Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627403 | 6br0 RC | 30376 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 1HT ASP 1 -13.518 5.130 -0.173
2 H2 ASP 1 2HT ASP 1 -13.137 5.636 -1.721
3 H3 ASP 1 3HT ASP 1 -14.090 6.625 -0.725
4 HA ASP 1 HA ASP 1 -11.820 7.439 -0.883
5 HB2 ASP 1 HB3 ASP 1 -12.407 6.192 1.823
6 HB3 ASP 1 HB2 ASP 1 -11.338 7.548 1.513
7 H CYS 2 H CYS 2 -9.625 6.827 0.469
8 HA CYS 2 HA CYS 2 -9.084 4.018 -0.148
9 HB2 CYS 2 HB3 CYS 2 -6.875 4.607 -0.831
10 HB3 CYS 2 HB2 CYS 2 -8.034 5.396 -1.887
11 H LEU 3 H LEU 3 -6.692 3.719 0.757
12 HA LEU 3 HA LEU 3 -6.850 4.187 3.616
13 HB2 LEU 3 HB3 LEU 3 -4.884 2.560 2.057
14 HB3 LEU 3 HB2 LEU 3 -5.354 2.415 3.735
15 HG LEU 3 HG LEU 3 -7.076 1.741 1.384
16 HD11 LEU 3 HD11 LEU 3 -5.532 -0.033 3.298
17 HD12 LEU 3 HD12 LEU 3 -5.211 0.190 1.575
18 HD13 LEU 3 HD13 LEU 3 -6.686 -0.623 2.102
19 HD21 LEU 3 HD21 LEU 3 -8.377 2.384 3.332
20 HD22 LEU 3 HD22 LEU 3 -7.493 1.225 4.330
21 HD23 LEU 3 HD23 LEU 3 -8.546 0.654 3.035
22 H GLY 4 H GLY 4 -5.060 5.247 4.630
23 HA2 GLY 4 2HA GLY 4 -3.172 6.603 2.917
24 HA3 GLY 4 1HA GLY 4 -3.294 6.753 4.676
25 H TRP 5 H TRP 5 -0.687 6.216 3.912
26 HA TRP 5 HA TRP 5 -0.649 3.488 3.588
27 HB2 TRP 5 HB3 TRP 5 1.391 3.680 2.813
28 HB3 TRP 5 HB2 TRP 5 0.754 5.222 2.410
29 HD1 TRP 5 HD TRP 5 3.513 3.556 4.267
30 HE1 TRP 5 1HE TRP 5 5.239 5.200 4.924
31 HE3 TRP 5 3HE TRP 5 0.793 7.760 3.427
32 HZ2 TRP 5 2HZ TRP 5 5.444 8.083 5.192
33 HZ3 TRP 5 3HZ TRP 5 1.808 9.943 3.939
34 HH2 TRP 5 HH TRP 5 4.091 10.098 4.808
35 H PHE 6 H PHE 6 1.220 2.414 4.763
36 HA PHE 6 HA PHE 6 1.767 1.215 6.483
37 HB2 PHE 6 HB3 PHE 6 1.059 3.642 8.109
38 HB3 PHE 6 HB2 PHE 6 1.477 2.108 8.873
39 HD1 PHE 6 1HD PHE 6 3.668 1.003 7.819
40 HD2 PHE 6 2HD PHE 6 2.779 5.158 7.860
41 HE1 PHE 6 1HE PHE 6 6.062 1.506 7.609
42 HE2 PHE 6 2HE PHE 6 5.175 5.669 7.641
43 HZ PHE 6 HZ PHE 6 6.820 3.834 7.513
44 H LYS 7 H LYS 7 -1.338 2.040 5.833
45 HA LYS 7 HA LYS 7 -2.574 0.293 7.704
46 HB2 LYS 7 HB3 LYS 7 -3.598 1.469 5.142
47 HB3 LYS 7 HB2 LYS 7 -4.548 0.757 6.416
48 HG2 LYS 7 2HG LYS 7 -2.890 3.216 6.831
49 HG3 LYS 7 1HG LYS 7 -4.586 3.260 6.373
50 HD2 LYS 7 2HD LYS 7 -5.090 1.919 8.416
51 HD3 LYS 7 1HD LYS 7 -3.391 2.040 8.867
52 HE2 LYS 7 2HE LYS 7 -5.262 4.358 8.452
53 HE3 LYS 7 1HE LYS 7 -4.822 3.687 10.021
54 HZ1 LYS 7 1HZ LYS 7 -2.920 4.938 8.092
55 HZ2 LYS 7 2HZ LYS 7 -2.541 4.359 9.642
56 HZ3 LYS 7 3HZ LYS 7 -3.552 5.671 9.456
57 H SER 8 H SER 8 -3.357 -1.597 7.141
58 HA SER 8 HA SER 8 -1.764 -3.260 5.492
59 HB2 SER 8 HB3 SER 8 -4.357 -3.841 6.899
60 HB3 SER 8 HB2 SER 8 -3.093 -4.980 6.425
61 HG SER 8 HG SER 8 -1.937 -3.092 7.844
62 H CYS 9 H CYS 9 -2.263 -4.096 3.408
63 HA CYS 9 HA CYS 9 -4.923 -3.802 2.478
64 HB2 CYS 9 HB3 CYS 9 -4.020 -2.832 0.334
65 HB3 CYS 9 HB2 CYS 9 -4.183 -1.725 1.695
66 H ASP 10 H ASP 10 -4.965 -4.600 0.177
67 HA ASP 10 HA ASP 10 -3.365 -7.043 -0.080
68 HB2 ASP 10 HB3 ASP 10 -5.844 -7.356 0.119
69 HB3 ASP 10 HB2 ASP 10 -6.052 -6.319 -1.289
70 HA PRO 11 HA PRO 11 -1.620 -4.373 -3.163
71 HB2 PRO 11 HB3 PRO 11 0.025 -6.249 -4.360
72 HB3 PRO 11 HB2 PRO 11 0.440 -5.273 -2.951
73 HG2 PRO 11 2HG PRO 11 -0.440 -8.103 -3.093
74 HG3 PRO 11 1HG PRO 11 0.640 -7.315 -1.940
75 HD2 PRO 11 2HD PRO 11 -1.953 -8.002 -1.400
76 HD3 PRO 11 1HD PRO 11 -1.079 -6.698 -0.576
77 H LYS 12 H LYS 12 -3.267 -7.352 -4.044
78 HA LYS 12 HA LYS 12 -3.215 -6.575 -6.813
79 HB2 LYS 12 HB3 LYS 12 -3.021 -8.976 -5.805
80 HB3 LYS 12 HB2 LYS 12 -4.770 -8.867 -5.695
81 HG2 LYS 12 2HG LYS 12 -4.088 -10.012 -7.721
82 HG3 LYS 12 1HG LYS 12 -4.897 -8.485 -8.103
83 HD2 LYS 12 2HD LYS 12 -2.815 -7.391 -8.445
84 HD3 LYS 12 1HD LYS 12 -1.920 -8.795 -7.881
85 HE2 LYS 12 2HE LYS 12 -3.642 -8.639 -10.367
86 HE3 LYS 12 1HE LYS 12 -1.883 -8.577 -10.341
87 HZ1 LYS 12 1HZ LYS 12 -1.902 -10.823 -9.373
88 HZ2 LYS 12 2HZ LYS 12 -2.610 -10.777 -10.890
89 HZ3 LYS 12 3HZ LYS 12 -3.578 -10.871 -9.530
90 H ASN 13 H ASN 13 -5.136 -6.247 -4.060
91 HA ASN 13 HA ASN 13 -7.435 -5.322 -5.672
92 HB2 ASN 13 HB3 ASN 13 -7.783 -7.495 -4.420
93 HB3 ASN 13 HB2 ASN 13 -7.517 -6.621 -2.925
94 HD21 ASN 13 HD21 ASN 13 -9.705 -7.160 -5.571
95 HD22 ASN 13 HD22 ASN 13 -11.088 -6.456 -4.820
96 H ASP 14 H ASP 14 -5.260 -3.900 -5.002
97 HA ASP 14 HA ASP 14 -4.991 -2.567 -2.656
98 HB2 ASP 14 HB3 ASP 14 -3.271 -2.297 -4.136
99 HB3 ASP 14 HB2 ASP 14 -4.380 -1.780 -5.419
100 H LYS 15 H LYS 15 -5.897 -1.304 -1.616
101 HA LYS 15 HA LYS 15 -8.145 0.377 -2.536
102 HB2 LYS 15 HB3 LYS 15 -7.541 -0.859 0.139
103 HB3 LYS 15 HB2 LYS 15 -8.750 0.386 -0.075
104 HG2 LYS 15 2HG LYS 15 -8.793 -2.247 -1.531
105 HG3 LYS 15 1HG LYS 15 -9.612 -1.967 0.009
106 HD2 LYS 15 2HD LYS 15 -10.918 -0.183 -1.015
107 HD3 LYS 15 1HD LYS 15 -10.098 -0.446 -2.550
108 HE2 LYS 15 2HE LYS 15 -11.785 -2.477 -1.094
109 HE3 LYS 15 1HE LYS 15 -12.321 -1.503 -2.458
110 HZ1 LYS 15 1HZ LYS 15 -11.657 -3.719 -3.114
111 HZ2 LYS 15 2HZ LYS 15 -10.097 -3.495 -2.554
112 HZ3 LYS 15 3HZ LYS 15 -10.683 -2.571 -3.840
113 H CYS 16 H CYS 16 -4.947 0.739 -1.992
114 HA CYS 16 HA CYS 16 -5.170 3.065 -0.275
115 HB2 CYS 16 HB3 CYS 16 -3.270 1.329 -0.054
116 HB3 CYS 16 HB2 CYS 16 -2.699 1.913 -1.611
117 H CYS 17 H CYS 17 -4.239 5.135 -1.160
118 HA CYS 17 HA CYS 17 -5.231 5.512 -3.733
119 HB2 CYS 17 HB3 CYS 17 -4.051 7.231 -1.625
120 HB3 CYS 17 HB2 CYS 17 -4.063 7.849 -3.268
121 H LYS 18 H LYS 18 -3.629 7.113 -5.080
122 HA LYS 18 HA LYS 18 -1.520 5.309 -5.887
123 HB2 LYS 18 HB3 LYS 18 -3.255 6.571 -7.431
124 HB3 LYS 18 HB2 LYS 18 -2.190 7.938 -7.187
125 HG2 LYS 18 2HG LYS 18 -1.696 6.806 -9.280
126 HG3 LYS 18 1HG LYS 18 -0.324 6.699 -8.178
127 HD2 LYS 18 2HD LYS 18 -0.697 4.558 -9.308
128 HD3 LYS 18 1HD LYS 18 -1.006 4.385 -7.587
129 HE2 LYS 18 2HE LYS 18 -3.438 4.630 -8.046
130 HE3 LYS 18 1HE LYS 18 -3.079 4.713 -9.766
131 HZ1 LYS 18 1HZ LYS 18 -3.754 2.498 -9.152
132 HZ2 LYS 18 2HZ LYS 18 -2.591 2.397 -7.966
133 HZ3 LYS 18 3HZ LYS 18 -2.134 2.456 -9.591
134 H ASN 19 H ASN 19 0.465 6.540 -6.561
135 HA ASN 19 HA ASN 19 2.399 7.696 -6.044
136 HB2 ASN 19 HB3 ASN 19 0.925 9.728 -5.534
137 HB3 ASN 19 HB2 ASN 19 0.863 9.178 -3.874
138 HD21 ASN 19 HD21 ASN 19 1.770 11.092 -3.169
139 HD22 ASN 19 HD22 ASN 19 3.436 11.466 -3.368
140 H TYR 20 H TYR 20 0.451 6.450 -3.576
141 HA TYR 20 HA TYR 20 2.680 5.326 -2.107
142 HB2 TYR 20 HB3 TYR 20 -0.296 4.940 -1.672
143 HB3 TYR 20 HB2 TYR 20 1.018 4.644 -0.568
144 HD1 TYR 20 1HD TYR 20 2.403 6.730 0.176
145 HD2 TYR 20 2HD TYR 20 -1.498 6.921 -1.480
146 HE1 TYR 20 1HE TYR 20 2.082 8.938 1.196
147 HE2 TYR 20 2HE TYR 20 -1.830 9.132 -0.474
148 HH TYR 20 HH TYR 20 0.670 10.963 0.748
149 H THR 21 H THR 21 2.617 2.935 -1.964
150 HA THR 21 HA THR 21 0.896 1.698 -3.910
151 HB THR 21 HB THR 21 2.973 2.018 -5.012
152 HG1 THR 21 1HG THR 21 1.859 0.132 -5.507
153 HG21 THR 21 1HG2 THR 21 4.550 2.089 -3.162
154 HG22 THR 21 2HG2 THR 21 5.063 0.847 -4.305
155 HG23 THR 21 3HG2 THR 21 4.250 0.387 -2.809
156 H CYS 22 H CYS 22 0.549 -0.423 -3.519
157 HA CYS 22 HA CYS 22 0.735 -1.027 -0.672
158 HB2 CYS 22 HB3 CYS 22 -1.471 -1.167 -1.682
159 HB3 CYS 22 HB2 CYS 22 -0.879 -2.464 -2.752
160 H SER 23 H SER 23 2.001 -2.307 0.056
161 HA SER 23 HA SER 23 3.998 -3.492 -1.669
162 HB2 SER 23 HB3 SER 23 4.741 -2.119 0.202
163 HB3 SER 23 HB2 SER 23 3.872 -3.142 1.335
164 HG SER 23 HG SER 23 6.214 -3.479 1.095
165 H ARG 24 H ARG 24 4.305 -5.577 -1.979
166 HA ARG 24 HA ARG 24 2.480 -7.501 -0.806
167 HB2 ARG 24 HB3 ARG 24 2.918 -7.641 -3.214
168 HB3 ARG 24 HB2 ARG 24 4.643 -7.742 -2.922
169 HG2 ARG 24 2HG ARG 24 3.808 -9.907 -3.523
170 HG3 ARG 24 1HG ARG 24 4.296 -9.922 -1.832
171 HD2 ARG 24 2HD ARG 24 1.909 -9.621 -1.196
172 HD3 ARG 24 1HD ARG 24 1.474 -9.767 -2.904
173 HE ARG 24 HE ARG 24 3.112 -11.899 -1.976
174 HH11 ARG 24 1HH1 ARG 24 -0.288 -10.923 -2.392
175 HH12 ARG 24 2HH1 ARG 24 -0.881 -12.485 -2.053
176 HH21 ARG 24 1HH2 ARG 24 2.266 -13.974 -1.524
177 HH22 ARG 24 2HH2 ARG 24 0.577 -14.252 -1.526
178 H ARG 25 H ARG 25 5.617 -6.287 -0.441
179 HA ARG 25 HA ARG 25 6.792 -8.517 0.912
180 HB2 ARG 25 HB3 ARG 25 8.034 -6.839 -0.441
181 HB3 ARG 25 HB2 ARG 25 7.633 -5.631 0.762
182 HG2 ARG 25 2HG ARG 25 8.823 -6.893 2.444
183 HG3 ARG 25 1HG ARG 25 9.254 -8.093 1.213
184 HD2 ARG 25 2HD ARG 25 10.431 -6.360 -0.057
185 HD3 ARG 25 1HD ARG 25 10.020 -5.176 1.182
186 HE ARG 25 HE ARG 25 11.461 -7.485 2.141
187 HH11 ARG 25 1HH1 ARG 25 11.765 -4.221 0.833
188 HH12 ARG 25 2HH1 ARG 25 13.318 -3.959 1.457
189 HH21 ARG 25 1HH2 ARG 25 13.576 -7.126 3.007
190 HH22 ARG 25 2HH2 ARG 25 14.369 -5.634 2.755
191 H ASP 26 H ASP 26 5.591 -5.331 1.763
192 HA ASP 26 HA ASP 26 5.861 -5.866 4.630
193 HB2 ASP 26 HB3 ASP 26 4.787 -3.395 3.241
194 HB3 ASP 26 HB2 ASP 26 5.179 -3.541 4.945
195 H ARG 27 H ARG 27 3.529 -6.167 2.185
196 HA ARG 27 HA ARG 27 1.444 -6.404 1.977
197 HB2 ARG 27 HB3 ARG 27 1.563 -7.539 4.768
198 HB3 ARG 27 HB2 ARG 27 0.242 -7.750 3.613
199 HG2 ARG 27 2HG ARG 27 1.371 -9.657 3.174
200 HG3 ARG 27 1HG ARG 27 2.183 -8.588 2.063
201 HD2 ARG 27 2HD ARG 27 3.825 -9.915 3.205
202 HD3 ARG 27 1HD ARG 27 3.962 -8.238 3.727
203 HE ARG 27 HE ARG 27 2.354 -10.025 5.347
204 HH11 ARG 27 1HH1 ARG 27 5.438 -8.373 4.918
205 HH12 ARG 27 2HH1 ARG 27 5.915 -8.504 6.549
206 HH21 ARG 27 1HH2 ARG 27 3.063 -10.295 7.614
207 HH22 ARG 27 2HH2 ARG 27 4.541 -9.604 8.094
208 H TRP 28 H TRP 28 2.353 -3.847 3.329
209 HA TRP 28 HA TRP 28 -0.370 -2.955 3.601
210 HB2 TRP 28 HB3 TRP 28 0.182 -1.396 5.421
211 HB3 TRP 28 HB2 TRP 28 0.507 -3.042 5.912
212 HD1 TRP 28 HD TRP 28 2.484 0.014 4.607
213 HE1 TRP 28 1HE TRP 28 4.747 0.077 5.817
214 HE3 TRP 28 3HE TRP 28 2.058 -4.258 7.337
215 HZ2 TRP 28 2HZ TRP 28 6.158 -1.452 7.678
216 HZ3 TRP 28 3HZ TRP 28 3.905 -4.893 8.816
217 HH2 TRP 28 HH TRP 28 5.921 -3.518 8.987
218 H CYS 29 H CYS 29 -0.380 -0.450 3.363
219 HA CYS 29 HA CYS 29 0.920 -0.021 0.878
220 HB2 CYS 29 HB3 CYS 29 -1.409 0.637 1.158
221 HB3 CYS 29 HB2 CYS 29 -0.955 1.751 2.446
222 H LYS 30 H LYS 30 2.465 1.456 0.426
223 HA LYS 30 HA LYS 30 3.517 3.134 2.548
224 HB2 LYS 30 HB3 LYS 30 5.098 1.051 1.118
225 HB3 LYS 30 HB2 LYS 30 5.821 2.446 1.848
226 HG2 LYS 30 2HG LYS 30 5.246 1.757 4.029
227 HG3 LYS 30 1HG LYS 30 4.082 0.582 3.413
228 HD2 LYS 30 2HD LYS 30 6.182 -0.406 4.271
229 HD3 LYS 30 1HD LYS 30 5.801 -0.832 2.604
230 HE2 LYS 30 2HE LYS 30 7.398 0.922 1.865
231 HE3 LYS 30 1HE LYS 30 7.816 1.201 3.556
232 HZ1 LYS 30 1HZ LYS 30 8.719 -0.942 3.738
233 HZ2 LYS 30 2HZ LYS 30 9.298 -0.399 2.245
234 HZ3 LYS 30 3HZ LYS 30 8.003 -1.475 2.333
235 H TYR 31 H TYR 31 4.968 4.693 1.878
236 HA TYR 31 HA TYR 31 4.416 5.722 -0.780
237 HB2 TYR 31 HB3 TYR 31 4.439 7.177 1.308
238 HB3 TYR 31 HB2 TYR 31 6.160 6.854 1.435
239 HD1 TYR 31 1HD TYR 31 7.743 7.873 -0.189
240 HD2 TYR 31 2HD TYR 31 3.570 8.678 -0.335
241 HE1 TYR 31 1HE TYR 31 8.164 9.797 -1.654
242 HE2 TYR 31 2HE TYR 31 3.970 10.578 -1.778
243 HH TYR 31 HH TYR 31 6.908 11.104 -3.335
244 H ASP 32 H ASP 32 5.726 5.013 -2.380
245 HA ASP 32 HA ASP 32 8.579 4.668 -1.772
246 HB2 ASP 32 HB3 ASP 32 7.396 2.466 -1.472
247 HB3 ASP 32 HB2 ASP 32 7.000 2.513 -3.185
248 H LEU 33 H LEU 33 6.384 6.083 -3.696
249 HA LEU 33 HA LEU 33 7.891 5.684 -6.164
250 HB2 LEU 33 HB3 LEU 33 5.197 6.981 -5.743
251 HB3 LEU 33 HB2 LEU 33 5.967 6.690 -7.289
252 HG LEU 33 HG LEU 33 4.963 4.568 -5.386
253 HD11 LEU 33 HD11 LEU 33 3.170 5.781 -6.478
254 HD12 LEU 33 HD12 LEU 33 3.289 4.135 -7.086
255 HD13 LEU 33 HD13 LEU 33 3.905 5.478 -8.054
256 HD21 LEU 33 HD21 LEU 33 6.920 3.793 -6.629
257 HD22 LEU 33 HD22 LEU 33 6.164 4.301 -8.142
258 HD23 LEU 33 HD23 LEU 33 5.452 2.996 -7.196
259 HN1 NH2 34 HN1 NH2 34 9.623 6.998 -5.643
260 HN2 NH2 34 HN2 NH2 34 9.498 8.718 -5.535
Start of MODEL 2
1 H1 ASP 1 1HT ASP 1 -13.330 6.446 0.669
2 H2 ASP 1 2HT ASP 1 -13.540 6.295 -0.993
3 H3 ASP 1 3HT ASP 1 -13.898 7.764 -0.217
4 HA ASP 1 HA ASP 1 -11.802 7.810 -1.428
5 HB2 ASP 1 HB3 ASP 1 -11.639 8.030 1.592
6 HB3 ASP 1 HB2 ASP 1 -10.443 8.681 0.475
7 H CYS 2 H CYS 2 -9.381 7.351 -0.511
8 HA CYS 2 HA CYS 2 -9.265 4.458 -0.249
9 HB2 CYS 2 HB3 CYS 2 -6.964 4.878 -1.189
10 HB3 CYS 2 HB2 CYS 2 -8.320 4.875 -2.304
11 H LEU 3 H LEU 3 -6.902 3.900 0.561
12 HA LEU 3 HA LEU 3 -6.797 4.940 3.242
13 HB2 LEU 3 HB3 LEU 3 -5.078 2.866 1.961
14 HB3 LEU 3 HB2 LEU 3 -5.507 3.062 3.644
15 HG LEU 3 HG LEU 3 -7.416 2.300 1.488
16 HD11 LEU 3 HD11 LEU 3 -5.962 0.575 3.537
17 HD12 LEU 3 HD12 LEU 3 -5.711 0.559 1.791
18 HD13 LEU 3 HD13 LEU 3 -7.237 -0.005 2.463
19 HD21 LEU 3 HD21 LEU 3 -7.667 2.224 4.502
20 HD22 LEU 3 HD22 LEU 3 -8.865 1.597 3.369
21 HD23 LEU 3 HD23 LEU 3 -8.496 3.323 3.398
22 H GLY 4 H GLY 4 -4.800 5.649 4.163
23 HA2 GLY 4 2HA GLY 4 -2.845 6.747 2.319
24 HA3 GLY 4 1HA GLY 4 -2.911 7.001 4.074
25 H TRP 5 H TRP 5 -0.380 6.216 3.565
26 HA TRP 5 HA TRP 5 -0.483 3.476 3.201
27 HB2 TRP 5 HB3 TRP 5 1.645 3.587 2.634
28 HB3 TRP 5 HB2 TRP 5 1.139 5.169 2.202
29 HD1 TRP 5 HD TRP 5 3.562 3.326 4.369
30 HE1 TRP 5 1HE TRP 5 5.251 4.923 5.334
31 HE3 TRP 5 3HE TRP 5 1.224 7.680 3.169
32 HZ2 TRP 5 2HZ TRP 5 5.549 7.760 5.628
33 HZ3 TRP 5 3HZ TRP 5 2.269 9.796 3.838
34 HH2 TRP 5 HH TRP 5 4.387 9.829 5.045
35 H PHE 6 H PHE 6 1.295 2.370 4.684
36 HA PHE 6 HA PHE 6 1.586 1.242 6.545
37 HB2 PHE 6 HB3 PHE 6 0.561 3.715 7.934
38 HB3 PHE 6 HB2 PHE 6 0.915 2.225 8.798
39 HD1 PHE 6 1HD PHE 6 3.289 1.220 8.345
40 HD2 PHE 6 2HD PHE 6 2.245 5.302 7.742
41 HE1 PHE 6 1HE PHE 6 5.647 1.851 8.566
42 HE2 PHE 6 2HE PHE 6 4.603 5.935 7.951
43 HZ PHE 6 HZ PHE 6 6.313 4.206 8.366
44 H LYS 7 H LYS 7 -1.471 2.181 5.519
45 HA LYS 7 HA LYS 7 -2.937 0.533 7.258
46 HB2 LYS 7 HB3 LYS 7 -3.612 1.767 4.597
47 HB3 LYS 7 HB2 LYS 7 -4.747 1.031 5.709
48 HG2 LYS 7 2HG LYS 7 -3.065 3.405 6.396
49 HG3 LYS 7 1HG LYS 7 -4.718 3.504 5.796
50 HD2 LYS 7 2HD LYS 7 -5.457 2.146 7.732
51 HD3 LYS 7 1HD LYS 7 -3.798 2.099 8.312
52 HE2 LYS 7 2HE LYS 7 -5.436 4.577 7.912
53 HE3 LYS 7 1HE LYS 7 -5.164 3.781 9.462
54 HZ1 LYS 7 1HZ LYS 7 -2.785 4.216 9.210
55 HZ2 LYS 7 2HZ LYS 7 -3.656 5.646 9.152
56 HZ3 LYS 7 3HZ LYS 7 -3.064 4.989 7.735
57 H SER 8 H SER 8 -3.968 -1.237 6.599
58 HA SER 8 HA SER 8 -2.301 -3.148 5.371
59 HB2 SER 8 HB3 SER 8 -5.121 -3.364 6.399
60 HB3 SER 8 HB2 SER 8 -3.953 -4.667 6.156
61 HG SER 8 HG SER 8 -4.270 -3.560 8.346
62 H CYS 9 H CYS 9 -2.710 -4.314 3.454
63 HA CYS 9 HA CYS 9 -4.858 -3.439 1.776
64 HB2 CYS 9 HB3 CYS 9 -3.163 -3.219 -0.057
65 HB3 CYS 9 HB2 CYS 9 -3.160 -1.933 1.141
66 H ASP 10 H ASP 10 -4.424 -4.675 -0.386
67 HA ASP 10 HA ASP 10 -3.599 -7.445 0.145
68 HB2 ASP 10 HB3 ASP 10 -6.080 -7.202 -0.205
69 HB3 ASP 10 HB2 ASP 10 -5.749 -6.467 -1.769
70 HA PRO 11 HA PRO 11 -0.611 -6.217 -2.856
71 HB2 PRO 11 HB3 PRO 11 0.216 -8.655 -3.759
72 HB3 PRO 11 HB2 PRO 11 0.715 -7.956 -2.212
73 HG2 PRO 11 2HG PRO 11 -1.408 -9.984 -2.781
74 HG3 PRO 11 1HG PRO 11 -0.223 -9.950 -1.465
75 HD2 PRO 11 2HD PRO 11 -2.788 -9.195 -1.096
76 HD3 PRO 11 1HD PRO 11 -1.436 -8.422 -0.240
77 H LYS 12 H LYS 12 -3.292 -8.300 -3.864
78 HA LYS 12 HA LYS 12 -2.693 -7.763 -6.620
79 HB2 LYS 12 HB3 LYS 12 -4.461 -9.605 -5.115
80 HB3 LYS 12 HB2 LYS 12 -4.580 -9.361 -6.845
81 HG2 LYS 12 2HG LYS 12 -2.289 -10.165 -7.132
82 HG3 LYS 12 1HG LYS 12 -2.090 -10.264 -5.382
83 HD2 LYS 12 2HD LYS 12 -2.479 -12.467 -6.261
84 HD3 LYS 12 1HD LYS 12 -3.865 -11.946 -5.308
85 HE2 LYS 12 2HE LYS 12 -4.623 -13.059 -7.332
86 HE3 LYS 12 1HE LYS 12 -5.063 -11.359 -7.375
87 HZ1 LYS 12 1HZ LYS 12 -2.720 -12.547 -8.772
88 HZ2 LYS 12 2HZ LYS 12 -3.220 -10.934 -8.884
89 HZ3 LYS 12 3HZ LYS 12 -4.186 -12.154 -9.484
90 H ASN 13 H ASN 13 -4.482 -6.527 -4.095
91 HA ASN 13 HA ASN 13 -6.070 -4.978 -5.946
92 HB2 ASN 13 HB3 ASN 13 -7.444 -7.000 -5.320
93 HB3 ASN 13 HB2 ASN 13 -7.446 -6.412 -3.665
94 HD21 ASN 13 HD21 ASN 13 -9.714 -6.240 -3.727
95 HD22 ASN 13 HD22 ASN 13 -10.520 -4.959 -4.553
96 H ASP 14 H ASP 14 -4.745 -3.385 -5.337
97 HA ASP 14 HA ASP 14 -4.211 -2.534 -2.679
98 HB2 ASP 14 HB3 ASP 14 -2.748 -2.069 -4.607
99 HB3 ASP 14 HB2 ASP 14 -4.018 -1.022 -5.260
100 H LYS 15 H LYS 15 -5.070 -0.897 -1.554
101 HA LYS 15 HA LYS 15 -7.696 0.142 -2.423
102 HB2 LYS 15 HB3 LYS 15 -6.793 -0.609 0.348
103 HB3 LYS 15 HB2 LYS 15 -8.377 -0.028 -0.116
104 HG2 LYS 15 2HG LYS 15 -7.155 -2.647 -0.980
105 HG3 LYS 15 1HG LYS 15 -8.296 -2.450 0.348
106 HD2 LYS 15 2HD LYS 15 -9.982 -1.638 -1.228
107 HD3 LYS 15 1HD LYS 15 -8.832 -1.821 -2.553
108 HE2 LYS 15 2HE LYS 15 -10.366 -3.722 -2.444
109 HE3 LYS 15 1HE LYS 15 -8.703 -4.213 -2.142
110 HZ1 LYS 15 1HZ LYS 15 -10.218 -5.278 -0.621
111 HZ2 LYS 15 2HZ LYS 15 -10.802 -3.800 -0.082
112 HZ3 LYS 15 3HZ LYS 15 -9.209 -4.243 0.245
113 H CYS 16 H CYS 16 -4.672 1.171 -2.172
114 HA CYS 16 HA CYS 16 -5.186 3.291 -0.265
115 HB2 CYS 16 HB3 CYS 16 -2.599 2.180 -1.355
116 HB3 CYS 16 HB2 CYS 16 -2.721 3.533 -0.225
117 H CYS 17 H CYS 17 -4.288 5.457 -0.807
118 HA CYS 17 HA CYS 17 -5.278 6.262 -3.247
119 HB2 CYS 17 HB3 CYS 17 -3.616 7.686 -1.172
120 HB3 CYS 17 HB2 CYS 17 -4.459 8.453 -2.511
121 H LYS 18 H LYS 18 -3.915 7.682 -4.650
122 HA LYS 18 HA LYS 18 -1.988 6.143 -5.900
123 HB2 LYS 18 HB3 LYS 18 -3.480 7.893 -6.946
124 HB3 LYS 18 HB2 LYS 18 -2.426 9.110 -6.254
125 HG2 LYS 18 2HG LYS 18 -1.916 8.732 -8.608
126 HG3 LYS 18 1HG LYS 18 -0.556 8.281 -7.579
127 HD2 LYS 18 2HD LYS 18 -0.898 6.634 -9.342
128 HD3 LYS 18 1HD LYS 18 -1.202 5.910 -7.768
129 HE2 LYS 18 2HE LYS 18 -3.650 6.276 -8.165
130 HE3 LYS 18 1HE LYS 18 -3.249 6.851 -9.781
131 HZ1 LYS 18 1HZ LYS 18 -3.885 4.553 -9.853
132 HZ2 LYS 18 2HZ LYS 18 -2.761 4.141 -8.685
133 HZ3 LYS 18 3HZ LYS 18 -2.237 4.631 -10.205
134 H ASN 19 H ASN 19 0.083 6.478 -6.155
135 HA ASN 19 HA ASN 19 2.268 6.913 -5.747
136 HB2 ASN 19 HB3 ASN 19 1.314 9.090 -3.878
137 HB3 ASN 19 HB2 ASN 19 3.005 8.732 -4.197
138 HD21 ASN 19 HD21 ASN 19 2.612 8.249 -7.078
139 HD22 ASN 19 HD22 ASN 19 2.313 9.801 -7.755
140 H TYR 20 H TYR 20 0.113 6.365 -3.206
141 HA TYR 20 HA TYR 20 2.170 4.951 -1.739
142 HB2 TYR 20 HB3 TYR 20 -0.773 4.944 -1.160
143 HB3 TYR 20 HB2 TYR 20 0.573 4.653 -0.084
144 HD1 TYR 20 1HD TYR 20 -1.713 7.083 -1.211
145 HD2 TYR 20 2HD TYR 20 2.160 6.645 0.444
146 HE1 TYR 20 1HE TYR 20 -1.761 9.438 -0.518
147 HE2 TYR 20 2HE TYR 20 2.140 8.996 1.143
148 HH TYR 20 HH TYR 20 1.052 11.061 0.586
149 H THR 21 H THR 21 2.153 2.740 -1.751
150 HA THR 21 HA THR 21 0.116 1.385 -3.342
151 HB THR 21 HB THR 21 3.014 0.846 -3.888
152 HG1 THR 21 1HG THR 21 1.356 2.892 -4.826
153 HG21 THR 21 1HG2 THR 21 0.502 0.356 -5.508
154 HG22 THR 21 2HG2 THR 21 1.380 -0.851 -4.573
155 HG23 THR 21 3HG2 THR 21 2.135 -0.117 -5.985
156 H CYS 22 H CYS 22 -0.156 -0.651 -2.718
157 HA CYS 22 HA CYS 22 0.611 -1.552 -0.216
158 HB2 CYS 22 HB3 CYS 22 -1.320 -2.283 -1.477
159 HB3 CYS 22 HB2 CYS 22 -0.268 -3.233 -2.553
160 H SER 23 H SER 23 2.217 -2.597 0.490
161 HA SER 23 HA SER 23 4.441 -3.221 -1.292
162 HB2 SER 23 HB3 SER 23 5.007 -1.845 0.640
163 HB3 SER 23 HB2 SER 23 4.277 -3.017 1.731
164 HG SER 23 HG SER 23 6.619 -3.284 0.164
165 H ARG 24 H ARG 24 5.066 -5.261 -1.658
166 HA ARG 24 HA ARG 24 3.428 -7.391 -0.571
167 HB2 ARG 24 HB3 ARG 24 4.054 -7.343 -2.985
168 HB3 ARG 24 HB2 ARG 24 5.739 -7.493 -2.530
169 HG2 ARG 24 2HG ARG 24 4.769 -9.611 -3.337
170 HG3 ARG 24 1HG ARG 24 5.352 -9.727 -1.677
171 HD2 ARG 24 2HD ARG 24 3.134 -9.657 -0.802
172 HD3 ARG 24 1HD ARG 24 2.476 -9.150 -2.347
173 HE ARG 24 HE ARG 24 3.413 -11.442 -3.094
174 HH11 ARG 24 1HH1 ARG 24 2.027 -10.932 0.112
175 HH12 ARG 24 2HH1 ARG 24 1.135 -12.376 0.119
176 HH21 ARG 24 1HH2 ARG 24 2.246 -13.466 -3.074
177 HH22 ARG 24 2HH2 ARG 24 1.275 -13.868 -1.738
178 H ARG 25 H ARG 25 6.286 -5.763 0.094
179 HA ARG 25 HA ARG 25 7.734 -7.856 1.327
180 HB2 ARG 25 HB3 ARG 25 8.703 -5.807 0.277
181 HB3 ARG 25 HB2 ARG 25 8.000 -4.865 1.583
182 HG2 ARG 25 2HG ARG 25 10.249 -5.197 2.107
183 HG3 ARG 25 1HG ARG 25 9.289 -6.265 3.152
184 HD2 ARG 25 2HD ARG 25 11.260 -7.448 2.259
185 HD3 ARG 25 1HD ARG 25 9.756 -8.159 1.674
186 HE ARG 25 HE ARG 25 10.827 -6.151 -0.048
187 HH11 ARG 25 1HH1 ARG 25 10.998 -9.617 0.722
188 HH12 ARG 25 2HH1 ARG 25 11.580 -10.070 -0.811
189 HH21 ARG 25 1HH2 ARG 25 11.599 -6.788 -2.162
190 HH22 ARG 25 2HH2 ARG 25 11.951 -8.433 -2.477
191 H ASP 26 H ASP 26 6.026 -4.941 2.482
192 HA ASP 26 HA ASP 26 6.071 -6.036 5.198
193 HB2 ASP 26 HB3 ASP 26 5.307 -3.289 4.216
194 HB3 ASP 26 HB2 ASP 26 5.325 -3.787 5.903
195 H ARG 27 H ARG 27 3.978 -5.899 2.612
196 HA ARG 27 HA ARG 27 1.929 -6.428 2.209
197 HB2 ARG 27 HB3 ARG 27 1.723 -7.351 5.071
198 HB3 ARG 27 HB2 ARG 27 0.597 -7.674 3.742
199 HG2 ARG 27 2HG ARG 27 2.357 -8.886 2.563
200 HG3 ARG 27 1HG ARG 27 3.432 -8.632 3.939
201 HD2 ARG 27 2HD ARG 27 1.789 -9.812 5.374
202 HD3 ARG 27 1HD ARG 27 0.825 -10.151 3.939
203 HE ARG 27 HE ARG 27 3.605 -10.995 4.033
204 HH11 ARG 27 1HH1 ARG 27 0.187 -11.970 3.933
205 HH12 ARG 27 2HH1 ARG 27 0.560 -13.621 3.654
206 HH21 ARG 27 1HH2 ARG 27 4.043 -13.216 3.664
207 HH22 ARG 27 2HH2 ARG 27 2.768 -14.337 3.486
208 H TRP 28 H TRP 28 2.660 -3.820 3.731
209 HA TRP 28 HA TRP 28 -0.111 -2.926 3.652
210 HB2 TRP 28 HB3 TRP 28 0.252 -1.313 5.452
211 HB3 TRP 28 HB2 TRP 28 0.564 -2.926 6.049
212 HD1 TRP 28 HD TRP 28 2.683 0.073 4.719
213 HE1 TRP 28 1HE TRP 28 4.781 0.260 6.196
214 HE3 TRP 28 3HE TRP 28 1.902 -3.949 7.762
215 HZ2 TRP 28 2HZ TRP 28 5.947 -1.103 8.351
216 HZ3 TRP 28 3HZ TRP 28 3.561 -4.428 9.518
217 HH2 TRP 28 HH TRP 28 5.532 -3.036 9.800
218 H CYS 29 H CYS 29 -0.256 -0.565 3.177
219 HA CYS 29 HA CYS 29 1.237 -0.120 0.861
220 HB2 CYS 29 HB3 CYS 29 -0.733 1.415 2.459
221 HB3 CYS 29 HB2 CYS 29 -0.036 2.037 0.961
222 H LYS 30 H LYS 30 2.856 1.214 0.478
223 HA LYS 30 HA LYS 30 3.648 3.135 2.497
224 HB2 LYS 30 HB3 LYS 30 5.498 1.197 1.123
225 HB3 LYS 30 HB2 LYS 30 6.035 2.696 1.829
226 HG2 LYS 30 2HG LYS 30 5.319 1.922 4.023
227 HG3 LYS 30 1HG LYS 30 4.719 0.423 3.299
228 HD2 LYS 30 2HD LYS 30 6.913 -0.222 2.632
229 HD3 LYS 30 1HD LYS 30 7.574 1.354 3.076
230 HE2 LYS 30 2HE LYS 30 7.074 0.919 5.404
231 HE3 LYS 30 1HE LYS 30 6.348 -0.629 4.980
232 HZ1 LYS 30 1HZ LYS 30 8.692 -0.713 5.814
233 HZ2 LYS 30 2HZ LYS 30 9.182 -0.018 4.343
234 HZ3 LYS 30 3HZ LYS 30 8.377 -1.504 4.377
235 H TYR 31 H TYR 31 5.217 4.708 1.507
236 HA TYR 31 HA TYR 31 3.975 5.692 -0.885
237 HB2 TYR 31 HB3 TYR 31 4.620 7.158 1.009
238 HB3 TYR 31 HB2 TYR 31 6.299 6.726 0.750
239 HD1 TYR 31 1HD TYR 31 7.616 8.183 -0.469
240 HD2 TYR 31 2HD TYR 31 3.409 8.209 -1.096
241 HE1 TYR 31 1HE TYR 31 7.854 10.124 -1.933
242 HE2 TYR 31 2HE TYR 31 3.635 10.147 -2.567
243 HH TYR 31 HH TYR 31 6.675 11.289 -3.682
244 H ASP 32 H ASP 32 4.546 4.892 -2.746
245 HA ASP 32 HA ASP 32 7.323 3.992 -3.189
246 HB2 ASP 32 HB3 ASP 32 5.651 2.189 -3.327
247 HB3 ASP 32 HB2 ASP 32 4.756 3.094 -4.535
248 H LEU 33 H LEU 33 4.891 6.149 -4.044
249 HA LEU 33 HA LEU 33 4.707 7.903 -5.333
250 HB2 LEU 33 HB3 LEU 33 6.977 8.492 -4.724
251 HB3 LEU 33 HB2 LEU 33 7.624 7.470 -5.987
252 HG LEU 33 HG LEU 33 6.610 8.964 -7.689
253 HD11 LEU 33 HD11 LEU 33 5.870 10.676 -5.325
254 HD12 LEU 33 HD12 LEU 33 4.754 9.850 -6.413
255 HD13 LEU 33 HD13 LEU 33 5.767 11.159 -7.017
256 HD21 LEU 33 HD21 LEU 33 8.152 10.832 -7.378
257 HD22 LEU 33 HD22 LEU 33 8.918 9.287 -7.000
258 HD23 LEU 33 HD23 LEU 33 8.386 10.353 -5.697
259 HN1 NH2 34 HN1 NH2 34 6.964 6.417 -7.544
260 HN2 NH2 34 HN2 NH2 34 5.792 6.062 -8.761
Start of MODEL 3
1 H1 ASP 1 1HT ASP 1 -13.466 5.115 -0.324
2 H2 ASP 1 2HT ASP 1 -13.171 5.881 -1.784
3 H3 ASP 1 3HT ASP 1 -14.122 6.646 -0.616
4 HA ASP 1 HA ASP 1 -11.892 7.592 -0.689
5 HB2 ASP 1 HB3 ASP 1 -12.316 5.864 1.761
6 HB3 ASP 1 HB2 ASP 1 -11.265 7.264 1.659
7 H CYS 2 H CYS 2 -9.594 7.053 0.155
8 HA CYS 2 HA CYS 2 -8.974 4.267 -0.344
9 HB2 CYS 2 HB3 CYS 2 -6.799 4.994 -1.189
10 HB3 CYS 2 HB2 CYS 2 -8.128 5.231 -2.305
11 H LEU 3 H LEU 3 -6.689 3.808 0.416
12 HA LEU 3 HA LEU 3 -6.708 4.454 3.234
13 HB2 LEU 3 HB3 LEU 3 -4.964 2.543 1.748
14 HB3 LEU 3 HB2 LEU 3 -5.449 2.528 3.429
15 HG LEU 3 HG LEU 3 -7.294 2.092 1.129
16 HD11 LEU 3 HD11 LEU 3 -5.989 0.082 3.013
17 HD12 LEU 3 HD12 LEU 3 -5.651 0.256 1.289
18 HD13 LEU 3 HD13 LEU 3 -7.229 -0.321 1.826
19 HD21 LEU 3 HD21 LEU 3 -8.819 1.193 2.867
20 HD22 LEU 3 HD22 LEU 3 -8.438 2.900 3.090
21 HD23 LEU 3 HD23 LEU 3 -7.656 1.682 4.098
22 H GLY 4 H GLY 4 -4.921 5.326 4.266
23 HA2 GLY 4 2HA GLY 4 -2.843 6.526 2.667
24 HA3 GLY 4 1HA GLY 4 -3.051 6.662 4.422
25 H TRP 5 H TRP 5 -0.470 6.023 3.884
26 HA TRP 5 HA TRP 5 -0.392 3.297 3.448
27 HB2 TRP 5 HB3 TRP 5 1.738 3.588 2.954
28 HB3 TRP 5 HB2 TRP 5 1.128 5.154 2.589
29 HD1 TRP 5 HD TRP 5 3.803 3.448 4.381
30 HE1 TRP 5 1HE TRP 5 5.279 5.032 5.590
31 HE3 TRP 5 3HE TRP 5 0.732 7.547 4.238
32 HZ2 TRP 5 2HZ TRP 5 5.170 7.765 6.503
33 HZ3 TRP 5 3HZ TRP 5 1.502 9.600 5.333
34 HH2 TRP 5 HH TRP 5 3.675 9.703 6.441
35 H PHE 6 H PHE 6 1.282 2.161 4.865
36 HA PHE 6 HA PHE 6 1.674 1.011 6.684
37 HB2 PHE 6 HB3 PHE 6 0.554 3.374 8.169
38 HB3 PHE 6 HB2 PHE 6 0.886 1.848 8.978
39 HD1 PHE 6 1HD PHE 6 3.286 0.883 8.582
40 HD2 PHE 6 2HD PHE 6 2.222 4.972 8.099
41 HE1 PHE 6 1HE PHE 6 5.627 1.519 8.924
42 HE2 PHE 6 2HE PHE 6 4.575 5.620 8.429
43 HZ PHE 6 HZ PHE 6 6.282 3.891 8.844
44 H LYS 7 H LYS 7 -1.392 1.681 5.563
45 HA LYS 7 HA LYS 7 -2.707 -0.166 7.277
46 HB2 LYS 7 HB3 LYS 7 -3.566 1.056 4.684
47 HB3 LYS 7 HB2 LYS 7 -4.583 0.243 5.844
48 HG2 LYS 7 2HG LYS 7 -3.073 2.749 6.480
49 HG3 LYS 7 1HG LYS 7 -4.747 2.733 5.943
50 HD2 LYS 7 2HD LYS 7 -5.328 1.340 7.909
51 HD3 LYS 7 1HD LYS 7 -3.640 1.375 8.417
52 HE2 LYS 7 2HE LYS 7 -3.760 3.790 8.682
53 HE3 LYS 7 1HE LYS 7 -5.439 3.771 8.135
54 HZ1 LYS 7 1HZ LYS 7 -6.002 2.429 10.058
55 HZ2 LYS 7 2HZ LYS 7 -5.270 3.855 10.559
56 HZ3 LYS 7 3HZ LYS 7 -4.409 2.416 10.563
57 H SER 8 H SER 8 -3.364 -2.046 6.645
58 HA SER 8 HA SER 8 -1.564 -3.624 5.161
59 HB2 SER 8 HB3 SER 8 -4.233 -4.299 6.366
60 HB3 SER 8 HB2 SER 8 -2.921 -5.405 5.952
61 HG SER 8 HG SER 8 -1.611 -4.138 7.443
62 H CYS 9 H CYS 9 -2.057 -4.896 3.244
63 HA CYS 9 HA CYS 9 -4.437 -4.248 1.811
64 HB2 CYS 9 HB3 CYS 9 -3.050 -3.459 -0.076
65 HB3 CYS 9 HB2 CYS 9 -3.162 -2.340 1.285
66 H ASP 10 H ASP 10 -4.051 -5.071 -0.489
67 HA ASP 10 HA ASP 10 -2.470 -7.549 -0.645
68 HB2 ASP 10 HB3 ASP 10 -4.899 -8.051 -0.436
69 HB3 ASP 10 HB2 ASP 10 -5.224 -6.991 -1.799
70 HA PRO 11 HA PRO 11 -0.728 -5.189 -3.976
71 HB2 PRO 11 HB3 PRO 11 0.349 -7.180 -5.490
72 HB3 PRO 11 HB2 PRO 11 1.077 -6.611 -3.982
73 HG2 PRO 11 2HG PRO 11 -0.671 -8.991 -4.465
74 HG3 PRO 11 1HG PRO 11 0.805 -8.871 -3.491
75 HD2 PRO 11 2HD PRO 11 -1.636 -8.830 -2.354
76 HD3 PRO 11 1HD PRO 11 -0.296 -7.850 -1.724
77 H LYS 12 H LYS 12 -3.040 -7.772 -4.696
78 HA LYS 12 HA LYS 12 -3.258 -6.950 -7.416
79 HB2 LYS 12 HB3 LYS 12 -4.579 -9.030 -5.728
80 HB3 LYS 12 HB2 LYS 12 -4.800 -8.816 -7.454
81 HG2 LYS 12 2HG LYS 12 -2.392 -9.274 -7.790
82 HG3 LYS 12 1HG LYS 12 -2.222 -9.492 -6.054
83 HD2 LYS 12 2HD LYS 12 -3.781 -11.346 -6.131
84 HD3 LYS 12 1HD LYS 12 -3.940 -11.141 -7.883
85 HE2 LYS 12 2HE LYS 12 -1.552 -11.576 -8.143
86 HE3 LYS 12 1HE LYS 12 -1.407 -11.764 -6.393
87 HZ1 LYS 12 1HZ LYS 12 -3.021 -13.475 -8.187
88 HZ2 LYS 12 2HZ LYS 12 -2.844 -13.689 -6.515
89 HZ3 LYS 12 3HZ LYS 12 -1.522 -13.871 -7.549
90 H ASN 13 H ASN 13 -4.617 -6.392 -4.366
91 HA ASN 13 HA ASN 13 -6.754 -4.821 -5.621
92 HB2 ASN 13 HB3 ASN 13 -7.812 -6.775 -4.533
93 HB3 ASN 13 HB2 ASN 13 -7.037 -6.353 -3.013
94 HD21 ASN 13 HD21 ASN 13 -8.973 -6.092 -1.915
95 HD22 ASN 13 HD22 ASN 13 -10.065 -4.795 -2.217
96 H ASP 14 H ASP 14 -5.065 -3.256 -5.536
97 HA ASP 14 HA ASP 14 -4.301 -2.275 -2.930
98 HB2 ASP 14 HB3 ASP 14 -2.835 -2.175 -4.955
99 HB3 ASP 14 HB2 ASP 14 -3.913 -0.916 -5.587
100 H LYS 15 H LYS 15 -5.161 -0.663 -1.968
101 HA LYS 15 HA LYS 15 -7.385 0.792 -3.194
102 HB2 LYS 15 HB3 LYS 15 -7.360 -0.705 -0.596
103 HB3 LYS 15 HB2 LYS 15 -8.469 0.619 -0.887
104 HG2 LYS 15 2HG LYS 15 -8.284 -1.901 -2.548
105 HG3 LYS 15 1HG LYS 15 -9.479 -1.613 -1.283
106 HD2 LYS 15 2HD LYS 15 -10.333 0.322 -2.537
107 HD3 LYS 15 1HD LYS 15 -9.140 0.034 -3.800
108 HE2 LYS 15 2HE LYS 15 -10.131 -2.147 -4.247
109 HE3 LYS 15 1HE LYS 15 -11.314 -1.873 -2.971
110 HZ1 LYS 15 1HZ LYS 15 -11.028 -0.200 -5.409
111 HZ2 LYS 15 2HZ LYS 15 -12.203 -0.017 -4.221
112 HZ3 LYS 15 3HZ LYS 15 -12.191 -1.395 -5.191
113 H CYS 16 H CYS 16 -4.497 1.252 -2.362
114 HA CYS 16 HA CYS 16 -4.919 3.255 -0.332
115 HB2 CYS 16 HB3 CYS 16 -2.395 2.100 -1.529
116 HB3 CYS 16 HB2 CYS 16 -2.444 3.318 -0.252
117 H CYS 17 H CYS 17 -4.120 5.403 -0.644
118 HA CYS 17 HA CYS 17 -4.979 6.489 -3.007
119 HB2 CYS 17 HB3 CYS 17 -3.268 7.651 -0.823
120 HB3 CYS 17 HB2 CYS 17 -4.194 8.552 -2.012
121 H LYS 18 H LYS 18 -3.671 7.911 -4.289
122 HA LYS 18 HA LYS 18 -1.763 6.553 -5.737
123 HB2 LYS 18 HB3 LYS 18 -3.301 8.388 -6.525
124 HB3 LYS 18 HB2 LYS 18 -2.247 9.525 -5.713
125 HG2 LYS 18 2HG LYS 18 -1.790 9.499 -8.082
126 HG3 LYS 18 1HG LYS 18 -0.403 8.879 -7.187
127 HD2 LYS 18 2HD LYS 18 -0.848 7.558 -9.212
128 HD3 LYS 18 1HD LYS 18 -1.054 6.585 -7.760
129 HE2 LYS 18 2HE LYS 18 -3.456 6.798 -7.911
130 HE3 LYS 18 1HE LYS 18 -3.311 7.909 -9.272
