TRP 2 9.469 3.526 -5.291
21 H TRP 3 H TRP 3 4.780 0.931 -3.744
22 HA TRP 3 HA TRP 3 4.625 2.186 -6.355
23 HB2 TRP 3 2HB TRP 3 6.640 0.883 -4.995
24 HB3 TRP 3 3HB TRP 3 6.129 -0.320 -6.176
25 HD1 TRP 3 HD1 TRP 3 6.155 3.450 -6.930
26 HE1 TRP 3 HE1 TRP 3 7.861 3.890 -8.806
27 HE3 TRP 3 HE3 TRP 3 8.185 -1.228 -7.294
28 HZ2 TRP 3 HZ2 TRP 3 9.809 2.445 -10.250
29 HZ3 TRP 3 HZ3 TRP 3 9.965 -1.616 -8.949
30 HH2 TRP 3 HH2 TRP 3 10.758 0.184 -10.395
31 H LYS 4 H LYS 4 2.414 0.522 -5.027
32 HA LYS 4 HA LYS 4 2.039 -1.878 -6.386
33 HB2 LYS 4 2HB LYS 4 0.612 -0.409 -4.543
34 HB3 LYS 4 3HB LYS 4 -0.428 -0.356 -5.960
35 HG2 LYS 4 2HG LYS 4 0.678 -2.996 -5.235
36 HG3 LYS 4 3HG LYS 4 -0.527 -2.308 -4.143
37 HD2 LYS 4 2HD LYS 4 -2.113 -2.099 -5.940
38 HD3 LYS 4 3HD LYS 4 -0.900 -2.593 -7.123
39 HE2 LYS 4 2HE LYS 4 -2.324 -4.466 -6.676
40 HE3 LYS 4 3HE LYS 4 -0.747 -4.786 -5.957
41 HZ1 LYS 4 3HZ LYS 4 -3.249 -4.754 -4.703
42 HZ2 LYS 4 1HZ LYS 4 -2.329 -3.494 -4.049
43 HZ3 LYS 4 2HZ LYS 4 -1.737 -5.078 -4.016
44 H TYR 5 H TYR 5 1.873 1.344 -7.537
45 HA TYR 5 HA TYR 5 0.043 1.126 -9.631
46 HB2 TYR 5 2HB TYR 5 2.587 2.750 -9.724
47 HB3 TYR 5 3HB TYR 5 1.075 3.075 -10.564
48 HD1 TYR 5 HD2 TYR 5 -0.954 2.850 -8.537
49 HD2 TYR 5 HD1 TYR 5 2.973 4.455 -8.213
50 HE1 TYR 5 HE2 TYR 5 -1.693 4.266 -6.667
51 HE2 TYR 5 HE1 TYR 5 2.245 5.874 -6.341
52 HH TYR 5 HH TYR 5 -0.406 5.394 -4.593
53 H GLU 6 H GLU 6 3.311 -0.033 -9.333
54 HA GLU 6 HA GLU 6 3.467 -0.691 -12.170
55 HB2 GLU 6 2HB GLU 6 5.543 -1.474 -10.157
56 HB3 GLU 6 3HB GLU 6 5.740 -1.076 -11.858
57 HG2 GLU 6 2HG GLU 6 4.807 1.273 -10.874
58 HG3 GLU 6 3HG GLU 6 5.729 0.661 -9.501
59 H ILE 7 H ILE 7 1.993 -2.026 -9.619
60 HA ILE 7 HA ILE 7 2.722 -4.794 -10.269
61 HB ILE 7 HB ILE 7 1.363 -3.536 -7.912
62 HG12 ILE 7 2HG1 ILE 7 3.829 -3.838 -7.948
63 HG13 ILE 7 3HG1 ILE 7 3.050 -4.752 -6.661
64 HG21 ILE 7 1HG2 ILE 7 -0.147 -5.245 -8.145
65 HG22 ILE 7 2HG2 ILE 7 1.012 -6.307 -8.942
66 HG23 ILE 7 3HG2 ILE 7 1.105 -6.051 -7.200
67 HD11 ILE 7 3HD1 ILE 7 3.166 -6.765 -8.104
68 HD12 ILE 7 1HD1 ILE 7 4.090 -5.820 -9.271
69 HD13 ILE 7 2HD1 ILE 7 4.740 -6.109 -7.657
70 H THR 8 H THR 8 -0.018 -2.578 -10.140
71 HA THR 8 HA THR 8 -2.141 -4.241 -10.614
72 HB THR 8 HB THR 8 -3.316 -2.404 -11.566
73 HG1 THR 8 HG1 THR 8 -2.252 -0.642 -12.487
74 HG21 THR 8 3HG2 THR 8 -2.934 -0.663 -9.986
75 HG22 THR 8 1HG2 THR 8 -1.247 -1.132 -9.780
76 HG23 THR 8 2HG2 THR 8 -2.532 -2.179 -9.179
77 H THR 9 H THR 9 0.385 -3.303 -12.830
78 HA THR 9 HA THR 9 -0.772 -3.919 -15.276
79 HB THR 9 HB THR 9 1.335 -2.907 -15.402
80 HG1 THR 9 HG1 THR 9 1.182 -4.497 -16.998
81 HG21 THR 9 3HG2 THR 9 2.912 -3.183 -13.853
82 HG22 THR 9 1HG2 THR 9 3.112 -4.876 -14.303
83 HG23 THR 9 2HG2 THR 9 1.907 -4.420 -13.099
84 H ILE 10 H ILE 10 1.146 -6.073 -13.178
85 HA ILE 10 HA ILE 10 0.314 -8.376 -14.753
86 HB ILE 10 HB ILE 10 1.928 -9.638 -13.609
87 HG12 ILE 10 2HG1 ILE 10 1.133 -8.626 -11.336
88 HG13 ILE 10 3HG1 ILE 10 2.781 -9.226 -11.486
89 HG21 ILE 10 1HG2 ILE 10 3.974 -8.123 -13.595
90 HG22 ILE 10 2HG2 ILE 10 3.055 -8.214 -15.096
91 HG23 ILE 10 3HG2 ILE 10 2.870 -6.819 -14.034
92 HD11 ILE 10 3HD1 ILE 10 2.135 -6.831 -10.460
93 HD12 ILE 10 1HD1 ILE 10 3.681 -7.187 -11.230
94 HD13 ILE 10 2HD1 ILE 10 2.402 -6.388 -12.145
95 H HIS 11 H HIS 11 -0.499 -6.773 -11.815
96 HA HIS 11 HA HIS 11 -1.553 -8.827 -10.275
97 HB2 HIS 11 2HB HIS 11 -1.303 -6.482 -9.513
98 HB3 HIS 11 3HB HIS 11 -2.651 -6.020 -10.547
99 HD1 HIS 11 HD1 HIS 11 -2.541 -9.067 -8.306
100 HD2 HIS 11 HD2 HIS 11 -4.497 -5.415 -8.621
101 HE1 HIS 11 HE1 HIS 11 -4.339 -9.114 -6.550
102 H ASN 12 H ASN 12 -2.667 -7.555 -13.254
103 HA ASN 12 HA ASN 12 -5.414 -8.312 -12.970
104 HB2 ASN 12 2HB ASN 12 -3.697 -7.194 -15.103
105 HB3 ASN 12 3HB ASN 12 -5.068 -8.152 -15.654
106 HD21 ASN 12 1HD2 ASN 12 -4.124 -5.390 -13.705
107 HD22 ASN 12 2HD2 ASN 12 -5.636 -4.560 -13.815
108 H LEU 13 H LEU 13 -2.521 -9.975 -13.680
109 HA LEU 13 HA LEU 13 -4.061 -12.298 -14.638
110 HB2 LEU 13 2HB LEU 13 -2.318 -12.944 -16.022
