Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627308 | 6btv RC | 30377 | 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 -10.729 4.793 -6.555
2 H2 ASP 1 2HT ASP 1 -12.335 4.915 -5.970
3 H3 ASP 1 3HT ASP 1 -11.373 3.593 -5.581
4 HA ASP 1 HA ASP 1 -10.763 6.337 -4.729
5 HB2 ASP 1 2HB ASP 1 -11.319 5.552 -2.499
6 HB3 ASP 1 1HB ASP 1 -12.717 5.300 -3.529
7 H CYS 2 H CYS 2 -9.112 6.038 -2.856
8 HA CYS 2 HA CYS 2 -7.435 3.759 -3.357
9 HB2 CYS 2 2HB CYS 2 -5.424 5.246 -3.297
10 HB3 CYS 2 1HB CYS 2 -6.375 5.355 -4.754
11 H LEU 3 H LEU 3 -5.484 4.102 -1.768
12 HA LEU 3 HA LEU 3 -6.736 4.347 0.860
13 HB2 LEU 3 2HB LEU 3 -4.427 2.680 -0.087
14 HB3 LEU 3 1HB LEU 3 -5.023 2.731 1.561
15 HG LEU 3 HG LEU 3 -6.545 1.682 -0.831
16 HD11 LEU 3 1HD1 LEU 3 -4.698 0.260 -0.203
17 HD12 LEU 3 2HD1 LEU 3 -6.239 -0.488 0.217
18 HD13 LEU 3 3HD1 LEU 3 -5.247 0.258 1.472
19 HD21 LEU 3 1HD2 LEU 3 -7.251 1.711 2.101
20 HD22 LEU 3 2HD2 LEU 3 -8.137 0.855 0.845
21 HD23 LEU 3 3HD2 LEU 3 -8.059 2.615 0.819
22 H GLY 4 H GLY 4 -5.013 4.822 2.520
23 HA2 GLY 4 2HA GLY 4 -3.284 6.793 1.367
24 HA3 GLY 4 1HA GLY 4 -3.849 6.822 3.052
25 H TRP 5 H TRP 5 -2.726 5.447 4.627
26 HA TRP 5 HA TRP 5 -0.481 4.145 3.478
27 HB2 TRP 5 2HB TRP 5 -0.086 6.302 4.789
28 HB3 TRP 5 1HB TRP 5 -0.481 5.341 6.202
29 HD1 TRP 5 HD TRP 5 1.120 2.758 5.838
30 HE1 TRP 5 1HE TRP 5 3.704 2.713 5.772
31 HE3 TRP 5 3HE TRP 5 1.952 7.600 4.507
32 HZ2 TRP 5 2HZ TRP 5 5.810 4.528 5.225
33 HZ3 TRP 5 3HZ TRP 5 4.276 8.376 4.230
34 HH2 TRP 5 HH TRP 5 6.159 6.865 4.582
35 H PHE 6 H PHE 6 -1.832 4.113 6.620
36 HA PHE 6 HA PHE 6 -1.138 1.296 6.857
37 HB2 PHE 6 2HB PHE 6 -2.574 3.042 8.851
38 HB3 PHE 6 1HB PHE 6 -1.825 1.478 9.181
39 HD1 PHE 6 1HD PHE 6 0.698 1.326 8.754
40 HD2 PHE 6 2HD PHE 6 -1.436 4.979 9.158
41 HE1 PHE 6 1HE PHE 6 2.776 2.473 9.334
42 HE2 PHE 6 2HE PHE 6 0.651 6.131 9.732
43 HZ PHE 6 HZ PHE 6 2.741 4.886 9.825
44 H LYS 7 H LYS 7 -3.383 2.191 5.109
45 HA LYS 7 HA LYS 7 -5.611 0.717 6.266
46 HB2 LYS 7 2HB LYS 7 -5.325 1.729 3.465
47 HB3 LYS 7 1HB LYS 7 -6.763 1.118 4.207
48 HG2 LYS 7 2HG LYS 7 -5.409 3.677 5.054
49 HG3 LYS 7 1HG LYS 7 -6.846 3.567 4.038
50 HD2 LYS 7 2HD LYS 7 -7.999 2.387 5.910
51 HD3 LYS 7 1HD LYS 7 -6.582 2.682 6.915
52 HE2 LYS 7 2HE LYS 7 -8.239 4.373 7.401
53 HE3 LYS 7 1HE LYS 7 -6.892 5.124 6.556
54 HZ1 LYS 7 1HZ LYS 7 -8.209 5.076 4.508
55 HZ2 LYS 7 2HZ LYS 7 -9.039 5.898 5.704
56 HZ3 LYS 7 3HZ LYS 7 -9.484 4.341 5.305
57 H SER 8 H SER 8 -6.163 -1.318 5.619
58 HA SER 8 HA SER 8 -4.083 -2.952 4.814
59 HB2 SER 8 2HB SER 8 -6.984 -3.581 4.987
60 HB3 SER 8 1HB SER 8 -5.591 -4.613 5.273
61 HG SER 8 HG SER 8 -6.759 -3.586 7.187
62 H CYS 9 H CYS 9 -3.815 -3.934 2.962
63 HA CYS 9 HA CYS 9 -5.627 -3.547 0.741
64 HB2 CYS 9 2HB CYS 9 -4.138 -1.656 0.711
65 HB3 CYS 9 1HB CYS 9 -2.761 -2.765 0.720
66 H ASP 10 H ASP 10 -4.396 -4.595 -1.126
67 HA ASP 10 HA ASP 10 -3.136 -7.082 -0.262
68 HB2 ASP 10 2HB ASP 10 -5.635 -7.381 -0.496
69 HB3 ASP 10 1HB ASP 10 -5.432 -7.010 -2.203
70 HA PRO 11 HA PRO 11 -0.519 -5.554 -3.510
71 HB2 PRO 11 2HB PRO 11 0.642 -8.010 -4.037
72 HB3 PRO 11 1HB PRO 11 1.235 -6.838 -2.834
73 HG2 PRO 11 2HG PRO 11 -0.461 -9.262 -2.518
74 HG3 PRO 11 1HG PRO 11 0.803 -8.627 -1.453
75 HD2 PRO 11 2HD PRO 11 -1.756 -8.353 -0.859
76 HD3 PRO 11 1HD PRO 11 -0.611 -7.029 -0.536
77 H LYS 12 H LYS 12 -2.575 -8.290 -3.935
78 HA LYS 12 HA LYS 12 -2.179 -8.399 -6.811
79 HB2 LYS 12 2HB LYS 12 -4.051 -9.912 -5.013
80 HB3 LYS 12 1HB LYS 12 -3.834 -10.222 -6.725
81 HG2 LYS 12 2HG LYS 12 -1.510 -10.846 -6.367
82 HG3 LYS 12 1HG LYS 12 -1.655 -10.467 -4.653
83 HD2 LYS 12 2HD LYS 12 -1.803 -12.874 -5.009
84 HD3 LYS 12 1HD LYS 12 -3.335 -12.240 -4.414
85 HE2 LYS 12 2HE LYS 12 -4.255 -12.287 -6.659
86 HE3 LYS 12 1HE LYS 12 -2.712 -12.826 -7.309
87 HZ1 LYS 12 1HZ LYS 12 -2.947 -14.866 -6.001
88 HZ2 LYS 12 2HZ LYS 12 -4.229 -14.650 -7.057
89 HZ3 LYS 12 3HZ LYS 12 -4.449 -14.327 -5.421
90 H ASN 13 H ASN 13 -4.013 -6.701 -4.652
91 HA ASN 13 HA ASN 13 -5.922 -5.867 -6.699
92 HB2 ASN 13 2HB ASN 13 -6.834 -7.681 -5.266
93 HB3 ASN 13 1HB ASN 13 -6.580 -6.666 -3.875
94 HD21 ASN 13 1HD2 ASN 13 -8.718 -6.799 -3.423
95 HD22 ASN 13 2HD2 ASN 13 -9.933 -5.852 -4.217
96 H ASP 14 H ASP 14 -3.721 -4.606 -6.098
97 HA ASP 14 HA ASP 14 -3.533 -2.874 -3.935
98 HB2 ASP 14 2HB ASP 14 -1.744 -3.286 -5.584
99 HB3 ASP 14 1HB ASP 14 -2.660 -2.329 -6.754
100 H LYS 15 H LYS 15 -4.455 -1.091 -3.389
101 HA LYS 15 HA LYS 15 -6.256 0.305 -5.235
102 HB2 LYS 15 2HB LYS 15 -6.600 -0.376 -2.329
103 HB3 LYS 15 1HB LYS 15 -7.565 0.822 -3.158
104 HG2 LYS 15 2HG LYS 15 -7.428 -2.127 -3.827
105 HG3 LYS 15 1HG LYS 15 -8.724 -1.344 -2.928
106 HD2 LYS 15 2HD LYS 15 -7.980 -0.781 -5.816
107 HD3 LYS 15 1HD LYS 15 -9.342 -1.750 -5.280
108 HE2 LYS 15 2HE LYS 15 -8.964 1.207 -4.725
109 HE3 LYS 15 1HE LYS 15 -10.025 0.512 -5.942
110 HZ1 LYS 15 1HZ LYS 15 -11.225 1.146 -3.942
111 HZ2 LYS 15 2HZ LYS 15 -10.277 0.115 -3.017
112 HZ3 LYS 15 3HZ LYS 15 -11.319 -0.524 -4.171
113 H CYS 16 H CYS 16 -3.433 0.778 -4.510
114 HA CYS 16 HA CYS 16 -3.522 2.967 -2.666
115 HB2 CYS 16 2HB CYS 16 -1.343 1.551 -4.111
116 HB3 CYS 16 1HB CYS 16 -1.055 3.062 -3.248
117 H CYS 17 H CYS 17 -2.845 5.043 -3.082
118 HA CYS 17 HA CYS 17 -3.576 5.948 -5.702
119 HB2 CYS 17 2HB CYS 17 -3.569 7.058 -3.042
120 HB3 CYS 17 1HB CYS 17 -2.667 8.097 -4.118
121 H LYS 18 H LYS 18 -2.014 8.155 -5.867
122 HA LYS 18 HA LYS 18 0.285 7.137 -7.158
123 HB2 LYS 18 2HB LYS 18 -0.908 9.166 -7.872
124 HB3 LYS 18 1HB LYS 18 -0.406 9.965 -6.385
125 HG2 LYS 18 2HG LYS 18 1.877 9.705 -6.992
126 HG3 LYS 18 1HG LYS 18 1.408 8.846 -8.462
127 HD2 LYS 18 2HD LYS 18 0.231 10.854 -9.230
128 HD3 LYS 18 1HD LYS 18 0.774 11.717 -7.780
129 HE2 LYS 18 2HE LYS 18 3.092 11.376 -8.438
130 HE3 LYS 18 1HE LYS 18 2.568 10.480 -9.861
131 HZ1 LYS 18 1HZ LYS 18 1.429 12.519 -10.597
132 HZ2 LYS 18 2HZ LYS 18 3.090 12.651 -10.518
133 HZ3 LYS 18 3HZ LYS 18 2.140 13.363 -9.309
134 H ASN 19 H ASN 19 2.288 6.887 -6.569
135 HA ASN 19 HA ASN 19 4.180 6.895 -5.420
136 HB2 ASN 19 2HB ASN 19 2.832 9.111 -3.996
137 HB3 ASN 19 1HB ASN 19 4.402 8.522 -3.410
138 HD21 ASN 19 1HD2 ASN 19 6.219 8.847 -4.793
139 HD22 ASN 19 2HD2 ASN 19 6.193 9.999 -6.064
140 H TYR 20 H TYR 20 1.539 5.557 -4.483
141 HA TYR 20 HA TYR 20 2.846 4.349 -2.189
142 HB2 TYR 20 2HB TYR 20 -0.080 4.931 -2.567
143 HB3 TYR 20 1HB TYR 20 0.555 3.855 -1.356
144 HD1 TYR 20 1HD TYR 20 1.622 4.689 0.644
145 HD2 TYR 20 2HD TYR 20 0.324 7.404 -2.361
146 HE1 TYR 20 1HE TYR 20 1.947 6.538 2.195
147 HE2 TYR 20 2HE TYR 20 0.643 9.274 -0.817
148 HH TYR 20 HH TYR 20 2.406 9.040 2.005
149 H THR 21 H THR 21 2.168 2.173 -1.872
150 HA THR 21 HA THR 21 0.860 0.627 -3.904
151 HB THR 21 HB THR 21 3.739 0.132 -3.343
152 HG1 THR 21 1HG THR 21 2.715 1.877 -5.068
153 HG21 THR 21 1HG2 THR 21 1.894 -1.142 -5.348
154 HG22 THR 21 2HG2 THR 21 2.571 -1.874 -3.891
155 HG23 THR 21 3HG2 THR 21 3.623 -1.478 -5.247
156 H CYS 22 H CYS 22 0.152 -1.215 -2.847
157 HA CYS 22 HA CYS 22 0.826 -1.156 -0.099
158 HB2 CYS 22 2HB CYS 22 -0.892 -2.886 0.122
159 HB3 CYS 22 1HB CYS 22 -1.471 -1.272 -0.308
160 H SER 23 H SER 23 1.819 -2.418 1.036
161 HA SER 23 HA SER 23 3.623 -4.286 -0.206
162 HB2 SER 23 2HB SER 23 4.430 -2.715 1.489
163 HB3 SER 23 1HB SER 23 3.246 -3.313 2.642
164 HG SER 23 HG SER 23 5.692 -4.318 1.912
165 H ARG 24 H ARG 24 3.853 -6.444 0.736
166 HA ARG 24 HA ARG 24 1.286 -7.578 1.600
167 HB2 ARG 24 2HB ARG 24 2.689 -8.337 -0.486
168 HB3 ARG 24 1HB ARG 24 3.664 -9.144 0.736
169 HG2 ARG 24 2HG ARG 24 0.705 -9.642 0.297
170 HG3 ARG 24 1HG ARG 24 1.991 -10.652 -0.353
171 HD2 ARG 24 2HD ARG 24 1.390 -10.119 2.532
172 HD3 ARG 24 1HD ARG 24 0.964 -11.584 1.647
173 HE ARG 24 HE ARG 24 3.646 -11.365 1.269
174 HH11 ARG 24 1HH1 ARG 24 1.650 -11.575 4.190
175 HH12 ARG 24 2HH1 ARG 24 2.867 -12.311 5.128
176 HH21 ARG 24 1HH2 ARG 24 5.283 -12.424 2.561
177 HH22 ARG 24 2HH2 ARG 24 4.959 -12.821 4.188
178 H ARG 25 H ARG 25 4.620 -6.982 2.361
179 HA ARG 25 HA ARG 25 4.963 -8.701 4.555
180 HB2 ARG 25 2HB ARG 25 6.735 -7.363 3.343
181 HB3 ARG 25 1HB ARG 25 6.125 -5.940 4.182
182 HG2 ARG 25 2HG ARG 25 6.529 -7.241 6.297
183 HG3 ARG 25 1HG ARG 25 7.459 -8.344 5.264
184 HD2 ARG 25 2HD ARG 25 9.012 -6.782 6.203
185 HD3 ARG 25 1HD ARG 25 8.788 -6.362 4.504
186 HE ARG 25 HE ARG 25 6.974 -4.781 5.707
187 HH11 ARG 25 1HH1 ARG 25 10.439 -5.179 6.179
188 HH12 ARG 25 2HH1 ARG 25 10.641 -3.730 7.031
189 HH21 ARG 25 1HH2 ARG 25 7.190 -2.855 6.893
190 HH22 ARG 25 2HH2 ARG 25 8.730 -2.344 7.461
191 H ASP 26 H ASP 26 4.067 -5.298 4.251
192 HA ASP 26 HA ASP 26 3.242 -5.127 7.014
193 HB2 ASP 26 2HB ASP 26 3.405 -3.098 4.796
194 HB3 ASP 26 1HB ASP 26 2.923 -2.759 6.440
195 H ARG 27 H ARG 27 1.885 -5.817 3.955
196 HA ARG 27 HA ARG 27 0.008 -5.663 2.925
197 HB2 ARG 27 2HB ARG 27 -1.251 -6.396 5.574
198 HB3 ARG 27 1HB ARG 27 -1.834 -6.646 3.914
199 HG2 ARG 27 2HG ARG 27 0.181 -8.062 3.542
200 HG3 ARG 27 1HG ARG 27 0.396 -8.040 5.292
201 HD2 ARG 27 2HD ARG 27 -0.829 -10.004 4.736
202 HD3 ARG 27 1HD ARG 27 -1.946 -8.886 5.507
203 HE ARG 27 HE ARG 27 -1.805 -9.459 2.627
204 HH11 ARG 27 1HH1 ARG 27 -3.674 -8.276 5.425
205 HH12 ARG 27 2HH1 ARG 27 -5.120 -8.093 4.557
206 HH21 ARG 27 1HH2 ARG 27 -3.807 -9.255 1.441
207 HH22 ARG 27 2HH2 ARG 27 -5.188 -8.649 2.228
208 H TRP 28 H TRP 28 0.767 -3.074 4.274
209 HA TRP 28 HA TRP 28 -1.856 -1.906 3.896
210 HB2 TRP 28 2HB TRP 28 -1.117 0.034 5.269
211 HB3 TRP 28 1HB TRP 28 -1.127 -1.476 6.122
212 HD1 TRP 28 HD TRP 28 1.811 -0.009 4.063
213 HE1 TRP 28 1HE TRP 28 3.820 0.220 5.727
214 HE3 TRP 28 3HE TRP 28 -0.552 -1.408 8.241
215 HZ2 TRP 28 2HZ TRP 28 4.251 -0.152 8.492
216 HZ3 TRP 28 3HZ TRP 28 0.624 -1.462 10.365
217 HH2 TRP 28 HH TRP 28 3.009 -0.842 10.513
218 H CYS 29 H CYS 29 -1.602 0.451 3.191
219 HA CYS 29 HA CYS 29 -0.337 0.363 0.603
220 HB2 CYS 29 2HB CYS 29 -2.627 1.360 1.161
221 HB3 CYS 29 1HB CYS 29 -1.755 2.668 1.945
222 H LYS 30 H LYS 30 1.794 0.498 0.737
223 HA LYS 30 HA LYS 30 2.982 2.136 2.788
224 HB2 LYS 30 2HB LYS 30 3.452 -0.295 2.476
225 HB3 LYS 30 1HB LYS 30 4.134 0.089 0.912
226 HG2 LYS 30 2HG LYS 30 5.901 1.277 1.886
227 HG3 LYS 30 1HG LYS 30 5.137 1.214 3.486
228 HD2 LYS 30 2HD LYS 30 5.283 -1.252 3.427
229 HD3 LYS 30 1HD LYS 30 6.131 -1.145 1.885
230 HE2 LYS 30 2HE LYS 30 7.967 -0.008 2.928
231 HE3 LYS 30 1HE LYS 30 7.091 0.086 4.454
232 HZ1 LYS 30 1HZ LYS 30 8.019 -2.374 3.102
233 HZ2 LYS 30 2HZ LYS 30 7.099 -2.357 4.516
234 HZ3 LYS 30 3HZ LYS 30 8.677 -1.699 4.497
235 H TYR 31 H TYR 31 4.412 3.765 2.244
236 HA TYR 31 HA TYR 31 3.978 5.121 -0.170
237 HB2 TYR 31 2HB TYR 31 4.791 6.127 2.020
238 HB3 TYR 31 1HB TYR 31 6.368 5.446 1.621
239 HD1 TYR 31 1HD TYR 31 3.747 7.679 0.229
240 HD2 TYR 31 2HD TYR 31 7.888 6.731 0.378
241 HE1 TYR 31 1HE TYR 31 4.234 9.678 -1.077
242 HE2 TYR 31 2HE TYR 31 8.393 8.738 -0.940
243 HH TYR 31 HH TYR 31 7.239 10.212 -2.509
244 H TYR 32 H TYR 32 4.894 4.928 -2.051
245 HA TYR 32 HA TYR 32 6.863 2.833 -2.360
246 HB2 TYR 32 2HB TYR 32 4.795 2.742 -3.660
247 HB3 TYR 32 1HB TYR 32 5.212 4.274 -4.433
248 HD1 TYR 32 1HD TYR 32 6.557 0.875 -3.834
249 HD2 TYR 32 2HD TYR 32 6.332 4.191 -6.462
250 HE1 TYR 32 1HE TYR 32 7.767 -0.413 -5.531
251 HE2 TYR 32 2HE TYR 32 7.544 2.933 -8.179
252 HH TYR 32 HH TYR 32 9.018 1.087 -8.342
253 H LEU 33 H LEU 33 8.795 3.370 -2.485
254 HA LEU 33 HA LEU 33 9.616 6.109 -2.785
255 HB2 LEU 33 2HB LEU 33 10.654 4.625 -1.124
256 HB3 LEU 33 1HB LEU 33 11.245 3.599 -2.413
257 HG LEU 33 HG LEU 33 12.661 5.448 -3.212
258 HD11 LEU 33 1HD1 LEU 33 12.995 7.414 -1.781
259 HD12 LEU 33 2HD1 LEU 33 11.665 6.878 -0.753
260 HD13 LEU 33 3HD1 LEU 33 11.359 7.335 -2.427
261 HD21 LEU 33 1HD2 LEU 33 14.273 5.363 -1.357
262 HD22 LEU 33 2HD2 LEU 33 13.577 3.782 -1.707
263 HD23 LEU 33 3HD2 LEU 33 13.018 4.701 -0.312
264 HN1 NH2 34 1H LEU 33 9.219 6.656 -4.854
265 HN2 NH2 34 2H LEU 33 9.989 5.963 -6.241
Start of MODEL 2
1 H1 ASP 1 1HT ASP 1 -11.313 8.870 -2.114
2 H2 ASP 1 2HT ASP 1 -12.044 9.548 -3.485
3 H3 ASP 1 3HT ASP 1 -10.398 9.806 -3.165
4 HA ASP 1 HA ASP 1 -11.608 7.189 -3.745
5 HB2 ASP 1 2HB ASP 1 -10.539 7.299 -5.889
6 HB3 ASP 1 1HB ASP 1 -11.375 8.831 -5.704
7 H CYS 2 H CYS 2 -9.598 5.784 -4.442
8 HA CYS 2 HA CYS 2 -7.952 4.560 -3.776
9 HB2 CYS 2 2HB CYS 2 -5.791 5.591 -3.554
10 HB3 CYS 2 1HB CYS 2 -6.626 6.080 -4.990
11 H LEU 3 H LEU 3 -5.977 4.360 -2.164
12 HA LEU 3 HA LEU 3 -7.112 4.631 0.526
13 HB2 LEU 3 2HB LEU 3 -5.349 2.450 -0.583
14 HB3 LEU 3 1HB LEU 3 -5.871 2.577 1.082
15 HG LEU 3 HG LEU 3 -7.635 2.064 -1.300
16 HD11 LEU 3 1HD1 LEU 3 -6.239 0.153 -0.711
17 HD12 LEU 3 2HD1 LEU 3 -7.925 -0.164 -0.295
18 HD13 LEU 3 3HD1 LEU 3 -6.769 0.265 0.968
19 HD21 LEU 3 1HD2 LEU 3 -8.325 2.190 1.643
20 HD22 LEU 3 2HD2 LEU 3 -9.417 1.664 0.362
21 HD23 LEU 3 3HD2 LEU 3 -8.841 3.329 0.398
22 H GLY 4 H GLY 4 -5.515 4.961 2.200
23 HA2 GLY 4 2HA GLY 4 -3.140 6.113 1.106
24 HA3 GLY 4 1HA GLY 4 -3.882 6.586 2.646
25 H TRP 5 H TRP 5 -1.894 6.155 3.659
26 HA TRP 5 HA TRP 5 -0.310 3.956 3.184
27 HB2 TRP 5 2HB TRP 5 0.460 6.134 4.229
28 HB3 TRP 5 1HB TRP 5 -0.208 5.520 5.733
29 HD1 TRP 5 HD TRP 5 0.850 2.619 5.823
30 HE1 TRP 5 1HE TRP 5 3.351 2.072 6.064
31 HE3 TRP 5 3HE TRP 5 2.764 7.017 4.123
32 HZ2 TRP 5 2HZ TRP 5 5.828 3.365 5.594
33 HZ3 TRP 5 3HZ TRP 5 5.207 7.296 4.052
34 HH2 TRP 5 HH TRP 5 6.706 5.503 4.774
35 H PHE 6 H PHE 6 -2.234 4.478 5.953
36 HA PHE 6 HA PHE 6 -1.474 1.810 6.894
37 HB2 PHE 6 2HB PHE 6 -3.060 3.999 8.224
38 HB3 PHE 6 1HB PHE 6 -2.579 2.488 9.018
39 HD1 PHE 6 1HD PHE 6 -1.620 5.796 7.916
40 HD2 PHE 6 2HD PHE 6 -0.210 2.142 9.554
41 HE1 PHE 6 1HE PHE 6 0.439 6.914 8.619
42 HE2 PHE 6 2HE PHE 6 1.855 3.252 10.255
43 HZ PHE 6 HZ PHE 6 2.176 5.644 9.791
44 H LYS 7 H LYS 7 -3.392 2.344 4.711
45 HA LYS 7 HA LYS 7 -5.721 0.941 5.777
46 HB2 LYS 7 2HB LYS 7 -5.160 1.807 2.966
47 HB3 LYS 7 1HB LYS 7 -6.661 1.189 3.576
48 HG2 LYS 7 2HG LYS 7 -5.468 3.825 4.444
49 HG3 LYS 7 1HG LYS 7 -6.780 3.636 3.280
50 HD2 LYS 7 2HD LYS 7 -8.095 2.486 5.041
51 HD3 LYS 7 1HD LYS 7 -6.809 2.842 6.188
52 HE2 LYS 7 2HE LYS 7 -8.402 4.903 4.655