131 HZ1 LYS 18 1HZ LYS 18 -2.365 6.111 -10.573
132 HZ2 LYS 18 2HZ LYS 18 -3.865 5.666 -10.000
133 HZ3 LYS 18 3HZ LYS 18 -2.475 5.054 -9.271
134 H ASN 19 H ASN 19 0.294 6.961 -6.042
135 HA ASN 19 HA ASN 19 2.451 7.361 -5.694
136 HB2 ASN 19 HB3 ASN 19 1.611 9.291 -3.523
137 HB3 ASN 19 HB2 ASN 19 3.291 8.933 -3.899
138 HD21 ASN 19 HD21 ASN 19 3.758 11.025 -4.494
139 HD22 ASN 19 HD22 ASN 19 3.161 11.736 -5.945
140 H TYR 20 H TYR 20 0.495 6.561 -3.061
141 HA TYR 20 HA TYR 20 2.571 5.004 -1.824
142 HB2 TYR 20 HB3 TYR 20 -0.398 5.036 -1.251
143 HB3 TYR 20 HB2 TYR 20 0.884 4.353 -0.273
144 HD1 TYR 20 1HD TYR 20 2.574 5.865 0.794
145 HD2 TYR 20 2HD TYR 20 -0.991 7.339 -0.975
146 HE1 TYR 20 1HE TYR 20 2.823 7.940 2.054
147 HE2 TYR 20 2HE TYR 20 -0.752 9.434 0.281
148 HH TYR 20 HH TYR 20 2.096 10.300 1.877
149 H THR 21 H THR 21 2.437 2.739 -1.750
150 HA THR 21 HA THR 21 0.626 1.428 -3.618
151 HB THR 21 HB THR 21 3.585 0.940 -3.747
152 HG1 THR 21 1HG THR 21 2.085 2.965 -4.788
153 HG21 THR 21 1HG2 THR 21 3.036 -0.094 -5.926
154 HG22 THR 21 2HG2 THR 21 1.330 0.266 -5.649
155 HG23 THR 21 3HG2 THR 21 2.179 -0.863 -4.592
156 H CYS 22 H CYS 22 0.301 -0.646 -3.072
157 HA CYS 22 HA CYS 22 0.805 -1.486 -0.429
158 HB2 CYS 22 HB3 CYS 22 -1.162 -2.159 -1.650
159 HB3 CYS 22 HB2 CYS 22 -0.156 -3.102 -2.770
160 H SER 23 H SER 23 2.259 -2.722 0.378
161 HA SER 23 HA SER 23 4.359 -3.780 -1.363
162 HB2 SER 23 HB3 SER 23 5.179 -2.311 0.401
163 HB3 SER 23 HB2 SER 23 4.279 -3.208 1.617
164 HG SER 23 HG SER 23 6.592 -3.672 1.442
165 H ARG 24 H ARG 24 4.623 -5.959 -1.481
166 HA ARG 24 HA ARG 24 2.690 -7.549 -0.015
167 HB2 ARG 24 HB3 ARG 24 2.987 -7.963 -2.471
168 HB3 ARG 24 HB2 ARG 24 4.638 -8.471 -2.155
169 HG2 ARG 24 2HG ARG 24 3.073 -10.371 -2.454
170 HG3 ARG 24 1HG ARG 24 3.862 -10.372 -0.872
171 HD2 ARG 24 2HD ARG 24 1.890 -9.405 0.149
172 HD3 ARG 24 1HD ARG 24 1.107 -9.273 -1.423
173 HE ARG 24 HE ARG 24 1.777 -11.925 -1.004
174 HH11 ARG 24 1HH1 ARG 24 -0.322 -9.508 0.492
175 HH12 ARG 24 2HH1 ARG 24 -1.551 -10.618 0.910
176 HH21 ARG 24 1HH2 ARG 24 0.114 -13.459 -0.427
177 HH22 ARG 24 2HH2 ARG 24 -1.274 -12.952 0.408
178 H ARG 25 H ARG 25 5.923 -6.655 -0.027
179 HA ARG 25 HA ARG 25 7.082 -8.723 1.504
180 HB2 ARG 25 HB3 ARG 25 8.310 -7.099 0.131
181 HB3 ARG 25 HB2 ARG 25 7.761 -5.806 1.183
182 HG2 ARG 25 2HG ARG 25 8.930 -6.969 3.043
183 HG3 ARG 25 1HG ARG 25 9.642 -8.035 1.819
184 HD2 ARG 25 2HD ARG 25 9.878 -5.039 1.954
185 HD3 ARG 25 1HD ARG 25 11.162 -6.191 2.317
186 HE ARG 25 HE ARG 25 10.826 -6.895 -0.094
187 HH11 ARG 25 1HH1 ARG 25 10.461 -3.568 1.054
188 HH12 ARG 25 2HH1 ARG 25 10.812 -2.844 -0.441
189 HH21 ARG 25 1HH2 ARG 25 11.353 -5.894 -2.167
190 HH22 ARG 25 2HH2 ARG 25 11.343 -4.199 -2.300
191 H ASP 26 H ASP 26 5.925 -5.458 2.235
192 HA ASP 26 HA ASP 26 6.110 -5.879 5.106
193 HB2 ASP 26 HB3 ASP 26 5.095 -3.476 3.567
194 HB3 ASP 26 HB2 ASP 26 5.401 -3.535 5.295
195 H ARG 27 H ARG 27 3.788 -6.081 2.622
196 HA ARG 27 HA ARG 27 1.705 -6.663 2.485
197 HB2 ARG 27 HB3 ARG 27 1.902 -7.284 5.435
198 HB3 ARG 27 HB2 ARG 27 0.555 -7.681 4.363
199 HG2 ARG 27 2HG ARG 27 1.863 -9.183 3.093
200 HG3 ARG 27 1HG ARG 27 3.354 -8.628 3.851
201 HD2 ARG 27 2HD ARG 27 1.110 -10.080 5.246
202 HD3 ARG 27 1HD ARG 27 2.625 -10.806 4.709
203 HE ARG 27 HE ARG 27 2.570 -8.607 6.669
204 HH11 ARG 27 1HH1 ARG 27 3.637 -11.882 5.765
205 HH12 ARG 27 2HH1 ARG 27 4.621 -12.058 7.140
206 HH21 ARG 27 1HH2 ARG 27 3.910 -8.912 8.549
207 HH22 ARG 27 2HH2 ARG 27 4.784 -10.357 8.745
208 H TRP 28 H TRP 28 2.651 -3.955 3.562
209 HA TRP 28 HA TRP 28 -0.039 -2.900 3.687
210 HB2 TRP 28 HB3 TRP 28 0.511 -1.269 5.424
211 HB3 TRP 28 HB2 TRP 28 0.741 -2.884 6.043
212 HD1 TRP 28 HD TRP 28 2.980 -0.048 4.578
213 HE1 TRP 28 1HE TRP 28 5.160 0.029 5.956
214 HE3 TRP 28 3HE TRP 28 2.098 -3.973 7.718
215 HZ2 TRP 28 2HZ TRP 28 6.329 -1.370 8.097
216 HZ3 TRP 28 3HZ TRP 28 3.797 -4.525 9.417
217 HH2 TRP 28 HH TRP 28 5.861 -3.250 9.594
218 H CYS 29 H CYS 29 -0.124 -0.601 3.065
219 HA CYS 29 HA CYS 29 1.462 -0.193 0.791
220 HB2 CYS 29 HB3 CYS 29 -0.648 1.341 2.227
221 HB3 CYS 29 HB2 CYS 29 0.112 1.909 0.745
222 H LYS 30 H LYS 30 3.059 1.256 0.489
223 HA LYS 30 HA LYS 30 3.686 3.134 2.621
224 HB2 LYS 30 HB3 LYS 30 5.834 1.696 1.083
225 HB3 LYS 30 HB2 LYS 30 5.969 2.733 2.455
226 HG2 LYS 30 2HG LYS 30 5.024 1.109 3.938
227 HG3 LYS 30 1HG LYS 30 4.678 0.029 2.589
228 HD2 LYS 30 2HD LYS 30 7.410 0.884 3.544
229 HD3 LYS 30 1HD LYS 30 6.672 -0.697 3.782
230 HE2 LYS 30 2HE LYS 30 6.578 -0.957 1.305
231 HE3 LYS 30 1HE LYS 30 7.471 0.553 1.154
232 HZ1 LYS 30 1HZ LYS 30 9.300 -0.468 2.391
233 HZ2 LYS 30 2HZ LYS 30 8.909 -1.318 0.988
234 HZ3 LYS 30 3HZ LYS 30 8.397 -1.915 2.478
235 H TYR 31 H TYR 31 5.461 4.667 1.602
236 HA TYR 31 HA TYR 31 4.200 5.721 -0.767
237 HB2 TYR 31 HB3 TYR 31 4.983 7.140 1.187
238 HB3 TYR 31 HB2 TYR 31 6.634 6.751 0.715
239 HD1 TYR 31 1HD TYR 31 3.545 8.441 -0.337
240 HD2 TYR 31 2HD TYR 31 7.687 7.900 -1.098
241 HE1 TYR 31 1HE TYR 31 3.482 10.310 -1.897
242 HE2 TYR 31 2HE TYR 31 7.645 9.778 -2.669
243 HH TYR 31 HH TYR 31 6.025 10.932 -4.053
244 H ASP 32 H ASP 32 4.854 5.163 -2.727
245 HA ASP 32 HA ASP 32 7.545 3.977 -2.984
246 HB2 ASP 32 HB3 ASP 32 5.722 2.340 -3.373
247 HB3 ASP 32 HB2 ASP 32 5.120 3.349 -4.680
248 H LEU 33 H LEU 33 5.150 5.840 -4.639
249 HA LEU 33 HA LEU 33 7.004 6.541 -6.769
250 HB2 LEU 33 HB3 LEU 33 4.225 7.594 -6.308
251 HB3 LEU 33 HB2 LEU 33 5.168 7.756 -7.760
252 HG LEU 33 HG LEU 33 4.059 5.150 -6.706
253 HD11 LEU 33 HD11 LEU 33 3.253 6.833 -9.065
254 HD12 LEU 33 HD12 LEU 33 2.329 6.638 -7.576
255 HD13 LEU 33 HD13 LEU 33 2.585 5.260 -8.641
256 HD21 LEU 33 HD21 LEU 33 5.555 5.773 -9.256
257 HD22 LEU 33 HD22 LEU 33 4.782 4.237 -8.870
258 HD23 LEU 33 HD23 LEU 33 6.146 4.798 -7.907
259 HN1 NH2 34 HN1 NH2 34 8.550 7.711 -5.652
260 HN2 NH2 34 HN2 NH2 34 8.264 9.314 -5.070
Start of MODEL 4
1 H1 ASP 1 1HT ASP 1 -13.339 8.393 -1.658
2 H2 ASP 1 2HT ASP 1 -13.316 6.700 -1.514
3 H3 ASP 1 3HT ASP 1 -12.290 7.451 -2.581
4 HA ASP 1 HA ASP 1 -11.060 8.445 -0.868
5 HB2 ASP 1 HB3 ASP 1 -13.132 7.212 0.920
6 HB3 ASP 1 HB2 ASP 1 -11.512 7.521 1.517
7 H CYS 2 H CYS 2 -9.555 7.201 0.655
8 HA CYS 2 HA CYS 2 -9.248 4.415 -0.173
9 HB2 CYS 2 HB3 CYS 2 -6.971 4.846 -0.823
10 HB3 CYS 2 HB2 CYS 2 -8.044 5.776 -1.861
11 H LEU 3 H LEU 3 -6.869 4.004 0.795
12 HA LEU 3 HA LEU 3 -7.048 4.497 3.650
13 HB2 LEU 3 HB3 LEU 3 -5.189 2.823 2.053
14 HB3 LEU 3 HB2 LEU 3 -5.536 2.704 3.767
15 HG LEU 3 HG LEU 3 -7.378 2.056 1.512
16 HD11 LEU 3 HD11 LEU 3 -7.072 -0.307 2.323
17 HD12 LEU 3 HD12 LEU 3 -5.854 0.282 3.460
18 HD13 LEU 3 HD13 LEU 3 -5.593 0.426 1.720
19 HD21 LEU 3 HD21 LEU 3 -8.850 1.074 3.254
20 HD22 LEU 3 HD22 LEU 3 -8.649 2.817 3.420
21 HD23 LEU 3 HD23 LEU 3 -7.771 1.722 4.494
22 H GLY 4 H GLY 4 -5.091 5.207 4.726
23 HA2 GLY 4 2HA GLY 4 -3.224 6.735 3.124
24 HA3 GLY 4 1HA GLY 4 -3.231 6.571 4.890
25 H TRP 5 H TRP 5 -0.717 6.091 3.954
26 HA TRP 5 HA TRP 5 -0.754 3.413 3.257
27 HB2 TRP 5 HB3 TRP 5 1.348 3.665 2.591
28 HB3 TRP 5 HB2 TRP 5 0.774 5.275 2.391
29 HD1 TRP 5 HD TRP 5 3.301 3.240 4.336
30 HE1 TRP 5 1HE TRP 5 4.989 4.772 5.384
31 HE3 TRP 5 3HE TRP 5 0.928 7.632 3.459
32 HZ2 TRP 5 2HZ TRP 5 5.290 7.589 5.859
33 HZ3 TRP 5 3HZ TRP 5 1.957 9.720 4.247
34 HH2 TRP 5 HH TRP 5 4.103 9.699 5.427
35 H PHE 6 H PHE 6 1.099 2.190 4.430
36 HA PHE 6 HA PHE 6 1.693 0.894 6.158
37 HB2 PHE 6 HB3 PHE 6 1.903 3.265 7.364
38 HB3 PHE 6 HB2 PHE 6 0.475 2.726 8.230
39 HD1 PHE 6 1HD PHE 6 4.023 2.529 7.934
40 HD2 PHE 6 2HD PHE 6 0.643 0.582 9.607
41 HE1 PHE 6 1HE PHE 6 5.499 1.296 9.476
42 HE2 PHE 6 2HE PHE 6 2.108 -0.651 11.154
43 HZ PHE 6 HZ PHE 6 4.546 -0.289 11.080
44 H LYS 7 H LYS 7 -1.325 1.452 5.134
45 HA LYS 7 HA LYS 7 -2.663 -0.234 7.030
46 HB2 LYS 7 HB3 LYS 7 -3.717 1.041 4.536
47 HB3 LYS 7 HB2 LYS 7 -4.614 0.433 5.906
48 HG2 LYS 7 2HG LYS 7 -2.756 2.760 6.080
49 HG3 LYS 7 1HG LYS 7 -4.477 2.919 5.786
50 HD2 LYS 7 2HD LYS 7 -4.897 1.775 7.945
51 HD3 LYS 7 1HD LYS 7 -3.149 1.668 8.190
52 HE2 LYS 7 2HE LYS 7 -4.663 4.221 7.802
53 HE3 LYS 7 1HE LYS 7 -4.237 3.564 9.383
54 HZ1 LYS 7 1HZ LYS 7 -2.188 4.254 7.305
55 HZ2 LYS 7 2HZ LYS 7 -1.930 3.906 8.932
56 HZ3 LYS 7 3HZ LYS 7 -2.722 5.311 8.485
57 H SER 8 H SER 8 -3.501 -2.101 6.375
58 HA SER 8 HA SER 8 -2.078 -3.752 4.671
59 HB2 SER 8 HB3 SER 8 -4.809 -4.071 5.899
60 HB3 SER 8 HB2 SER 8 -3.784 -5.357 5.266
61 HG SER 8 HG SER 8 -2.781 -5.386 7.031
62 H CYS 9 H CYS 9 -2.665 -4.676 2.678
63 HA CYS 9 HA CYS 9 -4.974 -3.682 1.325
64 HB2 CYS 9 HB3 CYS 9 -3.470 -3.143 -0.617
65 HB3 CYS 9 HB2 CYS 9 -3.460 -1.994 0.711
66 H ASP 10 H ASP 10 -4.690 -4.619 -1.049
67 HA ASP 10 HA ASP 10 -3.722 -7.386 -0.843
68 HB2 ASP 10 HB3 ASP 10 -6.223 -7.210 -1.128
69 HB3 ASP 10 HB2 ASP 10 -5.951 -6.322 -2.623
70 HA PRO 11 HA PRO 11 -0.823 -5.784 -3.708
71 HB2 PRO 11 HB3 PRO 11 -0.057 -8.117 -4.938
72 HB3 PRO 11 HB2 PRO 11 0.548 -7.579 -3.366
73 HG2 PRO 11 2HG PRO 11 -1.613 -9.538 -4.006
74 HG3 PRO 11 1HG PRO 11 -0.357 -9.628 -2.759
75 HD2 PRO 11 2HD PRO 11 -2.885 -8.941 -2.179
76 HD3 PRO 11 1HD PRO 11 -1.504 -8.210 -1.330
77 H LYS 12 H LYS 12 -3.448 -7.823 -4.936
78 HA LYS 12 HA LYS 12 -2.927 -7.012 -7.621
79 HB2 LYS 12 HB3 LYS 12 -3.671 -9.291 -6.803
80 HB3 LYS 12 HB2 LYS 12 -5.239 -8.562 -6.517
81 HG2 LYS 12 2HG LYS 12 -5.262 -9.677 -8.621
82 HG3 LYS 12 1HG LYS 12 -5.338 -7.928 -8.899
83 HD2 LYS 12 2HD LYS 12 -2.925 -7.933 -9.245
84 HD3 LYS 12 1HD LYS 12 -2.914 -9.673 -9.035
85 HE2 LYS 12 2HE LYS 12 -4.381 -8.153 -11.210
86 HE3 LYS 12 1HE LYS 12 -2.917 -9.101 -11.427
87 HZ1 LYS 12 1HZ LYS 12 -5.568 -10.181 -10.609
88 HZ2 LYS 12 2HZ LYS 12 -4.160 -11.094 -10.819
89 HZ3 LYS 12 3HZ LYS 12 -4.858 -10.330 -12.127
90 H ASN 13 H ASN 13 -4.718 -6.019 -4.915
91 HA ASN 13 HA ASN 13 -6.226 -4.123 -6.517
92 HB2 ASN 13 HB3 ASN 13 -7.762 -5.983 -6.046
93 HB3 ASN 13 HB2 ASN 13 -7.442 -5.806 -4.329
94 HD21 ASN 13 HD21 ASN 13 -8.283 -4.038 -3.229
95 HD22 ASN 13 HD22 ASN 13 -9.570 -3.069 -3.852
96 H ASP 14 H ASP 14 -4.780 -2.727 -5.865
97 HA ASP 14 HA ASP 14 -4.067 -2.082 -3.208
98 HB2 ASP 14 HB3 ASP 14 -2.949 -1.357 -5.331
99 HB3 ASP 14 HB2 ASP 14 -4.274 -0.179 -5.496
100 H LYS 15 H LYS 15 -4.977 -0.763 -1.840
101 HA LYS 15 HA LYS 15 -7.756 0.089 -2.359
102 HB2 LYS 15 HB3 LYS 15 -6.462 -0.924 0.159
103 HB3 LYS 15 HB2 LYS 15 -8.086 -0.270 0.062
104 HG2 LYS 15 2HG LYS 15 -8.797 -2.112 -1.319
105 HG3 LYS 15 1HG LYS 15 -7.140 -2.700 -1.452
106 HD2 LYS 15 2HD LYS 15 -8.421 -4.021 0.168
107 HD3 LYS 15 1HD LYS 15 -7.100 -3.162 0.949
108 HE2 LYS 15 2HE LYS 15 -9.085 -3.029 2.331
109 HE3 LYS 15 1HE LYS 15 -8.702 -1.435 1.708
110 HZ1 LYS 15 1HZ LYS 15 -11.054 -1.889 1.592
111 HZ2 LYS 15 2HZ LYS 15 -10.824 -3.246 0.672
112 HZ3 LYS 15 3HZ LYS 15 -10.463 -1.725 0.033
113 H CYS 16 H CYS 16 -4.778 1.294 -2.111
114 HA CYS 16 HA CYS 16 -5.439 3.433 -0.267
115 HB2 CYS 16 HB3 CYS 16 -2.781 2.454 -1.340
116 HB3 CYS 16 HB2 CYS 16 -3.012 3.710 -0.123
117 H CYS 17 H CYS 17 -4.410 5.579 -1.052
118 HA CYS 17 HA CYS 17 -5.248 5.991 -3.660
119 HB2 CYS 17 HB3 CYS 17 -4.076 7.693 -1.519
120 HB3 CYS 17 HB2 CYS 17 -4.177 8.326 -3.148
121 H LYS 18 H LYS 18 -3.521 7.527 -4.958
122 HA LYS 18 HA LYS 18 -1.366 5.701 -5.540
123 HB2 LYS 18 HB3 LYS 18 -2.904 6.832 -7.272
124 HB3 LYS 18 HB2 LYS 18 -1.995 8.292 -6.955
125 HG2 LYS 18 2HG LYS 18 -1.232 7.139 -8.979
126 HG3 LYS 18 1HG LYS 18 0.048 7.253 -7.781
127 HD2 LYS 18 2HD LYS 18 0.037 5.048 -8.844
128 HD3 LYS 18 1HD LYS 18 -0.368 4.892 -7.141
129 HE2 LYS 18 2HE LYS 18 -2.754 4.739 -7.744
130 HE3 LYS 18 1HE LYS 18 -2.332 4.898 -9.443
131 HZ1 LYS 18 1HZ LYS 18 -1.118 2.813 -9.310
132 HZ2 LYS 18 2HZ LYS 18 -2.713 2.606 -8.794
133 HZ3 LYS 18 3HZ LYS 18 -1.471 2.679 -7.661
134 H ASN 19 H ASN 19 0.661 6.921 -6.201
135 HA ASN 19 HA ASN 19 2.642 7.786 -5.517
136 HB2 ASN 19 HB3 ASN 19 1.049 9.289 -3.401
137 HB3 ASN 19 HB2 ASN 19 2.800 9.393 -3.576
138 HD21 ASN 19 HD21 ASN 19 -0.268 10.257 -4.944
139 HD22 ASN 19 HD22 ASN 19 0.330 11.444 -6.046
140 H TYR 20 H TYR 20 0.481 6.704 -3.151
141 HA TYR 20 HA TYR 20 2.474 5.168 -1.727
142 HB2 TYR 20 HB3 TYR 20 -0.514 5.019 -1.409
143 HB3 TYR 20 HB2 TYR 20 0.745 4.698 -0.233
144 HD1 TYR 20 1HD TYR 20 -1.514 7.129 -1.535
145 HD2 TYR 20 2HD TYR 20 2.062 6.691 0.711
146 HE1 TYR 20 1HE TYR 20 -1.791 9.397 -0.690
147 HE2 TYR 20 2HE TYR 20 1.799 8.972 1.573
148 HH TYR 20 HH TYR 20 0.699 11.020 1.040
149 H THR 21 H THR 21 2.419 2.889 -1.929
150 HA THR 21 HA THR 21 0.463 1.770 -3.712
151 HB THR 21 HB THR 21 2.254 2.364 -5.105
152 HG1 THR 21 1HG THR 21 2.551 0.395 -6.114
153 HG21 THR 21 1HG2 THR 21 4.042 0.625 -3.401
154 HG22 THR 21 2HG2 THR 21 4.146 2.374 -3.598
155 HG23 THR 21 3HG2 THR 21 4.516 1.311 -4.956
156 H CYS 22 H CYS 22 0.117 -0.243 -3.442
157 HA CYS 22 HA CYS 22 0.528 -1.331 -0.854
158 HB2 CYS 22 HB3 CYS 22 -1.494 -1.789 -2.108
159 HB3 CYS 22 HB2 CYS 22 -0.551 -2.710 -3.302
160 H SER 23 H SER 23 1.906 -2.687 -0.151
161 HA SER 23 HA SER 23 3.811 -3.904 -2.006
162 HB2 SER 23 HB3 SER 23 4.832 -2.188 -0.563
163 HB3 SER 23 HB2 SER 23 4.205 -2.996 0.861
164 HG SER 23 HG SER 23 6.394 -3.540 0.470
165 H ARG 24 H ARG 24 4.029 -6.090 -1.839
166 HA ARG 24 HA ARG 24 2.271 -7.488 0.013
167 HB2 ARG 24 HB3 ARG 24 2.737 -8.083 -2.512
168 HB3 ARG 24 HB2 ARG 24 4.224 -8.771 -1.899
169 HG2 ARG 24 2HG ARG 24 1.431 -9.654 -1.144
170 HG3 ARG 24 1HG ARG 24 2.491 -10.463 -2.283
171 HD2 ARG 24 2HD ARG 24 2.941 -10.132 0.686
172 HD3 ARG 24 1HD ARG 24 2.469 -11.616 -0.131
173 HE ARG 24 HE ARG 24 4.806 -10.931 -1.323
174 HH11 ARG 24 1HH1 ARG 24 3.831 -11.475 2.069
175 HH12 ARG 24 2HH1 ARG 24 5.350 -11.980 2.594
176 HH21 ARG 24 1HH2 ARG 24 6.984 -11.639 -0.541
177 HH22 ARG 24 2HH2 ARG 24 7.168 -12.075 1.093
178 H ARG 25 H ARG 25 5.536 -6.801 -0.683
179 HA ARG 25 HA ARG 25 6.992 -8.504 0.968
180 HB2 ARG 25 HB3 ARG 25 7.917 -7.077 -0.809
181 HB3 ARG 25 HB2 ARG 25 7.540 -5.658 0.146
182 HG2 ARG 25 2HG ARG 25 9.019 -6.508 1.909
183 HG3 ARG 25 1HG ARG 25 9.499 -7.810 0.813
184 HD2 ARG 25 2HD ARG 25 10.311 -6.150 -0.799
185 HD3 ARG 25 1HD ARG 25 9.819 -4.852 0.288
186 HE ARG 25 HE ARG 25 11.737 -6.849 1.212
187 HH11 ARG 25 1HH1 ARG 25 11.128 -3.476 0.320
188 HH12 ARG 25 2HH1 ARG 25 12.569 -2.892 0.977
189 HH21 ARG 25 1HH2 ARG 25 13.703 -6.049 2.105
190 HH22 ARG 25 2HH2 ARG 25 14.079 -4.387 2.006
191 H ASP 26 H ASP 26 5.828 -5.237 1.490
192 HA ASP 26 HA ASP 26 6.590 -5.286 4.287
193 HB2 ASP 26 HB3 ASP 26 5.171 -3.130 2.712
194 HB3 ASP 26 HB2 ASP 26 5.783 -2.970 4.350
195 H ARG 27 H ARG 27 3.883 -6.018 2.371
196 HA ARG 27 HA ARG 27 1.905 -6.883 2.785
197 HB2 ARG 27 HB3 ARG 27 2.546 -6.527 5.700
198 HB3 ARG 27 HB2 ARG 27 1.167 -7.377 5.002
199 HG2 ARG 27 2HG ARG 27 2.525 -9.094 4.138
200 HG3 ARG 27 1HG ARG 27 4.002 -8.166 4.428
201 HD2 ARG 27 2HD ARG 27 3.721 -9.906 6.126
202 HD3 ARG 27 1HD ARG 27 3.628 -8.288 6.808
203 HE ARG 27 HE ARG 27 1.091 -9.392 6.106
204 HH11 ARG 27 1HH1 ARG 27 3.539 -9.161 8.645
205 HH12 ARG 27 2HH1 ARG 27 2.449 -9.459 9.932
206 HH21 ARG 27 1HH2 ARG 27 -0.408 -9.772 7.842
207 HH22 ARG 27 2HH2 ARG 27 0.134 -9.808 9.456
208 H TRP 28 H TRP 28 2.639 -3.846 3.040
209 HA TRP 28 HA TRP 28 -0.111 -3.024 3.175
210 HB2 TRP 28 HB3 TRP 28 0.348 -1.211 4.832
211 HB3 TRP 28 HB2 TRP 28 0.347 -2.824 5.509
212 HD1 TRP 28 HD TRP 28 2.928 -0.153 4.385
213 HE1 TRP 28 1HE TRP 28 4.964 -0.322 6.006
214 HE3 TRP 28 3HE TRP 28 1.468 -4.172 7.117
215 HZ2 TRP 28 2HZ TRP 28 5.799 -1.959 8.130
216 HZ3 TRP 28 3HZ TRP 28 2.914 -4.987 8.920
217 HH2 TRP 28 HH TRP 28 5.046 -3.902 9.413
218 H CYS 29 H CYS 29 -0.285 -0.620 2.776
219 HA CYS 29 HA CYS 29 1.137 -0.023 0.433
220 HB2 CYS 29 HB3 CYS 29 -0.782 1.386 2.202
221 HB3 CYS 29 HB2 CYS 29 -0.182 2.097 0.702
222 H LYS 30 H LYS 30 2.824 1.362 0.208
223 HA LYS 30 HA LYS 30 3.533 3.150 2.406
224 HB2 LYS 30 HB3 LYS 30 5.462 1.332 0.975
225 HB3 LYS 30 HB2 LYS 30 5.896 2.665 2.008
226 HG2 LYS 30 2HG LYS 30 5.031 1.578 3.935
227 HG3 LYS 30 1HG LYS 30 4.248 0.351 2.937
228 HD2 LYS 30 2HD LYS 30 6.225 -0.568 3.935
229 HD3 LYS 30 1HD LYS 30 6.439 -0.432 2.198
230 HE2 LYS 30 2HE LYS 30 7.666 1.733 2.649
231 HE3 LYS 30 1HE LYS 30 7.615 1.299 4.358
232 HZ1 LYS 30 1HZ LYS 30 9.672 0.511 3.508
233 HZ2 LYS 30 2HZ LYS 30 8.917 -0.106 2.152
234 HZ3 LYS 30 3HZ LYS 30 8.679 -0.881 3.619
235 H TYR 31 H TYR 31 5.210 4.751 1.613
236 HA TYR 31 HA TYR 31 4.260 5.752 -0.933
237 HB2 TYR 31 HB3 TYR 31 4.498 7.237 1.068
238 HB3 TYR 31 HB2 TYR 31 6.229 6.938 1.043
239 HD1 TYR 31 1HD TYR 31 7.632 7.927 -0.739
240 HD2 TYR 31 2HD TYR 31 3.461 8.737 -0.496
241 HE1 TYR 31 1HE TYR 31 7.923 9.843 -2.237
242 HE2 TYR 31 2HE TYR 31 3.742 10.649 -1.996
243 HH TYR 31 HH TYR 31 6.478 11.173 -3.836
244 H ASP 32 H ASP 32 5.245 5.020 -2.661
245 HA ASP 32 HA ASP 32 8.175 4.820 -2.637
246 HB2 ASP 32 HB3 ASP 32 7.328 2.555 -2.317
247 HB3 ASP 32 HB2 ASP 32 6.344 2.705 -3.761
248 H LEU 33 H LEU 33 5.292 5.533 -4.290
249 HA LEU 33 HA LEU 33 6.659 5.781 -6.818
250 HB2 LEU 33 HB3 LEU 33 3.781 6.280 -6.078
251 HB3 LEU 33 HB2 LEU 33 4.433 6.274 -7.707
252 HG LEU 33 HG LEU 33 4.296 3.887 -5.865
253 HD11 LEU 33 HD11 LEU 33 2.559 3.091 -7.384
254 HD12 LEU 33 HD12 LEU 33 2.630 4.622 -8.260
255 HD13 LEU 33 HD13 LEU 33 2.095 4.590 -6.581
256 HD21 LEU 33 HD21 LEU 33 5.106 4.106 -8.768
257 HD22 LEU 33 HD22 LEU 33 4.890 2.601 -7.877
258 HD23 LEU 33 HD23 LEU 33 6.171 3.720 -7.415
259 HN1 NH2 34 HN1 NH2 34 8.027 7.451 -6.204
260 HN2 NH2 34 HN2 NH2 34 7.493 9.085 -6.007
Start of MODEL 5
1 H1 ASP 1 1HT ASP 1 -14.368 5.698 0.687
2 H2 ASP 1 2HT ASP 1 -13.259 4.578 1.368
3 H3 ASP 1 3HT ASP 1 -13.699 4.443 -0.215
4 HA ASP 1 HA ASP 1 -12.551 6.376 -0.867
5 HB2 ASP 1 HB3 ASP 1 -11.847 6.586 2.081
6 HB3 ASP 1 HB2 ASP 1 -11.131 7.559 0.805
7 H CYS 2 H CYS 2 -9.923 6.522 -0.455
8 HA CYS 2 HA CYS 2 -9.183 3.747 -0.163
9 HB2 CYS 2 HB3 CYS 2 -7.079 4.423 -1.237
10 HB3 CYS 2 HB2 CYS 2 -8.486 4.377 -2.280
11 H LEU 3 H LEU 3 -6.945 3.464 0.598
12 HA LEU 3 HA LEU 3 -6.884 4.526 3.277
13 HB2 LEU 3 HB3 LEU 3 -5.051 2.548 2.019
14 HB3 LEU 3 HB2 LEU 3 -5.517 2.721 3.696
15 HG LEU 3 HG LEU 3 -7.370 1.897 1.517
16 HD11 LEU 3 HD11 LEU 3 -7.110 -0.413 2.459
17 HD12 LEU 3 HD12 LEU 3 -5.833 0.195 3.520
18 HD13 LEU 3 HD13 LEU 3 -5.619 0.216 1.770
19 HD21 LEU 3 HD21 LEU 3 -7.628 1.782 4.530
20 HD22 LEU 3 HD22 LEU 3 -8.795 1.110 3.395
21 HD23 LEU 3 HD23 LEU 3 -8.511 2.848 3.436
22 H GLY 4 H GLY 4 -5.002 5.395 4.195
23 HA2 GLY 4 2HA GLY 4 -3.059 6.617 2.451
24 HA3 GLY 4 1HA GLY 4 -3.147 6.747 4.222
25 H TRP 5 H TRP 5 -0.624 6.100 3.315
26 HA TRP 5 HA TRP 5 -0.680 3.352 3.045
27 HB2 TRP 5 HB3 TRP 5 1.358 3.501 2.195
28 HB3 TRP 5 HB2 TRP 5 0.716 5.038 1.763
29 HD1 TRP 5 HD TRP 5 3.441 3.420 3.818
30 HE1 TRP 5 1HE TRP 5 5.188 5.091 4.388
31 HE3 TRP 5 3HE TRP 5 0.895 7.585 2.386
32 HZ2 TRP 5 2HZ TRP 5 5.460 7.984 4.336
33 HZ3 TRP 5 3HZ TRP 5 1.963 9.789 2.699
34 HH2 TRP 5 HH TRP 5 4.199 9.975 3.655
35 H PHE 6 H PHE 6 1.362 2.384 4.194
36 HA PHE 6 HA PHE 6 2.175 1.368 5.957
37 HB2 PHE 6 HB3 PHE 6 2.551 3.779 6.823
38 HB3 PHE 6 HB2 PHE 6 1.140 3.503 7.840
39 HD1 PHE 6 1HD PHE 6 1.457 2.552 9.967
40 HD2 PHE 6 2HD PHE 6 4.375 1.971 6.943
41 HE1 PHE 6 1HE PHE 6 2.892 1.364 11.579
42 HE2 PHE 6 2HE PHE 6 5.808 0.795 8.529
43 HZ PHE 6 HZ PHE 6 5.099 0.471 10.823
44 H LYS 7 H LYS 7 -0.963 1.721 5.338
45 HA LYS 7 HA LYS 7 -1.984 0.187 7.544
46 HB2 LYS 7 HB3 LYS 7 -3.344 0.975 4.987
47 HB3 LYS 7 HB2 LYS 7 -4.066 0.516 6.511
48 HG2 LYS 7 2HG LYS 7 -2.436 2.989 6.195
49 HG3 LYS 7 1HG LYS 7 -4.180 2.949 5.982
50 HD2 LYS 7 2HD LYS 7 -4.451 2.187 8.276
51 HD3 LYS 7 1HD LYS 7 -2.698 2.109 8.473
52 HE2 LYS 7 2HE LYS 7 -4.234 4.586 7.791
53 HE3 LYS 7 1HE LYS 7 -3.729 4.156 9.426
54 HZ1 LYS 7 1HZ LYS 7 -1.438 4.239 8.712
55 HZ2 LYS 7 2HZ LYS 7 -2.181 5.697 8.389
56 HZ3 LYS 7 3HZ LYS 7 -1.866 4.632 7.128
57 H SER 8 H SER 8 -2.644 -1.825 7.220
58 HA SER 8 HA SER 8 -1.255 -3.502 5.466
59 HB2 SER 8 HB3 SER 8 -3.698 -4.006 7.162
60 HB3 SER 8 HB2 SER 8 -2.615 -5.217 6.484
61 HG SER 8 HG SER 8 -2.163 -3.381 8.559
62 H CYS 9 H CYS 9 -1.895 -4.319 3.487
63 HA CYS 9 HA CYS 9 -4.599 -4.023 2.687
64 HB2 CYS 9 HB3 CYS 9 -3.763 -3.053 0.499
65 HB3 CYS 9 HB2 CYS 9 -3.833 -1.948 1.867
66 H ASP 10 H ASP 10 -4.564 -4.792 0.285
67 HA ASP 10 HA ASP 10 -2.916 -7.195 0.026
68 HB2 ASP 10 HB3 ASP 10 -5.283 -7.736 0.586
69 HB3 ASP 10 HB2 ASP 10 -5.805 -6.766 -0.781
70 HA PRO 11 HA PRO 11 -1.913 -4.517 -3.390
71 HB2 PRO 11 HB3 PRO 11 0.013 -6.103 -4.499
72 HB3 PRO 11 HB2 PRO 11 0.297 -5.047 -3.111
73 HG2 PRO 11 2HG PRO 11 -0.203 -7.980 -3.192
74 HG3 PRO 11 1HG PRO 11 0.903 -7.041 -2.168
75 HD2 PRO 11 2HD PRO 11 -1.487 -7.984 -1.302
76 HD3 PRO 11 1HD PRO 11 -0.735 -6.503 -0.669
77 H LYS 12 H LYS 12 -2.943 -7.812 -3.630
78 HA LYS 12 HA LYS 12 -3.114 -7.794 -6.421
79 HB2 LYS 12 HB3 LYS 12 -2.851 -9.811 -4.884
80 HB3 LYS 12 HB2 LYS 12 -4.567 -9.652 -4.545
81 HG2 LYS 12 2HG LYS 12 -4.129 -11.338 -6.253
82 HG3 LYS 12 1HG LYS 12 -5.067 -9.985 -6.905
83 HD2 LYS 12 2HD LYS 12 -3.061 -8.996 -7.808
84 HD3 LYS 12 1HD LYS 12 -2.092 -10.292 -7.123
85 HE2 LYS 12 2HE LYS 12 -3.214 -11.893 -8.574
86 HE3 LYS 12 1HE LYS 12 -4.264 -10.617 -9.194
87 HZ1 LYS 12 1HZ LYS 12 -2.421 -11.067 -10.705
88 HZ2 LYS 12 2HZ LYS 12 -1.311 -10.682 -9.487
89 HZ3 LYS 12 3HZ LYS 12 -2.317 -9.504 -10.092
90 H ASN 13 H ASN 13 -5.187 -6.904 -3.795
91 HA ASN 13 HA ASN 13 -6.987 -5.680 -5.743
92 HB2 ASN 13 HB3 ASN 13 -8.149 -7.683 -4.796
93 HB3 ASN 13 HB2 ASN 13 -7.936 -7.005 -3.187
94 HD21 ASN 13 HD21 ASN 13 -10.112 -6.820 -2.766
95 HD22 ASN 13 HD22 ASN 13 -11.146 -5.692 -3.568
96 H ASP 14 H ASP 14 -5.644 -3.982 -5.373
97 HA ASP 14 HA ASP 14 -4.931 -2.863 -2.943
98 HB2 ASP 14 HB3 ASP 14 -3.639 -2.262 -4.731
99 HB3 ASP 14 HB2 ASP 14 -5.047 -1.851 -5.722
100 H LYS 15 H LYS 15 -5.617 -1.312 -1.740
101 HA LYS 15 HA LYS 15 -8.189 -0.062 -2.283
102 HB2 LYS 15 HB3 LYS 15 -7.261 -1.349 0.263
103 HB3 LYS 15 HB2 LYS 15 -8.608 -0.237 0.171
104 HG2 LYS 15 2HG LYS 15 -8.438 -2.840 -1.344
105 HG3 LYS 15 1HG LYS 15 -9.250 -2.654 0.210
106 HD2 LYS 15 2HD LYS 15 -10.752 -0.984 -0.822
107 HD3 LYS 15 1HD LYS 15 -9.955 -1.252 -2.375
108 HE2 LYS 15 2HE LYS 15 -10.634 -3.590 -2.331
109 HE3 LYS 15 1HE LYS 15 -11.392 -3.349 -0.759
110 HZ1 LYS 15 1HZ LYS 15 -13.000 -3.302 -2.548
111 HZ2 LYS 15 2HZ LYS 15 -12.210 -2.015 -3.284
112 HZ3 LYS 15 3HZ LYS 15 -12.944 -1.799 -1.789
113 H CYS 16 H CYS 16 -4.927 0.560 -1.883
114 HA CYS 16 HA CYS 16 -5.531 2.836 -0.205
115 HB2 CYS 16 HB3 CYS 16 -3.091 3.159 0.116
116 HB3 CYS 16 HB2 CYS 16 -3.605 1.572 0.647
117 H CYS 17 H CYS 17 -4.440 4.961 -0.918
118 HA CYS 17 HA CYS 17 -5.513 5.469 -3.421
119 HB2 CYS 17 HB3 CYS 17 -3.707 7.153 -1.697
120 HB3 CYS 17 HB2 CYS 17 -4.762 7.705 -2.990
121 H LYS 18 H LYS 18 -4.249 6.627 -5.064
122 HA LYS 18 HA LYS 18 -2.139 4.989 -5.984
123 HB2 LYS 18 HB3 LYS 18 -3.895 6.001 -7.415
124 HB3 LYS 18 HB2 LYS 18 -3.199 7.578 -7.098
125 HG2 LYS 18 2HG LYS 18 -1.294 7.131 -8.368
126 HG3 LYS 18 1HG LYS 18 -1.543 5.384 -8.295
127 HD2 LYS 18 2HD LYS 18 -2.108 6.195 -10.490
128 HD3 LYS 18 1HD LYS 18 -3.525 5.612 -9.606
129 HE2 LYS 18 2HE LYS 18 -4.064 7.968 -9.013
130 HE3 LYS 18 1HE LYS 18 -2.727 8.497 -10.034
131 HZ1 LYS 18 1HZ LYS 18 -4.818 8.631 -11.219
132 HZ2 LYS 18 2HZ LYS 18 -5.132 7.007 -10.934
133 HZ3 LYS 18 3HZ LYS 18 -3.859 7.444 -11.923
134 H ASN 19 H ASN 19 -0.206 6.075 -6.805
135 HA ASN 19 HA ASN 19 1.810 7.127 -6.519
136 HB2 ASN 19 HB3 ASN 19 0.770 9.317 -6.276
137 HB3 ASN 19 HB2 ASN 19 0.257 8.947 -4.641
138 HD21 ASN 19 HD21 ASN 19 1.653 9.285 -2.987
139 HD22 ASN 19 HD22 ASN 19 3.198 10.033 -3.180
140 H TYR 20 H TYR 20 0.019 5.977 -3.932
141 HA TYR 20 HA TYR 20 2.391 4.994 -2.578
142 HB2 TYR 20 HB3 TYR 20 -0.498 4.568 -1.837
143 HB3 TYR 20 HB2 TYR 20 0.928 4.448 -0.831
144 HD1 TYR 20 1HD TYR 20 2.290 6.952 -1.014
145 HD2 TYR 20 2HD TYR 20 -1.881 6.209 -1.116
146 HE1 TYR 20 1HE TYR 20 1.873 9.225 -0.203
147 HE2 TYR 20 2HE TYR 20 -2.313 8.492 -0.307
148 HH TYR 20 HH TYR 20 -1.026 10.233 1.029
149 H THR 21 H THR 21 2.554 2.671 -2.489
150 HA THR 21 HA THR 21 0.648 1.262 -4.149
151 HB THR 21 HB THR 21 2.572 1.649 -5.501
152 HG1 THR 21 1HG THR 21 1.911 -0.201 -6.209
153 HG21 THR 21 1HG2 THR 21 4.784 0.613 -5.000
154 HG22 THR 21 2HG2 THR 21 4.172 0.162 -3.410
155 HG23 THR 21 3HG2 THR 21 4.337 1.864 -3.839
156 H CYS 22 H CYS 22 0.470 -0.860 -3.674
157 HA CYS 22 HA CYS 22 0.866 -1.291 -0.829
158 HB2 CYS 22 HB3 CYS 22 -1.396 -1.571 -1.660
159 HB3 CYS 22 HB2 CYS 22 -0.848 -2.893 -2.711
160 H SER 23 H SER 23 2.049 -2.762 0.031
161 HA SER 23 HA SER 23 3.891 -4.126 -1.769
162 HB2 SER 23 HB3 SER 23 4.933 -2.617 -0.185
163 HB3 SER 23 HB2 SER 23 4.097 -3.372 1.160
164 HG SER 23 HG SER 23 6.398 -3.965 0.642
165 H ARG 24 H ARG 24 4.248 -6.275 -1.639
166 HA ARG 24 HA ARG 24 2.372 -7.856 -0.026
167 HB2 ARG 24 HB3 ARG 24 2.530 -8.175 -2.580
168 HB3 ARG 24 HB2 ARG 24 4.121 -8.833 -2.287
169 HG2 ARG 24 2HG ARG 24 2.437 -10.595 -2.605
170 HG3 ARG 24 1HG ARG 24 3.176 -10.666 -1.003
171 HD2 ARG 24 2HD ARG 24 1.260 -9.869 0.055
172 HD3 ARG 24 1HD ARG 24 0.627 -9.148 -1.419
173 HE ARG 24 HE ARG 24 0.812 -11.998 -1.555
174 HH11 ARG 24 1HH1 ARG 24 -1.186 -9.466 -0.120
175 HH12 ARG 24 2HH1 ARG 24 -2.684 -10.152 -0.540
176 HH21 ARG 24 1HH2 ARG 24 -1.261 -13.064 -2.025
177 HH22 ARG 24 2HH2 ARG 24 -2.724 -12.288 -1.606
178 H ARG 25 H ARG 25 5.581 -6.887 -0.430
179 HA ARG 25 HA ARG 25 6.873 -9.048 0.931
180 HB2 ARG 25 HB3 ARG 25 7.966 -7.584 -0.760
181 HB3 ARG 25 HB2 ARG 25 7.809 -6.239 0.361
182 HG2 ARG 25 2HG ARG 25 9.067 -7.678 1.997
183 HG3 ARG 25 1HG ARG 25 9.482 -8.687 0.603
184 HD2 ARG 25 2HD ARG 25 11.269 -7.111 0.945
185 HD3 ARG 25 1HD ARG 25 10.380 -6.640 -0.508
186 HE ARG 25 HE ARG 25 9.224 -5.248 1.577
187 HH11 ARG 25 1HH1 ARG 25 12.393 -5.344 0.026
188 HH12 ARG 25 2HH1 ARG 25 12.810 -3.751 0.490
189 HH21 ARG 25 1HH2 ARG 25 9.782 -3.163 2.255
190 HH22 ARG 25 2HH2 ARG 25 11.283 -2.473 1.802
191 H ASP 26 H ASP 26 6.009 -5.704 1.584
192 HA ASP 26 HA ASP 26 6.692 -5.908 4.409
193 HB2 ASP 26 HB3 ASP 26 5.476 -3.587 2.869
194 HB3 ASP 26 HB2 ASP 26 6.132 -3.519 4.499
195 H ARG 27 H ARG 27 4.048 -6.096 2.266
196 HA ARG 27 HA ARG 27 1.991 -6.732 2.396
197 HB2 ARG 27 HB3 ARG 27 2.435 -7.193 5.332
198 HB3 ARG 27 HB2 ARG 27 1.057 -7.722 4.357
199 HG2 ARG 27 2HG ARG 27 2.561 -9.097 2.996
200 HG3 ARG 27 1HG ARG 27 3.908 -8.618 4.031
201 HD2 ARG 27 2HD ARG 27 1.450 -10.142 4.865
202 HD3 ARG 27 1HD ARG 27 3.078 -10.794 4.699
203 HE ARG 27 HE ARG 27 3.273 -8.721 6.475
204 HH11 ARG 27 1HH1 ARG 27 1.512 -11.792 6.340
205 HH12 ARG 27 2HH1 ARG 27 1.441 -11.971 8.032
206 HH21 ARG 27 1HH2 ARG 27 3.162 -8.982 8.799
207 HH22 ARG 27 2HH2 ARG 27 2.380 -10.352 9.446
208 H TRP 28 H TRP 28 2.992 -3.952 3.422
209 HA TRP 28 HA TRP 28 0.263 -3.062 3.687
210 HB2 TRP 28 HB3 TRP 28 0.922 -1.239 5.253
211 HB3 TRP 28 HB2 TRP 28 1.091 -2.836 5.942
212 HD1 TRP 28 HD TRP 28 3.324 -0.039 4.450
213 HE1 TRP 28 1HE TRP 28 5.585 -0.081 5.735
214 HE3 TRP 28 3HE TRP 28 2.559 -4.170 7.337
215 HZ2 TRP 28 2HZ TRP 28 6.859 -1.679 7.663
216 HZ3 TRP 28 3HZ TRP 28 4.346 -4.890 8.869
217 HH2 TRP 28 HH TRP 28 6.447 -3.668 9.018
218 H CYS 29 H CYS 29 0.093 -0.666 3.209
219 HA CYS 29 HA CYS 29 1.281 -0.365 0.648
220 HB2 CYS 29 HB3 CYS 29 -1.125 0.110 1.075
221 HB3 CYS 29 HB2 CYS 29 -0.642 1.445 2.114
222 H LYS 30 H LYS 30 2.682 1.203 0.016
223 HA LYS 30 HA LYS 30 3.724 3.043 2.016
224 HB2 LYS 30 HB3 LYS 30 5.379 1.076 0.465
225 HB3 LYS 30 HB2 LYS 30 6.025 2.502 1.234
226 HG2 LYS 30 2HG LYS 30 5.488 1.689 3.406
227 HG3 LYS 30 1HG LYS 30 4.495 0.398 2.733
228 HD2 LYS 30 2HD LYS 30 6.625 -0.432 3.559
229 HD3 LYS 30 1HD LYS 30 6.475 -0.679 1.818
230 HE2 LYS 30 2HE LYS 30 8.712 0.056 2.325
231 HE3 LYS 30 1HE LYS 30 7.865 1.350 1.485
232 HZ1 LYS 30 1HZ LYS 30 8.279 1.186 4.414
233 HZ2 LYS 30 2HZ LYS 30 7.539 2.465 3.624
234 HZ3 LYS 30 3HZ LYS 30 9.179 2.145 3.377
235 H TYR 31 H TYR 31 5.120 4.674 1.095
236 HA TYR 31 HA TYR 31 3.941 5.885 -1.188
237 HB2 TYR 31 HB3 TYR 31 5.090 6.929 0.922
238 HB3 TYR 31 HB2 TYR 31 6.588 6.626 0.061
239 HD1 TYR 31 1HD TYR 31 3.923 8.889 0.602
240 HD2 TYR 31 2HD TYR 31 6.798 7.734 -2.306
241 HE1 TYR 31 1HE TYR 31 3.648 11.047 -0.511
242 HE2 TYR 31 2HE TYR 31 6.523 9.900 -3.434
243 HH TYR 31 HH TYR 31 4.959 12.506 -2.011
244 H ASP 32 H ASP 32 4.501 5.505 -3.234
245 HA ASP 32 HA ASP 32 6.239 3.440 -3.958
246 HB2 ASP 32 HB3 ASP 32 4.407 4.112 -5.427
247 HB3 ASP 32 HB2 ASP 32 5.204 5.649 -5.740
248 H LEU 33 H LEU 33 6.799 6.839 -4.186
249 HA LEU 33 HA LEU 33 9.547 6.405 -4.968
250 HB2 LEU 33 HB3 LEU 33 8.199 8.407 -5.732
251 HB3 LEU 33 HB2 LEU 33 8.257 9.012 -4.093
252 HG LEU 33 HG LEU 33 9.815 10.140 -5.700
253 HD11 LEU 33 HD11 LEU 33 11.191 8.762 -3.407
254 HD12 LEU 33 HD12 LEU 33 10.303 10.284 -3.333
255 HD13 LEU 33 HD13 LEU 33 11.791 10.177 -4.273
256 HD21 LEU 33 HD21 LEU 33 11.230 7.482 -5.684
257 HD22 LEU 33 HD22 LEU 33 11.869 8.975 -6.359
258 HD23 LEU 33 HD23 LEU 33 10.427 8.238 -7.061