111 HB3 LEU 13 3HB LEU 13 -2.364 -11.192 -16.211
112 HG LEU 13 HG LEU 13 -0.529 -11.475 -14.217
113 HD11 LEU 13 1HD1 LEU 13 0.651 -13.381 -14.315
114 HD12 LEU 13 2HD1 LEU 13 0.480 -13.520 -16.065
115 HD13 LEU 13 3HD1 LEU 13 -0.828 -14.049 -15.006
116 HD21 LEU 13 3HD2 LEU 13 1.002 -11.550 -16.501
117 HD22 LEU 13 1HD2 LEU 13 0.317 -10.103 -15.760
118 HD23 LEU 13 2HD2 LEU 13 -0.540 -10.912 -17.073
119 H PHE 14 H PHE 14 -1.924 -11.040 -12.274
120 HA PHE 14 HA PHE 14 -0.918 -13.560 -11.342
121 HB2 PHE 14 2HB PHE 14 -0.565 -10.742 -10.687
122 HB3 PHE 14 3HB PHE 14 -0.645 -11.755 -9.249
123 HD1 PHE 14 HD2 PHE 14 0.996 -13.567 -8.921
124 HD2 PHE 14 HD1 PHE 14 1.306 -10.805 -12.144
125 HE1 PHE 14 HE2 PHE 14 3.346 -14.217 -9.247
126 HE2 PHE 14 HE1 PHE 14 3.657 -11.452 -12.477
127 HZ PHE 14 HZ PHE 14 4.680 -13.159 -11.026
128 H ARG 15 H ARG 15 -3.801 -11.773 -10.904
129 HA ARG 15 HA ARG 15 -4.569 -12.507 -8.325
130 HB2 ARG 15 2HB ARG 15 -6.844 -12.036 -9.026
131 HB3 ARG 15 3HB ARG 15 -5.753 -10.838 -9.708
132 HG2 ARG 15 2HG ARG 15 -5.782 -12.565 -11.737
133 HG3 ARG 15 3HG ARG 15 -7.367 -12.918 -11.047
134 HD2 ARG 15 2HD ARG 15 -6.495 -10.099 -11.577
135 HD3 ARG 15 3HD ARG 15 -7.188 -11.094 -12.857
136 HE ARG 15 HE ARG 15 -8.844 -11.147 -10.567
137 HH11 ARG 15 1HH1 ARG 15 -7.884 -9.085 -13.203
138 HH12 ARG 15 2HH1 ARG 15 -9.368 -8.191 -13.215
139 HH21 ARG 15 1HH2 ARG 15 -10.802 -9.977 -10.573
140 HH22 ARG 15 2HH2 ARG 15 -11.027 -8.699 -11.718
141 H LYS 16 H LYS 16 -4.352 -14.373 -11.212
142 HA LYS 16 HA LYS 16 -6.161 -16.448 -10.407
143 HB2 LYS 16 2HB LYS 16 -5.488 -17.592 -12.369
144 HB3 LYS 16 3HB LYS 16 -5.503 -15.885 -12.792
145 HG2 LYS 16 2HG LYS 16 -2.976 -15.993 -12.167
146 HG3 LYS 16 3HG LYS 16 -3.186 -17.726 -12.425
147 HD2 LYS 16 2HD LYS 16 -4.232 -15.856 -14.490
148 HD3 LYS 16 3HD LYS 16 -2.487 -16.102 -14.393
149 HE2 LYS 16 2HE LYS 16 -2.721 -18.445 -14.754
150 HE3 LYS 16 3HE LYS 16 -4.471 -18.361 -14.565
151 HZ1 LYS 16 3HZ LYS 16 -3.846 -18.530 -16.888
152 HZ2 LYS 16 1HZ LYS 16 -2.908 -17.128 -16.769
153 HZ3 LYS 16 2HZ LYS 16 -4.587 -17.040 -16.587
154 H LEU 17 H LEU 17 -2.948 -15.623 -9.633
155 HA LEU 17 HA LEU 17 -2.075 -18.295 -8.993
156 HB2 LEU 17 2HB LEU 17 -0.527 -16.511 -9.739
157 HB3 LEU 17 3HB LEU 17 -0.851 -15.646 -8.238
158 HG LEU 17 HG LEU 17 0.111 -17.578 -6.993
159 HD11 LEU 17 1HD1 LEU 17 -0.079 -19.423 -8.382
160 HD12 LEU 17 2HD1 LEU 17 1.638 -19.033 -8.480
161 HD13 LEU 17 3HD1 LEU 17 0.551 -18.560 -9.786
162 HD21 LEU 17 3HD2 LEU 17 2.343 -16.912 -7.302
163 HD22 LEU 17 1HD2 LEU 17 1.380 -15.498 -7.729
164 HD23 LEU 17 2HD2 LEU 17 2.076 -16.506 -8.998
165 H THR 18 H THR 18 -3.550 -15.606 -7.338
166 HA THR 18 HA THR 18 -2.989 -16.122 -4.696
167 HB THR 18 HB THR 18 -5.115 -15.071 -4.122
168 HG1 THR 18 HG1 THR 18 -6.643 -14.649 -5.742
169 HG21 THR 18 3HG2 THR 18 -4.911 -13.022 -5.638
170 HG22 THR 18 1HG2 THR 18 -3.604 -13.891 -6.440
171 HG23 THR 18 2HG2 THR 18 -3.477 -13.493 -4.727
172 H HIS 19 H HIS 19 -5.182 -17.823 -6.837
173 HA HIS 19 HA HIS 19 -6.741 -19.246 -5.074
174 HB2 HIS 19 2HB HIS 19 -5.863 -19.567 -7.834
175 HB3 HIS 19 3HB HIS 19 -6.127 -21.114 -7.036
176 HD1 HIS 19 HD1 HIS 19 -8.039 -17.824 -7.294
177 HD2 HIS 19 HD2 HIS 19 -8.677 -21.929 -7.329
178 HE1 HIS 19 HE1 HIS 19 -10.511 -18.117 -7.653
179 H ARG 20 H ARG 20 -3.363 -19.668 -5.822
180 HA ARG 20 HA ARG 20 -3.273 -21.963 -3.975
181 HB2 ARG 20 2HB ARG 20 -1.519 -22.910 -5.195
182 HB3 ARG 20 3HB ARG 20 -2.592 -22.288 -6.441
183 HG2 ARG 20 2HG ARG 20 -0.656 -21.480 -7.265
184 HG3 ARG 20 3HG ARG 20 -1.009 -20.158 -6.150
185 HD2 ARG 20 2HD ARG 20 0.782 -20.616 -4.903
186 HD3 ARG 20 3HD ARG 20 0.386 -22.333 -4.841
187 HE ARG 20 HE ARG 20 1.516 -21.492 -7.347
188 HH11 ARG 20 1HH1 ARG 20 2.205 -22.598 -4.118
189 HH12 ARG 20 2HH1 ARG 20 3.768 -23.224 -4.526
190 HH21 ARG 20 1HH2 ARG 20 3.572 -22.313 -7.896
191 HH22 ARG 20 2HH2 ARG 20 4.545 -23.061 -6.675
192 H LEU 21 H LEU 21 -2.099 -18.802 -4.710
193 HA LEU 21 HA LEU 21 0.273 -18.721 -3.256