53 HE3 LYS 7 1HE LYS 7 -8.690 4.443 6.326
54 HZ1 LYS 7 1HZ LYS 7 -7.410 6.479 6.166
55 HZ2 LYS 7 2HZ LYS 7 -6.198 5.719 5.300
56 HZ3 LYS 7 3HZ LYS 7 -6.501 5.276 6.899
57 H SER 8 H SER 8 -6.142 -1.177 5.133
58 HA SER 8 HA SER 8 -3.888 -2.693 4.511
59 HB2 SER 8 2HB SER 8 -6.752 -3.491 4.543
60 HB3 SER 8 1HB SER 8 -5.322 -4.455 4.838
61 HG SER 8 HG SER 8 -4.881 -3.077 6.669
62 H CYS 9 H CYS 9 -3.461 -3.629 2.674
63 HA CYS 9 HA CYS 9 -5.268 -3.566 0.425
64 HB2 CYS 9 2HB CYS 9 -4.137 -1.537 0.151
65 HB3 CYS 9 1HB CYS 9 -2.570 -2.320 0.461
66 H ASP 10 H ASP 10 -4.136 -4.693 -1.325
67 HA ASP 10 HA ASP 10 -2.458 -6.864 -0.334
68 HB2 ASP 10 2HB ASP 10 -4.837 -7.551 -0.167
69 HB3 ASP 10 1HB ASP 10 -5.007 -7.282 -1.890
70 HA PRO 11 HA PRO 11 -0.372 -5.821 -4.138
71 HB2 PRO 11 2HB PRO 11 0.594 -8.427 -4.573
72 HB3 PRO 11 1HB PRO 11 1.457 -7.108 -3.767
73 HG2 PRO 11 2HG PRO 11 -0.053 -9.395 -2.596
74 HG3 PRO 11 1HG PRO 11 1.341 -8.505 -1.956
75 HD2 PRO 11 2HD PRO 11 -1.132 -8.219 -0.993
76 HD3 PRO 11 1HD PRO 11 0.016 -6.863 -1.048
77 H LYS 12 H LYS 12 -2.521 -8.584 -3.974
78 HA LYS 12 HA LYS 12 -2.661 -8.713 -6.880
79 HB2 LYS 12 2HB LYS 12 -3.961 -10.405 -4.759
80 HB3 LYS 12 1HB LYS 12 -4.101 -10.681 -6.487
81 HG2 LYS 12 2HG LYS 12 -1.705 -11.073 -6.634
82 HG3 LYS 12 1HG LYS 12 -1.536 -10.754 -4.910
83 HD2 LYS 12 2HD LYS 12 -3.057 -12.657 -4.454
84 HD3 LYS 12 1HD LYS 12 -3.101 -12.994 -6.185
85 HE2 LYS 12 2HE LYS 12 -0.694 -13.351 -6.188
86 HE3 LYS 12 1HE LYS 12 -0.626 -12.986 -4.467
87 HZ1 LYS 12 1HZ LYS 12 -2.099 -15.271 -5.675
88 HZ2 LYS 12 2HZ LYS 12 -2.006 -14.898 -4.029
89 HZ3 LYS 12 3HZ LYS 12 -0.623 -15.344 -4.854
90 H ASN 13 H ASN 13 -4.065 -6.975 -4.487
91 HA ASN 13 HA ASN 13 -6.432 -6.430 -6.118
92 HB2 ASN 13 2HB ASN 13 -6.904 -7.981 -4.150
93 HB3 ASN 13 1HB ASN 13 -6.469 -6.646 -3.108
94 HD21 ASN 13 1HD2 ASN 13 -8.280 -6.291 -6.131
95 HD22 ASN 13 2HD2 ASN 13 -9.723 -5.736 -5.378
96 H ASP 14 H ASP 14 -4.149 -5.130 -6.206
97 HA ASP 14 HA ASP 14 -3.619 -3.108 -4.391
98 HB2 ASP 14 2HB ASP 14 -1.998 -3.522 -6.017
99 HB3 ASP 14 1HB ASP 14 -3.128 -3.164 -7.337
100 H LYS 15 H LYS 15 -4.502 -1.451 -3.801
101 HA LYS 15 HA LYS 15 -6.444 -0.044 -5.451
102 HB2 LYS 15 2HB LYS 15 -6.713 -1.044 -2.649
103 HB3 LYS 15 1HB LYS 15 -7.722 0.234 -3.290
104 HG2 LYS 15 2HG LYS 15 -8.568 -1.308 -5.018
105 HG3 LYS 15 1HG LYS 15 -7.502 -2.565 -4.407
106 HD2 LYS 15 2HD LYS 15 -9.697 -1.270 -2.798
107 HD3 LYS 15 1HD LYS 15 -9.870 -2.794 -3.663
108 HE2 LYS 15 2HE LYS 15 -8.064 -3.759 -2.312
109 HE3 LYS 15 1HE LYS 15 -7.899 -2.236 -1.442
110 HZ1 LYS 15 1HZ LYS 15 -9.234 -3.883 -0.244
111 HZ2 LYS 15 2HZ LYS 15 -10.361 -3.893 -1.490
112 HZ3 LYS 15 3HZ LYS 15 -10.126 -2.501 -0.590
113 H CYS 16 H CYS 16 -3.533 0.284 -4.428
114 HA CYS 16 HA CYS 16 -3.591 2.379 -2.550
115 HB2 CYS 16 2HB CYS 16 -1.458 1.168 -4.245
116 HB3 CYS 16 1HB CYS 16 -1.139 2.701 -3.433
117 H CYS 17 H CYS 17 -2.604 4.495 -2.893
118 HA CYS 17 HA CYS 17 -3.911 5.738 -5.170
119 HB2 CYS 17 2HB CYS 17 -4.058 6.451 -2.636
120 HB3 CYS 17 1HB CYS 17 -2.533 7.246 -2.989
121 H LYS 18 H LYS 18 -2.343 7.987 -5.248
122 HA LYS 18 HA LYS 18 -0.173 7.060 -6.893
123 HB2 LYS 18 2HB LYS 18 -1.591 9.002 -7.524
124 HB3 LYS 18 1HB LYS 18 -0.969 9.867 -6.124
125 HG2 LYS 18 2HG LYS 18 1.238 9.730 -6.972
126 HG3 LYS 18 1HG LYS 18 0.672 8.783 -8.356
127 HD2 LYS 18 2HD LYS 18 -0.660 10.666 -9.121
128 HD3 LYS 18 1HD LYS 18 -0.152 11.625 -7.730
129 HE2 LYS 18 2HE LYS 18 1.676 10.554 -9.896
130 HE3 LYS 18 1HE LYS 18 1.111 12.215 -9.770
131 HZ1 LYS 18 1HZ LYS 18 3.398 11.826 -8.857
132 HZ2 LYS 18 2HZ LYS 18 2.726 10.910 -7.616
133 HZ3 LYS 18 3HZ LYS 18 2.327 12.522 -7.783
134 H ASN 19 H ASN 19 1.842 6.938 -6.498
135 HA ASN 19 HA ASN 19 3.843 7.011 -5.501
136 HB2 ASN 19 2HB ASN 19 2.521 9.117 -3.884
137 HB3 ASN 19 1HB ASN 19 4.207 8.640 -3.574
138 HD21 ASN 19 1HD2 ASN 19 5.748 9.148 -5.269
139 HD22 ASN 19 2HD2 ASN 19 5.384 10.353 -6.445
140 H TYR 20 H TYR 20 1.438 5.498 -4.504
141 HA TYR 20 HA TYR 20 2.752 4.416 -2.133
142 HB2 TYR 20 2HB TYR 20 -0.177 4.753 -2.665
143 HB3 TYR 20 1HB TYR 20 0.464 3.668 -1.470
144 HD1 TYR 20 1HD TYR 20 0.109 7.262 -2.314
145 HD2 TYR 20 2HD TYR 20 1.248 4.435 0.649
146 HE1 TYR 20 1HE TYR 20 0.131 9.041 -0.629
147 HE2 TYR 20 2HE TYR 20 1.289 6.187 2.332
148 HH TYR 20 HH TYR 20 1.454 8.631 2.527
149 H THR 21 H THR 21 2.232 2.177 -1.775
150 HA THR 21 HA THR 21 1.319 0.497 -3.900
151 HB THR 21 HB THR 21 4.160 0.336 -3.055
152 HG1 THR 21 1HG THR 21 3.057 1.930 -4.916
153 HG21 THR 21 1HG2 THR 21 3.248 -1.783 -3.764
154 HG22 THR 21 2HG2 THR 21 4.456 -1.238 -4.928
155 HG23 THR 21 3HG2 THR 21 2.744 -1.078 -5.307
156 H CYS 22 H CYS 22 0.695 -1.390 -2.833
157 HA CYS 22 HA CYS 22 1.148 -1.240 -0.048
158 HB2 CYS 22 2HB CYS 22 -0.595 -2.998 0.074
159 HB3 CYS 22 1HB CYS 22 -1.100 -1.381 -0.435
160 H SER 23 H SER 23 1.915 -2.563 1.261
161 HA SER 23 HA SER 23 4.018 -4.296 0.363
162 HB2 SER 23 2HB SER 23 4.350 -2.776 2.260
163 HB3 SER 23 1HB SER 23 2.963 -3.460 3.091
164 HG SER 23 HG SER 23 5.189 -4.161 3.735
165 H ARG 24 H ARG 24 4.141 -6.507 1.103
166 HA ARG 24 HA ARG 24 1.523 -7.816 1.468
167 HB2 ARG 24 2HB ARG 24 3.414 -8.353 -0.306
168 HB3 ARG 24 1HB ARG 24 4.041 -9.290 1.056
169 HG2 ARG 24 2HG ARG 24 1.395 -9.660 -0.376
170 HG3 ARG 24 1HG ARG 24 2.774 -10.751 -0.406
171 HD2 ARG 24 2HD ARG 24 1.049 -10.093 1.973
172 HD3 ARG 24 1HD ARG 24 0.948 -11.558 0.999
173 HE ARG 24 HE ARG 24 3.549 -11.149 2.089
174 HH11 ARG 24 1HH1 ARG 24 0.337 -12.472 2.760
175 HH12 ARG 24 2HH1 ARG 24 0.843 -13.398 4.092
176 HH21 ARG 24 1HH2 ARG 24 4.239 -12.365 3.893
177 HH22 ARG 24 2HH2 ARG 24 3.154 -13.340 4.781
178 H ARG 25 H ARG 25 4.742 -7.288 2.679
179 HA ARG 25 HA ARG 25 4.861 -9.078 4.807
180 HB2 ARG 25 2HB ARG 25 6.722 -7.740 3.859
181 HB3 ARG 25 1HB ARG 25 5.987 -6.299 4.537
182 HG2 ARG 25 2HG ARG 25 6.242 -7.269 6.759
183 HG3 ARG 25 1HG ARG 25 7.128 -8.617 6.007
184 HD2 ARG 25 2HD ARG 25 8.681 -6.913 6.869
185 HD3 ARG 25 1HD ARG 25 8.765 -7.039 5.112
186 HE ARG 25 HE ARG 25 6.907 -5.027 5.981
187 HH11 ARG 25 1HH1 ARG 25 10.309 -5.565 5.221
188 HH12 ARG 25 2HH1 ARG 25 10.652 -3.911 5.017
189 HH21 ARG 25 1HH2 ARG 25 7.304 -2.905 5.672
190 HH22 ARG 25 2HH2 ARG 25 8.870 -2.301 5.312
191 H ASP 26 H ASP 26 3.946 -5.697 4.615
192 HA ASP 26 HA ASP 26 2.834 -5.687 7.293
193 HB2 ASP 26 2HB ASP 26 3.109 -3.495 5.264
194 HB3 ASP 26 1HB ASP 26 2.677 -3.340 6.946
195 H ARG 27 H ARG 27 1.855 -5.807 3.936
196 HA ARG 27 HA ARG 27 0.079 -5.453 2.787
197 HB2 ARG 27 2HB ARG 27 -1.433 -6.501 5.175
198 HB3 ARG 27 1HB ARG 27 -1.871 -6.490 3.451
199 HG2 ARG 27 2HG ARG 27 -0.016 -7.935 2.954
200 HG3 ARG 27 1HG ARG 27 0.360 -8.029 4.674
201 HD2 ARG 27 2HD ARG 27 -0.871 -9.952 4.114
202 HD3 ARG 27 1HD ARG 27 -1.946 -8.888 5.022
203 HE ARG 27 HE ARG 27 -1.967 -9.069 2.089
204 HH11 ARG 27 1HH1 ARG 27 -3.713 -8.839 5.174
205 HH12 ARG 27 2HH1 ARG 27 -5.244 -9.055 4.488
206 HH21 ARG 27 1HH2 ARG 27 -4.121 -9.437 1.133
207 HH22 ARG 27 2HH2 ARG 27 -5.479 -9.437 2.149
208 H TRP 28 H TRP 28 0.882 -3.184 4.515
209 HA TRP 28 HA TRP 28 -1.639 -1.757 4.218
210 HB2 TRP 28 2HB TRP 28 -0.539 0.163 5.349
211 HB3 TRP 28 1HB TRP 28 -0.655 -1.262 6.353
212 HD1 TRP 28 HD TRP 28 2.333 -1.155 3.954
213 HE1 TRP 28 1HE TRP 28 4.484 -0.737 5.387
214 HE3 TRP 28 3HE TRP 28 0.139 0.003 8.342
215 HZ2 TRP 28 2HZ TRP 28 5.108 0.026 8.017
216 HZ3 TRP 28 3HZ TRP 28 1.561 0.586 10.309
217 HH2 TRP 28 HH TRP 28 3.990 0.593 10.126
218 H CYS 29 H CYS 29 -1.345 0.482 3.299
219 HA CYS 29 HA CYS 29 -0.091 0.115 0.702
220 HB2 CYS 29 2HB CYS 29 -2.433 0.975 0.973
221 HB3 CYS 29 1HB CYS 29 -1.766 2.386 1.781
222 H LYS 30 H LYS 30 2.001 0.343 0.871
223 HA LYS 30 HA LYS 30 3.185 2.050 2.844
224 HB2 LYS 30 2HB LYS 30 3.884 -0.289 2.357
225 HB3 LYS 30 1HB LYS 30 4.302 0.203 0.733
226 HG2 LYS 30 2HG LYS 30 6.003 1.699 1.664
227 HG3 LYS 30 1HG LYS 30 5.605 1.092 3.282
228 HD2 LYS 30 2HD LYS 30 6.136 -1.198 2.535
229 HD3 LYS 30 1HD LYS 30 6.582 -0.569 0.950
230 HE2 LYS 30 2HE LYS 30 8.346 0.783 2.036
231 HE3 LYS 30 1HE LYS 30 7.916 0.043 3.577
232 HZ1 LYS 30 1HZ LYS 30 8.480 -2.155 2.567
233 HZ2 LYS 30 2HZ LYS 30 9.777 -1.085 2.637
234 HZ3 LYS 30 3HZ LYS 30 9.000 -1.329 1.185
235 H TYR 31 H TYR 31 4.621 3.738 2.194
236 HA TYR 31 HA TYR 31 3.860 5.110 -0.166
237 HB2 TYR 31 2HB TYR 31 4.767 6.188 1.950
238 HB3 TYR 31 1HB TYR 31 6.343 5.550 1.477
239 HD1 TYR 31 1HD TYR 31 3.634 7.833 0.411
240 HD2 TYR 31 2HD TYR 31 7.697 6.689 -0.064
241 HE1 TYR 31 1HE TYR 31 4.015 9.809 -0.975
242 HE2 TYR 31 2HE TYR 31 8.099 8.652 -1.454
243 HH TYR 31 HH TYR 31 6.788 10.137 -2.871
244 H TYR 32 H TYR 32 4.916 5.187 -2.092
245 HA TYR 32 HA TYR 32 6.667 2.966 -2.594
246 HB2 TYR 32 2HB TYR 32 4.875 3.295 -4.160
247 HB3 TYR 32 1HB TYR 32 5.365 4.975 -4.376
248 HD1 TYR 32 1HD TYR 32 6.926 1.610 -4.655
249 HD2 TYR 32 2HD TYR 32 6.411 5.462 -6.334
250 HE1 TYR 32 1HE TYR 32 8.337 0.950 -6.562
251 HE2 TYR 32 2HE TYR 32 7.808 4.842 -8.249
252 HH TYR 32 HH TYR 32 9.540 3.249 -8.774
253 H LEU 33 H LEU 33 8.639 3.174 -2.347
254 HA LEU 33 HA LEU 33 9.996 5.739 -2.621
255 HB2 LEU 33 2HB LEU 33 11.035 3.063 -1.652
256 HB3 LEU 33 1HB LEU 33 12.050 4.467 -1.855
257 HG LEU 33 HG LEU 33 11.656 4.273 0.433
258 HD11 LEU 33 1HD1 LEU 33 10.421 6.268 1.070
259 HD12 LEU 33 2HD1 LEU 33 9.794 6.387 -0.575
260 HD13 LEU 33 3HD1 LEU 33 11.525 6.533 -0.279
261 HD21 LEU 33 1HD2 LEU 33 9.797 2.719 0.434
262 HD22 LEU 33 2HD2 LEU 33 8.707 3.987 -0.122
263 HD23 LEU 33 3HD2 LEU 33 9.438 4.095 1.480
264 HN1 NH2 34 1H LEU 33 9.934 6.034 -4.768
265 HN2 NH2 34 2H LEU 33 10.755 5.040 -5.920
Start of MODEL 3
1 H1 ASP 1 1HT ASP 1 -10.275 4.450 -7.197
2 H2 ASP 1 2HT ASP 1 -11.930 4.542 -6.872
3 H3 ASP 1 3HT ASP 1 -10.996 3.257 -6.271
4 HA ASP 1 HA ASP 1 -10.616 6.082 -5.497
5 HB2 ASP 1 2HB ASP 1 -11.754 3.740 -3.943
6 HB3 ASP 1 1HB ASP 1 -11.398 5.320 -3.270
7 H CYS 2 H CYS 2 -8.986 6.269 -3.785
8 HA CYS 2 HA CYS 2 -7.377 3.871 -3.714
9 HB2 CYS 2 2HB CYS 2 -5.338 5.149 -3.699
10 HB3 CYS 2 1HB CYS 2 -6.192 5.295 -5.209
11 H LEU 3 H LEU 3 -5.619 4.092 -2.075
12 HA LEU 3 HA LEU 3 -6.956 4.733 0.457
13 HB2 LEU 3 2HB LEU 3 -5.111 2.496 -0.246
14 HB3 LEU 3 1HB LEU 3 -5.738 2.801 1.361
15 HG LEU 3 HG LEU 3 -7.340 1.949 -1.058
16 HD11 LEU 3 1HD1 LEU 3 -5.983 0.170 -0.123
17 HD12 LEU 3 2HD1 LEU 3 -7.692 -0.111 0.204
18 HD13 LEU 3 3HD1 LEU 3 -6.639 0.490 1.482
19 HD21 LEU 3 1HD2 LEU 3 -9.232 1.760 0.502
20 HD22 LEU 3 2HD2 LEU 3 -8.669 3.422 0.351
21 HD23 LEU 3 3HD2 LEU 3 -8.240 2.471 1.776
22 H GLY 4 H GLY 4 -5.493 5.249 2.216
23 HA2 GLY 4 2HA GLY 4 -3.035 6.227 1.195
24 HA3 GLY 4 1HA GLY 4 -3.815 6.790 2.693
25 H TRP 5 H TRP 5 -1.855 6.298 3.758
26 HA TRP 5 HA TRP 5 -0.383 4.013 3.394
27 HB2 TRP 5 2HB TRP 5 0.424 6.196 4.391
28 HB3 TRP 5 1HB TRP 5 -0.254 5.622 5.908
29 HD1 TRP 5 HD TRP 5 0.733 2.677 6.014
30 HE1 TRP 5 1HE TRP 5 3.211 2.087 6.185
31 HE3 TRP 5 3HE TRP 5 2.666 7.047 4.290
32 HZ2 TRP 5 2HZ TRP 5 5.679 3.337 5.671
33 HZ3 TRP 5 3HZ TRP 5 5.100 7.288 4.171
34 HH2 TRP 5 HH TRP 5 6.581 5.468 4.846
35 H PHE 6 H PHE 6 -2.046 4.734 6.282
36 HA PHE 6 HA PHE 6 -1.716 1.972 7.144
37 HB2 PHE 6 2HB PHE 6 -2.796 4.426 8.493
38 HB3 PHE 6 1HB PHE 6 -2.853 2.841 9.286
39 HD1 PHE 6 1HD PHE 6 -0.919 1.967 10.304
40 HD2 PHE 6 2HD PHE 6 -0.687 5.504 7.963
41 HE1 PHE 6 1HE PHE 6 1.343 2.386 11.157
42 HE2 PHE 6 2HE PHE 6 1.573 5.920 8.805
43 HZ PHE 6 HZ PHE 6 2.582 4.364 10.405
44 H LYS 7 H LYS 7 -3.304 2.148 4.997
45 HA LYS 7 HA LYS 7 -5.837 1.152 6.077
46 HB2 LYS 7 2HB LYS 7 -5.160 2.067 3.291
47 HB3 LYS 7 1HB LYS 7 -6.680 1.380 3.782
48 HG2 LYS 7 2HG LYS 7 -5.596 3.968 4.891
49 HG3 LYS 7 1HG LYS 7 -6.769 3.862 3.574
50 HD2 LYS 7 2HD LYS 7 -8.335 2.714 5.060
51 HD3 LYS 7 1HD LYS 7 -7.165 2.786 6.372
52 HE2 LYS 7 2HE LYS 7 -8.865 4.531 6.604
53 HE3 LYS 7 1HE LYS 7 -7.270 5.225 6.353
54 HZ1 LYS 7 1HZ LYS 7 -9.331 4.915 4.227
55 HZ2 LYS 7 2HZ LYS 7 -7.834 5.675 4.067
56 HZ3 LYS 7 3HZ LYS 7 -8.999 6.331 5.058
57 H SER 8 H SER 8 -6.459 -0.920 5.219
58 HA SER 8 HA SER 8 -4.205 -2.565 4.821
59 HB2 SER 8 2HB SER 8 -7.041 -3.322 4.619
60 HB3 SER 8 1HB SER 8 -5.667 -4.207 5.246
61 HG SER 8 HG SER 8 -5.635 -2.298 6.862
62 H CYS 9 H CYS 9 -3.630 -3.272 2.918
63 HA CYS 9 HA CYS 9 -5.471 -3.220 0.675
64 HB2 CYS 9 2HB CYS 9 -4.335 -1.179 0.484
65 HB3 CYS 9 1HB CYS 9 -2.761 -1.982 0.692
66 H ASP 10 H ASP 10 -4.379 -4.290 -1.119
67 HA ASP 10 HA ASP 10 -2.639 -6.427 -0.171
68 HB2 ASP 10 2HB ASP 10 -5.070 -7.179 -0.141
69 HB3 ASP 10 1HB ASP 10 -5.026 -7.044 -1.892
70 HA PRO 11 HA PRO 11 -0.362 -5.225 -3.786
71 HB2 PRO 11 2HB PRO 11 0.763 -7.764 -4.179
72 HB3 PRO 11 1HB PRO 11 1.460 -6.470 -3.193
73 HG2 PRO 11 2HG PRO 11 -0.216 -8.817 -2.328
74 HG3 PRO 11 1HG PRO 11 1.147 -8.078 -1.501
75 HD2 PRO 11 2HD PRO 11 -1.264 -7.664 -0.692
76 HD3 PRO 11 1HD PRO 11 -0.116 -6.304 -0.736
77 H LYS 12 H LYS 12 -2.363 -8.047 -3.758
78 HA LYS 12 HA LYS 12 -2.333 -8.432 -6.627
79 HB2 LYS 12 2HB LYS 12 -3.905 -9.703 -4.410
80 HB3 LYS 12 1HB LYS 12 -3.979 -10.189 -6.090
81 HG2 LYS 12 2HG LYS 12 -1.797 -11.053 -6.063
82 HG3 LYS 12 1HG LYS 12 -1.386 -10.198 -4.574
83 HD2 LYS 12 2HD LYS 12 -1.773 -12.639 -4.254
84 HD3 LYS 12 1HD LYS 12 -2.833 -11.612 -3.298
85 HE2 LYS 12 2HE LYS 12 -4.589 -11.929 -5.044
86 HE3 LYS 12 1HE LYS 12 -3.512 -13.068 -5.854
87 HZ1 LYS 12 1HZ LYS 12 -5.134 -14.182 -4.426
88 HZ2 LYS 12 2HZ LYS 12 -4.537 -13.346 -3.089
89 HZ3 LYS 12 3HZ LYS 12 -3.564 -14.448 -3.879
90 H ASN 13 H ASN 13 -3.964 -6.512 -4.450
91 HA ASN 13 HA ASN 13 -6.277 -6.158 -6.247
92 HB2 ASN 13 2HB ASN 13 -6.644 -7.829 -4.317
93 HB3 ASN 13 1HB ASN 13 -6.541 -6.442 -3.251
94 HD21 ASN 13 1HD2 ASN 13 -8.620 -6.790 -2.528
95 HD22 ASN 13 2HD2 ASN 13 -10.024 -6.464 -3.476
96 H ASP 14 H ASP 14 -4.096 -4.697 -6.049
97 HA ASP 14 HA ASP 14 -3.640 -2.720 -4.200
98 HB2 ASP 14 2HB ASP 14 -2.035 -3.013 -5.857
99 HB3 ASP 14 1HB ASP 14 -3.192 -2.694 -7.152
100 H LYS 15 H LYS 15 -4.396 -0.902 -3.597
101 HA LYS 15 HA LYS 15 -6.328 0.558 -5.211
102 HB2 LYS 15 2HB LYS 15 -6.502 -0.181 -2.314
103 HB3 LYS 15 1HB LYS 15 -7.473 1.055 -3.082
104 HG2 LYS 15 2HG LYS 15 -8.473 -0.637 -4.526