259 HN1 NH2 34 HN1 NH2 34 10.789 5.535 -3.516
260 HN2 NH2 34 HN2 NH2 34 10.887 5.945 -1.842
Start of MODEL 6
1 H1 ASP 1 1HT ASP 1 -13.278 7.425 -0.741
2 H2 ASP 1 2HT ASP 1 -13.695 8.972 -0.160
3 H3 ASP 1 3HT ASP 1 -13.187 7.751 0.902
4 HA ASP 1 HA ASP 1 -11.510 8.842 -1.251
5 HB2 ASP 1 HB3 ASP 1 -11.484 9.430 1.722
6 HB3 ASP 1 HB2 ASP 1 -10.188 9.857 0.617
7 H CYS 2 H CYS 2 -9.343 8.099 -1.098
8 HA CYS 2 HA CYS 2 -9.463 5.363 -0.252
9 HB2 CYS 2 HB3 CYS 2 -7.242 5.210 -1.358
10 HB3 CYS 2 HB2 CYS 2 -8.620 5.482 -2.409
11 H LEU 3 H LEU 3 -7.213 4.484 0.487
12 HA LEU 3 HA LEU 3 -7.096 5.500 3.152
13 HB2 LEU 3 HB3 LEU 3 -5.615 3.217 1.933
14 HB3 LEU 3 HB2 LEU 3 -5.988 3.513 3.614
15 HG LEU 3 HG LEU 3 -7.956 2.898 1.465
16 HD11 LEU 3 HD11 LEU 3 -6.610 0.940 2.058
17 HD12 LEU 3 HD12 LEU 3 -8.223 0.745 2.758
18 HD13 LEU 3 HD13 LEU 3 -6.874 1.243 3.773
19 HD21 LEU 3 HD21 LEU 3 -9.576 2.666 3.317
20 HD22 LEU 3 HD22 LEU 3 -8.956 4.308 3.153
21 HD23 LEU 3 HD23 LEU 3 -8.349 3.258 4.437
22 H GLY 4 H GLY 4 -5.221 5.993 4.251
23 HA2 GLY 4 2HA GLY 4 -3.035 7.054 2.727
24 HA3 GLY 4 1HA GLY 4 -3.252 7.097 4.484
25 H TRP 5 H TRP 5 -0.762 6.200 3.487
26 HA TRP 5 HA TRP 5 -1.050 3.460 3.233
27 HB2 TRP 5 HB3 TRP 5 1.124 3.452 2.593
28 HB3 TRP 5 HB2 TRP 5 0.441 4.878 1.884
29 HD1 TRP 5 HD TRP 5 3.132 3.672 4.162
30 HE1 TRP 5 1HE TRP 5 4.783 5.540 4.636
31 HE3 TRP 5 3HE TRP 5 0.419 7.497 2.296
32 HZ2 TRP 5 2HZ TRP 5 4.883 8.384 4.317
33 HZ3 TRP 5 3HZ TRP 5 1.333 9.796 2.420
34 HH2 TRP 5 HH TRP 5 3.528 10.219 3.416
35 H PHE 6 H PHE 6 1.033 2.399 4.398
36 HA PHE 6 HA PHE 6 1.656 1.253 6.124
37 HB2 PHE 6 HB3 PHE 6 0.809 3.650 7.700
38 HB3 PHE 6 HB2 PHE 6 1.191 2.138 8.520
39 HD1 PHE 6 1HD PHE 6 3.443 1.052 7.976
40 HD2 PHE 6 2HD PHE 6 2.523 5.113 7.139
41 HE1 PHE 6 1HE PHE 6 5.839 1.558 7.876
42 HE2 PHE 6 2HE PHE 6 4.910 5.631 7.031
43 HZ PHE 6 HZ PHE 6 6.585 3.854 7.398
44 H LYS 7 H LYS 7 -1.416 1.580 5.293
45 HA LYS 7 HA LYS 7 -2.526 -0.135 7.295
46 HB2 LYS 7 HB3 LYS 7 -3.620 0.682 4.629
47 HB3 LYS 7 HB2 LYS 7 -4.511 0.061 5.993
48 HG2 LYS 7 2HG LYS 7 -3.083 2.704 5.984
49 HG3 LYS 7 1HG LYS 7 -4.794 2.512 5.651
50 HD2 LYS 7 2HD LYS 7 -3.379 1.759 8.221
51 HD3 LYS 7 1HD LYS 7 -4.340 3.213 7.980
52 HE2 LYS 7 2HE LYS 7 -6.318 1.787 7.535
53 HE3 LYS 7 1HE LYS 7 -5.337 0.361 7.868
54 HZ1 LYS 7 1HZ LYS 7 -5.961 2.543 9.764
55 HZ2 LYS 7 2HZ LYS 7 -4.932 1.245 10.088
56 HZ3 LYS 7 3HZ LYS 7 -6.567 0.960 9.816
57 H SER 8 H SER 8 -3.043 -2.173 6.822
58 HA SER 8 HA SER 8 -1.377 -3.809 5.278
59 HB2 SER 8 HB3 SER 8 -4.151 -4.494 6.222
60 HB3 SER 8 HB2 SER 8 -2.716 -5.518 6.119
61 HG SER 8 HG SER 8 -1.980 -4.781 7.907
62 H CYS 9 H CYS 9 -1.693 -4.604 3.115
63 HA CYS 9 HA CYS 9 -4.173 -3.861 1.881
64 HB2 CYS 9 HB3 CYS 9 -2.892 -2.974 -0.024
65 HB3 CYS 9 HB2 CYS 9 -2.904 -1.972 1.419
66 H ASP 10 H ASP 10 -4.246 -4.574 -0.316
67 HA ASP 10 HA ASP 10 -2.748 -7.067 -0.893
68 HB2 ASP 10 HB3 ASP 10 -5.169 -7.485 -0.695
69 HB3 ASP 10 HB2 ASP 10 -5.473 -6.229 -1.898
70 HA PRO 11 HA PRO 11 -0.994 -4.418 -3.894
71 HB2 PRO 11 HB3 PRO 11 0.523 -6.317 -5.135
72 HB3 PRO 11 HB2 PRO 11 1.038 -5.404 -3.702
73 HG2 PRO 11 2HG PRO 11 0.200 -8.208 -3.967
74 HG3 PRO 11 1HG PRO 11 1.096 -7.420 -2.661
75 HD2 PRO 11 2HD PRO 11 -1.615 -8.204 -2.631
76 HD3 PRO 11 1HD PRO 11 -0.774 -7.208 -1.431
77 H LYS 12 H LYS 12 -2.952 -7.095 -4.699
78 HA LYS 12 HA LYS 12 -2.741 -6.546 -7.466
79 HB2 LYS 12 HB3 LYS 12 -4.231 -8.515 -5.782
80 HB3 LYS 12 HB2 LYS 12 -4.578 -8.310 -7.477
81 HG2 LYS 12 2HG LYS 12 -3.124 -10.213 -7.250
82 HG3 LYS 12 1HG LYS 12 -2.160 -8.915 -7.939
83 HD2 LYS 12 2HD LYS 12 -1.211 -8.447 -5.728
84 HD3 LYS 12 1HD LYS 12 -2.187 -9.726 -5.018
85 HE2 LYS 12 2HE LYS 12 -0.021 -10.052 -7.098
86 HE3 LYS 12 1HE LYS 12 0.093 -10.483 -5.401
87 HZ1 LYS 12 1HZ LYS 12 -1.782 -11.741 -7.348
88 HZ2 LYS 12 2HZ LYS 12 -1.632 -12.170 -5.736
89 HZ3 LYS 12 3HZ LYS 12 -0.365 -12.440 -6.789
90 H ASN 13 H ASN 13 -4.774 -5.858 -4.720
91 HA ASN 13 HA ASN 13 -6.254 -3.896 -6.174
92 HB2 ASN 13 HB3 ASN 13 -7.273 -5.998 -6.894
93 HB3 ASN 13 HB2 ASN 13 -7.675 -6.357 -5.233
94 HD21 ASN 13 HD21 ASN 13 -7.901 -3.158 -6.787
95 HD22 ASN 13 HD22 ASN 13 -9.604 -3.013 -6.578
96 H ASP 14 H ASP 14 -5.688 -2.554 -4.472
97 HA ASP 14 HA ASP 14 -7.228 -3.106 -2.032
98 HB2 ASP 14 HB3 ASP 14 -4.674 -3.273 -1.906
99 HB3 ASP 14 HB2 ASP 14 -4.703 -1.518 -2.029
100 H LYS 15 H LYS 15 -6.938 -0.741 -0.758
101 HA LYS 15 HA LYS 15 -8.572 1.041 -2.420
102 HB2 LYS 15 HB3 LYS 15 -8.562 0.750 0.596
103 HB3 LYS 15 HB2 LYS 15 -9.611 1.756 -0.356
104 HG2 LYS 15 2HG LYS 15 -10.918 -0.090 0.379
105 HG3 LYS 15 1HG LYS 15 -10.604 -0.344 -1.333
106 HD2 LYS 15 2HD LYS 15 -10.360 -2.439 -0.111
107 HD3 LYS 15 1HD LYS 15 -8.799 -1.929 -0.747
108 HE2 LYS 15 2HE LYS 15 -8.269 -0.982 1.511
109 HE3 LYS 15 1HE LYS 15 -9.779 -1.674 2.104
110 HZ1 LYS 15 1HZ LYS 15 -8.885 -3.875 1.400
111 HZ2 LYS 15 2HZ LYS 15 -7.985 -3.133 2.613
112 HZ3 LYS 15 3HZ LYS 15 -7.408 -3.129 1.053
113 H CYS 16 H CYS 16 -5.510 0.714 -1.380
114 HA CYS 16 HA CYS 16 -5.064 3.171 -0.052
115 HB2 CYS 16 HB3 CYS 16 -3.529 1.093 -0.011
116 HB3 CYS 16 HB2 CYS 16 -3.016 1.582 -1.623
117 H CYS 17 H CYS 17 -4.234 5.095 -0.929
118 HA CYS 17 HA CYS 17 -5.308 5.846 -3.348
119 HB2 CYS 17 HB3 CYS 17 -3.304 7.146 -1.537
120 HB3 CYS 17 HB2 CYS 17 -4.014 7.919 -2.942
121 H LYS 18 H LYS 18 -4.026 6.993 -4.948
122 HA LYS 18 HA LYS 18 -2.194 5.207 -6.166
123 HB2 LYS 18 HB3 LYS 18 -3.986 6.585 -7.328
124 HB3 LYS 18 HB2 LYS 18 -3.010 8.000 -7.006
125 HG2 LYS 18 2HG LYS 18 -2.709 7.255 -9.289
126 HG3 LYS 18 1HG LYS 18 -1.209 7.059 -8.385
127 HD2 LYS 18 2HD LYS 18 -1.625 5.117 -9.811
128 HD3 LYS 18 1HD LYS 18 -1.693 4.668 -8.110
129 HE2 LYS 18 2HE LYS 18 -4.138 4.712 -8.190
130 HE3 LYS 18 1HE LYS 18 -4.083 5.188 -9.886
131 HZ1 LYS 18 1HZ LYS 18 -3.007 3.083 -10.395
132 HZ2 LYS 18 2HZ LYS 18 -4.468 2.815 -9.598
133 HZ3 LYS 18 3HZ LYS 18 -3.023 2.656 -8.764
134 H ASN 19 H ASN 19 -0.159 5.940 -6.831
135 HA ASN 19 HA ASN 19 1.954 6.735 -6.594
136 HB2 ASN 19 HB3 ASN 19 0.766 8.873 -4.813
137 HB3 ASN 19 HB2 ASN 19 2.469 8.771 -5.240
138 HD21 ASN 19 HD21 ASN 19 1.978 8.024 -8.043
139 HD22 ASN 19 HD22 ASN 19 1.386 9.467 -8.782
140 H TYR 20 H TYR 20 0.058 6.120 -3.856
141 HA TYR 20 HA TYR 20 2.295 5.176 -2.320
142 HB2 TYR 20 HB3 TYR 20 -0.647 4.530 -1.932
143 HB3 TYR 20 HB2 TYR 20 0.664 4.382 -0.794
144 HD1 TYR 20 1HD TYR 20 -1.840 5.534 -0.048
145 HD2 TYR 20 2HD TYR 20 1.531 7.450 -1.764
146 HE1 TYR 20 1HE TYR 20 -2.534 7.638 0.967
147 HE2 TYR 20 2HE TYR 20 0.847 9.576 -0.730
148 HH TYR 20 HH TYR 20 -1.470 9.724 1.701
149 H THR 21 H THR 21 2.526 2.841 -2.050
150 HA THR 21 HA THR 21 1.104 1.283 -4.026
151 HB THR 21 HB THR 21 4.089 1.195 -3.716
152 HG1 THR 21 1HG THR 21 2.345 2.659 -5.308
153 HG21 THR 21 1HG2 THR 21 3.994 -0.151 -5.790
154 HG22 THR 21 2HG2 THR 21 2.232 -0.051 -5.754
155 HG23 THR 21 3HG2 THR 21 3.093 -0.905 -4.475
156 H CYS 22 H CYS 22 0.979 -0.805 -3.494
157 HA CYS 22 HA CYS 22 1.144 -1.328 -0.674
158 HB2 CYS 22 HB3 CYS 22 -0.841 -1.940 -1.881
159 HB3 CYS 22 HB2 CYS 22 0.108 -3.036 -2.909
160 H SER 23 H SER 23 2.496 -2.619 0.242
161 HA SER 23 HA SER 23 4.636 -3.671 -1.418
162 HB2 SER 23 HB3 SER 23 5.295 -2.145 0.364
163 HB3 SER 23 HB2 SER 23 4.447 -3.128 1.552
164 HG SER 23 HG SER 23 6.788 -3.442 1.410
165 H ARG 24 H ARG 24 4.856 -5.828 -1.622
166 HA ARG 24 HA ARG 24 2.988 -7.558 -0.187
167 HB2 ARG 24 HB3 ARG 24 3.863 -7.620 -2.758
168 HB3 ARG 24 HB2 ARG 24 5.066 -8.667 -2.030
169 HG2 ARG 24 2HG ARG 24 2.070 -9.100 -2.006
170 HG3 ARG 24 1HG ARG 24 3.225 -9.928 -3.036
171 HD2 ARG 24 2HD ARG 24 4.234 -10.953 -1.042
172 HD3 ARG 24 1HD ARG 24 3.071 -10.099 -0.024
173 HE ARG 24 HE ARG 24 1.757 -11.577 -2.042
174 HH11 ARG 24 1HH1 ARG 24 3.378 -12.085 1.046
175 HH12 ARG 24 2HH1 ARG 24 2.519 -13.494 1.443
176 HH21 ARG 24 1HH2 ARG 24 0.550 -13.485 -1.505
177 HH22 ARG 24 2HH2 ARG 24 0.842 -14.315 -0.048
178 H ARG 25 H ARG 25 6.133 -6.351 -0.175
179 HA ARG 25 HA ARG 25 7.503 -8.401 1.206
180 HB2 ARG 25 HB3 ARG 25 8.454 -6.617 -0.285
181 HB3 ARG 25 HB2 ARG 25 8.080 -5.451 0.966
182 HG2 ARG 25 2HG ARG 25 10.346 -5.910 1.147
183 HG3 ARG 25 1HG ARG 25 9.554 -6.782 2.469
184 HD2 ARG 25 2HD ARG 25 10.311 -8.062 -0.168
185 HD3 ARG 25 1HD ARG 25 11.362 -8.077 1.241
186 HE ARG 25 HE ARG 25 9.668 -9.366 2.387
187 HH11 ARG 25 1HH1 ARG 25 9.242 -9.246 -1.193
188 HH12 ARG 25 2HH1 ARG 25 8.507 -10.768 -1.236
189 HH21 ARG 25 1HH2 ARG 25 8.659 -11.429 2.219
190 HH22 ARG 25 2HH2 ARG 25 8.154 -12.042 0.705
191 H ASP 26 H ASP 26 6.204 -5.223 2.070
192 HA ASP 26 HA ASP 26 6.558 -5.664 4.934
193 HB2 ASP 26 HB3 ASP 26 5.284 -3.348 3.453
194 HB3 ASP 26 HB2 ASP 26 5.592 -3.399 5.177
195 H ARG 27 H ARG 27 4.085 -5.838 2.533
196 HA ARG 27 HA ARG 27 2.092 -6.539 2.420
197 HB2 ARG 27 HB3 ARG 27 2.280 -7.217 5.345
198 HB3 ARG 27 HB2 ARG 27 0.917 -7.573 4.272
199 HG2 ARG 27 2HG ARG 27 2.258 -9.018 2.937
200 HG3 ARG 27 1HG ARG 27 3.715 -8.559 3.823
201 HD2 ARG 27 2HD ARG 27 2.810 -9.517 5.841
202 HD3 ARG 27 1HD ARG 27 1.322 -9.959 5.001
203 HE ARG 27 HE ARG 27 3.348 -11.085 3.577
204 HH11 ARG 27 1HH1 ARG 27 2.187 -11.342 6.926
205 HH12 ARG 27 2HH1 ARG 27 2.735 -12.943 7.119
206 HH21 ARG 27 1HH2 ARG 27 4.092 -13.275 3.863
207 HH22 ARG 27 2HH2 ARG 27 3.812 -14.076 5.333
208 H TRP 28 H TRP 28 2.973 -3.875 3.861
209 HA TRP 28 HA TRP 28 0.220 -2.956 3.919
210 HB2 TRP 28 HB3 TRP 28 0.882 -1.113 5.461
211 HB3 TRP 28 HB2 TRP 28 1.060 -2.698 6.180
212 HD1 TRP 28 HD TRP 28 3.374 -0.104 4.422
213 HE1 TRP 28 1HE TRP 28 5.637 -0.101 5.692
214 HE3 TRP 28 3HE TRP 28 2.398 -3.730 7.859
215 HZ2 TRP 28 2HZ TRP 28 6.813 -1.436 7.852
216 HZ3 TRP 28 3HZ TRP 28 4.144 -4.302 9.505
217 HH2 TRP 28 HH TRP 28 6.295 -3.174 9.492
218 H CYS 29 H CYS 29 -0.004 -0.649 3.321
219 HA CYS 29 HA CYS 29 1.319 -0.311 0.838
220 HB2 CYS 29 HB3 CYS 29 -1.124 0.085 1.147
221 HB3 CYS 29 HB2 CYS 29 -0.727 1.441 2.199
222 H LYS 30 H LYS 30 2.721 1.331 0.317
223 HA LYS 30 HA LYS 30 3.540 3.138 2.457
224 HB2 LYS 30 HB3 LYS 30 5.462 1.677 0.674
225 HB3 LYS 30 HB2 LYS 30 5.831 2.835 1.924
226 HG2 LYS 30 2HG LYS 30 4.950 1.290 3.619
227 HG3 LYS 30 1HG LYS 30 4.649 0.104 2.350
228 HD2 LYS 30 2HD LYS 30 7.328 1.221 3.174
229 HD3 LYS 30 1HD LYS 30 6.710 -0.396 3.510
230 HE2 LYS 30 2HE LYS 30 6.632 -0.799 1.059
231 HE3 LYS 30 1HE LYS 30 7.404 0.770 0.822
232 HZ1 LYS 30 1HZ LYS 30 8.506 -1.534 2.301
233 HZ2 LYS 30 2HZ LYS 30 9.281 -0.031 2.165
234 HZ3 LYS 30 3HZ LYS 30 9.040 -0.979 0.804
235 H TYR 31 H TYR 31 4.613 5.017 1.675
236 HA TYR 31 HA TYR 31 3.705 5.809 -0.918
237 HB2 TYR 31 HB3 TYR 31 3.863 7.366 1.067
238 HB3 TYR 31 HB2 TYR 31 5.609 7.216 0.983
239 HD1 TYR 31 1HD TYR 31 5.951 9.577 0.733
240 HD2 TYR 31 2HD TYR 31 3.536 7.479 -2.074
241 HE1 TYR 31 1HE TYR 31 6.018 11.504 -0.768
242 HE2 TYR 31 2HE TYR 31 3.602 9.402 -3.572
243 HH TYR 31 HH TYR 31 5.723 12.042 -3.068
244 H ASP 32 H ASP 32 4.757 5.158 -2.670
245 HA ASP 32 HA ASP 32 7.224 3.744 -2.450
246 HB2 ASP 32 HB3 ASP 32 5.400 3.114 -4.024
247 HB3 ASP 32 HB2 ASP 32 5.763 4.565 -4.950
248 H LEU 33 H LEU 33 6.432 6.939 -3.170
249 HA LEU 33 HA LEU 33 8.939 7.536 -4.486
250 HB2 LEU 33 HB3 LEU 33 6.647 9.335 -3.682
251 HB3 LEU 33 HB2 LEU 33 8.114 9.923 -4.422
252 HG LEU 33 HG LEU 33 6.436 9.858 -6.081
253 HD11 LEU 33 HD11 LEU 33 8.608 9.227 -6.854
254 HD12 LEU 33 HD12 LEU 33 7.359 8.377 -7.760
255 HD13 LEU 33 HD13 LEU 33 8.273 7.527 -6.516
256 HD21 LEU 33 HD21 LEU 33 5.966 6.956 -5.396
257 HD22 LEU 33 HD22 LEU 33 5.214 7.820 -6.735
258 HD23 LEU 33 HD23 LEU 33 4.864 8.293 -5.075
259 HN1 NH2 34 HN1 NH2 34 7.395 9.200 -1.786
260 HN2 NH2 34 HN2 NH2 34 8.814 9.305 -0.815
Start of MODEL 7
1 H1 ASP 1 1HT ASP 1 -13.439 5.682 1.390
2 H2 ASP 1 2HT ASP 1 -13.425 5.928 -0.259
3 H3 ASP 1 3HT ASP 1 -14.165 7.072 0.746
4 HA ASP 1 HA ASP 1 -11.996 7.836 -0.028
5 HB2 ASP 1 HB3 ASP 1 -11.958 7.002 2.887
6 HB3 ASP 1 HB2 ASP 1 -10.909 8.211 2.161
7 H CYS 2 H CYS 2 -9.678 7.429 -0.079
8 HA CYS 2 HA CYS 2 -9.203 4.585 0.001
9 HB2 CYS 2 HB3 CYS 2 -7.043 5.134 -1.005
10 HB3 CYS 2 HB2 CYS 2 -8.433 5.407 -2.039
11 H LEU 3 H LEU 3 -6.928 4.014 0.666
12 HA LEU 3 HA LEU 3 -6.814 4.785 3.446
13 HB2 LEU 3 HB3 LEU 3 -5.341 2.618 2.023
14 HB3 LEU 3 HB2 LEU 3 -5.779 2.744 3.711
15 HG LEU 3 HG LEU 3 -7.712 2.398 1.472
16 HD11 LEU 3 HD11 LEU 3 -6.311 0.396 1.731
17 HD12 LEU 3 HD12 LEU 3 -7.931 0.048 2.345
18 HD13 LEU 3 HD13 LEU 3 -6.612 0.382 3.468
19 HD21 LEU 3 HD21 LEU 3 -8.081 2.261 4.470
20 HD22 LEU 3 HD22 LEU 3 -9.310 1.798 3.295
21 HD23 LEU 3 HD23 LEU 3 -8.746 3.468 3.367
22 H GLY 4 H GLY 4 -4.923 5.525 4.375
23 HA2 GLY 4 2HA GLY 4 -2.823 6.502 2.676
24 HA3 GLY 4 1HA GLY 4 -2.909 6.627 4.441
25 H TRP 5 H TRP 5 -0.452 5.836 3.841
26 HA TRP 5 HA TRP 5 -0.541 3.122 3.343
27 HB2 TRP 5 HB3 TRP 5 1.597 3.312 2.810
28 HB3 TRP 5 HB2 TRP 5 1.044 4.907 2.475
29 HD1 TRP 5 HD TRP 5 3.653 3.057 4.166
30 HE1 TRP 5 1HE TRP 5 5.247 4.547 5.337
31 HE3 TRP 5 3HE TRP 5 0.771 7.276 4.170
32 HZ2 TRP 5 2HZ TRP 5 5.266 7.290 6.322
33 HZ3 TRP 5 3HZ TRP 5 1.641 9.270 5.276
34 HH2 TRP 5 HH TRP 5 3.842 9.283 6.330
35 H PHE 6 H PHE 6 1.197 1.908 4.760
36 HA PHE 6 HA PHE 6 1.534 0.711 6.587
37 HB2 PHE 6 HB3 PHE 6 0.612 3.180 8.002
38 HB3 PHE 6 HB2 PHE 6 0.745 1.659 8.874
39 HD1 PHE 6 1HD PHE 6 2.470 4.536 7.666
40 HD2 PHE 6 2HD PHE 6 2.998 0.496 8.872
41 HE1 PHE 6 1HE PHE 6 4.847 4.971 8.070
42 HE2 PHE 6 2HE PHE 6 5.377 0.911 9.273
43 HZ PHE 6 HZ PHE 6 6.317 3.162 8.877
44 H LYS 7 H LYS 7 -1.485 1.404 5.434
45 HA LYS 7 HA LYS 7 -2.882 -0.290 7.253
46 HB2 LYS 7 HB3 LYS 7 -3.725 0.663 4.534
47 HB3 LYS 7 HB2 LYS 7 -4.737 0.133 5.853
48 HG2 LYS 7 2HG LYS 7 -3.112 2.653 5.878
49 HG3 LYS 7 1HG LYS 7 -4.811 2.580 5.467
50 HD2 LYS 7 2HD LYS 7 -5.226 1.652 7.761
51 HD3 LYS 7 1HD LYS 7 -3.519 1.934 8.120
52 HE2 LYS 7 2HE LYS 7 -3.868 4.340 7.507
53 HE3 LYS 7 1HE LYS 7 -5.584 3.992 7.359
54 HZ1 LYS 7 1HZ LYS 7 -5.084 4.936 9.507
55 HZ2 LYS 7 2HZ LYS 7 -3.943 3.757 9.803
56 HZ3 LYS 7 3HZ LYS 7 -5.570 3.332 9.732
57 H SER 8 H SER 8 -3.520 -2.289 6.628
58 HA SER 8 HA SER 8 -1.776 -3.822 5.077
59 HB2 SER 8 HB3 SER 8 -4.482 -4.431 6.245
60 HB3 SER 8 HB2 SER 8 -3.316 -5.609 5.643
61 HG SER 8 HG SER 8 -2.023 -5.249 7.282
62 H CYS 9 H CYS 9 -2.160 -4.845 3.074
63 HA CYS 9 HA CYS 9 -4.445 -4.015 1.573
64 HB2 CYS 9 HB3 CYS 9 -2.911 -3.283 -0.227
65 HB3 CYS 9 HB2 CYS 9 -2.953 -2.214 1.172
66 H ASP 10 H ASP 10 -3.930 -4.813 -0.742
67 HA ASP 10 HA ASP 10 -2.502 -7.358 -0.801
68 HB2 ASP 10 HB3 ASP 10 -5.004 -7.720 -0.564
69 HB3 ASP 10 HB2 ASP 10 -5.189 -6.792 -2.051
70 HA PRO 11 HA PRO 11 -0.909 -5.021 -4.222
71 HB2 PRO 11 HB3 PRO 11 0.128 -7.013 -5.758
72 HB3 PRO 11 HB2 PRO 11 0.920 -6.406 -4.293
73 HG2 PRO 11 2HG PRO 11 -0.793 -8.834 -4.656
74 HG3 PRO 11 1HG PRO 11 0.719 -8.660 -3.745
75 HD2 PRO 11 2HD PRO 11 -1.686 -8.651 -2.535
76 HD3 PRO 11 1HD PRO 11 -0.339 -7.653 -1.941
77 H LYS 12 H LYS 12 -3.215 -7.676 -4.818
78 HA LYS 12 HA LYS 12 -3.753 -6.623 -7.422
79 HB2 LYS 12 HB3 LYS 12 -4.479 -9.057 -5.878
80 HB3 LYS 12 HB2 LYS 12 -5.191 -8.660 -7.430
81 HG2 LYS 12 2HG LYS 12 -2.949 -8.729 -8.447
82 HG3 LYS 12 1HG LYS 12 -2.248 -9.064 -6.865
83 HD2 LYS 12 2HD LYS 12 -3.499 -11.140 -6.759
84 HD3 LYS 12 1HD LYS 12 -4.181 -10.830 -8.361
85 HE2 LYS 12 2HE LYS 12 -1.885 -10.795 -9.287
86 HE3 LYS 12 1HE LYS 12 -1.256 -11.201 -7.691
87 HZ1 LYS 12 1HZ LYS 12 -2.538 -13.280 -7.809
88 HZ2 LYS 12 2HZ LYS 12 -1.415 -13.158 -9.044
89 HZ3 LYS 12 3HZ LYS 12 -3.046 -12.867 -9.362
90 H ASN 13 H ASN 13 -4.759 -6.352 -4.256
91 HA ASN 13 HA ASN 13 -7.243 -5.037 -5.070
92 HB2 ASN 13 HB3 ASN 13 -7.865 -7.243 -4.094
93 HB3 ASN 13 HB2 ASN 13 -7.016 -6.850 -2.620
94 HD21 ASN 13 HD21 ASN 13 -9.780 -7.567 -2.981
95 HD22 ASN 13 HD22 ASN 13 -10.708 -6.271 -2.325
96 H ASP 14 H ASP 14 -5.965 -3.269 -5.030
97 HA ASP 14 HA ASP 14 -4.871 -2.313 -2.466
98 HB2 ASP 14 HB3 ASP 14 -3.431 -2.295 -4.388
99 HB3 ASP 14 HB2 ASP 14 -4.591 -1.271 -5.264
100 H LYS 15 H LYS 15 -5.825 -0.819 -1.464
101 HA LYS 15 HA LYS 15 -7.918 0.791 -2.756
102 HB2 LYS 15 HB3 LYS 15 -7.920 -0.304 0.045
103 HB3 LYS 15 HB2 LYS 15 -9.096 0.804 -0.622
104 HG2 LYS 15 2HG LYS 15 -8.617 -2.064 -1.431
105 HG3 LYS 15 1HG LYS 15 -10.027 -1.407 -0.598
106 HD2 LYS 15 2HD LYS 15 -10.499 -0.030 -2.629
107 HD3 LYS 15 1HD LYS 15 -9.151 -0.844 -3.421
108 HE2 LYS 15 2HE LYS 15 -11.171 -1.925 -4.101
109 HE3 LYS 15 1HE LYS 15 -10.286 -3.008 -3.032
110 HZ1 LYS 15 1HZ LYS 15 -11.769 -2.344 -1.215
111 HZ2 LYS 15 2HZ LYS 15 -12.631 -2.970 -2.518
112 HZ3 LYS 15 3HZ LYS 15 -12.577 -1.302 -2.269
113 H CYS 16 H CYS 16 -4.988 1.181 -2.027
114 HA CYS 16 HA CYS 16 -5.181 3.245 -0.019
115 HB2 CYS 16 HB3 CYS 16 -2.803 2.017 -1.438
116 HB3 CYS 16 HB2 CYS 16 -2.700 3.239 -0.173
117 H CYS 17 H CYS 17 -4.217 5.375 -0.478
118 HA CYS 17 HA CYS 17 -5.253 6.417 -2.816
119 HB2 CYS 17 HB3 CYS 17 -3.398 7.576 -0.744
120 HB3 CYS 17 HB2 CYS 17 -4.257 8.489 -1.981
121 H LYS 18 H LYS 18 -3.925 7.841 -4.177
122 HA LYS 18 HA LYS 18 -2.172 6.228 -5.599
123 HB2 LYS 18 HB3 LYS 18 -3.799 7.891 -6.498
124 HB3 LYS 18 HB2 LYS 18 -2.703 9.165 -5.997
125 HG2 LYS 18 2HG LYS 18 -1.524 7.097 -7.732
126 HG3 LYS 18 1HG LYS 18 -2.824 8.027 -8.464
127 HD2 LYS 18 2HD LYS 18 -0.362 9.191 -7.169
128 HD3 LYS 18 1HD LYS 18 -0.580 8.972 -8.904
129 HE2 LYS 18 2HE LYS 18 -2.231 10.764 -7.096
130 HE3 LYS 18 1HE LYS 18 -1.034 11.269 -8.278
131 HZ1 LYS 18 1HZ LYS 18 -2.450 10.389 -10.045
132 HZ2 LYS 18 2HZ LYS 18 -3.269 11.524 -9.133
133 HZ3 LYS 18 3HZ LYS 18 -3.605 9.903 -8.918
134 H ASN 19 H ASN 19 -0.147 6.712 -6.203
135 HA ASN 19 HA ASN 19 2.060 7.078 -6.015
136 HB2 ASN 19 HB3 ASN 19 1.459 9.043 -3.798
137 HB3 ASN 19 HB2 ASN 19 3.062 8.727 -4.459
138 HD21 ASN 19 HD21 ASN 19 3.437 9.338 -6.664
139 HD22 ASN 19 HD22 ASN 19 2.536 10.624 -7.372
140 H TYR 20 H TYR 20 0.249 6.438 -3.231
141 HA TYR 20 HA TYR 20 2.353 4.903 -2.048
142 HB2 TYR 20 HB3 TYR 20 -0.613 4.863 -1.405
143 HB3 TYR 20 HB2 TYR 20 0.716 4.222 -0.458
144 HD1 TYR 20 1HD TYR 20 2.303 5.744 0.678
145 HD2 TYR 20 2HD TYR 20 -1.215 7.174 -1.211
146 HE1 TYR 20 1HE TYR 20 2.477 7.828 1.954
147 HE2 TYR 20 2HE TYR 20 -1.051 9.266 0.055
148 HH TYR 20 HH TYR 20 -0.051 10.021 2.189
149 H THR 21 H THR 21 2.250 2.647 -1.966
150 HA THR 21 HA THR 21 0.482 1.319 -3.854
151 HB THR 21 HB THR 21 3.476 0.977 -3.893
152 HG1 THR 21 1HG THR 21 1.832 2.799 -5.100
153 HG21 THR 21 1HG2 THR 21 1.346 0.034 -5.831
154 HG22 THR 21 2HG2 THR 21 2.195 -0.974 -4.663
155 HG23 THR 21 3HG2 THR 21 3.082 -0.242 -5.999
156 H CYS 22 H CYS 22 0.336 -0.874 -3.354
157 HA CYS 22 HA CYS 22 0.829 -1.527 -0.641
158 HB2 CYS 22 HB3 CYS 22 -1.135 -2.342 -1.803
159 HB3 CYS 22 HB2 CYS 22 -0.098 -3.291 -2.895
160 H SER 23 H SER 23 2.388 -2.611 0.148
161 HA SER 23 HA SER 23 4.433 -3.639 -1.669
162 HB2 SER 23 HB3 SER 23 5.193 -1.858 -0.055
163 HB3 SER 23 HB2 SER 23 4.681 -2.898 1.272
164 HG SER 23 HG SER 23 6.791 -3.331 1.073
165 H ARG 24 H ARG 24 4.053 -5.737 -1.952
166 HA ARG 24 HA ARG 24 2.480 -7.255 -0.144
167 HB2 ARG 24 HB3 ARG 24 2.807 -7.580 -2.709
168 HB3 ARG 24 HB2 ARG 24 4.284 -8.415 -2.288
169 HG2 ARG 24 2HG ARG 24 1.542 -9.275 -1.338
170 HG3 ARG 24 1HG ARG 24 2.307 -9.882 -2.797
171 HD2 ARG 24 2HD ARG 24 4.134 -10.785 -1.455
172 HD3 ARG 24 1HD ARG 24 3.370 -10.142 0.006
173 HE ARG 24 HE ARG 24 1.427 -11.650 -0.868
174 HH11 ARG 24 1HH1 ARG 24 4.891 -12.459 -0.870
175 HH12 ARG 24 2HH1 ARG 24 4.629 -14.122 -0.619
176 HH21 ARG 24 1HH2 ARG 24 1.102 -13.958 -0.511
177 HH22 ARG 24 2HH2 ARG 24 2.449 -14.982 -0.421
178 H ARG 25 H ARG 25 5.766 -6.504 -0.456
179 HA ARG 25 HA ARG 25 7.055 -8.523 0.985
180 HB2 ARG 25 HB3 ARG 25 8.130 -6.685 -0.344
181 HB3 ARG 25 HB2 ARG 25 7.713 -5.581 0.957
182 HG2 ARG 25 2HG ARG 25 8.969 -7.116 2.486
183 HG3 ARG 25 1HG ARG 25 9.579 -7.901 1.023
184 HD2 ARG 25 2HD ARG 25 11.212 -6.285 1.707
185 HD3 ARG 25 1HD ARG 25 10.400 -5.659 0.271
186 HE ARG 25 HE ARG 25 8.970 -4.564 2.296
187 HH11 ARG 25 1HH1 ARG 25 12.374 -4.497 1.415
188 HH12 ARG 25 2HH1 ARG 25 12.743 -3.112 2.328
189 HH21 ARG 25 1HH2 ARG 25 9.396 -2.754 3.558
190 HH22 ARG 25 2HH2 ARG 25 10.976 -2.060 3.603
191 H ASP 26 H ASP 26 5.907 -5.330 1.979
192 HA ASP 26 HA ASP 26 6.313 -5.863 4.784
193 HB2 ASP 26 HB3 ASP 26 5.077 -3.489 3.373
194 HB3 ASP 26 HB2 ASP 26 5.493 -3.555 5.080
195 H ARG 27 H ARG 27 3.814 -6.065 2.487
196 HA ARG 27 HA ARG 27 1.801 -6.814 2.419
197 HB2 ARG 27 HB3 ARG 27 2.062 -7.408 5.368
198 HB3 ARG 27 HB2 ARG 27 0.772 -7.931 4.270
199 HG2 ARG 27 2HG ARG 27 2.230 -9.345 3.066
200 HG3 ARG 27 1HG ARG 27 3.652 -8.668 3.866
201 HD2 ARG 27 2HD ARG 27 1.456 -10.247 5.192
202 HD3 ARG 27 1HD ARG 27 3.071 -10.847 4.795
203 HE ARG 27 HE ARG 27 3.762 -8.835 6.259
204 HH11 ARG 27 1HH1 ARG 27 1.178 -11.174 6.905
205 HH12 ARG 27 2HH1 ARG 27 1.155 -10.889 8.589
206 HH21 ARG 27 1HH2 ARG 27 3.722 -8.467 8.585
207 HH22 ARG 27 2HH2 ARG 27 2.630 -9.348 9.546
208 H TRP 28 H TRP 28 2.667 -4.090 3.387
209 HA TRP 28 HA TRP 28 -0.031 -3.099 3.678
210 HB2 TRP 28 HB3 TRP 28 0.563 -1.452 5.394
211 HB3 TRP 28 HB2 TRP 28 0.862 -3.064 6.000
212 HD1 TRP 28 HD TRP 28 2.955 -0.169 4.433
213 HE1 TRP 28 1HE TRP 28 5.207 -0.053 5.671
214 HE3 TRP 28 3HE TRP 28 2.353 -4.134 7.594
215 HZ2 TRP 28 2HZ TRP 28 6.544 -1.442 7.722
216 HZ3 TRP 28 3HZ TRP 28 4.165 -4.663 9.171
217 HH2 TRP 28 HH TRP 28 6.211 -3.345 9.229
218 H CYS 29 H CYS 29 -0.193 -0.787 3.082
219 HA CYS 29 HA CYS 29 1.253 -0.329 0.733
220 HB2 CYS 29 HB3 CYS 29 -0.784 1.145 2.321
221 HB3 CYS 29 HB2 CYS 29 -0.065 1.832 0.871
222 H LYS 30 H LYS 30 2.774 1.151 0.317
223 HA LYS 30 HA LYS 30 3.667 2.966 2.422
224 HB2 LYS 30 HB3 LYS 30 5.501 1.334 0.673
225 HB3 LYS 30 HB2 LYS 30 5.946 2.590 1.776
226 HG2 LYS 30 2HG LYS 30 5.361 1.272 3.672
227 HG3 LYS 30 1HG LYS 30 4.645 0.030 2.644
228 HD2 LYS 30 2HD LYS 30 6.905 -0.588 3.464
229 HD3 LYS 30 1HD LYS 30 6.802 -0.520 1.706
230 HE2 LYS 30 2HE LYS 30 8.870 0.492 2.479
231 HE3 LYS 30 1HE LYS 30 7.843 1.712 1.744
232 HZ1 LYS 30 1HZ LYS 30 8.812 2.550 3.751
233 HZ2 LYS 30 2HZ LYS 30 8.257 1.258 4.650
234 HZ3 LYS 30 3HZ LYS 30 7.163 2.378 4.019
235 H TYR 31 H TYR 31 5.074 4.665 1.474
236 HA TYR 31 HA TYR 31 3.821 5.624 -0.922
237 HB2 TYR 31 HB3 TYR 31 4.531 7.182 0.913
238 HB3 TYR 31 HB2 TYR 31 6.205 6.733 0.605
239 HD1 TYR 31 1HD TYR 31 3.282 8.529 -0.730
240 HD2 TYR 31 2HD TYR 31 7.399 7.628 -1.296
241 HE1 TYR 31 1HE TYR 31 3.424 10.285 -2.429
242 HE2 TYR 31 2HE TYR 31 7.558 9.378 -2.994
243 HH TYR 31 HH TYR 31 5.068 11.700 -3.521
244 H ASP 32 H ASP 32 4.548 5.151 -2.889
245 HA ASP 32 HA ASP 32 7.267 4.095 -3.026
246 HB2 ASP 32 HB3 ASP 32 5.701 2.221 -3.159
247 HB3 ASP 32 HB2 ASP 32 4.887 2.985 -4.516
248 H LEU 33 H LEU 33 4.994 4.571 -5.563
249 HA LEU 33 HA LEU 33 6.609 6.787 -6.588
250 HB2 LEU 33 HB3 LEU 33 5.854 4.358 -8.243
251 HB3 LEU 33 HB2 LEU 33 6.581 5.817 -8.871
252 HG LEU 33 HG LEU 33 7.913 3.931 -6.919
253 HD11 LEU 33 HD11 LEU 33 9.295 3.268 -8.816
254 HD12 LEU 33 HD12 LEU 33 8.327 4.290 -9.878
255 HD13 LEU 33 HD13 LEU 33 7.593 2.892 -9.091
256 HD21 LEU 33 HD21 LEU 33 8.730 6.222 -6.714
257 HD22 LEU 33 HD22 LEU 33 8.993 6.297 -8.455
258 HD23 LEU 33 HD23 LEU 33 9.944 5.189 -7.467
259 HN1 NH2 34 HN1 NH2 34 4.062 4.851 -8.043
260 HN2 NH2 34 HN2 NH2 34 2.888 6.115 -8.102
Start of MODEL 8
1 H1 ASP 1 1HT ASP 1 -13.659 5.899 0.721
2 H2 ASP 1 2HT ASP 1 -13.510 5.912 -0.936
3 H3 ASP 1 3HT ASP 1 -14.185 7.247 -0.162
4 HA ASP 1 HA ASP 1 -11.944 7.699 -0.839
5 HB2 ASP 1 HB3 ASP 1 -12.226 7.276 2.143
6 HB3 ASP 1 HB2 ASP 1 -10.885 8.141 1.413
7 H CYS 2 H CYS 2 -9.640 7.198 -0.483
8 HA CYS 2 HA CYS 2 -9.225 4.333 -0.348
9 HB2 CYS 2 HB3 CYS 2 -6.912 4.980 -0.984
10 HB3 CYS 2 HB2 CYS 2 -8.142 5.211 -2.219
11 H LEU 3 H LEU 3 -6.890 3.874 0.611
12 HA LEU 3 HA LEU 3 -7.218 4.458 3.406
13 HB2 LEU 3 HB3 LEU 3 -5.213 2.721 2.037
14 HB3 LEU 3 HB2 LEU 3 -5.776 2.654 3.691
15 HG LEU 3 HG LEU 3 -7.445 2.075 1.290
16 HD11 LEU 3 HD11 LEU 3 -6.085 0.183 3.257
17 HD12 LEU 3 HD12 LEU 3 -5.686 0.380 1.548
18 HD13 LEU 3 HD13 LEU 3 -7.230 -0.324 2.014
19 HD21 LEU 3 HD21 LEU 3 -8.773 2.803 3.190
20 HD22 LEU 3 HD22 LEU 3 -7.980 1.624 4.236
21 HD23 LEU 3 HD23 LEU 3 -9.026 1.076 2.928
22 H GLY 4 H GLY 4 -5.732 5.559 4.607
23 HA2 GLY 4 2HA GLY 4 -3.624 7.020 3.382
24 HA3 GLY 4 1HA GLY 4 -3.946 6.858 5.118
25 H TRP 5 H TRP 5 -1.353 6.350 3.598
26 HA TRP 5 HA TRP 5 -1.226 3.632 3.551
27 HB2 TRP 5 HB3 TRP 5 0.787 3.899 2.623
28 HB3 TRP 5 HB2 TRP 5 0.072 5.430 2.264
29 HD1 TRP 5 HD TRP 5 2.915 3.850 4.109
30 HE1 TRP 5 1HE TRP 5 4.527 5.585 4.866
31 HE3 TRP 5 3HE TRP 5 0.013 7.937 3.214
32 HZ2 TRP 5 2HZ TRP 5 4.576 8.458 5.148
33 HZ3 TRP 5 3HZ TRP 5 0.904 10.148 3.778
34 HH2 TRP 5 HH TRP 5 3.142 10.402 4.729
35 H PHE 6 H PHE 6 0.733 2.657 4.610
36 HA PHE 6 HA PHE 6 1.610 1.634 6.358
37 HB2 PHE 6 HB3 PHE 6 2.115 3.982 7.246
38 HB3 PHE 6 HB2 PHE 6 0.641 3.857 8.191
39 HD1 PHE 6 1HD PHE 6 3.878 2.161 7.591
40 HD2 PHE 6 2HD PHE 6 0.734 2.933 10.340
41 HE1 PHE 6 1HE PHE 6 5.165 1.050 9.369
42 HE2 PHE 6 2HE PHE 6 2.017 1.824 12.120
43 HZ PHE 6 HZ PHE 6 4.234 0.882 11.629
44 H LYS 7 H LYS 7 -1.567 2.185 5.842
45 HA LYS 7 HA LYS 7 -2.562 0.456 7.878
46 HB2 LYS 7 HB3 LYS 7 -3.850 1.675 5.423
47 HB3 LYS 7 HB2 LYS 7 -4.669 0.814 6.722
48 HG2 LYS 7 2HG LYS 7 -3.099 3.280 7.197
49 HG3 LYS 7 1HG LYS 7 -4.788 3.319 6.716
50 HD2 LYS 7 2HD LYS 7 -5.329 1.933 8.691
51 HD3 LYS 7 1HD LYS 7 -3.624 1.966 9.152
52 HE2 LYS 7 2HE LYS 7 -4.859 3.626 10.395
53 HE3 LYS 7 1HE LYS 7 -3.705 4.366 9.269
54 HZ1 LYS 7 1HZ LYS 7 -6.607 4.080 8.751
55 HZ2 LYS 7 2HZ LYS 7 -5.498 4.896 7.775
56 HZ3 LYS 7 3HZ LYS 7 -5.872 5.490 9.288
57 H SER 8 H SER 8 -3.605 -1.420 7.224
58 HA SER 8 HA SER 8 -2.043 -3.034 5.503
59 HB2 SER 8 HB3 SER 8 -4.473 -3.550 7.182
60 HB3 SER 8 HB2 SER 8 -3.440 -4.780 6.460
61 HG SER 8 HG SER 8 -2.066 -2.898 7.909
62 H CYS 9 H CYS 9 -2.853 -4.173 3.650
63 HA CYS 9 HA CYS 9 -5.469 -3.683 2.684
64 HB2 CYS 9 HB3 CYS 9 -4.535 -2.918 0.522
65 HB3 CYS 9 HB2 CYS 9 -4.474 -1.711 1.796
66 H ASP 10 H ASP 10 -5.330 -4.629 0.274
67 HA ASP 10 HA ASP 10 -4.077 -7.275 0.536
68 HB2 ASP 10 HB3 ASP 10 -6.521 -7.194 -0.032
69 HB3 ASP 10 HB2 ASP 10 -6.116 -6.315 -1.503
70 HA PRO 11 HA PRO 11 -0.958 -5.579 -2.038
71 HB2 PRO 11 HB3 PRO 11 0.318 -7.858 -2.790
72 HB3 PRO 11 HB2 PRO 11 0.528 -7.095 -1.203
73 HG2 PRO 11 2HG PRO 11 -1.109 -9.457 -1.992
74 HG3 PRO 11 1HG PRO 11 -0.211 -9.156 -0.496
75 HD2 PRO 11 2HD PRO 11 -2.931 -8.883 -0.724
76 HD3 PRO 11 1HD PRO 11 -1.948 -7.999 0.452
77 H LYS 12 H LYS 12 -3.190 -7.884 -3.366
78 HA LYS 12 HA LYS 12 -2.262 -7.174 -5.963
79 HB2 LYS 12 HB3 LYS 12 -2.827 -9.544 -5.244
80 HB3 LYS 12 HB2 LYS 12 -4.508 -9.047 -5.272
81 HG2 LYS 12 2HG LYS 12 -3.857 -10.176 -7.335
82 HG3 LYS 12 1HG LYS 12 -4.338 -8.495 -7.632
83 HD2 LYS 12 2HD LYS 12 -2.052 -7.813 -7.640
84 HD3 LYS 12 1HD LYS 12 -1.525 -9.442 -7.244
85 HE2 LYS 12 2HE LYS 12 -2.964 -8.571 -9.763
86 HE3 LYS 12 1HE LYS 12 -1.242 -8.930 -9.656
87 HZ1 LYS 12 1HZ LYS 12 -3.469 -10.864 -9.266
88 HZ2 LYS 12 2HZ LYS 12 -1.845 -11.207 -9.025
89 HZ3 LYS 12 3HZ LYS 12 -2.382 -10.796 -10.560
90 H ASN 13 H ASN 13 -4.650 -6.454 -3.668
91 HA ASN 13 HA ASN 13 -6.095 -4.919 -5.706
92 HB2 ASN 13 HB3 ASN 13 -7.496 -6.817 -4.826
93 HB3 ASN 13 HB2 ASN 13 -7.414 -6.080 -3.231
94 HD21 ASN 13 HD21 ASN 13 -9.619 -5.802 -3.150
95 HD22 ASN 13 HD22 ASN 13 -10.481 -4.643 -4.086
96 H ASP 14 H ASP 14 -4.531 -3.466 -5.245
97 HA ASP 14 HA ASP 14 -4.062 -2.163 -2.821
98 HB2 ASP 14 HB3 ASP 14 -2.508 -1.912 -4.561
99 HB3 ASP 14 HB2 ASP 14 -3.749 -1.255 -5.648
100 H LYS 15 H LYS 15 -4.934 -0.645 -1.820
101 HA LYS 15 HA LYS 15 -7.193 0.854 -2.906
102 HB2 LYS 15 HB3 LYS 15 -7.062 -0.663 -0.335
103 HB3 LYS 15 HB2 LYS 15 -8.171 0.672 -0.574
104 HG2 LYS 15 2HG LYS 15 -9.162 -0.539 -2.478
105 HG3 LYS 15 1HG LYS 15 -8.063 -1.887 -2.164
106 HD2 LYS 15 2HD LYS 15 -9.052 -2.227 0.015
107 HD3 LYS 15 1HD LYS 15 -10.072 -0.801 -0.192
108 HE2 LYS 15 2HE LYS 15 -10.170 -3.310 -1.868
109 HE3 LYS 15 1HE LYS 15 -11.321 -2.860 -0.609
110 HZ1 LYS 15 1HZ LYS 15 -10.846 -1.399 -3.162
111 HZ2 LYS 15 2HZ LYS 15 -11.856 -0.872 -1.930
112 HZ3 LYS 15 3HZ LYS 15 -12.218 -2.278 -2.747
113 H CYS 16 H CYS 16 -4.221 1.237 -2.085
114 HA CYS 16 HA CYS 16 -4.423 3.174 0.026
115 HB2 CYS 16 HB3 CYS 16 -2.067 2.627 -1.768
116 HB3 CYS 16 HB2 CYS 16 -2.063 3.204 -0.105
117 H CYS 17 H CYS 17 -4.048 5.458 -0.395
118 HA CYS 17 HA CYS 17 -5.002 6.365 -2.830
119 HB2 CYS 17 HB3 CYS 17 -3.379 7.830 -0.780
120 HB3 CYS 17 HB2 CYS 17 -4.446 8.510 -1.986
121 H LYS 18 H LYS 18 -3.820 7.583 -4.302
122 HA LYS 18 HA LYS 18 -1.817 6.053 -5.396
123 HB2 LYS 18 HB3 LYS 18 -3.519 7.482 -6.616
124 HB3 LYS 18 HB2 LYS 18 -2.497 8.858 -6.255
125 HG2 LYS 18 2HG LYS 18 -2.174 7.973 -8.544
126 HG3 LYS 18 1HG LYS 18 -0.698 7.956 -7.580
127 HD2 LYS 18 2HD LYS 18 -0.958 5.876 -8.878
128 HD3 LYS 18 1HD LYS 18 -0.980 5.554 -7.155
129 HE2 LYS 18 2HE LYS 18 -3.462 5.470 -7.252
130 HE3 LYS 18 1HE LYS 18 -3.374 5.692 -8.997