194 HB2 LEU 21 2HB LEU 21 -1.186 -16.930 -4.692
195 HB3 LEU 21 3HB LEU 21 -1.409 -16.324 -3.052
196 HG LEU 21 HG LEU 21 1.373 -16.922 -3.835
197 HD11 LEU 21 1HD1 LEU 21 0.033 -15.760 -5.803
198 HD12 LEU 21 2HD1 LEU 21 1.677 -15.283 -5.382
199 HD13 LEU 21 3HD1 LEU 21 0.309 -14.329 -4.809
200 HD21 LEU 21 3HD2 LEU 21 0.401 -15.841 -1.678
201 HD22 LEU 21 1HD2 LEU 21 0.329 -14.379 -2.663
202 HD23 LEU 21 2HD2 LEU 21 1.874 -15.188 -2.396
203 H PHE 22 H PHE 22 -2.801 -17.331 -2.105
204 HA PHE 22 HA PHE 22 -2.072 -18.223 0.607
205 HB2 PHE 22 2HB PHE 22 -2.891 -16.223 1.532
206 HB3 PHE 22 3HB PHE 22 -2.003 -15.700 0.105
207 HD1 PHE 22 HD2 PHE 22 -5.305 -16.098 1.618
208 HD2 PHE 22 HD1 PHE 22 -3.152 -14.803 -1.818
209 HE1 PHE 22 HE2 PHE 22 -7.312 -14.931 0.805
210 HE2 PHE 22 HE1 PHE 22 -5.156 -13.633 -2.637
211 HZ PHE 22 HZ PHE 22 -7.240 -13.697 -1.326
212 H ARG 23 H ARG 23 -4.587 -17.834 -1.782
213 HA ARG 23 HA ARG 23 -6.839 -18.419 -0.249
214 HB2 ARG 23 2HB ARG 23 -6.896 -17.629 -2.596
215 HB3 ARG 23 3HB ARG 23 -6.325 -19.207 -3.122
216 HG2 ARG 23 2HG ARG 23 -8.691 -19.082 -3.457
217 HG3 ARG 23 3HG ARG 23 -8.362 -20.219 -2.148
218 HD2 ARG 23 2HD ARG 23 -9.634 -19.042 -0.761
219 HD3 ARG 23 3HD ARG 23 -8.666 -17.598 -1.057
220 HE ARG 23 HE ARG 23 -10.441 -17.975 -3.202
221 HH11 ARG 23 1HH1 ARG 23 -10.445 -17.097 0.167
222 HH12 ARG 23 2HH1 ARG 23 -11.872 -16.122 0.046
223 HH21 ARG 23 1HH2 ARG 23 -12.321 -16.694 -3.374
224 HH22 ARG 23 2HH2 ARG 23 -12.939 -15.894 -1.969
225 H ARG 24 H ARG 24 -4.294 -20.476 -1.392
226 HA ARG 24 HA ARG 24 -5.479 -22.968 -1.416
227 HB2 ARG 24 2HB ARG 24 -3.281 -23.889 -0.965
228 HB3 ARG 24 3HB ARG 24 -3.135 -22.520 -2.059
229 HG2 ARG 24 2HG ARG 24 -1.442 -22.016 -0.647
230 HG3 ARG 24 3HG ARG 24 -2.756 -21.227 0.228
231 HD2 ARG 24 2HD ARG 24 -2.897 -22.940 1.803
232 HD3 ARG 24 3HD ARG 24 -2.043 -24.085 0.770
233 HE ARG 24 HE ARG 24 -0.074 -23.319 1.633
234 HH11 ARG 24 1HH1 ARG 24 -2.558 -20.958 2.245
235 HH12 ARG 24 2HH1 ARG 24 -1.543 -19.953 3.225
236 HH21 ARG 24 1HH2 ARG 24 1.272 -22.005 2.922
237 HH22 ARG 24 2HH2 ARG 24 0.635 -20.549 3.609
Start of MODEL 19
1 H1 TRP 1 H TRP 1 2.389 0.368 1.089
2 HA TRP 1 HA TRP 1 3.635 0.009 -0.841
3 HB2 TRP 1 2HB TRP 1 2.023 -2.188 -0.966
4 HB3 TRP 1 3HB TRP 1 1.494 -1.297 -2.391
5 HD1 TRP 1 HD1 TRP 1 2.726 -2.112 -4.467
6 HE1 TRP 1 HE1 TRP 1 5.102 -2.941 -5.009
7 HE3 TRP 1 HE3 TRP 1 4.776 -1.817 0.207
8 HZ2 TRP 1 HZ2 TRP 1 7.524 -3.409 -3.637
9 HZ3 TRP 1 HZ3 TRP 1 7.128 -2.475 0.507
10 HH2 TRP 1 HH2 TRP 1 8.472 -3.255 -1.377
11 H TRP 2 H TRP 2 3.786 1.992 -1.664
12 HA TRP 2 HA TRP 2 1.409 3.319 -2.716
13 HB2 TRP 2 2HB TRP 2 2.380 5.153 -1.889
14 HB3 TRP 2 3HB TRP 2 3.775 4.195 -1.400
15 HD1 TRP 2 HD1 TRP 2 2.691 6.806 -3.876
16 HE1 TRP 2 HE1 TRP 2 4.678 7.448 -5.381
17 HE3 TRP 2 HE3 TRP 2 5.953 3.103 -2.537
18 HZ2 TRP 2 HZ2 TRP 2 7.283 6.509 -5.928
19 HZ3 TRP 2 HZ3 TRP 2 8.172 3.046 -3.598
20 HH2 TRP 2 HH2 TRP 2 8.821 4.714 -5.259
21 H TRP 3 H TRP 3 4.282 1.735 -3.786
22 HA TRP 3 HA TRP 3 4.150 2.858 -6.459
23 HB2 TRP 3 2HB TRP 3 6.212 1.845 -4.951
24 HB3 TRP 3 3HB TRP 3 5.875 0.519 -6.060
25 HD1 TRP 3 HD1 TRP 3 5.655 4.254 -6.997
26 HE1 TRP 3 HE1 TRP 3 7.363 4.715 -8.867
27 HE3 TRP 3 HE3 TRP 3 7.942 -0.315 -7.150
28 HZ2 TRP 3 HZ2 TRP 3 9.408 3.325 -10.227
29 HZ3 TRP 3 HZ3 TRP 3 9.765 -0.668 -8.765
30 HH2 TRP 3 HH2 TRP 3 10.481 1.115 -10.271
31 H LYS 4 H LYS 4 1.995 1.115 -5.222
32 HA LYS 4 HA LYS 4 1.922 -1.398 -6.426
33 HB2 LYS 4 2HB LYS 4 0.332 -0.254 -4.681
34 HB3 LYS 4 3HB LYS 4 -0.581 0.216 -6.108
35 HG2 LYS 4 2HG LYS 4 -1.001 -2.031 -6.699
36 HG3 LYS 4 3HG LYS 4 0.185 -2.632 -5.539
37 HD2 LYS 4 2HD LYS 4 -1.267 -2.535 -3.829
38 HD3 LYS 4 3HD LYS 4 -1.916 -0.977 -4.347
39 HE2 LYS 4 2HE LYS 4 -2.574 -3.473 -5.862
40 HE3 LYS 4 3HE LYS 4 -3.442 -3.079 -4.380
41 HZ1 LYS 4 3HZ LYS 4 -3.575 -0.757 -5.681
42 HZ2 LYS 4 1HZ LYS 4 -4.760 -1.959 -5.790
43 HZ3 LYS 4 2HZ LYS 4 -3.577 -1.828 -6.991
44 H TYR 5 H TYR 5 1.615 1.715 -7.812
45 HA TYR 5 HA TYR 5 -0.030 1.221 -10.011