105 HG3 LYS 15 1HG LYS 15 -7.443 -1.867 -3.789
106 HD2 LYS 15 2HD LYS 15 -8.482 -1.390 -1.607
107 HD3 LYS 15 1HD LYS 15 -9.550 -0.223 -2.391
108 HE2 LYS 15 2HE LYS 15 -10.658 -2.375 -2.077
109 HE3 LYS 15 1HE LYS 15 -10.467 -1.988 -3.786
110 HZ1 LYS 15 1HZ LYS 15 -8.526 -3.435 -3.858
111 HZ2 LYS 15 2HZ LYS 15 -9.901 -4.259 -3.381
112 HZ3 LYS 15 3HZ LYS 15 -8.736 -3.826 -2.225
113 H CYS 16 H CYS 16 -3.323 0.784 -4.300
114 HA CYS 16 HA CYS 16 -3.396 2.926 -2.440
115 HB2 CYS 16 2HB CYS 16 -1.230 1.617 -3.981
116 HB3 CYS 16 1HB CYS 16 -0.943 3.142 -3.137
117 H CYS 17 H CYS 17 -2.879 5.109 -2.650
118 HA CYS 17 HA CYS 17 -3.608 6.305 -5.037
119 HB2 CYS 17 2HB CYS 17 -2.331 7.299 -2.485
120 HB3 CYS 17 1HB CYS 17 -2.835 8.345 -3.788
121 H LYS 18 H LYS 18 -1.930 8.150 -5.635
122 HA LYS 18 HA LYS 18 0.224 6.811 -6.858
123 HB2 LYS 18 2HB LYS 18 -0.924 8.667 -7.952
124 HB3 LYS 18 1HB LYS 18 -0.480 9.733 -6.634
125 HG2 LYS 18 2HG LYS 18 0.921 10.167 -8.500
126 HG3 LYS 18 1HG LYS 18 1.824 9.443 -7.153
127 HD2 LYS 18 2HD LYS 18 2.579 8.439 -9.250
128 HD3 LYS 18 1HD LYS 18 1.727 7.238 -8.289
129 HE2 LYS 18 2HE LYS 18 1.045 7.008 -10.578
130 HE3 LYS 18 1HE LYS 18 -0.312 7.684 -9.685
131 HZ1 LYS 18 1HZ LYS 18 1.599 9.214 -11.365
132 HZ2 LYS 18 2HZ LYS 18 0.324 9.896 -10.536
133 HZ3 LYS 18 3HZ LYS 18 0.024 8.818 -11.799
134 H ASN 19 H ASN 19 2.346 6.814 -6.317
135 HA ASN 19 HA ASN 19 4.306 7.164 -5.272
136 HB2 ASN 19 2HB ASN 19 3.750 9.542 -5.208
137 HB3 ASN 19 1HB ASN 19 2.847 9.330 -3.730
138 HD21 ASN 19 1HD2 ASN 19 3.907 9.299 -1.819
139 HD22 ASN 19 2HD2 ASN 19 5.587 9.599 -1.626
140 H TYR 20 H TYR 20 1.766 5.825 -4.240
141 HA TYR 20 HA TYR 20 3.005 4.657 -1.843
142 HB2 TYR 20 2HB TYR 20 0.106 4.946 -2.573
143 HB3 TYR 20 1HB TYR 20 0.698 3.953 -1.273
144 HD1 TYR 20 1HD TYR 20 0.041 7.371 -2.379
145 HD2 TYR 20 2HD TYR 20 1.457 4.957 0.820
146 HE1 TYR 20 1HE TYR 20 -0.239 9.253 -0.846
147 HE2 TYR 20 2HE TYR 20 1.203 6.831 2.365
148 HH TYR 20 HH TYR 20 1.045 9.281 2.331
149 H THR 21 H THR 21 2.424 2.372 -1.607
150 HA THR 21 HA THR 21 1.294 0.845 -3.774
151 HB THR 21 HB THR 21 4.091 0.233 -2.944
152 HG1 THR 21 1HG THR 21 3.247 2.103 -4.705
153 HG21 THR 21 1HG2 THR 21 2.455 -0.719 -5.291
154 HG22 THR 21 2HG2 THR 21 2.856 -1.624 -3.830
155 HG23 THR 21 3HG2 THR 21 4.126 -1.194 -4.976
156 H CYS 22 H CYS 22 0.523 -1.119 -2.767
157 HA CYS 22 HA CYS 22 1.027 -1.005 0.007
158 HB2 CYS 22 2HB CYS 22 -0.820 -2.634 0.177
159 HB3 CYS 22 1HB CYS 22 -1.262 -0.989 -0.298
160 H SER 23 H SER 23 1.864 -2.321 1.210
161 HA SER 23 HA SER 23 3.783 -4.121 0.141
162 HB2 SER 23 2HB SER 23 4.292 -2.658 2.009
163 HB3 SER 23 1HB SER 23 2.964 -3.328 2.941
164 HG SER 23 HG SER 23 5.215 -4.095 3.383
165 H ARG 24 H ARG 24 3.969 -6.304 0.925
166 HA ARG 24 HA ARG 24 1.395 -7.666 1.349
167 HB2 ARG 24 2HB ARG 24 2.784 -8.289 -0.616
168 HB3 ARG 24 1HB ARG 24 4.040 -8.719 0.519
169 HG2 ARG 24 2HG ARG 24 2.838 -10.704 -0.321
170 HG3 ARG 24 1HG ARG 24 2.762 -10.524 1.425
171 HD2 ARG 24 2HD ARG 24 0.468 -9.712 1.288
172 HD3 ARG 24 1HD ARG 24 0.541 -9.688 -0.470
173 HE ARG 24 HE ARG 24 1.192 -12.228 0.600
174 HH11 ARG 24 1HH1 ARG 24 -1.803 -10.294 -0.160
175 HH12 ARG 24 2HH1 ARG 24 -2.624 -11.678 -0.594
176 HH21 ARG 24 1HH2 ARG 24 -0.076 -14.012 -0.030
177 HH22 ARG 24 2HH2 ARG 24 -1.698 -13.813 -0.523
178 H ARG 25 H ARG 25 4.642 -7.185 2.503
179 HA ARG 25 HA ARG 25 4.678 -9.037 4.622
180 HB2 ARG 25 2HB ARG 25 6.645 -7.937 3.656
181 HB3 ARG 25 1HB ARG 25 6.043 -6.388 4.213
182 HG2 ARG 25 2HG ARG 25 6.172 -7.226 6.509
183 HG3 ARG 25 1HG ARG 25 6.968 -8.676 5.859
184 HD2 ARG 25 2HD ARG 25 8.612 -7.022 6.660
185 HD3 ARG 25 1HD ARG 25 8.741 -7.299 4.922
186 HE ARG 25 HE ARG 25 7.008 -5.112 5.436
187 HH11 ARG 25 1HH1 ARG 25 10.449 -5.867 5.586
188 HH12 ARG 25 2HH1 ARG 25 10.943 -4.305 5.143
189 HH21 ARG 25 1HH2 ARG 25 7.597 -3.070 4.917
190 HH22 ARG 25 2HH2 ARG 25 9.260 -2.620 4.722
191 H ASP 26 H ASP 26 4.059 -5.608 4.325
192 HA ASP 26 HA ASP 26 3.118 -5.423 7.049
193 HB2 ASP 26 2HB ASP 26 3.297 -3.223 4.993
194 HB3 ASP 26 1HB ASP 26 3.192 -3.114 6.724
195 H ARG 27 H ARG 27 1.881 -5.610 3.752
196 HA ARG 27 HA ARG 27 0.030 -5.162 2.755
197 HB2 ARG 27 2HB ARG 27 -1.122 -6.445 5.234
198 HB3 ARG 27 1HB ARG 27 -1.943 -6.108 3.701
199 HG2 ARG 27 2HG ARG 27 -0.530 -7.571 2.504
200 HG3 ARG 27 1HG ARG 27 0.458 -7.865 3.938
201 HD2 ARG 27 2HD ARG 27 -1.459 -8.858 5.058
202 HD3 ARG 27 1HD ARG 27 -2.460 -8.524 3.661
203 HE ARG 27 HE ARG 27 -0.209 -10.106 2.974
204 HH11 ARG 27 1HH1 ARG 27 -3.531 -10.218 4.240
205 HH12 ARG 27 2HH1 ARG 27 -3.696 -11.902 4.120
206 HH21 ARG 27 1HH2 ARG 27 -0.441 -12.457 2.843
207 HH22 ARG 27 2HH2 ARG 27 -1.887 -13.223 3.321
208 H TRP 28 H TRP 28 0.921 -2.931 4.483
209 HA TRP 28 HA TRP 28 -1.621 -1.489 4.313
210 HB2 TRP 28 2HB TRP 28 -0.489 0.380 5.495
211 HB3 TRP 28 1HB TRP 28 -0.572 -1.081 6.451
212 HD1 TRP 28 HD TRP 28 2.306 -0.672 3.927
213 HE1 TRP 28 1HE TRP 28 4.507 -0.371 5.298
214 HE3 TRP 28 3HE TRP 28 0.302 -0.184 8.522
215 HZ2 TRP 28 2HZ TRP 28 5.243 0.045 7.966
216 HZ3 TRP 28 3HZ TRP 28 1.801 0.174 10.472
217 HH2 TRP 28 HH TRP 28 4.219 0.286 10.182
218 H CYS 29 H CYS 29 -1.113 0.887 3.532
219 HA CYS 29 HA CYS 29 0.013 0.469 0.889
220 HB2 CYS 29 2HB CYS 29 -2.243 1.488 1.258
221 HB3 CYS 29 1HB CYS 29 -1.451 2.844 2.039
222 H LYS 30 H LYS 30 2.100 0.538 0.982
223 HA LYS 30 HA LYS 30 3.579 2.031 2.916
224 HB2 LYS 30 2HB LYS 30 3.945 -0.337 2.220
225 HB3 LYS 30 1HB LYS 30 4.379 0.236 0.630
226 HG2 LYS 30 2HG LYS 30 6.313 1.343 1.548
227 HG3 LYS 30 1HG LYS 30 5.854 0.814 3.179
228 HD2 LYS 30 2HD LYS 30 5.931 -1.544 2.366
229 HD3 LYS 30 1HD LYS 30 6.556 -0.955 0.828
230 HE2 LYS 30 2HE LYS 30 7.874 -0.635 3.519
231 HE3 LYS 30 1HE LYS 30 8.296 -1.832 2.308
232 HZ1 LYS 30 1HZ LYS 30 8.501 1.106 1.952
233 HZ2 LYS 30 2HZ LYS 30 8.981 -0.058 0.835
234 HZ3 LYS 30 3HZ LYS 30 9.765 0.076 2.315
235 H TYR 31 H TYR 31 5.202 3.533 2.294
236 HA TYR 31 HA TYR 31 4.504 5.332 0.178
237 HB2 TYR 31 2HB TYR 31 5.622 5.797 2.479
238 HB3 TYR 31 1HB TYR 31 7.082 5.227 1.683
239 HD1 TYR 31 1HD TYR 31 8.157 6.574 -0.070
240 HD2 TYR 31 2HD TYR 31 4.715 7.967 2.002
241 HE1 TYR 31 1HE TYR 31 8.620 8.851 -0.835
242 HE2 TYR 31 2HE TYR 31 5.164 10.240 1.244
243 HH TYR 31 HH TYR 31 7.100 11.573 0.459
244 H TYR 32 H TYR 32 5.300 5.258 -1.866
245 HA TYR 32 HA TYR 32 7.201 3.163 -2.487
246 HB2 TYR 32 2HB TYR 32 5.177 3.238 -3.816
247 HB3 TYR 32 1HB TYR 32 5.522 4.916 -4.248
248 HD1 TYR 32 1HD TYR 32 6.889 1.496 -4.531
249 HD2 TYR 32 2HD TYR 32 6.725 5.391 -6.167
250 HE1 TYR 32 1HE TYR 32 8.166 0.714 -6.485
251 HE2 TYR 32 2HE TYR 32 7.991 4.654 -8.126
252 HH TYR 32 HH TYR 32 8.419 1.512 -8.963
253 H LEU 33 H LEU 33 9.206 3.558 -2.717
254 HA LEU 33 HA LEU 33 10.132 6.253 -3.395
255 HB2 LEU 33 2HB LEU 33 11.536 4.008 -1.940
256 HB3 LEU 33 1HB LEU 33 12.334 5.476 -2.454
257 HG LEU 33 HG LEU 33 10.042 5.380 -0.488
258 HD11 LEU 33 1HD1 LEU 33 11.741 5.841 1.204
259 HD12 LEU 33 2HD1 LEU 33 13.002 5.697 -0.020
260 HD13 LEU 33 3HD1 LEU 33 12.030 4.292 0.412
261 HD21 LEU 33 1HD2 LEU 33 11.921 7.607 -1.282
262 HD22 LEU 33 2HD2 LEU 33 10.699 7.690 -0.015
263 HD23 LEU 33 3HD2 LEU 33 10.209 7.497 -1.695
264 HN1 NH2 34 1H LEU 33 11.913 3.259 -3.637
265 HN2 NH2 34 2H LEU 33 12.125 3.285 -5.348
Start of MODEL 4
1 H1 ASP 1 1HT ASP 1 -11.458 6.020 -6.038
2 H2 ASP 1 2HT ASP 1 -12.878 6.550 -5.252
3 H3 ASP 1 3HT ASP 1 -12.300 4.965 -5.042
4 HA ASP 1 HA ASP 1 -10.829 7.347 -4.201
5 HB2 ASP 1 2HB ASP 1 -12.460 5.365 -2.589
6 HB3 ASP 1 1HB ASP 1 -11.419 6.611 -1.909
7 H CYS 2 H CYS 2 -9.020 6.724 -2.864
8 HA CYS 2 HA CYS 2 -8.124 4.036 -3.533
9 HB2 CYS 2 2HB CYS 2 -5.804 5.018 -3.562
10 HB3 CYS 2 1HB CYS 2 -6.813 5.451 -4.916
11 H LEU 3 H LEU 3 -5.976 3.761 -2.138
12 HA LEU 3 HA LEU 3 -6.896 4.083 0.613
13 HB2 LEU 3 2HB LEU 3 -5.193 1.957 -0.634
14 HB3 LEU 3 1HB LEU 3 -5.582 2.052 1.068
15 HG LEU 3 HG LEU 3 -7.521 1.510 -1.188
16 HD11 LEU 3 1HD1 LEU 3 -6.551 -0.236 1.061
17 HD12 LEU 3 2HD1 LEU 3 -6.059 -0.361 -0.623
18 HD13 LEU 3 3HD1 LEU 3 -7.735 -0.682 -0.167
19 HD21 LEU 3 1HD2 LEU 3 -8.029 1.704 1.787
20 HD22 LEU 3 2HD2 LEU 3 -9.188 1.148 0.582
21 HD23 LEU 3 3HD2 LEU 3 -8.625 2.817 0.552
22 H GLY 4 H GLY 4 -5.513 5.031 2.015
23 HA2 GLY 4 2HA GLY 4 -3.052 5.842 0.869
24 HA3 GLY 4 1HA GLY 4 -3.747 6.511 2.354
25 H TRP 5 H TRP 5 -1.854 6.074 3.515
26 HA TRP 5 HA TRP 5 -0.303 3.844 3.160
27 HB2 TRP 5 2HB TRP 5 0.469 6.040 4.167
28 HB3 TRP 5 1HB TRP 5 -0.220 5.461 5.676
29 HD1 TRP 5 HD TRP 5 0.801 2.517 5.784
30 HE1 TRP 5 1HE TRP 5 3.269 1.929 5.998
31 HE3 TRP 5 3HE TRP 5 2.784 6.901 4.140
32 HZ2 TRP 5 2HZ TRP 5 5.761 3.176 5.557
33 HZ3 TRP 5 3HZ TRP 5 5.234 7.128 4.078
34 HH2 TRP 5 HH TRP 5 6.683 5.285 4.776
35 H PHE 6 H PHE 6 -2.067 4.521 5.996
36 HA PHE 6 HA PHE 6 -1.522 1.799 6.943
37 HB2 PHE 6 2HB PHE 6 -2.873 4.148 8.242
38 HB3 PHE 6 1HB PHE 6 -2.437 2.650 9.108
39 HD1 PHE 6 1HD PHE 6 0.092 2.094 9.039
40 HD2 PHE 6 2HD PHE 6 -1.530 5.932 8.207
41 HE1 PHE 6 1HE PHE 6 2.263 3.111 9.514
42 HE2 PHE 6 2HE PHE 6 0.638 6.958 8.676
43 HZ PHE 6 HZ PHE 6 2.538 5.549 9.332
44 H LYS 7 H LYS 7 -3.301 2.169 4.783
45 HA LYS 7 HA LYS 7 -5.769 1.078 5.905
46 HB2 LYS 7 2HB LYS 7 -5.212 1.949 3.098
47 HB3 LYS 7 1HB LYS 7 -6.763 1.562 3.782
48 HG2 LYS 7 2HG LYS 7 -5.105 3.960 4.587
49 HG3 LYS 7 1HG LYS 7 -6.521 4.003 3.538
50 HD2 LYS 7 2HD LYS 7 -7.918 3.195 5.360
51 HD3 LYS 7 1HD LYS 7 -6.506 3.063 6.406
52 HE2 LYS 7 2HE LYS 7 -7.536 5.631 5.196
53 HE3 LYS 7 1HE LYS 7 -7.859 5.093 6.839
54 HZ1 LYS 7 1HZ LYS 7 -5.439 5.188 7.272
55 HZ2 LYS 7 2HZ LYS 7 -6.089 6.662 6.822
56 HZ3 LYS 7 3HZ LYS 7 -5.193 5.812 5.707
57 H SER 8 H SER 8 -6.342 -0.993 5.228
58 HA SER 8 HA SER 8 -4.181 -2.678 4.680
59 HB2 SER 8 2HB SER 8 -7.071 -3.280 4.667
60 HB3 SER 8 1HB SER 8 -5.717 -4.304 5.099
61 HG SER 8 HG SER 8 -5.312 -3.145 6.898
62 H CYS 9 H CYS 9 -3.730 -3.557 2.842
63 HA CYS 9 HA CYS 9 -5.559 -3.354 0.590
64 HB2 CYS 9 2HB CYS 9 -4.243 -1.436 0.424
65 HB3 CYS 9 1HB CYS 9 -2.754 -2.378 0.641
66 H ASP 10 H ASP 10 -4.428 -4.473 -1.273
67 HA ASP 10 HA ASP 10 -3.228 -6.956 -0.290
68 HB2 ASP 10 2HB ASP 10 -5.624 -7.329 -0.762
69 HB3 ASP 10 1HB ASP 10 -5.376 -6.745 -2.402
70 HA PRO 11 HA PRO 11 -0.104 -5.740 -3.181
71 HB2 PRO 11 2HB PRO 11 0.858 -8.254 -3.670
72 HB3 PRO 11 1HB PRO 11 1.355 -7.254 -2.279
73 HG2 PRO 11 2HG PRO 11 -0.696 -9.440 -2.473
74 HG3 PRO 11 1HG PRO 11 0.468 -9.159 -1.174
75 HD2 PRO 11 2HD PRO 11 -2.035 -8.477 -0.882
76 HD3 PRO 11 1HD PRO 11 -0.762 -7.360 -0.321
77 H LYS 12 H LYS 12 -2.369 -8.195 -3.980
78 HA LYS 12 HA LYS 12 -1.579 -8.114 -6.797
79 HB2 LYS 12 2HB LYS 12 -3.500 -9.938 -5.364
80 HB3 LYS 12 1HB LYS 12 -2.952 -10.108 -7.028
81 HG2 LYS 12 2HG LYS 12 -0.684 -10.473 -6.266
82 HG3 LYS 12 1HG LYS 12 -1.196 -10.246 -4.595
83 HD2 LYS 12 2HD LYS 12 -2.664 -12.195 -4.797
84 HD3 LYS 12 1HD LYS 12 -2.118 -12.429 -6.458
85 HE2 LYS 12 2HE LYS 12 -0.413 -12.528 -3.973
86 HE3 LYS 12 1HE LYS 12 -0.904 -13.900 -4.964
87 HZ1 LYS 12 1HZ LYS 12 0.337 -12.929 -6.812
88 HZ2 LYS 12 2HZ LYS 12 1.317 -13.266 -5.498
89 HZ3 LYS 12 3HZ LYS 12 0.880 -11.673 -5.817
90 H ASN 13 H ASN 13 -3.620 -6.647 -4.695
91 HA ASN 13 HA ASN 13 -5.429 -5.877 -6.848
92 HB2 ASN 13 2HB ASN 13 -6.384 -7.708 -5.371
93 HB3 ASN 13 1HB ASN 13 -6.373 -6.549 -4.065
94 HD21 ASN 13 1HD2 ASN 13 -7.136 -5.636 -7.381
95 HD22 ASN 13 2HD2 ASN 13 -8.784 -5.266 -7.065
96 H ASP 14 H ASP 14 -3.357 -4.488 -6.187
97 HA ASP 14 HA ASP 14 -3.359 -2.698 -4.073
98 HB2 ASP 14 2HB ASP 14 -1.553 -3.023 -5.777
99 HB3 ASP 14 1HB ASP 14 -2.518 -2.024 -6.863
100 H LYS 15 H LYS 15 -4.434 -0.979 -3.591
101 HA LYS 15 HA LYS 15 -6.288 0.256 -5.504
102 HB2 LYS 15 2HB LYS 15 -6.685 -0.404 -2.599
103 HB3 LYS 15 1HB LYS 15 -7.789 0.525 -3.592
104 HG2 LYS 15 2HG LYS 15 -8.281 -1.406 -4.940
105 HG3 LYS 15 1HG LYS 15 -7.000 -2.328 -4.154
106 HD2 LYS 15 2HD LYS 15 -8.241 -2.078 -2.006
107 HD3 LYS 15 1HD LYS 15 -9.558 -1.333 -2.913
108 HE2 LYS 15 2HE LYS 15 -8.456 -4.094 -3.414
109 HE3 LYS 15 1HE LYS 15 -9.893 -3.743 -2.465
110 HZ1 LYS 15 1HZ LYS 15 -9.568 -3.057 -5.342
111 HZ2 LYS 15 2HZ LYS 15 -10.959 -2.864 -4.429
112 HZ3 LYS 15 3HZ LYS 15 -10.375 -4.409 -4.768
113 H CYS 16 H CYS 16 -3.516 0.810 -4.404
114 HA CYS 16 HA CYS 16 -3.758 2.851 -2.450
115 HB2 CYS 16 2HB CYS 16 -1.507 1.783 -4.074
116 HB3 CYS 16 1HB CYS 16 -1.324 3.170 -3.007
117 H CYS 17 H CYS 17 -3.126 5.024 -2.596
118 HA CYS 17 HA CYS 17 -3.948 6.377 -4.877
119 HB2 CYS 17 2HB CYS 17 -2.489 7.249 -2.380
120 HB3 CYS 17 1HB CYS 17 -3.275 8.300 -3.543
121 H LYS 18 H LYS 18 -2.287 8.249 -5.364
122 HA LYS 18 HA LYS 18 -0.100 7.146 -6.799
123 HB2 LYS 18 2HB LYS 18 -1.312 9.196 -7.476
124 HB3 LYS 18 1HB LYS 18 -0.659 10.013 -6.061
125 HG2 LYS 18 2HG LYS 18 1.570 9.625 -6.853
126 HG3 LYS 18 1HG LYS 18 0.906 8.804 -8.273
127 HD2 LYS 18 2HD LYS 18 -0.174 10.841 -8.983
128 HD3 LYS 18 1HD LYS 18 0.399 11.674 -7.533
129 HE2 LYS 18 2HE LYS 18 2.166 10.502 -9.686
130 HE3 LYS 18 1HE LYS 18 1.773 12.211 -9.521
131 HZ1 LYS 18 1HZ LYS 18 3.282 10.577 -7.520
132 HZ2 LYS 18 2HZ LYS 18 2.848 12.188 -7.345
133 HZ3 LYS 18 3HZ LYS 18 3.929 11.753 -8.539
134 H ASN 19 H ASN 19 1.954 6.898 -6.356
135 HA ASN 19 HA ASN 19 3.928 6.925 -5.358
136 HB2 ASN 19 2HB ASN 19 2.674 9.125 -3.832
137 HB3 ASN 19 1HB ASN 19 4.268 8.522 -3.329
138 HD21 ASN 19 1HD2 ASN 19 5.379 10.393 -3.870
139 HD22 ASN 19 2HD2 ASN 19 5.546 10.950 -5.499
140 H TYR 20 H TYR 20 1.439 5.488 -4.307
141 HA TYR 20 HA TYR 20 2.855 4.328 -2.041
142 HB2 TYR 20 2HB TYR 20 -0.085 4.818 -2.340
143 HB3 TYR 20 1HB TYR 20 0.624 3.779 -1.148
144 HD1 TYR 20 1HD TYR 20 1.415 4.626 0.916
145 HD2 TYR 20 2HD TYR 20 0.458 7.333 -2.218
146 HE1 TYR 20 1HE TYR 20 1.594 6.490 2.479
147 HE2 TYR 20 2HE TYR 20 0.639 9.205 -0.669
148 HH TYR 20 HH TYR 20 1.969 8.924 2.461
149 H THR 21 H THR 21 2.276 2.114 -1.729
150 HA THR 21 HA THR 21 0.873 0.609 -3.719
151 HB THR 21 HB THR 21 3.792 0.171 -3.336
152 HG1 THR 21 1HG THR 21 2.663 1.933 -4.891
153 HG21 THR 21 1HG2 THR 21 2.609 -1.875 -3.823
154 HG22 THR 21 2HG2 THR 21 3.614 -1.445 -5.205