131 HZ1 LYS 18 1HZ LYS 18 -2.188 3.431 -7.481
132 HZ2 LYS 18 2HZ LYS 18 -2.150 3.600 -9.153
133 HZ3 LYS 18 3HZ LYS 18 -3.617 3.365 -8.353
134 H ASN 19 H ASN 19 0.169 6.737 -6.121
135 HA ASN 19 HA ASN 19 2.354 7.285 -5.875
136 HB2 ASN 19 HB3 ASN 19 1.461 9.131 -3.633
137 HB3 ASN 19 HB2 ASN 19 3.144 8.882 -4.091
138 HD21 ASN 19 HD21 ASN 19 0.110 10.296 -4.977
139 HD22 ASN 19 HD22 ASN 19 0.709 11.304 -6.237
140 H TYR 20 H TYR 20 0.438 6.603 -3.188
141 HA TYR 20 HA TYR 20 2.462 4.867 -2.070
142 HB2 TYR 20 HB3 TYR 20 -0.303 5.497 -1.041
143 HB3 TYR 20 HB2 TYR 20 1.049 4.800 -0.170
144 HD1 TYR 20 1HD TYR 20 -0.478 7.878 -1.306
145 HD2 TYR 20 2HD TYR 20 2.993 6.238 0.495
146 HE1 TYR 20 1HE TYR 20 0.210 10.120 -0.618
147 HE2 TYR 20 2HE TYR 20 3.693 8.483 1.199
148 HH TYR 20 HH TYR 20 1.600 11.105 1.136
149 H THR 21 H THR 21 1.912 2.668 -1.813
150 HA THR 21 HA THR 21 -0.457 1.551 -3.037
151 HB THR 21 HB THR 21 2.292 0.841 -4.124
152 HG1 THR 21 1HG THR 21 0.608 2.849 -4.793
153 HG21 THR 21 1HG2 THR 21 0.662 -0.984 -4.303
154 HG22 THR 21 2HG2 THR 21 1.052 -0.353 -5.904
155 HG23 THR 21 3HG2 THR 21 -0.467 0.093 -5.127
156 H CYS 22 H CYS 22 -0.560 -0.749 -2.449
157 HA CYS 22 HA CYS 22 0.528 -1.473 -0.005
158 HB2 CYS 22 HB3 CYS 22 -0.362 -3.240 -2.233
159 HB3 CYS 22 HB2 CYS 22 -0.189 -3.690 -0.557
160 H SER 23 H SER 23 2.441 -2.049 0.458
161 HA SER 23 HA SER 23 4.550 -2.467 -1.408
162 HB2 SER 23 HB3 SER 23 5.000 -1.404 0.735
163 HB3 SER 23 HB2 SER 23 4.371 -2.798 1.600
164 HG SER 23 HG SER 23 6.816 -2.301 0.616
165 H ARG 24 H ARG 24 5.622 -4.442 -1.823
166 HA ARG 24 HA ARG 24 4.035 -6.803 -1.183
167 HB2 ARG 24 HB3 ARG 24 4.826 -6.450 -3.544
168 HB3 ARG 24 HB2 ARG 24 6.478 -6.609 -2.971
169 HG2 ARG 24 2HG ARG 24 5.682 -8.675 -4.023
170 HG3 ARG 24 1HG ARG 24 6.049 -8.923 -2.314
171 HD2 ARG 24 2HD ARG 24 3.678 -8.726 -1.767
172 HD3 ARG 24 1HD ARG 24 3.298 -8.440 -3.463
173 HE ARG 24 HE ARG 24 4.478 -10.806 -3.609
174 HH11 ARG 24 1HH1 ARG 24 2.116 -9.674 -1.262
175 HH12 ARG 24 2HH1 ARG 24 1.337 -11.174 -1.089
176 HH21 ARG 24 1HH2 ARG 24 3.407 -12.888 -3.391
177 HH22 ARG 24 2HH2 ARG 24 2.054 -13.029 -2.370
178 H ARG 25 H ARG 25 6.735 -5.078 -0.184
179 HA ARG 25 HA ARG 25 8.173 -7.277 0.959
180 HB2 ARG 25 HB3 ARG 25 9.294 -5.319 -0.019
181 HB3 ARG 25 HB2 ARG 25 8.506 -4.287 1.154
182 HG2 ARG 25 2HG ARG 25 10.774 -4.691 1.789
183 HG3 ARG 25 1HG ARG 25 9.638 -5.423 2.938
184 HD2 ARG 25 2HD ARG 25 9.990 -7.608 1.953
185 HD3 ARG 25 1HD ARG 25 11.025 -6.914 0.707
186 HE ARG 25 HE ARG 25 11.890 -6.473 3.417
187 HH11 ARG 25 1HH1 ARG 25 11.990 -8.707 0.702
188 HH12 ARG 25 2HH1 ARG 25 13.554 -9.300 1.044
189 HH21 ARG 25 1HH2 ARG 25 13.986 -7.300 3.937
190 HH22 ARG 25 2HH2 ARG 25 14.707 -8.492 2.948
191 H ASP 26 H ASP 26 6.577 -4.336 2.127
192 HA ASP 26 HA ASP 26 6.457 -5.370 4.845
193 HB2 ASP 26 HB3 ASP 26 5.539 -2.758 3.642
194 HB3 ASP 26 HB2 ASP 26 5.298 -3.183 5.331
195 H ARG 27 H ARG 27 4.504 -5.231 2.089
196 HA ARG 27 HA ARG 27 2.573 -5.972 1.536
197 HB2 ARG 27 HB3 ARG 27 2.519 -7.286 4.238
198 HB3 ARG 27 HB2 ARG 27 1.318 -7.489 2.960
199 HG2 ARG 27 2HG ARG 27 3.014 -8.345 1.457
200 HG3 ARG 27 1HG ARG 27 4.230 -8.153 2.723
201 HD2 ARG 27 2HD ARG 27 3.085 -9.756 4.112
202 HD3 ARG 27 1HD ARG 27 1.777 -9.877 2.934
203 HE ARG 27 HE ARG 27 4.319 -10.462 1.809
204 HH11 ARG 27 1HH1 ARG 27 1.717 -11.877 3.720
205 HH12 ARG 27 2HH1 ARG 27 2.026 -13.474 3.216
206 HH21 ARG 27 1HH2 ARG 27 4.708 -12.559 1.077
207 HH22 ARG 27 2HH2 ARG 27 3.802 -13.898 1.631
208 H TRP 28 H TRP 28 2.831 -3.487 3.438
209 HA TRP 28 HA TRP 28 -0.062 -2.983 3.230
210 HB2 TRP 28 HB3 TRP 28 0.044 -1.518 5.203
211 HB3 TRP 28 HB2 TRP 28 0.386 -3.185 5.611
212 HD1 TRP 28 HD TRP 28 2.468 0.038 4.868
213 HE1 TRP 28 1HE TRP 28 4.399 0.106 6.609
214 HE3 TRP 28 3HE TRP 28 1.567 -4.358 7.317
215 HZ2 TRP 28 2HZ TRP 28 5.380 -1.463 8.696
216 HZ3 TRP 28 3HZ TRP 28 3.038 -4.987 9.182
217 HH2 TRP 28 HH TRP 28 4.903 -3.566 9.851
218 H CYS 29 H CYS 29 -0.537 -0.588 3.297
219 HA CYS 29 HA CYS 29 0.359 0.488 0.941
220 HB2 CYS 29 HB3 CYS 29 -0.892 1.547 3.402
221 HB3 CYS 29 HB2 CYS 29 -0.713 2.523 1.929
222 H LYS 30 H LYS 30 2.328 1.458 0.520
223 HA LYS 30 HA LYS 30 3.319 3.454 2.368
224 HB2 LYS 30 HB3 LYS 30 4.940 1.141 1.399
225 HB3 LYS 30 HB2 LYS 30 5.675 2.674 1.771
226 HG2 LYS 30 2HG LYS 30 4.841 2.419 4.104
227 HG3 LYS 30 1HG LYS 30 4.229 0.818 3.656
228 HD2 LYS 30 2HD LYS 30 6.446 0.071 3.086
229 HD3 LYS 30 1HD LYS 30 7.062 1.708 3.321
230 HE2 LYS 30 2HE LYS 30 6.532 1.570 5.694
231 HE3 LYS 30 1HE LYS 30 5.904 -0.061 5.458
232 HZ1 LYS 30 1HZ LYS 30 8.725 0.771 4.982
233 HZ2 LYS 30 2HZ LYS 30 8.097 -0.792 4.790
234 HZ3 LYS 30 3HZ LYS 30 8.145 -0.088 6.314
235 H TYR 31 H TYR 31 5.138 4.690 1.296
236 HA TYR 31 HA TYR 31 4.195 5.665 -1.189
237 HB2 TYR 31 HB3 TYR 31 5.453 7.049 0.483
238 HB3 TYR 31 HB2 TYR 31 6.897 6.116 0.124
239 HD1 TYR 31 1HD TYR 31 8.192 6.564 -1.856
240 HD2 TYR 31 2HD TYR 31 4.500 8.579 -1.221
241 HE1 TYR 31 1HE TYR 31 8.730 8.107 -3.676
242 HE2 TYR 31 2HE TYR 31 5.031 10.132 -3.043
243 HH TYR 31 HH TYR 31 7.102 10.978 -4.219
244 H ASP 32 H ASP 32 4.452 4.747 -3.055
245 HA ASP 32 HA ASP 32 6.673 2.852 -3.383
246 HB2 ASP 32 HB3 ASP 32 4.415 1.807 -3.390
247 HB3 ASP 32 HB2 ASP 32 4.004 2.789 -4.792
248 H LEU 33 H LEU 33 4.508 4.619 -5.423
249 HA LEU 33 HA LEU 33 6.824 5.722 -6.873
250 HB2 LEU 33 HB3 LEU 33 4.328 4.599 -8.153
251 HB3 LEU 33 HB2 LEU 33 5.594 5.450 -9.003
252 HG LEU 33 HG LEU 33 5.901 2.788 -7.620
253 HD11 LEU 33 HD11 LEU 33 5.723 3.479 -10.548
254 HD12 LEU 33 HD12 LEU 33 4.493 2.654 -9.596
255 HD13 LEU 33 HD13 LEU 33 6.049 1.878 -9.882
256 HD21 LEU 33 HD21 LEU 33 7.815 4.364 -9.341
257 HD22 LEU 33 HD22 LEU 33 8.080 2.720 -8.762
258 HD23 LEU 33 HD23 LEU 33 7.982 4.051 -7.614
259 HN1 NH2 34 HN1 NH2 34 6.083 7.376 -5.254
260 HN2 NH2 34 HN2 NH2 34 4.917 8.529 -5.804
Start of MODEL 9
1 H1 ASP 1 1HT ASP 1 -13.605 5.391 0.800
2 H2 ASP 1 2HT ASP 1 -13.345 5.272 -0.827
3 H3 ASP 1 3HT ASP 1 -14.166 6.626 -0.239
4 HA ASP 1 HA ASP 1 -11.929 7.200 -0.834
5 HB2 ASP 1 HB3 ASP 1 -12.204 6.913 2.165
6 HB3 ASP 1 HB2 ASP 1 -10.948 7.835 1.368
7 H CYS 2 H CYS 2 -9.701 6.806 -0.665
8 HA CYS 2 HA CYS 2 -9.151 4.004 -0.298
9 HB2 CYS 2 HB3 CYS 2 -6.904 4.651 -1.133
10 HB3 CYS 2 HB2 CYS 2 -8.229 4.768 -2.282
11 H LEU 3 H LEU 3 -6.755 3.669 0.541
12 HA LEU 3 HA LEU 3 -6.911 4.411 3.329
13 HB2 LEU 3 HB3 LEU 3 -5.007 2.575 1.954
14 HB3 LEU 3 HB2 LEU 3 -5.504 2.600 3.629
15 HG LEU 3 HG LEU 3 -7.257 1.892 1.328
16 HD11 LEU 3 HD11 LEU 3 -5.821 0.138 3.355
17 HD12 LEU 3 HD12 LEU 3 -5.513 0.204 1.617
18 HD13 LEU 3 HD13 LEU 3 -7.032 -0.450 2.220
19 HD21 LEU 3 HD21 LEU 3 -8.529 2.744 3.197
20 HD22 LEU 3 HD22 LEU 3 -7.685 1.665 4.308
21 HD23 LEU 3 HD23 LEU 3 -8.765 0.999 3.080
22 H GLY 4 H GLY 4 -5.203 5.423 4.392
23 HA2 GLY 4 2HA GLY 4 -3.128 6.676 2.877
24 HA3 GLY 4 1HA GLY 4 -3.337 6.691 4.641
25 H TRP 5 H TRP 5 -0.767 6.100 3.613
26 HA TRP 5 HA TRP 5 -0.724 3.353 3.289
27 HB2 TRP 5 HB3 TRP 5 1.317 3.641 2.463
28 HB3 TRP 5 HB2 TRP 5 0.651 5.202 2.165
29 HD1 TRP 5 HD TRP 5 3.467 3.483 3.856
30 HE1 TRP 5 1HE TRP 5 5.094 5.130 4.782
31 HE3 TRP 5 3HE TRP 5 0.547 7.651 3.472
32 HZ2 TRP 5 2HZ TRP 5 5.136 7.948 5.391
33 HZ3 TRP 5 3HZ TRP 5 1.454 9.780 4.279
34 HH2 TRP 5 HH TRP 5 3.697 9.921 5.214
35 H PHE 6 H PHE 6 1.244 2.352 4.431
36 HA PHE 6 HA PHE 6 2.062 1.289 6.176
37 HB2 PHE 6 HB3 PHE 6 2.444 3.577 7.248
38 HB3 PHE 6 HB2 PHE 6 0.905 3.369 8.072
39 HD1 PHE 6 1HD PHE 6 4.359 2.158 7.800
40 HD2 PHE 6 2HD PHE 6 0.712 1.887 9.973
41 HE1 PHE 6 1HE PHE 6 5.516 0.930 9.585
42 HE2 PHE 6 2HE PHE 6 1.867 0.658 11.761
43 HZ PHE 6 HZ PHE 6 4.281 0.178 11.562
44 H LYS 7 H LYS 7 -1.224 1.947 5.799
45 HA LYS 7 HA LYS 7 -2.138 0.034 7.680
46 HB2 LYS 7 HB3 LYS 7 -3.517 1.164 5.277
47 HB3 LYS 7 HB2 LYS 7 -4.265 0.395 6.650
48 HG2 LYS 7 2HG LYS 7 -2.730 2.975 6.846
49 HG3 LYS 7 1HG LYS 7 -4.474 2.889 6.671
50 HD2 LYS 7 2HD LYS 7 -2.893 1.659 8.947
51 HD3 LYS 7 1HD LYS 7 -3.708 3.214 9.034
52 HE2 LYS 7 2HE LYS 7 -5.022 0.527 8.598
53 HE3 LYS 7 1HE LYS 7 -5.059 1.486 10.071
54 HZ1 LYS 7 1HZ LYS 7 -7.085 1.776 8.840
55 HZ2 LYS 7 2HZ LYS 7 -6.261 2.212 7.463
56 HZ3 LYS 7 3HZ LYS 7 -6.245 3.239 8.790
57 H SER 8 H SER 8 -2.765 -1.867 7.202
58 HA SER 8 HA SER 8 -1.249 -3.403 5.338
59 HB2 SER 8 HB3 SER 8 -2.020 -4.232 7.595
60 HB3 SER 8 HB2 SER 8 -3.649 -4.337 6.923
61 HG SER 8 HG SER 8 -1.498 -5.994 6.643
62 H CYS 9 H CYS 9 -1.878 -4.500 3.520
63 HA CYS 9 HA CYS 9 -4.431 -4.176 2.355
64 HB2 CYS 9 HB3 CYS 9 -3.665 -1.903 2.109
65 HB3 CYS 9 HB2 CYS 9 -2.144 -2.453 1.377
66 H ASP 10 H ASP 10 -3.964 -4.526 -0.064
67 HA ASP 10 HA ASP 10 -2.003 -6.706 -0.446
68 HB2 ASP 10 HB3 ASP 10 -4.238 -7.707 -0.100
69 HB3 ASP 10 HB2 ASP 10 -4.859 -6.736 -1.426
70 HA PRO 11 HA PRO 11 -0.900 -4.095 -3.838
71 HB2 PRO 11 HB3 PRO 11 0.454 -5.973 -5.324
72 HB3 PRO 11 HB2 PRO 11 1.132 -5.102 -3.944
73 HG2 PRO 11 2HG PRO 11 -0.057 -7.847 -4.040
74 HG3 PRO 11 1HG PRO 11 1.396 -7.283 -3.200
75 HD2 PRO 11 2HD PRO 11 -0.891 -7.684 -1.905
76 HD3 PRO 11 1HD PRO 11 0.184 -6.337 -1.472
77 H LYS 12 H LYS 12 -2.561 -7.208 -4.539
78 HA LYS 12 HA LYS 12 -3.057 -6.394 -7.227
79 HB2 LYS 12 HB3 LYS 12 -3.576 -8.818 -5.562
80 HB3 LYS 12 HB2 LYS 12 -4.320 -8.614 -7.124
81 HG2 LYS 12 2HG LYS 12 -2.397 -10.031 -7.393
82 HG3 LYS 12 1HG LYS 12 -1.992 -8.468 -8.088
83 HD2 LYS 12 2HD LYS 12 -0.748 -7.873 -6.099
84 HD3 LYS 12 1HD LYS 12 -1.201 -9.390 -5.327
85 HE2 LYS 12 2HE LYS 12 0.435 -9.100 -7.841
86 HE3 LYS 12 1HE LYS 12 1.079 -9.454 -6.241
87 HZ1 LYS 12 1HZ LYS 12 -0.209 -11.530 -6.255
88 HZ2 LYS 12 2HZ LYS 12 0.872 -11.466 -7.537
89 HZ3 LYS 12 3HZ LYS 12 -0.752 -11.194 -7.816
90 H ASN 13 H ASN 13 -4.408 -6.198 -4.159
91 HA ASN 13 HA ASN 13 -7.050 -5.463 -5.274
92 HB2 ASN 13 HB3 ASN 13 -7.001 -7.647 -3.939
93 HB3 ASN 13 HB2 ASN 13 -6.525 -6.696 -2.541
94 HD21 ASN 13 HD21 ASN 13 -8.323 -7.221 -1.372
95 HD22 ASN 13 HD22 ASN 13 -9.906 -6.642 -1.736
96 H ASP 14 H ASP 14 -5.028 -3.797 -5.179
97 HA ASP 14 HA ASP 14 -4.352 -2.418 -2.850
98 HB2 ASP 14 HB3 ASP 14 -3.186 -2.353 -4.966
99 HB3 ASP 14 HB2 ASP 14 -4.486 -1.332 -5.628
100 H LYS 15 H LYS 15 -5.285 -1.039 -1.755
101 HA LYS 15 HA LYS 15 -7.697 0.342 -2.714
102 HB2 LYS 15 HB3 LYS 15 -7.135 -0.645 0.073
103 HB3 LYS 15 HB2 LYS 15 -8.562 0.213 -0.463
104 HG2 LYS 15 2HG LYS 15 -7.711 -2.561 -1.273
105 HG3 LYS 15 1HG LYS 15 -9.017 -2.161 -0.163
106 HD2 LYS 15 2HD LYS 15 -10.212 -1.056 -2.010
107 HD3 LYS 15 1HD LYS 15 -8.896 -1.491 -3.104
108 HE2 LYS 15 2HE LYS 15 -9.293 -3.880 -2.528
109 HE3 LYS 15 1HE LYS 15 -10.706 -3.374 -1.606
110 HZ1 LYS 15 1HZ LYS 15 -11.628 -2.450 -3.659
111 HZ2 LYS 15 2HZ LYS 15 -11.353 -4.092 -3.798
112 HZ3 LYS 15 3HZ LYS 15 -10.294 -3.000 -4.519
113 H CYS 16 H CYS 16 -4.661 0.973 -2.357
114 HA CYS 16 HA CYS 16 -4.793 2.934 -0.223
115 HB2 CYS 16 HB3 CYS 16 -2.845 1.303 -0.508
116 HB3 CYS 16 HB2 CYS 16 -2.416 2.226 -1.943
117 H CYS 17 H CYS 17 -3.981 5.132 -0.699
118 HA CYS 17 HA CYS 17 -5.280 6.154 -2.935
119 HB2 CYS 17 HB3 CYS 17 -3.525 7.351 -0.813
120 HB3 CYS 17 HB2 CYS 17 -4.359 8.289 -2.047
121 H LYS 18 H LYS 18 -4.029 7.973 -4.096
122 HA LYS 18 HA LYS 18 -2.297 6.826 -5.932
123 HB2 LYS 18 HB3 LYS 18 -3.895 8.679 -6.290
124 HB3 LYS 18 HB2 LYS 18 -2.809 9.716 -5.372
125 HG2 LYS 18 2HG LYS 18 -1.081 9.468 -6.989
126 HG3 LYS 18 1HG LYS 18 -1.996 8.230 -7.850
127 HD2 LYS 18 2HD LYS 18 -2.208 10.277 -9.026
128 HD3 LYS 18 1HD LYS 18 -3.729 9.819 -8.224
129 HE2 LYS 18 2HE LYS 18 -3.356 11.426 -6.463
130 HE3 LYS 18 1HE LYS 18 -1.758 11.808 -7.095
131 HZ1 LYS 18 1HZ LYS 18 -4.338 12.365 -8.445
132 HZ2 LYS 18 2HZ LYS 18 -2.811 12.765 -9.048
133 HZ3 LYS 18 3HZ LYS 18 -3.382 13.485 -7.637
134 H ASN 19 H ASN 19 -0.219 7.411 -6.305
135 HA ASN 19 HA ASN 19 1.983 7.942 -5.983
136 HB2 ASN 19 HB3 ASN 19 1.432 10.155 -5.164
137 HB3 ASN 19 HB2 ASN 19 0.975 9.513 -3.597
138 HD21 ASN 19 HD21 ASN 19 2.531 9.235 -2.049
139 HD22 ASN 19 HD22 ASN 19 4.170 9.695 -2.265
140 H TYR 20 H TYR 20 0.247 6.600 -3.432
141 HA TYR 20 HA TYR 20 2.567 5.149 -2.482
142 HB2 TYR 20 HB3 TYR 20 -0.240 5.424 -1.414
143 HB3 TYR 20 HB2 TYR 20 1.072 4.550 -0.644
144 HD1 TYR 20 1HD TYR 20 -0.496 7.748 -1.070
145 HD2 TYR 20 2HD TYR 20 3.139 5.864 0.066
146 HE1 TYR 20 1HE TYR 20 0.231 9.816 -0.004
147 HE2 TYR 20 2HE TYR 20 3.880 7.929 1.146
148 HH TYR 20 HH TYR 20 1.772 10.557 1.700
149 H THR 21 H THR 21 1.956 2.761 -1.982
150 HA THR 21 HA THR 21 -0.025 1.600 -3.751
151 HB THR 21 HB THR 21 2.822 0.700 -3.948
152 HG1 THR 21 1HG THR 21 1.513 2.803 -5.206
153 HG21 THR 21 1HG2 THR 21 0.446 0.320 -5.769
154 HG22 THR 21 2HG2 THR 21 1.092 -0.868 -4.639
155 HG23 THR 21 3HG2 THR 21 2.052 -0.366 -6.030
156 H CYS 22 H CYS 22 -0.561 -0.477 -2.983
157 HA CYS 22 HA CYS 22 0.295 -1.152 -0.376
158 HB2 CYS 22 HB3 CYS 22 -1.223 -2.737 -2.381
159 HB3 CYS 22 HB2 CYS 22 -1.142 -3.049 -0.665
160 H SER 23 H SER 23 1.981 -2.271 0.121
161 HA SER 23 HA SER 23 3.669 -3.311 -1.980
162 HB2 SER 23 HB3 SER 23 4.699 -1.826 -0.299
163 HB3 SER 23 HB2 SER 23 4.210 -2.921 0.984
164 HG SER 23 HG SER 23 6.369 -2.981 -0.621
165 H ARG 24 H ARG 24 4.497 -5.409 -1.955
166 HA ARG 24 HA ARG 24 2.720 -7.316 -0.680
167 HB2 ARG 24 HB3 ARG 24 3.281 -7.627 -3.107
168 HB3 ARG 24 HB2 ARG 24 4.954 -7.817 -2.656
169 HG2 ARG 24 2HG ARG 24 3.898 -9.969 -3.107
170 HG3 ARG 24 1HG ARG 24 4.471 -9.846 -1.445
171 HD2 ARG 24 2HD ARG 24 2.182 -9.339 -0.698
172 HD3 ARG 24 1HD ARG 24 1.613 -9.470 -2.362
173 HE ARG 24 HE ARG 24 2.910 -11.822 -1.794
174 HH11 ARG 24 1HH1 ARG 24 0.060 -10.126 -0.484
175 HH12 ARG 24 2HH1 ARG 24 -0.712 -11.543 0.013
176 HH21 ARG 24 1HH2 ARG 24 1.825 -13.740 -1.151
177 HH22 ARG 24 2HH2 ARG 24 0.304 -13.680 -0.392
178 H ARG 25 H ARG 25 5.895 -6.088 -0.462
179 HA ARG 25 HA ARG 25 7.067 -8.213 1.008
180 HB2 ARG 25 HB3 ARG 25 8.305 -6.451 -0.288
181 HB3 ARG 25 HB2 ARG 25 7.884 -5.315 0.990
182 HG2 ARG 25 2HG ARG 25 8.948 -6.950 2.571
183 HG3 ARG 25 1HG ARG 25 9.607 -7.734 1.130
184 HD2 ARG 25 2HD ARG 25 11.287 -6.231 1.926
185 HD3 ARG 25 1HD ARG 25 10.572 -5.499 0.491
186 HE ARG 25 HE ARG 25 9.103 -4.349 2.383
187 HH11 ARG 25 1HH1 ARG 25 12.604 -4.656 2.093
188 HH12 ARG 25 2HH1 ARG 25 12.951 -3.408 3.195
189 HH21 ARG 25 1HH2 ARG 25 9.541 -2.732 3.943
190 HH22 ARG 25 2HH2 ARG 25 11.159 -2.300 4.314
191 H ASP 26 H ASP 26 6.103 -4.948 1.935
192 HA ASP 26 HA ASP 26 6.356 -5.485 4.736
193 HB2 ASP 26 HB3 ASP 26 5.179 -3.113 3.270
194 HB3 ASP 26 HB2 ASP 26 5.531 -3.168 4.992
195 H ARG 27 H ARG 27 3.935 -5.830 2.398
196 HA ARG 27 HA ARG 27 1.874 -6.537 2.333
197 HB2 ARG 27 HB3 ARG 27 2.144 -7.066 5.294
198 HB3 ARG 27 HB2 ARG 27 0.876 -7.649 4.210
199 HG2 ARG 27 2HG ARG 27 2.432 -9.003 2.992
200 HG3 ARG 27 1HG ARG 27 3.789 -8.335 3.902
201 HD2 ARG 27 2HD ARG 27 3.217 -10.533 4.750
202 HD3 ARG 27 1HD ARG 27 2.856 -9.300 5.958
203 HE ARG 27 HE ARG 27 0.743 -10.272 4.205
204 HH11 ARG 27 1HH1 ARG 27 2.110 -10.087 7.463
205 HH12 ARG 27 2HH1 ARG 27 0.692 -10.637 8.224
206 HH21 ARG 27 1HH2 ARG 27 -1.160 -11.003 5.234
207 HH22 ARG 27 2HH2 ARG 27 -1.225 -11.168 6.934
208 H TRP 28 H TRP 28 2.750 -3.784 3.431
209 HA TRP 28 HA TRP 28 0.034 -2.931 3.573
210 HB2 TRP 28 HB3 TRP 28 0.629 -1.137 5.248
211 HB3 TRP 28 HB2 TRP 28 0.512 -2.760 5.866
212 HD1 TRP 28 HD TRP 28 3.375 -0.310 4.820
213 HE1 TRP 28 1HE TRP 28 5.268 -0.630 6.637
214 HE3 TRP 28 3HE TRP 28 1.336 -4.086 7.563
215 HZ2 TRP 28 2HZ TRP 28 5.772 -2.234 8.835
216 HZ3 TRP 28 3HZ TRP 28 2.559 -4.945 9.493
217 HH2 TRP 28 HH TRP 28 4.742 -4.041 10.116
218 H CYS 29 H CYS 29 -0.130 -0.539 3.232
219 HA CYS 29 HA CYS 29 1.190 -0.104 0.767
220 HB2 CYS 29 HB3 CYS 29 -1.127 0.524 0.968
221 HB3 CYS 29 HB2 CYS 29 -0.757 1.602 2.311
222 H LYS 30 H LYS 30 2.673 1.272 0.213
223 HA LYS 30 HA LYS 30 3.680 3.247 2.036
224 HB2 LYS 30 HB3 LYS 30 5.311 0.941 1.040
225 HB3 LYS 30 HB2 LYS 30 6.035 2.475 1.445
226 HG2 LYS 30 2HG LYS 30 5.149 2.193 3.754
227 HG3 LYS 30 1HG LYS 30 4.544 0.603 3.265
228 HD2 LYS 30 2HD LYS 30 6.714 -0.211 2.882
229 HD3 LYS 30 1HD LYS 30 7.420 1.402 2.985
230 HE2 LYS 30 2HE LYS 30 6.736 1.509 5.352
231 HE3 LYS 30 1HE LYS 30 6.106 -0.130 5.204
232 HZ1 LYS 30 1HZ LYS 30 8.368 0.048 6.180
233 HZ2 LYS 30 2HZ LYS 30 8.934 0.538 4.660
234 HZ3 LYS 30 3HZ LYS 30 8.224 -0.982 4.865
235 H TYR 31 H TYR 31 5.573 4.351 0.856
236 HA TYR 31 HA TYR 31 4.529 5.353 -1.572
237 HB2 TYR 31 HB3 TYR 31 5.798 6.780 -0.056
238 HB3 TYR 31 HB2 TYR 31 7.197 5.728 -0.206
239 HD1 TYR 31 1HD TYR 31 4.944 7.815 -2.283
240 HD2 TYR 31 2HD TYR 31 8.858 6.279 -1.745
241 HE1 TYR 31 1HE TYR 31 5.716 9.152 -4.155
242 HE2 TYR 31 2HE TYR 31 9.656 7.618 -3.631
243 HH TYR 31 HH TYR 31 8.651 8.645 -5.672
244 H ASP 32 H ASP 32 4.653 4.329 -3.433
245 HA ASP 32 HA ASP 32 7.169 3.032 -4.148
246 HB2 ASP 32 HB3 ASP 32 5.541 1.235 -3.525
247 HB3 ASP 32 HB2 ASP 32 4.458 1.832 -4.774
248 H LEU 33 H LEU 33 4.152 3.338 -5.825
249 HA LEU 33 HA LEU 33 5.094 5.582 -7.351
250 HB2 LEU 33 HB3 LEU 33 6.243 3.763 -8.519
251 HB3 LEU 33 HB2 LEU 33 4.730 2.928 -8.770
252 HG LEU 33 HG LEU 33 3.975 4.778 -10.229
253 HD11 LEU 33 HD11 LEU 33 5.275 6.593 -9.281
254 HD12 LEU 33 HD12 LEU 33 5.603 6.431 -11.005
255 HD13 LEU 33 HD13 LEU 33 6.768 5.830 -9.827
256 HD21 LEU 33 HD21 LEU 33 5.443 4.253 -12.108
257 HD22 LEU 33 HD22 LEU 33 5.033 2.803 -11.190
258 HD23 LEU 33 HD23 LEU 33 6.619 3.550 -10.999
259 HN1 NH2 34 HN1 NH2 34 2.829 3.107 -8.413
260 HN2 NH2 34 HN2 NH2 34 1.412 4.079 -8.272
Start of MODEL 10
1 H1 ASP 1 1HT ASP 1 -14.094 7.058 -0.531
2 H2 ASP 1 2HT ASP 1 -13.356 5.720 0.242
3 H3 ASP 1 3HT ASP 1 -13.138 5.957 -1.401
4 HA ASP 1 HA ASP 1 -11.851 7.917 -1.035
5 HB2 ASP 1 HB3 ASP 1 -12.259 7.301 1.908
6 HB3 ASP 1 HB2 ASP 1 -11.219 8.556 1.251
7 H CYS 2 H CYS 2 -9.602 7.666 -0.730
8 HA CYS 2 HA CYS 2 -8.951 4.860 -0.542
9 HB2 CYS 2 HB3 CYS 2 -6.755 5.581 -1.199
10 HB3 CYS 2 HB2 CYS 2 -7.996 5.832 -2.422
11 H LEU 3 H LEU 3 -6.700 4.465 0.391
12 HA LEU 3 HA LEU 3 -6.798 5.325 3.165
13 HB2 LEU 3 HB3 LEU 3 -5.248 3.107 1.926
14 HB3 LEU 3 HB2 LEU 3 -5.785 3.310 3.577
15 HG LEU 3 HG LEU 3 -7.590 2.857 1.263
16 HD11 LEU 3 HD11 LEU 3 -6.145 0.882 1.617
17 HD12 LEU 3 HD12 LEU 3 -7.774 0.498 2.158
18 HD13 LEU 3 HD13 LEU 3 -6.523 0.882 3.338
19 HD21 LEU 3 HD21 LEU 3 -8.077 2.730 4.246
20 HD22 LEU 3 HD22 LEU 3 -9.249 2.248 3.020
21 HD23 LEU 3 HD23 LEU 3 -8.714 3.928 3.115
22 H GLY 4 H GLY 4 -4.869 6.040 4.142
23 HA2 GLY 4 2HA GLY 4 -2.656 6.788 2.478
24 HA3 GLY 4 1HA GLY 4 -2.799 6.997 4.234
25 H TRP 5 H TRP 5 -0.381 5.908 3.604
26 HA TRP 5 HA TRP 5 -0.787 3.194 3.278
27 HB2 TRP 5 HB3 TRP 5 1.336 3.105 2.664
28 HB3 TRP 5 HB2 TRP 5 0.948 4.729 2.244
29 HD1 TRP 5 HD TRP 5 3.315 2.685 4.158
30 HE1 TRP 5 1HE TRP 5 5.154 4.102 5.130
31 HE3 TRP 5 3HE TRP 5 1.141 7.249 3.488
32 HZ2 TRP 5 2HZ TRP 5 5.618 6.897 5.645
33 HZ3 TRP 5 3HZ TRP 5 2.336 9.239 4.269
34 HH2 TRP 5 HH TRP 5 4.529 9.062 5.324
35 H PHE 6 H PHE 6 1.012 1.946 4.694
36 HA PHE 6 HA PHE 6 1.378 0.830 6.557
37 HB2 PHE 6 HB3 PHE 6 0.156 3.193 7.985
38 HB3 PHE 6 HB2 PHE 6 0.533 1.685 8.805
39 HD1 PHE 6 1HD PHE 6 1.850 4.775 7.478
40 HD2 PHE 6 2HD PHE 6 2.882 0.925 8.961
41 HE1 PHE 6 1HE PHE 6 4.153 5.544 7.873
42 HE2 PHE 6 2HE PHE 6 5.175 1.676 9.355
43 HZ PHE 6 HZ PHE 6 5.822 4.002 8.813
44 H LYS 7 H LYS 7 -1.677 1.618 5.403
45 HA LYS 7 HA LYS 7 -3.168 -0.035 7.096
46 HB2 LYS 7 HB3 LYS 7 -3.735 1.077 4.362
47 HB3 LYS 7 HB2 LYS 7 -4.908 0.322 5.425
48 HG2 LYS 7 2HG LYS 7 -3.364 2.812 6.074
49 HG3 LYS 7 1HG LYS 7 -5.005 2.792 5.449
50 HD2 LYS 7 2HD LYS 7 -5.689 1.480 7.454
51 HD3 LYS 7 1HD LYS 7 -4.039 1.616 8.065
52 HE2 LYS 7 2HE LYS 7 -4.269 4.066 8.053
53 HE3 LYS 7 1HE LYS 7 -5.935 3.886 7.508
54 HZ1 LYS 7 1HZ LYS 7 -6.391 2.633 9.557
55 HZ2 LYS 7 2HZ LYS 7 -5.908 4.204 9.849
56 HZ3 LYS 7 3HZ LYS 7 -4.818 2.944 10.095
57 H SER 8 H SER 8 -4.170 -1.837 6.430
58 HA SER 8 HA SER 8 -2.481 -3.764 5.207
59 HB2 SER 8 HB3 SER 8 -5.211 -3.966 6.428
60 HB3 SER 8 HB2 SER 8 -4.062 -5.276 6.142
61 HG SER 8 HG SER 8 -4.279 -3.735 8.253
62 H CYS 9 H CYS 9 -2.682 -4.446 3.114
63 HA CYS 9 HA CYS 9 -5.150 -4.752 1.874
64 HB2 CYS 9 HB3 CYS 9 -4.436 -3.405 -0.070
65 HB3 CYS 9 HB2 CYS 9 -4.977 -2.446 1.301
66 H ASP 10 H ASP 10 -4.386 -5.219 -0.578
67 HA ASP 10 HA ASP 10 -2.033 -6.999 -0.407
68 HB2 ASP 10 HB3 ASP 10 -4.213 -8.277 -0.452
69 HB3 ASP 10 HB2 ASP 10 -4.583 -7.503 -1.984
70 HA PRO 11 HA PRO 11 -0.626 -4.520 -3.872
71 HB2 PRO 11 HB3 PRO 11 0.764 -6.537 -5.224
72 HB3 PRO 11 HB2 PRO 11 1.420 -5.540 -3.920
73 HG2 PRO 11 2HG PRO 11 0.233 -8.264 -3.787
74 HG3 PRO 11 1HG PRO 11 1.668 -7.619 -2.966
75 HD2 PRO 11 2HD PRO 11 -0.614 -7.917 -1.664
76 HD3 PRO 11 1HD PRO 11 0.383 -6.471 -1.391
77 H LYS 12 H LYS 12 -2.469 -7.535 -4.442
78 HA LYS 12 HA LYS 12 -3.020 -6.796 -7.138
79 HB2 LYS 12 HB3 LYS 12 -2.920 -9.174 -6.185
80 HB3 LYS 12 HB2 LYS 12 -4.478 -8.830 -5.457
81 HG2 LYS 12 2HG LYS 12 -4.857 -10.003 -7.495
82 HG3 LYS 12 1HG LYS 12 -5.345 -8.317 -7.729
83 HD2 LYS 12 2HD LYS 12 -3.077 -7.880 -8.631
84 HD3 LYS 12 1HD LYS 12 -2.776 -9.598 -8.568
85 HE2 LYS 12 2HE LYS 12 -4.948 -8.248 -10.185
86 HE3 LYS 12 1HE LYS 12 -3.448 -8.906 -10.825
87 HZ1 LYS 12 1HZ LYS 12 -5.632 -10.463 -9.540
88 HZ2 LYS 12 2HZ LYS 12 -4.182 -11.114 -10.117
89 HZ3 LYS 12 3HZ LYS 12 -5.268 -10.395 -11.180
90 H ASN 13 H ASN 13 -4.299 -6.231 -4.019
91 HA ASN 13 HA ASN 13 -6.693 -5.033 -5.175
92 HB2 ASN 13 HB3 ASN 13 -7.239 -7.257 -4.130
93 HB3 ASN 13 HB2 ASN 13 -6.697 -6.604 -2.589
94 HD21 ASN 13 HD21 ASN 13 -9.114 -6.444 -5.065
95 HD22 ASN 13 HD22 ASN 13 -10.297 -5.615 -4.134
96 H ASP 14 H ASP 14 -5.431 -3.221 -5.081
97 HA ASP 14 HA ASP 14 -4.529 -2.142 -2.529
98 HB2 ASP 14 HB3 ASP 14 -3.166 -2.006 -4.586
99 HB3 ASP 14 HB2 ASP 14 -4.417 -0.975 -5.297
100 H LYS 15 H LYS 15 -5.394 -0.382 -1.622
101 HA LYS 15 HA LYS 15 -7.797 0.812 -2.791
102 HB2 LYS 15 HB3 LYS 15 -7.443 -0.241 0.003
103 HB3 LYS 15 HB2 LYS 15 -8.770 0.780 -0.515
104 HG2 LYS 15 2HG LYS 15 -9.501 -0.963 -2.071
105 HG3 LYS 15 1HG LYS 15 -8.129 -1.963 -1.594
106 HD2 LYS 15 2HD LYS 15 -9.000 -2.013 0.709
107 HD3 LYS 15 1HD LYS 15 -10.393 -1.066 0.182
108 HE2 LYS 15 2HE LYS 15 -11.019 -2.833 -1.376
109 HE3 LYS 15 1HE LYS 15 -9.615 -3.772 -0.892
110 HZ1 LYS 15 1HZ LYS 15 -10.554 -3.899 1.351
111 HZ2 LYS 15 2HZ LYS 15 -11.584 -4.569 0.209
112 HZ3 LYS 15 3HZ LYS 15 -11.920 -3.055 0.844
113 H CYS 16 H CYS 16 -4.838 1.498 -2.217
114 HA CYS 16 HA CYS 16 -5.074 3.579 -0.231
115 HB2 CYS 16 HB3 CYS 16 -2.739 2.603 -1.869
116 HB3 CYS 16 HB2 CYS 16 -2.666 3.824 -0.598
117 H CYS 17 H CYS 17 -3.987 5.709 -0.842
118 HA CYS 17 HA CYS 17 -5.210 6.740 -3.140
119 HB2 CYS 17 HB3 CYS 17 -3.183 7.903 -1.219
120 HB3 CYS 17 HB2 CYS 17 -4.138 8.801 -2.388
121 H LYS 18 H LYS 18 -3.493 8.318 -4.372
122 HA LYS 18 HA LYS 18 -2.079 6.545 -6.000
123 HB2 LYS 18 HB3 LYS 18 -3.185 8.635 -6.738
124 HB3 LYS 18 HB2 LYS 18 -1.953 9.560 -5.897
125 HG2 LYS 18 2HG LYS 18 -1.487 9.508 -8.268
126 HG3 LYS 18 1HG LYS 18 -0.249 8.608 -7.396
127 HD2 LYS 18 2HD LYS 18 -0.897 7.420 -9.413
128 HD3 LYS 18 1HD LYS 18 -1.377 6.498 -7.997
129 HE2 LYS 18 2HE LYS 18 -3.115 6.481 -9.730
130 HE3 LYS 18 1HE LYS 18 -3.691 7.275 -8.268
131 HZ1 LYS 18 1HZ LYS 18 -4.287 8.452 -10.334
132 HZ2 LYS 18 2HZ LYS 18 -2.664 8.716 -10.669
133 HZ3 LYS 18 3HZ LYS 18 -3.375 9.409 -9.321
134 H ASN 19 H ASN 19 0.001 6.418 -6.313
135 HA ASN 19 HA ASN 19 2.237 6.336 -6.055
136 HB2 ASN 19 HB3 ASN 19 1.924 8.518 -3.994
137 HB3 ASN 19 HB2 ASN 19 3.470 7.816 -4.462
138 HD21 ASN 19 HD21 ASN 19 0.919 9.936 -5.340
139 HD22 ASN 19 HD22 ASN 19 1.627 10.559 -6.770
140 H TYR 20 H TYR 20 0.251 6.044 -3.346
141 HA TYR 20 HA TYR 20 2.099 4.316 -1.997
142 HB2 TYR 20 HB3 TYR 20 -0.860 4.563 -1.483
143 HB3 TYR 20 HB2 TYR 20 0.411 3.983 -0.423
144 HD1 TYR 20 1HD TYR 20 2.190 5.655 0.338
145 HD2 TYR 20 2HD TYR 20 -1.528 6.779 -1.326
146 HE1 TYR 20 1HE TYR 20 2.414 7.868 1.367
147 HE2 TYR 20 2HE TYR 20 -1.325 9.018 -0.305
148 HH TYR 20 HH TYR 20 1.572 10.145 1.016
149 H THR 21 H THR 21 1.868 2.133 -1.898
150 HA THR 21 HA THR 21 -0.201 0.742 -3.357
151 HB THR 21 HB THR 21 2.677 0.188 -4.005
152 HG1 THR 21 1HG THR 21 0.928 2.052 -5.042
153 HG21 THR 21 1HG2 THR 21 1.731 -1.076 -5.912
154 HG22 THR 21 2HG2 THR 21 0.108 -0.668 -5.360
155 HG23 THR 21 3HG2 THR 21 1.151 -1.675 -4.360
156 H CYS 22 H CYS 22 -0.391 -1.280 -2.568
157 HA CYS 22 HA CYS 22 0.678 -1.969 -0.059
158 HB2 CYS 22 HB3 CYS 22 -0.510 -3.834 -2.038
159 HB3 CYS 22 HB2 CYS 22 -0.565 -3.893 -0.286
160 H SER 23 H SER 23 2.436 -2.821 0.477
161 HA SER 23 HA SER 23 4.417 -3.665 -1.445
162 HB2 SER 23 HB3 SER 23 5.010 -2.152 0.427
163 HB3 SER 23 HB2 SER 23 4.424 -3.332 1.581
164 HG SER 23 HG SER 23 6.706 -3.409 1.401
165 H ARG 24 H ARG 24 4.850 -5.844 -1.797
166 HA ARG 24 HA ARG 24 3.330 -7.762 -0.320
167 HB2 ARG 24 HB3 ARG 24 3.669 -8.278 -2.663
168 HB3 ARG 24 HB2 ARG 24 5.409 -8.113 -2.502
169 HG2 ARG 24 2HG ARG 24 4.689 -10.472 -2.709
170 HG3 ARG 24 1HG ARG 24 5.533 -10.149 -1.198
171 HD2 ARG 24 2HD ARG 24 3.631 -11.579 -0.755
172 HD3 ARG 24 1HD ARG 24 3.335 -9.993 -0.052
173 HE ARG 24 HE ARG 24 2.270 -10.496 -2.694
174 HH11 ARG 24 1HH1 ARG 24 1.570 -10.225 0.796
175 HH12 ARG 24 2HH1 ARG 24 -0.115 -10.215 0.589
176 HH21 ARG 24 1HH2 ARG 24 -0.048 -10.533 -2.933
177 HH22 ARG 24 2HH2 ARG 24 -1.070 -10.380 -1.593
178 H ARG 25 H ARG 25 6.430 -6.413 -0.353
179 HA ARG 25 HA ARG 25 7.970 -8.242 1.103
180 HB2 ARG 25 HB3 ARG 25 8.860 -6.398 -0.219
181 HB3 ARG 25 HB2 ARG 25 8.109 -5.248 0.863
182 HG2 ARG 25 2HG ARG 25 9.501 -6.028 2.675
183 HG3 ARG 25 1HG ARG 25 10.283 -7.170 1.572
184 HD2 ARG 25 2HD ARG 25 11.073 -5.335 0.195
185 HD3 ARG 25 1HD ARG 25 10.239 -4.175 1.227
186 HE ARG 25 HE ARG 25 12.071 -5.829 2.639
187 HH11 ARG 25 1HH1 ARG 25 11.838 -2.913 0.653
188 HH12 ARG 25 2HH1 ARG 25 13.177 -2.128 1.322
189 HH21 ARG 25 1HH2 ARG 25 13.973 -4.777 3.561
190 HH22 ARG 25 2HH2 ARG 25 14.431 -3.221 3.054
191 H ASP 26 H ASP 26 6.317 -5.315 2.098
192 HA ASP 26 HA ASP 26 6.709 -5.926 4.932
193 HB2 ASP 26 HB3 ASP 26 5.379 -3.529 3.665
194 HB3 ASP 26 HB2 ASP 26 5.871 -3.688 5.346
195 H ARG 27 H ARG 27 4.347 -6.213 2.513
196 HA ARG 27 HA ARG 27 2.376 -7.050 2.368
197 HB2 ARG 27 HB3 ARG 27 2.575 -7.715 5.297
198 HB3 ARG 27 HB2 ARG 27 1.329 -8.255 4.168
199 HG2 ARG 27 2HG ARG 27 2.976 -9.449 2.858
200 HG3 ARG 27 1HG ARG 27 4.262 -8.872 3.914
201 HD2 ARG 27 2HD ARG 27 1.969 -10.661 4.710
202 HD3 ARG 27 1HD ARG 27 3.641 -11.160 4.457
203 HE ARG 27 HE ARG 27 3.622 -9.138 6.357
204 HH11 ARG 27 1HH1 ARG 27 2.649 -12.518 6.026
205 HH12 ARG 27 2HH1 ARG 27 2.633 -12.845 7.687
206 HH21 ARG 27 1HH2 ARG 27 3.558 -9.540 8.655
207 HH22 ARG 27 2HH2 ARG 27 3.165 -11.086 9.244
208 H TRP 28 H TRP 28 2.936 -4.252 3.782
209 HA TRP 28 HA TRP 28 0.073 -3.719 3.841
210 HB2 TRP 28 HB3 TRP 28 0.361 -1.972 5.555
211 HB3 TRP 28 HB2 TRP 28 0.878 -3.532 6.158
212 HD1 TRP 28 HD TRP 28 2.489 -0.299 4.732
213 HE1 TRP 28 1HE TRP 28 4.719 0.088 5.944
214 HE3 TRP 28 3HE TRP 28 2.576 -4.504 7.615
215 HZ2 TRP 28 2HZ TRP 28 6.298 -1.204 7.871
216 HZ3 TRP 28 3HZ TRP 28 4.481 -4.851 9.125
217 HH2 TRP 28 HH TRP 28 6.304 -3.234 9.247
218 H CYS 29 H CYS 29 -0.337 -1.290 3.533
219 HA CYS 29 HA CYS 29 0.620 -0.551 0.993
220 HB2 CYS 29 HB3 CYS 29 -1.613 -0.102 1.953
221 HB3 CYS 29 HB2 CYS 29 -0.829 1.053 3.039
222 H LYS 30 H LYS 30 2.185 0.752 0.430
223 HA LYS 30 HA LYS 30 3.403 2.552 2.363
224 HB2 LYS 30 HB3 LYS 30 4.903 0.458 0.853
225 HB3 LYS 30 HB2 LYS 30 5.636 1.894 1.514
226 HG2 LYS 30 2HG LYS 30 5.028 1.187 3.751
227 HG3 LYS 30 1HG LYS 30 4.188 -0.217 3.094
228 HD2 LYS 30 2HD LYS 30 6.374 -0.859 3.917
229 HD3 LYS 30 1HD LYS 30 6.301 -1.038 2.170
230 HE2 LYS 30 2HE LYS 30 8.420 -0.077 2.815
231 HE3 LYS 30 1HE LYS 30 7.493 1.118 1.923
232 HZ1 LYS 30 1HZ LYS 30 8.547 2.091 3.831
233 HZ2 LYS 30 2HZ LYS 30 7.824 0.969 4.863
234 HZ3 LYS 30 3HZ LYS 30 6.877 2.114 4.067
235 H TYR 31 H TYR 31 4.787 4.092 1.478
236 HA TYR 31 HA TYR 31 3.946 4.988 -1.144
237 HB2 TYR 31 HB3 TYR 31 4.153 6.608 0.744
238 HB3 TYR 31 HB2 TYR 31 5.853 6.197 0.887
239 HD1 TYR 31 1HD TYR 31 7.488 7.221 -0.538
240 HD2 TYR 31 2HD TYR 31 3.342 7.803 -1.295
241 HE1 TYR 31 1HE TYR 31 8.033 8.996 -2.140
242 HE2 TYR 31 2HE TYR 31 3.878 9.567 -2.896
243 HH TYR 31 HH TYR 31 5.703 11.151 -3.361
244 H ASP 32 H ASP 32 5.016 4.168 -2.833
245 HA ASP 32 HA ASP 32 7.866 4.051 -2.792
246 HB2 ASP 32 HB3 ASP 32 7.145 1.911 -1.784
247 HB3 ASP 32 HB2 ASP 32 6.245 1.556 -3.246
248 H LEU 33 H LEU 33 7.794 5.450 -4.392
249 HA LEU 33 HA LEU 33 7.094 4.463 -7.018
250 HB2 LEU 33 HB3 LEU 33 5.086 5.737 -5.991
251 HB3 LEU 33 HB2 LEU 33 6.081 7.165 -6.080
252 HG LEU 33 HG LEU 33 4.425 7.064 -7.886
253 HD11 LEU 33 HD11 LEU 33 6.447 8.280 -8.370
254 HD12 LEU 33 HD12 LEU 33 5.849 7.472 -9.819
255 HD13 LEU 33 HD13 LEU 33 7.225 6.804 -8.941
256 HD21 LEU 33 HD21 LEU 33 5.859 4.571 -8.779
257 HD22 LEU 33 HD22 LEU 33 4.586 5.406 -9.669
258 HD23 LEU 33 HD23 LEU 33 4.229 4.662 -8.112
259 HN1 NH2 34 HN1 NH2 34 9.249 4.500 -7.462