46 HB2 TYR 5 2HB TYR 5 2.390 3.027 -10.031
47 HB3 TYR 5 3HB TYR 5 0.932 3.178 -11.005
48 HD1 TYR 5 HD2 TYR 5 -1.218 2.889 -9.082
49 HD2 TYR 5 HD1 TYR 5 2.512 4.894 -8.667
50 HE1 TYR 5 HE2 TYR 5 -2.207 4.363 -7.380
51 HE2 TYR 5 HE1 TYR 5 1.533 6.373 -6.963
52 HH TYR 5 HH TYR 5 -1.751 5.885 -5.774
53 H GLU 6 H GLU 6 3.283 0.345 -9.400
54 HA GLU 6 HA GLU 6 3.738 -0.449 -12.161
55 HB2 GLU 6 2HB GLU 6 5.637 -1.077 -9.937
56 HB3 GLU 6 3HB GLU 6 5.979 -0.683 -11.616
57 HG2 GLU 6 2HG GLU 6 5.011 1.253 -9.525
58 HG3 GLU 6 3HG GLU 6 6.671 1.096 -10.097
59 H ILE 7 H ILE 7 2.114 -1.758 -9.663
60 HA ILE 7 HA ILE 7 3.000 -4.510 -10.164
61 HB ILE 7 HB ILE 7 1.421 -3.239 -7.955
62 HG12 ILE 7 2HG1 ILE 7 3.894 -3.427 -7.805
63 HG13 ILE 7 3HG1 ILE 7 3.064 -4.333 -6.545
64 HG21 ILE 7 1HG2 ILE 7 0.009 -5.023 -8.233
65 HG22 ILE 7 2HG2 ILE 7 1.268 -6.055 -8.907
66 HG23 ILE 7 3HG2 ILE 7 1.223 -5.739 -7.173
67 HD11 ILE 7 3HD1 ILE 7 4.883 -5.639 -7.369
68 HD12 ILE 7 1HD1 ILE 7 3.375 -6.386 -7.897
69 HD13 ILE 7 2HD1 ILE 7 4.337 -5.439 -9.033
70 H THR 8 H THR 8 0.174 -2.410 -10.318
71 HA THR 8 HA THR 8 -1.842 -4.178 -10.877
72 HB THR 8 HB THR 8 -3.017 -2.426 -11.979
73 HG1 THR 8 HG1 THR 8 -2.024 -1.109 -13.300
74 HG21 THR 8 3HG2 THR 8 -2.821 -0.618 -10.442
75 HG22 THR 8 1HG2 THR 8 -1.136 -1.006 -10.099
76 HG23 THR 8 2HG2 THR 8 -2.419 -2.085 -9.552
77 H THR 9 H THR 9 0.798 -3.208 -12.942
78 HA THR 9 HA THR 9 -0.152 -3.957 -15.439
79 HB THR 9 HB THR 9 1.917 -2.861 -15.452
80 HG1 THR 9 HG1 THR 9 2.839 -5.503 -15.844
81 HG21 THR 9 3HG2 THR 9 3.684 -4.715 -14.156
82 HG22 THR 9 1HG2 THR 9 2.379 -4.268 -13.058
83 HG23 THR 9 2HG2 THR 9 3.388 -3.017 -13.785
84 H ILE 10 H ILE 10 1.693 -5.955 -13.131
85 HA ILE 10 HA ILE 10 1.071 -8.343 -14.674
86 HB ILE 10 HB ILE 10 2.645 -9.496 -13.369
87 HG12 ILE 10 2HG1 ILE 10 1.648 -8.435 -11.200
88 HG13 ILE 10 3HG1 ILE 10 3.324 -8.973 -11.208
89 HG21 ILE 10 1HG2 ILE 10 4.623 -7.895 -13.267
90 HG22 ILE 10 2HG2 ILE 10 3.821 -8.081 -14.826
91 HG23 ILE 10 3HG2 ILE 10 3.504 -6.657 -13.835
92 HD11 ILE 10 3HD1 ILE 10 2.881 -6.178 -12.002
93 HD12 ILE 10 1HD1 ILE 10 2.518 -6.572 -10.322
94 HD13 ILE 10 2HD1 ILE 10 4.125 -6.889 -10.975
95 H HIS 11 H HIS 11 -0.020 -6.676 -11.864
96 HA HIS 11 HA HIS 11 -1.101 -8.718 -10.328
97 HB2 HIS 11 2HB HIS 11 -1.001 -6.339 -9.640
98 HB3 HIS 11 3HB HIS 11 -2.289 -5.973 -10.784
99 HD1 HIS 11 HD1 HIS 11 -2.217 -8.933 -8.429
100 HD2 HIS 11 HD2 HIS 11 -4.290 -5.381 -9.014
101 HE1 HIS 11 HE1 HIS 11 -4.133 -8.997 -6.802
102 H ASN 12 H ASN 12 -2.042 -7.599 -13.425
103 HA ASN 12 HA ASN 12 -4.770 -8.464 -13.311
104 HB2 ASN 12 2HB ASN 12 -3.000 -7.211 -15.263
105 HB3 ASN 12 3HB ASN 12 -4.070 -8.404 -15.993
106 HD21 ASN 12 1HD2 ASN 12 -4.386 -5.998 -13.401
107 HD22 ASN 12 2HD2 ASN 12 -5.817 -5.261 -14.030
108 H LEU 13 H LEU 13 -1.768 -10.024 -13.746
109 HA LEU 13 HA LEU 13 -3.138 -12.441 -14.729
110 HB2 LEU 13 2HB LEU 13 -1.251 -13.070 -15.936
111 HB3 LEU 13 3HB LEU 13 -1.394 -11.339 -16.229
112 HG LEU 13 HG LEU 13 0.304 -11.510 -14.043
113 HD11 LEU 13 1HD1 LEU 13 1.482 -13.385 -16.019
114 HD12 LEU 13 2HD1 LEU 13 0.327 -14.029 -14.853
115 HD13 LEU 13 3HD1 LEU 13 1.788 -13.218 -14.290
116 HD21 LEU 13 3HD2 LEU 13 0.410 -9.985 -15.999
117 HD22 LEU 13 1HD2 LEU 13 1.077 -11.312 -16.951
118 HD23 LEU 13 2HD2 LEU 13 1.971 -10.684 -15.565
119 H PHE 14 H PHE 14 -1.233 -11.014 -12.264
120 HA PHE 14 HA PHE 14 -0.199 -13.456 -11.168
121 HB2 PHE 14 2HB PHE 14 -0.009 -10.605 -10.593
122 HB3 PHE 14 3HB PHE 14 -0.153 -11.572 -9.129
123 HD1 PHE 14 HD2 PHE 14 1.532 -13.300 -8.620
124 HD2 PHE 14 HD1 PHE 14 1.964 -10.635 -11.910
125 HE1 PHE 14 HE2 PHE 14 3.924 -13.860 -8.754
126 HE2 PHE 14 HE1 PHE 14 4.357 -11.191 -12.050
127 HZ PHE 14 HZ PHE 14 5.340 -12.804 -10.470
128 H ARG 15 H ARG 15 -3.118 -11.621 -10.859
129 HA ARG 15 HA ARG 15 -4.028 -12.423 -8.357
130 HB2 ARG 15 2HB ARG 15 -6.248 -11.886 -9.136
131 HB3 ARG 15 3HB ARG 15 -5.115 -10.714 -9.796
132 HG2 ARG 15 2HG ARG 15 -5.098 -12.352 -11.843