155 HG23 THR 21 3HG2 THR 21 1.874 -1.147 -5.253
156 H CYS 22 H CYS 22 0.278 -1.288 -2.744
157 HA CYS 22 HA CYS 22 0.952 -1.295 -0.004
158 HB2 CYS 22 2HB CYS 22 -0.794 -3.032 0.164
159 HB3 CYS 22 1HB CYS 22 -1.309 -1.391 -0.256
160 H SER 23 H SER 23 1.656 -2.709 1.250
161 HA SER 23 HA SER 23 3.645 -4.458 0.116
162 HB2 SER 23 2HB SER 23 4.319 -2.875 1.839
163 HB3 SER 23 1HB SER 23 3.032 -3.426 2.898
164 HG SER 23 HG SER 23 5.164 -4.232 3.362
165 H ARG 24 H ARG 24 3.736 -6.634 0.778
166 HA ARG 24 HA ARG 24 1.216 -7.799 1.698
167 HB2 ARG 24 2HB ARG 24 2.121 -8.675 -0.357
168 HB3 ARG 24 1HB ARG 24 3.654 -8.963 0.452
169 HG2 ARG 24 2HG ARG 24 2.263 -11.058 0.086
170 HG3 ARG 24 1HG ARG 24 2.783 -10.772 1.742
171 HD2 ARG 24 2HD ARG 24 0.554 -9.777 2.214
172 HD3 ARG 24 1HD ARG 24 0.044 -10.215 0.584
173 HE ARG 24 HE ARG 24 0.005 -12.421 1.183
174 HH11 ARG 24 1HH1 ARG 24 1.312 -10.531 3.919
175 HH12 ARG 24 2HH1 ARG 24 0.938 -11.694 5.086
176 HH21 ARG 24 1HH2 ARG 24 -0.492 -14.048 2.847
177 HH22 ARG 24 2HH2 ARG 24 -0.087 -13.732 4.470
178 H ARG 25 H ARG 25 4.482 -7.199 2.483
179 HA ARG 25 HA ARG 25 4.833 -8.996 4.617
180 HB2 ARG 25 2HB ARG 25 6.612 -7.722 3.423
181 HB3 ARG 25 1HB ARG 25 5.987 -6.257 4.156
182 HG2 ARG 25 2HG ARG 25 6.422 -7.252 6.357
183 HG3 ARG 25 1HG ARG 25 7.229 -8.588 5.505
184 HD2 ARG 25 2HD ARG 25 8.860 -6.917 6.241
185 HD3 ARG 25 1HD ARG 25 8.769 -6.997 4.478
186 HE ARG 25 HE ARG 25 6.988 -5.038 5.211
187 HH11 ARG 25 1HH1 ARG 25 10.464 -5.488 5.590
188 HH12 ARG 25 2HH1 ARG 25 10.781 -3.821 5.678
189 HH21 ARG 25 1HH2 ARG 25 7.377 -2.901 5.355
190 HH22 ARG 25 2HH2 ARG 25 8.969 -2.275 5.553
191 H ASP 26 H ASP 26 3.997 -5.584 4.383
192 HA ASP 26 HA ASP 26 3.234 -5.457 7.163
193 HB2 ASP 26 2HB ASP 26 3.122 -3.294 5.070
194 HB3 ASP 26 1HB ASP 26 3.099 -3.145 6.804
195 H ARG 27 H ARG 27 1.759 -5.850 3.996
196 HA ARG 27 HA ARG 27 -0.148 -5.642 3.107
197 HB2 ARG 27 2HB ARG 27 -1.240 -6.383 5.801
198 HB3 ARG 27 1HB ARG 27 -2.034 -6.463 4.218
199 HG2 ARG 27 2HG ARG 27 -0.211 -8.010 3.482
200 HG3 ARG 27 1HG ARG 27 0.286 -8.104 5.169
201 HD2 ARG 27 2HD ARG 27 -1.118 -9.970 4.721
202 HD3 ARG 27 1HD ARG 27 -2.030 -8.833 5.718
203 HE ARG 27 HE ARG 27 -2.357 -9.051 2.788
204 HH11 ARG 27 1HH1 ARG 27 -3.778 -8.659 6.009
205 HH12 ARG 27 2HH1 ARG 27 -5.366 -8.556 5.418
206 HH21 ARG 27 1HH2 ARG 27 -4.537 -8.956 2.022
207 HH22 ARG 27 2HH2 ARG 27 -5.816 -8.762 3.128
208 H TRP 28 H TRP 28 0.821 -3.191 4.598
209 HA TRP 28 HA TRP 28 -1.702 -1.780 4.249
210 HB2 TRP 28 2HB TRP 28 -0.694 0.137 5.414
211 HB3 TRP 28 1HB TRP 28 -0.762 -1.289 6.419
212 HD1 TRP 28 HD TRP 28 2.226 -0.792 4.032
213 HE1 TRP 28 1HE TRP 28 4.341 -0.320 5.504
214 HE3 TRP 28 3HE TRP 28 -0.039 -0.338 8.508
215 HZ2 TRP 28 2HZ TRP 28 4.899 0.206 8.213
216 HZ3 TRP 28 3HZ TRP 28 1.325 0.166 10.529
217 HH2 TRP 28 HH TRP 28 3.741 0.427 10.362
218 H CYS 29 H CYS 29 -1.232 0.507 3.375
219 HA CYS 29 HA CYS 29 0.027 0.067 0.811
220 HB2 CYS 29 2HB CYS 29 -2.242 0.991 1.007
221 HB3 CYS 29 1HB CYS 29 -1.585 2.353 1.903
222 H LYS 30 H LYS 30 2.142 0.300 0.905
223 HA LYS 30 HA LYS 30 3.342 2.017 2.884
224 HB2 LYS 30 2HB LYS 30 3.889 -0.406 2.471
225 HB3 LYS 30 1HB LYS 30 4.503 0.066 0.905
226 HG2 LYS 30 2HG LYS 30 6.207 1.407 1.975
227 HG3 LYS 30 1HG LYS 30 5.550 0.950 3.560
228 HD2 LYS 30 2HD LYS 30 5.977 -1.398 3.101
229 HD3 LYS 30 1HD LYS 30 6.584 -1.004 1.498
230 HE2 LYS 30 2HE LYS 30 7.807 -0.215 4.138
231 HE3 LYS 30 1HE LYS 30 8.397 -1.447 3.038
232 HZ1 LYS 30 1HZ LYS 30 8.302 1.475 2.495
233 HZ2 LYS 30 2HZ LYS 30 8.765 0.305 1.375
234 HZ3 LYS 30 3HZ LYS 30 9.660 0.529 2.779
235 H TYR 31 H TYR 31 4.731 3.742 2.247
236 HA TYR 31 HA TYR 31 4.099 5.079 -0.141
237 HB2 TYR 31 2HB TYR 31 5.044 6.211 1.886
238 HB3 TYR 31 1HB TYR 31 6.587 5.425 1.513
239 HD1 TYR 31 1HD TYR 31 8.096 6.385 -0.013
240 HD2 TYR 31 2HD TYR 31 4.115 7.854 0.185
241 HE1 TYR 31 1HE TYR 31 8.711 8.215 -1.521
242 HE2 TYR 31 2HE TYR 31 4.711 9.697 -1.321
243 HH TYR 31 HH TYR 31 7.653 9.724 -3.082
244 H TYR 32 H TYR 32 4.924 4.982 -2.088
245 HA TYR 32 HA TYR 32 6.866 2.900 -2.600
246 HB2 TYR 32 2HB TYR 32 4.707 2.934 -3.785
247 HB3 TYR 32 1HB TYR 32 5.143 4.482 -4.504
248 HD1 TYR 32 1HD TYR 32 5.904 0.939 -4.334
249 HD2 TYR 32 2HD TYR 32 6.647 4.565 -6.346
250 HE1 TYR 32 1HE TYR 32 6.973 -0.323 -6.146
251 HE2 TYR 32 2HE TYR 32 7.731 3.341 -8.193
252 HH TYR 32 HH TYR 32 7.439 0.015 -8.571
253 H LEU 33 H LEU 33 8.831 3.396 -3.094
254 HA LEU 33 HA LEU 33 9.628 6.174 -3.219
255 HB2 LEU 33 2HB LEU 33 11.269 3.644 -3.324
256 HB3 LEU 33 1HB LEU 33 11.909 5.272 -3.247
257 HG LEU 33 HG LEU 33 10.268 3.962 -1.084
258 HD11 LEU 33 1HD1 LEU 33 12.449 2.923 -1.327
259 HD12 LEU 33 2HD1 LEU 33 12.377 3.902 0.140
260 HD13 LEU 33 3HD1 LEU 33 13.222 4.508 -1.281
261 HD21 LEU 33 1HD2 LEU 33 10.018 6.394 -1.121
262 HD22 LEU 33 2HD2 LEU 33 11.771 6.580 -1.135
263 HD23 LEU 33 3HD2 LEU 33 10.972 5.881 0.269
264 HN1 NH2 34 1H LEU 33 8.730 6.742 -5.164
265 HN2 NH2 34 2H LEU 33 9.355 6.223 -6.696
Start of MODEL 5
1 H1 ASP 1 1HT ASP 1 -13.135 5.348 -4.342
2 H2 ASP 1 2HT ASP 1 -12.297 4.664 -3.031
3 H3 ASP 1 3HT ASP 1 -12.086 4.037 -4.561
4 HA ASP 1 HA ASP 1 -10.996 5.992 -5.307
5 HB2 ASP 1 2HB ASP 1 -11.454 6.891 -2.454
6 HB3 ASP 1 1HB ASP 1 -10.253 7.632 -3.493
7 H CYS 2 H CYS 2 -8.724 6.703 -4.029
8 HA CYS 2 HA CYS 2 -7.447 4.177 -3.839
9 HB2 CYS 2 2HB CYS 2 -5.441 5.490 -3.440
10 HB3 CYS 2 1HB CYS 2 -6.256 5.911 -4.924
11 H LEU 3 H LEU 3 -5.772 3.982 -2.155
12 HA LEU 3 HA LEU 3 -6.955 4.425 0.487
13 HB2 LEU 3 2HB LEU 3 -5.276 2.106 -0.483
14 HB3 LEU 3 1HB LEU 3 -5.852 2.328 1.154
15 HG LEU 3 HG LEU 3 -7.592 1.850 -1.261
16 HD11 LEU 3 1HD1 LEU 3 -6.310 -0.109 -0.636
17 HD12 LEU 3 2HD1 LEU 3 -8.014 -0.329 -0.235
18 HD13 LEU 3 3HD1 LEU 3 -6.850 0.047 1.037
19 HD21 LEU 3 1HD2 LEU 3 -9.400 1.577 0.384
20 HD22 LEU 3 2HD2 LEU 3 -8.736 3.208 0.397
21 HD23 LEU 3 3HD2 LEU 3 -8.292 2.066 1.667
22 H GLY 4 H GLY 4 -5.502 5.042 2.118
23 HA2 GLY 4 2HA GLY 4 -3.086 6.068 1.030
24 HA3 GLY 4 1HA GLY 4 -3.850 6.578 2.548
25 H TRP 5 H TRP 5 -1.828 6.268 3.477
26 HA TRP 5 HA TRP 5 -0.119 4.171 3.124
27 HB2 TRP 5 2HB TRP 5 0.389 6.439 4.116
28 HB3 TRP 5 1HB TRP 5 -0.250 5.810 5.624
29 HD1 TRP 5 HD TRP 5 1.208 3.000 5.713
30 HE1 TRP 5 1HE TRP 5 3.757 2.874 6.091
31 HE3 TRP 5 3HE TRP 5 2.454 7.721 4.236
32 HZ2 TRP 5 2HZ TRP 5 6.000 4.582 5.809
33 HZ3 TRP 5 3HZ TRP 5 4.818 8.406 4.328
34 HH2 TRP 5 HH TRP 5 6.552 6.862 5.103
35 H PHE 6 H PHE 6 -2.075 4.678 5.865
36 HA PHE 6 HA PHE 6 -1.384 2.002 6.869
37 HB2 PHE 6 2HB PHE 6 -2.990 4.217 8.107
38 HB3 PHE 6 1HB PHE 6 -2.504 2.732 8.954
39 HD1 PHE 6 1HD PHE 6 -1.717 6.080 8.079
40 HD2 PHE 6 2HD PHE 6 -0.001 2.368 9.214
41 HE1 PHE 6 1HE PHE 6 0.325 7.231 8.755
42 HE2 PHE 6 2HE PHE 6 2.044 3.516 9.895
43 HZ PHE 6 HZ PHE 6 2.207 5.953 9.669
44 H LYS 7 H LYS 7 -3.228 2.509 4.609
45 HA LYS 7 HA LYS 7 -5.530 1.104 5.715
46 HB2 LYS 7 2HB LYS 7 -5.052 2.067 2.939
47 HB3 LYS 7 1HB LYS 7 -6.528 1.354 3.524
48 HG2 LYS 7 2HG LYS 7 -5.419 4.002 4.468
49 HG3 LYS 7 1HG LYS 7 -6.781 3.788 3.367
50 HD2 LYS 7 2HD LYS 7 -8.018 2.610 5.129
51 HD3 LYS 7 1HD LYS 7 -6.653 2.818 6.225
52 HE2 LYS 7 2HE LYS 7 -6.887 5.233 6.069
53 HE3 LYS 7 1HE LYS 7 -8.254 5.042 4.970
54 HZ1 LYS 7 1HZ LYS 7 -8.136 4.155 7.805
55 HZ2 LYS 7 2HZ LYS 7 -9.409 3.864 6.764
56 HZ3 LYS 7 3HZ LYS 7 -9.033 5.450 7.195
57 H SER 8 H SER 8 -5.909 -0.937 5.157
58 HA SER 8 HA SER 8 -3.606 -2.376 4.346
59 HB2 SER 8 2HB SER 8 -6.207 -3.454 5.139
60 HB3 SER 8 1HB SER 8 -4.586 -4.054 5.417
61 HG SER 8 HG SER 8 -4.475 -3.039 7.231
62 H CYS 9 H CYS 9 -3.518 -3.211 2.417
63 HA CYS 9 HA CYS 9 -5.883 -4.117 1.177
64 HB2 CYS 9 2HB CYS 9 -4.973 -3.320 -1.030
65 HB3 CYS 9 1HB CYS 9 -5.887 -2.150 -0.068
66 H ASP 10 H ASP 10 -5.156 -5.214 -0.967
67 HA ASP 10 HA ASP 10 -2.968 -6.974 -0.163
68 HB2 ASP 10 2HB ASP 10 -5.210 -8.101 -0.392
69 HB3 ASP 10 1HB ASP 10 -5.271 -7.565 -2.065
70 HA PRO 11 HA PRO 11 -0.933 -4.867 -3.590
71 HB2 PRO 11 2HB PRO 11 0.776 -7.114 -3.934
72 HB3 PRO 11 1HB PRO 11 1.160 -5.591 -3.131
73 HG2 PRO 11 2HG PRO 11 0.278 -8.169 -1.985
74 HG3 PRO 11 1HG PRO 11 1.302 -6.897 -1.265
75 HD2 PRO 11 2HD PRO 11 -1.152 -7.355 -0.465
76 HD3 PRO 11 1HD PRO 11 -0.526 -5.707 -0.552
77 H LYS 12 H LYS 12 -2.165 -8.178 -3.643
78 HA LYS 12 HA LYS 12 -1.987 -8.420 -6.496
79 HB2 LYS 12 2HB LYS 12 -3.505 -10.068 -4.476
80 HB3 LYS 12 1HB LYS 12 -3.452 -10.437 -6.192
81 HG2 LYS 12 2HG LYS 12 -1.025 -10.727 -6.051
82 HG3 LYS 12 1HG LYS 12 -1.087 -10.358 -4.325
83 HD2 LYS 12 2HD LYS 12 -2.510 -12.280 -3.940
84 HD3 LYS 12 1HD LYS 12 -2.535 -12.644 -5.664
85 HE2 LYS 12 2HE LYS 12 -0.075 -12.633 -3.912
86 HE3 LYS 12 1HE LYS 12 -0.967 -14.075 -4.386
87 HZ1 LYS 12 1HZ LYS 12 0.954 -13.752 -5.772
88 HZ2 LYS 12 2HZ LYS 12 0.460 -12.218 -6.214
89 HZ3 LYS 12 3HZ LYS 12 -0.430 -13.572 -6.706
90 H ASN 13 H ASN 13 -4.053 -6.780 -4.495
91 HA ASN 13 HA ASN 13 -5.936 -6.261 -6.689
92 HB2 ASN 13 2HB ASN 13 -6.766 -7.995 -4.909
93 HB3 ASN 13 1HB ASN 13 -6.846 -6.622 -3.823
94 HD21 ASN 13 1HD2 ASN 13 -8.249 -8.142 -6.559
95 HD22 ASN 13 2HD2 ASN 13 -9.659 -7.154 -6.668
96 H ASP 14 H ASP 14 -3.777 -4.906 -6.032
97 HA ASP 14 HA ASP 14 -3.761 -3.147 -3.858
98 HB2 ASP 14 2HB ASP 14 -1.777 -3.635 -5.166
99 HB3 ASP 14 1HB ASP 14 -2.466 -2.747 -6.530
100 H LYS 15 H LYS 15 -4.758 -1.505 -3.400
101 HA LYS 15 HA LYS 15 -6.131 0.076 -5.456
102 HB2 LYS 15 2HB LYS 15 -7.027 -0.829 -2.763
103 HB3 LYS 15 1HB LYS 15 -7.758 0.562 -3.547
104 HG2 LYS 15 2HG LYS 15 -8.400 -0.852 -5.455
105 HG3 LYS 15 1HG LYS 15 -7.632 -2.236 -4.683
106 HD2 LYS 15 2HD LYS 15 -9.893 -0.684 -3.439
107 HD3 LYS 15 1HD LYS 15 -10.134 -2.099 -4.462
108 HE2 LYS 15 2HE LYS 15 -8.515 -2.061 -1.915
109 HE3 LYS 15 1HE LYS 15 -10.174 -2.633 -2.046
110 HZ1 LYS 15 1HZ LYS 15 -7.800 -3.827 -3.412
111 HZ2 LYS 15 2HZ LYS 15 -9.372 -4.301 -3.676
112 HZ3 LYS 15 3HZ LYS 15 -8.708 -4.498 -2.162
113 H CYS 16 H CYS 16 -3.500 0.421 -4.313
114 HA CYS 16 HA CYS 16 -3.522 2.423 -2.341
115 HB2 CYS 16 2HB CYS 16 -1.490 1.205 -4.085
116 HB3 CYS 16 1HB CYS 16 -1.111 2.735 -3.288
117 H CYS 17 H CYS 17 -2.663 4.541 -2.507
118 HA CYS 17 HA CYS 17 -3.811 5.899 -4.781
119 HB2 CYS 17 2HB CYS 17 -3.971 6.486 -2.180
120 HB3 CYS 17 1HB CYS 17 -2.498 7.363 -2.555
121 H LYS 18 H LYS 18 -2.229 8.148 -4.652
122 HA LYS 18 HA LYS 18 -0.274 7.429 -6.528
123 HB2 LYS 18 2HB LYS 18 -1.477 9.506 -6.683
124 HB3 LYS 18 1HB LYS 18 -0.885 10.009 -5.108
125 HG2 LYS 18 2HG LYS 18 0.311 11.151 -6.817
126 HG3 LYS 18 1HG LYS 18 1.357 10.003 -5.960
127 HD2 LYS 18 2HD LYS 18 1.109 8.393 -7.785
128 HD3 LYS 18 1HD LYS 18 0.061 9.517 -8.645
129 HE2 LYS 18 2HE LYS 18 2.928 10.068 -7.901
130 HE3 LYS 18 1HE LYS 18 2.411 9.471 -9.472
131 HZ1 LYS 18 1HZ LYS 18 1.598 12.047 -8.252
132 HZ2 LYS 18 2HZ LYS 18 1.153 11.489 -9.793
133 HZ3 LYS 18 3HZ LYS 18 2.785 11.825 -9.429
134 H ASN 19 H ASN 19 1.788 6.940 -6.259
135 HA ASN 19 HA ASN 19 3.873 6.707 -5.465
136 HB2 ASN 19 2HB ASN 19 3.360 9.188 -4.853
137 HB3 ASN 19 1HB ASN 19 3.326 8.596 -3.201
138 HD21 ASN 19 1HD2 ASN 19 5.227 7.726 -2.341
139 HD22 ASN 19 2HD2 ASN 19 6.792 8.100 -2.967
140 H TYR 20 H TYR 20 1.457 5.357 -4.377
141 HA TYR 20 HA TYR 20 2.753 4.144 -2.040
142 HB2 TYR 20 2HB TYR 20 -0.151 4.568 -2.569
143 HB3 TYR 20 1HB TYR 20 0.460 3.461 -1.383
144 HD1 TYR 20 1HD TYR 20 1.869 4.385 0.523
145 HD2 TYR 20 2HD TYR 20 -0.462 6.847 -2.021
146 HE1 TYR 20 1HE TYR 20 1.880 6.130 2.224
147 HE2 TYR 20 2HE TYR 20 -0.463 8.607 -0.335
148 HH TYR 20 HH TYR 20 -0.194 8.737 2.183
149 H THR 21 H THR 21 2.212 1.950 -1.700
150 HA THR 21 HA THR 21 1.042 0.255 -3.748
151 HB THR 21 HB THR 21 3.833 -0.032 -2.907
152 HG1 THR 21 1HG THR 21 2.952 1.642 -4.733
153 HG21 THR 21 1HG2 THR 21 4.061 -1.683 -4.773
154 HG22 THR 21 2HG2 THR 21 2.337 -1.471 -5.067
155 HG23 THR 21 3HG2 THR 21 2.895 -2.127 -3.525
156 H CYS 22 H CYS 22 0.137 -1.394 -2.497
157 HA CYS 22 HA CYS 22 1.078 -1.482 0.110
158 HB2 CYS 22 2HB CYS 22 -0.723 -3.393 0.302
159 HB3 CYS 22 1HB CYS 22 -1.050 -1.672 0.530
160 H SER 23 H SER 23 1.827 -2.823 1.315
161 HA SER 23 HA SER 23 3.716 -4.645 0.077
162 HB2 SER 23 2HB SER 23 4.517 -2.930 1.635
163 HB3 SER 23 1HB SER 23 3.347 -3.433 2.835
164 HG SER 23 HG SER 23 5.359 -4.205 3.343
165 H ARG 24 H ARG 24 3.808 -6.925 0.846
166 HA ARG 24 HA ARG 24 1.338 -7.835 1.920
167 HB2 ARG 24 2HB ARG 24 3.692 -9.102 0.690
168 HB3 ARG 24 1HB ARG 24 2.695 -9.966 1.871
169 HG2 ARG 24 2HG ARG 24 1.635 -8.733 -0.660
170 HG3 ARG 24 1HG ARG 24 2.065 -10.433 -0.509
171 HD2 ARG 24 2HD ARG 24 0.437 -10.670 1.337
172 HD3 ARG 24 1HD ARG 24 -0.048 -9.001 1.139
173 HE ARG 24 HE ARG 24 -1.192 -9.576 -0.835
174 HH11 ARG 24 1HH1 ARG 24 0.569 -12.412 0.378
175 HH12 ARG 24 2HH1 ARG 24 -0.473 -13.507 -0.403
176 HH21 ARG 24 1HH2 ARG 24 -2.600 -11.041 -1.786
177 HH22 ARG 24 2HH2 ARG 24 -2.362 -12.730 -1.648
178 H ARG 25 H ARG 25 4.614 -7.271 2.762
179 HA ARG 25 HA ARG 25 4.884 -8.788 5.095
180 HB2 ARG 25 2HB ARG 25 6.677 -7.643 3.809
181 HB3 ARG 25 1HB ARG 25 6.060 -6.106 4.387
182 HG2 ARG 25 2HG ARG 25 6.482 -6.896 6.679
183 HG3 ARG 25 1HG ARG 25 7.304 -8.299 5.960
184 HD2 ARG 25 2HD ARG 25 8.937 -6.565 6.539
185 HD3 ARG 25 1HD ARG 25 8.842 -6.773 4.790
186 HE ARG 25 HE ARG 25 7.043 -4.763 5.507
187 HH11 ARG 25 1HH1 ARG 25 10.558 -5.186 5.353
188 HH12 ARG 25 2HH1 ARG 25 10.859 -3.515 5.257
189 HH21 ARG 25 1HH2 ARG 25 7.449 -2.601 5.451
190 HH22 ARG 25 2HH2 ARG 25 9.071 -1.988 5.350
191 H ASP 26 H ASP 26 4.042 -5.420 4.550
192 HA ASP 26 HA ASP 26 3.291 -4.954 7.305
193 HB2 ASP 26 2HB ASP 26 3.083 -3.055 4.969
194 HB3 ASP 26 1HB ASP 26 3.120 -2.721 6.667
195 H ARG 27 H ARG 27 1.764 -5.811 4.286
196 HA ARG 27 HA ARG 27 -0.135 -5.571 3.323
197 HB2 ARG 27 2HB ARG 27 -1.244 -6.139 6.075
198 HB3 ARG 27 1HB ARG 27 -2.057 -6.153 4.495
199 HG2 ARG 27 2HG ARG 27 0.269 -7.891 5.047
200 HG3 ARG 27 1HG ARG 27 -1.398 -8.399 5.358
201 HD2 ARG 27 2HD ARG 27 -0.187 -7.509 2.773
202 HD3 ARG 27 1HD ARG 27 -0.659 -9.174 3.170
203 HE ARG 27 HE ARG 27 -2.261 -6.903 2.387
204 HH11 ARG 27 1HH1 ARG 27 -2.246 -10.365 3.351
205 HH12 ARG 27 2HH1 ARG 27 -3.874 -10.594 2.943