260 HN2 NH2 34 HN2 NH2 34 10.248 5.910 -7.435
Start of MODEL 11
1 H1 ASP 1 1HT ASP 1 -13.066 6.815 -1.093
2 H2 ASP 1 2HT ASP 1 -13.792 7.849 0.061
3 H3 ASP 1 3HT ASP 1 -13.447 6.244 0.431
4 HA ASP 1 HA ASP 1 -11.362 8.212 -0.196
5 HB2 ASP 1 HB3 ASP 1 -12.224 7.041 2.462
6 HB3 ASP 1 HB2 ASP 1 -10.797 8.035 2.203
7 H CYS 2 H CYS 2 -9.283 7.326 0.343
8 HA CYS 2 HA CYS 2 -9.282 4.429 0.061
9 HB2 CYS 2 HB3 CYS 2 -6.918 4.900 -0.713
10 HB3 CYS 2 HB2 CYS 2 -8.243 5.165 -1.837
11 H LEU 3 H LEU 3 -6.999 3.609 0.858
12 HA LEU 3 HA LEU 3 -6.948 4.187 3.672
13 HB2 LEU 3 HB3 LEU 3 -5.097 2.412 2.137
14 HB3 LEU 3 HB2 LEU 3 -5.644 2.296 3.791
15 HG LEU 3 HG LEU 3 -7.395 1.880 1.427
16 HD11 LEU 3 HD11 LEU 3 -7.158 -0.571 1.978
17 HD12 LEU 3 HD12 LEU 3 -5.887 -0.147 3.132
18 HD13 LEU 3 HD13 LEU 3 -5.673 0.176 1.409
19 HD21 LEU 3 HD21 LEU 3 -8.889 0.761 3.060
20 HD22 LEU 3 HD22 LEU 3 -8.618 2.461 3.442
21 HD23 LEU 3 HD23 LEU 3 -7.775 1.207 4.354
22 H GLY 4 H GLY 4 -5.103 5.071 4.707
23 HA2 GLY 4 2HA GLY 4 -3.204 6.476 3.086
24 HA3 GLY 4 1HA GLY 4 -3.212 6.349 4.855
25 H TRP 5 H TRP 5 -0.705 5.902 4.013
26 HA TRP 5 HA TRP 5 -0.584 3.237 3.265
27 HB2 TRP 5 HB3 TRP 5 1.526 3.647 2.731
28 HB3 TRP 5 HB2 TRP 5 0.893 5.244 2.600
29 HD1 TRP 5 HD TRP 5 3.537 3.300 4.262
30 HE1 TRP 5 1HE TRP 5 4.971 4.744 5.684
31 HE3 TRP 5 3HE TRP 5 0.551 7.406 4.330
32 HZ2 TRP 5 2HZ TRP 5 4.855 7.388 6.810
33 HZ3 TRP 5 3HZ TRP 5 1.273 9.365 5.633
34 HH2 TRP 5 HH TRP 5 3.387 9.347 6.849
35 H PHE 6 H PHE 6 1.063 1.954 4.548
36 HA PHE 6 HA PHE 6 1.436 0.622 6.251
37 HB2 PHE 6 HB3 PHE 6 0.511 2.919 7.966
38 HB3 PHE 6 HB2 PHE 6 0.825 1.318 8.631
39 HD1 PHE 6 1HD PHE 6 3.145 0.327 7.634
40 HD2 PHE 6 2HD PHE 6 2.233 4.424 8.297
41 HE1 PHE 6 1HE PHE 6 5.529 0.812 7.847
42 HE2 PHE 6 2HE PHE 6 4.630 4.918 8.503
43 HZ PHE 6 HZ PHE 6 6.287 3.089 8.275
44 H LYS 7 H LYS 7 -1.580 1.621 5.320
45 HA LYS 7 HA LYS 7 -2.985 -0.241 6.915
46 HB2 LYS 7 HB3 LYS 7 -3.839 1.237 4.454
47 HB3 LYS 7 HB2 LYS 7 -4.875 0.480 5.649
48 HG2 LYS 7 2HG LYS 7 -3.091 2.845 6.129
49 HG3 LYS 7 1HG LYS 7 -4.832 2.905 5.926
50 HD2 LYS 7 2HD LYS 7 -5.044 1.463 7.949
51 HD3 LYS 7 1HD LYS 7 -3.295 1.530 8.138
52 HE2 LYS 7 2HE LYS 7 -3.455 4.003 8.312
53 HE3 LYS 7 1HE LYS 7 -5.209 3.852 8.261
54 HZ1 LYS 7 1HZ LYS 7 -4.433 4.021 10.536
55 HZ2 LYS 7 2HZ LYS 7 -3.423 2.715 10.327
56 HZ3 LYS 7 3HZ LYS 7 -5.086 2.485 10.284
57 H SER 8 H SER 8 -3.880 -1.974 6.123
58 HA SER 8 HA SER 8 -2.166 -3.552 4.543
59 HB2 SER 8 HB3 SER 8 -4.793 -4.165 5.840
60 HB3 SER 8 HB2 SER 8 -3.525 -5.296 5.362
61 HG SER 8 HG SER 8 -2.167 -4.386 6.876
62 H CYS 9 H CYS 9 -2.360 -3.842 2.392
63 HA CYS 9 HA CYS 9 -4.907 -4.290 1.273
64 HB2 CYS 9 HB3 CYS 9 -4.257 -2.902 -0.705
65 HB3 CYS 9 HB2 CYS 9 -4.812 -1.997 0.693
66 H ASP 10 H ASP 10 -4.453 -4.895 -1.055
67 HA ASP 10 HA ASP 10 -2.256 -6.855 -0.961
68 HB2 ASP 10 HB3 ASP 10 -4.599 -7.691 -1.165
69 HB3 ASP 10 HB2 ASP 10 -4.727 -6.840 -2.700
70 HA PRO 11 HA PRO 11 -0.199 -4.535 -4.152
71 HB2 PRO 11 HB3 PRO 11 1.024 -6.633 -5.491
72 HB3 PRO 11 HB2 PRO 11 1.641 -5.895 -4.006
73 HG2 PRO 11 2HG PRO 11 -0.016 -8.362 -4.329
74 HG3 PRO 11 1HG PRO 11 1.411 -8.098 -3.312
75 HD2 PRO 11 2HD PRO 11 -1.024 -8.039 -2.272
76 HD3 PRO 11 1HD PRO 11 0.202 -6.863 -1.732
77 H LYS 12 H LYS 12 -2.322 -7.290 -5.050
78 HA LYS 12 HA LYS 12 -2.472 -6.377 -7.762
79 HB2 LYS 12 HB3 LYS 12 -3.394 -8.710 -6.186
80 HB3 LYS 12 HB2 LYS 12 -4.134 -8.370 -7.729
81 HG2 LYS 12 2HG LYS 12 -2.438 -10.043 -8.036
82 HG3 LYS 12 1HG LYS 12 -1.841 -8.549 -8.743
83 HD2 LYS 12 2HD LYS 12 -0.512 -8.148 -6.704
84 HD3 LYS 12 1HD LYS 12 -1.096 -9.675 -6.047
85 HE2 LYS 12 2HE LYS 12 1.120 -9.957 -7.021
86 HE3 LYS 12 1HE LYS 12 -0.093 -10.869 -7.917
87 HZ1 LYS 12 1HZ LYS 12 1.048 -8.261 -8.707
88 HZ2 LYS 12 2HZ LYS 12 -0.108 -9.069 -9.598
89 HZ3 LYS 12 3HZ LYS 12 1.433 -9.721 -9.409
90 H ASN 13 H ASN 13 -4.008 -5.800 -4.810
91 HA ASN 13 HA ASN 13 -6.359 -4.767 -6.173
92 HB2 ASN 13 HB3 ASN 13 -7.000 -6.963 -5.189
93 HB3 ASN 13 HB2 ASN 13 -6.497 -6.387 -3.611
94 HD21 ASN 13 HD21 ASN 13 -8.892 -6.104 -6.101
95 HD22 ASN 13 HD22 ASN 13 -10.096 -5.328 -5.153
96 H ASP 14 H ASP 14 -5.334 -2.891 -6.005
97 HA ASP 14 HA ASP 14 -4.362 -1.764 -3.606
98 HB2 ASP 14 HB3 ASP 14 -3.484 -0.919 -5.603
99 HB3 ASP 14 HB2 ASP 14 -5.092 -0.554 -6.250
100 H LYS 15 H LYS 15 -5.188 -0.355 -2.293
101 HA LYS 15 HA LYS 15 -7.880 0.611 -2.662
102 HB2 LYS 15 HB3 LYS 15 -8.059 -1.608 -1.509
103 HB3 LYS 15 HB2 LYS 15 -7.128 -0.952 -0.175
104 HG2 LYS 15 2HG LYS 15 -9.504 -0.965 0.349
105 HG3 LYS 15 1HG LYS 15 -8.907 0.692 0.240
106 HD2 LYS 15 2HD LYS 15 -9.784 0.846 -2.045
107 HD3 LYS 15 1HD LYS 15 -10.380 -0.810 -1.915
108 HE2 LYS 15 2HE LYS 15 -11.857 -0.156 -0.121
109 HE3 LYS 15 1HE LYS 15 -11.206 1.483 -0.154
110 HZ1 LYS 15 1HZ LYS 15 -12.669 0.162 -2.372
111 HZ2 LYS 15 2HZ LYS 15 -12.021 1.732 -2.382
112 HZ3 LYS 15 3HZ LYS 15 -13.283 1.360 -1.340
113 H CYS 16 H CYS 16 -4.735 1.221 -1.964
114 HA CYS 16 HA CYS 16 -5.349 3.072 0.177
115 HB2 CYS 16 HB3 CYS 16 -2.935 3.292 0.522
116 HB3 CYS 16 HB2 CYS 16 -3.401 1.603 0.595
117 H CYS 17 H CYS 17 -4.136 5.242 -0.083
118 HA CYS 17 HA CYS 17 -5.192 6.345 -2.367
119 HB2 CYS 17 HB3 CYS 17 -3.359 7.444 -0.268
120 HB3 CYS 17 HB2 CYS 17 -4.170 8.394 -1.500
121 H LYS 18 H LYS 18 -3.969 7.766 -3.725
122 HA LYS 18 HA LYS 18 -2.256 6.145 -5.247
123 HB2 LYS 18 HB3 LYS 18 -4.079 7.802 -6.014
124 HB3 LYS 18 HB2 LYS 18 -2.891 9.046 -5.694
125 HG2 LYS 18 2HG LYS 18 -2.991 8.479 -8.056
126 HG3 LYS 18 1HG LYS 18 -1.410 8.116 -7.370
127 HD2 LYS 18 2HD LYS 18 -2.120 6.330 -8.846
128 HD3 LYS 18 1HD LYS 18 -2.045 5.736 -7.199
129 HE2 LYS 18 2HE LYS 18 -4.008 4.846 -8.216
130 HE3 LYS 18 1HE LYS 18 -4.539 6.056 -7.059
131 HZ1 LYS 18 1HZ LYS 18 -4.309 6.437 -9.994
132 HZ2 LYS 18 2HZ LYS 18 -4.871 7.602 -8.908
133 HZ3 LYS 18 3HZ LYS 18 -5.737 6.193 -9.161
134 H ASN 19 H ASN 19 -0.271 6.999 -6.064
135 HA ASN 19 HA ASN 19 1.891 7.682 -5.923
136 HB2 ASN 19 HB3 ASN 19 1.030 9.960 -5.368
137 HB3 ASN 19 HB2 ASN 19 0.985 9.525 -3.673
138 HD21 ASN 19 HD21 ASN 19 3.694 8.599 -5.756
139 HD22 ASN 19 HD22 ASN 19 4.811 9.683 -5.030
140 H TYR 20 H TYR 20 0.281 6.515 -3.222
141 HA TYR 20 HA TYR 20 2.650 5.280 -2.097
142 HB2 TYR 20 HB3 TYR 20 -0.291 4.984 -1.473
143 HB3 TYR 20 HB2 TYR 20 1.026 4.281 -0.561
144 HD1 TYR 20 1HD TYR 20 -1.136 7.055 -0.942
145 HD2 TYR 20 2HD TYR 20 2.665 5.930 0.566
146 HE1 TYR 20 1HE TYR 20 -1.132 9.040 0.497
147 HE2 TYR 20 2HE TYR 20 2.695 7.900 2.005
148 HH TYR 20 HH TYR 20 1.653 10.112 2.140
149 H THR 21 H THR 21 2.342 2.730 -1.813
150 HA THR 21 HA THR 21 0.747 1.521 -3.899
151 HB THR 21 HB THR 21 3.650 0.825 -3.768
152 HG1 THR 21 1HG THR 21 2.351 2.958 -4.929
153 HG21 THR 21 1HG2 THR 21 2.179 -0.794 -4.847
154 HG22 THR 21 2HG2 THR 21 3.242 -0.060 -6.048
155 HG23 THR 21 3HG2 THR 21 1.560 0.458 -5.926
156 H CYS 22 H CYS 22 0.251 -0.623 -3.394
157 HA CYS 22 HA CYS 22 0.704 -1.540 -0.734
158 HB2 CYS 22 HB3 CYS 22 -0.598 -2.827 -3.077
159 HB3 CYS 22 HB2 CYS 22 -0.697 -3.375 -1.423
160 H SER 23 H SER 23 2.213 -2.775 -0.141
161 HA SER 23 HA SER 23 4.008 -4.053 -2.080
162 HB2 SER 23 HB3 SER 23 5.076 -2.326 -0.801
163 HB3 SER 23 HB2 SER 23 4.411 -2.937 0.702
164 HG SER 23 HG SER 23 6.598 -3.445 0.391
165 H ARG 24 H ARG 24 4.455 -6.241 -1.864
166 HA ARG 24 HA ARG 24 2.829 -7.730 -0.004
167 HB2 ARG 24 HB3 ARG 24 3.047 -8.624 -2.279
168 HB3 ARG 24 HB2 ARG 24 4.793 -8.665 -2.117
169 HG2 ARG 24 2HG ARG 24 3.884 -10.902 -1.906
170 HG3 ARG 24 1HG ARG 24 4.587 -10.383 -0.376
171 HD2 ARG 24 2HD ARG 24 2.306 -9.778 0.403
172 HD3 ARG 24 1HD ARG 24 1.659 -10.448 -1.096
173 HE ARG 24 HE ARG 24 3.334 -12.226 0.442
174 HH11 ARG 24 1HH1 ARG 24 0.028 -11.200 -0.262
175 HH12 ARG 24 2HH1 ARG 24 -0.695 -12.576 0.411
176 HH21 ARG 24 1HH2 ARG 24 2.321 -14.128 1.393
177 HH22 ARG 24 2HH2 ARG 24 0.623 -14.251 1.409
178 H ARG 25 H ARG 25 6.021 -6.676 -0.458
179 HA ARG 25 HA ARG 25 7.414 -8.404 1.291
180 HB2 ARG 25 HB3 ARG 25 8.423 -7.057 -0.513
181 HB3 ARG 25 HB2 ARG 25 8.038 -5.605 0.381
182 HG2 ARG 25 2HG ARG 25 9.484 -6.284 2.174
183 HG3 ARG 25 1HG ARG 25 9.843 -7.785 1.302
184 HD2 ARG 25 2HD ARG 25 10.864 -6.574 -0.490
185 HD3 ARG 25 1HD ARG 25 10.406 -5.031 0.209
186 HE ARG 25 HE ARG 25 12.148 -6.803 1.746
187 HH11 ARG 25 1HH1 ARG 25 11.779 -3.778 -0.077
188 HH12 ARG 25 2HH1 ARG 25 13.312 -3.176 0.332
189 HH21 ARG 25 1HH2 ARG 25 14.226 -5.980 2.313
190 HH22 ARG 25 2HH2 ARG 25 14.764 -4.467 1.735
191 H ASP 26 H ASP 26 6.104 -5.181 1.557
192 HA ASP 26 HA ASP 26 6.663 -5.026 4.398
193 HB2 ASP 26 HB3 ASP 26 5.104 -3.124 2.639
194 HB3 ASP 26 HB2 ASP 26 5.531 -2.831 4.317
195 H ARG 27 H ARG 27 4.089 -6.064 2.388
196 HA ARG 27 HA ARG 27 2.204 -7.106 2.743
197 HB2 ARG 27 HB3 ARG 27 2.768 -6.749 5.675
198 HB3 ARG 27 HB2 ARG 27 1.366 -7.546 4.972
199 HG2 ARG 27 2HG ARG 27 2.716 -9.275 4.039
200 HG3 ARG 27 1HG ARG 27 4.199 -8.429 4.506
201 HD2 ARG 27 2HD ARG 27 3.581 -10.283 6.041
202 HD3 ARG 27 1HD ARG 27 3.701 -8.709 6.831
203 HE ARG 27 HE ARG 27 1.105 -9.776 5.966
204 HH11 ARG 27 1HH1 ARG 27 3.203 -8.602 8.588
205 HH12 ARG 27 2HH1 ARG 27 1.972 -8.599 9.753
206 HH21 ARG 27 1HH2 ARG 27 -0.597 -9.718 7.578
207 HH22 ARG 27 2HH2 ARG 27 -0.234 -9.248 9.169
208 H TRP 28 H TRP 28 2.619 -4.020 2.965
209 HA TRP 28 HA TRP 28 -0.173 -3.483 2.943
210 HB2 TRP 28 HB3 TRP 28 0.014 -1.630 4.659
211 HB3 TRP 28 HB2 TRP 28 0.059 -3.261 5.307
212 HD1 TRP 28 HD TRP 28 2.632 -0.570 4.258
213 HE1 TRP 28 1HE TRP 28 4.578 -0.657 5.954
214 HE3 TRP 28 3HE TRP 28 0.997 -4.416 7.139
215 HZ2 TRP 28 2HZ TRP 28 5.284 -2.151 8.214
216 HZ3 TRP 28 3HZ TRP 28 2.351 -5.130 9.059
217 HH2 TRP 28 HH TRP 28 4.447 -4.025 9.585
218 H CYS 29 H CYS 29 -0.270 -0.861 2.853
219 HA CYS 29 HA CYS 29 1.230 -0.280 0.493
220 HB2 CYS 29 HB3 CYS 29 -1.187 0.191 0.701
221 HB3 CYS 29 HB2 CYS 29 -0.803 1.352 1.976
222 H LYS 30 H LYS 30 2.824 1.155 0.328
223 HA LYS 30 HA LYS 30 3.361 3.052 2.439
224 HB2 LYS 30 HB3 LYS 30 5.400 1.042 1.472
225 HB3 LYS 30 HB2 LYS 30 5.824 2.561 2.213
226 HG2 LYS 30 2HG LYS 30 4.811 1.873 4.307
227 HG3 LYS 30 1HG LYS 30 4.137 0.444 3.512
228 HD2 LYS 30 2HD LYS 30 6.078 -0.060 4.920
229 HD3 LYS 30 1HD LYS 30 6.324 -0.483 3.234
230 HE2 LYS 30 2HE LYS 30 7.693 1.508 2.924
231 HE3 LYS 30 1HE LYS 30 7.381 2.000 4.591
232 HZ1 LYS 30 1HZ LYS 30 9.557 0.830 4.297
233 HZ2 LYS 30 2HZ LYS 30 8.689 -0.585 3.893
234 HZ3 LYS 30 3HZ LYS 30 8.520 0.112 5.393
235 H TYR 31 H TYR 31 5.300 4.478 1.624
236 HA TYR 31 HA TYR 31 4.349 5.529 -0.846
237 HB2 TYR 31 HB3 TYR 31 5.194 6.923 1.053
238 HB3 TYR 31 HB2 TYR 31 6.807 6.300 0.738
239 HD1 TYR 31 1HD TYR 31 8.168 7.261 -0.941
240 HD2 TYR 31 2HD TYR 31 4.052 8.264 -0.702
241 HE1 TYR 31 1HE TYR 31 8.504 9.044 -2.586
242 HE2 TYR 31 2HE TYR 31 4.382 10.031 -2.337
243 HH TYR 31 HH TYR 31 6.245 11.436 -3.127
244 H ASP 32 H ASP 32 4.853 4.652 -2.728
245 HA ASP 32 HA ASP 32 7.599 3.853 -3.250
246 HB2 ASP 32 HB3 ASP 32 6.447 1.806 -2.640
247 HB3 ASP 32 HB2 ASP 32 5.175 2.153 -3.791
248 H LEU 33 H LEU 33 4.841 3.317 -5.260
249 HA LEU 33 HA LEU 33 6.020 5.190 -7.198
250 HB2 LEU 33 HB3 LEU 33 5.698 2.671 -7.697
251 HB3 LEU 33 HB2 LEU 33 3.995 3.015 -7.784
252 HG LEU 33 HG LEU 33 4.962 2.825 -10.002
253 HD11 LEU 33 HD11 LEU 33 4.253 4.908 -11.037
254 HD12 LEU 33 HD12 LEU 33 4.202 5.676 -9.449
255 HD13 LEU 33 HD13 LEU 33 3.106 4.347 -9.820
256 HD21 LEU 33 HD21 LEU 33 6.747 5.120 -9.235
257 HD22 LEU 33 HD22 LEU 33 6.613 4.412 -10.843
258 HD23 LEU 33 HD23 LEU 33 7.241 3.451 -9.506
259 HN1 NH2 34 HN1 NH2 34 2.791 3.879 -6.740
260 HN2 NH2 34 HN2 NH2 34 1.957 5.393 -6.729
Start of MODEL 12
1 H1 ASP 1 1HT ASP 1 -13.145 6.085 0.978
2 H2 ASP 1 2HT ASP 1 -13.018 6.269 -0.673
3 H3 ASP 1 3HT ASP 1 -13.687 7.519 0.271
4 HA ASP 1 HA ASP 1 -11.401 8.009 -0.411
5 HB2 ASP 1 HB3 ASP 1 -11.639 7.326 2.525
6 HB3 ASP 1 HB2 ASP 1 -10.453 8.402 1.821
7 H CYS 2 H CYS 2 -9.272 7.324 -0.459
8 HA CYS 2 HA CYS 2 -9.043 4.468 -0.273
9 HB2 CYS 2 HB3 CYS 2 -6.722 4.869 -1.102
10 HB3 CYS 2 HB2 CYS 2 -8.024 5.226 -2.221
11 H LEU 3 H LEU 3 -6.714 3.763 0.538
12 HA LEU 3 HA LEU 3 -7.036 4.099 3.346
13 HB2 LEU 3 HB3 LEU 3 -4.959 2.554 1.850
14 HB3 LEU 3 HB2 LEU 3 -5.524 2.319 3.488
15 HG LEU 3 HG LEU 3 -7.132 1.877 1.006
16 HD11 LEU 3 HD11 LEU 3 -6.943 -0.531 1.619
17 HD12 LEU 3 HD12 LEU 3 -5.855 -0.083 2.932
18 HD13 LEU 3 HD13 LEU 3 -5.382 0.201 1.256
19 HD21 LEU 3 HD21 LEU 3 -7.802 1.278 3.893
20 HD22 LEU 3 HD22 LEU 3 -8.773 0.798 2.502
21 HD23 LEU 3 HD23 LEU 3 -8.552 2.509 2.873
22 H GLY 4 H GLY 4 -5.578 4.998 4.750
23 HA2 GLY 4 2HA GLY 4 -3.495 6.664 3.710
24 HA3 GLY 4 1HA GLY 4 -3.899 6.399 5.418
25 H TRP 5 H TRP 5 -1.242 6.149 4.041
26 HA TRP 5 HA TRP 5 -0.940 3.439 3.796
27 HB2 TRP 5 HB3 TRP 5 1.075 3.904 2.962
28 HB3 TRP 5 HB2 TRP 5 0.239 5.381 2.633
29 HD1 TRP 5 HD TRP 5 3.186 4.014 4.472
30 HE1 TRP 5 1HE TRP 5 4.579 5.868 5.369
31 HE3 TRP 5 3HE TRP 5 -0.114 7.781 3.704
32 HZ2 TRP 5 2HZ TRP 5 4.320 8.727 5.771
33 HZ3 TRP 5 3HZ TRP 5 0.516 10.075 4.384
34 HH2 TRP 5 HH TRP 5 2.689 10.525 5.394
35 H PHE 6 H PHE 6 0.876 2.448 4.884
36 HA PHE 6 HA PHE 6 1.582 1.314 6.529
37 HB2 PHE 6 HB3 PHE 6 0.852 3.659 8.210
38 HB3 PHE 6 HB2 PHE 6 1.111 2.102 9.001
39 HD1 PHE 6 1HD PHE 6 2.691 4.985 7.606
40 HD2 PHE 6 2HD PHE 6 3.272 0.887 8.552
41 HE1 PHE 6 1HE PHE 6 5.128 5.308 7.517
42 HE2 PHE 6 2HE PHE 6 5.705 1.198 8.468
43 HZ PHE 6 HZ PHE 6 6.640 3.406 7.947
44 H LYS 7 H LYS 7 -1.671 2.028 6.092
45 HA LYS 7 HA LYS 7 -2.705 0.065 7.826
46 HB2 LYS 7 HB3 LYS 7 -3.859 1.399 5.375
47 HB3 LYS 7 HB2 LYS 7 -4.722 0.355 6.479
48 HG2 LYS 7 2HG LYS 7 -3.415 2.807 7.495
49 HG3 LYS 7 1HG LYS 7 -5.000 2.889 6.738
50 HD2 LYS 7 2HD LYS 7 -5.724 1.080 8.345
51 HD3 LYS 7 1HD LYS 7 -4.169 1.279 9.153
52 HE2 LYS 7 2HE LYS 7 -5.832 2.533 10.324
53 HE3 LYS 7 1HE LYS 7 -4.700 3.627 9.512
54 HZ1 LYS 7 1HZ LYS 7 -6.354 4.033 7.805
55 HZ2 LYS 7 2HZ LYS 7 -7.041 4.341 9.314
56 HZ3 LYS 7 3HZ LYS 7 -7.403 2.922 8.498
57 H SER 8 H SER 8 -3.545 -1.800 7.111
58 HA SER 8 HA SER 8 -1.823 -3.311 5.448
59 HB2 SER 8 HB3 SER 8 -4.305 -4.067 6.965
60 HB3 SER 8 HB2 SER 8 -3.061 -5.147 6.334
61 HG SER 8 HG SER 8 -2.659 -4.752 8.511
62 H CYS 9 H CYS 9 -2.155 -3.677 3.293
63 HA CYS 9 HA CYS 9 -4.768 -4.249 2.408
64 HB2 CYS 9 HB3 CYS 9 -4.356 -2.902 0.348
65 HB3 CYS 9 HB2 CYS 9 -4.833 -1.987 1.767
66 H ASP 10 H ASP 10 -4.508 -4.889 0.026
67 HA ASP 10 HA ASP 10 -2.141 -6.631 -0.060
68 HB2 ASP 10 HB3 ASP 10 -4.359 -7.776 0.196
69 HB3 ASP 10 HB2 ASP 10 -4.854 -7.078 -1.339
70 HA PRO 11 HA PRO 11 -1.121 -4.262 -3.682
71 HB2 PRO 11 HB3 PRO 11 0.510 -6.077 -4.936
72 HB3 PRO 11 HB2 PRO 11 1.022 -5.024 -3.614
73 HG2 PRO 11 2HG PRO 11 0.253 -7.902 -3.551
74 HG3 PRO 11 1HG PRO 11 1.492 -7.017 -2.635
75 HD2 PRO 11 2HD PRO 11 -0.901 -7.751 -1.580
76 HD3 PRO 11 1HD PRO 11 0.017 -6.330 -1.041
77 H LYS 12 H LYS 12 -2.481 -7.554 -4.018
78 HA LYS 12 HA LYS 12 -2.893 -7.223 -6.807
79 HB2 LYS 12 HB3 LYS 12 -3.803 -9.250 -4.801
80 HB3 LYS 12 HB2 LYS 12 -3.930 -9.393 -6.541
81 HG2 LYS 12 2HG LYS 12 -1.363 -9.232 -4.961
82 HG3 LYS 12 1HG LYS 12 -2.044 -10.703 -5.646
83 HD2 LYS 12 2HD LYS 12 -1.144 -8.293 -7.236
84 HD3 LYS 12 1HD LYS 12 -0.209 -9.765 -6.996
85 HE2 LYS 12 2HE LYS 12 -1.944 -11.061 -8.119
86 HE3 LYS 12 1HE LYS 12 -2.903 -9.603 -8.336
87 HZ1 LYS 12 1HZ LYS 12 -1.231 -8.694 -9.748
88 HZ2 LYS 12 2HZ LYS 12 -1.616 -10.247 -10.312
89 HZ3 LYS 12 3HZ LYS 12 -0.196 -9.993 -9.460
90 H ASN 13 H ASN 13 -4.421 -6.625 -3.833
91 HA ASN 13 HA ASN 13 -6.801 -5.729 -5.270
92 HB2 ASN 13 HB3 ASN 13 -7.407 -7.652 -3.838
93 HB3 ASN 13 HB2 ASN 13 -6.710 -6.845 -2.443
94 HD21 ASN 13 HD21 ASN 13 -8.697 -5.204 -4.894
95 HD22 ASN 13 HD22 ASN 13 -10.013 -4.888 -3.834
96 H ASP 14 H ASP 14 -5.209 -3.947 -5.465
97 HA ASP 14 HA ASP 14 -4.558 -2.376 -3.242
98 HB2 ASP 14 HB3 ASP 14 -3.214 -2.039 -5.139
99 HB3 ASP 14 HB2 ASP 14 -4.636 -1.734 -6.156
100 H LYS 15 H LYS 15 -5.484 -1.015 -2.251
101 HA LYS 15 HA LYS 15 -8.029 0.179 -3.061
102 HB2 LYS 15 HB3 LYS 15 -7.333 -1.179 -0.462
103 HB3 LYS 15 HB2 LYS 15 -8.775 -0.216 -0.735
104 HG2 LYS 15 2HG LYS 15 -9.658 -1.807 -2.260
105 HG3 LYS 15 1HG LYS 15 -8.108 -2.630 -2.400
106 HD2 LYS 15 2HD LYS 15 -9.622 -3.942 -1.046
107 HD3 LYS 15 1HD LYS 15 -8.298 -3.341 -0.057
108 HE2 LYS 15 2HE LYS 15 -9.738 -1.575 0.807
109 HE3 LYS 15 1HE LYS 15 -11.062 -2.145 -0.211
110 HZ1 LYS 15 1HZ LYS 15 -11.252 -2.973 2.052
111 HZ2 LYS 15 2HZ LYS 15 -9.735 -3.703 1.929
112 HZ3 LYS 15 3HZ LYS 15 -10.999 -4.252 0.979
113 H CYS 16 H CYS 16 -4.915 0.723 -2.464
114 HA CYS 16 HA CYS 16 -5.215 2.705 -0.371
115 HB2 CYS 16 HB3 CYS 16 -3.220 1.048 -0.454
116 HB3 CYS 16 HB2 CYS 16 -2.670 1.975 -1.850
117 H CYS 17 H CYS 17 -3.766 4.731 -0.992
118 HA CYS 17 HA CYS 17 -5.108 5.941 -3.140
119 HB2 CYS 17 HB3 CYS 17 -2.927 6.811 -1.279
120 HB3 CYS 17 HB2 CYS 17 -3.773 7.882 -2.391
121 H LYS 18 H LYS 18 -3.683 7.344 -4.556
122 HA LYS 18 HA LYS 18 -1.867 5.695 -6.030
123 HB2 LYS 18 HB3 LYS 18 -3.636 7.096 -7.076
124 HB3 LYS 18 HB2 LYS 18 -2.863 8.540 -6.459
125 HG2 LYS 18 2HG LYS 18 -1.439 6.685 -8.360
126 HG3 LYS 18 1HG LYS 18 -2.598 7.860 -8.947
127 HD2 LYS 18 2HD LYS 18 -0.108 8.504 -7.355
128 HD3 LYS 18 1HD LYS 18 -0.280 8.677 -9.103
129 HE2 LYS 18 2HE LYS 18 -2.211 10.241 -8.641
130 HE3 LYS 18 1HE LYS 18 -1.749 10.185 -6.947
131 HZ1 LYS 18 1HZ LYS 18 -0.054 11.147 -9.176
132 HZ2 LYS 18 2HZ LYS 18 0.449 11.058 -7.580
133 HZ3 LYS 18 3HZ LYS 18 -0.795 12.100 -8.013
134 H ASN 19 H ASN 19 0.188 6.447 -6.458
135 HA ASN 19 HA ASN 19 2.318 7.251 -6.016
136 HB2 ASN 19 HB3 ASN 19 1.519 9.546 -5.588
137 HB3 ASN 19 HB2 ASN 19 0.964 9.069 -3.996
138 HD21 ASN 19 HD21 ASN 19 3.724 9.869 -5.926
139 HD22 ASN 19 HD22 ASN 19 4.833 10.051 -4.625
140 H TYR 20 H TYR 20 0.318 6.485 -3.399
141 HA TYR 20 HA TYR 20 2.412 5.128 -1.970
142 HB2 TYR 20 HB3 TYR 20 -0.577 5.261 -1.495
143 HB3 TYR 20 HB2 TYR 20 0.625 4.608 -0.406
144 HD1 TYR 20 1HD TYR 20 2.406 6.156 0.526
145 HD2 TYR 20 2HD TYR 20 -1.078 7.596 -1.430
146 HE1 TYR 20 1HE TYR 20 2.757 8.351 1.534
147 HE2 TYR 20 2HE TYR 20 -0.749 9.796 -0.423
148 HH TYR 20 HH TYR 20 0.421 10.768 1.593
149 H THR 21 H THR 21 2.103 2.790 -1.595
150 HA THR 21 HA THR 21 0.393 1.416 -3.526
151 HB THR 21 HB THR 21 3.262 0.640 -3.339
152 HG1 THR 21 1HG THR 21 2.099 2.764 -4.670
153 HG21 THR 21 1HG2 THR 21 1.712 -0.952 -4.341
154 HG22 THR 21 2HG2 THR 21 2.813 -0.340 -5.574
155 HG23 THR 21 3HG2 THR 21 1.162 0.272 -5.484
156 H CYS 22 H CYS 22 -0.184 -0.592 -2.764
157 HA CYS 22 HA CYS 22 0.497 -1.322 -0.104
158 HB2 CYS 22 HB3 CYS 22 -0.807 -2.783 -2.282
159 HB3 CYS 22 HB2 CYS 22 -0.830 -3.276 -0.607
160 H SER 23 H SER 23 2.434 -1.941 0.184
161 HA SER 23 HA SER 23 4.174 -2.966 -1.681
162 HB2 SER 23 HB3 SER 23 4.142 -2.698 1.303
163 HB3 SER 23 HB2 SER 23 5.551 -2.882 0.255
164 HG SER 23 HG SER 23 4.245 -0.910 -0.760
165 H ARG 24 H ARG 24 4.522 -5.094 -2.112
166 HA ARG 24 HA ARG 24 2.831 -7.120 -0.951
167 HB2 ARG 24 HB3 ARG 24 4.005 -6.875 -3.370
168 HB3 ARG 24 HB2 ARG 24 5.245 -7.805 -2.560
169 HG2 ARG 24 2HG ARG 24 2.383 -8.672 -3.041
170 HG3 ARG 24 1HG ARG 24 3.824 -9.251 -3.844
171 HD2 ARG 24 2HD ARG 24 4.603 -10.241 -1.761
172 HD3 ARG 24 1HD ARG 24 3.195 -9.587 -0.919
173 HE ARG 24 HE ARG 24 2.348 -11.074 -3.126
174 HH11 ARG 24 1HH1 ARG 24 3.866 -11.628 0.009
175 HH12 ARG 24 2HH1 ARG 24 3.123 -13.133 0.261
176 HH21 ARG 24 1HH2 ARG 24 1.328 -13.138 -2.790
177 HH22 ARG 24 2HH2 ARG 24 1.634 -14.025 -1.379
178 H ARG 25 H ARG 25 6.049 -6.024 -0.715
179 HA ARG 25 HA ARG 25 7.288 -8.056 0.747
180 HB2 ARG 25 HB3 ARG 25 8.513 -6.342 -0.424
181 HB3 ARG 25 HB2 ARG 25 7.793 -5.103 0.568
182 HG2 ARG 25 2HG ARG 25 8.919 -5.867 2.501
183 HG3 ARG 25 1HG ARG 25 9.571 -7.257 1.627
184 HD2 ARG 25 2HD ARG 25 11.209 -5.383 1.936
185 HD3 ARG 25 1HD ARG 25 10.937 -5.832 0.258
186 HE ARG 25 HE ARG 25 9.792 -3.844 -0.086
187 HH11 ARG 25 1HH1 ARG 25 10.876 -4.007 3.289
188 HH12 ARG 25 2HH1 ARG 25 10.911 -2.313 3.482
189 HH21 ARG 25 1HH2 ARG 25 9.915 -1.527 0.204
190 HH22 ARG 25 2HH2 ARG 25 10.385 -0.886 1.709
191 H ASP 26 H ASP 26 5.893 -5.048 1.778
192 HA ASP 26 HA ASP 26 6.189 -5.715 4.597
193 HB2 ASP 26 HB3 ASP 26 4.889 -3.299 3.348
194 HB3 ASP 26 HB2 ASP 26 5.343 -3.485 5.039
195 H ARG 27 H ARG 27 3.724 -5.801 2.205
196 HA ARG 27 HA ARG 27 1.676 -6.446 2.073
197 HB2 ARG 27 HB3 ARG 27 1.917 -7.482 4.897
198 HB3 ARG 27 HB2 ARG 27 0.690 -7.893 3.683
199 HG2 ARG 27 2HG ARG 27 2.416 -8.933 2.308
200 HG3 ARG 27 1HG ARG 27 3.611 -8.576 3.560
201 HD2 ARG 27 2HD ARG 27 2.900 -10.853 3.839
202 HD3 ARG 27 1HD ARG 27 2.225 -9.892 5.157
203 HE ARG 27 HE ARG 27 0.608 -10.383 2.791
204 HH11 ARG 27 1HH1 ARG 27 1.129 -10.987 6.254
205 HH12 ARG 27 2HH1 ARG 27 -0.354 -11.761 6.498
206 HH21 ARG 27 1HH2 ARG 27 -1.473 -11.482 3.139
207 HH22 ARG 27 2HH2 ARG 27 -1.863 -12.036 4.700
208 H TRP 28 H TRP 28 2.432 -3.839 3.171
209 HA TRP 28 HA TRP 28 -0.263 -3.033 3.725
210 HB2 TRP 28 HB3 TRP 28 0.313 -1.511 5.562
211 HB3 TRP 28 HB2 TRP 28 0.762 -3.141 6.004
212 HD1 TRP 28 HD TRP 28 2.509 0.043 4.626
213 HE1 TRP 28 1HE TRP 28 4.824 0.222 5.728
214 HE3 TRP 28 3HE TRP 28 2.463 -4.263 7.329
215 HZ2 TRP 28 2HZ TRP 28 6.416 -1.245 7.503
216 HZ3 TRP 28 3HZ TRP 28 4.423 -4.807 8.725
217 HH2 TRP 28 HH TRP 28 6.362 -3.313 8.799
218 H CYS 29 H CYS 29 -0.281 -0.468 3.544
219 HA CYS 29 HA CYS 29 1.041 0.003 1.044
220 HB2 CYS 29 HB3 CYS 29 -1.353 0.462 1.277
221 HB3 CYS 29 HB2 CYS 29 -0.980 1.658 2.525
222 H LYS 30 H LYS 30 2.580 1.493 0.679
223 HA LYS 30 HA LYS 30 3.241 3.437 2.743
224 HB2 LYS 30 HB3 LYS 30 5.502 2.135 1.311
225 HB3 LYS 30 HB2 LYS 30 5.430 3.022 2.792
226 HG2 LYS 30 2HG LYS 30 4.399 1.098 3.928
227 HG3 LYS 30 1HG LYS 30 4.588 0.162 2.442
228 HD2 LYS 30 2HD LYS 30 6.797 1.369 4.121
229 HD3 LYS 30 1HD LYS 30 6.420 -0.340 3.951
230 HE2 LYS 30 2HE LYS 30 7.392 1.469 1.720
231 HE3 LYS 30 1HE LYS 30 8.385 0.343 2.630
232 HZ1 LYS 30 1HZ LYS 30 7.673 -0.529 0.471
233 HZ2 LYS 30 2HZ LYS 30 6.059 -0.500 0.958
234 HZ3 LYS 30 3HZ LYS 30 7.167 -1.473 1.764
235 H TYR 31 H TYR 31 4.919 4.985 1.766
236 HA TYR 31 HA TYR 31 4.177 5.875 -0.835
237 HB2 TYR 31 HB3 TYR 31 5.025 7.489 0.790
238 HB3 TYR 31 HB2 TYR 31 6.475 6.534 1.044
239 HD1 TYR 31 1HD TYR 31 4.790 8.884 -1.236
240 HD2 TYR 31 2HD TYR 31 8.342 6.676 -0.480
241 HE1 TYR 31 1HE TYR 31 5.981 10.227 -2.896
242 HE2 TYR 31 2HE TYR 31 9.537 8.000 -2.135
243 HH TYR 31 HH TYR 31 9.021 9.354 -4.118
244 H ASP 32 H ASP 32 4.810 4.834 -2.636
245 HA ASP 32 HA ASP 32 7.508 3.731 -2.709
246 HB2 ASP 32 HB3 ASP 32 6.016 1.910 -1.915
247 HB3 ASP 32 HB2 ASP 32 5.143 2.019 -3.435
248 H LEU 33 H LEU 33 4.702 3.363 -4.713
249 HA LEU 33 HA LEU 33 6.099 4.839 -6.817
250 HB2 LEU 33 HB3 LEU 33 6.514 2.429 -7.165
251 HB3 LEU 33 HB2 LEU 33 4.791 2.146 -7.222
252 HG LEU 33 HG LEU 33 4.631 3.466 -9.288
253 HD11 LEU 33 HD11 LEU 33 6.464 5.013 -8.910
254 HD12 LEU 33 HD12 LEU 33 6.668 4.168 -10.444
255 HD13 LEU 33 HD13 LEU 33 7.626 3.693 -9.042
256 HD21 LEU 33 HD21 LEU 33 6.750 1.322 -9.381
257 HD22 LEU 33 HD22 LEU 33 5.816 1.906 -10.755
258 HD23 LEU 33 HD23 LEU 33 5.010 1.057 -9.440
259 HN1 NH2 34 HN1 NH2 34 3.091 3.016 -6.592
260 HN2 NH2 34 HN2 NH2 34 2.056 4.316 -7.069
Start of MODEL 13
1 H1 ASP 1 1HT ASP 1 -13.587 5.410 -0.276
2 H2 ASP 1 2HT ASP 1 -14.249 6.581 0.741
3 H3 ASP 1 3HT ASP 1 -13.387 5.270 1.368
4 HA ASP 1 HA ASP 1 -12.154 7.273 -0.418
5 HB2 ASP 1 HB3 ASP 1 -11.935 6.972 2.597
6 HB3 ASP 1 HB2 ASP 1 -10.915 8.018 1.618
7 H CYS 2 H CYS 2 -9.624 7.059 0.244
8 HA CYS 2 HA CYS 2 -9.119 4.202 -0.109
9 HB2 CYS 2 HB3 CYS 2 -6.953 4.782 -0.763
10 HB3 CYS 2 HB2 CYS 2 -8.077 5.695 -1.773
11 H LEU 3 H LEU 3 -6.751 3.809 0.736
12 HA LEU 3 HA LEU 3 -6.927 4.110 3.609
13 HB2 LEU 3 HB3 LEU 3 -5.158 2.475 1.868
14 HB3 LEU 3 HB2 LEU 3 -5.432 2.278 3.591
15 HG LEU 3 HG LEU 3 -7.417 1.840 1.405
16 HD11 LEU 3 HD11 LEU 3 -7.197 -0.581 2.068
17 HD12 LEU 3 HD12 LEU 3 -5.910 -0.119 3.181
18 HD13 LEU 3 HD13 LEU 3 -5.693 0.097 1.444
19 HD21 LEU 3 HD21 LEU 3 -7.665 1.339 4.381
20 HD22 LEU 3 HD22 LEU 3 -8.846 0.830 3.175
21 HD23 LEU 3 HD23 LEU 3 -8.539 2.545 3.435
22 H GLY 4 H GLY 4 -5.171 5.047 4.713
23 HA2 GLY 4 2HA GLY 4 -3.210 6.470 3.189
24 HA3 GLY 4 1HA GLY 4 -3.317 6.352 4.954
25 H TRP 5 H TRP 5 -0.812 5.877 3.741
26 HA TRP 5 HA TRP 5 -0.755 3.141 3.351
27 HB2 TRP 5 HB3 TRP 5 1.253 3.494 2.459
28 HB3 TRP 5 HB2 TRP 5 0.554 5.052 2.220
29 HD1 TRP 5 HD TRP 5 3.466 3.380 3.616
30 HE1 TRP 5 1HE TRP 5 5.060 4.968 4.633
31 HE3 TRP 5 3HE TRP 5 0.370 7.426 3.819
32 HZ2 TRP 5 2HZ TRP 5 5.030 7.713 5.552
33 HZ3 TRP 5 3HZ TRP 5 1.232 9.488 4.811
34 HH2 TRP 5 HH TRP 5 3.514 9.628 5.655
35 H PHE 6 H PHE 6 1.044 2.012 4.525
36 HA PHE 6 HA PHE 6 1.686 0.926 6.295
37 HB2 PHE 6 HB3 PHE 6 1.048 3.441 7.799
38 HB3 PHE 6 HB2 PHE 6 1.321 1.932 8.661
39 HD1 PHE 6 1HD PHE 6 2.863 4.736 7.066
40 HD2 PHE 6 2HD PHE 6 3.503 0.727 8.295
41 HE1 PHE 6 1HE PHE 6 5.298 5.103 6.995
42 HE2 PHE 6 2HE PHE 6 5.934 1.080 8.225
43 HZ PHE 6 HZ PHE 6 6.836 3.277 7.573
44 H LYS 7 H LYS 7 -1.484 1.702 5.660
45 HA LYS 7 HA LYS 7 -2.552 -0.042 7.656
46 HB2 LYS 7 HB3 LYS 7 -3.884 1.127 5.238
47 HB3 LYS 7 HB2 LYS 7 -4.638 0.516 6.690
48 HG2 LYS 7 2HG LYS 7 -2.903 2.961 6.604
49 HG3 LYS 7 1HG LYS 7 -4.654 2.995 6.533
50 HD2 LYS 7 2HD LYS 7 -4.709 1.905 8.766
51 HD3 LYS 7 1HD LYS 7 -2.941 1.953 8.805
52 HE2 LYS 7 2HE LYS 7 -3.015 4.396 8.629
53 HE3 LYS 7 1HE LYS 7 -4.769 4.348 8.611
54 HZ1 LYS 7 1HZ LYS 7 -2.993 3.548 10.830
55 HZ2 LYS 7 2HZ LYS 7 -4.666 3.335 10.846
56 HZ3 LYS 7 3HZ LYS 7 -4.008 4.883 10.775
57 H SER 8 H SER 8 -3.392 -1.962 7.096
58 HA SER 8 HA SER 8 -1.964 -3.451 5.170
59 HB2 SER 8 HB3 SER 8 -4.257 -4.194 6.963
60 HB3 SER 8 HB2 SER 8 -3.197 -5.291 6.080
61 HG SER 8 HG SER 8 -1.636 -3.670 7.427
62 H CYS 9 H CYS 9 -2.654 -4.317 3.235
63 HA CYS 9 HA CYS 9 -5.328 -4.593 2.558
64 HB2 CYS 9 HB3 CYS 9 -4.953 -3.334 0.417
65 HB3 CYS 9 HB2 CYS 9 -5.342 -2.360 1.832
66 H ASP 10 H ASP 10 -5.241 -5.293 0.150
67 HA ASP 10 HA ASP 10 -3.157 -7.363 0.087
68 HB2 ASP 10 HB3 ASP 10 -5.533 -8.087 0.102
69 HB3 ASP 10 HB2 ASP 10 -5.786 -7.213 -1.401
70 HA PRO 11 HA PRO 11 -1.228 -5.202 -3.269
71 HB2 PRO 11 HB3 PRO 11 -0.095 -7.339 -4.577
72 HB3 PRO 11 HB2 PRO 11 0.585 -6.575 -3.136
73 HG2 PRO 11 2HG PRO 11 -1.105 -9.030 -3.351
74 HG3 PRO 11 1HG PRO 11 0.350 -8.760 -2.374
75 HD2 PRO 11 2HD PRO 11 -2.079 -8.656 -1.283
76 HD3 PRO 11 1HD PRO 11 -0.808 -7.516 -0.783
77 H LYS 12 H LYS 12 -3.416 -7.964 -4.016
78 HA LYS 12 HA LYS 12 -3.593 -7.045 -6.720
79 HB2 LYS 12 HB3 LYS 12 -4.411 -9.460 -5.209
80 HB3 LYS 12 HB2 LYS 12 -5.238 -9.052 -6.692
81 HG2 LYS 12 2HG LYS 12 -3.474 -10.681 -7.117
82 HG3 LYS 12 1HG LYS 12 -3.069 -9.159 -7.896
83 HD2 LYS 12 2HD LYS 12 -1.548 -8.616 -6.068
84 HD3 LYS 12 1HD LYS 12 -1.981 -10.106 -5.242
85 HE2 LYS 12 2HE LYS 12 0.130 -10.358 -6.379
86 HE3 LYS 12 1HE LYS 12 -1.082 -11.397 -7.120
87 HZ1 LYS 12 1HZ LYS 12 -0.184 -8.768 -8.176
88 HZ2 LYS 12 2HZ LYS 12 -1.314 -9.774 -8.912
89 HZ3 LYS 12 3HZ LYS 12 0.286 -10.275 -8.747
90 H ASN 13 H ASN 13 -5.038 -6.508 -3.774
91 HA ASN 13 HA ASN 13 -7.365 -5.352 -5.123
92 HB2 ASN 13 HB3 ASN 13 -8.024 -7.382 -3.748
93 HB3 ASN 13 HB2 ASN 13 -7.410 -6.546 -2.333
94 HD21 ASN 13 HD21 ASN 13 -10.051 -7.546 -2.921
95 HD22 ASN 13 HD22 ASN 13 -11.134 -6.224 -2.747
96 H ASP 14 H ASP 14 -5.860 -3.649 -5.266
97 HA ASP 14 HA ASP 14 -4.875 -2.437 -2.860
98 HB2 ASP 14 HB3 ASP 14 -3.638 -2.440 -4.990
99 HB3 ASP 14 HB2 ASP 14 -4.850 -1.325 -5.654
100 H LYS 15 H LYS 15 -5.685 -0.909 -1.842
101 HA LYS 15 HA LYS 15 -8.075 0.534 -2.790
102 HB2 LYS 15 HB3 LYS 15 -7.525 -0.592 -0.060
103 HB3 LYS 15 HB2 LYS 15 -8.861 0.462 -0.464
104 HG2 LYS 15 2HG LYS 15 -9.723 -1.283 -1.986
105 HG3 LYS 15 1HG LYS 15 -8.384 -2.330 -1.501
106 HD2 LYS 15 2HD LYS 15 -9.151 -2.213 0.828
107 HD3 LYS 15 1HD LYS 15 -10.495 -1.191 0.328
108 HE2 LYS 15 2HE LYS 15 -9.996 -4.042 -0.514
109 HE3 LYS 15 1HE LYS 15 -11.226 -3.488 0.617
110 HZ1 LYS 15 1HZ LYS 15 -11.088 -2.918 -2.293
111 HZ2 LYS 15 2HZ LYS 15 -12.198 -2.189 -1.268
112 HZ3 LYS 15 3HZ LYS 15 -12.230 -3.858 -1.488
113 H CYS 16 H CYS 16 -5.068 1.084 -2.503
114 HA CYS 16 HA CYS 16 -5.156 3.142 -0.445
115 HB2 CYS 16 HB3 CYS 16 -3.335 1.294 -0.614
116 HB3 CYS 16 HB2 CYS 16 -2.739 2.208 -1.993
117 H CYS 17 H CYS 17 -4.247 5.302 -1.131
118 HA CYS 17 HA CYS 17 -5.355 5.992 -3.587
119 HB2 CYS 17 HB3 CYS 17 -4.070 7.430 -1.375
120 HB3 CYS 17 HB2 CYS 17 -4.083 8.238 -2.931
121 H LYS 18 H LYS 18 -3.943 7.732 -4.840
122 HA LYS 18 HA LYS 18 -2.429 6.107 -6.509
123 HB2 LYS 18 HB3 LYS 18 -3.836 8.081 -7.127
124 HB3 LYS 18 HB2 LYS 18 -2.531 9.115 -6.566
125 HG2 LYS 18 2HG LYS 18 -2.192 7.082 -8.784
126 HG3 LYS 18 1HG LYS 18 -2.740 8.715 -9.095
127 HD2 LYS 18 2HD LYS 18 -0.109 7.973 -7.826
128 HD3 LYS 18 1HD LYS 18 -0.325 8.372 -9.526
129 HE2 LYS 18 2HE LYS 18 -0.845 10.212 -7.181
130 HE3 LYS 18 1HE LYS 18 0.531 10.282 -8.271
131 HZ1 LYS 18 1HZ LYS 18 -2.306 10.741 -9.018