133 HG3 ARG 15 3HG ARG 15 -6.654 -12.850 -11.176
134 HD2 ARG 15 2HD ARG 15 -5.842 -10.065 -11.997
135 HD3 ARG 15 3HD ARG 15 -6.996 -11.114 -12.819
136 HE ARG 15 HE ARG 15 -7.495 -9.464 -10.543
137 HH11 ARG 15 1HH1 ARG 15 -8.416 -12.425 -12.127
138 HH12 ARG 15 2HH1 ARG 15 -10.008 -12.448 -11.443
139 HH21 ARG 15 1HH2 ARG 15 -9.588 -9.484 -9.636
140 HH22 ARG 15 2HH2 ARG 15 -10.674 -10.775 -10.027
141 H LYS 16 H LYS 16 -3.772 -14.200 -11.318
142 HA LYS 16 HA LYS 16 -5.609 -16.277 -10.644
143 HB2 LYS 16 2HB LYS 16 -5.079 -15.908 -12.960
144 HB3 LYS 16 3HB LYS 16 -3.361 -16.131 -12.656
145 HG2 LYS 16 2HG LYS 16 -5.050 -18.405 -11.893
146 HG3 LYS 16 3HG LYS 16 -5.019 -18.040 -13.620
147 HD2 LYS 16 2HD LYS 16 -2.368 -17.907 -12.485
148 HD3 LYS 16 3HD LYS 16 -3.117 -19.472 -12.161
149 HE2 LYS 16 2HE LYS 16 -3.374 -19.951 -14.428
150 HE3 LYS 16 3HE LYS 16 -3.197 -18.262 -14.901
151 HZ1 LYS 16 3HZ LYS 16 -0.872 -19.186 -13.563
152 HZ2 LYS 16 1HZ LYS 16 -1.021 -18.527 -15.114
153 HZ3 LYS 16 2HZ LYS 16 -1.231 -20.188 -14.877
154 H LEU 17 H LEU 17 -2.295 -15.611 -9.901
155 HA LEU 17 HA LEU 17 -1.726 -18.324 -9.052
156 HB2 LEU 17 2HB LEU 17 0.009 -16.931 -10.098
157 HB3 LEU 17 3HB LEU 17 -0.102 -15.801 -8.750
158 HG LEU 17 HG LEU 17 0.450 -18.138 -7.459
159 HD11 LEU 17 1HD1 LEU 17 1.419 -18.353 -10.237
160 HD12 LEU 17 2HD1 LEU 17 1.029 -19.612 -9.066
161 HD13 LEU 17 3HD1 LEU 17 2.574 -18.767 -8.970
162 HD21 LEU 17 3HD2 LEU 17 1.488 -15.896 -7.177
163 HD22 LEU 17 1HD2 LEU 17 2.506 -16.238 -8.576
164 HD23 LEU 17 2HD2 LEU 17 2.644 -17.228 -7.123
165 H THR 18 H THR 18 -2.573 -15.237 -7.632
166 HA THR 18 HA THR 18 -1.932 -15.694 -4.969
167 HB THR 18 HB THR 18 -3.607 -14.035 -4.385
168 HG1 THR 18 HG1 THR 18 -4.503 -13.850 -7.040
169 HG21 THR 18 3HG2 THR 18 -2.962 -12.225 -6.008
170 HG22 THR 18 1HG2 THR 18 -2.137 -13.462 -6.956
171 HG23 THR 18 2HG2 THR 18 -1.607 -13.113 -5.310
172 H HIS 19 H HIS 19 -4.742 -16.728 -6.827
173 HA HIS 19 HA HIS 19 -6.302 -17.667 -4.684
174 HB2 HIS 19 2HB HIS 19 -6.509 -17.587 -7.491
175 HB3 HIS 19 3HB HIS 19 -6.674 -19.282 -7.043
176 HD1 HIS 19 HD1 HIS 19 -9.127 -19.665 -7.226
177 HD2 HIS 19 HD2 HIS 19 -8.231 -16.206 -5.107
178 HE1 HIS 19 HE1 HIS 19 -11.327 -18.835 -6.334
179 H ARG 20 H ARG 20 -3.473 -18.923 -6.170
180 HA ARG 20 HA ARG 20 -3.892 -21.548 -4.913
181 HB2 ARG 20 2HB ARG 20 -1.844 -20.731 -6.983
182 HB3 ARG 20 3HB ARG 20 -2.097 -22.357 -6.362
183 HG2 ARG 20 2HG ARG 20 -3.961 -22.695 -7.608
184 HG3 ARG 20 3HG ARG 20 -4.429 -20.994 -7.572
185 HD2 ARG 20 2HD ARG 20 -3.527 -20.686 -9.576
186 HD3 ARG 20 3HD ARG 20 -1.960 -21.220 -8.967
187 HE ARG 20 HE ARG 20 -2.284 -23.228 -10.011
188 HH11 ARG 20 1HH1 ARG 20 -5.336 -21.569 -9.775
189 HH12 ARG 20 2HH1 ARG 20 -6.184 -22.718 -10.755
190 HH21 ARG 20 1HH2 ARG 20 -3.390 -24.747 -11.304
191 HH22 ARG 20 2HH2 ARG 20 -5.077 -24.526 -11.624
192 H LEU 21 H LEU 21 -2.204 -18.623 -4.589
193 HA LEU 21 HA LEU 21 -0.007 -19.778 -3.069
194 HB2 LEU 21 2HB LEU 21 0.827 -18.018 -4.257
195 HB3 LEU 21 3HB LEU 21 -0.675 -17.101 -4.160
196 HG LEU 21 HG LEU 21 -0.148 -16.513 -1.832
197 HD11 LEU 21 1HD1 LEU 21 1.613 -18.656 -1.981
198 HD12 LEU 21 2HD1 LEU 21 1.443 -17.513 -0.649
199 HD13 LEU 21 3HD1 LEU 21 2.648 -17.230 -1.905
200 HD21 LEU 21 3HD2 LEU 21 2.044 -15.219 -2.452
201 HD22 LEU 21 1HD2 LEU 21 0.515 -14.821 -3.236
202 HD23 LEU 21 2HD2 LEU 21 1.698 -15.828 -4.071
203 H PHE 22 H PHE 22 -2.969 -17.967 -2.559
204 HA PHE 22 HA PHE 22 -2.448 -17.742 0.299
205 HB2 PHE 22 2HB PHE 22 -4.617 -16.688 -1.507
206 HB3 PHE 22 3HB PHE 22 -4.748 -16.600 0.247
207 HD1 PHE 22 HD2 PHE 22 -2.998 -15.331 1.529
208 HD2 PHE 22 HD1 PHE 22 -3.342 -15.134 -2.709
209 HE1 PHE 22 HE2 PHE 22 -1.687 -13.249 1.523
210 HE2 PHE 22 HE1 PHE 22 -2.031 -13.052 -2.722
211 HZ PHE 22 HZ PHE 22 -1.203 -12.106 -0.604
212 H ARG 23 H ARG 23 -4.368 -19.584 -1.951
213 HA ARG 23 HA ARG 23 -5.572 -21.041 0.310
214 HB2 ARG 23 2HB ARG 23 -6.664 -20.985 -2.499
215 HB3 ARG 23 3HB ARG 23 -7.468 -21.533 -1.034