206 HH21 ARG 27 1HH2 ARG 27 -4.601 -7.318 1.894
207 HH22 ARG 27 2HH2 ARG 27 -5.196 -8.885 2.130
208 H TRP 28 H TRP 28 0.868 -3.005 4.681
209 HA TRP 28 HA TRP 28 -1.666 -1.646 4.256
210 HB2 TRP 28 2HB TRP 28 -0.753 0.305 5.369
211 HB3 TRP 28 1HB TRP 28 -0.733 -1.089 6.421
212 HD1 TRP 28 HD TRP 28 2.195 -0.489 3.988
213 HE1 TRP 28 1HE TRP 28 4.285 0.150 5.434
214 HE3 TRP 28 3HE TRP 28 -0.058 -0.048 8.424
215 HZ2 TRP 28 2HZ TRP 28 4.834 0.770 8.115
216 HZ3 TRP 28 3HZ TRP 28 1.280 0.591 10.442
217 HH2 TRP 28 HH TRP 28 3.678 0.987 10.258
218 H CYS 29 H CYS 29 -1.305 0.529 3.330
219 HA CYS 29 HA CYS 29 -0.123 0.077 0.764
220 HB2 CYS 29 2HB CYS 29 -2.391 1.019 1.120
221 HB3 CYS 29 1HB CYS 29 -1.657 2.400 1.919
222 H LYS 30 H LYS 30 2.025 0.192 0.956
223 HA LYS 30 HA LYS 30 3.251 1.958 2.825
224 HB2 LYS 30 2HB LYS 30 3.862 -0.428 2.512
225 HB3 LYS 30 1HB LYS 30 4.398 -0.046 0.890
226 HG2 LYS 30 2HG LYS 30 6.156 1.298 1.716
227 HG3 LYS 30 1HG LYS 30 5.533 1.163 3.373
228 HD2 LYS 30 2HD LYS 30 5.916 -1.263 3.306
229 HD3 LYS 30 1HD LYS 30 6.563 -1.112 1.674
230 HE2 LYS 30 2HE LYS 30 7.723 0.227 4.115
231 HE3 LYS 30 1HE LYS 30 8.293 -1.293 3.437
232 HZ1 LYS 30 1HZ LYS 30 9.614 0.619 2.710
233 HZ2 LYS 30 2HZ LYS 30 8.261 1.278 1.938
234 HZ3 LYS 30 3HZ LYS 30 8.883 -0.186 1.435
235 H TYR 31 H TYR 31 4.482 3.665 2.314
236 HA TYR 31 HA TYR 31 4.054 5.118 -0.066
237 HB2 TYR 31 2HB TYR 31 4.743 5.949 2.260
238 HB3 TYR 31 1HB TYR 31 6.354 5.379 1.848
239 HD1 TYR 31 1HD TYR 31 7.815 6.709 0.503
240 HD2 TYR 31 2HD TYR 31 3.736 7.832 0.970
241 HE1 TYR 31 1HE TYR 31 8.311 8.903 -0.459
242 HE2 TYR 31 2HE TYR 31 4.220 10.023 -0.003
243 HH TYR 31 HH TYR 31 6.139 11.510 -0.301
244 H TYR 32 H TYR 32 4.916 4.594 -1.987
245 HA TYR 32 HA TYR 32 7.156 2.761 -1.986
246 HB2 TYR 32 2HB TYR 32 5.146 2.100 -3.178
247 HB3 TYR 32 1HB TYR 32 5.285 3.523 -4.209
248 HD1 TYR 32 1HD TYR 32 7.125 0.484 -3.173
249 HD2 TYR 32 2HD TYR 32 6.463 3.367 -6.191
250 HE1 TYR 32 1HE TYR 32 8.537 -0.821 -4.707
251 HE2 TYR 32 2HE TYR 32 7.854 2.117 -7.742
252 HH TYR 32 HH TYR 32 8.839 -1.092 -7.100
253 H LEU 33 H LEU 33 9.066 3.377 -2.425
254 HA LEU 33 HA LEU 33 9.655 6.020 -3.354
255 HB2 LEU 33 2HB LEU 33 11.129 4.854 -1.749
256 HB3 LEU 33 1HB LEU 33 11.458 3.619 -2.942
257 HG LEU 33 HG LEU 33 12.584 5.336 -4.350
258 HD11 LEU 33 1HD1 LEU 33 13.197 7.465 -3.353
259 HD12 LEU 33 2HD1 LEU 33 12.234 7.076 -1.929
260 HD13 LEU 33 3HD1 LEU 33 11.442 7.314 -3.487
261 HD21 LEU 33 1HD2 LEU 33 14.596 5.476 -2.986
262 HD22 LEU 33 2HD2 LEU 33 13.857 3.878 -2.857
263 HD23 LEU 33 3HD2 LEU 33 13.663 5.048 -1.554
264 HN1 NH2 34 1H LEU 33 10.927 3.005 -4.633
265 HN2 NH2 34 2H LEU 33 10.609 3.347 -6.297
Start of MODEL 6
1 H1 ASP 1 1HT ASP 1 -10.587 6.124 -6.863
2 H2 ASP 1 2HT ASP 1 -12.228 6.361 -6.494
3 H3 ASP 1 3HT ASP 1 -11.518 4.825 -6.379
4 HA ASP 1 HA ASP 1 -10.667 7.117 -4.772
5 HB2 ASP 1 2HB ASP 1 -12.925 6.441 -4.140
6 HB3 ASP 1 1HB ASP 1 -12.427 4.749 -4.033
7 H CYS 2 H CYS 2 -9.344 6.224 -2.926
8 HA CYS 2 HA CYS 2 -7.864 3.834 -3.686
9 HB2 CYS 2 2HB CYS 2 -5.708 5.094 -3.438
10 HB3 CYS 2 1HB CYS 2 -6.614 5.559 -4.847
11 H LEU 3 H LEU 3 -5.822 4.036 -1.983
12 HA LEU 3 HA LEU 3 -7.071 4.091 0.664
13 HB2 LEU 3 2HB LEU 3 -4.825 2.431 -0.433
14 HB3 LEU 3 1HB LEU 3 -5.330 2.411 1.246
15 HG LEU 3 HG LEU 3 -6.979 1.485 -1.116
16 HD11 LEU 3 1HD1 LEU 3 -5.151 -0.017 -0.586
17 HD12 LEU 3 2HD1 LEU 3 -6.704 -0.729 -0.147
18 HD13 LEU 3 3HD1 LEU 3 -5.660 -0.054 1.103
19 HD21 LEU 3 1HD2 LEU 3 -7.602 1.425 1.839
20 HD22 LEU 3 2HD2 LEU 3 -8.566 0.669 0.571
21 HD23 LEU 3 3HD2 LEU 3 -8.407 2.423 0.628
22 H GLY 4 H GLY 4 -5.456 4.613 2.368
23 HA2 GLY 4 2HA GLY 4 -3.732 6.641 1.275
24 HA3 GLY 4 1HA GLY 4 -4.334 6.632 2.939
25 H TRP 5 H TRP 5 -3.297 5.022 4.458
26 HA TRP 5 HA TRP 5 -0.777 4.166 3.492
27 HB2 TRP 5 2HB TRP 5 -0.795 6.351 4.702
28 HB3 TRP 5 1HB TRP 5 -1.270 5.470 6.120
29 HD1 TRP 5 HD TRP 5 0.812 3.010 5.921
30 HE1 TRP 5 1HE TRP 5 3.289 3.427 6.438
31 HE3 TRP 5 3HE TRP 5 0.952 8.049 5.115
32 HZ2 TRP 5 2HZ TRP 5 5.079 5.622 6.500
33 HZ3 TRP 5 3HZ TRP 5 3.093 9.232 5.427
34 HH2 TRP 5 HH TRP 5 5.105 8.037 6.103
35 H PHE 6 H PHE 6 -2.166 4.050 6.611
36 HA PHE 6 HA PHE 6 -1.274 1.310 6.974
37 HB2 PHE 6 2HB PHE 6 -2.876 3.045 8.878
38 HB3 PHE 6 1HB PHE 6 -2.064 1.535 9.278
39 HD1 PHE 6 1HD PHE 6 0.478 1.497 8.938
40 HD2 PHE 6 2HD PHE 6 -1.843 5.045 9.168
41 HE1 PHE 6 1HE PHE 6 2.473 2.753 9.566
42 HE2 PHE 6 2HE PHE 6 0.161 6.309 9.795
43 HZ PHE 6 HZ PHE 6 2.316 5.165 9.991
44 H LYS 7 H LYS 7 -3.444 1.840 5.093
45 HA LYS 7 HA LYS 7 -5.659 0.323 6.258
46 HB2 LYS 7 2HB LYS 7 -5.325 1.353 3.461
47 HB3 LYS 7 1HB LYS 7 -6.744 0.609 4.116
48 HG2 LYS 7 2HG LYS 7 -5.641 3.271 5.003
49 HG3 LYS 7 1HG LYS 7 -7.071 3.011 4.001
50 HD2 LYS 7 2HD LYS 7 -8.006 1.646 5.913
51 HD3 LYS 7 1HD LYS 7 -6.669 2.252 6.885
52 HE2 LYS 7 2HE LYS 7 -8.767 3.932 5.518
53 HE3 LYS 7 1HE LYS 7 -8.716 3.551 7.232
54 HZ1 LYS 7 1HZ LYS 7 -6.661 4.785 7.411
55 HZ2 LYS 7 2HZ LYS 7 -7.873 5.745 6.790
56 HZ3 LYS 7 3HZ LYS 7 -6.684 5.161 5.761
57 H SER 8 H SER 8 -6.187 -1.734 5.518
58 HA SER 8 HA SER 8 -4.048 -3.358 4.795
59 HB2 SER 8 2HB SER 8 -6.937 -4.020 4.706
60 HB3 SER 8 1HB SER 8 -5.559 -5.009 5.159
61 HG SER 8 HG SER 8 -5.227 -3.732 6.959
62 H CYS 9 H CYS 9 -3.625 -4.102 2.864
63 HA CYS 9 HA CYS 9 -5.524 -3.819 0.690
64 HB2 CYS 9 2HB CYS 9 -4.308 -1.830 0.614
65 HB3 CYS 9 1HB CYS 9 -2.772 -2.724 0.675
66 H ASP 10 H ASP 10 -4.634 -4.789 -1.202
67 HA ASP 10 HA ASP 10 -3.258 -7.303 -0.495
68 HB2 ASP 10 2HB ASP 10 -5.701 -7.591 -1.005
69 HB3 ASP 10 1HB ASP 10 -5.382 -6.967 -2.620
70 HA PRO 11 HA PRO 11 -0.279 -5.635 -3.359
71 HB2 PRO 11 2HB PRO 11 0.884 -8.082 -3.899
72 HB3 PRO 11 1HB PRO 11 1.405 -6.978 -2.599
73 HG2 PRO 11 2HG PRO 11 -0.279 -9.428 -2.528
74 HG3 PRO 11 1HG PRO 11 0.815 -8.780 -1.293
75 HD2 PRO 11 2HD PRO 11 -1.852 -8.611 -1.094
76 HD3 PRO 11 1HD PRO 11 -0.784 -7.336 -0.467
77 H LYS 12 H LYS 12 -2.363 -8.251 -4.132
78 HA LYS 12 HA LYS 12 -1.603 -8.294 -6.953
79 HB2 LYS 12 2HB LYS 12 -3.902 -9.755 -5.676
80 HB3 LYS 12 1HB LYS 12 -3.089 -10.153 -7.180
81 HG2 LYS 12 2HG LYS 12 -1.080 -10.747 -5.901
82 HG3 LYS 12 1HG LYS 12 -1.947 -10.412 -4.403
83 HD2 LYS 12 2HD LYS 12 -2.557 -12.558 -6.444
84 HD3 LYS 12 1HD LYS 12 -1.980 -12.790 -4.797
85 HE2 LYS 12 2HE LYS 12 -4.672 -11.701 -5.631
86 HE3 LYS 12 1HE LYS 12 -4.361 -13.291 -4.954
87 HZ1 LYS 12 1HZ LYS 12 -5.243 -11.794 -3.317
88 HZ2 LYS 12 2HZ LYS 12 -4.045 -10.677 -3.533
89 HZ3 LYS 12 3HZ LYS 12 -3.681 -12.191 -2.871
90 H ASN 13 H ASN 13 -3.685 -6.722 -4.898
91 HA ASN 13 HA ASN 13 -5.375 -5.786 -7.112
92 HB2 ASN 13 2HB ASN 13 -6.445 -7.637 -5.701
93 HB3 ASN 13 1HB ASN 13 -6.453 -6.495 -4.376
94 HD21 ASN 13 1HD2 ASN 13 -7.867 -7.268 -7.463
95 HD22 ASN 13 2HD2 ASN 13 -9.190 -6.185 -7.374
96 H ASP 14 H ASP 14 -3.259 -4.502 -6.320
97 HA ASP 14 HA ASP 14 -3.299 -2.797 -4.120
98 HB2 ASP 14 2HB ASP 14 -1.382 -3.057 -5.651
99 HB3 ASP 14 1HB ASP 14 -2.271 -2.095 -6.843
100 H LYS 15 H LYS 15 -4.433 -1.200 -3.576
101 HA LYS 15 HA LYS 15 -6.166 0.187 -5.499
102 HB2 LYS 15 2HB LYS 15 -6.675 -0.728 -2.693
103 HB3 LYS 15 1HB LYS 15 -7.662 0.488 -3.481
104 HG2 LYS 15 2HG LYS 15 -8.217 -1.164 -5.246
105 HG3 LYS 15 1HG LYS 15 -7.258 -2.368 -4.389
106 HD2 LYS 15 2HD LYS 15 -9.624 -2.672 -3.911
107 HD3 LYS 15 1HD LYS 15 -8.776 -2.160 -2.455
108 HE2 LYS 15 2HE LYS 15 -10.924 -1.007 -2.706
109 HE3 LYS 15 1HE LYS 15 -9.581 0.125 -2.766
110 HZ1 LYS 15 1HZ LYS 15 -11.224 0.616 -4.439
111 HZ2 LYS 15 2HZ LYS 15 -11.110 -0.905 -5.112
112 HZ3 LYS 15 3HZ LYS 15 -9.802 0.161 -5.205
113 H CYS 16 H CYS 16 -3.475 0.871 -4.564
114 HA CYS 16 HA CYS 16 -3.898 3.025 -2.694
115 HB2 CYS 16 2HB CYS 16 -1.481 1.861 -3.994
116 HB3 CYS 16 1HB CYS 16 -1.418 3.302 -2.981
117 H CYS 17 H CYS 17 -3.106 5.161 -3.070
118 HA CYS 17 HA CYS 17 -3.627 6.102 -5.738
119 HB2 CYS 17 2HB CYS 17 -3.592 7.265 -3.039
120 HB3 CYS 17 1HB CYS 17 -2.865 8.287 -4.253
121 H LYS 18 H LYS 18 -2.089 8.162 -5.929
122 HA LYS 18 HA LYS 18 0.357 7.199 -6.940
123 HB2 LYS 18 2HB LYS 18 -0.749 9.120 -7.887
124 HB3 LYS 18 1HB LYS 18 -0.639 9.978 -6.363
125 HG2 LYS 18 2HG LYS 18 0.948 10.853 -7.832
126 HG3 LYS 18 1HG LYS 18 1.764 9.934 -6.553
127 HD2 LYS 18 2HD LYS 18 2.022 8.034 -8.115
128 HD3 LYS 18 1HD LYS 18 1.263 8.989 -9.389
129 HE2 LYS 18 2HE LYS 18 3.855 9.616 -7.976
130 HE3 LYS 18 1HE LYS 18 3.689 9.017 -9.623
131 HZ1 LYS 18 1HZ LYS 18 2.757 11.651 -8.601
132 HZ2 LYS 18 2HZ LYS 18 2.505 11.083 -10.168
133 HZ3 LYS 18 3HZ LYS 18 4.066 11.379 -9.627
134 H ASN 19 H ASN 19 2.302 7.066 -6.238
135 HA ASN 19 HA ASN 19 4.155 7.195 -5.019
136 HB2 ASN 19 2HB ASN 19 2.620 9.300 -3.653
137 HB3 ASN 19 1HB ASN 19 4.052 8.685 -2.809
138 HD21 ASN 19 1HD2 ASN 19 5.272 10.530 -3.004
139 HD22 ASN 19 2HD2 ASN 19 5.793 11.183 -4.504
140 H TYR 20 H TYR 20 1.443 5.728 -4.192
141 HA TYR 20 HA TYR 20 2.802 4.379 -2.026
142 HB2 TYR 20 2HB TYR 20 -0.077 5.213 -2.145
143 HB3 TYR 20 1HB TYR 20 0.522 3.972 -1.081
144 HD1 TYR 20 1HD TYR 20 1.714 4.485 0.909
145 HD2 TYR 20 2HD TYR 20 0.698 7.601 -1.790
146 HE1 TYR 20 1HE TYR 20 2.385 6.130 2.583
147 HE2 TYR 20 2HE TYR 20 1.366 9.267 -0.126
148 HH TYR 20 HH TYR 20 1.616 9.386 2.314
149 H THR 21 H THR 21 2.032 2.286 -1.721
150 HA THR 21 HA THR 21 0.362 0.920 -3.472
151 HB THR 21 HB THR 21 2.114 1.193 -5.023
152 HG1 THR 21 1HG THR 21 1.019 -0.981 -4.573
153 HG21 THR 21 1HG2 THR 21 4.381 0.224 -4.742
154 HG22 THR 21 2HG2 THR 21 3.967 -0.183 -3.075
155 HG23 THR 21 3HG2 THR 21 4.049 1.506 -3.576
156 H CYS 22 H CYS 22 -0.022 -1.076 -2.730
157 HA CYS 22 HA CYS 22 0.772 -1.248 -0.008
158 HB2 CYS 22 2HB CYS 22 -0.860 -3.067 0.101
159 HB3 CYS 22 1HB CYS 22 -1.506 -1.451 -0.226
160 H SER 23 H SER 23 1.808 -2.646 0.987
161 HA SER 23 HA SER 23 3.483 -4.378 -0.655
162 HB2 SER 23 2HB SER 23 4.555 -2.574 0.699
163 HB3 SER 23 1HB SER 23 3.916 -3.303 2.150
164 HG SER 23 HG SER 23 5.743 -4.465 0.326
165 H ARG 24 H ARG 24 4.033 -6.502 0.368
166 HA ARG 24 HA ARG 24 1.675 -7.700 1.622
167 HB2 ARG 24 2HB ARG 24 3.265 -8.602 -0.271
168 HB3 ARG 24 1HB ARG 24 4.213 -9.148 1.123
169 HG2 ARG 24 2HG ARG 24 1.425 -9.994 0.305
170 HG3 ARG 24 1HG ARG 24 2.876 -10.977 0.280
171 HD2 ARG 24 2HD ARG 24 1.431 -9.931 2.712
172 HD3 ARG 24 1HD ARG 24 1.429 -11.591 2.122
173 HE ARG 24 HE ARG 24 4.072 -10.732 2.656
174 HH11 ARG 24 1HH1 ARG 24 1.175 -11.944 4.256
175 HH12 ARG 24 2HH1 ARG 24 1.957 -12.290 5.729
176 HH21 ARG 24 1HH2 ARG 24 5.160 -11.221 4.669
177 HH22 ARG 24 2HH2 ARG 24 4.273 -11.936 5.942
178 H ARG 25 H ARG 25 5.056 -6.922 2.235
179 HA ARG 25 HA ARG 25 5.580 -8.265 4.594
180 HB2 ARG 25 2HB ARG 25 7.165 -6.933 3.179
181 HB3 ARG 25 1HB ARG 25 6.456 -5.475 3.860
182 HG2 ARG 25 2HG ARG 25 7.078 -6.415 6.099
183 HG3 ARG 25 1HG ARG 25 8.048 -7.590 5.185
184 HD2 ARG 25 2HD ARG 25 9.455 -5.750 5.856
185 HD3 ARG 25 1HD ARG 25 9.226 -5.701 4.104
186 HE ARG 25 HE ARG 25 7.256 -4.097 5.040
187 HH11 ARG 25 1HH1 ARG 25 10.769 -4.081 5.464
188 HH12 ARG 25 2HH1 ARG 25 10.844 -2.428 5.849
189 HH21 ARG 25 1HH2 ARG 25 7.347 -1.913 5.620
190 HH22 ARG 25 2HH2 ARG 25 8.846 -1.153 5.957
191 H ASP 26 H ASP 26 4.287 -5.090 4.010
192 HA ASP 26 HA ASP 26 3.730 -4.560 6.785
193 HB2 ASP 26 2HB ASP 26 3.217 -2.905 4.315
194 HB3 ASP 26 1HB ASP 26 3.196 -2.373 5.975
195 H ARG 27 H ARG 27 2.077 -5.676 3.881
196 HA ARG 27 HA ARG 27 0.147 -5.654 3.063
197 HB2 ARG 27 2HB ARG 27 -0.656 -6.483 5.840
198 HB3 ARG 27 1HB ARG 27 -1.662 -6.507 4.386
199 HG2 ARG 27 2HG ARG 27 0.206 -7.902 3.348
200 HG3 ARG 27 1HG ARG 27 0.708 -8.201 5.009
201 HD2 ARG 27 2HD ARG 27 -0.756 -9.962 4.300
202 HD3 ARG 27 1HD ARG 27 -1.607 -8.962 5.490
203 HE ARG 27 HE ARG 27 -1.905 -8.663 2.604
204 HH11 ARG 27 1HH1 ARG 27 -3.397 -9.075 5.796
205 HH12 ARG 27 2HH1 ARG 27 -4.944 -8.568 5.316
206 HH21 ARG 27 1HH2 ARG 27 -4.091 -7.911 1.950
207 HH22 ARG 27 2HH2 ARG 27 -5.345 -7.883 3.085
208 H TRP 28 H TRP 28 0.882 -3.046 4.319
209 HA TRP 28 HA TRP 28 -1.788 -1.968 4.052
210 HB2 TRP 28 2HB TRP 28 -1.101 -0.016 5.389
211 HB3 TRP 28 1HB TRP 28 -0.881 -1.497 6.263
212 HD1 TRP 28 HD TRP 28 1.737 0.143 3.920
213 HE1 TRP 28 1HE TRP 28 3.818 0.706 5.399
214 HE3 TRP 28 3HE TRP 28 -0.129 -1.185 8.357
215 HZ2 TRP 28 2HZ TRP 28 4.505 0.585 8.142
216 HZ3 TRP 28 3HZ TRP 28 1.206 -0.947 10.381
217 HH2 TRP 28 HH TRP 28 3.510 -0.068 10.280
218 H CYS 29 H CYS 29 -1.488 0.434 3.315
219 HA CYS 29 HA CYS 29 -0.267 0.242 0.726
220 HB2 CYS 29 2HB CYS 29 -2.550 1.223 1.166
221 HB3 CYS 29 1HB CYS 29 -1.756 2.524 2.043
222 H LYS 30 H LYS 30 1.896 0.458 0.826
223 HA LYS 30 HA LYS 30 3.015 2.250 2.791
224 HB2 LYS 30 2HB LYS 30 3.676 -0.146 2.778
225 HB3 LYS 30 1HB LYS 30 4.273 0.061 1.138
226 HG2 LYS 30 2HG LYS 30 5.942 1.513 1.832
227 HG3 LYS 30 1HG LYS 30 5.274 1.618 3.480
228 HD2 LYS 30 2HD LYS 30 7.193 0.196 3.525
229 HD3 LYS 30 1HD LYS 30 5.762 -0.809 3.706
230 HE2 LYS 30 2HE LYS 30 5.870 -1.297 1.270
231 HE3 LYS 30 1HE LYS 30 7.387 -0.405 1.210
232 HZ1 LYS 30 1HZ LYS 30 8.363 -1.927 2.726
233 HZ2 LYS 30 2HZ LYS 30 7.704 -2.795 1.441
234 HZ3 LYS 30 3HZ LYS 30 6.893 -2.748 2.942
235 H TYR 31 H TYR 31 4.873 3.495 2.056
236 HA TYR 31 HA TYR 31 4.250 5.030 -0.222
237 HB2 TYR 31 2HB TYR 31 5.417 5.770 1.924
238 HB3 TYR 31 1HB TYR 31 6.854 4.984 1.283
239 HD1 TYR 31 1HD TYR 31 4.298 7.497 0.299
240 HD2 TYR 31 2HD TYR 31 8.369 6.298 0.111
241 HE1 TYR 31 1HE TYR 31 4.843 9.590 -0.822
242 HE2 TYR 31 2HE TYR 31 8.938 8.390 -1.031
243 HH TYR 31 HH TYR 31 7.836 10.134 -2.356
244 H TYR 32 H TYR 32 5.066 4.948 -2.174
245 HA TYR 32 HA TYR 32 6.356 2.591 -3.101
246 HB2 TYR 32 2HB TYR 32 4.705 3.591 -4.501
247 HB3 TYR 32 1HB TYR 32 5.476 5.161 -4.374
248 HD1 TYR 32 1HD TYR 32 7.015 5.856 -5.938
249 HD2 TYR 32 2HD TYR 32 5.910 1.764 -5.824
250 HE1 TYR 32 1HE TYR 32 8.185 5.507 -8.042
251 HE2 TYR 32 2HE TYR 32 7.094 1.383 -7.947
252 HH TYR 32 HH TYR 32 7.804 2.734 -9.928
253 H LEU 33 H LEU 33 8.404 2.293 -3.482
254 HA LEU 33 HA LEU 33 10.282 4.406 -2.793
255 HB2 LEU 33 2HB LEU 33 10.797 1.471 -3.356
256 HB3 LEU 33 1HB LEU 33 12.037 2.625 -2.938
257 HG LEU 33 HG LEU 33 11.644 1.370 -1.007