132 HZ2 LYS 18 2HZ LYS 18 -1.012 10.732 -10.103
133 HZ3 LYS 18 3HZ LYS 18 -1.092 11.902 -8.902
134 H ASN 19 H ASN 19 -0.492 6.008 -6.912
135 HA ASN 19 HA ASN 19 1.785 6.031 -6.907
136 HB2 ASN 19 HB3 ASN 19 1.568 8.566 -6.817
137 HB3 ASN 19 HB2 ASN 19 1.756 8.444 -5.079
138 HD21 ASN 19 HD21 ASN 19 3.553 6.418 -7.358
139 HD22 ASN 19 HD22 ASN 19 5.071 7.169 -7.051
140 H TYR 20 H TYR 20 0.105 6.061 -3.990
141 HA TYR 20 HA TYR 20 2.120 4.490 -2.650
142 HB2 TYR 20 HB3 TYR 20 -0.753 5.150 -1.929
143 HB3 TYR 20 HB2 TYR 20 0.374 4.250 -0.947
144 HD1 TYR 20 1HD TYR 20 2.173 5.327 0.228
145 HD2 TYR 20 2HD TYR 20 -0.585 7.605 -2.062
146 HE1 TYR 20 1HE TYR 20 2.917 7.350 1.373
147 HE2 TYR 20 2HE TYR 20 0.159 9.652 -0.918
148 HH TYR 20 HH TYR 20 1.256 10.247 1.252
149 H THR 21 H THR 21 1.498 2.247 -2.097
150 HA THR 21 HA THR 21 -0.768 1.136 -3.376
151 HB THR 21 HB THR 21 0.787 1.396 -5.163
152 HG1 THR 21 1HG THR 21 -0.756 -0.497 -4.795
153 HG21 THR 21 1HG2 THR 21 2.758 -0.150 -5.402
154 HG22 THR 21 2HG2 THR 21 2.503 -0.632 -3.726
155 HG23 THR 21 3HG2 THR 21 2.931 1.035 -4.107
156 H CYS 22 H CYS 22 -1.048 -0.990 -2.929
157 HA CYS 22 HA CYS 22 -0.218 -1.773 -0.346
158 HB2 CYS 22 HB3 CYS 22 -1.656 -3.209 -2.476
159 HB3 CYS 22 HB2 CYS 22 -1.549 -3.735 -0.812
160 H SER 23 H SER 23 1.553 -2.508 0.002
161 HA SER 23 HA SER 23 3.265 -3.752 -1.944
162 HB2 SER 23 HB3 SER 23 4.203 -2.028 -0.494
163 HB3 SER 23 HB2 SER 23 3.650 -2.884 0.935
164 HG SER 23 HG SER 23 5.876 -3.126 0.482
165 H ARG 24 H ARG 24 3.658 -5.878 -1.993
166 HA ARG 24 HA ARG 24 2.244 -7.609 -0.139
167 HB2 ARG 24 HB3 ARG 24 2.558 -8.017 -2.698
168 HB3 ARG 24 HB2 ARG 24 4.201 -8.469 -2.297
169 HG2 ARG 24 2HG ARG 24 1.737 -9.878 -1.234
170 HG3 ARG 24 1HG ARG 24 2.659 -10.393 -2.641
171 HD2 ARG 24 2HD ARG 24 3.663 -10.193 0.189
172 HD3 ARG 24 1HD ARG 24 3.240 -11.686 -0.654
173 HE ARG 24 HE ARG 24 5.056 -10.810 -2.281
174 HH11 ARG 24 1HH1 ARG 24 5.185 -10.659 1.258
175 HH12 ARG 24 2HH1 ARG 24 6.884 -10.769 1.328
176 HH21 ARG 24 1HH2 ARG 24 7.327 -10.918 -2.173
177 HH22 ARG 24 2HH2 ARG 24 8.149 -10.913 -0.686
178 H ARG 25 H ARG 25 5.321 -6.359 -0.840
179 HA ARG 25 HA ARG 25 7.089 -7.966 0.589
180 HB2 ARG 25 HB3 ARG 25 7.719 -6.284 -1.043
181 HB3 ARG 25 HB2 ARG 25 7.070 -5.024 -0.021
182 HG2 ARG 25 2HG ARG 25 8.750 -5.631 1.677
183 HG3 ARG 25 1HG ARG 25 9.481 -6.716 0.481
184 HD2 ARG 25 2HD ARG 25 10.612 -4.536 0.458
185 HD3 ARG 25 1HD ARG 25 9.749 -4.818 -1.058
186 HE ARG 25 HE ARG 25 8.403 -3.287 1.052
187 HH11 ARG 25 1HH1 ARG 25 9.850 -3.254 -2.201
188 HH12 ARG 25 2HH1 ARG 25 9.243 -1.691 -2.526
189 HH21 ARG 25 1HH2 ARG 25 7.592 -1.290 0.530
190 HH22 ARG 25 2HH2 ARG 25 7.946 -0.537 -0.986
191 H ASP 26 H ASP 26 5.515 -4.938 1.459
192 HA ASP 26 HA ASP 26 6.316 -5.181 4.255
193 HB2 ASP 26 HB3 ASP 26 4.655 -3.050 2.888
194 HB3 ASP 26 HB2 ASP 26 5.268 -2.976 4.533
195 H ARG 27 H ARG 27 3.761 -6.008 2.273
196 HA ARG 27 HA ARG 27 1.830 -6.901 2.433
197 HB2 ARG 27 HB3 ARG 27 2.293 -7.164 5.388
198 HB3 ARG 27 HB2 ARG 27 1.008 -7.919 4.438
199 HG2 ARG 27 2HG ARG 27 2.862 -9.019 3.099
200 HG3 ARG 27 1HG ARG 27 3.946 -8.513 4.399
201 HD2 ARG 27 2HD ARG 27 3.213 -10.761 4.843
202 HD3 ARG 27 1HD ARG 27 2.445 -9.684 6.012
203 HE ARG 27 HE ARG 27 0.970 -10.241 3.596
204 HH11 ARG 27 1HH1 ARG 27 1.421 -11.097 7.013
205 HH12 ARG 27 2HH1 ARG 27 -0.110 -11.855 7.133
206 HH21 ARG 27 1HH2 ARG 27 -1.140 -11.253 3.826
207 HH22 ARG 27 2HH2 ARG 27 -1.576 -11.925 5.325
208 H TRP 28 H TRP 28 2.391 -3.969 3.353
209 HA TRP 28 HA TRP 28 -0.424 -3.407 3.504
210 HB2 TRP 28 HB3 TRP 28 -0.036 -1.609 5.212
211 HB3 TRP 28 HB2 TRP 28 0.179 -3.231 5.831
212 HD1 TRP 28 HD TRP 28 2.515 -0.436 4.437
213 HE1 TRP 28 1HE TRP 28 4.602 -0.364 5.950
214 HE3 TRP 28 3HE TRP 28 1.367 -4.250 7.631
215 HZ2 TRP 28 2HZ TRP 28 5.630 -1.731 8.185
216 HZ3 TRP 28 3HZ TRP 28 2.946 -4.796 9.434
217 HH2 TRP 28 HH TRP 28 5.035 -3.556 9.700
218 H CYS 29 H CYS 29 -0.648 -0.862 3.195
219 HA CYS 29 HA CYS 29 0.619 -0.412 0.716
220 HB2 CYS 29 HB3 CYS 29 -1.644 0.347 0.965
221 HB3 CYS 29 HB2 CYS 29 -1.208 1.362 2.342
222 H LYS 30 H LYS 30 2.197 0.875 0.173
223 HA LYS 30 HA LYS 30 3.156 2.885 1.968
224 HB2 LYS 30 HB3 LYS 30 4.903 0.660 0.988
225 HB3 LYS 30 HB2 LYS 30 5.543 2.252 1.269
226 HG2 LYS 30 2HG LYS 30 4.809 2.009 3.669
227 HG3 LYS 30 1HG LYS 30 4.356 0.340 3.272
228 HD2 LYS 30 2HD LYS 30 6.606 -0.178 2.650
229 HD3 LYS 30 1HD LYS 30 7.087 1.507 2.812
230 HE2 LYS 30 2HE LYS 30 6.683 1.401 5.210
231 HE3 LYS 30 1HE LYS 30 6.138 -0.270 5.047
232 HZ1 LYS 30 1HZ LYS 30 8.442 -0.158 5.768
233 HZ2 LYS 30 2HZ LYS 30 8.858 0.693 4.355
234 HZ3 LYS 30 3HZ LYS 30 8.267 -0.896 4.270
235 H TYR 31 H TYR 31 5.070 4.037 0.808
236 HA TYR 31 HA TYR 31 3.881 5.085 -1.580
237 HB2 TYR 31 HB3 TYR 31 4.947 6.404 0.337
238 HB3 TYR 31 HB2 TYR 31 6.488 5.791 -0.234
239 HD1 TYR 31 1HD TYR 31 3.521 7.714 -1.356
240 HD2 TYR 31 2HD TYR 31 7.684 7.030 -1.817
241 HE1 TYR 31 1HE TYR 31 3.669 9.663 -2.818
242 HE2 TYR 31 2HE TYR 31 7.848 8.978 -3.289
243 HH TYR 31 HH TYR 31 6.281 10.269 -4.786
244 H ASP 32 H ASP 32 4.607 4.608 -3.570
245 HA ASP 32 HA ASP 32 6.093 2.290 -4.006
246 HB2 ASP 32 HB3 ASP 32 4.541 3.116 -5.690
247 HB3 ASP 32 HB2 ASP 32 5.582 4.503 -5.995
248 H LEU 33 H LEU 33 7.134 5.566 -4.196
249 HA LEU 33 HA LEU 33 9.865 4.658 -4.696
250 HB2 LEU 33 HB3 LEU 33 8.799 7.490 -4.618
251 HB3 LEU 33 HB2 LEU 33 10.468 7.080 -4.915
252 HG LEU 33 HG LEU 33 9.582 5.802 -6.972
253 HD11 LEU 33 HD11 LEU 33 7.195 7.549 -6.428
254 HD12 LEU 33 HD12 LEU 33 7.238 5.785 -6.443
255 HD13 LEU 33 HD13 LEU 33 7.514 6.687 -7.933
256 HD21 LEU 33 HD21 LEU 33 10.894 7.832 -7.125
257 HD22 LEU 33 HD22 LEU 33 9.453 8.810 -6.858
258 HD23 LEU 33 HD23 LEU 33 9.603 7.846 -8.326
259 HN1 NH2 34 HN1 NH2 34 10.030 3.690 -2.660
260 HN2 NH2 34 HN2 NH2 34 10.439 4.608 -1.255
Start of MODEL 14
1 H1 ASP 1 1HT ASP 1 -13.601 4.537 -0.527
2 H2 ASP 1 2HT ASP 1 -13.112 5.049 -2.027
3 H3 ASP 1 3HT ASP 1 -14.262 5.954 -1.192
4 HA ASP 1 HA ASP 1 -12.106 7.028 -1.093
5 HB2 ASP 1 HB3 ASP 1 -12.704 5.619 1.524
6 HB3 ASP 1 HB2 ASP 1 -11.716 7.060 1.336
7 H CYS 2 H CYS 2 -9.871 6.802 -0.097
8 HA CYS 2 HA CYS 2 -9.014 4.044 -0.298
9 HB2 CYS 2 HB3 CYS 2 -6.865 4.896 -1.093
10 HB3 CYS 2 HB2 CYS 2 -8.164 4.938 -2.265
11 H LEU 3 H LEU 3 -6.787 3.777 0.590
12 HA LEU 3 HA LEU 3 -6.906 4.595 3.351
13 HB2 LEU 3 HB3 LEU 3 -5.006 2.707 2.050
14 HB3 LEU 3 HB2 LEU 3 -5.582 2.748 3.702
15 HG LEU 3 HG LEU 3 -7.265 2.079 1.331
16 HD11 LEU 3 HD11 LEU 3 -5.932 0.266 3.374
17 HD12 LEU 3 HD12 LEU 3 -5.545 0.371 1.654
18 HD13 LEU 3 HD13 LEU 3 -7.102 -0.272 2.173
19 HD21 LEU 3 HD21 LEU 3 -7.790 1.783 4.292
20 HD22 LEU 3 HD22 LEU 3 -8.849 1.184 3.016
21 HD23 LEU 3 HD23 LEU 3 -8.574 2.918 3.193
22 H GLY 4 H GLY 4 -5.115 5.575 4.382
23 HA2 GLY 4 2HA GLY 4 -3.165 6.931 2.783
24 HA3 GLY 4 1HA GLY 4 -3.263 6.899 4.553
25 H TRP 5 H TRP 5 -0.701 6.469 3.724
26 HA TRP 5 HA TRP 5 -0.537 3.765 3.122
27 HB2 TRP 5 HB3 TRP 5 1.528 4.156 2.448
28 HB3 TRP 5 HB2 TRP 5 0.858 5.724 2.226
29 HD1 TRP 5 HD TRP 5 3.556 3.890 4.080
30 HE1 TRP 5 1HE TRP 5 5.140 5.508 5.148
31 HE3 TRP 5 3HE TRP 5 0.762 8.113 3.500
32 HZ2 TRP 5 2HZ TRP 5 5.189 8.319 5.779
33 HZ3 TRP 5 3HZ TRP 5 1.647 10.237 4.382
34 HH2 TRP 5 HH TRP 5 3.811 10.332 5.492
35 H PHE 6 H PHE 6 1.284 2.666 4.262
36 HA PHE 6 HA PHE 6 2.026 1.471 5.959
37 HB2 PHE 6 HB3 PHE 6 2.404 3.842 6.977
38 HB3 PHE 6 HB2 PHE 6 1.002 3.477 7.968
39 HD1 PHE 6 1HD PHE 6 1.225 2.130 9.910
40 HD2 PHE 6 2HD PHE 6 4.418 2.403 7.116
41 HE1 PHE 6 1HE PHE 6 2.718 1.020 11.511
42 HE2 PHE 6 2HE PHE 6 5.911 1.290 8.705
43 HZ PHE 6 HZ PHE 6 5.082 0.597 10.893
44 H LYS 7 H LYS 7 -1.100 2.016 5.234
45 HA LYS 7 HA LYS 7 -2.221 0.308 7.209
46 HB2 LYS 7 HB3 LYS 7 -3.370 1.431 4.681
47 HB3 LYS 7 HB2 LYS 7 -4.258 0.698 5.994
48 HG2 LYS 7 2HG LYS 7 -2.647 3.214 6.234
49 HG3 LYS 7 1HG LYS 7 -4.381 3.179 5.989
50 HD2 LYS 7 2HD LYS 7 -2.874 2.009 8.351
51 HD3 LYS 7 1HD LYS 7 -3.745 3.536 8.361
52 HE2 LYS 7 2HE LYS 7 -5.002 0.822 7.895
53 HE3 LYS 7 1HE LYS 7 -5.004 1.699 9.417
54 HZ1 LYS 7 1HZ LYS 7 -6.260 2.662 6.902
55 HZ2 LYS 7 2HZ LYS 7 -6.271 3.446 8.394
56 HZ3 LYS 7 3HZ LYS 7 -7.055 1.979 8.219
57 H SER 8 H SER 8 -3.042 -1.579 6.690
58 HA SER 8 HA SER 8 -1.487 -3.390 5.297
59 HB2 SER 8 HB3 SER 8 -4.315 -3.703 6.226
60 HB3 SER 8 HB2 SER 8 -3.062 -4.939 6.074
61 HG SER 8 HG SER 8 -2.168 -4.296 7.895
62 H CYS 9 H CYS 9 -1.714 -4.362 3.281
63 HA CYS 9 HA CYS 9 -4.083 -3.937 1.762
64 HB2 CYS 9 HB3 CYS 9 -2.721 -3.104 -0.106
65 HB3 CYS 9 HB2 CYS 9 -2.887 -1.959 1.225
66 H ASP 10 H ASP 10 -3.520 -4.805 -0.493
67 HA ASP 10 HA ASP 10 -1.666 -7.063 -0.516
68 HB2 ASP 10 HB3 ASP 10 -3.975 -7.947 -0.200
69 HB3 ASP 10 HB2 ASP 10 -4.493 -7.051 -1.623
70 HA PRO 11 HA PRO 11 -0.286 -4.628 -3.934
71 HB2 PRO 11 HB3 PRO 11 1.069 -6.539 -5.343
72 HB3 PRO 11 HB2 PRO 11 1.699 -5.754 -3.889
73 HG2 PRO 11 2HG PRO 11 0.263 -8.361 -4.152
74 HG3 PRO 11 1HG PRO 11 1.758 -8.013 -3.257
75 HD2 PRO 11 2HD PRO 11 -0.561 -8.197 -1.985
76 HD3 PRO 11 1HD PRO 11 0.588 -6.912 -1.544
77 H LYS 12 H LYS 12 -2.206 -7.558 -4.590
78 HA LYS 12 HA LYS 12 -2.567 -6.767 -7.301
79 HB2 LYS 12 HB3 LYS 12 -2.371 -9.139 -6.430
80 HB3 LYS 12 HB2 LYS 12 -3.981 -8.933 -5.770
81 HG2 LYS 12 2HG LYS 12 -4.093 -10.087 -7.890
82 HG3 LYS 12 1HG LYS 12 -4.840 -8.487 -8.028
83 HD2 LYS 12 2HD LYS 12 -2.796 -7.599 -8.936
84 HD3 LYS 12 1HD LYS 12 -2.028 -9.166 -8.768
85 HE2 LYS 12 2HE LYS 12 -3.684 -10.114 -10.367
86 HE3 LYS 12 1HE LYS 12 -4.402 -8.516 -10.532
87 HZ1 LYS 12 1HZ LYS 12 -2.877 -8.989 -12.359
88 HZ2 LYS 12 2HZ LYS 12 -1.614 -9.221 -11.286
89 HZ3 LYS 12 3HZ LYS 12 -2.313 -7.704 -11.435
90 H ASN 13 H ASN 13 -3.976 -6.291 -4.256
91 HA ASN 13 HA ASN 13 -6.331 -5.073 -5.521
92 HB2 ASN 13 HB3 ASN 13 -7.011 -7.185 -4.415
93 HB3 ASN 13 HB2 ASN 13 -6.362 -6.583 -2.893
94 HD21 ASN 13 HD21 ASN 13 -8.262 -6.582 -1.807
95 HD22 ASN 13 HD22 ASN 13 -9.612 -5.586 -2.191
96 H ASP 14 H ASP 14 -4.905 -3.255 -5.421
97 HA ASP 14 HA ASP 14 -4.162 -2.230 -2.840
98 HB2 ASP 14 HB3 ASP 14 -2.830 -1.898 -4.891
99 HB3 ASP 14 HB2 ASP 14 -4.124 -0.852 -5.509
100 H LYS 15 H LYS 15 -5.147 -0.759 -1.761
101 HA LYS 15 HA LYS 15 -7.650 0.392 -2.757
102 HB2 LYS 15 HB3 LYS 15 -7.117 -0.958 -0.123
103 HB3 LYS 15 HB2 LYS 15 -8.488 0.100 -0.407
104 HG2 LYS 15 2HG LYS 15 -9.332 -1.420 -2.123
105 HG3 LYS 15 1HG LYS 15 -7.904 -2.437 -1.947
106 HD2 LYS 15 2HD LYS 15 -9.842 -3.396 -0.784
107 HD3 LYS 15 1HD LYS 15 -8.558 -2.978 0.346
108 HE2 LYS 15 2HE LYS 15 -10.752 -2.350 1.220
109 HE3 LYS 15 1HE LYS 15 -9.752 -0.930 0.955
110 HZ1 LYS 15 1HZ LYS 15 -11.973 -0.546 0.194
111 HZ2 LYS 15 2HZ LYS 15 -11.957 -1.880 -0.816
112 HZ3 LYS 15 3HZ LYS 15 -10.973 -0.555 -1.142
113 H CYS 16 H CYS 16 -4.719 1.206 -2.174
114 HA CYS 16 HA CYS 16 -5.156 3.196 -0.119
115 HB2 CYS 16 HB3 CYS 16 -2.646 2.247 -1.517
116 HB3 CYS 16 HB2 CYS 16 -2.697 3.473 -0.256
117 H CYS 17 H CYS 17 -4.119 5.398 -0.650
118 HA CYS 17 HA CYS 17 -5.234 6.303 -3.045
119 HB2 CYS 17 HB3 CYS 17 -3.536 7.625 -0.937
120 HB3 CYS 17 HB2 CYS 17 -4.444 8.453 -2.192
121 H LYS 18 H LYS 18 -3.683 7.901 -4.356
122 HA LYS 18 HA LYS 18 -1.814 6.281 -5.545
123 HB2 LYS 18 HB3 LYS 18 -2.767 9.075 -5.759
124 HB3 LYS 18 HB2 LYS 18 -1.608 8.335 -6.819
125 HG2 LYS 18 2HG LYS 18 -4.494 7.508 -6.454
126 HG3 LYS 18 1HG LYS 18 -3.841 8.384 -7.833
127 HD2 LYS 18 2HD LYS 18 -3.918 6.239 -8.701
128 HD3 LYS 18 1HD LYS 18 -2.294 6.250 -8.034
129 HE2 LYS 18 2HE LYS 18 -3.160 5.072 -5.991
130 HE3 LYS 18 1HE LYS 18 -4.752 5.093 -6.724
131 HZ1 LYS 18 1HZ LYS 18 -4.003 3.724 -8.473
132 HZ2 LYS 18 2HZ LYS 18 -3.562 2.985 -7.009
133 HZ3 LYS 18 3HZ LYS 18 -2.404 3.792 -7.946
134 H ASN 19 H ASN 19 0.236 7.192 -6.077
135 HA ASN 19 HA ASN 19 2.320 7.794 -5.606
136 HB2 ASN 19 HB3 ASN 19 1.171 9.370 -3.276
137 HB3 ASN 19 HB2 ASN 19 2.881 9.349 -3.699
138 HD21 ASN 19 HD21 ASN 19 0.927 11.549 -3.648
139 HD22 ASN 19 HD22 ASN 19 0.970 12.237 -5.229
140 H TYR 20 H TYR 20 0.416 6.597 -3.088
141 HA TYR 20 HA TYR 20 2.582 5.159 -1.870
142 HB2 TYR 20 HB3 TYR 20 -0.359 4.766 -1.384
143 HB3 TYR 20 HB2 TYR 20 0.996 4.467 -0.309
144 HD1 TYR 20 1HD TYR 20 2.464 6.763 0.101
145 HD2 TYR 20 2HD TYR 20 -1.674 6.521 -0.804
146 HE1 TYR 20 1HE TYR 20 2.125 8.977 1.092
147 HE2 TYR 20 2HE TYR 20 -2.034 8.732 0.181
148 HH TYR 20 HH TYR 20 0.564 10.808 0.971
149 H THR 21 H THR 21 2.740 2.945 -2.035
150 HA THR 21 HA THR 21 0.976 1.560 -3.888
151 HB THR 21 HB THR 21 3.982 1.326 -3.968
152 HG1 THR 21 1HG THR 21 2.267 3.150 -5.037
153 HG21 THR 21 1HG2 THR 21 1.839 0.415 -5.902
154 HG22 THR 21 2HG2 THR 21 2.751 -0.626 -4.809
155 HG23 THR 21 3HG2 THR 21 3.575 0.199 -6.133
156 H CYS 22 H CYS 22 0.913 -0.635 -3.416
157 HA CYS 22 HA CYS 22 1.292 -1.178 -0.633
158 HB2 CYS 22 HB3 CYS 22 -0.730 -1.842 -1.752
159 HB3 CYS 22 HB2 CYS 22 0.206 -2.917 -2.811
160 H SER 23 H SER 23 2.680 -2.424 0.277
161 HA SER 23 HA SER 23 4.730 -3.676 -1.388
162 HB2 SER 23 HB3 SER 23 5.529 -2.099 0.349
163 HB3 SER 23 HB2 SER 23 4.693 -3.041 1.575
164 HG SER 23 HG SER 23 6.803 -3.927 -0.088
165 H ARG 24 H ARG 24 4.875 -5.880 -1.363
166 HA ARG 24 HA ARG 24 2.874 -7.294 0.199
167 HB2 ARG 24 HB3 ARG 24 3.619 -7.711 -2.324
168 HB3 ARG 24 HB2 ARG 24 4.851 -8.699 -1.564
169 HG2 ARG 24 2HG ARG 24 1.889 -9.069 -1.125
170 HG3 ARG 24 1HG ARG 24 2.813 -9.939 -2.336
171 HD2 ARG 24 2HD ARG 24 4.132 -10.988 -0.617
172 HD3 ARG 24 1HD ARG 24 3.343 -10.007 0.626
173 HE ARG 24 HE ARG 24 1.279 -11.218 -0.532
174 HH11 ARG 24 1HH1 ARG 24 4.317 -12.568 0.602
175 HH12 ARG 24 2HH1 ARG 24 3.662 -14.047 1.107
176 HH21 ARG 24 1HH2 ARG 24 0.342 -13.228 0.160
177 HH22 ARG 24 2HH2 ARG 24 1.334 -14.416 0.889
178 H ARG 25 H ARG 25 6.160 -6.475 0.204
179 HA ARG 25 HA ARG 25 7.112 -8.541 1.903
180 HB2 ARG 25 HB3 ARG 25 8.584 -7.267 0.435
181 HB3 ARG 25 HB2 ARG 25 8.148 -5.790 1.258
182 HG2 ARG 25 2HG ARG 25 10.302 -6.446 2.001
183 HG3 ARG 25 1HG ARG 25 9.120 -6.652 3.300
184 HD2 ARG 25 2HD ARG 25 10.046 -8.913 1.534
185 HD3 ARG 25 1HD ARG 25 10.848 -8.527 3.054
186 HE ARG 25 HE ARG 25 8.515 -8.928 4.028
187 HH11 ARG 25 1HH1 ARG 25 9.843 -10.717 1.270
188 HH12 ARG 25 2HH1 ARG 25 8.890 -12.103 1.525
189 HH21 ARG 25 1HH2 ARG 25 7.254 -10.861 4.409
190 HH22 ARG 25 2HH2 ARG 25 7.391 -12.197 3.364
191 H ASP 26 H ASP 26 6.383 -5.115 2.330
192 HA ASP 26 HA ASP 26 6.375 -5.384 5.195
193 HB2 ASP 26 HB3 ASP 26 5.726 -3.040 3.396
194 HB3 ASP 26 HB2 ASP 26 5.609 -2.964 5.147
195 H ARG 27 H ARG 27 4.069 -5.656 2.668
196 HA ARG 27 HA ARG 27 1.978 -6.171 2.545
197 HB2 ARG 27 HB3 ARG 27 2.208 -6.763 5.482
198 HB3 ARG 27 HB2 ARG 27 0.774 -7.030 4.490
199 HG2 ARG 27 2HG ARG 27 2.023 -8.555 3.063
200 HG3 ARG 27 1HG ARG 27 3.455 -8.304 4.062
201 HD2 ARG 27 2HD ARG 27 2.259 -10.363 4.655
202 HD3 ARG 27 1HD ARG 27 2.319 -9.198 5.981
203 HE ARG 27 HE ARG 27 -0.027 -9.066 4.327
204 HH11 ARG 27 1HH1 ARG 27 1.422 -10.565 7.184
205 HH12 ARG 27 2HH1 ARG 27 -0.044 -10.768 8.019
206 HH21 ARG 27 1HH2 ARG 27 -2.079 -9.361 5.483
207 HH22 ARG 27 2HH2 ARG 27 -2.066 -10.062 7.038
208 H TRP 28 H TRP 28 2.915 -3.471 3.494
209 HA TRP 28 HA TRP 28 0.242 -2.407 3.625
210 HB2 TRP 28 HB3 TRP 28 0.943 -0.642 5.245
211 HB3 TRP 28 HB2 TRP 28 0.915 -2.246 5.941
212 HD1 TRP 28 HD TRP 28 3.594 0.149 4.436
213 HE1 TRP 28 1HE TRP 28 5.733 -0.070 5.887
214 HE3 TRP 28 3HE TRP 28 2.007 -3.422 7.714
215 HZ2 TRP 28 2HZ TRP 28 6.609 -1.556 8.111
216 HZ3 TRP 28 3HZ TRP 28 3.547 -4.181 9.478
217 HH2 TRP 28 HH TRP 28 5.801 -3.261 9.665
218 H CYS 29 H CYS 29 0.094 -0.192 2.887
219 HA CYS 29 HA CYS 29 1.643 0.184 0.582
220 HB2 CYS 29 HB3 CYS 29 -0.473 1.749 1.994
221 HB3 CYS 29 HB2 CYS 29 0.243 2.248 0.467
222 H LYS 30 H LYS 30 3.301 1.550 0.250
223 HA LYS 30 HA LYS 30 3.882 3.560 2.285
224 HB2 LYS 30 HB3 LYS 30 6.006 1.980 0.855
225 HB3 LYS 30 HB2 LYS 30 6.196 3.164 2.107
226 HG2 LYS 30 2HG LYS 30 5.215 1.721 3.759
227 HG3 LYS 30 1HG LYS 30 4.847 0.514 2.528
228 HD2 LYS 30 2HD LYS 30 7.601 1.417 3.367
229 HD3 LYS 30 1HD LYS 30 6.823 -0.104 3.810
230 HE2 LYS 30 2HE LYS 30 6.725 -0.702 1.408
231 HE3 LYS 30 1HE LYS 30 7.608 0.774 1.027
232 HZ1 LYS 30 1HZ LYS 30 8.561 -1.528 2.614
233 HZ2 LYS 30 2HZ LYS 30 9.374 -0.063 2.522
234 HZ3 LYS 30 3HZ LYS 30 9.166 -0.981 1.123
235 H TYR 31 H TYR 31 5.614 5.093 1.218
236 HA TYR 31 HA TYR 31 4.296 6.015 -1.161
237 HB2 TYR 31 HB3 TYR 31 5.084 7.525 0.692
238 HB3 TYR 31 HB2 TYR 31 6.735 7.131 0.246
239 HD1 TYR 31 1HD TYR 31 7.632 7.914 -1.965
240 HD2 TYR 31 2HD TYR 31 3.806 9.089 -0.532
241 HE1 TYR 31 1HE TYR 31 7.598 9.757 -3.576
242 HE2 TYR 31 2HE TYR 31 3.763 10.926 -2.136
243 HH TYR 31 HH TYR 31 5.394 12.282 -3.367
244 H ASP 32 H ASP 32 4.885 5.385 -3.106
245 HA ASP 32 HA ASP 32 7.636 4.397 -3.474
246 HB2 ASP 32 HB3 ASP 32 6.065 2.529 -3.623
247 HB3 ASP 32 HB2 ASP 32 5.151 3.382 -4.860
248 H LEU 33 H LEU 33 4.972 5.490 -5.404
249 HA LEU 33 HA LEU 33 6.514 7.635 -6.519
250 HB2 LEU 33 HB3 LEU 33 7.150 5.457 -7.823
251 HB3 LEU 33 HB2 LEU 33 5.544 5.572 -8.494
252 HG LEU 33 HG LEU 33 7.668 7.709 -8.820
253 HD11 LEU 33 HD11 LEU 33 8.375 5.661 -9.893
254 HD12 LEU 33 HD12 LEU 33 7.934 6.877 -11.092
255 HD13 LEU 33 HD13 LEU 33 6.831 5.549 -10.739
256 HD21 LEU 33 HD21 LEU 33 6.232 8.537 -10.637
257 HD22 LEU 33 HD22 LEU 33 5.387 8.569 -9.090
258 HD23 LEU 33 HD23 LEU 33 5.034 7.298 -10.257
259 HN1 NH2 34 HN1 NH2 34 5.042 9.091 -6.254
260 HN2 NH2 34 HN2 NH2 34 3.364 8.972 -6.644
Start of MODEL 15
1 H1 ASP 1 1HT ASP 1 -13.417 5.458 0.267
2 H2 ASP 1 2HT ASP 1 -12.897 6.158 -1.142
3 H3 ASP 1 3HT ASP 1 -13.805 7.076 -0.055
4 HA ASP 1 HA ASP 1 -11.447 7.648 0.054
5 HB2 ASP 1 HB3 ASP 1 -12.381 6.016 2.423
6 HB3 ASP 1 HB2 ASP 1 -10.978 7.064 2.443
7 H CYS 2 H CYS 2 -9.280 6.861 0.674
8 HA CYS 2 HA CYS 2 -8.960 4.055 -0.139
9 HB2 CYS 2 HB3 CYS 2 -6.739 4.641 -0.769
10 HB3 CYS 2 HB2 CYS 2 -7.879 5.616 -1.701
11 H LEU 3 H LEU 3 -6.568 3.530 0.656
12 HA LEU 3 HA LEU 3 -6.639 3.679 3.522
13 HB2 LEU 3 HB3 LEU 3 -4.586 2.411 1.756
14 HB3 LEU 3 HB2 LEU 3 -4.973 2.071 3.424
15 HG LEU 3 HG LEU 3 -6.698 1.490 1.074
16 HD11 LEU 3 HD11 LEU 3 -4.736 0.049 1.124
17 HD12 LEU 3 HD12 LEU 3 -6.127 -0.909 1.648
18 HD13 LEU 3 HD13 LEU 3 -4.985 -0.294 2.834
19 HD21 LEU 3 HD21 LEU 3 -8.026 1.893 3.055
20 HD22 LEU 3 HD22 LEU 3 -7.046 0.757 3.983
21 HD23 LEU 3 HD23 LEU 3 -8.062 0.175 2.663
22 H GLY 4 H GLY 4 -5.029 4.782 4.648
23 HA2 GLY 4 2HA GLY 4 -3.237 6.412 3.103
24 HA3 GLY 4 1HA GLY 4 -3.397 6.429 4.875
25 H TRP 5 H TRP 5 -0.750 6.110 3.968
26 HA TRP 5 HA TRP 5 -0.510 3.404 3.499
27 HB2 TRP 5 HB3 TRP 5 1.549 3.839 2.845
28 HB3 TRP 5 HB2 TRP 5 0.873 5.404 2.643
29 HD1 TRP 5 HD TRP 5 3.668 3.634 4.288
30 HE1 TRP 5 1HE TRP 5 5.145 5.199 5.510
31 HE3 TRP 5 3HE TRP 5 0.574 7.707 4.266
32 HZ2 TRP 5 2HZ TRP 5 5.035 7.914 6.473
33 HZ3 TRP 5 3HZ TRP 5 1.348 9.753 5.386
34 HH2 TRP 5 HH TRP 5 3.528 9.852 6.462
35 H PHE 6 H PHE 6 1.147 2.254 4.720
36 HA PHE 6 HA PHE 6 1.692 1.036 6.463
37 HB2 PHE 6 HB3 PHE 6 0.801 3.387 8.125
38 HB3 PHE 6 HB2 PHE 6 1.203 1.833 8.843
39 HD1 PHE 6 1HD PHE 6 3.520 0.869 7.796
40 HD2 PHE 6 2HD PHE 6 2.485 4.964 8.265
41 HE1 PHE 6 1HE PHE 6 5.902 1.454 7.878
42 HE2 PHE 6 2HE PHE 6 4.870 5.555 8.337
43 HZ PHE 6 HZ PHE 6 6.588 3.775 8.143
44 H LYS 7 H LYS 7 -1.363 1.664 5.477
45 HA LYS 7 HA LYS 7 -2.574 -0.130 7.352
46 HB2 LYS 7 HB3 LYS 7 -3.730 1.132 4.910
47 HB3 LYS 7 HB2 LYS 7 -4.576 0.426 6.263
48 HG2 LYS 7 2HG LYS 7 -2.865 2.857 6.509
49 HG3 LYS 7 1HG LYS 7 -4.597 2.921 6.256
50 HD2 LYS 7 2HD LYS 7 -4.868 1.607 8.371
51 HD3 LYS 7 1HD LYS 7 -3.117 1.688 8.583
52 HE2 LYS 7 2HE LYS 7 -4.962 4.045 8.386
53 HE3 LYS 7 1HE LYS 7 -4.317 3.391 9.893
54 HZ1 LYS 7 1HZ LYS 7 -2.074 3.985 9.124
55 HZ2 LYS 7 2HZ LYS 7 -3.081 5.325 9.116
56 HZ3 LYS 7 3HZ LYS 7 -2.707 4.589 7.679
57 H SER 8 H SER 8 -3.260 -2.026 6.731
58 HA SER 8 HA SER 8 -1.661 -3.477 4.951
59 HB2 SER 8 HB3 SER 8 -4.146 -4.299 6.429
60 HB3 SER 8 HB2 SER 8 -2.855 -5.335 5.817
61 HG SER 8 HG SER 8 -2.663 -4.872 8.064
62 H CYS 9 H CYS 9 -2.241 -4.531 3.025
63 HA CYS 9 HA CYS 9 -4.790 -3.932 1.918
64 HB2 CYS 9 HB3 CYS 9 -3.591 -3.034 -0.123
65 HB3 CYS 9 HB2 CYS 9 -3.745 -1.967 1.274
66 H ASP 10 H ASP 10 -4.632 -4.638 -0.512
67 HA ASP 10 HA ASP 10 -3.301 -7.256 -0.771
68 HB2 ASP 10 HB3 ASP 10 -5.818 -7.288 -0.647
69 HB3 ASP 10 HB2 ASP 10 -5.850 -6.232 -2.049
70 HA PRO 11 HA PRO 11 -1.299 -4.894 -3.998
71 HB2 PRO 11 HB3 PRO 11 0.211 -6.891 -5.020
72 HB3 PRO 11 HB2 PRO 11 0.628 -6.047 -3.518
73 HG2 PRO 11 2HG PRO 11 -0.636 -8.722 -3.926
74 HG3 PRO 11 1HG PRO 11 0.530 -8.210 -2.696
75 HD2 PRO 11 2HD PRO 11 -2.168 -8.483 -2.259
76 HD3 PRO 11 1HD PRO 11 -1.108 -7.413 -1.320
77 H LYS 12 H LYS 12 -3.191 -7.813 -4.600
78 HA LYS 12 HA LYS 12 -2.994 -7.683 -7.413
79 HB2 LYS 12 HB3 LYS 12 -4.806 -9.174 -5.531
80 HB3 LYS 12 HB2 LYS 12 -4.625 -9.474 -7.247
81 HG2 LYS 12 2HG LYS 12 -2.305 -10.160 -6.888
82 HG3 LYS 12 1HG LYS 12 -2.470 -9.810 -5.166
83 HD2 LYS 12 2HD LYS 12 -4.249 -11.501 -5.012
84 HD3 LYS 12 1HD LYS 12 -4.032 -11.869 -6.724
85 HE2 LYS 12 2HE LYS 12 -2.871 -13.518 -5.393
86 HE3 LYS 12 1HE LYS 12 -1.702 -12.520 -6.253
87 HZ1 LYS 12 1HZ LYS 12 -1.084 -12.955 -3.955
88 HZ2 LYS 12 2HZ LYS 12 -2.455 -12.154 -3.394
89 HZ3 LYS 12 3HZ LYS 12 -1.247 -11.312 -4.225
90 H ASN 13 H ASN 13 -4.972 -6.453 -4.854
91 HA ASN 13 HA ASN 13 -6.206 -4.690 -6.754
92 HB2 ASN 13 HB3 ASN 13 -7.787 -6.614 -6.506
93 HB3 ASN 13 HB2 ASN 13 -7.941 -6.220 -4.806
94 HD21 ASN 13 HD21 ASN 13 -9.883 -6.155 -7.092
95 HD22 ASN 13 HD22 ASN 13 -10.583 -4.574 -7.033
96 H ASP 14 H ASP 14 -4.945 -3.250 -5.943
97 HA ASP 14 HA ASP 14 -4.459 -2.620 -3.255
98 HB2 ASP 14 HB3 ASP 14 -2.999 -2.083 -5.177
99 HB3 ASP 14 HB2 ASP 14 -4.188 -0.896 -5.703
100 H LYS 15 H LYS 15 -5.244 -1.046 -2.012
101 HA LYS 15 HA LYS 15 -7.746 0.296 -2.815
102 HB2 LYS 15 HB3 LYS 15 -7.013 -0.943 -0.181
103 HB3 LYS 15 HB2 LYS 15 -8.447 0.017 -0.476
104 HG2 LYS 15 2HG LYS 15 -7.779 -2.620 -1.767
105 HG3 LYS 15 1HG LYS 15 -8.901 -2.393 -0.427
106 HD2 LYS 15 2HD LYS 15 -10.238 -0.893 -1.909
107 HD3 LYS 15 1HD LYS 15 -9.161 -1.341 -3.237
108 HE2 LYS 15 2HE LYS 15 -10.867 -3.224 -1.622
109 HE3 LYS 15 1HE LYS 15 -11.205 -2.675 -3.259
110 HZ1 LYS 15 1HZ LYS 15 -10.211 -4.868 -3.244
111 HZ2 LYS 15 2HZ LYS 15 -8.856 -4.303 -2.429
112 HZ3 LYS 15 3HZ LYS 15 -9.183 -3.764 -4.000
113 H CYS 16 H CYS 16 -4.697 0.991 -2.402
114 HA CYS 16 HA CYS 16 -4.966 2.967 -0.263
115 HB2 CYS 16 HB3 CYS 16 -3.066 1.168 -0.390
116 HB3 CYS 16 HB2 CYS 16 -2.435 2.143 -1.706
117 H CYS 17 H CYS 17 -3.969 5.177 -0.886
118 HA CYS 17 HA CYS 17 -4.958 5.835 -3.410
119 HB2 CYS 17 HB3 CYS 17 -3.770 7.331 -1.146
120 HB3 CYS 17 HB2 CYS 17 -3.766 8.094 -2.723
121 H LYS 18 H LYS 18 -3.449 7.490 -4.634
122 HA LYS 18 HA LYS 18 -1.442 5.808 -5.744
123 HB2 LYS 18 HB3 LYS 18 -3.093 7.083 -7.135
124 HB3 LYS 18 HB2 LYS 18 -2.393 8.574 -6.550
125 HG2 LYS 18 2HG LYS 18 -0.564 6.677 -7.928
126 HG3 LYS 18 1HG LYS 18 -1.765 7.474 -8.927
127 HD2 LYS 18 2HD LYS 18 0.215 8.879 -7.132
128 HD3 LYS 18 1HD LYS 18 0.407 8.650 -8.869
129 HE2 LYS 18 2HE LYS 18 -1.818 10.208 -7.523
130 HE3 LYS 18 1HE LYS 18 -0.419 10.884 -8.337
131 HZ1 LYS 18 1HZ LYS 18 -1.186 9.888 -10.412
132 HZ2 LYS 18 2HZ LYS 18 -2.329 10.929 -9.769
133 HZ3 LYS 18 3HZ LYS 18 -2.560 9.273 -9.649
134 H ASN 19 H ASN 19 0.607 6.813 -6.255
135 HA ASN 19 HA ASN 19 2.633 7.669 -5.725
136 HB2 ASN 19 HB3 ASN 19 1.297 9.184 -3.460
137 HB3 ASN 19 HB2 ASN 19 3.000 9.309 -3.900
138 HD21 ASN 19 HD21 ASN 19 -0.231 10.297 -4.603
139 HD22 ASN 19 HD22 ASN 19 0.160 11.455 -5.815
140 H TYR 20 H TYR 20 0.625 6.620 -3.222
141 HA TYR 20 HA TYR 20 2.724 5.128 -1.933
142 HB2 TYR 20 HB3 TYR 20 -0.247 5.329 -1.419
143 HB3 TYR 20 HB2 TYR 20 0.915 4.488 -0.417
144 HD1 TYR 20 1HD TYR 20 -0.526 7.743 -1.184
145 HD2 TYR 20 2HD TYR 20 2.667 5.755 0.791
146 HE1 TYR 20 1HE TYR 20 -0.036 9.787 0.080
147 HE2 TYR 20 2HE TYR 20 3.158 7.780 2.062
148 HH TYR 20 HH TYR 20 1.078 10.372 2.259
149 H THR 21 H THR 21 2.425 2.823 -1.797
150 HA THR 21 HA THR 21 0.634 1.600 -3.738
151 HB THR 21 HB THR 21 3.577 1.028 -3.818
152 HG1 THR 21 1HG THR 21 2.087 3.042 -4.963
153 HG21 THR 21 1HG2 THR 21 1.328 0.386 -5.727
154 HG22 THR 21 2HG2 THR 21 2.136 -0.736 -4.637
155 HG23 THR 21 3HG2 THR 21 3.026 -0.029 -5.985
156 H CYS 22 H CYS 22 0.262 -0.529 -3.261
157 HA CYS 22 HA CYS 22 0.694 -1.329 -0.580
158 HB2 CYS 22 HB3 CYS 22 -1.291 -1.898 -1.923
159 HB3 CYS 22 HB2 CYS 22 -0.317 -3.062 -2.838
160 H SER 23 H SER 23 2.020 -2.781 0.220
161 HA SER 23 HA SER 23 4.102 -3.802 -1.575
162 HB2 SER 23 HB3 SER 23 4.861 -2.103 0.051
163 HB3 SER 23 HB2 SER 23 4.218 -3.078 1.360
164 HG SER 23 HG SER 23 6.398 -3.411 1.183
165 H ARG 24 H ARG 24 4.095 -5.981 -1.723
166 HA ARG 24 HA ARG 24 2.504 -7.568 0.070
167 HB2 ARG 24 HB3 ARG 24 2.735 -8.224 -2.310
168 HB3 ARG 24 HB2 ARG 24 4.461 -8.436 -2.082
169 HG2 ARG 24 2HG ARG 24 3.316 -10.595 -2.091
170 HG3 ARG 24 1HG ARG 24 4.042 -10.269 -0.522
171 HD2 ARG 24 2HD ARG 24 1.893 -9.553 0.350
172 HD3 ARG 24 1HD ARG 24 1.145 -9.832 -1.222
173 HE ARG 24 HE ARG 24 2.401 -12.176 -0.377
174 HH11 ARG 24 1HH1 ARG 24 -0.319 -10.135 0.589
175 HH12 ARG 24 2HH1 ARG 24 -1.267 -11.426 1.166
176 HH21 ARG 24 1HH2 ARG 24 1.107 -13.954 0.435
177 HH22 ARG 24 2HH2 ARG 24 -0.416 -13.622 1.120
178 H ARG 25 H ARG 25 5.697 -6.530 -0.251
179 HA ARG 25 HA ARG 25 7.171 -8.275 1.347
180 HB2 ARG 25 HB3 ARG 25 8.118 -6.570 -0.125
181 HB3 ARG 25 HB2 ARG 25 7.412 -5.309 0.866
182 HG2 ARG 25 2HG ARG 25 8.776 -6.204 2.758
183 HG3 ARG 25 1HG ARG 25 9.625 -7.187 1.555
184 HD2 ARG 25 2HD ARG 25 9.394 -4.176 1.553
185 HD3 ARG 25 1HD ARG 25 10.830 -5.086 2.007
186 HE ARG 25 HE ARG 25 10.139 -5.877 -0.560
187 HH11 ARG 25 1HH1 ARG 25 11.105 -2.872 1.003
188 HH12 ARG 25 2HH1 ARG 25 11.955 -2.257 -0.336
189 HH21 ARG 25 1HH2 ARG 25 11.265 -5.050 -2.421
190 HH22 ARG 25 2HH2 ARG 25 12.056 -3.543 -2.348
191 H ASP 26 H ASP 26 5.639 -5.191 2.073
192 HA ASP 26 HA ASP 26 6.077 -5.516 4.939
193 HB2 ASP 26 HB3 ASP 26 4.757 -3.246 3.433
194 HB3 ASP 26 HB2 ASP 26 5.190 -3.237 5.131
195 H ARG 27 H ARG 27 3.565 -5.891 2.607
196 HA ARG 27 HA ARG 27 1.578 -6.619 2.576
197 HB2 ARG 27 HB3 ARG 27 1.862 -7.135 5.527
198 HB3 ARG 27 HB2 ARG 27 0.446 -7.521 4.539
199 HG2 ARG 27 2HG ARG 27 1.746 -8.978 3.140
200 HG3 ARG 27 1HG ARG 27 3.211 -8.561 4.028
201 HD2 ARG 27 2HD ARG 27 2.302 -9.549 6.031
202 HD3 ARG 27 1HD ARG 27 0.790 -9.911 5.192
203 HE ARG 27 HE ARG 27 2.585 -11.114 3.647
204 HH11 ARG 27 1HH1 ARG 27 2.125 -11.248 7.146
205 HH12 ARG 27 2HH1 ARG 27 2.692 -12.847 7.290
206 HH21 ARG 27 1HH2 ARG 27 3.345 -13.268 3.832
207 HH22 ARG 27 2HH2 ARG 27 3.413 -14.028 5.356
208 H TRP 28 H TRP 28 2.405 -3.854 3.528
209 HA TRP 28 HA TRP 28 -0.316 -2.939 3.493
210 HB2 TRP 28 HB3 TRP 28 0.129 -1.206 5.206
211 HB3 TRP 28 HB2 TRP 28 0.236 -2.824 5.859
212 HD1 TRP 28 HD TRP 28 2.696 -0.163 4.525
213 HE1 TRP 28 1HE TRP 28 4.744 -0.135 6.104
214 HE3 TRP 28 3HE TRP 28 1.332 -3.904 7.694
215 HZ2 TRP 28 2HZ TRP 28 5.628 -1.477 8.375
216 HZ3 TRP 28 3HZ TRP 28 2.827 -4.469 9.561
217 HH2 TRP 28 HH TRP 28 4.936 -3.276 9.890
218 H CYS 29 H CYS 29 -0.335 -0.436 2.904
219 HA CYS 29 HA CYS 29 1.516 -0.316 0.786
220 HB2 CYS 29 HB3 CYS 29 0.176 1.550 0.064
221 HB3 CYS 29 HB2 CYS 29 -0.801 0.100 0.273
222 H LYS 30 H LYS 30 2.964 1.304 0.410
223 HA LYS 30 HA LYS 30 3.417 3.274 2.499
224 HB2 LYS 30 HB3 LYS 30 5.560 1.444 1.383
225 HB3 LYS 30 HB2 LYS 30 5.803 2.827 2.411
226 HG2 LYS 30 2HG LYS 30 4.908 1.784 4.285
227 HG3 LYS 30 1HG LYS 30 4.041 0.608 3.298
228 HD2 LYS 30 2HD LYS 30 5.881 -0.427 4.447
229 HD3 LYS 30 1HD LYS 30 6.136 -0.459 2.706
230 HE2 LYS 30 2HE LYS 30 7.642 1.486 2.967
231 HE3 LYS 30 1HE LYS 30 7.426 1.377 4.714
232 HZ1 LYS 30 1HZ LYS 30 9.415 0.183 4.185
233 HZ2 LYS 30 2HZ LYS 30 8.682 -0.621 2.917
234 HZ3 LYS 30 3HZ LYS 30 8.249 -1.014 4.477
235 H TYR 31 H TYR 31 5.306 4.742 1.635
236 HA TYR 31 HA TYR 31 4.325 5.781 -0.832
237 HB2 TYR 31 HB3 TYR 31 5.091 7.216 1.064
238 HB3 TYR 31 HB2 TYR 31 6.729 6.641 0.791
239 HD1 TYR 31 1HD TYR 31 8.110 7.694 -0.815
240 HD2 TYR 31 2HD TYR 31 3.927 8.462 -0.807
241 HE1 TYR 31 1HE TYR 31 8.434 9.471 -2.465
242 HE2 TYR 31 2HE TYR 31 4.245 10.239 -2.453
243 HH TYR 31 HH TYR 31 7.092 10.652 -4.197
244 H ASP 32 H ASP 32 5.020 5.266 -2.741
245 HA ASP 32 HA ASP 32 7.662 3.975 -3.007
246 HB2 ASP 32 HB3 ASP 32 5.850 2.333 -3.319
247 HB3 ASP 32 HB2 ASP 32 5.161 3.337 -4.584
248 H LEU 33 H LEU 33 5.190 5.432 -4.929
249 HA LEU 33 HA LEU 33 7.107 6.460 -6.844
250 HB2 LEU 33 HB3 LEU 33 4.105 6.700 -6.672
251 HB3 LEU 33 HB2 LEU 33 5.057 7.359 -7.985
252 HG LEU 33 HG LEU 33 4.874 4.429 -7.293
253 HD11 LEU 33 HD11 LEU 33 3.447 4.263 -9.274
254 HD12 LEU 33 HD12 LEU 33 3.515 6.015 -9.468
255 HD13 LEU 33 HD13 LEU 33 2.725 5.316 -8.057
256 HD21 LEU 33 HD21 LEU 33 6.948 5.054 -8.441
257 HD22 LEU 33 HD22 LEU 33 6.010 5.853 -9.700
258 HD23 LEU 33 HD23 LEU 33 5.896 4.107 -9.492
259 HN1 NH2 34 HN1 NH2 34 4.372 8.380 -5.935