216 HG2 ARG 23 2HG ARG 23 -6.671 -18.682 -1.580
217 HG3 ARG 23 3HG ARG 23 -8.281 -19.350 -1.854
218 HD2 ARG 23 2HD ARG 23 -8.434 -19.918 0.531
219 HD3 ARG 23 3HD ARG 23 -6.837 -19.216 0.791
220 HE ARG 23 HE ARG 23 -8.336 -17.228 -0.374
221 HH11 ARG 23 1HH1 ARG 23 -8.543 -19.179 2.502
222 HH12 ARG 23 2HH1 ARG 23 -9.369 -17.966 3.423
223 HH21 ARG 23 1HH2 ARG 23 -9.423 -15.623 0.828
224 HH22 ARG 23 2HH2 ARG 23 -9.870 -15.944 2.469
225 H ARG 24 H ARG 24 -2.946 -21.462 -0.973
226 HA ARG 24 HA ARG 24 -1.695 -23.094 -2.011
227 HB2 ARG 24 2HB ARG 24 -1.791 -25.176 -0.837
228 HB3 ARG 24 3HB ARG 24 -2.155 -23.901 0.318
229 HG2 ARG 24 2HG ARG 24 -4.449 -25.177 -1.048
230 HG3 ARG 24 3HG ARG 24 -3.577 -26.137 0.149
231 HD2 ARG 24 2HD ARG 24 -4.205 -23.379 0.958
232 HD3 ARG 24 3HD ARG 24 -5.600 -24.433 0.731
233 HE ARG 24 HE ARG 24 -3.638 -25.738 2.288
234 HH11 ARG 24 1HH1 ARG 24 -6.015 -23.200 2.459
235 HH12 ARG 24 2HH1 ARG 24 -6.266 -23.372 4.165
236 HH21 ARG 24 1HH2 ARG 24 -3.959 -25.974 4.534
237 HH22 ARG 24 2HH2 ARG 24 -5.095 -24.949 5.344
Start of MODEL 20
1 H1 TRP 1 H TRP 1 2.102 -0.888 0.801
2 HA TRP 1 HA TRP 1 3.965 -1.192 -0.937
3 HB2 TRP 1 2HB TRP 1 2.463 -3.375 -1.526
4 HB3 TRP 1 3HB TRP 1 1.878 -2.245 -2.744
5 HD1 TRP 1 HD1 TRP 1 3.077 -2.808 -4.930
6 HE1 TRP 1 HE1 TRP 1 5.504 -3.298 -5.631
7 HE3 TRP 1 HE3 TRP 1 5.277 -2.772 -0.316
8 HZ2 TRP 1 HZ2 TRP 1 8.019 -3.626 -4.392
9 HZ3 TRP 1 HZ3 TRP 1 7.698 -3.183 -0.160
10 HH2 TRP 1 HH2 TRP 1 9.039 -3.601 -2.157
11 H TRP 2 H TRP 2 4.081 0.906 -1.389
12 HA TRP 2 HA TRP 2 1.712 2.434 -2.037
13 HB2 TRP 2 2HB TRP 2 2.902 4.211 -1.340
14 HB3 TRP 2 3HB TRP 2 4.098 3.040 -0.793
15 HD1 TRP 2 HD1 TRP 2 6.413 3.031 -1.995
16 HE1 TRP 2 HE1 TRP 2 7.466 4.456 -3.861
17 HE3 TRP 2 HE3 TRP 2 2.229 5.501 -3.588
18 HZ2 TRP 2 HZ2 TRP 2 6.633 6.374 -5.758
19 HZ3 TRP 2 HZ3 TRP 2 2.444 7.114 -5.433
20 HH2 TRP 2 HH2 TRP 2 4.601 7.541 -6.494
21 H TRP 3 H TRP 3 4.485 1.093 -3.689
22 HA TRP 3 HA TRP 3 3.839 2.475 -6.166
23 HB2 TRP 3 2HB TRP 3 6.206 1.574 -5.095
24 HB3 TRP 3 3HB TRP 3 5.842 0.335 -6.293
25 HD1 TRP 3 HD1 TRP 3 5.128 4.108 -6.711
26 HE1 TRP 3 HE1 TRP 3 6.451 4.951 -8.751
27 HE3 TRP 3 HE3 TRP 3 7.736 -0.151 -7.803
28 HZ2 TRP 3 HZ2 TRP 3 8.350 3.944 -10.581
29 HZ3 TRP 3 HZ3 TRP 3 9.285 -0.128 -9.715
30 HH2 TRP 3 HH2 TRP 3 9.584 1.878 -11.074
31 H LYS 4 H LYS 4 1.971 0.528 -4.964
32 HA LYS 4 HA LYS 4 1.999 -1.916 -6.345
33 HB2 LYS 4 2HB LYS 4 0.580 -1.301 -4.340
34 HB3 LYS 4 3HB LYS 4 -0.474 -0.434 -5.449
35 HG2 LYS 4 2HG LYS 4 -1.054 -2.445 -6.589
36 HG3 LYS 4 3HG LYS 4 0.172 -3.360 -5.709
37 HD2 LYS 4 2HD LYS 4 -1.130 -3.584 -3.882
38 HD3 LYS 4 3HD LYS 4 -1.776 -1.947 -4.019
39 HE2 LYS 4 2HE LYS 4 -3.449 -2.595 -5.489
40 HE3 LYS 4 3HE LYS 4 -2.593 -4.058 -5.975
41 HZ1 LYS 4 3HZ LYS 4 -3.014 -4.956 -3.742
42 HZ2 LYS 4 1HZ LYS 4 -4.445 -4.628 -4.582
43 HZ3 LYS 4 2HZ LYS 4 -3.922 -3.579 -3.363
44 H TYR 5 H TYR 5 1.355 1.245 -7.434
45 HA TYR 5 HA TYR 5 -0.521 0.813 -9.458
46 HB2 TYR 5 2HB TYR 5 1.779 2.767 -9.593
47 HB3 TYR 5 3HB TYR 5 0.223 2.892 -10.404
48 HD1 TYR 5 HD2 TYR 5 -1.684 2.305 -8.286
49 HD2 TYR 5 HD1 TYR 5 1.922 4.558 -8.128
50 HE1 TYR 5 HE2 TYR 5 -2.575 3.587 -6.386
51 HE2 TYR 5 HE1 TYR 5 1.041 5.846 -6.227
52 HH TYR 5 HH TYR 5 -2.174 5.876 -5.359
53 H GLU 6 H GLU 6 2.894 0.130 -9.312
54 HA GLU 6 HA GLU 6 3.045 -0.447 -12.159
55 HB2 GLU 6 2HB GLU 6 5.250 -1.085 -10.243
56 HB3 GLU 6 3HB GLU 6 5.346 -0.543 -11.913
57 HG2 GLU 6 2HG GLU 6 4.535 1.152 -9.562
58 HG3 GLU 6 3HG GLU 6 6.111 1.167 -10.352
59 H ILE 7 H ILE 7 1.818 -2.029 -9.605
60 HA ILE 7 HA ILE 7 2.821 -4.671 -10.393
61 HB ILE 7 HB ILE 7 1.422 -3.663 -7.942
62 HG12 ILE 7 2HG1 ILE 7 3.903 -3.678 -8.074
63 HG13 ILE 7 3HG1 ILE 7 3.282 -4.721 -6.800
64 HG21 ILE 7 1HG2 ILE 7 0.108 -5.524 -8.193
65 HG22 ILE 7 2HG2 ILE 7 1.349 -6.417 -9.069
66 HG23 ILE 7 3HG2 ILE 7 1.477 -6.214 -7.322
67 HD11 ILE 7 3HD1 ILE 7 5.078 -5.836 -7.907
68 HD12 ILE 7 1HD1 ILE 7 3.573 -6.655 -8.323
69 HD13 ILE 7 2HD1 ILE 7 4.336 -5.568 -9.484
70 H THR 8 H THR 8 -0.136 -2.778 -10.094