258 HD11 LEU 33 1HD1 LEU 33 10.804 2.931 0.635
259 HD12 LEU 33 2HD1 LEU 33 10.118 3.920 -0.651
260 HD13 LEU 33 3HD1 LEU 33 11.866 3.702 -0.543
261 HD21 LEU 33 1HD2 LEU 33 9.438 1.021 0.019
262 HD22 LEU 33 2HD2 LEU 33 9.544 0.311 -1.593
263 HD23 LEU 33 3HD2 LEU 33 8.688 1.834 -1.354
264 HN1 NH2 34 1H LEU 33 10.540 1.881 -5.224
265 HN2 NH2 34 2H LEU 33 10.934 2.933 -6.533
Start of MODEL 7
1 H1 ASP 1 1HT ASP 1 -11.750 6.983 -2.096
2 H2 ASP 1 2HT ASP 1 -12.748 7.124 -3.441
3 H3 ASP 1 3HT ASP 1 -11.380 8.121 -3.274
4 HA ASP 1 HA ASP 1 -11.308 5.194 -3.536
5 HB2 ASP 1 2HB ASP 1 -10.803 7.373 -5.555
6 HB3 ASP 1 1HB ASP 1 -10.180 5.736 -5.755
7 H CYS 2 H CYS 2 -9.106 4.474 -4.134
8 HA CYS 2 HA CYS 2 -7.259 3.920 -3.329
9 HB2 CYS 2 2HB CYS 2 -5.383 5.406 -3.502
10 HB3 CYS 2 1HB CYS 2 -6.338 5.371 -4.942
11 H LEU 3 H LEU 3 -5.314 4.483 -1.858
12 HA LEU 3 HA LEU 3 -6.542 4.840 0.783
13 HB2 LEU 3 2HB LEU 3 -4.296 3.039 -0.055
14 HB3 LEU 3 1HB LEU 3 -4.941 3.188 1.566
15 HG LEU 3 HG LEU 3 -6.336 2.015 -0.834
16 HD11 LEU 3 1HD1 LEU 3 -6.190 -0.076 0.423
17 HD12 LEU 3 2HD1 LEU 3 -5.257 0.751 1.670
18 HD13 LEU 3 3HD1 LEU 3 -4.609 0.600 0.036
19 HD21 LEU 3 1HD2 LEU 3 -8.114 1.366 0.748
20 HD22 LEU 3 2HD2 LEU 3 -7.971 3.111 0.571
21 HD23 LEU 3 3HD2 LEU 3 -7.323 2.318 2.008
22 H GLY 4 H GLY 4 -4.904 5.416 2.404
23 HA2 GLY 4 2HA GLY 4 -2.886 7.056 1.203
24 HA3 GLY 4 1HA GLY 4 -3.392 7.180 2.910
25 H TRP 5 H TRP 5 -2.137 6.026 4.415
26 HA TRP 5 HA TRP 5 -0.323 4.176 3.243
27 HB2 TRP 5 2HB TRP 5 0.647 6.204 4.376
28 HB3 TRP 5 1HB TRP 5 0.026 5.539 5.879
29 HD1 TRP 5 HD TRP 5 0.866 2.593 5.741
30 HE1 TRP 5 1HE TRP 5 3.320 1.840 5.761
31 HE3 TRP 5 3HE TRP 5 2.988 6.925 4.147
32 HZ2 TRP 5 2HZ TRP 5 5.860 2.978 5.170
33 HZ3 TRP 5 3HZ TRP 5 5.434 7.024 3.899
34 HH2 TRP 5 HH TRP 5 6.836 5.086 4.403
35 H PHE 6 H PHE 6 -1.683 4.617 6.350
36 HA PHE 6 HA PHE 6 -1.314 1.807 6.949
37 HB2 PHE 6 2HB PHE 6 -2.571 3.974 8.654
38 HB3 PHE 6 1HB PHE 6 -2.128 2.359 9.212
39 HD1 PHE 6 1HD PHE 6 -1.042 5.694 8.561
40 HD2 PHE 6 2HD PHE 6 0.273 1.706 9.181
41 HE1 PHE 6 1HE PHE 6 1.211 6.521 9.076
42 HE2 PHE 6 2HE PHE 6 2.505 2.513 9.700
43 HZ PHE 6 HZ PHE 6 2.983 4.924 9.651
44 H LYS 7 H LYS 7 -3.175 2.284 4.927
45 HA LYS 7 HA LYS 7 -5.633 1.167 6.078
46 HB2 LYS 7 2HB LYS 7 -5.031 2.094 3.291
47 HB3 LYS 7 1HB LYS 7 -6.571 1.508 3.851
48 HG2 LYS 7 2HG LYS 7 -5.241 4.016 4.870
49 HG3 LYS 7 1HG LYS 7 -6.505 3.984 3.643
50 HD2 LYS 7 2HD LYS 7 -6.785 3.016 6.502
51 HD3 LYS 7 1HD LYS 7 -7.397 4.540 5.865
52 HE2 LYS 7 2HE LYS 7 -8.827 3.273 4.287
53 HE3 LYS 7 1HE LYS 7 -8.247 1.775 5.007
54 HZ1 LYS 7 1HZ LYS 7 -9.756 3.901 6.399
55 HZ2 LYS 7 2HZ LYS 7 -9.203 2.475 7.124
56 HZ3 LYS 7 3HZ LYS 7 -10.370 2.407 5.910
57 H SER 8 H SER 8 -6.312 -0.890 5.213
58 HA SER 8 HA SER 8 -4.127 -2.570 4.751
59 HB2 SER 8 2HB SER 8 -7.035 -3.132 4.701
60 HB3 SER 8 1HB SER 8 -5.707 -4.204 5.095
61 HG SER 8 HG SER 8 -5.192 -2.750 6.844
62 H CYS 9 H CYS 9 -3.691 -3.582 2.951
63 HA CYS 9 HA CYS 9 -5.397 -3.462 0.613
64 HB2 CYS 9 2HB CYS 9 -4.205 -1.461 0.424
65 HB3 CYS 9 1HB CYS 9 -2.656 -2.300 0.684
66 H ASP 10 H ASP 10 -4.292 -4.597 -1.133
67 HA ASP 10 HA ASP 10 -2.519 -6.760 -0.301
68 HB2 ASP 10 2HB ASP 10 -4.815 -7.572 -0.043
69 HB3 ASP 10 1HB ASP 10 -5.146 -7.172 -1.708
70 HA PRO 11 HA PRO 11 -0.522 -5.615 -4.049
71 HB2 PRO 11 2HB PRO 11 0.291 -8.189 -4.791
72 HB3 PRO 11 1HB PRO 11 1.201 -7.082 -3.740
73 HG2 PRO 11 2HG PRO 11 -0.638 -9.309 -3.034
74 HG3 PRO 11 1HG PRO 11 0.897 -8.829 -2.285
75 HD2 PRO 11 2HD PRO 11 -1.386 -8.240 -1.127
76 HD3 PRO 11 1HD PRO 11 -0.084 -7.025 -1.173
77 H LYS 12 H LYS 12 -2.838 -8.277 -4.196
78 HA LYS 12 HA LYS 12 -3.062 -8.003 -7.101
79 HB2 LYS 12 2HB LYS 12 -4.469 -9.798 -5.156
80 HB3 LYS 12 1HB LYS 12 -4.701 -9.854 -6.891
81 HG2 LYS 12 2HG LYS 12 -2.324 -10.415 -7.189
82 HG3 LYS 12 1HG LYS 12 -2.113 -10.421 -5.438
83 HD2 LYS 12 2HD LYS 12 -3.818 -12.219 -5.296
84 HD3 LYS 12 1HD LYS 12 -3.900 -12.240 -7.058
85 HE2 LYS 12 2HE LYS 12 -2.447 -14.022 -6.295
86 HE3 LYS 12 1HE LYS 12 -1.497 -12.799 -7.134
87 HZ1 LYS 12 1HZ LYS 12 -1.743 -13.093 -4.195
88 HZ2 LYS 12 2HZ LYS 12 -0.853 -11.902 -4.950
89 HZ3 LYS 12 3HZ LYS 12 -0.391 -13.513 -5.105
90 H ASN 13 H ASN 13 -4.289 -6.556 -4.432
91 HA ASN 13 HA ASN 13 -6.781 -5.817 -5.796
92 HB2 ASN 13 2HB ASN 13 -7.070 -7.633 -4.080
93 HB3 ASN 13 1HB ASN 13 -6.421 -6.526 -2.897
94 HD21 ASN 13 1HD2 ASN 13 -8.225 -6.838 -1.759
95 HD22 ASN 13 2HD2 ASN 13 -9.714 -6.010 -2.062
96 H ASP 14 H ASP 14 -4.494 -4.565 -5.928
97 HA ASP 14 HA ASP 14 -3.734 -2.708 -4.001
98 HB2 ASP 14 2HB ASP 14 -2.343 -3.183 -5.912
99 HB3 ASP 14 1HB ASP 14 -3.540 -2.447 -6.988
100 H LYS 15 H LYS 15 -4.512 -1.012 -3.296
101 HA LYS 15 HA LYS 15 -6.618 0.475 -4.707
102 HB2 LYS 15 2HB LYS 15 -6.244 -0.064 -1.774
103 HB3 LYS 15 1HB LYS 15 -7.440 1.016 -2.461
104 HG2 LYS 15 2HG LYS 15 -8.542 -0.864 -3.525
105 HG3 LYS 15 1HG LYS 15 -7.290 -1.955 -2.924
106 HD2 LYS 15 2HD LYS 15 -7.911 -1.409 -0.629
107 HD3 LYS 15 1HD LYS 15 -9.152 -0.304 -1.218
108 HE2 LYS 15 2HE LYS 15 -9.043 -3.279 -1.685
109 HE3 LYS 15 1HE LYS 15 -10.114 -2.443 -0.561
110 HZ1 LYS 15 1HZ LYS 15 -10.112 -2.180 -3.514
111 HZ2 LYS 15 2HZ LYS 15 -11.076 -1.277 -2.470
112 HZ3 LYS 15 3HZ LYS 15 -11.272 -2.948 -2.567
113 H CYS 16 H CYS 16 -3.598 0.650 -4.457
114 HA CYS 16 HA CYS 16 -3.233 2.865 -2.700
115 HB2 CYS 16 2HB CYS 16 -1.373 1.213 -4.335
116 HB3 CYS 16 1HB CYS 16 -0.848 2.726 -3.590
117 H CYS 17 H CYS 17 -2.380 4.836 -3.234
118 HA CYS 17 HA CYS 17 -3.470 5.754 -5.769
119 HB2 CYS 17 2HB CYS 17 -3.698 6.740 -3.175
120 HB3 CYS 17 1HB CYS 17 -2.510 7.783 -3.918
121 H LYS 18 H LYS 18 -1.994 8.160 -5.804
122 HA LYS 18 HA LYS 18 0.212 7.364 -7.356
123 HB2 LYS 18 2HB LYS 18 -1.108 9.397 -7.766
124 HB3 LYS 18 1HB LYS 18 -0.577 10.041 -6.220
125 HG2 LYS 18 2HG LYS 18 0.677 11.048 -7.946
126 HG3 LYS 18 1HG LYS 18 1.703 9.956 -6.998
127 HD2 LYS 18 2HD LYS 18 1.420 8.221 -8.754
128 HD3 LYS 18 1HD LYS 18 0.497 9.374 -9.712
129 HE2 LYS 18 2HE LYS 18 2.417 10.823 -9.904
130 HE3 LYS 18 1HE LYS 18 3.350 9.780 -8.830
131 HZ1 LYS 18 1HZ LYS 18 2.315 9.039 -11.513
132 HZ2 LYS 18 2HZ LYS 18 3.138 8.005 -10.491
133 HZ3 LYS 18 3HZ LYS 18 3.924 9.355 -11.134
134 H ASN 19 H ASN 19 2.162 6.955 -6.886
135 HA ASN 19 HA ASN 19 4.143 6.803 -5.877
136 HB2 ASN 19 2HB ASN 19 3.016 8.952 -4.178
137 HB3 ASN 19 1HB ASN 19 4.638 8.303 -3.880
138 HD21 ASN 19 1HD2 ASN 19 4.006 10.987 -4.422
139 HD22 ASN 19 2HD2 ASN 19 4.676 11.419 -5.947
140 H TYR 20 H TYR 20 1.537 5.503 -4.806
141 HA TYR 20 HA TYR 20 2.832 4.407 -2.420
142 HB2 TYR 20 2HB TYR 20 -0.084 4.735 -3.038
143 HB3 TYR 20 1HB TYR 20 0.513 3.692 -1.785
144 HD1 TYR 20 1HD TYR 20 -0.012 7.205 -2.744
145 HD2 TYR 20 2HD TYR 20 1.430 4.582 0.276
146 HE1 TYR 20 1HE TYR 20 -0.062 9.043 -1.127
147 HE2 TYR 20 2HE TYR 20 1.398 6.407 1.895
148 HH TYR 20 HH TYR 20 -0.187 9.346 1.295
149 H THR 21 H THR 21 2.238 2.157 -1.990
150 HA THR 21 HA THR 21 1.276 0.417 -4.044
151 HB THR 21 HB THR 21 4.111 0.115 -3.176
152 HG1 THR 21 1HG THR 21 3.083 1.691 -5.146
153 HG21 THR 21 1HG2 THR 21 2.571 -1.222 -5.405
154 HG22 THR 21 2HG2 THR 21 3.056 -1.940 -3.871
155 HG23 THR 21 3HG2 THR 21 4.279 -1.503 -5.065
156 H CYS 22 H CYS 22 0.629 -1.475 -2.886
157 HA CYS 22 HA CYS 22 1.143 -1.097 -0.130
158 HB2 CYS 22 2HB CYS 22 -0.642 -2.765 0.196
159 HB3 CYS 22 1HB CYS 22 -1.158 -1.184 -0.400
160 H SER 23 H SER 23 1.962 -2.348 1.206
161 HA SER 23 HA SER 23 3.787 -4.305 0.233
162 HB2 SER 23 2HB SER 23 4.456 -2.765 2.043
163 HB3 SER 23 1HB SER 23 3.106 -3.309 3.019
164 HG SER 23 HG SER 23 5.118 -4.305 3.604
165 H ARG 24 H ARG 24 3.664 -6.489 0.770
166 HA ARG 24 HA ARG 24 0.969 -7.464 1.356
167 HB2 ARG 24 2HB ARG 24 2.661 -8.224 -0.524
168 HB3 ARG 24 1HB ARG 24 3.332 -9.161 0.807
169 HG2 ARG 24 2HG ARG 24 0.500 -9.386 -0.230
170 HG3 ARG 24 1HG ARG 24 1.799 -10.493 -0.634
171 HD2 ARG 24 2HD ARG 24 0.575 -9.990 2.051
172 HD3 ARG 24 1HD ARG 24 0.361 -11.423 1.038
173 HE ARG 24 HE ARG 24 3.090 -11.104 1.505
174 HH11 ARG 24 1HH1 ARG 24 0.205 -12.086 3.308
175 HH12 ARG 24 2HH1 ARG 24 1.082 -12.799 4.582
176 HH21 ARG 24 1HH2 ARG 24 4.258 -12.058 3.253
177 HH22 ARG 24 2HH2 ARG 24 3.437 -12.792 4.558
178 H ARG 25 H ARG 25 4.283 -7.387 2.459
179 HA ARG 25 HA ARG 25 4.268 -9.177 4.587
180 HB2 ARG 25 2HB ARG 25 6.245 -8.025 3.559
181 HB3 ARG 25 1HB ARG 25 5.737 -6.548 4.369
182 HG2 ARG 25 2HG ARG 25 5.922 -7.830 6.507
183 HG3 ARG 25 1HG ARG 25 6.718 -9.085 5.540
184 HD2 ARG 25 2HD ARG 25 8.433 -7.723 6.518
185 HD3 ARG 25 1HD ARG 25 8.356 -7.370 4.790
186 HE ARG 25 HE ARG 25 6.725 -5.506 5.856
187 HH11 ARG 25 1HH1 ARG 25 10.127 -6.298 6.362
188 HH12 ARG 25 2HH1 ARG 25 10.503 -4.800 7.087
189 HH21 ARG 25 1HH2 ARG 25 7.199 -3.546 6.903
190 HH22 ARG 25 2HH2 ARG 25 8.788 -3.185 7.429
191 H ASP 26 H ASP 26 3.780 -5.703 4.453
192 HA ASP 26 HA ASP 26 2.918 -5.532 7.204
193 HB2 ASP 26 2HB ASP 26 3.166 -3.417 5.076
194 HB3 ASP 26 1HB ASP 26 2.987 -3.176 6.800
195 H ARG 27 H ARG 27 1.554 -5.891 4.038
196 HA ARG 27 HA ARG 27 -0.204 -5.318 3.037
197 HB2 ARG 27 2HB ARG 27 -1.016 -6.912 5.313
198 HB3 ARG 27 1HB ARG 27 -2.309 -6.038 4.470
199 HG2 ARG 27 2HG ARG 27 -1.567 -7.038 2.365
200 HG3 ARG 27 1HG ARG 27 -0.303 -7.902 3.234
201 HD2 ARG 27 2HD ARG 27 -1.877 -9.238 4.374
202 HD3 ARG 27 1HD ARG 27 -3.224 -8.211 3.874
203 HE ARG 27 HE ARG 27 -2.648 -8.967 1.540
204 HH11 ARG 27 1HH1 ARG 27 -2.092 -11.091 4.331
205 HH12 ARG 27 2HH1 ARG 27 -2.225 -12.507 3.393
206 HH21 ARG 27 1HH2 ARG 27 -2.842 -10.864 0.351
207 HH22 ARG 27 2HH2 ARG 27 -2.623 -12.399 1.089
208 H TRP 28 H TRP 28 0.721 -3.030 4.364
209 HA TRP 28 HA TRP 28 -1.792 -1.567 4.163
210 HB2 TRP 28 2HB TRP 28 -0.657 0.324 5.373
211 HB3 TRP 28 1HB TRP 28 -0.862 -1.122 6.320
212 HD1 TRP 28 HD TRP 28 2.162 -0.518 3.984
213 HE1 TRP 28 1HE TRP 28 4.288 -0.443 5.521
214 HE3 TRP 28 3HE TRP 28 -0.134 -0.720 8.448
215 HZ2 TRP 28 2HZ TRP 28 4.835 -0.441 8.295
216 HZ3 TRP 28 3HZ TRP 28 1.195 -0.670 10.515
217 HH2 TRP 28 HH TRP 28 3.645 -0.530 10.436
218 H CYS 29 H CYS 29 -1.331 0.704 3.288
219 HA CYS 29 HA CYS 29 -0.076 0.277 0.674
220 HB2 CYS 29 2HB CYS 29 -2.414 1.220 0.956
221 HB3 CYS 29 1HB CYS 29 -1.676 2.621 1.717
222 H LYS 30 H LYS 30 2.019 0.509 0.744
223 HA LYS 30 HA LYS 30 3.206 2.248 2.694
224 HB2 LYS 30 2HB LYS 30 3.893 -0.147 2.225
225 HB3 LYS 30 1HB LYS 30 4.453 0.402 0.656
226 HG2 LYS 30 2HG LYS 30 5.990 1.946 1.812
227 HG3 LYS 30 1HG LYS 30 5.438 1.229 3.340
228 HD2 LYS 30 2HD LYS 30 6.218 -0.961 2.618
229 HD3 LYS 30 1HD LYS 30 6.771 -0.276 1.090
230 HE2 LYS 30 2HE LYS 30 8.321 1.186 2.351
231 HE3 LYS 30 1HE LYS 30 7.795 0.414 3.844
232 HZ1 LYS 30 1HZ LYS 30 9.813 -0.609 3.120
233 HZ2 LYS 30 2HZ LYS 30 9.210 -0.868 1.579
234 HZ3 LYS 30 3HZ LYS 30 8.566 -1.714 2.881
235 H TYR 31 H TYR 31 4.422 4.035 2.061
236 HA TYR 31 HA TYR 31 3.803 5.174 -0.485
237 HB2 TYR 31 2HB TYR 31 4.267 6.436 1.697
238 HB3 TYR 31 1HB TYR 31 5.962 6.052 1.396
239 HD1 TYR 31 1HD TYR 31 3.047 7.588 -0.278
240 HD2 TYR 31 2HD TYR 31 7.253 7.587 0.224
241 HE1 TYR 31 1HE TYR 31 3.187 9.591 -1.656
242 HE2 TYR 31 2HE TYR 31 7.425 9.610 -1.169
243 HH TYR 31 HH TYR 31 6.098 10.791 -2.895
244 H TYR 32 H TYR 32 4.947 4.952 -2.279
245 HA TYR 32 HA TYR 32 7.199 3.168 -2.168
246 HB2 TYR 32 2HB TYR 32 5.476 2.770 -3.866
247 HB3 TYR 32 1HB TYR 32 5.763 4.373 -4.541
248 HD1 TYR 32 1HD TYR 32 7.467 1.187 -3.786
249 HD2 TYR 32 2HD TYR 32 7.347 4.652 -6.210
250 HE1 TYR 32 1HE TYR 32 9.253 0.254 -5.169
251 HE2 TYR 32 2HE TYR 32 9.131 3.757 -7.622
252 HH TYR 32 HH TYR 32 10.917 2.146 -7.523
253 H LEU 33 H LEU 33 9.216 3.745 -2.423
254 HA LEU 33 HA LEU 33 9.767 6.577 -2.750
255 HB2 LEU 33 2HB LEU 33 11.640 4.335 -1.937
256 HB3 LEU 33 1HB LEU 33 12.065 6.026 -2.027
257 HG LEU 33 HG LEU 33 11.830 5.600 0.241
258 HD11 LEU 33 1HD1 LEU 33 10.746 7.645 -0.335
259 HD12 LEU 33 2HD1 LEU 33 9.907 6.874 1.009
260 HD13 LEU 33 3HD1 LEU 33 9.224 6.799 -0.612
261 HD21 LEU 33 1HD2 LEU 33 10.766 3.422 0.156
262 HD22 LEU 33 2HD2 LEU 33 9.239 4.164 -0.315
263 HD23 LEU 33 3HD2 LEU 33 9.910 4.471 1.287
264 HN1 NH2 34 1H LEU 33 9.546 6.884 -4.892
265 HN2 NH2 34 2H LEU 33 10.492 6.094 -6.104
Start of MODEL 8
1 H1 ASP 1 1HT ASP 1 -12.368 4.160 -5.871
2 H2 ASP 1 2HT ASP 1 -11.581 3.126 -4.752
3 H3 ASP 1 3HT ASP 1 -10.941 3.343 -6.295
4 HA ASP 1 HA ASP 1 -10.514 5.636 -5.850
5 HB2 ASP 1 2HB ASP 1 -11.481 4.884 -3.089
6 HB3 ASP 1 1HB ASP 1 -10.583 6.352 -3.439
7 H CYS 2 H CYS 2 -8.634 6.223 -4.122
8 HA CYS 2 HA CYS 2 -7.017 3.810 -4.069
9 HB2 CYS 2 2HB CYS 2 -5.120 5.284 -3.619
10 HB3 CYS 2 1HB CYS 2 -5.874 5.633 -5.146
11 H LEU 3 H LEU 3 -5.365 4.074 -2.149
12 HA LEU 3 HA LEU 3 -7.014 4.304 0.268
13 HB2 LEU 3 2HB LEU 3 -4.748 2.417 -0.315
14 HB3 LEU 3 1HB LEU 3 -5.578 2.553 1.220
15 HG LEU 3 HG LEU 3 -6.779 1.602 -1.369
16 HD11 LEU 3 1HD1 LEU 3 -6.880 -0.570 -0.214
17 HD12 LEU 3 2HD1 LEU 3 -6.023 0.135 1.158
18 HD13 LEU 3 3HD1 LEU 3 -5.228 0.011 -0.412
19 HD21 LEU 3 1HD2 LEU 3 -7.978 1.766 1.397
20 HD22 LEU 3 2HD2 LEU 3 -8.730 1.005 -0.005
21 HD23 LEU 3 3HD2 LEU 3 -8.436 2.743 0.001
22 H GLY 4 H GLY 4 -5.695 4.757 2.226
23 HA2 GLY 4 2HA GLY 4 -3.516 6.390 1.464
24 HA3 GLY 4 1HA GLY 4 -4.401 6.520 3.004
25 H TRP 5 H TRP 5 -2.213 6.301 3.838
26 HA TRP 5 HA TRP 5 -0.515 4.230 3.246
27 HB2 TRP 5 2HB TRP 5 0.303 6.303 4.201
28 HB3 TRP 5 1HB TRP 5 -0.557 5.973 5.689
29 HD1 TRP 5 HD TRP 5 0.916 2.757 5.153
30 HE1 TRP 5 1HE TRP 5 3.194 2.490 6.281
31 HE3 TRP 5 3HE TRP 5 1.950 7.684 5.952
32 HZ2 TRP 5 2HZ TRP 5 5.197 4.182 7.372
33 HZ3 TRP 5 3HZ TRP 5 4.070 8.279 7.039
34 HH2 TRP 5 HH TRP 5 5.655 6.570 7.733
35 H PHE 6 H PHE 6 -2.080 4.624 6.245
36 HA PHE 6 HA PHE 6 -1.495 1.862 6.995
37 HB2 PHE 6 2HB PHE 6 -2.899 4.075 8.475
38 HB3 PHE 6 1HB PHE 6 -2.489 2.509 9.201
39 HD1 PHE 6 1HD PHE 6 0.088 1.952 9.035
40 HD2 PHE 6 2HD PHE 6 -1.580 5.854 8.812
41 HE1 PHE 6 1HE PHE 6 2.223 2.910 9.757
42 HE2 PHE 6 2HE PHE 6 0.551 6.814 9.525
43 HZ PHE 6 HZ PHE 6 2.448 5.348 10.002
44 H LYS 7 H LYS 7 -3.417 2.346 4.880
45 HA LYS 7 HA LYS 7 -5.784 1.056 6.026