260 HN2 NH2 34 HN2 NH2 34 5.250 9.709 -5.267
Start of MODEL 16
1 H1 ASP 1 1HT ASP 1 -13.763 8.138 -0.115
2 H2 ASP 1 2HT ASP 1 -13.443 6.630 0.603
3 H3 ASP 1 3HT ASP 1 -13.116 6.867 -1.012
4 HA ASP 1 HA ASP 1 -11.383 8.376 -0.556
5 HB2 ASP 1 HB3 ASP 1 -12.144 7.936 2.328
6 HB3 ASP 1 HB2 ASP 1 -10.598 8.605 1.828
7 H CYS 2 H CYS 2 -9.268 7.701 -0.114
8 HA CYS 2 HA CYS 2 -9.147 4.805 -0.031
9 HB2 CYS 2 HB3 CYS 2 -6.828 5.256 -0.850
10 HB3 CYS 2 HB2 CYS 2 -8.155 5.468 -1.983
11 H LEU 3 H LEU 3 -6.960 4.027 0.816
12 HA LEU 3 HA LEU 3 -6.902 4.712 3.599
13 HB2 LEU 3 HB3 LEU 3 -5.149 2.807 2.125
14 HB3 LEU 3 HB2 LEU 3 -5.674 2.765 3.792
15 HG LEU 3 HG LEU 3 -7.462 2.365 1.446
16 HD11 LEU 3 HD11 LEU 3 -5.817 0.563 1.533
17 HD12 LEU 3 HD12 LEU 3 -7.359 -0.072 2.100
18 HD13 LEU 3 HD13 LEU 3 -6.093 0.336 3.260
19 HD21 LEU 3 HD21 LEU 3 -9.013 1.404 3.126
20 HD22 LEU 3 HD22 LEU 3 -8.648 3.102 3.431
21 HD23 LEU 3 HD23 LEU 3 -7.877 1.844 4.401
22 H GLY 4 H GLY 4 -5.002 5.414 4.661
23 HA2 GLY 4 2HA GLY 4 -2.968 6.668 3.072
24 HA3 GLY 4 1HA GLY 4 -3.088 6.632 4.842
25 H TRP 5 H TRP 5 -0.568 5.987 3.968
26 HA TRP 5 HA TRP 5 -0.642 3.279 3.424
27 HB2 TRP 5 HB3 TRP 5 1.443 3.518 2.717
28 HB3 TRP 5 HB2 TRP 5 0.864 5.121 2.478
29 HD1 TRP 5 HD TRP 5 3.568 3.198 4.013
30 HE1 TRP 5 1HE TRP 5 5.236 4.669 5.113
31 HE3 TRP 5 3HE TRP 5 0.780 7.490 4.126
32 HZ2 TRP 5 2HZ TRP 5 5.375 7.393 6.061
33 HZ3 TRP 5 3HZ TRP 5 1.756 9.474 5.181
34 HH2 TRP 5 HH TRP 5 4.006 9.426 6.130
35 H PHE 6 H PHE 6 1.087 2.025 4.673
36 HA PHE 6 HA PHE 6 1.531 0.796 6.416
37 HB2 PHE 6 HB3 PHE 6 0.695 3.168 8.067
38 HB3 PHE 6 HB2 PHE 6 1.042 1.600 8.787
39 HD1 PHE 6 1HD PHE 6 3.308 0.539 8.125
40 HD2 PHE 6 2HD PHE 6 2.412 4.670 7.805
41 HE1 PHE 6 1HE PHE 6 5.699 1.044 8.183
42 HE2 PHE 6 2HE PHE 6 4.824 5.192 7.850
43 HZ PHE 6 HZ PHE 6 6.466 3.375 8.046
44 H LYS 7 H LYS 7 -1.553 1.729 5.602
45 HA LYS 7 HA LYS 7 -2.864 -0.055 7.359
46 HB2 LYS 7 HB3 LYS 7 -3.795 1.271 4.824
47 HB3 LYS 7 HB2 LYS 7 -4.782 0.417 5.994
48 HG2 LYS 7 2HG LYS 7 -3.180 2.790 6.762
49 HG3 LYS 7 1HG LYS 7 -4.827 2.914 6.150
50 HD2 LYS 7 2HD LYS 7 -5.578 1.402 7.943
51 HD3 LYS 7 1HD LYS 7 -3.926 1.295 8.535
52 HE2 LYS 7 2HE LYS 7 -5.205 2.848 9.853
53 HE3 LYS 7 1HE LYS 7 -3.904 3.641 8.953
54 HZ1 LYS 7 1HZ LYS 7 -5.465 4.491 7.393
55 HZ2 LYS 7 2HZ LYS 7 -6.025 4.885 8.921
56 HZ3 LYS 7 3HZ LYS 7 -6.744 3.630 8.076
57 H SER 8 H SER 8 -3.777 -1.858 6.735
58 HA SER 8 HA SER 8 -2.223 -3.513 5.050
59 HB2 SER 8 HB3 SER 8 -4.685 -4.038 6.681
60 HB3 SER 8 HB2 SER 8 -3.632 -5.244 5.952
61 HG SER 8 HG SER 8 -3.274 -4.735 8.212
62 H CYS 9 H CYS 9 -2.712 -4.160 3.050
63 HA CYS 9 HA CYS 9 -5.313 -4.512 2.143
64 HB2 CYS 9 HB3 CYS 9 -4.780 -3.141 0.090
65 HB3 CYS 9 HB2 CYS 9 -5.364 -2.265 1.498
66 H ASP 10 H ASP 10 -5.010 -5.168 -0.237
67 HA ASP 10 HA ASP 10 -2.714 -6.985 -0.193
68 HB2 ASP 10 HB3 ASP 10 -4.977 -8.027 -0.280
69 HB3 ASP 10 HB2 ASP 10 -5.260 -7.201 -1.810
70 HA PRO 11 HA PRO 11 -0.868 -4.553 -3.409
71 HB2 PRO 11 HB3 PRO 11 0.494 -6.614 -4.664
72 HB3 PRO 11 HB2 PRO 11 1.086 -5.679 -3.286
73 HG2 PRO 11 2HG PRO 11 -0.227 -8.359 -3.329
74 HG3 PRO 11 1HG PRO 11 1.114 -7.757 -2.332
75 HD2 PRO 11 2HD PRO 11 -1.339 -8.006 -1.342
76 HD3 PRO 11 1HD PRO 11 -0.289 -6.647 -0.878
77 H LYS 12 H LYS 12 -2.690 -7.535 -4.255
78 HA LYS 12 HA LYS 12 -2.743 -6.770 -6.989
79 HB2 LYS 12 HB3 LYS 12 -3.702 -9.083 -5.367
80 HB3 LYS 12 HB2 LYS 12 -4.276 -8.838 -6.996
81 HG2 LYS 12 2HG LYS 12 -2.441 -10.464 -6.973
82 HG3 LYS 12 1HG LYS 12 -1.932 -9.010 -7.819
83 HD2 LYS 12 2HD LYS 12 -0.732 -8.262 -5.827
84 HD3 LYS 12 1HD LYS 12 -1.279 -9.678 -4.943
85 HE2 LYS 12 2HE LYS 12 0.458 -9.722 -7.409
86 HE3 LYS 12 1HE LYS 12 1.038 -9.886 -5.753
87 HZ1 LYS 12 1HZ LYS 12 -0.325 -11.924 -5.567
88 HZ2 LYS 12 2HZ LYS 12 0.824 -12.039 -6.765
89 HZ3 LYS 12 3HZ LYS 12 -0.770 -11.774 -7.181
90 H ASN 13 H ASN 13 -4.500 -6.173 -4.167
91 HA ASN 13 HA ASN 13 -6.681 -5.030 -5.754
92 HB2 ASN 13 HB3 ASN 13 -7.431 -7.145 -4.565
93 HB3 ASN 13 HB2 ASN 13 -7.034 -6.367 -3.044
94 HD21 ASN 13 HD21 ASN 13 -9.540 -7.406 -3.948
95 HD22 ASN 13 HD22 ASN 13 -10.679 -6.101 -3.910
96 H ASP 14 H ASP 14 -5.193 -3.250 -5.590
97 HA ASP 14 HA ASP 14 -4.300 -2.244 -3.108
98 HB2 ASP 14 HB3 ASP 14 -3.347 -1.856 -5.440
99 HB3 ASP 14 HB2 ASP 14 -4.609 -0.624 -5.600
100 H LYS 15 H LYS 15 -5.029 -0.543 -1.995
101 HA LYS 15 HA LYS 15 -7.699 0.412 -2.660
102 HB2 LYS 15 HB3 LYS 15 -7.677 -1.687 -1.189
103 HB3 LYS 15 HB2 LYS 15 -7.037 -0.659 0.068
104 HG2 LYS 15 2HG LYS 15 -9.429 -0.963 0.324
105 HG3 LYS 15 1HG LYS 15 -9.036 0.725 -0.013
106 HD2 LYS 15 2HD LYS 15 -10.987 0.009 -1.314
107 HD3 LYS 15 1HD LYS 15 -9.612 0.400 -2.349
108 HE2 LYS 15 2HE LYS 15 -9.097 -1.967 -2.612
109 HE3 LYS 15 1HE LYS 15 -10.414 -2.393 -1.520
110 HZ1 LYS 15 1HZ LYS 15 -11.960 -1.432 -3.136
111 HZ2 LYS 15 2HZ LYS 15 -11.034 -2.658 -3.834
112 HZ3 LYS 15 3HZ LYS 15 -10.674 -1.062 -4.156
113 H CYS 16 H CYS 16 -4.631 1.344 -1.975
114 HA CYS 16 HA CYS 16 -5.534 3.397 -0.141
115 HB2 CYS 16 HB3 CYS 16 -3.147 3.796 0.395
116 HB3 CYS 16 HB2 CYS 16 -3.698 2.180 0.792
117 H CYS 17 H CYS 17 -4.146 5.542 -0.443
118 HA CYS 17 HA CYS 17 -5.169 6.599 -2.763
119 HB2 CYS 17 HB3 CYS 17 -3.221 7.673 -0.757
120 HB3 CYS 17 HB2 CYS 17 -4.057 8.625 -1.972
121 H LYS 18 H LYS 18 -3.886 7.942 -4.189
122 HA LYS 18 HA LYS 18 -2.181 6.344 -5.719
123 HB2 LYS 18 HB3 LYS 18 -3.758 8.038 -6.637
124 HB3 LYS 18 HB2 LYS 18 -2.759 9.303 -5.959
125 HG2 LYS 18 2HG LYS 18 -2.419 9.026 -8.379
126 HG3 LYS 18 1HG LYS 18 -0.947 8.746 -7.456
127 HD2 LYS 18 2HD LYS 18 -1.230 7.106 -9.270
128 HD3 LYS 18 1HD LYS 18 -1.217 6.344 -7.689
129 HE2 LYS 18 2HE LYS 18 -3.706 6.263 -7.771
130 HE3 LYS 18 1HE LYS 18 -3.646 6.937 -9.395
131 HZ1 LYS 18 1HZ LYS 18 -3.869 4.514 -9.417
132 HZ2 LYS 18 2HZ LYS 18 -2.439 4.354 -8.558
133 HZ3 LYS 18 3HZ LYS 18 -2.411 4.976 -10.115
134 H ASN 19 H ASN 19 -0.144 6.689 -6.248
135 HA ASN 19 HA ASN 19 2.078 6.948 -6.020
136 HB2 ASN 19 HB3 ASN 19 1.432 9.212 -4.117
137 HB3 ASN 19 HB2 ASN 19 3.069 8.677 -4.454
138 HD21 ASN 19 HD21 ASN 19 3.679 10.627 -5.345
139 HD22 ASN 19 HD22 ASN 19 3.077 11.188 -6.863
140 H TYR 20 H TYR 20 0.127 6.463 -3.346
141 HA TYR 20 HA TYR 20 2.168 4.871 -2.052
142 HB2 TYR 20 HB3 TYR 20 -0.764 5.240 -1.393
143 HB3 TYR 20 HB2 TYR 20 0.466 4.474 -0.407
144 HD1 TYR 20 1HD TYR 20 2.201 5.853 0.704
145 HD2 TYR 20 2HD TYR 20 -1.054 7.595 -1.382
146 HE1 TYR 20 1HE TYR 20 2.599 7.972 1.868
147 HE2 TYR 20 2HE TYR 20 -0.672 9.714 -0.241
148 HH TYR 20 HH TYR 20 0.339 10.488 1.831
149 H THR 21 H THR 21 1.686 2.562 -1.807
150 HA THR 21 HA THR 21 -0.505 1.457 -3.226
151 HB THR 21 HB THR 21 1.023 1.898 -4.939
152 HG1 THR 21 1HG THR 21 -0.249 -0.172 -4.756
153 HG21 THR 21 1HG2 THR 21 3.198 0.710 -5.179
154 HG22 THR 21 2HG2 THR 21 2.972 0.075 -3.547
155 HG23 THR 21 3HG2 THR 21 3.125 1.816 -3.802
156 H CYS 22 H CYS 22 -0.766 -0.643 -2.830
157 HA CYS 22 HA CYS 22 0.084 -1.553 -0.273
158 HB2 CYS 22 HB3 CYS 22 -1.412 -2.936 -2.432
159 HB3 CYS 22 HB2 CYS 22 -1.338 -3.420 -0.750
160 H SER 23 H SER 23 1.745 -2.649 0.115
161 HA SER 23 HA SER 23 3.465 -3.671 -1.996
162 HB2 SER 23 HB3 SER 23 4.500 -2.200 -0.390
163 HB3 SER 23 HB2 SER 23 3.865 -3.135 0.952
164 HG SER 23 HG SER 23 6.107 -3.494 0.440
165 H ARG 24 H ARG 24 4.177 -5.805 -2.060
166 HA ARG 24 HA ARG 24 2.512 -7.737 -0.641
167 HB2 ARG 24 HB3 ARG 24 3.213 -7.726 -3.227
168 HB3 ARG 24 HB2 ARG 24 4.658 -8.495 -2.611
169 HG2 ARG 24 2HG ARG 24 1.824 -9.579 -2.424
170 HG3 ARG 24 1HG ARG 24 3.104 -10.148 -3.474
171 HD2 ARG 24 2HD ARG 24 4.380 -10.833 -1.490
172 HD3 ARG 24 1HD ARG 24 3.063 -10.277 -0.464
173 HE ARG 24 HE ARG 24 2.364 -12.207 -2.497
174 HH11 ARG 24 1HH1 ARG 24 3.251 -11.665 0.893
175 HH12 ARG 24 2HH1 ARG 24 2.708 -13.201 1.403
176 HH21 ARG 24 1HH2 ARG 24 1.580 -14.329 -1.732
177 HH22 ARG 24 2HH2 ARG 24 1.784 -14.713 -0.078
178 H ARG 25 H ARG 25 5.669 -6.483 -0.922
179 HA ARG 25 HA ARG 25 7.118 -8.459 0.528
180 HB2 ARG 25 HB3 ARG 25 7.901 -6.507 -1.074
181 HB3 ARG 25 HB2 ARG 25 7.910 -5.574 0.403
182 HG2 ARG 25 2HG ARG 25 9.477 -8.099 -0.012
183 HG3 ARG 25 1HG ARG 25 10.115 -6.483 -0.277
184 HD2 ARG 25 2HD ARG 25 9.843 -5.943 2.060
185 HD3 ARG 25 1HD ARG 25 9.028 -7.476 2.364
186 HE ARG 25 HE ARG 25 11.615 -7.861 1.272
187 HH11 ARG 25 1HH1 ARG 25 10.013 -7.006 4.321
188 HH12 ARG 25 2HH1 ARG 25 11.215 -7.694 5.304
189 HH21 ARG 25 1HH2 ARG 25 13.284 -8.787 2.655
190 HH22 ARG 25 2HH2 ARG 25 13.118 -8.689 4.346
191 H ASP 26 H ASP 26 5.637 -5.385 1.299
192 HA ASP 26 HA ASP 26 6.319 -5.659 4.128
193 HB2 ASP 26 HB3 ASP 26 4.918 -3.405 2.684
194 HB3 ASP 26 HB2 ASP 26 5.446 -3.385 4.358
195 H ARG 27 H ARG 27 3.651 -6.016 1.959
196 HA ARG 27 HA ARG 27 1.629 -6.735 2.095
197 HB2 ARG 27 HB3 ARG 27 2.204 -7.411 4.985
198 HB3 ARG 27 HB2 ARG 27 0.817 -7.930 4.007
199 HG2 ARG 27 2HG ARG 27 2.232 -9.206 2.564
200 HG3 ARG 27 1HG ARG 27 3.669 -8.606 3.386
201 HD2 ARG 27 2HD ARG 27 1.507 -10.270 4.664
202 HD3 ARG 27 1HD ARG 27 3.047 -10.885 4.066
203 HE ARG 27 HE ARG 27 3.507 -8.783 5.869
204 HH11 ARG 27 1HH1 ARG 27 2.561 -12.185 5.836
205 HH12 ARG 27 2HH1 ARG 27 3.036 -12.480 7.443
206 HH21 ARG 27 1HH2 ARG 27 4.163 -9.174 8.048
207 HH22 ARG 27 2HH2 ARG 27 3.982 -10.717 8.746
208 H TRP 28 H TRP 28 2.522 -3.966 3.201
209 HA TRP 28 HA TRP 28 -0.213 -3.182 3.658
210 HB2 TRP 28 HB3 TRP 28 0.437 -1.518 5.378
211 HB3 TRP 28 HB2 TRP 28 0.786 -3.146 5.916
212 HD1 TRP 28 HD TRP 28 2.700 -0.129 4.403
213 HE1 TRP 28 1HE TRP 28 5.069 -0.073 5.465
214 HE3 TRP 28 3HE TRP 28 2.452 -4.354 7.232
215 HZ2 TRP 28 2HZ TRP 28 6.590 -1.585 7.226
216 HZ3 TRP 28 3HZ TRP 28 4.414 -4.974 8.586
217 HH2 TRP 28 HH TRP 28 6.441 -3.608 8.571
218 H CYS 29 H CYS 29 -0.357 -0.722 3.313
219 HA CYS 29 HA CYS 29 0.859 -0.229 0.802
220 HB2 CYS 29 HB3 CYS 29 -1.449 0.369 1.144
221 HB3 CYS 29 HB2 CYS 29 -1.014 1.418 2.491
222 H LYS 30 H LYS 30 2.358 1.216 0.280
223 HA LYS 30 HA LYS 30 3.472 3.077 2.232
224 HB2 LYS 30 HB3 LYS 30 5.068 0.994 0.775
225 HB3 LYS 30 HB2 LYS 30 5.750 2.433 1.468
226 HG2 LYS 30 2HG LYS 30 5.352 1.687 3.654
227 HG3 LYS 30 1HG LYS 30 4.182 0.488 3.096
228 HD2 LYS 30 2HD LYS 30 6.330 -0.509 3.776
229 HD3 LYS 30 1HD LYS 30 5.891 -0.837 2.110
230 HE2 LYS 30 2HE LYS 30 7.449 0.904 1.360
231 HE3 LYS 30 1HE LYS 30 7.889 1.231 3.037
232 HZ1 LYS 30 1HZ LYS 30 8.793 -0.930 3.250
233 HZ2 LYS 30 2HZ LYS 30 9.444 -0.301 1.831
234 HZ3 LYS 30 3HZ LYS 30 8.170 -1.432 1.793
235 H TYR 31 H TYR 31 5.091 4.524 1.158
236 HA TYR 31 HA TYR 31 3.830 5.524 -1.208
237 HB2 TYR 31 HB3 TYR 31 4.741 6.974 0.661
238 HB3 TYR 31 HB2 TYR 31 6.355 6.531 0.123
239 HD1 TYR 31 1HD TYR 31 7.225 7.389 -2.026
240 HD2 TYR 31 2HD TYR 31 3.377 8.507 -0.605
241 HE1 TYR 31 1HE TYR 31 7.161 9.212 -3.646
242 HE2 TYR 31 2HE TYR 31 3.297 10.333 -2.216
243 HH TYR 31 HH TYR 31 4.883 11.720 -3.497
244 H ASP 32 H ASP 32 4.289 4.785 -3.126
245 HA ASP 32 HA ASP 32 6.953 4.424 -4.055
246 HB2 ASP 32 HB3 ASP 32 6.407 2.259 -2.967
247 HB3 ASP 32 HB2 ASP 32 5.038 2.097 -4.040
248 H LEU 33 H LEU 33 6.464 5.899 -5.517
249 HA LEU 33 HA LEU 33 4.012 5.783 -6.957
250 HB2 LEU 33 HB3 LEU 33 4.666 7.780 -8.163
251 HB3 LEU 33 HB2 LEU 33 4.933 7.987 -6.460
252 HG LEU 33 HG LEU 33 7.113 7.494 -8.505
253 HD11 LEU 33 HD11 LEU 33 6.060 9.630 -8.868
254 HD12 LEU 33 HD12 LEU 33 7.660 9.861 -8.157
255 HD13 LEU 33 HD13 LEU 33 6.217 10.029 -7.157
256 HD21 LEU 33 HD21 LEU 33 8.630 8.227 -6.705
257 HD22 LEU 33 HD22 LEU 33 7.791 6.737 -6.297
258 HD23 LEU 33 HD23 LEU 33 7.268 8.265 -5.585
259 HN1 NH2 34 HN1 NH2 34 7.330 5.646 -8.178
260 HN2 NH2 34 HN2 NH2 34 6.959 4.551 -9.460
Start of MODEL 17
1 H1 ASP 1 1HT ASP 1 -13.387 8.941 -0.667
2 H2 ASP 1 2HT ASP 1 -13.085 7.929 0.668
3 H3 ASP 1 3HT ASP 1 -13.249 7.262 -0.860
4 HA ASP 1 HA ASP 1 -11.289 8.245 -1.618
5 HB2 ASP 1 HB3 ASP 1 -11.246 9.500 1.111
6 HB3 ASP 1 HB2 ASP 1 -9.745 9.201 0.244
7 H CYS 2 H CYS 2 -9.041 7.629 -0.707
8 HA CYS 2 HA CYS 2 -9.269 4.811 -0.056
9 HB2 CYS 2 HB3 CYS 2 -6.960 4.774 -0.588
10 HB3 CYS 2 HB2 CYS 2 -7.844 5.566 -1.897
11 H LEU 3 H LEU 3 -7.014 4.299 1.121
12 HA LEU 3 HA LEU 3 -7.350 5.227 3.828
13 HB2 LEU 3 HB3 LEU 3 -5.516 3.268 2.571
14 HB3 LEU 3 HB2 LEU 3 -5.842 3.437 4.288
15 HG LEU 3 HG LEU 3 -7.708 2.495 2.153
16 HD11 LEU 3 HD11 LEU 3 -6.402 1.061 4.496
17 HD12 LEU 3 HD12 LEU 3 -5.989 0.854 2.794
18 HD13 LEU 3 HD13 LEU 3 -7.564 0.329 3.391
19 HD21 LEU 3 HD21 LEU 3 -9.277 1.975 4.000
20 HD22 LEU 3 HD22 LEU 3 -8.964 3.700 3.839
21 HD23 LEU 3 HD23 LEU 3 -8.186 2.779 5.125
22 H GLY 4 H GLY 4 -5.705 6.297 4.918
23 HA2 GLY 4 2HA GLY 4 -3.511 7.381 3.438
24 HA3 GLY 4 1HA GLY 4 -3.787 7.506 5.193
25 H TRP 5 H TRP 5 -1.412 6.451 3.516
26 HA TRP 5 HA TRP 5 -1.461 3.757 3.540
27 HB2 TRP 5 HB3 TRP 5 0.679 3.905 2.767
28 HB3 TRP 5 HB2 TRP 5 -0.079 5.369 2.220
29 HD1 TRP 5 HD TRP 5 2.816 4.128 4.237
30 HE1 TRP 5 1HE TRP 5 4.238 6.088 5.022
31 HE3 TRP 5 3HE TRP 5 -0.378 7.930 3.079
32 HZ2 TRP 5 2HZ TRP 5 4.027 8.911 5.177
33 HZ3 TRP 5 3HZ TRP 5 0.309 10.238 3.592
34 HH2 TRP 5 HH TRP 5 2.469 10.707 4.622
35 H PHE 6 H PHE 6 0.466 2.651 4.501
36 HA PHE 6 HA PHE 6 1.517 1.604 6.204
37 HB2 PHE 6 HB3 PHE 6 1.823 3.916 7.253
38 HB3 PHE 6 HB2 PHE 6 0.369 3.613 8.175
39 HD1 PHE 6 1HD PHE 6 0.452 2.356 10.195
40 HD2 PHE 6 2HD PHE 6 3.827 2.458 7.611
41 HE1 PHE 6 1HE PHE 6 1.821 1.309 11.946
42 HE2 PHE 6 2HE PHE 6 5.196 1.406 9.348
43 HZ PHE 6 HZ PHE 6 4.205 0.831 11.519
44 H LYS 7 H LYS 7 -1.526 1.767 5.476
45 HA LYS 7 HA LYS 7 -2.633 0.117 7.551
46 HB2 LYS 7 HB3 LYS 7 -3.751 1.129 4.953
47 HB3 LYS 7 HB2 LYS 7 -4.642 0.292 6.202
48 HG2 LYS 7 2HG LYS 7 -3.207 2.831 6.794
49 HG3 LYS 7 1HG LYS 7 -4.798 2.864 6.064
50 HD2 LYS 7 2HD LYS 7 -4.146 1.422 8.635
51 HD3 LYS 7 1HD LYS 7 -4.727 3.086 8.586
52 HE2 LYS 7 2HE LYS 7 -6.750 2.272 7.364
53 HE3 LYS 7 1HE LYS 7 -6.175 0.625 7.589
54 HZ1 LYS 7 1HZ LYS 7 -6.327 0.968 10.005
55 HZ2 LYS 7 2HZ LYS 7 -7.801 1.198 9.251
56 HZ3 LYS 7 3HZ LYS 7 -6.911 2.528 9.756
57 H SER 8 H SER 8 -3.470 -1.832 7.014
58 HA SER 8 HA SER 8 -1.904 -3.525 5.368
59 HB2 SER 8 HB3 SER 8 -4.514 -4.094 6.759
60 HB3 SER 8 HB2 SER 8 -3.207 -5.212 6.361
61 HG SER 8 HG SER 8 -1.948 -3.575 7.742
62 H CYS 9 H CYS 9 -2.355 -3.970 3.247
63 HA CYS 9 HA CYS 9 -4.978 -3.319 2.275
64 HB2 CYS 9 HB3 CYS 9 -3.801 -2.665 0.174
65 HB3 CYS 9 HB2 CYS 9 -3.603 -1.571 1.526
66 H ASP 10 H ASP 10 -5.034 -4.221 -0.055
67 HA ASP 10 HA ASP 10 -4.063 -7.000 0.011
68 HB2 ASP 10 HB3 ASP 10 -6.571 -6.736 -0.148
69 HB3 ASP 10 HB2 ASP 10 -6.339 -5.852 -1.649
70 HA PRO 11 HA PRO 11 -1.282 -5.296 -2.938
71 HB2 PRO 11 HB3 PRO 11 -0.277 -7.648 -3.919
72 HB3 PRO 11 HB2 PRO 11 0.248 -6.923 -2.392
73 HG2 PRO 11 2HG PRO 11 -1.743 -9.101 -2.885
74 HG3 PRO 11 1HG PRO 11 -0.495 -8.990 -1.631
75 HD2 PRO 11 2HD PRO 11 -3.065 -8.463 -1.113
76 HD3 PRO 11 1HD PRO 11 -1.758 -7.542 -0.334
77 H LYS 12 H LYS 12 -3.817 -7.496 -3.931
78 HA LYS 12 HA LYS 12 -3.378 -6.626 -6.662
79 HB2 LYS 12 HB3 LYS 12 -3.512 -9.092 -5.840
80 HB3 LYS 12 HB2 LYS 12 -5.237 -8.808 -5.850
81 HG2 LYS 12 2HG LYS 12 -4.626 -9.812 -7.938
82 HG3 LYS 12 1HG LYS 12 -5.086 -8.127 -8.221
83 HD2 LYS 12 2HD LYS 12 -2.748 -7.477 -8.153
84 HD3 LYS 12 1HD LYS 12 -2.295 -9.144 -7.885
85 HE2 LYS 12 2HE LYS 12 -3.729 -8.099 -10.344
86 HE3 LYS 12 1HE LYS 12 -2.010 -8.469 -10.267
87 HZ1 LYS 12 1HZ LYS 12 -4.226 -10.428 -9.924
88 HZ2 LYS 12 2HZ LYS 12 -2.605 -10.777 -9.775
89 HZ3 LYS 12 3HZ LYS 12 -3.216 -10.294 -11.264
90 H ASN 13 H ASN 13 -5.193 -6.043 -3.981
91 HA ASN 13 HA ASN 13 -7.103 -4.493 -5.530
92 HB2 ASN 13 HB3 ASN 13 -8.136 -6.751 -5.178
93 HB3 ASN 13 HB2 ASN 13 -8.113 -6.443 -3.452
94 HD21 ASN 13 HD21 ASN 13 -9.516 -5.510 -6.479
95 HD22 ASN 13 HD22 ASN 13 -10.879 -4.681 -5.840
96 H ASP 14 H ASP 14 -5.730 -2.958 -4.634
97 HA ASP 14 HA ASP 14 -5.420 -2.693 -1.803
98 HB2 ASP 14 HB3 ASP 14 -3.584 -2.300 -3.344
99 HB3 ASP 14 HB2 ASP 14 -4.470 -0.972 -4.081
100 H LYS 15 H LYS 15 -6.009 -0.999 -0.578
101 HA LYS 15 HA LYS 15 -8.401 0.461 -1.437
102 HB2 LYS 15 HB3 LYS 15 -7.492 -0.334 1.330
103 HB3 LYS 15 HB2 LYS 15 -8.872 0.688 1.000
104 HG2 LYS 15 2HG LYS 15 -9.799 -1.410 1.427
105 HG3 LYS 15 1HG LYS 15 -9.769 -1.322 -0.331
106 HD2 LYS 15 2HD LYS 15 -7.629 -2.597 -0.295
107 HD3 LYS 15 1HD LYS 15 -7.820 -2.784 1.450
108 HE2 LYS 15 2HE LYS 15 -8.636 -4.762 0.329
109 HE3 LYS 15 1HE LYS 15 -9.989 -3.892 1.056
110 HZ1 LYS 15 1HZ LYS 15 -10.536 -4.593 -1.177
111 HZ2 LYS 15 2HZ LYS 15 -9.199 -3.827 -1.804
112 HZ3 LYS 15 3HZ LYS 15 -10.450 -2.919 -1.153
113 H CYS 16 H CYS 16 -5.121 0.728 -0.679
114 HA CYS 16 HA CYS 16 -5.271 3.437 0.244
115 HB2 CYS 16 HB3 CYS 16 -2.905 1.669 -0.506
116 HB3 CYS 16 HB2 CYS 16 -2.797 3.240 0.287
117 H CYS 17 H CYS 17 -4.459 5.192 -1.060
118 HA CYS 17 HA CYS 17 -5.346 5.125 -3.645
119 HB2 CYS 17 HB3 CYS 17 -3.771 7.072 -2.066
120 HB3 CYS 17 HB2 CYS 17 -3.967 7.310 -3.787
121 H LYS 18 H LYS 18 -4.099 6.050 -5.403
122 HA LYS 18 HA LYS 18 -2.046 4.373 -6.321
123 HB2 LYS 18 HB3 LYS 18 -3.763 5.276 -7.804
124 HB3 LYS 18 HB2 LYS 18 -3.366 6.906 -7.335
125 HG2 LYS 18 2HG LYS 18 -1.328 5.230 -8.758
126 HG3 LYS 18 1HG LYS 18 -2.650 5.950 -9.669
127 HD2 LYS 18 2HD LYS 18 -0.685 7.468 -7.937
128 HD3 LYS 18 1HD LYS 18 -0.583 7.330 -9.690
129 HE2 LYS 18 2HE LYS 18 -2.837 8.643 -8.134
130 HE3 LYS 18 1HE LYS 18 -1.568 9.463 -9.027
131 HZ1 LYS 18 1HZ LYS 18 -3.596 7.663 -10.255
132 HZ2 LYS 18 2HZ LYS 18 -2.395 8.516 -11.069
133 HZ3 LYS 18 3HZ LYS 18 -3.626 9.340 -10.288
134 H ASN 19 H ASN 19 -0.035 5.245 -6.991
135 HA ASN 19 HA ASN 19 1.966 6.312 -6.757
136 HB2 ASN 19 HB3 ASN 19 0.955 8.544 -6.688
137 HB3 ASN 19 HB2 ASN 19 0.460 8.305 -5.022
138 HD21 ASN 19 HD21 ASN 19 1.849 8.849 -3.426
139 HD22 ASN 19 HD22 ASN 19 3.431 9.485 -3.689
140 H TYR 20 H TYR 20 0.089 5.614 -4.043
141 HA TYR 20 HA TYR 20 2.370 4.661 -2.543
142 HB2 TYR 20 HB3 TYR 20 -0.601 4.551 -1.978
143 HB3 TYR 20 HB2 TYR 20 0.682 4.097 -0.878
144 HD1 TYR 20 1HD TYR 20 -1.237 6.862 -2.237
145 HD2 TYR 20 2HD TYR 20 2.181 5.830 0.073
146 HE1 TYR 20 1HE TYR 20 -1.143 9.150 -1.360
147 HE2 TYR 20 2HE TYR 20 2.285 8.109 0.951
148 HH TYR 20 HH TYR 20 1.552 10.314 0.405
149 H THR 21 H THR 21 2.335 2.353 -1.965
150 HA THR 21 HA THR 21 0.659 0.641 -3.571
151 HB THR 21 HB THR 21 3.665 0.437 -3.803
152 HG1 THR 21 1HG THR 21 1.859 1.982 -5.117
153 HG21 THR 21 1HG2 THR 21 1.471 -0.935 -5.381
154 HG22 THR 21 2HG2 THR 21 2.472 -1.686 -4.142
155 HG23 THR 21 3HG2 THR 21 3.203 -1.135 -5.648
156 H CYS 22 H CYS 22 0.711 -1.521 -2.785
157 HA CYS 22 HA CYS 22 1.347 -1.872 -0.067
158 HB2 CYS 22 HB3 CYS 22 0.579 -3.828 -2.205
159 HB3 CYS 22 HB2 CYS 22 0.638 -4.156 -0.488
160 H SER 23 H SER 23 3.039 -2.688 0.745
161 HA SER 23 HA SER 23 5.324 -3.376 -0.892
162 HB2 SER 23 HB3 SER 23 5.651 -1.902 1.010
163 HB3 SER 23 HB2 SER 23 4.863 -3.041 2.092
164 HG SER 23 HG SER 23 7.201 -3.016 2.179
165 H ARG 24 H ARG 24 5.828 -5.568 -1.301
166 HA ARG 24 HA ARG 24 4.163 -7.548 -0.114
167 HB2 ARG 24 HB3 ARG 24 6.343 -7.502 -2.121
168 HB3 ARG 24 HB2 ARG 24 6.002 -9.013 -1.317
169 HG2 ARG 24 2HG ARG 24 4.018 -7.376 -2.894
170 HG3 ARG 24 1HG ARG 24 4.847 -8.820 -3.478
171 HD2 ARG 24 2HD ARG 24 3.820 -10.042 -1.496
172 HD3 ARG 24 1HD ARG 24 2.819 -8.619 -1.252
173 HE ARG 24 HE ARG 24 2.574 -9.340 -3.902
174 HH11 ARG 24 1HH1 ARG 24 1.601 -10.589 -0.711
175 HH12 ARG 24 2HH1 ARG 24 0.389 -11.594 -1.330
176 HH21 ARG 24 1HH2 ARG 24 0.898 -10.743 -4.737
177 HH22 ARG 24 2HH2 ARG 24 -0.016 -11.703 -3.661
178 H ARG 25 H ARG 25 7.148 -6.094 0.448
179 HA ARG 25 HA ARG 25 8.395 -8.070 2.037
180 HB2 ARG 25 HB3 ARG 25 9.525 -6.216 0.863
181 HB3 ARG 25 HB2 ARG 25 8.753 -5.085 1.961
182 HG2 ARG 25 2HG ARG 25 9.885 -6.224 3.820
183 HG3 ARG 25 1HG ARG 25 10.767 -7.187 2.625
184 HD2 ARG 25 2HD ARG 25 10.794 -4.191 2.911
185 HD3 ARG 25 1HD ARG 25 12.125 -5.282 3.285
186 HE ARG 25 HE ARG 25 11.726 -5.840 0.731
187 HH11 ARG 25 1HH1 ARG 25 11.894 -2.647 2.293
188 HH12 ARG 25 2HH1 ARG 25 12.546 -1.874 0.925
189 HH21 ARG 25 1HH2 ARG 25 12.552 -4.763 -1.119
190 HH22 ARG 25 2HH2 ARG 25 12.918 -3.092 -1.073
191 H ASP 26 H ASP 26 6.747 -5.016 2.777
192 HA ASP 26 HA ASP 26 6.732 -5.591 5.629
193 HB2 ASP 26 HB3 ASP 26 5.509 -3.242 4.159
194 HB3 ASP 26 HB2 ASP 26 5.742 -3.373 5.894
195 H ARG 27 H ARG 27 4.522 -5.516 2.947
196 HA ARG 27 HA ARG 27 2.612 -6.276 2.526
197 HB2 ARG 27 HB3 ARG 27 2.637 -7.568 5.249
198 HB3 ARG 27 HB2 ARG 27 1.396 -7.773 4.000
199 HG2 ARG 27 2HG ARG 27 3.003 -8.670 2.450
200 HG3 ARG 27 1HG ARG 27 4.306 -8.403 3.600
201 HD2 ARG 27 2HD ARG 27 3.352 -10.036 5.104
202 HD3 ARG 27 1HD ARG 27 1.966 -10.248 4.036
203 HE ARG 27 HE ARG 27 4.378 -10.717 2.656
204 HH11 ARG 27 1HH1 ARG 27 2.212 -12.246 5.007
205 HH12 ARG 27 2HH1 ARG 27 2.652 -13.835 4.568
206 HH21 ARG 27 1HH2 ARG 27 4.920 -12.906 2.029
207 HH22 ARG 27 2HH2 ARG 27 4.193 -14.224 2.819
208 H TRP 28 H TRP 28 3.019 -3.707 3.792
209 HA TRP 28 HA TRP 28 0.184 -3.125 3.814
210 HB2 TRP 28 HB3 TRP 28 0.527 -1.270 5.485
211 HB3 TRP 28 HB2 TRP 28 0.713 -2.877 6.151
212 HD1 TRP 28 HD TRP 28 2.897 0.143 5.068
213 HE1 TRP 28 1HE TRP 28 5.042 0.115 6.563
214 HE3 TRP 28 3HE TRP 28 2.138 -4.238 7.564
215 HZ2 TRP 28 2HZ TRP 28 6.203 -1.518 8.489
216 HZ3 TRP 28 3HZ TRP 28 3.806 -4.960 9.223
217 HH2 TRP 28 HH TRP 28 5.796 -3.618 9.668
218 H CYS 29 H CYS 29 -0.256 -0.682 3.222
219 HA CYS 29 HA CYS 29 1.256 -0.239 0.893
220 HB2 CYS 29 HB3 CYS 29 -0.423 1.477 0.521
221 HB3 CYS 29 HB2 CYS 29 -1.169 -0.083 0.848
222 H LYS 30 H LYS 30 2.753 1.319 0.564
223 HA LYS 30 HA LYS 30 3.014 3.537 2.451
224 HB2 LYS 30 HB3 LYS 30 5.374 2.030 1.372
225 HB3 LYS 30 HB2 LYS 30 5.339 3.295 2.558
226 HG2 LYS 30 2HG LYS 30 4.385 1.803 4.214
227 HG3 LYS 30 1HG LYS 30 4.286 0.510 3.015
228 HD2 LYS 30 2HD LYS 30 6.804 1.796 4.095
229 HD3 LYS 30 1HD LYS 30 6.244 0.153 4.404
230 HE2 LYS 30 2HE LYS 30 6.460 -0.316 1.957
231 HE3 LYS 30 1HE LYS 30 7.148 1.290 1.750
232 HZ1 LYS 30 1HZ LYS 30 8.278 -0.939 3.317
233 HZ2 LYS 30 2HZ LYS 30 8.930 0.629 3.280
234 HZ3 LYS 30 3HZ LYS 30 8.881 -0.297 1.878
235 H TYR 31 H TYR 31 4.725 5.082 1.358
236 HA TYR 31 HA TYR 31 4.059 5.356 -1.408
237 HB2 TYR 31 HB3 TYR 31 4.547 7.413 -0.203
238 HB3 TYR 31 HB2 TYR 31 6.105 6.788 0.327
239 HD1 TYR 31 1HD TYR 31 8.022 7.379 -0.860
240 HD2 TYR 31 2HD TYR 31 4.256 7.601 -2.828
241 HE1 TYR 31 1HE TYR 31 9.118 8.326 -2.829
242 HE2 TYR 31 2HE TYR 31 5.341 8.558 -4.801
243 HH TYR 31 HH TYR 31 7.412 9.775 -5.387
244 H ASP 32 H ASP 32 4.855 4.069 -2.888
245 HA ASP 32 HA ASP 32 7.631 3.354 -2.768
246 HB2 ASP 32 HB3 ASP 32 6.429 1.439 -1.816
247 HB3 ASP 32 HB2 ASP 32 5.397 1.371 -3.234
248 H LEU 33 H LEU 33 7.937 4.773 -4.278
249 HA LEU 33 HA LEU 33 7.250 3.969 -6.980
250 HB2 LEU 33 HB3 LEU 33 5.571 5.675 -6.452
251 HB3 LEU 33 HB2 LEU 33 6.826 6.782 -5.952
252 HG LEU 33 HG LEU 33 7.662 6.883 -8.269
253 HD11 LEU 33 HD11 LEU 33 6.334 5.954 -10.088
254 HD12 LEU 33 HD12 LEU 33 5.271 5.175 -8.917
255 HD13 LEU 33 HD13 LEU 33 6.964 4.686 -9.037
256 HD21 LEU 33 HD21 LEU 33 6.046 8.516 -7.472
257 HD22 LEU 33 HD22 LEU 33 4.727 7.467 -7.989
258 HD23 LEU 33 HD23 LEU 33 5.812 8.173 -9.187
259 HN1 NH2 34 HN1 NH2 34 8.731 6.910 -5.708
260 HN2 NH2 34 HN2 NH2 34 10.318 6.586 -6.301
Start of MODEL 18
1 H1 ASP 1 1HT ASP 1 -13.222 6.486 -0.352
2 H2 ASP 1 2HT ASP 1 -12.707 7.645 -1.441
3 H3 ASP 1 3HT ASP 1 -13.643 8.109 -0.109
4 HA ASP 1 HA ASP 1 -11.323 8.678 0.196
5 HB2 ASP 1 HB3 ASP 1 -12.178 6.338 1.938
6 HB3 ASP 1 HB2 ASP 1 -10.935 7.508 2.341
7 H CYS 2 H CYS 2 -9.243 7.378 1.074
8 HA CYS 2 HA CYS 2 -8.890 4.949 -0.465
9 HB2 CYS 2 HB3 CYS 2 -6.642 5.666 -1.044
10 HB3 CYS 2 HB2 CYS 2 -7.900 6.523 -1.926
11 H LEU 3 H LEU 3 -6.418 4.313 0.179
12 HA LEU 3 HA LEU 3 -6.815 3.957 3.020
13 HB2 LEU 3 HB3 LEU 3 -4.903 2.492 1.325
14 HB3 LEU 3 HB2 LEU 3 -5.669 2.035 2.805
15 HG LEU 3 HG LEU 3 -7.160 2.253 0.220
16 HD11 LEU 3 HD11 LEU 3 -7.193 -0.242 0.258
17 HD12 LEU 3 HD12 LEU 3 -6.193 -0.221 1.706
18 HD13 LEU 3 HD13 LEU 3 -5.537 0.364 0.181
19 HD21 LEU 3 HD21 LEU 3 -8.935 1.025 1.442
20 HD22 LEU 3 HD22 LEU 3 -8.576 2.597 2.154
21 HD23 LEU 3 HD23 LEU 3 -7.964 1.125 2.911
22 H GLY 4 H GLY 4 -5.578 5.163 4.178
23 HA2 GLY 4 2HA GLY 4 -3.251 6.480 3.256
24 HA3 GLY 4 1HA GLY 4 -3.791 6.366 4.942
25 H TRP 5 H TRP 5 -1.111 5.871 3.724
26 HA TRP 5 HA TRP 5 -0.916 3.146 3.645
27 HB2 TRP 5 HB3 TRP 5 1.132 3.489 2.841
28 HB3 TRP 5 HB2 TRP 5 0.378 4.988 2.441
29 HD1 TRP 5 HD TRP 5 3.262 3.550 4.259
30 HE1 TRP 5 1HE TRP 5 4.769 5.358 5.126
31 HE3 TRP 5 3HE TRP 5 0.100 7.511 3.600
32 HZ2 TRP 5 2HZ TRP 5 4.626 8.203 5.568
33 HZ3 TRP 5 3HZ TRP 5 0.859 9.735 4.296
34 HH2 TRP 5 HH TRP 5 3.076 10.074 5.259
35 H PHE 6 H PHE 6 0.989 2.230 4.820
36 HA PHE 6 HA PHE 6 1.864 1.282 6.618
37 HB2 PHE 6 HB3 PHE 6 2.030 3.603 7.657
38 HB3 PHE 6 HB2 PHE 6 0.495 3.279 8.447
39 HD1 PHE 6 1HD PHE 6 3.901 1.862 8.049
40 HD2 PHE 6 2HD PHE 6 0.508 2.317 10.572
41 HE1 PHE 6 1HE PHE 6 5.128 0.786 9.882
42 HE2 PHE 6 2HE PHE 6 1.735 1.239 12.408
43 HZ PHE 6 HZ PHE 6 4.060 0.468 12.049
44 H LYS 7 H LYS 7 -1.442 1.730 6.093
45 HA LYS 7 HA LYS 7 -2.393 -0.272 7.852
46 HB2 LYS 7 HB3 LYS 7 -3.523 0.788 5.267
47 HB3 LYS 7 HB2 LYS 7 -4.386 -0.131 6.475
48 HG2 LYS 7 2HG LYS 7 -3.213 2.581 6.985
49 HG3 LYS 7 1HG LYS 7 -4.873 2.317 6.472
50 HD2 LYS 7 2HD LYS 7 -5.233 0.948 8.503
51 HD3 LYS 7 1HD LYS 7 -3.574 1.291 9.000
52 HE2 LYS 7 2HE LYS 7 -4.074 3.673 9.063
53 HE3 LYS 7 1HE LYS 7 -5.719 3.352 8.527
54 HZ1 LYS 7 1HZ LYS 7 -6.116 2.127 10.541
55 HZ2 LYS 7 2HZ LYS 7 -5.574 3.669 10.937
56 HZ3 LYS 7 3HZ LYS 7 -4.533 2.348 11.054
57 H SER 8 H SER 8 -2.912 -2.249 7.155
58 HA SER 8 HA SER 8 -0.980 -3.422 5.385
59 HB2 SER 8 HB3 SER 8 -1.671 -4.587 7.473
60 HB3 SER 8 HB2 SER 8 -3.279 -4.812 6.781
61 HG SER 8 HG SER 8 -0.929 -5.770 5.486
62 H CYS 9 H CYS 9 -1.336 -4.478 3.471
63 HA CYS 9 HA CYS 9 -3.795 -3.755 2.163
64 HB2 CYS 9 HB3 CYS 9 -2.317 -3.618 0.123
65 HB3 CYS 9 HB2 CYS 9 -2.139 -2.324 1.294
66 H ASP 10 H ASP 10 -3.660 -5.033 -0.021
67 HA ASP 10 HA ASP 10 -2.823 -7.802 0.449
68 HB2 ASP 10 HB3 ASP 10 -5.312 -7.543 0.736
69 HB3 ASP 10 HB2 ASP 10 -5.385 -6.916 -0.908
70 HA PRO 11 HA PRO 11 -0.735 -6.470 -3.185
71 HB2 PRO 11 HB3 PRO 11 0.309 -8.870 -3.984
72 HB3 PRO 11 HB2 PRO 11 0.977 -7.881 -2.677
73 HG2 PRO 11 2HG PRO 11 -0.808 -10.276 -2.512
74 HG3 PRO 11 1HG PRO 11 0.583 -9.845 -1.502
75 HD2 PRO 11 2HD PRO 11 -1.977 -9.463 -0.711
76 HD3 PRO 11 1HD PRO 11 -0.652 -8.393 -0.209
77 H LYS 12 H LYS 12 -3.150 -9.056 -3.358
78 HA LYS 12 HA LYS 12 -3.145 -8.968 -6.177
79 HB2 LYS 12 HB3 LYS 12 -3.631 -11.010 -4.775
80 HB3 LYS 12 HB2 LYS 12 -5.144 -10.249 -4.329
81 HG2 LYS 12 2HG LYS 12 -5.475 -11.848 -6.129
82 HG3 LYS 12 1HG LYS 12 -5.828 -10.201 -6.675
83 HD2 LYS 12 2HD LYS 12 -3.585 -10.040 -7.577
84 HD3 LYS 12 1HD LYS 12 -3.261 -11.689 -7.073
85 HE2 LYS 12 2HE LYS 12 -5.083 -12.475 -8.566
86 HE3 LYS 12 1HE LYS 12 -5.372 -10.809 -9.058
87 HZ1 LYS 12 1HZ LYS 12 -2.852 -12.313 -9.508
88 HZ2 LYS 12 2HZ LYS 12 -3.154 -10.730 -10.012
89 HZ3 LYS 12 3HZ LYS 12 -4.030 -12.004 -10.670
90 H ASN 13 H ASN 13 -4.706 -7.459 -3.545
91 HA ASN 13 HA ASN 13 -6.432 -5.996 -5.397
92 HB2 ASN 13 HB3 ASN 13 -7.740 -7.925 -4.493
93 HB3 ASN 13 HB2 ASN 13 -7.496 -7.288 -2.879
94 HD21 ASN 13 HD21 ASN 13 -9.910 -7.816 -4.336
95 HD22 ASN 13 HD22 ASN 13 -10.825 -6.364 -4.397
96 H ASP 14 H ASP 14 -4.852 -4.404 -4.950
97 HA ASP 14 HA ASP 14 -5.116 -3.213 -2.296
98 HB2 ASP 14 HB3 ASP 14 -2.863 -3.920 -2.964
99 HB3 ASP 14 HB2 ASP 14 -2.953 -2.866 -4.360
100 H LYS 15 H LYS 15 -5.137 -0.879 -2.231
101 HA LYS 15 HA LYS 15 -6.186 0.363 -4.657
102 HB2 LYS 15 HB3 LYS 15 -8.046 -0.169 -3.190
103 HB3 LYS 15 HB2 LYS 15 -7.251 0.653 -1.859
104 HG2 LYS 15 2HG LYS 15 -7.435 2.772 -3.075
105 HG3 LYS 15 1HG LYS 15 -8.267 1.928 -4.386
106 HD2 LYS 15 2HD LYS 15 -9.966 1.199 -2.810
107 HD3 LYS 15 1HD LYS 15 -9.136 2.090 -1.539
108 HE2 LYS 15 2HE LYS 15 -9.541 4.200 -2.659
109 HE3 LYS 15 1HE LYS 15 -10.213 3.379 -4.062
110 HZ1 LYS 15 1HZ LYS 15 -11.416 3.390 -1.339
111 HZ2 LYS 15 2HZ LYS 15 -12.071 2.657 -2.712
112 HZ3 LYS 15 3HZ LYS 15 -11.909 4.330 -2.640
113 H CYS 16 H CYS 16 -5.234 1.167 -1.369
114 HA CYS 16 HA CYS 16 -4.384 3.048 -0.445
115 HB2 CYS 16 HB3 CYS 16 -2.618 2.406 -2.715
116 HB3 CYS 16 HB2 CYS 16 -2.116 3.596 -1.475
117 H CYS 17 H CYS 17 -3.327 5.308 -1.102
118 HA CYS 17 HA CYS 17 -5.126 6.642 -2.897
119 HB2 CYS 17 HB3 CYS 17 -2.769 7.656 -1.283
120 HB3 CYS 17 HB2 CYS 17 -4.064 8.609 -1.996
121 H LYS 18 H LYS 18 -3.637 8.353 -4.295
122 HA LYS 18 HA LYS 18 -2.097 6.701 -5.984
123 HB2 LYS 18 HB3 LYS 18 -3.457 8.488 -6.953
124 HB3 LYS 18 HB2 LYS 18 -2.587 9.685 -6.011
125 HG2 LYS 18 2HG LYS 18 -1.958 9.704 -8.402
126 HG3 LYS 18 1HG LYS 18 -0.598 9.369 -7.342
127 HD2 LYS 18 2HD LYS 18 -0.538 7.962 -9.342
128 HD3 LYS 18 1HD LYS 18 -0.740 6.981 -7.903
129 HE2 LYS 18 2HE LYS 18 -3.161 6.829 -8.392
130 HE3 LYS 18 1HE LYS 18 -2.898 7.776 -9.858
131 HZ1 LYS 18 1HZ LYS 18 -2.941 5.372 -10.327