71 HA THR 8 HA THR 8 -2.082 -4.650 -10.554
72 HB THR 8 HB THR 8 -3.485 -2.924 -11.395
73 HG1 THR 8 HG1 THR 8 -2.735 -1.170 -12.456
74 HG21 THR 8 3HG2 THR 8 -3.238 -1.207 -9.765
75 HG22 THR 8 1HG2 THR 8 -1.502 -1.487 -9.638
76 HG23 THR 8 2HG2 THR 8 -2.637 -2.692 -9.029
77 H THR 9 H THR 9 0.241 -3.363 -12.818
78 HA THR 9 HA THR 9 -0.934 -4.021 -15.244
79 HB THR 9 HB THR 9 1.044 -2.779 -15.403
80 HG1 THR 9 HG1 THR 9 1.724 -3.904 -17.053
81 HG21 THR 9 3HG2 THR 9 2.700 -2.932 -13.921
82 HG22 THR 9 1HG2 THR 9 3.065 -4.577 -14.440
83 HG23 THR 9 2HG2 THR 9 1.864 -4.296 -13.179
84 H ILE 10 H ILE 10 1.287 -6.020 -13.296
85 HA ILE 10 HA ILE 10 0.653 -8.346 -14.927
86 HB ILE 10 HB ILE 10 2.436 -9.460 -13.884
87 HG12 ILE 10 2HG1 ILE 10 1.624 -8.613 -11.551
88 HG13 ILE 10 3HG1 ILE 10 3.320 -9.024 -11.779
89 HG21 ILE 10 1HG2 ILE 10 4.304 -7.729 -13.887
90 HG22 ILE 10 2HG2 ILE 10 3.344 -7.876 -15.358
91 HG23 ILE 10 3HG2 ILE 10 3.049 -6.543 -14.242
92 HD11 ILE 10 3HD1 ILE 10 2.460 -6.749 -10.645
93 HD12 ILE 10 1HD1 ILE 10 4.003 -6.908 -11.484
94 HD13 ILE 10 2HD1 ILE 10 2.610 -6.226 -12.323
95 H HIS 11 H HIS 11 -0.220 -6.943 -11.905
96 HA HIS 11 HA HIS 11 -0.984 -9.151 -10.408
97 HB2 HIS 11 2HB HIS 11 -0.962 -6.819 -9.569
98 HB3 HIS 11 3HB HIS 11 -2.392 -6.476 -10.538
99 HD1 HIS 11 HD1 HIS 11 -1.863 -9.566 -8.420
100 HD2 HIS 11 HD2 HIS 11 -4.216 -6.143 -8.525
101 HE1 HIS 11 HE1 HIS 11 -3.576 -9.871 -6.604
102 H ASN 12 H ASN 12 -2.341 -7.911 -13.298
103 HA ASN 12 HA ASN 12 -4.976 -8.977 -12.949
104 HB2 ASN 12 2HB ASN 12 -3.522 -7.484 -14.994
105 HB3 ASN 12 3HB ASN 12 -4.596 -8.699 -15.680
106 HD21 ASN 12 1HD2 ASN 12 -4.666 -6.349 -13.017
107 HD22 ASN 12 2HD2 ASN 12 -6.235 -5.725 -13.386
108 H LEU 13 H LEU 13 -1.947 -10.283 -13.818
109 HA LEU 13 HA LEU 13 -3.258 -12.728 -14.812
110 HB2 LEU 13 2HB LEU 13 -1.473 -13.146 -16.252
111 HB3 LEU 13 3HB LEU 13 -1.782 -11.419 -16.421
112 HG LEU 13 HG LEU 13 0.176 -11.655 -14.425
113 HD11 LEU 13 1HD1 LEU 13 1.016 -13.713 -14.863
114 HD12 LEU 13 2HD1 LEU 13 1.886 -12.814 -16.105
115 HD13 LEU 13 3HD1 LEU 13 0.434 -13.721 -16.528
116 HD21 LEU 13 3HD2 LEU 13 0.632 -11.001 -17.327
117 HD22 LEU 13 1HD2 LEU 13 1.497 -10.380 -15.920
118 HD23 LEU 13 2HD2 LEU 13 -0.177 -9.904 -16.206
119 H PHE 14 H PHE 14 -1.185 -11.323 -12.476
120 HA PHE 14 HA PHE 14 0.128 -13.744 -11.675
121 HB2 PHE 14 2HB PHE 14 0.191 -10.930 -10.925
122 HB3 PHE 14 3HB PHE 14 0.274 -11.993 -9.524
123 HD1 PHE 14 HD2 PHE 14 2.116 -13.621 -9.315
124 HD2 PHE 14 HD1 PHE 14 2.005 -10.736 -12.442
125 HE1 PHE 14 HE2 PHE 14 4.510 -13.994 -9.740
126 HE2 PHE 14 HE1 PHE 14 4.399 -11.105 -12.873
127 HZ PHE 14 HZ PHE 14 5.655 -12.735 -11.520
128 H ARG 15 H ARG 15 -2.885 -12.224 -10.991
129 HA ARG 15 HA ARG 15 -3.466 -13.179 -8.447
130 HB2 ARG 15 2HB ARG 15 -5.845 -12.992 -9.112
131 HB3 ARG 15 3HB ARG 15 -4.902 -11.574 -9.549
132 HG2 ARG 15 2HG ARG 15 -4.687 -13.005 -11.820
133 HG3 ARG 15 3HG ARG 15 -6.271 -13.539 -11.254
134 HD2 ARG 15 2HD ARG 15 -5.365 -10.722 -11.813
135 HD3 ARG 15 3HD ARG 15 -6.603 -11.644 -12.665
136 HE ARG 15 HE ARG 15 -7.334 -11.445 -9.969
137 HH11 ARG 15 1HH1 ARG 15 -6.959 -9.427 -12.781
138 HH12 ARG 15 2HH1 ARG 15 -8.163 -8.285 -12.283
139 HH21 ARG 15 1HH2 ARG 15 -8.922 -9.949 -9.302
140 HH22 ARG 15 2HH2 ARG 15 -9.278 -8.582 -10.304
141 H LYS 16 H LYS 16 -3.267 -14.857 -11.459
142 HA LYS 16 HA LYS 16 -4.873 -17.094 -10.864
143 HB2 LYS 16 2HB LYS 16 -3.793 -18.175 -12.710
144 HB3 LYS 16 3HB LYS 16 -4.002 -16.480 -13.131
145 HG2 LYS 16 2HG LYS 16 -1.860 -16.694 -13.790
146 HG3 LYS 16 3HG LYS 16 -1.543 -16.362 -12.086
147 HD2 LYS 16 2HD LYS 16 -1.111 -18.603 -11.605
148 HD3 LYS 16 3HD LYS 16 -1.934 -19.171 -13.060
149 HE2 LYS 16 2HE LYS 16 -0.116 -18.869 -14.361
150 HE3 LYS 16 3HE LYS 16 0.372 -17.400 -13.518
151 HZ1 LYS 16 3HZ LYS 16 0.877 -20.206 -12.718
152 HZ2 LYS 16 1HZ LYS 16 1.079 -18.907 -11.652
153 HZ3 LYS 16 2HZ LYS 16 2.012 -18.999 -13.060
154 H LEU 17 H LEU 17 -1.911 -16.081 -9.573