46 HB2 LYS 7 2HB LYS 7 -5.188 1.864 3.190
47 HB3 LYS 7 1HB LYS 7 -6.679 1.177 3.753
48 HG2 LYS 7 2HG LYS 7 -5.633 3.840 4.694
49 HG3 LYS 7 1HG LYS 7 -6.841 3.630 3.422
50 HD2 LYS 7 2HD LYS 7 -8.312 2.492 5.013
51 HD3 LYS 7 1HD LYS 7 -7.110 2.709 6.285
52 HE2 LYS 7 2HE LYS 7 -7.330 5.129 6.075
53 HE3 LYS 7 1HE LYS 7 -8.523 4.921 4.794
54 HZ1 LYS 7 1HZ LYS 7 -9.979 3.839 6.361
55 HZ2 LYS 7 2HZ LYS 7 -9.517 5.347 6.977
56 HZ3 LYS 7 3HZ LYS 7 -8.807 3.947 7.574
57 H SER 8 H SER 8 -6.319 -1.090 5.295
58 HA SER 8 HA SER 8 -3.996 -2.594 4.780
59 HB2 SER 8 2HB SER 8 -6.845 -3.351 5.069
60 HB3 SER 8 1HB SER 8 -5.438 -4.383 5.190
61 HG SER 8 HG SER 8 -5.052 -2.396 6.878
62 H CYS 9 H CYS 9 -3.662 -3.636 2.996
63 HA CYS 9 HA CYS 9 -5.558 -3.562 0.799
64 HB2 CYS 9 2HB CYS 9 -4.271 -1.613 0.547
65 HB3 CYS 9 1HB CYS 9 -2.768 -2.523 0.745
66 H ASP 10 H ASP 10 -4.381 -4.723 -1.007
67 HA ASP 10 HA ASP 10 -2.761 -6.975 -0.072
68 HB2 ASP 10 2HB ASP 10 -5.244 -7.595 -0.101
69 HB3 ASP 10 1HB ASP 10 -5.155 -7.411 -1.849
70 HA PRO 11 HA PRO 11 -0.600 -5.166 -3.591
71 HB2 PRO 11 2HB PRO 11 0.976 -7.526 -3.855
72 HB3 PRO 11 1HB PRO 11 1.438 -6.002 -3.089
73 HG2 PRO 11 2HG PRO 11 0.326 -8.483 -1.878
74 HG3 PRO 11 1HG PRO 11 1.479 -7.322 -1.178
75 HD2 PRO 11 2HD PRO 11 -0.988 -7.481 -0.368
76 HD3 PRO 11 1HD PRO 11 -0.243 -5.881 -0.571
77 H LYS 12 H LYS 12 -2.045 -8.375 -3.679
78 HA LYS 12 HA LYS 12 -1.817 -8.704 -6.515
79 HB2 LYS 12 2HB LYS 12 -3.827 -9.945 -4.643
80 HB3 LYS 12 1HB LYS 12 -3.555 -10.433 -6.305
81 HG2 LYS 12 2HG LYS 12 -1.214 -11.058 -5.665
82 HG3 LYS 12 1HG LYS 12 -1.646 -10.669 -4.002
83 HD2 LYS 12 2HD LYS 12 -1.787 -13.072 -4.398
84 HD3 LYS 12 1HD LYS 12 -3.369 -12.400 -4.020
85 HE2 LYS 12 2HE LYS 12 -3.513 -14.024 -5.821
86 HE3 LYS 12 1HE LYS 12 -3.942 -12.428 -6.415
87 HZ1 LYS 12 1HZ LYS 12 -1.712 -12.250 -7.385
88 HZ2 LYS 12 2HZ LYS 12 -2.525 -13.611 -7.951
89 HZ3 LYS 12 3HZ LYS 12 -1.320 -13.782 -6.782
90 H ASN 13 H ASN 13 -3.874 -7.023 -4.477
91 HA ASN 13 HA ASN 13 -5.615 -6.196 -6.695
92 HB2 ASN 13 2HB ASN 13 -6.665 -7.923 -5.231
93 HB3 ASN 13 1HB ASN 13 -6.421 -6.875 -3.859
94 HD21 ASN 13 1HD2 ASN 13 -8.633 -6.954 -3.477
95 HD22 ASN 13 2HD2 ASN 13 -9.777 -6.025 -4.361
96 H ASP 14 H ASP 14 -3.410 -4.938 -6.035
97 HA ASP 14 HA ASP 14 -3.276 -3.134 -3.920
98 HB2 ASP 14 2HB ASP 14 -1.394 -3.586 -5.421
99 HB3 ASP 14 1HB ASP 14 -2.235 -2.723 -6.715
100 H LYS 15 H LYS 15 -4.210 -1.369 -3.450
101 HA LYS 15 HA LYS 15 -5.940 0.018 -5.385
102 HB2 LYS 15 2HB LYS 15 -6.310 -0.492 -2.449
103 HB3 LYS 15 1HB LYS 15 -7.295 0.596 -3.399
104 HG2 LYS 15 2HG LYS 15 -8.104 -1.294 -4.721
105 HG3 LYS 15 1HG LYS 15 -7.058 -2.384 -3.803
106 HD2 LYS 15 2HD LYS 15 -8.241 -1.780 -1.743
107 HD3 LYS 15 1HD LYS 15 -9.286 -0.698 -2.659
108 HE2 LYS 15 2HE LYS 15 -10.142 -2.600 -3.930
109 HE3 LYS 15 1HE LYS 15 -9.076 -3.684 -3.036
110 HZ1 LYS 15 1HZ LYS 15 -10.232 -3.092 -1.005
111 HZ2 LYS 15 2HZ LYS 15 -11.321 -3.693 -2.127
112 HZ3 LYS 15 3HZ LYS 15 -11.243 -2.041 -1.838
113 H CYS 16 H CYS 16 -3.075 0.417 -4.461
114 HA CYS 16 HA CYS 16 -3.197 2.525 -2.602
115 HB2 CYS 16 2HB CYS 16 -1.032 1.154 -4.031
116 HB3 CYS 16 1HB CYS 16 -0.713 2.750 -3.340
117 H CYS 17 H CYS 17 -2.276 4.563 -2.816
118 HA CYS 17 HA CYS 17 -3.421 5.830 -5.144
119 HB2 CYS 17 2HB CYS 17 -3.571 6.430 -2.508
120 HB3 CYS 17 1HB CYS 17 -2.210 7.422 -2.975
121 H LYS 18 H LYS 18 -1.896 8.129 -5.027
122 HA LYS 18 HA LYS 18 0.264 7.481 -6.774
123 HB2 LYS 18 2HB LYS 18 -1.137 9.500 -6.883
124 HB3 LYS 18 1HB LYS 18 -0.364 10.064 -5.404
125 HG2 LYS 18 2HG LYS 18 1.787 9.943 -6.478
126 HG3 LYS 18 1HG LYS 18 1.004 9.377 -7.956
127 HD2 LYS 18 2HD LYS 18 0.479 11.988 -6.618
128 HD3 LYS 18 1HD LYS 18 1.586 11.761 -7.989
129 HE2 LYS 18 2HE LYS 18 -0.322 10.946 -9.337
130 HE3 LYS 18 1HE LYS 18 -1.386 11.238 -7.964
131 HZ1 LYS 18 1HZ LYS 18 -0.890 13.575 -8.098
132 HZ2 LYS 18 2HZ LYS 18 -1.499 13.011 -9.562
133 HZ3 LYS 18 3HZ LYS 18 0.157 13.311 -9.403
134 H ASN 19 H ASN 19 2.213 6.947 -6.378
135 HA ASN 19 HA ASN 19 4.264 6.851 -5.508
136 HB2 ASN 19 2HB ASN 19 3.189 8.952 -3.693
137 HB3 ASN 19 1HB ASN 19 4.810 8.284 -3.440
138 HD21 ASN 19 1HD2 ASN 19 5.822 10.248 -3.872
139 HD22 ASN 19 2HD2 ASN 19 5.864 10.961 -5.443
140 H TYR 20 H TYR 20 1.782 5.427 -4.413
141 HA TYR 20 HA TYR 20 3.223 4.108 -2.234
142 HB2 TYR 20 2HB TYR 20 0.286 4.647 -2.468
143 HB3 TYR 20 1HB TYR 20 0.982 3.505 -1.369
144 HD1 TYR 20 1HD TYR 20 2.136 4.209 0.632
145 HD2 TYR 20 2HD TYR 20 0.559 7.090 -2.050
146 HE1 TYR 20 1HE TYR 20 2.384 5.908 2.351
147 HE2 TYR 20 2HE TYR 20 0.798 8.811 -0.336
148 HH TYR 20 HH TYR 20 0.885 8.871 2.201
149 H THR 21 H THR 21 2.550 1.854 -1.919
150 HA THR 21 HA THR 21 1.175 0.427 -3.936
151 HB THR 21 HB THR 21 3.219 -1.111 -3.879
152 HG1 THR 21 1HG THR 21 4.289 1.286 -3.025
153 HG21 THR 21 1HG2 THR 21 3.236 1.352 -5.627
154 HG22 THR 21 2HG2 THR 21 2.419 -0.173 -5.975
155 HG23 THR 21 3HG2 THR 21 4.182 -0.100 -5.955
156 H CYS 22 H CYS 22 0.298 -1.484 -2.788
157 HA CYS 22 HA CYS 22 0.919 -1.240 -0.061
158 HB2 CYS 22 2HB CYS 22 -0.851 -2.936 0.241
159 HB3 CYS 22 1HB CYS 22 -1.362 -1.344 -0.325
160 H SER 23 H SER 23 1.762 -2.450 1.265
161 HA SER 23 HA SER 23 3.802 -4.220 0.356
162 HB2 SER 23 2HB SER 23 4.217 -2.599 2.118
163 HB3 SER 23 1HB SER 23 2.886 -3.235 3.069
164 HG SER 23 HG SER 23 5.082 -3.842 3.667
165 H ARG 24 H ARG 24 4.075 -6.355 1.311
166 HA ARG 24 HA ARG 24 1.548 -7.745 1.874
167 HB2 ARG 24 2HB ARG 24 2.753 -8.575 -0.024
168 HB3 ARG 24 1HB ARG 24 4.210 -8.740 0.961
169 HG2 ARG 24 2HG ARG 24 3.189 -10.943 0.574
170 HG3 ARG 24 1HG ARG 24 3.125 -10.504 2.277
171 HD2 ARG 24 2HD ARG 24 1.027 -11.486 1.671
172 HD3 ARG 24 1HD ARG 24 0.766 -9.759 1.929
173 HE ARG 24 HE ARG 24 1.285 -10.330 -0.781
174 HH11 ARG 24 1HH1 ARG 24 -1.255 -10.754 1.669
175 HH12 ARG 24 2HH1 ARG 24 -2.539 -10.515 0.548
176 HH21 ARG 24 1HH2 ARG 24 -0.548 -10.139 -2.292
177 HH22 ARG 24 2HH2 ARG 24 -2.149 -10.185 -1.711
178 H ARG 25 H ARG 25 4.700 -6.913 3.016
179 HA ARG 25 HA ARG 25 4.880 -8.611 5.250
180 HB2 ARG 25 2HB ARG 25 6.769 -7.367 4.278
181 HB3 ARG 25 1HB ARG 25 5.992 -5.859 4.728
182 HG2 ARG 25 2HG ARG 25 6.111 -6.566 7.071
183 HG3 ARG 25 1HG ARG 25 7.078 -7.955 6.527
184 HD2 ARG 25 2HD ARG 25 8.520 -6.118 7.308
185 HD3 ARG 25 1HD ARG 25 8.740 -6.431 5.584
186 HE ARG 25 HE ARG 25 6.809 -4.369 6.229
187 HH11 ARG 25 1HH1 ARG 25 10.219 -4.967 5.485
188 HH12 ARG 25 2HH1 ARG 25 10.468 -3.388 4.888
189 HH21 ARG 25 1HH2 ARG 25 7.134 -2.348 5.387
190 HH22 ARG 25 2HH2 ARG 25 8.687 -1.846 4.810
191 H ASP 26 H ASP 26 3.944 -5.298 4.738
192 HA ASP 26 HA ASP 26 2.895 -5.017 7.424
193 HB2 ASP 26 2HB ASP 26 2.975 -3.000 5.221
194 HB3 ASP 26 1HB ASP 26 2.884 -2.747 6.952
195 H ARG 27 H ARG 27 1.856 -5.590 4.139
196 HA ARG 27 HA ARG 27 0.085 -5.310 2.964
197 HB2 ARG 27 2HB ARG 27 -1.392 -6.190 5.441
198 HB3 ARG 27 1HB ARG 27 -1.901 -6.229 3.745
199 HG2 ARG 27 2HG ARG 27 -0.100 -7.769 3.232
200 HG3 ARG 27 1HG ARG 27 0.314 -7.831 4.947
201 HD2 ARG 27 2HD ARG 27 -1.056 -9.720 4.480
202 HD3 ARG 27 1HD ARG 27 -2.035 -8.567 5.383
203 HE ARG 27 HE ARG 27 -2.201 -8.565 2.466
204 HH11 ARG 27 1HH1 ARG 27 -3.809 -9.123 5.590
205 HH12 ARG 27 2HH1 ARG 27 -5.306 -9.501 4.923
206 HH21 ARG 27 1HH2 ARG 27 -4.344 -9.171 1.523
207 HH22 ARG 27 2HH2 ARG 27 -5.615 -9.507 2.586
208 H TRP 28 H TRP 28 0.811 -2.882 4.582
209 HA TRP 28 HA TRP 28 -1.726 -1.566 4.107
210 HB2 TRP 28 2HB TRP 28 -0.831 0.383 5.386
211 HB3 TRP 28 1HB TRP 28 -0.933 -1.084 6.316
212 HD1 TRP 28 HD TRP 28 2.137 -0.218 4.134
213 HE1 TRP 28 1HE TRP 28 4.156 0.106 5.774
214 HE3 TRP 28 3HE TRP 28 -0.362 -0.522 8.509
215 HZ2 TRP 28 2HZ TRP 28 4.558 0.251 8.540
216 HZ3 TRP 28 3HZ TRP 28 0.862 -0.270 10.619
217 HH2 TRP 28 HH TRP 28 3.291 0.115 10.630
218 H CYS 29 H CYS 29 -1.197 0.815 3.349
219 HA CYS 29 HA CYS 29 -0.033 0.399 0.721
220 HB2 CYS 29 2HB CYS 29 -2.278 1.498 1.234
221 HB3 CYS 29 1HB CYS 29 -1.362 2.839 1.893
222 H LYS 30 H LYS 30 2.141 0.409 0.878
223 HA LYS 30 HA LYS 30 3.434 2.208 2.721
224 HB2 LYS 30 2HB LYS 30 3.969 -0.240 2.585
225 HB3 LYS 30 1HB LYS 30 4.561 0.040 0.956
226 HG2 LYS 30 2HG LYS 30 6.195 1.615 1.855
227 HG3 LYS 30 1HG LYS 30 5.626 1.230 3.483
228 HD2 LYS 30 2HD LYS 30 7.607 -0.072 3.093
229 HD3 LYS 30 1HD LYS 30 6.228 -1.163 3.030
230 HE2 LYS 30 2HE LYS 30 7.776 -1.662 1.238
231 HE3 LYS 30 1HE LYS 30 6.267 -1.055 0.567
232 HZ1 LYS 30 1HZ LYS 30 7.391 1.154 0.265
233 HZ2 LYS 30 2HZ LYS 30 8.196 -0.095 -0.528
234 HZ3 LYS 30 3HZ LYS 30 8.797 0.466 0.905
235 H TYR 31 H TYR 31 5.011 3.650 1.968
236 HA TYR 31 HA TYR 31 4.450 4.894 -0.504
237 HB2 TYR 31 2HB TYR 31 5.469 5.880 1.693
238 HB3 TYR 31 1HB TYR 31 6.988 5.279 1.038
239 HD1 TYR 31 1HD TYR 31 4.379 7.792 0.741
240 HD2 TYR 31 2HD TYR 31 7.970 6.307 -0.993
241 HE1 TYR 31 1HE TYR 31 4.608 9.861 -0.538
242 HE2 TYR 31 2HE TYR 31 8.207 8.377 -2.277
243 HH TYR 31 HH TYR 31 6.470 11.143 -1.590
244 H TYR 32 H TYR 32 5.504 4.770 -2.383
245 HA TYR 32 HA TYR 32 7.213 2.481 -2.795
246 HB2 TYR 32 2HB TYR 32 5.385 2.664 -4.327
247 HB3 TYR 32 1HB TYR 32 5.773 4.346 -4.664
248 HD1 TYR 32 1HD TYR 32 7.160 0.921 -5.011
249 HD2 TYR 32 2HD TYR 32 7.073 4.883 -6.488
250 HE1 TYR 32 1HE TYR 32 8.525 0.221 -6.946
251 HE2 TYR 32 2HE TYR 32 8.430 4.220 -8.416
252 HH TYR 32 HH TYR 32 10.086 2.402 -8.918
253 H LEU 33 H LEU 33 9.301 2.611 -3.220
254 HA LEU 33 HA LEU 33 10.597 5.205 -3.207
255 HB2 LEU 33 2HB LEU 33 11.721 2.399 -3.174
256 HB3 LEU 33 1HB LEU 33 12.735 3.809 -3.330
257 HG LEU 33 HG LEU 33 11.888 4.562 -1.080
258 HD11 LEU 33 1HD1 LEU 33 9.837 3.313 -0.949
259 HD12 LEU 33 2HD1 LEU 33 10.903 2.866 0.389
260 HD13 LEU 33 3HD1 LEU 33 10.731 1.797 -1.004
261 HD21 LEU 33 1HD2 LEU 33 13.312 1.916 -1.206
262 HD22 LEU 33 2HD2 LEU 33 13.301 3.011 0.175
263 HD23 LEU 33 3HD2 LEU 33 14.055 3.509 -1.340
264 HN1 NH2 34 1H LEU 33 10.167 6.101 -5.104
265 HN2 NH2 34 2H LEU 33 10.631 5.463 -6.646
Start of MODEL 9
1 H1 ASP 1 1HT ASP 1 -8.944 9.916 -2.839
2 H2 ASP 1 2HT ASP 1 -10.031 9.383 -1.696
3 H3 ASP 1 3HT ASP 1 -10.612 10.129 -3.089
4 HA ASP 1 HA ASP 1 -10.894 7.720 -3.199
5 HB2 ASP 1 2HB ASP 1 -8.538 8.589 -4.908
6 HB3 ASP 1 1HB ASP 1 -9.587 7.224 -5.230
7 H CYS 2 H CYS 2 -9.143 5.827 -3.925
8 HA CYS 2 HA CYS 2 -7.749 4.260 -3.139
9 HB2 CYS 2 2HB CYS 2 -5.480 4.919 -3.039
10 HB3 CYS 2 1HB CYS 2 -6.226 5.850 -4.288
11 H LEU 3 H LEU 3 -5.694 4.412 -1.350
12 HA LEU 3 HA LEU 3 -7.204 4.067 1.118
13 HB2 LEU 3 2HB LEU 3 -4.692 2.907 0.033
14 HB3 LEU 3 1HB LEU 3 -5.257 2.595 1.673
15 HG LEU 3 HG LEU 3 -6.579 1.759 -0.915
16 HD11 LEU 3 1HD1 LEU 3 -5.283 0.197 1.292
17 HD12 LEU 3 2HD1 LEU 3 -4.643 0.448 -0.334
18 HD13 LEU 3 3HD1 LEU 3 -6.118 -0.492 -0.097
19 HD21 LEU 3 1HD2 LEU 3 -8.198 0.574 0.503
20 HD22 LEU 3 2HD2 LEU 3 -8.295 2.318 0.714
21 HD23 LEU 3 3HD2 LEU 3 -7.488 1.324 1.933
22 H GLY 4 H GLY 4 -5.667 4.332 3.010
23 HA2 GLY 4 2HA GLY 4 -4.291 6.757 2.494
24 HA3 GLY 4 1HA GLY 4 -4.699 6.185 4.136
25 H TRP 5 H TRP 5 -3.096 5.035 5.253
26 HA TRP 5 HA TRP 5 -0.888 4.108 3.723
27 HB2 TRP 5 2HB TRP 5 -0.566 6.227 5.130
28 HB3 TRP 5 1HB TRP 5 -0.691 5.146 6.504
29 HD1 TRP 5 HD TRP 5 1.058 2.786 5.883
30 HE1 TRP 5 1HE TRP 5 3.609 2.952 5.463
31 HE3 TRP 5 3HE TRP 5 1.298 7.692 4.568
32 HZ2 TRP 5 2HZ TRP 5 5.456 4.947 4.661
33 HZ3 TRP 5 3HZ TRP 5 3.485 8.663 3.992
34 HH2 TRP 5 HH TRP 5 5.509 7.321 4.038
35 H PHE 6 H PHE 6 -1.984 3.914 6.962
36 HA PHE 6 HA PHE 6 -1.230 1.090 7.096
37 HB2 PHE 6 2HB PHE 6 -2.464 2.845 9.244
38 HB3 PHE 6 1HB PHE 6 -1.759 1.247 9.489
39 HD1 PHE 6 1HD PHE 6 -1.219 4.704 9.575
40 HD2 PHE 6 2HD PHE 6 0.717 1.007 8.780
41 HE1 PHE 6 1HE PHE 6 0.953 5.753 9.982
42 HE2 PHE 6 2HE PHE 6 2.892 2.056 9.190
43 HZ PHE 6 HZ PHE 6 3.004 4.428 9.795
44 H LYS 7 H LYS 7 -3.317 1.700 5.363
45 HA LYS 7 HA LYS 7 -5.549 0.291 6.601
46 HB2 LYS 7 2HB LYS 7 -5.371 1.366 3.823
47 HB3 LYS 7 1HB LYS 7 -6.787 0.805 4.644
48 HG2 LYS 7 2HG LYS 7 -5.298 3.333 5.354
49 HG3 LYS 7 1HG LYS 7 -6.857 3.235 4.537
50 HD2 LYS 7 2HD LYS 7 -7.753 2.060 6.573
51 HD3 LYS 7 1HD LYS 7 -6.215 2.392 7.361
52 HE2 LYS 7 2HE LYS 7 -6.560 4.794 7.042
53 HE3 LYS 7 1HE LYS 7 -8.102 4.464 6.260
54 HZ1 LYS 7 1HZ LYS 7 -8.467 5.066 8.529
55 HZ2 LYS 7 2HZ LYS 7 -7.398 3.888 9.086
56 HZ3 LYS 7 3HZ LYS 7 -8.842 3.434 8.365
57 H SER 8 H SER 8 -5.906 -1.762 5.982
58 HA SER 8 HA SER 8 -3.777 -3.202 4.963
59 HB2 SER 8 2HB SER 8 -6.611 -4.036 5.374
60 HB3 SER 8 1HB SER 8 -5.141 -4.995 5.465
61 HG SER 8 HG SER 8 -6.275 -3.960 7.477
62 H CYS 9 H CYS 9 -3.648 -4.152 3.049
63 HA CYS 9 HA CYS 9 -5.711 -3.811 1.043
64 HB2 CYS 9 2HB CYS 9 -4.537 -1.804 0.835
65 HB3 CYS 9 1HB CYS 9 -2.990 -2.676 0.850
66 H ASP 10 H ASP 10 -5.006 -4.776 -0.884
67 HA ASP 10 HA ASP 10 -3.395 -7.159 -0.322
68 HB2 ASP 10 2HB ASP 10 -5.883 -7.620 -0.527
69 HB3 ASP 10 1HB ASP 10 -5.728 -7.153 -2.221
70 HA PRO 11 HA PRO 11 -0.795 -5.261 -3.243
71 HB2 PRO 11 2HB PRO 11 0.502 -7.645 -3.935
72 HB3 PRO 11 1HB PRO 11 1.020 -6.492 -2.692
73 HG2 PRO 11 2HG PRO 11 -0.453 -9.061 -2.426
74 HG3 PRO 11 1HG PRO 11 0.643 -8.254 -1.290
75 HD2 PRO 11 2HD PRO 11 -1.986 -8.349 -0.946
76 HD3 PRO 11 1HD PRO 11 -1.006 -6.969 -0.406
77 H LYS 12 H LYS 12 -2.646 -8.078 -4.122
78 HA LYS 12 HA LYS 12 -2.145 -7.628 -6.960
79 HB2 LYS 12 2HB LYS 12 -3.758 -9.756 -5.550
80 HB3 LYS 12 1HB LYS 12 -3.494 -9.686 -7.287
81 HG2 LYS 12 2HG LYS 12 -1.098 -9.952 -6.954
82 HG3 LYS 12 1HG LYS 12 -1.333 -9.973 -5.207
83 HD2 LYS 12 2HD LYS 12 -2.668 -12.006 -5.404
84 HD3 LYS 12 1HD LYS 12 -2.482 -11.959 -7.158
85 HE2 LYS 12 2HE LYS 12 -0.077 -12.223 -6.935
86 HE3 LYS 12 1HE LYS 12 -0.217 -12.216 -5.179
87 HZ1 LYS 12 1HZ LYS 12 -0.014 -14.457 -6.077
88 HZ2 LYS 12 2HZ LYS 12 -1.418 -14.271 -6.976
89 HZ3 LYS 12 3HZ LYS 12 -1.477 -14.262 -5.302
90 H ASN 13 H ASN 13 -4.183 -6.442 -4.689
91 HA ASN 13 HA ASN 13 -6.190 -5.642 -6.690
92 HB2 ASN 13 2HB ASN 13 -6.928 -7.531 -5.087
93 HB3 ASN 13 1HB ASN 13 -6.813 -6.328 -3.815
94 HD21 ASN 13 1HD2 ASN 13 -9.115 -7.785 -4.629
95 HD22 ASN 13 2HD2 ASN 13 -10.301 -6.651 -5.161
96 H ASP 14 H ASP 14 -3.987 -4.372 -6.090
97 HA ASP 14 HA ASP 14 -3.791 -2.718 -3.859