132 HZ2 LYS 18 2HZ LYS 18 -1.641 5.143 -9.282
133 HZ3 LYS 18 3HZ LYS 18 -1.431 6.026 -10.672
134 H ASN 19 H ASN 19 -0.021 6.876 -6.363
135 HA ASN 19 HA ASN 19 2.197 7.144 -6.116
136 HB2 ASN 19 HB3 ASN 19 1.520 9.257 -4.065
137 HB3 ASN 19 HB2 ASN 19 3.172 8.754 -4.413
138 HD21 ASN 19 HD21 ASN 19 4.136 9.414 -6.291
139 HD22 ASN 19 HD22 ASN 19 3.423 10.585 -7.343
140 H TYR 20 H TYR 20 0.230 6.540 -3.470
141 HA TYR 20 HA TYR 20 2.264 4.912 -2.213
142 HB2 TYR 20 HB3 TYR 20 -0.597 5.439 -1.431
143 HB3 TYR 20 HB2 TYR 20 0.607 4.592 -0.492
144 HD1 TYR 20 1HD TYR 20 2.537 5.786 0.482
145 HD2 TYR 20 2HD TYR 20 -0.608 7.905 -1.437
146 HE1 TYR 20 1HE TYR 20 3.319 7.866 1.507
147 HE2 TYR 20 2HE TYR 20 0.159 9.987 -0.419
148 HH TYR 20 HH TYR 20 1.517 10.643 1.660
149 H THR 21 H THR 21 1.864 2.698 -1.893
150 HA THR 21 HA THR 21 -0.255 1.296 -3.210
151 HB THR 21 HB THR 21 2.553 0.940 -4.327
152 HG1 THR 21 1HG THR 21 0.663 2.691 -4.982
153 HG21 THR 21 1HG2 THR 21 -0.065 -0.279 -5.238
154 HG22 THR 21 2HG2 THR 21 1.232 -1.122 -4.394
155 HG23 THR 21 3HG2 THR 21 1.497 -0.507 -6.025
156 H CYS 22 H CYS 22 -0.162 -0.923 -2.689
157 HA CYS 22 HA CYS 22 0.754 -1.717 -0.231
158 HB2 CYS 22 HB3 CYS 22 -0.941 -2.852 -1.538
159 HB3 CYS 22 HB2 CYS 22 0.301 -3.508 -2.622
160 H SER 23 H SER 23 2.529 -2.454 0.513
161 HA SER 23 HA SER 23 4.785 -2.862 -1.286
162 HB2 SER 23 HB3 SER 23 5.235 -1.375 0.622
163 HB3 SER 23 HB2 SER 23 4.630 -2.581 1.742
164 HG SER 23 HG SER 23 6.891 -2.591 1.668
165 H ARG 24 H ARG 24 5.112 -4.913 -1.883
166 HA ARG 24 HA ARG 24 3.695 -7.064 -0.600
167 HB2 ARG 24 HB3 ARG 24 4.743 -6.677 -3.117
168 HB3 ARG 24 HB2 ARG 24 5.933 -7.748 -2.405
169 HG2 ARG 24 2HG ARG 24 2.987 -8.286 -2.755
170 HG3 ARG 24 1HG ARG 24 4.312 -9.030 -3.636
171 HD2 ARG 24 2HD ARG 24 5.090 -10.068 -1.526
172 HD3 ARG 24 1HD ARG 24 3.720 -9.344 -0.689
173 HE ARG 24 HE ARG 24 2.860 -10.826 -2.931
174 HH11 ARG 24 1HH1 ARG 24 4.068 -11.326 0.361
175 HH12 ARG 24 2HH1 ARG 24 3.247 -12.797 0.577
176 HH21 ARG 24 1HH2 ARG 24 1.730 -12.882 -2.612
177 HH22 ARG 24 2HH2 ARG 24 1.888 -13.698 -1.132
178 H ARG 25 H ARG 25 6.699 -5.551 -0.469
179 HA ARG 25 HA ARG 25 8.363 -7.425 0.794
180 HB2 ARG 25 HB3 ARG 25 9.086 -5.406 -0.358
181 HB3 ARG 25 HB2 ARG 25 8.263 -4.424 0.828
182 HG2 ARG 25 2HG ARG 25 9.765 -5.339 2.549
183 HG3 ARG 25 1HG ARG 25 10.666 -6.146 1.250
184 HD2 ARG 25 2HD ARG 25 11.699 -3.985 1.825
185 HD3 ARG 25 1HD ARG 25 11.069 -3.984 0.177
186 HE ARG 25 HE ARG 25 9.335 -2.950 2.286
187 HH11 ARG 25 1HH1 ARG 25 11.485 -2.134 -0.417
188 HH12 ARG 25 2HH1 ARG 25 10.811 -0.585 -0.624
189 HH21 ARG 25 1HH2 ARG 25 8.452 -0.938 1.986
190 HH22 ARG 25 2HH2 ARG 25 9.023 0.155 0.786
191 H ASP 26 H ASP 26 6.436 -4.738 2.000
192 HA ASP 26 HA ASP 26 6.951 -5.477 4.777
193 HB2 ASP 26 HB3 ASP 26 5.392 -3.155 3.642
194 HB3 ASP 26 HB2 ASP 26 5.707 -3.415 5.348
195 H ARG 27 H ARG 27 4.356 -5.604 2.470
196 HA ARG 27 HA ARG 27 2.441 -6.467 2.359
197 HB2 ARG 27 HB3 ARG 27 2.848 -7.551 5.143
198 HB3 ARG 27 HB2 ARG 27 1.453 -7.858 4.096
199 HG2 ARG 27 2HG ARG 27 2.969 -8.868 2.429
200 HG3 ARG 27 1HG ARG 27 4.305 -8.661 3.562
201 HD2 ARG 27 2HD ARG 27 3.454 -10.935 3.680
202 HD3 ARG 27 1HD ARG 27 3.115 -10.080 5.185
203 HE ARG 27 HE ARG 27 0.931 -9.784 3.474
204 HH11 ARG 27 1HH1 ARG 27 2.489 -12.387 5.353
205 HH12 ARG 27 2HH1 ARG 27 1.042 -13.234 5.600
206 HH21 ARG 27 1HH2 ARG 27 -1.033 -11.001 3.831
207 HH22 ARG 27 2HH2 ARG 27 -0.992 -12.453 4.709
208 H TRP 28 H TRP 28 3.138 -3.872 3.654
209 HA TRP 28 HA TRP 28 0.384 -3.205 3.864
210 HB2 TRP 28 HB3 TRP 28 0.837 -1.471 5.663
211 HB3 TRP 28 HB2 TRP 28 0.842 -3.136 6.186
212 HD1 TRP 28 HD TRP 28 3.255 -0.189 5.609
213 HE1 TRP 28 1HE TRP 28 5.305 -0.590 7.212
214 HE3 TRP 28 3HE TRP 28 2.139 -4.862 7.307
215 HZ2 TRP 28 2HZ TRP 28 6.284 -2.587 8.854
216 HZ3 TRP 28 3HZ TRP 28 3.679 -5.950 8.884
217 HH2 TRP 28 HH TRP 28 5.705 -4.832 9.637
218 H CYS 29 H CYS 29 -0.031 -0.877 3.540
219 HA CYS 29 HA CYS 29 1.160 -0.275 1.060
220 HB2 CYS 29 HB3 CYS 29 -1.222 0.071 1.584
221 HB3 CYS 29 HB2 CYS 29 -0.761 1.319 2.738
222 H LYS 30 H LYS 30 2.570 1.267 0.559
223 HA LYS 30 HA LYS 30 3.379 3.289 2.425
224 HB2 LYS 30 HB3 LYS 30 5.274 1.197 1.377
225 HB3 LYS 30 HB2 LYS 30 5.811 2.776 1.874
226 HG2 LYS 30 2HG LYS 30 4.973 2.272 4.164
227 HG3 LYS 30 1HG LYS 30 4.493 0.671 3.594
228 HD2 LYS 30 2HD LYS 30 6.792 0.092 3.127
229 HD3 LYS 30 1HD LYS 30 7.324 1.731 3.515
230 HE2 LYS 30 2HE LYS 30 6.599 1.441 5.817
231 HE3 LYS 30 1HE LYS 30 5.991 -0.166 5.441
232 HZ1 LYS 30 1HZ LYS 30 8.150 -0.163 6.561
233 HZ2 LYS 30 2HZ LYS 30 8.880 0.595 5.242
234 HZ3 LYS 30 3HZ LYS 30 8.217 -0.945 5.091
235 H TYR 31 H TYR 31 5.228 4.578 1.254
236 HA TYR 31 HA TYR 31 4.047 5.650 -1.107
237 HB2 TYR 31 HB3 TYR 31 5.257 6.984 0.610
238 HB3 TYR 31 HB2 TYR 31 6.734 6.138 0.196
239 HD1 TYR 31 1HD TYR 31 8.187 7.114 -1.314
240 HD2 TYR 31 2HD TYR 31 4.092 8.252 -1.356
241 HE1 TYR 31 1HE TYR 31 8.700 8.856 -2.942
242 HE2 TYR 31 2HE TYR 31 4.587 9.998 -2.990
243 HH TYR 31 HH TYR 31 6.505 11.321 -3.650
244 H ASP 32 H ASP 32 4.293 4.747 -3.047
245 HA ASP 32 HA ASP 32 6.628 3.006 -3.453
246 HB2 ASP 32 HB3 ASP 32 4.476 1.825 -3.557
247 HB3 ASP 32 HB2 ASP 32 3.951 2.879 -4.859
248 H LEU 33 H LEU 33 4.648 5.350 -5.030
249 HA LEU 33 HA LEU 33 6.657 5.641 -7.164
250 HB2 LEU 33 HB3 LEU 33 3.912 6.900 -6.983
251 HB3 LEU 33 HB2 LEU 33 5.033 7.120 -8.293
252 HG LEU 33 HG LEU 33 3.391 5.668 -9.079
253 HD11 LEU 33 HD11 LEU 33 5.753 3.987 -8.347
254 HD12 LEU 33 HD12 LEU 33 5.586 5.035 -9.755
255 HD13 LEU 33 HD13 LEU 33 4.564 3.609 -9.593
256 HD21 LEU 33 HD21 LEU 33 3.764 3.948 -6.632
257 HD22 LEU 33 HD22 LEU 33 2.673 3.606 -7.980
258 HD23 LEU 33 HD23 LEU 33 2.391 5.005 -6.949
259 HN1 NH2 34 HN1 NH2 34 8.216 6.719 -5.998
260 HN2 NH2 34 HN2 NH2 34 8.029 8.356 -5.492
Start of MODEL 19
1 H1 ASP 1 1HT ASP 1 -11.466 9.323 1.016
2 H2 ASP 1 2HT ASP 1 -12.725 9.513 -0.090
3 H3 ASP 1 3HT ASP 1 -11.107 9.690 -0.573
4 HA ASP 1 HA ASP 1 -12.257 7.208 0.468
5 HB2 ASP 1 HB3 ASP 1 -11.810 8.143 -2.352
6 HB3 ASP 1 HB2 ASP 1 -11.808 6.432 -1.952
7 H CYS 2 H CYS 2 -10.857 5.366 -0.288
8 HA CYS 2 HA CYS 2 -9.149 4.204 0.079
9 HB2 CYS 2 HB3 CYS 2 -7.049 4.759 -0.992
10 HB3 CYS 2 HB2 CYS 2 -8.401 4.662 -2.083
11 H LEU 3 H LEU 3 -6.832 3.944 0.787
12 HA LEU 3 HA LEU 3 -6.754 5.024 3.468
13 HB2 LEU 3 HB3 LEU 3 -5.008 2.956 2.218
14 HB3 LEU 3 HB2 LEU 3 -5.434 3.184 3.896
15 HG LEU 3 HG LEU 3 -7.342 2.315 1.774
16 HD11 LEU 3 HD11 LEU 3 -5.793 0.665 3.807
17 HD12 LEU 3 HD12 LEU 3 -5.625 0.621 2.045
18 HD13 LEU 3 HD13 LEU 3 -7.101 0.043 2.797
19 HD21 LEU 3 HD21 LEU 3 -7.560 2.292 4.789
20 HD22 LEU 3 HD22 LEU 3 -8.753 1.624 3.671
21 HD23 LEU 3 HD23 LEU 3 -8.429 3.357 3.681
22 H GLY 4 H GLY 4 -4.744 5.798 4.319
23 HA2 GLY 4 2HA GLY 4 -2.819 6.868 2.438
24 HA3 GLY 4 1HA GLY 4 -2.808 7.066 4.199
25 H TRP 5 H TRP 5 -0.358 6.223 3.417
26 HA TRP 5 HA TRP 5 -0.544 3.482 3.035
27 HB2 TRP 5 HB3 TRP 5 1.560 3.570 2.339
28 HB3 TRP 5 HB2 TRP 5 1.059 5.179 1.976
29 HD1 TRP 5 HD TRP 5 3.404 3.251 4.274
30 HE1 TRP 5 1HE TRP 5 5.165 4.783 5.152
31 HE3 TRP 5 3HE TRP 5 1.412 7.605 2.641
32 HZ2 TRP 5 2HZ TRP 5 5.676 7.624 5.211
33 HZ3 TRP 5 3HZ TRP 5 2.566 9.707 3.148
34 HH2 TRP 5 HH TRP 5 4.674 9.714 4.416
35 H PHE 6 H PHE 6 1.248 2.319 4.278
36 HA PHE 6 HA PHE 6 1.917 1.226 6.008
37 HB2 PHE 6 HB3 PHE 6 2.425 3.534 7.059
38 HB3 PHE 6 HB2 PHE 6 0.940 3.306 7.979
39 HD1 PHE 6 1HD PHE 6 0.872 1.830 9.851
40 HD2 PHE 6 2HD PHE 6 4.279 1.935 7.317
41 HE1 PHE 6 1HE PHE 6 2.096 0.423 11.442
42 HE2 PHE 6 2HE PHE 6 5.506 0.532 8.898
43 HZ PHE 6 HZ PHE 6 4.426 -0.234 10.954
44 H LYS 7 H LYS 7 -1.319 2.173 5.646
45 HA LYS 7 HA LYS 7 -2.432 0.328 7.444
46 HB2 LYS 7 HB3 LYS 7 -3.469 1.456 4.865
47 HB3 LYS 7 HB2 LYS 7 -4.406 0.591 6.049
48 HG2 LYS 7 2HG LYS 7 -3.015 3.167 6.680
49 HG3 LYS 7 1HG LYS 7 -4.687 3.077 6.134
50 HD2 LYS 7 2HD LYS 7 -5.121 1.519 8.068
51 HD3 LYS 7 1HD LYS 7 -3.489 1.866 8.631
52 HE2 LYS 7 2HE LYS 7 -5.692 3.876 8.245
53 HE3 LYS 7 1HE LYS 7 -5.179 3.209 9.786
54 HZ1 LYS 7 1HZ LYS 7 -3.025 4.233 9.490
55 HZ2 LYS 7 2HZ LYS 7 -4.240 5.387 9.395
56 HZ3 LYS 7 3HZ LYS 7 -3.476 4.868 7.992
57 H SER 8 H SER 8 -3.139 -1.577 6.922
58 HA SER 8 HA SER 8 -1.477 -3.042 5.088
59 HB2 SER 8 HB3 SER 8 -2.025 -3.953 7.351
60 HB3 SER 8 HB2 SER 8 -3.693 -4.177 6.818
61 HG SER 8 HG SER 8 -1.452 -5.310 5.493
62 H CYS 9 H CYS 9 -2.302 -4.510 3.464
63 HA CYS 9 HA CYS 9 -4.822 -3.847 2.339
64 HB2 CYS 9 HB3 CYS 9 -3.578 -3.250 0.222
65 HB3 CYS 9 HB2 CYS 9 -3.621 -2.028 1.489
66 H ASP 10 H ASP 10 -4.725 -4.914 0.106
67 HA ASP 10 HA ASP 10 -3.176 -7.407 0.182
68 HB2 ASP 10 HB3 ASP 10 -5.735 -7.603 0.326
69 HB3 ASP 10 HB2 ASP 10 -5.761 -6.945 -1.308
70 HA PRO 11 HA PRO 11 -1.244 -5.146 -3.068
71 HB2 PRO 11 HB3 PRO 11 0.244 -7.220 -4.106
72 HB3 PRO 11 HB2 PRO 11 0.720 -6.223 -2.730
73 HG2 PRO 11 2HG PRO 11 -0.491 -8.944 -2.764
74 HG3 PRO 11 1HG PRO 11 0.717 -8.248 -1.666
75 HD2 PRO 11 2HD PRO 11 -1.882 -8.583 -1.000
76 HD3 PRO 11 1HD PRO 11 -0.870 -7.286 -0.332
77 H LYS 12 H LYS 12 -3.151 -8.015 -3.652
78 HA LYS 12 HA LYS 12 -3.153 -7.782 -6.465
79 HB2 LYS 12 HB3 LYS 12 -3.682 -9.807 -4.856
80 HB3 LYS 12 HB2 LYS 12 -5.297 -9.128 -4.872
81 HG2 LYS 12 2HG LYS 12 -5.179 -10.847 -6.509
82 HG3 LYS 12 1HG LYS 12 -5.284 -9.293 -7.345
83 HD2 LYS 12 2HD LYS 12 -3.557 -10.517 -8.474
84 HD3 LYS 12 1HD LYS 12 -2.797 -9.309 -7.422
85 HE2 LYS 12 2HE LYS 12 -2.332 -10.976 -5.735
86 HE3 LYS 12 1HE LYS 12 -3.112 -12.212 -6.713
87 HZ1 LYS 12 1HZ LYS 12 -0.687 -12.217 -6.895
88 HZ2 LYS 12 2HZ LYS 12 -0.718 -10.663 -7.519
89 HZ3 LYS 12 3HZ LYS 12 -1.411 -11.938 -8.389
90 H ASN 13 H ASN 13 -4.916 -6.407 -3.814
91 HA ASN 13 HA ASN 13 -6.453 -4.823 -5.696
92 HB2 ASN 13 HB3 ASN 13 -7.929 -6.684 -4.973
93 HB3 ASN 13 HB2 ASN 13 -7.691 -6.199 -3.301
94 HD21 ASN 13 HD21 ASN 13 -9.205 -5.373 -6.313
95 HD22 ASN 13 HD22 ASN 13 -10.266 -4.179 -5.682
96 H ASP 14 H ASP 14 -4.946 -3.299 -5.174
97 HA ASP 14 HA ASP 14 -4.225 -2.378 -2.621
98 HB2 ASP 14 HB3 ASP 14 -3.096 -1.916 -4.779
99 HB3 ASP 14 HB2 ASP 14 -4.414 -0.772 -5.128
100 H LYS 15 H LYS 15 -5.034 -0.871 -1.379
101 HA LYS 15 HA LYS 15 -7.684 0.244 -2.025
102 HB2 LYS 15 HB3 LYS 15 -6.637 -0.958 0.507
103 HB3 LYS 15 HB2 LYS 15 -8.016 0.123 0.501
104 HG2 LYS 15 2HG LYS 15 -7.879 -2.402 -1.123
105 HG3 LYS 15 1HG LYS 15 -8.533 -2.340 0.513
106 HD2 LYS 15 2HD LYS 15 -10.166 -0.642 -0.244
107 HD3 LYS 15 1HD LYS 15 -9.537 -0.805 -1.884
108 HE2 LYS 15 2HE LYS 15 -10.200 -3.108 -1.962
109 HE3 LYS 15 1HE LYS 15 -10.709 -3.063 -0.275
110 HZ1 LYS 15 1HZ LYS 15 -12.553 -2.896 -1.815
111 HZ2 LYS 15 2HZ LYS 15 -11.918 -1.462 -2.460
112 HZ3 LYS 15 3HZ LYS 15 -12.433 -1.513 -0.859
113 H CYS 16 H CYS 16 -4.637 1.169 -1.797
114 HA CYS 16 HA CYS 16 -5.109 3.342 0.060
115 HB2 CYS 16 HB3 CYS 16 -2.555 2.274 -1.135
116 HB3 CYS 16 HB2 CYS 16 -2.666 3.611 0.013
117 H CYS 17 H CYS 17 -4.235 5.474 -0.599
118 HA CYS 17 HA CYS 17 -5.361 6.120 -3.030
119 HB2 CYS 17 HB3 CYS 17 -3.766 7.691 -1.029
120 HB3 CYS 17 HB2 CYS 17 -4.622 8.381 -2.404
121 H LYS 18 H LYS 18 -3.972 7.866 -4.309
122 HA LYS 18 HA LYS 18 -2.098 6.471 -5.786
123 HB2 LYS 18 HB3 LYS 18 -3.673 8.282 -6.579
124 HB3 LYS 18 HB2 LYS 18 -2.652 9.441 -5.762
125 HG2 LYS 18 2HG LYS 18 -2.236 9.360 -8.185
126 HG3 LYS 18 1HG LYS 18 -0.808 8.943 -7.242
127 HD2 LYS 18 2HD LYS 18 -1.107 7.460 -9.198
128 HD3 LYS 18 1HD LYS 18 -1.163 6.578 -7.680
129 HE2 LYS 18 2HE LYS 18 -3.652 6.616 -7.812
130 HE3 LYS 18 1HE LYS 18 -3.515 7.413 -9.380
131 HZ1 LYS 18 1HZ LYS 18 -2.397 5.476 -10.239
132 HZ2 LYS 18 2HZ LYS 18 -3.868 5.020 -9.561
133 HZ3 LYS 18 3HZ LYS 18 -2.439 4.727 -8.724
134 H ASN 19 H ASN 19 -0.002 7.105 -6.156
135 HA ASN 19 HA ASN 19 2.160 7.584 -5.739
136 HB2 ASN 19 HB3 ASN 19 1.204 9.229 -3.374
137 HB3 ASN 19 HB2 ASN 19 2.878 9.127 -3.917
138 HD21 ASN 19 HD21 ASN 19 1.271 11.502 -3.678
139 HD22 ASN 19 HD22 ASN 19 1.114 12.180 -5.242
140 H TYR 20 H TYR 20 0.198 6.507 -3.212
141 HA TYR 20 HA TYR 20 2.306 5.016 -1.927
142 HB2 TYR 20 HB3 TYR 20 -0.661 4.765 -1.455
143 HB3 TYR 20 HB2 TYR 20 0.668 4.441 -0.357
144 HD1 TYR 20 1HD TYR 20 2.222 6.934 -0.439
145 HD2 TYR 20 2HD TYR 20 -1.986 6.351 -0.456
146 HE1 TYR 20 1HE TYR 20 1.911 9.164 0.531
147 HE2 TYR 20 2HE TYR 20 -2.302 8.585 0.513
148 HH TYR 20 HH TYR 20 0.168 10.881 0.635
149 H THR 21 H THR 21 2.144 2.675 -1.903
150 HA THR 21 HA THR 21 0.218 1.415 -3.660
151 HB THR 21 HB THR 21 3.160 0.891 -3.992
152 HG1 THR 21 1HG THR 21 1.597 2.842 -4.991
153 HG21 THR 21 1HG2 THR 21 0.790 0.039 -5.675
154 HG22 THR 21 2HG2 THR 21 1.726 -0.994 -4.598
155 HG23 THR 21 3HG2 THR 21 2.477 -0.320 -6.044
156 H CYS 22 H CYS 22 -0.122 -0.613 -3.064
157 HA CYS 22 HA CYS 22 0.559 -1.415 -0.446
158 HB2 CYS 22 HB3 CYS 22 -1.533 -1.951 -1.514
159 HB3 CYS 22 HB2 CYS 22 -0.696 -3.034 -2.646
160 H SER 23 H SER 23 1.998 -2.759 0.266
161 HA SER 23 HA SER 23 3.997 -3.776 -1.612
162 HB2 SER 23 HB3 SER 23 4.904 -2.296 0.100
163 HB3 SER 23 HB2 SER 23 4.113 -3.223 1.367
164 HG SER 23 HG SER 23 6.353 -3.671 1.144
165 H ARG 24 H ARG 24 4.301 -5.946 -1.802
166 HA ARG 24 HA ARG 24 2.479 -7.690 -0.355
167 HB2 ARG 24 HB3 ARG 24 3.126 -7.875 -2.875
168 HB3 ARG 24 HB2 ARG 24 4.644 -8.526 -2.305
169 HG2 ARG 24 2HG ARG 24 1.911 -9.782 -1.859
170 HG3 ARG 24 1HG ARG 24 3.080 -10.282 -3.064
171 HD2 ARG 24 2HD ARG 24 4.646 -10.805 -1.175
172 HD3 ARG 24 1HD ARG 24 3.316 -10.425 -0.079
173 HE ARG 24 HE ARG 24 2.172 -12.245 -1.611
174 HH11 ARG 24 1HH1 ARG 24 5.393 -12.304 -0.084
175 HH12 ARG 24 2HH1 ARG 24 5.404 -14.000 0.082
176 HH21 ARG 24 1HH2 ARG 24 2.260 -14.590 -1.367
177 HH22 ARG 24 2HH2 ARG 24 3.617 -15.301 -0.630
178 H ARG 25 H ARG 25 5.720 -6.673 -0.439
179 HA ARG 25 HA ARG 25 6.992 -8.662 1.075
180 HB2 ARG 25 HB3 ARG 25 8.127 -6.937 -0.296
181 HB3 ARG 25 HB2 ARG 25 7.608 -5.714 0.857
182 HG2 ARG 25 2HG ARG 25 8.820 -6.997 2.596
183 HG3 ARG 25 1HG ARG 25 9.505 -7.976 1.289
184 HD2 ARG 25 2HD ARG 25 11.074 -6.237 1.853
185 HD3 ARG 25 1HD ARG 25 10.380 -5.874 0.271
186 HE ARG 25 HE ARG 25 8.803 -4.540 2.102
187 HH11 ARG 25 1HH1 ARG 25 12.224 -4.374 1.158
188 HH12 ARG 25 2HH1 ARG 25 12.399 -2.768 1.690
189 HH21 ARG 25 1HH2 ARG 25 9.045 -2.473 2.803
190 HH22 ARG 25 2HH2 ARG 25 10.527 -1.606 2.618
191 H ASP 26 H ASP 26 5.807 -5.454 1.941
192 HA ASP 26 HA ASP 26 6.143 -5.942 4.780
193 HB2 ASP 26 HB3 ASP 26 4.962 -3.536 3.362
194 HB3 ASP 26 HB2 ASP 26 5.415 -3.616 5.056
195 H ARG 27 H ARG 27 3.633 -5.999 2.409
196 HA ARG 27 HA ARG 27 1.565 -6.489 2.319
197 HB2 ARG 27 HB3 ARG 27 1.829 -7.564 5.138
198 HB3 ARG 27 HB2 ARG 27 0.459 -7.789 4.023
199 HG2 ARG 27 2HG ARG 27 1.905 -8.914 2.457
200 HG3 ARG 27 1HG ARG 27 3.255 -8.735 3.574
201 HD2 ARG 27 2HD ARG 27 2.041 -10.074 5.232
202 HD3 ARG 27 1HD ARG 27 0.710 -10.265 4.086
203 HE ARG 27 HE ARG 27 3.326 -11.065 3.170
204 HH11 ARG 27 1HH1 ARG 27 0.248 -12.168 4.550
205 HH12 ARG 27 2HH1 ARG 27 0.478 -13.787 4.108
206 HH21 ARG 27 1HH2 ARG 27 3.608 -13.245 2.515
207 HH22 ARG 27 2HH2 ARG 27 2.439 -14.430 2.880
208 H TRP 28 H TRP 28 2.531 -3.965 3.375
209 HA TRP 28 HA TRP 28 -0.105 -2.884 3.687
210 HB2 TRP 28 HB3 TRP 28 0.611 -1.253 5.407
211 HB3 TRP 28 HB2 TRP 28 0.686 -2.888 6.018
212 HD1 TRP 28 HD TRP 28 3.157 -0.227 4.598
213 HE1 TRP 28 1HE TRP 28 5.369 -0.436 5.942
214 HE3 TRP 28 3HE TRP 28 1.969 -4.210 7.570
215 HZ2 TRP 28 2HZ TRP 28 6.440 -2.046 7.953
216 HZ3 TRP 28 3HZ TRP 28 3.641 -5.013 9.186
217 HH2 TRP 28 HH TRP 28 5.837 -3.942 9.363
218 H CYS 29 H CYS 29 -0.084 -0.533 3.169
219 HA CYS 29 HA CYS 29 1.346 -0.229 0.775
220 HB2 CYS 29 HB3 CYS 29 -0.483 1.452 2.393
221 HB3 CYS 29 HB2 CYS 29 0.178 1.967 0.843
222 H LYS 30 H LYS 30 2.956 1.178 0.346
223 HA LYS 30 HA LYS 30 3.807 2.985 2.441
224 HB2 LYS 30 HB3 LYS 30 5.630 1.202 0.831
225 HB3 LYS 30 HB2 LYS 30 6.153 2.601 1.723
226 HG2 LYS 30 2HG LYS 30 5.482 1.561 3.819
227 HG3 LYS 30 1HG LYS 30 4.845 0.172 2.942
228 HD2 LYS 30 2HD LYS 30 7.072 -0.276 3.898
229 HD3 LYS 30 1HD LYS 30 7.059 -0.390 2.143
230 HE2 LYS 30 2HE LYS 30 9.054 0.769 2.910
231 HE3 LYS 30 1HE LYS 30 8.037 1.851 1.979
232 HZ1 LYS 30 1HZ LYS 30 7.259 2.850 4.079
233 HZ2 LYS 30 2HZ LYS 30 8.926 2.923 3.953
234 HZ3 LYS 30 3HZ LYS 30 8.214 1.765 4.946
235 H TYR 31 H TYR 31 5.416 4.587 1.386
236 HA TYR 31 HA TYR 31 4.030 5.663 -0.875
237 HB2 TYR 31 HB3 TYR 31 5.005 7.119 0.943
238 HB3 TYR 31 HB2 TYR 31 6.608 6.609 0.431
239 HD1 TYR 31 1HD TYR 31 3.813 8.809 -0.244
240 HD2 TYR 31 2HD TYR 31 7.460 7.308 -1.830
241 HE1 TYR 31 1HE TYR 31 3.833 10.614 -1.900
242 HE2 TYR 31 2HE TYR 31 7.494 9.110 -3.482
243 HH TYR 31 HH TYR 31 5.777 10.526 -4.592
244 H ASP 32 H ASP 32 4.522 5.177 -2.885
245 HA ASP 32 HA ASP 32 7.035 3.753 -3.354
246 HB2 ASP 32 HB3 ASP 32 5.039 2.491 -3.996
247 HB3 ASP 32 HB2 ASP 32 4.506 3.822 -5.012
248 H LEU 33 H LEU 33 4.964 5.694 -5.309
249 HA LEU 33 HA LEU 33 6.998 7.702 -5.721
250 HB2 LEU 33 HB3 LEU 33 6.049 5.971 -8.017
251 HB3 LEU 33 HB2 LEU 33 6.776 7.542 -8.255
252 HG LEU 33 HG LEU 33 8.155 5.173 -6.980
253 HD11 LEU 33 HD11 LEU 33 8.485 6.389 -9.716
254 HD12 LEU 33 HD12 LEU 33 7.714 4.841 -9.371
255 HD13 LEU 33 HD13 LEU 33 9.435 5.062 -9.047
256 HD21 LEU 33 HD21 LEU 33 10.177 6.558 -7.256
257 HD22 LEU 33 HD22 LEU 33 9.019 7.275 -6.143
258 HD23 LEU 33 HD23 LEU 33 9.162 7.898 -7.788
259 HN1 NH2 34 HN1 NH2 34 4.268 6.794 -7.714
260 HN2 NH2 34 HN2 NH2 34 3.329 8.211 -7.379
Start of MODEL 20
1 H1 ASP 1 1HT ASP 1 -13.888 6.087 -0.505
2 H2 ASP 1 2HT ASP 1 -13.068 4.841 0.304
3 H3 ASP 1 3HT ASP 1 -12.881 5.028 -1.343
4 HA ASP 1 HA ASP 1 -11.766 7.110 -1.089
5 HB2 ASP 1 HB3 ASP 1 -12.097 6.554 1.867
6 HB3 ASP 1 HB2 ASP 1 -11.100 7.831 1.186
7 H CYS 2 H CYS 2 -9.451 7.184 -0.578
8 HA CYS 2 HA CYS 2 -8.488 4.470 -0.478
9 HB2 CYS 2 HB3 CYS 2 -6.355 5.379 -1.053
10 HB3 CYS 2 HB2 CYS 2 -7.569 5.646 -2.293
11 H LEU 3 H LEU 3 -6.269 4.311 0.557
12 HA LEU 3 HA LEU 3 -6.842 4.786 3.349
13 HB2 LEU 3 HB3 LEU 3 -4.799 3.113 2.037
14 HB3 LEU 3 HB2 LEU 3 -5.395 2.994 3.681
15 HG LEU 3 HG LEU 3 -6.961 2.461 1.199
16 HD11 LEU 3 HD11 LEU 3 -5.264 0.722 1.598
17 HD12 LEU 3 HD12 LEU 3 -6.858 0.059 1.966
18 HD13 LEU 3 HD13 LEU 3 -5.790 0.563 3.273
19 HD21 LEU 3 HD21 LEU 3 -8.397 3.245 2.993
20 HD22 LEU 3 HD22 LEU 3 -7.717 2.054 4.103
21 HD23 LEU 3 HD23 LEU 3 -8.682 1.528 2.722
22 H GLY 4 H GLY 4 -5.551 5.951 4.590
23 HA2 GLY 4 2HA GLY 4 -3.092 7.112 3.671
24 HA3 GLY 4 1HA GLY 4 -3.731 7.139 5.337
25 H TRP 5 H TRP 5 -1.097 6.054 3.947
26 HA TRP 5 HA TRP 5 -1.334 3.396 3.916
27 HB2 TRP 5 HB3 TRP 5 0.791 3.402 3.175
28 HB3 TRP 5 HB2 TRP 5 0.236 4.991 2.763
29 HD1 TRP 5 HD TRP 5 2.824 3.182 4.647
30 HE1 TRP 5 1HE TRP 5 4.540 4.774 5.595
31 HE3 TRP 5 3HE TRP 5 0.327 7.543 3.837
32 HZ2 TRP 5 2HZ TRP 5 4.814 7.584 6.006
33 HZ3 TRP 5 3HZ TRP 5 1.383 9.653 4.549
34 HH2 TRP 5 HH TRP 5 3.577 9.671 5.609
35 H PHE 6 H PHE 6 0.592 2.164 5.019
36 HA PHE 6 HA PHE 6 1.125 0.847 6.682
37 HB2 PHE 6 HB3 PHE 6 0.320 3.142 8.435
38 HB3 PHE 6 HB2 PHE 6 0.611 1.545 9.115
39 HD1 PHE 6 1HD PHE 6 2.100 4.589 8.075
40 HD2 PHE 6 2HD PHE 6 2.856 0.443 8.595
41 HE1 PHE 6 1HE PHE 6 4.520 5.037 8.153
42 HE2 PHE 6 2HE PHE 6 5.267 0.877 8.672
43 HZ PHE 6 HZ PHE 6 6.104 3.180 8.453
44 H LYS 7 H LYS 7 -1.923 1.411 5.776
45 HA LYS 7 HA LYS 7 -3.218 -0.332 7.615
46 HB2 LYS 7 HB3 LYS 7 -4.092 0.559 4.873
47 HB3 LYS 7 HB2 LYS 7 -5.086 -0.089 6.160
48 HG2 LYS 7 2HG LYS 7 -3.642 2.514 6.319
49 HG3 LYS 7 1HG LYS 7 -5.312 2.345 5.813
50 HD2 LYS 7 2HD LYS 7 -5.838 1.346 8.004
51 HD3 LYS 7 1HD LYS 7 -4.152 1.552 8.485
52 HE2 LYS 7 2HE LYS 7 -6.034 3.748 7.672
53 HE3 LYS 7 1HE LYS 7 -5.594 3.364 9.339
54 HZ1 LYS 7 1HZ LYS 7 -4.334 5.243 8.424
55 HZ2 LYS 7 2HZ LYS 7 -3.691 4.291 7.222
56 HZ3 LYS 7 3HZ LYS 7 -3.304 3.988 8.837
57 H SER 8 H SER 8 -3.870 -2.331 7.034
58 HA SER 8 HA SER 8 -2.113 -3.909 5.470
59 HB2 SER 8 HB3 SER 8 -4.740 -4.566 6.778
60 HB3 SER 8 HB2 SER 8 -3.494 -5.697 6.263
61 HG SER 8 HG SER 8 -2.321 -3.923 7.829
62 H CYS 9 H CYS 9 -2.536 -4.755 3.402
63 HA CYS 9 HA CYS 9 -5.072 -4.634 2.214
64 HB2 CYS 9 HB3 CYS 9 -4.082 -3.279 0.307
65 HB3 CYS 9 HB2 CYS 9 -4.588 -2.362 1.715
66 H ASP 10 H ASP 10 -4.477 -5.105 -0.261
67 HA ASP 10 HA ASP 10 -2.259 -7.020 -0.253
68 HB2 ASP 10 HB3 ASP 10 -4.449 -8.212 -0.237
69 HB3 ASP 10 HB2 ASP 10 -4.892 -7.358 -1.715
70 HA PRO 11 HA PRO 11 -0.714 -4.535 -3.579
71 HB2 PRO 11 HB3 PRO 11 0.132 -6.790 -5.117
72 HB3 PRO 11 HB2 PRO 11 1.118 -5.704 -4.138
73 HG2 PRO 11 2HG PRO 11 0.111 -8.386 -3.500
74 HG3 PRO 11 1HG PRO 11 1.435 -7.448 -2.782
75 HD2 PRO 11 2HD PRO 11 -0.930 -7.947 -1.529
76 HD3 PRO 11 1HD PRO 11 0.096 -6.539 -1.185
77 H LYS 12 H LYS 12 -2.744 -7.442 -4.438
78 HA LYS 12 HA LYS 12 -3.358 -6.340 -6.987
79 HB2 LYS 12 HB3 LYS 12 -4.228 -8.713 -5.419
80 HB3 LYS 12 HB2 LYS 12 -4.837 -8.317 -7.008
81 HG2 LYS 12 2HG LYS 12 -2.533 -8.505 -7.886
82 HG3 LYS 12 1HG LYS 12 -1.988 -8.959 -6.267
83 HD2 LYS 12 2HD LYS 12 -3.482 -10.874 -6.298
84 HD3 LYS 12 1HD LYS 12 -4.036 -10.424 -7.912
85 HE2 LYS 12 2HE LYS 12 -1.725 -10.687 -8.731
86 HE3 LYS 12 1HE LYS 12 -1.243 -11.235 -7.125
87 HZ1 LYS 12 1HZ LYS 12 -3.226 -12.559 -8.890
88 HZ2 LYS 12 2HZ LYS 12 -2.796 -13.087 -7.354
89 HZ3 LYS 12 3HZ LYS 12 -1.660 -13.089 -8.591
90 H ASN 13 H ASN 13 -4.468 -6.043 -3.839
91 HA ASN 13 HA ASN 13 -7.054 -4.995 -4.773
92 HB2 ASN 13 HB3 ASN 13 -7.149 -7.174 -3.361
93 HB3 ASN 13 HB2 ASN 13 -6.598 -6.176 -2.019
94 HD21 ASN 13 HD21 ASN 13 -8.484 -6.520 -0.866
95 HD22 ASN 13 HD22 ASN 13 -9.983 -5.786 -1.305
96 H ASP 14 H ASP 14 -5.370 -3.289 -5.019
97 HA ASP 14 HA ASP 14 -4.353 -2.019 -2.636
98 HB2 ASP 14 HB3 ASP 14 -3.075 -2.186 -4.703
99 HB3 ASP 14 HB2 ASP 14 -4.253 -1.124 -5.497
100 H LYS 15 H LYS 15 -5.188 -0.478 -1.699
101 HA LYS 15 HA LYS 15 -7.361 1.111 -2.879
102 HB2 LYS 15 HB3 LYS 15 -7.267 -0.230 -0.206
103 HB3 LYS 15 HB2 LYS 15 -8.086 1.310 -0.338
104 HG2 LYS 15 2HG LYS 15 -9.725 -0.432 -0.490
105 HG3 LYS 15 1HG LYS 15 -9.558 0.287 -2.085
106 HD2 LYS 15 2HD LYS 15 -8.147 -1.585 -2.777
107 HD3 LYS 15 1HD LYS 15 -8.302 -2.296 -1.171
108 HE2 LYS 15 2HE LYS 15 -9.849 -3.360 -2.712
109 HE3 LYS 15 1HE LYS 15 -10.730 -2.454 -1.486
110 HZ1 LYS 15 1HZ LYS 15 -11.022 -0.657 -3.115
111 HZ2 LYS 15 2HZ LYS 15 -11.709 -2.076 -3.602
112 HZ3 LYS 15 3HZ LYS 15 -10.255 -1.590 -4.303
113 H CYS 16 H CYS 16 -4.405 1.438 -2.481
114 HA CYS 16 HA CYS 16 -4.181 3.513 -0.516
115 HB2 CYS 16 HB3 CYS 16 -2.250 2.456 -2.581
116 HB3 CYS 16 HB2 CYS 16 -1.857 3.600 -1.302
117 H CYS 17 H CYS 17 -3.575 5.677 -1.073
118 HA CYS 17 HA CYS 17 -4.864 6.768 -3.346
119 HB2 CYS 17 HB3 CYS 17 -2.881 8.107 -1.500
120 HB3 CYS 17 HB2 CYS 17 -4.172 8.818 -2.440
121 H LYS 18 H LYS 18 -3.206 8.651 -4.294
122 HA LYS 18 HA LYS 18 -1.494 7.226 -6.000
123 HB2 LYS 18 HB3 LYS 18 -2.706 9.276 -6.655
124 HB3 LYS 18 HB2 LYS 18 -1.715 10.199 -5.533
125 HG2 LYS 18 2HG LYS 18 -0.977 10.500 -7.846
126 HG3 LYS 18 1HG LYS 18 0.265 9.721 -6.873
127 HD2 LYS 18 2HD LYS 18 0.100 8.683 -9.077
128 HD3 LYS 18 1HD LYS 18 -0.354 7.540 -7.823
129 HE2 LYS 18 2HE LYS 18 -1.862 7.357 -9.718
130 HE3 LYS 18 1HE LYS 18 -2.731 7.976 -8.321
131 HZ1 LYS 18 1HZ LYS 18 -3.297 9.142 -10.343
132 HZ2 LYS 18 2HZ LYS 18 -1.707 9.624 -10.572
133 HZ3 LYS 18 3HZ LYS 18 -2.583 10.203 -9.260
134 H ASN 19 H ASN 19 0.582 7.247 -6.063
135 HA ASN 19 HA ASN 19 2.763 7.166 -5.497
136 HB2 ASN 19 HB3 ASN 19 2.084 9.331 -3.512
137 HB3 ASN 19 HB2 ASN 19 3.693 8.629 -3.640
138 HD21 ASN 19 HD21 ASN 19 4.651 10.522 -4.292
139 HD22 ASN 19 HD22 ASN 19 4.393 11.218 -5.842
140 H TYR 20 H TYR 20 0.493 6.703 -3.034
141 HA TYR 20 HA TYR 20 2.270 4.972 -1.610
142 HB2 TYR 20 HB3 TYR 20 -0.715 5.276 -1.297
143 HB3 TYR 20 HB2 TYR 20 0.420 4.528 -0.186
144 HD1 TYR 20 1HD TYR 20 2.529 6.325 0.266
145 HD2 TYR 20 2HD TYR 20 -1.551 7.235 -0.430
146 HE1 TYR 20 1HE TYR 20 2.815 8.451 1.438
147 HE2 TYR 20 2HE TYR 20 -1.282 9.382 0.735
148 HH TYR 20 HH TYR 20 1.745 10.672 1.499
149 H THR 21 H THR 21 1.970 2.771 -1.516
150 HA THR 21 HA THR 21 0.356 1.513 -3.596
151 HB THR 21 HB THR 21 3.249 0.895 -3.209
152 HG1 THR 21 1HG THR 21 1.996 2.892 -4.674
153 HG21 THR 21 1HG2 THR 21 3.046 -0.129 -5.449
154 HG22 THR 21 2HG2 THR 21 1.343 0.325 -5.488
155 HG23 THR 21 3HG2 THR 21 1.920 -0.835 -4.292
156 H CYS 22 H CYS 22 -0.158 -0.524 -2.958
157 HA CYS 22 HA CYS 22 0.525 -1.224 -0.269
158 HB2 CYS 22 HB3 CYS 22 -1.704 -1.564 -1.182
159 HB3 CYS 22 HB2 CYS 22 -1.064 -2.861 -2.222
160 H SER 23 H SER 23 1.982 -2.425 0.287
161 HA SER 23 HA SER 23 3.893 -3.323 -1.700
162 HB2 SER 23 HB3 SER 23 4.674 -1.893 0.101
163 HB3 SER 23 HB2 SER 23 4.051 -3.016 1.300
164 HG SER 23 HG SER 23 6.330 -3.135 0.916
165 H ARG 24 H ARG 24 4.479 -5.403 -2.008
166 HA ARG 24 HA ARG 24 2.916 -7.547 -0.748
167 HB2 ARG 24 HB3 ARG 24 3.818 -7.237 -3.291
168 HB3 ARG 24 HB2 ARG 24 5.194 -8.077 -2.611
169 HG2 ARG 24 2HG ARG 24 2.353 -9.116 -2.769
170 HG3 ARG 24 1HG ARG 24 3.719 -9.618 -3.741
171 HD2 ARG 24 2HD ARG 24 4.766 -10.597 -1.780
172 HD3 ARG 24 1HD ARG 24 3.448 -9.996 -0.763
173 HE ARG 24 HE ARG 24 2.482 -11.510 -2.942
174 HH11 ARG 24 1HH1 ARG 24 3.995 -11.992 0.239
175 HH12 ARG 24 2HH1 ARG 24 3.212 -13.454 0.539
176 HH21 ARG 24 1HH2 ARG 24 1.425 -13.545 -2.535
177 HH22 ARG 24 2HH2 ARG 24 1.709 -14.372 -1.083
178 H ARG 25 H ARG 25 5.915 -6.014 -0.870
179 HA ARG 25 HA ARG 25 7.679 -7.782 0.403
180 HB2 ARG 25 HB3 ARG 25 8.371 -5.933 -0.965
181 HB3 ARG 25 HB2 ARG 25 7.533 -4.806 0.065
182 HG2 ARG 25 2HG ARG 25 9.106 -5.332 1.864
183 HG3 ARG 25 1HG ARG 25 10.011 -6.351 0.727
184 HD2 ARG 25 2HD ARG 25 10.952 -4.044 0.870
185 HD3 ARG 25 1HD ARG 25 10.368 -4.449 -0.746
186 HE ARG 25 HE ARG 25 8.662 -2.949 1.134
187 HH11 ARG 25 1HH1 ARG 25 10.422 -3.024 -1.967
188 HH12 ARG 25 2HH1 ARG 25 9.555 -1.718 -2.624
189 HH21 ARG 25 1HH2 ARG 25 7.557 -1.100 0.206
190 HH22 ARG 25 2HH2 ARG 25 7.967 -0.578 -1.386
191 H ASP 26 H ASP 26 5.975 -4.936 1.548
192 HA ASP 26 HA ASP 26 6.593 -5.534 4.347
193 HB2 ASP 26 HB3 ASP 26 5.038 -3.212 3.177
194 HB3 ASP 26 HB2 ASP 26 5.578 -3.359 4.841
195 H ARG 27 H ARG 27 4.037 -5.839 2.095
196 HA ARG 27 HA ARG 27 2.088 -6.694 2.054
197 HB2 ARG 27 HB3 ARG 27 2.616 -7.667 4.863
198 HB3 ARG 27 HB2 ARG 27 1.224 -8.072 3.853
199 HG2 ARG 27 2HG ARG 27 2.626 -9.144 2.229
200 HG3 ARG 27 1HG ARG 27 4.074 -8.658 3.110
201 HD2 ARG 27 2HD ARG 27 1.916 -10.480 4.154
202 HD3 ARG 27 1HD ARG 27 3.478 -11.000 3.523
203 HE ARG 27 HE ARG 27 4.160 -9.258 5.447
204 HH11 ARG 27 1HH1 ARG 27 1.984 -12.051 5.497
205 HH12 ARG 27 2HH1 ARG 27 2.292 -12.440 7.119
206 HH21 ARG 27 1HH2 ARG 27 4.587 -9.791 7.666
207 HH22 ARG 27 2HH2 ARG 27 3.821 -11.121 8.390
208 H TRP 28 H TRP 28 2.687 -3.964 3.420
209 HA TRP 28 HA TRP 28 -0.123 -3.474 3.611
210 HB2 TRP 28 HB3 TRP 28 0.178 -1.889 5.511
211 HB3 TRP 28 HB2 TRP 28 0.471 -3.558 5.957
212 HD1 TRP 28 HD TRP 28 2.607 -0.453 4.962
213 HE1 TRP 28 1HE TRP 28 4.729 -0.494 6.433
214 HE3 TRP 28 3HE TRP 28 1.772 -4.797 7.508
215 HZ2 TRP 28 2HZ TRP 28 5.871 -2.130 8.393
216 HZ3 TRP 28 3HZ TRP 28 3.432 -5.520 9.180
217 HH2 TRP 28 HH TRP 28 5.434 -4.211 9.602
218 H CYS 29 H CYS 29 -0.344 -0.959 3.698
219 HA CYS 29 HA CYS 29 0.774 -0.159 1.231
220 HB2 CYS 29 HB3 CYS 29 -1.564 0.233 1.972
221 HB3 CYS 29 HB2 CYS 29 -0.926 1.404 3.127
222 H LYS 30 H LYS 30 2.290 1.267 0.840
223 HA LYS 30 HA LYS 30 3.339 3.118 2.831
224 HB2 LYS 30 HB3 LYS 30 4.928 0.931 1.546
225 HB3 LYS 30 HB2 LYS 30 5.682 2.458 1.931
226 HG2 LYS 30 2HG LYS 30 5.135 2.030 4.335
227 HG3 LYS 30 1HG LYS 30 4.449 0.470 3.833
228 HD2 LYS 30 2HD LYS 30 6.506 -0.374 3.130
229 HD3 LYS 30 1HD LYS 30 7.248 1.219 3.066
230 HE2 LYS 30 2HE LYS 30 6.343 -0.054 5.639
231 HE3 LYS 30 1HE LYS 30 7.951 -0.310 4.970
232 HZ1 LYS 30 1HZ LYS 30 8.310 2.098 5.071
233 HZ2 LYS 30 2HZ LYS 30 8.001 1.484 6.577
234 HZ3 LYS 30 3HZ LYS 30 6.809 2.338 5.772
235 H TYR 31 H TYR 31 4.915 4.607 1.754
236 HA TYR 31 HA TYR 31 4.000 5.424 -0.863
237 HB2 TYR 31 HB3 TYR 31 4.763 7.020 0.948
238 HB3 TYR 31 HB2 TYR 31 6.369 6.334 0.804
239 HD1 TYR 31 1HD TYR 31 4.013 8.708 -0.505
240 HD2 TYR 31 2HD TYR 31 7.687 6.728 -1.300
241 HE1 TYR 31 1HE TYR 31 4.579 10.423 -2.149
242 HE2 TYR 31 2HE TYR 31 8.251 8.436 -2.956
243 HH TYR 31 HH TYR 31 7.095 10.036 -4.362
244 H ASP 32 H ASP 32 4.710 4.362 -2.630
245 HA ASP 32 HA ASP 32 7.472 3.392 -2.628
246 HB2 ASP 32 HB3 ASP 32 5.980 1.502 -1.863
247 HB3 ASP 32 HB2 ASP 32 5.199 1.580 -3.437
248 H LEU 33 H LEU 33 4.638 3.115 -4.616
249 HA LEU 33 HA LEU 33 6.196 4.343 -6.771
250 HB2 LEU 33 HB3 LEU 33 5.949 1.940 -7.153
251 HB3 LEU 33 HB2 LEU 33 4.211 2.078 -7.019
252 HG LEU 33 HG LEU 33 4.158 3.424 -9.079
253 HD11 LEU 33 HD11 LEU 33 7.118 2.887 -9.162
254 HD12 LEU 33 HD12 LEU 33 6.347 4.459 -8.923
255 HD13 LEU 33 HD13 LEU 33 6.160 3.606 -10.455
256 HD21 LEU 33 HD21 LEU 33 3.908 1.007 -9.201
257 HD22 LEU 33 HD22 LEU 33 5.656 0.825 -9.359
258 HD23 LEU 33 HD23 LEU 33 4.733 1.634 -10.626
259 HN1 NH2 34 HN1 NH2 34 2.816 3.364 -6.698
260 HN2 NH2 34 HN2 NH2 34 2.162 4.948 -6.897