155 HA LEU 17 HA LEU 17 -1.399 -18.777 -8.500
156 HB2 LEU 17 2HB LEU 17 0.405 -18.010 -9.938
157 HB3 LEU 17 3HB LEU 17 0.549 -16.529 -8.993
158 HG LEU 17 HG LEU 17 0.870 -18.757 -7.242
159 HD11 LEU 17 1HD1 LEU 17 1.623 -20.242 -8.808
160 HD12 LEU 17 2HD1 LEU 17 3.130 -19.415 -8.414
161 HD13 LEU 17 3HD1 LEU 17 2.241 -18.980 -9.873
162 HD21 LEU 17 3HD2 LEU 17 1.757 -16.320 -7.235
163 HD22 LEU 17 1HD2 LEU 17 3.084 -16.984 -8.189
164 HD23 LEU 17 2HD2 LEU 17 2.763 -17.609 -6.571
165 H THR 18 H THR 18 -1.220 -15.307 -7.773
166 HA THR 18 HA THR 18 -0.587 -15.429 -5.083
167 HB THR 18 HB THR 18 -2.514 -13.357 -5.391
168 HG1 THR 18 HG1 THR 18 -0.640 -13.193 -7.488
169 HG21 THR 18 3HG2 THR 18 0.253 -12.570 -5.807
170 HG22 THR 18 1HG2 THR 18 0.073 -13.692 -4.458
171 HG23 THR 18 2HG2 THR 18 -0.842 -12.184 -4.479
172 H HIS 19 H HIS 19 -3.894 -14.646 -6.120
173 HA HIS 19 HA HIS 19 -5.143 -15.310 -3.745
174 HB2 HIS 19 2HB HIS 19 -5.947 -14.494 -6.322
175 HB3 HIS 19 3HB HIS 19 -6.883 -15.939 -5.950
176 HD1 HIS 19 HD1 HIS 19 -7.784 -15.711 -3.209
177 HD2 HIS 19 HD2 HIS 19 -7.340 -12.320 -5.567
178 HE1 HIS 19 HE1 HIS 19 -9.229 -13.954 -2.138
179 H ARG 20 H ARG 20 -4.337 -17.367 -6.487
180 HA ARG 20 HA ARG 20 -5.782 -19.647 -5.659
181 HB2 ARG 20 2HB ARG 20 -4.444 -18.999 -7.907
182 HB3 ARG 20 3HB ARG 20 -3.254 -20.050 -7.150
183 HG2 ARG 20 2HG ARG 20 -4.647 -21.314 -8.661
184 HG3 ARG 20 3HG ARG 20 -4.938 -21.827 -6.998
185 HD2 ARG 20 2HD ARG 20 -7.106 -21.502 -7.381
186 HD3 ARG 20 3HD ARG 20 -6.759 -19.774 -7.421
187 HE ARG 20 HE ARG 20 -6.215 -20.654 -9.952
188 HH11 ARG 20 1HH1 ARG 20 -8.977 -20.747 -7.836
189 HH12 ARG 20 2HH1 ARG 20 -10.132 -20.712 -9.127
190 HH21 ARG 20 1HH2 ARG 20 -7.725 -20.608 -11.661
191 HH22 ARG 20 2HH2 ARG 20 -9.418 -20.633 -11.303
192 H LEU 21 H LEU 21 -2.889 -18.225 -4.518
193 HA LEU 21 HA LEU 21 -2.038 -20.698 -3.197
194 HB2 LEU 21 2HB LEU 21 -0.720 -18.062 -3.723
195 HB3 LEU 21 3HB LEU 21 -0.095 -19.147 -2.484
196 HG LEU 21 HG LEU 21 -0.389 -19.857 -5.402
197 HD11 LEU 21 1HD1 LEU 21 2.010 -19.610 -5.550
198 HD12 LEU 21 2HD1 LEU 21 2.095 -19.136 -3.854
199 HD13 LEU 21 3HD1 LEU 21 1.286 -18.091 -5.021
200 HD21 LEU 21 3HD2 LEU 21 1.490 -21.430 -3.931
201 HD22 LEU 21 1HD2 LEU 21 0.043 -21.946 -4.797
202 HD23 LEU 21 2HD2 LEU 21 -0.070 -21.459 -3.106
203 H PHE 22 H PHE 22 -2.537 -17.264 -2.366
204 HA PHE 22 HA PHE 22 -2.394 -17.481 0.383
205 HB2 PHE 22 2HB PHE 22 -3.598 -15.578 -1.520
206 HB3 PHE 22 3HB PHE 22 -4.298 -15.552 0.095
207 HD1 PHE 22 HD2 PHE 22 -1.030 -15.415 -1.673
208 HD2 PHE 22 HD1 PHE 22 -3.277 -14.339 1.778
209 HE1 PHE 22 HE2 PHE 22 0.846 -14.032 -0.887
210 HE2 PHE 22 HE1 PHE 22 -1.404 -12.953 2.569
211 HZ PHE 22 HZ PHE 22 0.661 -12.799 1.237
212 H ARG 23 H ARG 23 -5.064 -18.226 -1.766
213 HA ARG 23 HA ARG 23 -7.061 -18.488 0.225
214 HB2 ARG 23 2HB ARG 23 -8.414 -19.467 -1.465
215 HB3 ARG 23 3HB ARG 23 -7.435 -18.242 -2.262
216 HG2 ARG 23 2HG ARG 23 -5.916 -19.977 -3.069
217 HG3 ARG 23 3HG ARG 23 -6.900 -21.205 -2.270
218 HD2 ARG 23 2HD ARG 23 -8.835 -20.156 -3.670
219 HD3 ARG 23 3HD ARG 23 -7.521 -19.537 -4.670
220 HE ARG 23 HE ARG 23 -7.136 -21.668 -5.438
221 HH11 ARG 23 1HH1 ARG 23 -9.268 -21.784 -2.688
222 HH12 ARG 23 2HH1 ARG 23 -9.651 -23.462 -2.891
223 HH21 ARG 23 1HH2 ARG 23 -7.633 -23.877 -5.716
224 HH22 ARG 23 2HH2 ARG 23 -8.720 -24.651 -4.613
225 H ARG 24 H ARG 24 -4.635 -20.661 -1.058
226 HA ARG 24 HA ARG 24 -3.982 -22.764 -0.484
227 HB2 ARG 24 2HB ARG 24 -4.977 -21.558 2.035
228 HB3 ARG 24 3HB ARG 24 -4.762 -23.304 2.036
229 HG2 ARG 24 2HG ARG 24 -2.615 -22.985 2.458
230 HG3 ARG 24 3HG ARG 24 -2.449 -22.252 0.862
231 HD2 ARG 24 2HD ARG 24 -1.606 -20.790 2.647
232 HD3 ARG 24 3HD ARG 24 -2.962 -20.069 1.780
233 HE ARG 24 HE ARG 24 -4.103 -21.321 3.922
234 HH11 ARG 24 1HH1 ARG 24 -1.619 -18.918 3.504
235 HH12 ARG 24 2HH1 ARG 24 -1.943 -18.132 5.014
236 HH21 ARG 24 1HH2 ARG 24 -4.539 -20.296 5.912
237 HH22 ARG 24 2HH2 ARG 24 -3.604 -18.918 6.383
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