98 HB2 ASP 14 2HB ASP 14 -2.019 -3.163 -5.487
99 HB3 ASP 14 1HB ASP 14 -2.857 -2.102 -6.626
100 H LYS 15 H LYS 15 -4.825 -1.108 -3.238
101 HA LYS 15 HA LYS 15 -6.556 0.450 -5.034
102 HB2 LYS 15 2HB LYS 15 -6.869 -0.303 -2.146
103 HB3 LYS 15 1HB LYS 15 -7.852 0.905 -2.948
104 HG2 LYS 15 2HG LYS 15 -7.680 -2.022 -3.653
105 HG3 LYS 15 1HG LYS 15 -9.011 -1.233 -2.804
106 HD2 LYS 15 2HD LYS 15 -9.346 0.208 -4.812
107 HD3 LYS 15 1HD LYS 15 -8.125 -0.752 -5.649
108 HE2 LYS 15 2HE LYS 15 -10.340 -1.524 -6.231
109 HE3 LYS 15 1HE LYS 15 -9.491 -2.761 -5.304
110 HZ1 LYS 15 1HZ LYS 15 -11.796 -2.455 -4.591
111 HZ2 LYS 15 2HZ LYS 15 -11.466 -0.854 -4.178
112 HZ3 LYS 15 3HZ LYS 15 -10.714 -2.117 -3.345
113 H CYS 16 H CYS 16 -3.687 0.862 -4.214
114 HA CYS 16 HA CYS 16 -3.839 3.153 -2.481
115 HB2 CYS 16 2HB CYS 16 -1.580 1.717 -3.813
116 HB3 CYS 16 1HB CYS 16 -1.382 3.194 -2.873
117 H CYS 17 H CYS 17 -3.024 5.220 -3.053
118 HA CYS 17 HA CYS 17 -3.711 6.043 -5.627
119 HB2 CYS 17 2HB CYS 17 -2.653 7.302 -3.164
120 HB3 CYS 17 1HB CYS 17 -2.383 8.141 -4.661
121 H LYS 18 H LYS 18 -2.029 7.664 -6.466
122 HA LYS 18 HA LYS 18 -0.067 6.108 -7.731
123 HB2 LYS 18 2HB LYS 18 -1.119 7.979 -8.829
124 HB3 LYS 18 1HB LYS 18 -0.486 9.079 -7.614
125 HG2 LYS 18 2HG LYS 18 0.813 9.291 -9.549
126 HG3 LYS 18 1HG LYS 18 1.741 8.474 -8.276
127 HD2 LYS 18 2HD LYS 18 1.363 6.316 -9.323
128 HD3 LYS 18 1HD LYS 18 0.357 7.055 -10.569
129 HE2 LYS 18 2HE LYS 18 3.309 7.492 -10.119
130 HE3 LYS 18 1HE LYS 18 2.572 6.598 -11.442
131 HZ1 LYS 18 1HZ LYS 18 1.513 8.676 -12.168
132 HZ2 LYS 18 2HZ LYS 18 3.189 8.811 -12.161
133 HZ3 LYS 18 3HZ LYS 18 2.289 9.506 -10.924
134 H ASN 19 H ASN 19 1.908 5.687 -7.158
135 HA ASN 19 HA ASN 19 3.936 5.692 -6.266
136 HB2 ASN 19 2HB ASN 19 3.840 8.165 -6.776
137 HB3 ASN 19 1HB ASN 19 3.436 8.432 -5.088
138 HD21 ASN 19 1HD2 ASN 19 4.996 8.206 -3.564
139 HD22 ASN 19 2HD2 ASN 19 6.661 7.918 -3.874
140 H TYR 20 H TYR 20 1.394 5.133 -4.920
141 HA TYR 20 HA TYR 20 2.640 4.334 -2.410
142 HB2 TYR 20 2HB TYR 20 -0.268 4.892 -2.986
143 HB3 TYR 20 1HB TYR 20 0.316 4.106 -1.546
144 HD1 TYR 20 1HD TYR 20 1.045 5.358 0.329
145 HD2 TYR 20 2HD TYR 20 0.434 7.328 -3.392
146 HE1 TYR 20 1HE TYR 20 1.324 7.527 1.434
147 HE2 TYR 20 2HE TYR 20 0.706 9.487 -2.307
148 HH TYR 20 HH TYR 20 0.514 10.459 -0.087
149 H THR 21 H THR 21 1.890 2.200 -1.813
150 HA THR 21 HA THR 21 0.685 0.517 -3.824
151 HB THR 21 HB THR 21 3.485 -0.032 -2.980
152 HG1 THR 21 1HG THR 21 2.588 1.675 -4.898
153 HG21 THR 21 1HG2 THR 21 1.825 -1.147 -5.232
154 HG22 THR 21 2HG2 THR 21 2.212 -1.951 -3.713
155 HG23 THR 21 3HG2 THR 21 3.491 -1.614 -4.884
156 H CYS 22 H CYS 22 -0.105 -1.282 -2.713
157 HA CYS 22 HA CYS 22 0.560 -1.200 0.030
158 HB2 CYS 22 2HB CYS 22 -1.140 -2.966 0.237
159 HB3 CYS 22 1HB CYS 22 -1.739 -1.352 -0.172
160 H SER 23 H SER 23 1.861 -2.274 0.962
161 HA SER 23 HA SER 23 3.522 -4.144 -0.437
162 HB2 SER 23 2HB SER 23 4.505 -2.451 1.036
163 HB3 SER 23 1HB SER 23 3.519 -3.001 2.370
164 HG SER 23 HG SER 23 5.549 -3.829 2.611
165 H ARG 24 H ARG 24 3.763 -6.357 0.216
166 HA ARG 24 HA ARG 24 1.376 -7.433 1.504
167 HB2 ARG 24 2HB ARG 24 2.668 -8.310 -0.638
168 HB3 ARG 24 1HB ARG 24 3.663 -9.082 0.591
169 HG2 ARG 24 2HG ARG 24 0.679 -9.533 0.206
170 HG3 ARG 24 1HG ARG 24 1.956 -10.639 -0.281
171 HD2 ARG 24 2HD ARG 24 1.267 -9.791 2.522
172 HD3 ARG 24 1HD ARG 24 0.841 -11.325 1.777
173 HE ARG 24 HE ARG 24 3.619 -10.968 1.605
174 HH11 ARG 24 1HH1 ARG 24 1.143 -11.785 3.996
175 HH12 ARG 24 2HH1 ARG 24 2.228 -12.576 5.049
176 HH21 ARG 24 1HH2 ARG 24 5.097 -12.059 3.062
177 HH22 ARG 24 2HH2 ARG 24 4.510 -12.723 4.517
178 H ARG 25 H ARG 25 4.801 -6.959 1.873
179 HA ARG 25 HA ARG 25 5.383 -8.533 4.096
180 HB2 ARG 25 2HB ARG 25 6.897 -7.124 2.517
181 HB3 ARG 25 1HB ARG 25 6.494 -5.769 3.548
182 HG2 ARG 25 2HG ARG 25 7.863 -8.285 4.447
183 HG3 ARG 25 1HG ARG 25 8.691 -6.808 3.992
184 HD2 ARG 25 2HD ARG 25 6.753 -7.118 6.289
185 HD3 ARG 25 1HD ARG 25 8.509 -7.091 6.422
186 HE ARG 25 HE ARG 25 7.051 -4.764 5.344
187 HH11 ARG 25 1HH1 ARG 25 9.321 -6.136 7.727
188 HH12 ARG 25 2HH1 ARG 25 9.573 -4.647 8.512
189 HH21 ARG 25 1HH2 ARG 25 7.372 -2.758 6.539
190 HH22 ARG 25 2HH2 ARG 25 8.491 -2.719 7.826
191 H ASP 26 H ASP 26 4.373 -5.160 3.800
192 HA ASP 26 HA ASP 26 3.960 -4.837 6.613
193 HB2 ASP 26 2HB ASP 26 3.356 -2.969 4.323
194 HB3 ASP 26 1HB ASP 26 3.431 -2.581 6.019
195 H ARG 27 H ARG 27 2.041 -5.671 3.775
196 HA ARG 27 HA ARG 27 0.004 -5.923 3.276
197 HB2 ARG 27 2HB ARG 27 -0.387 -6.341 6.234
198 HB3 ARG 27 1HB ARG 27 -1.555 -6.603 4.920
199 HG2 ARG 27 2HG ARG 27 0.818 -7.975 4.273
200 HG3 ARG 27 1HG ARG 27 0.353 -8.422 5.910
201 HD2 ARG 27 2HD ARG 27 -0.628 -9.904 4.209
202 HD3 ARG 27 1HD ARG 27 -1.851 -9.062 5.152
203 HE ARG 27 HE ARG 27 -1.546 -7.490 2.971
204 HH11 ARG 27 1HH1 ARG 27 -2.041 -10.974 3.217
205 HH12 ARG 27 2HH1 ARG 27 -3.129 -11.054 1.920
206 HH21 ARG 27 1HH2 ARG 27 -3.156 -7.574 1.309
207 HH22 ARG 27 2HH2 ARG 27 -3.764 -9.085 0.775
208 H TRP 28 H TRP 28 0.894 -3.111 4.205
209 HA TRP 28 HA TRP 28 -1.804 -2.093 4.054
210 HB2 TRP 28 2HB TRP 28 -1.134 -0.159 5.468
211 HB3 TRP 28 1HB TRP 28 -1.066 -1.694 6.266
212 HD1 TRP 28 HD TRP 28 1.684 0.198 4.288
213 HE1 TRP 28 1HE TRP 28 3.729 0.373 5.919
214 HE3 TRP 28 3HE TRP 28 -0.387 -1.995 8.256
215 HZ2 TRP 28 2HZ TRP 28 4.291 -0.356 8.587
216 HZ3 TRP 28 3HZ TRP 28 0.838 -2.240 10.305
217 HH2 TRP 28 HH TRP 28 3.182 -1.434 10.504
218 H CYS 29 H CYS 29 -1.659 0.302 3.443
219 HA CYS 29 HA CYS 29 -0.477 0.376 0.797
220 HB2 CYS 29 2HB CYS 29 -2.802 1.184 1.386
221 HB3 CYS 29 1HB CYS 29 -2.034 2.501 2.267
222 H LYS 30 H LYS 30 1.649 0.663 0.882
223 HA LYS 30 HA LYS 30 2.733 2.515 2.827
224 HB2 LYS 30 2HB LYS 30 3.344 0.126 2.848
225 HB3 LYS 30 1HB LYS 30 3.954 0.286 1.220
226 HG2 LYS 30 2HG LYS 30 5.677 1.704 1.931
227 HG3 LYS 30 1HG LYS 30 5.002 1.793 3.576
228 HD2 LYS 30 2HD LYS 30 5.276 -0.676 3.739
229 HD3 LYS 30 1HD LYS 30 6.091 -0.647 2.178
230 HE2 LYS 30 2HE LYS 30 7.868 0.694 3.087
231 HE3 LYS 30 1HE LYS 30 7.009 0.853 4.619
232 HZ1 LYS 30 1HZ LYS 30 7.146 -1.551 4.870
233 HZ2 LYS 30 2HZ LYS 30 8.677 -0.841 4.818
234 HZ3 LYS 30 3HZ LYS 30 8.083 -1.660 3.471
235 H TYR 31 H TYR 31 3.929 4.212 2.129
236 HA TYR 31 HA TYR 31 3.614 5.248 -0.471
237 HB2 TYR 31 2HB TYR 31 4.025 6.646 1.492
238 HB3 TYR 31 1HB TYR 31 5.619 5.905 1.653
239 HD1 TYR 31 1HD TYR 31 7.473 6.792 0.548
240 HD2 TYR 31 2HD TYR 31 3.575 8.123 -0.505
241 HE1 TYR 31 1HE TYR 31 8.459 8.594 -0.763
242 HE2 TYR 31 2HE TYR 31 4.552 9.934 -1.832
243 HH TYR 31 HH TYR 31 6.646 11.193 -1.918
244 H TYR 32 H TYR 32 4.747 4.975 -2.232
245 HA TYR 32 HA TYR 32 6.788 2.962 -2.266
246 HB2 TYR 32 2HB TYR 32 5.136 2.677 -3.890
247 HB3 TYR 32 1HB TYR 32 5.106 4.395 -4.255
248 HD1 TYR 32 1HD TYR 32 7.190 1.384 -4.580
249 HD2 TYR 32 2HD TYR 32 6.252 5.224 -6.008
250 HE1 TYR 32 1HE TYR 32 8.647 0.987 -6.538
251 HE2 TYR 32 2HE TYR 32 7.690 4.879 -7.989
252 HH TYR 32 HH TYR 32 8.877 1.823 -8.811
253 H LEU 33 H LEU 33 8.826 3.279 -2.630
254 HA LEU 33 HA LEU 33 9.798 6.011 -3.075
255 HB2 LEU 33 2HB LEU 33 11.189 3.626 -1.826
256 HB3 LEU 33 1HB LEU 33 12.055 5.059 -2.319
257 HG LEU 33 HG LEU 33 11.763 5.132 0.033
258 HD11 LEU 33 1HD1 LEU 33 10.547 7.207 0.375
259 HD12 LEU 33 2HD1 LEU 33 9.858 7.059 -1.241
260 HD13 LEU 33 3HD1 LEU 33 11.600 7.256 -1.038
261 HD21 LEU 33 1HD2 LEU 33 9.888 3.609 0.301
262 HD22 LEU 33 2HD2 LEU 33 8.798 4.798 -0.411
263 HD23 LEU 33 3HD2 LEU 33 9.571 5.127 1.141
264 HN1 NH2 34 1H LEU 33 11.532 3.031 -3.669
265 HN2 NH2 34 2H LEU 33 11.691 3.244 -5.373
Start of MODEL 10
1 H1 ASP 1 1HT ASP 1 -11.306 5.933 -6.287
2 H2 ASP 1 2HT ASP 1 -12.760 6.473 -5.646
3 H3 ASP 1 3HT ASP 1 -12.189 4.910 -5.306
4 HA ASP 1 HA ASP 1 -10.824 7.408 -4.500
5 HB2 ASP 1 2HB ASP 1 -11.440 6.844 -2.223
6 HB3 ASP 1 1HB ASP 1 -12.907 6.936 -3.186
7 H CYS 2 H CYS 2 -9.203 6.700 -2.671
8 HA CYS 2 HA CYS 2 -8.094 4.131 -3.374
9 HB2 CYS 2 2HB CYS 2 -5.805 5.155 -3.390
10 HB3 CYS 2 1HB CYS 2 -6.796 5.562 -4.768
11 H LEU 3 H LEU 3 -5.934 4.082 -1.879
12 HA LEU 3 HA LEU 3 -6.965 4.418 0.840
13 HB2 LEU 3 2HB LEU 3 -5.150 2.307 -0.286
14 HB3 LEU 3 1HB LEU 3 -5.628 2.434 1.391
15 HG LEU 3 HG LEU 3 -7.398 1.726 -0.948
16 HD11 LEU 3 1HD1 LEU 3 -5.934 -0.063 -0.231
17 HD12 LEU 3 2HD1 LEU 3 -7.608 -0.420 0.192
18 HD13 LEU 3 3HD1 LEU 3 -6.483 0.129 1.433
19 HD21 LEU 3 1HD2 LEU 3 -8.650 3.064 0.642
20 HD22 LEU 3 2HD2 LEU 3 -8.114 2.030 1.968
21 HD23 LEU 3 3HD2 LEU 3 -9.166 1.381 0.706
22 H GLY 4 H GLY 4 -5.564 5.383 2.281
23 HA2 GLY 4 2HA GLY 4 -3.123 6.255 1.154
24 HA3 GLY 4 1HA GLY 4 -3.836 6.812 2.682
25 H TRP 5 H TRP 5 -1.806 6.398 3.631
26 HA TRP 5 HA TRP 5 -0.334 4.087 3.268
27 HB2 TRP 5 2HB TRP 5 0.552 6.301 4.132
28 HB3 TRP 5 1HB TRP 5 -0.078 5.813 5.702
29 HD1 TRP 5 HD TRP 5 0.862 2.923 5.980
30 HE1 TRP 5 1HE TRP 5 3.340 2.262 6.112
31 HE3 TRP 5 3HE TRP 5 2.870 7.048 3.787
32 HZ2 TRP 5 2HZ TRP 5 5.849 3.381 5.369
33 HZ3 TRP 5 3HZ TRP 5 5.310 7.186 3.532
34 HH2 TRP 5 HH TRP 5 6.762 5.390 4.306
35 H PHE 6 H PHE 6 -2.013 4.928 6.105
36 HA PHE 6 HA PHE 6 -1.666 2.170 7.032
37 HB2 PHE 6 2HB PHE 6 -2.833 4.584 8.402
38 HB3 PHE 6 1HB PHE 6 -2.562 3.022 9.208
39 HD1 PHE 6 1HD PHE 6 -1.312 6.228 8.449
40 HD2 PHE 6 2HD PHE 6 -0.100 2.227 9.213
41 HE1 PHE 6 1HE PHE 6 0.933 7.024 9.019
42 HE2 PHE 6 2HE PHE 6 2.150 3.020 9.789
43 HZ PHE 6 HZ PHE 6 2.661 5.421 9.690
44 H LYS 7 H LYS 7 -3.138 2.112 4.955
45 HA LYS 7 HA LYS 7 -5.706 1.140 6.030
46 HB2 LYS 7 2HB LYS 7 -4.929 1.769 3.209
47 HB3 LYS 7 1HB LYS 7 -6.467 1.180 3.738
48 HG2 LYS 7 2HG LYS 7 -5.475 3.877 4.626
49 HG3 LYS 7 1HG LYS 7 -6.306 3.672 3.090
50 HD2 LYS 7 2HD LYS 7 -8.020 4.301 4.523
51 HD3 LYS 7 1HD LYS 7 -8.154 2.555 4.502
52 HE2 LYS 7 2HE LYS 7 -8.417 3.385 6.756
53 HE3 LYS 7 1HE LYS 7 -6.929 2.457 6.659
54 HZ1 LYS 7 1HZ LYS 7 -6.601 4.467 7.897
55 HZ2 LYS 7 2HZ LYS 7 -7.161 5.420 6.625
56 HZ3 LYS 7 3HZ LYS 7 -5.719 4.595 6.470
57 H SER 8 H SER 8 -6.009 -1.019 5.548
58 HA SER 8 HA SER 8 -3.577 -2.314 4.733
59 HB2 SER 8 2HB SER 8 -4.871 -3.228 6.630
60 HB3 SER 8 1HB SER 8 -6.170 -3.651 5.475
61 HG SER 8 HG SER 8 -3.488 -4.504 5.259
62 H CYS 9 H CYS 9 -3.467 -3.621 3.147
63 HA CYS 9 HA CYS 9 -5.411 -3.740 1.035
64 HB2 CYS 9 2HB CYS 9 -4.725 -1.543 0.736
65 HB3 CYS 9 1HB CYS 9 -3.015 -1.999 0.824
66 H ASP 10 H ASP 10 -4.271 -4.594 -0.887
67 HA ASP 10 HA ASP 10 -2.100 -6.412 -0.134
68 HB2 ASP 10 2HB ASP 10 -4.306 -7.597 0.047
69 HB3 ASP 10 1HB ASP 10 -4.500 -7.355 -1.687
70 HA PRO 11 HA PRO 11 -0.272 -4.742 -3.749
71 HB2 PRO 11 2HB PRO 11 1.105 -7.089 -4.445
72 HB3 PRO 11 1HB PRO 11 1.701 -5.777 -3.420
73 HG2 PRO 11 2HG PRO 11 0.444 -8.375 -2.621
74 HG3 PRO 11 1HG PRO 11 1.771 -7.469 -1.870
75 HD2 PRO 11 2HD PRO 11 -0.628 -7.482 -0.827
76 HD3 PRO 11 1HD PRO 11 0.329 -5.981 -0.849
77 H LYS 12 H LYS 12 -1.900 -7.859 -3.912
78 HA LYS 12 HA LYS 12 -1.975 -7.772 -6.818
79 HB2 LYS 12 2HB LYS 12 -3.115 -9.779 -4.870
80 HB3 LYS 12 1HB LYS 12 -3.112 -9.957 -6.620
81 HG2 LYS 12 2HG LYS 12 -0.641 -9.711 -4.916
82 HG3 LYS 12 1HG LYS 12 -1.318 -11.230 -5.507
83 HD2 LYS 12 2HD LYS 12 -0.953 -10.564 -7.782
84 HD3 LYS 12 1HD LYS 12 -0.446 -8.955 -7.286
85 HE2 LYS 12 2HE LYS 12 0.980 -11.505 -6.551
86 HE3 LYS 12 1HE LYS 12 1.434 -10.460 -7.895
87 HZ1 LYS 12 1HZ LYS 12 1.807 -8.669 -6.266
88 HZ2 LYS 12 2HZ LYS 12 2.792 -9.983 -6.030
89 HZ3 LYS 12 3HZ LYS 12 1.492 -9.749 -4.999
90 H ASN 13 H ASN 13 -3.683 -6.411 -4.378
91 HA ASN 13 HA ASN 13 -5.991 -5.990 -6.110
92 HB2 ASN 13 2HB ASN 13 -6.357 -7.800 -4.366
93 HB3 ASN 13 1HB ASN 13 -6.123 -6.569 -3.143
94 HD21 ASN 13 1HD2 ASN 13 -8.210 -7.668 -5.683
95 HD22 ASN 13 2HD2 ASN 13 -9.594 -6.754 -5.201
96 H ASP 14 H ASP 14 -3.855 -4.458 -5.917
97 HA ASP 14 HA ASP 14 -3.604 -2.568 -3.855
98 HB2 ASP 14 2HB ASP 14 -1.900 -2.913 -5.581
99 HB3 ASP 14 1HB ASP 14 -2.976 -2.145 -6.760
100 H LYS 15 H LYS 15 -4.701 -0.953 -3.282
101 HA LYS 15 HA LYS 15 -6.552 0.408 -5.120
102 HB2 LYS 15 2HB LYS 15 -6.873 -0.279 -2.212
103 HB3 LYS 15 1HB LYS 15 -7.839 0.927 -3.022
104 HG2 LYS 15 2HG LYS 15 -8.662 -0.897 -4.545
105 HG3 LYS 15 1HG LYS 15 -7.782 -2.050 -3.531
106 HD2 LYS 15 2HD LYS 15 -9.070 -1.364 -1.582
107 HD3 LYS 15 1HD LYS 15 -9.903 -0.142 -2.531
108 HE2 LYS 15 2HE LYS 15 -11.372 -2.006 -2.265
109 HE3 LYS 15 1HE LYS 15 -10.842 -1.968 -3.940
110 HZ1 LYS 15 1HZ LYS 15 -9.278 -3.774 -3.444
111 HZ2 LYS 15 2HZ LYS 15 -10.826 -4.214 -2.987
112 HZ3 LYS 15 3HZ LYS 15 -9.741 -3.725 -1.824
113 H CYS 16 H CYS 16 -3.728 0.920 -4.346
114 HA CYS 16 HA CYS 16 -3.797 2.967 -2.351
115 HB2 CYS 16 2HB CYS 16 -1.666 1.689 -3.950
116 HB3 CYS 16 1HB CYS 16 -1.367 3.173 -3.041
117 H CYS 17 H CYS 17 -3.078 5.129 -2.537
118 HA CYS 17 HA CYS 17 -3.973 6.434 -4.812
119 HB2 CYS 17 2HB CYS 17 -2.433 7.370 -2.390
120 HB3 CYS 17 1HB CYS 17 -3.225 8.399 -3.566
121 H LYS 18 H LYS 18 -2.290 8.364 -5.269
122 HA LYS 18 HA LYS 18 -0.390 7.379 -7.019
123 HB2 LYS 18 2HB LYS 18 -1.493 9.511 -7.277
124 HB3 LYS 18 1HB LYS 18 -0.734 10.104 -5.809
125 HG2 LYS 18 2HG LYS 18 0.397 10.999 -7.654
126 HG3 LYS 18 1HG LYS 18 1.422 9.790 -6.852
127 HD2 LYS 18 2HD LYS 18 0.889 8.151 -8.560
128 HD3 LYS 18 1HD LYS 18 -0.210 9.287 -9.344
129 HE2 LYS 18 2HE LYS 18 2.753 9.690 -8.994
130 HE3 LYS 18 1HE LYS 18 1.990 9.119 -10.476
131 HZ1 LYS 18 1HZ LYS 18 2.466 11.464 -10.571
132 HZ2 LYS 18 2HZ LYS 18 1.537 11.778 -9.205
133 HZ3 LYS 18 3HZ LYS 18 0.810 11.221 -10.620
134 H ASN 19 H ASN 19 1.582 6.755 -6.775
135 HA ASN 19 HA ASN 19 3.700 6.416 -6.119
136 HB2 ASN 19 2HB ASN 19 3.487 8.993 -5.613
137 HB3 ASN 19 1HB ASN 19 3.554 8.475 -3.942
138 HD21 ASN 19 1HD2 ASN 19 5.381 6.244 -4.625
139 HD22 ASN 19 2HD2 ASN 19 6.934 6.920 -4.865
140 H TYR 20 H TYR 20 1.183 5.562 -4.555
141 HA TYR 20 HA TYR 20 2.678 4.305 -2.385
142 HB2 TYR 20 2HB TYR 20 -0.250 4.903 -2.637
143 HB3 TYR 20 1HB TYR 20 0.408 3.825 -1.441
144 HD1 TYR 20 1HD TYR 20 1.275 4.631 0.595
145 HD2 TYR 20 2HD TYR 20 0.440 7.368 -2.545
146 HE1 TYR 20 1HE TYR 20 1.586 6.487 2.146
147 HE2 TYR 20 2HE TYR 20 0.751 9.236 -1.012
148 HH TYR 20 HH TYR 20 0.631 9.654 1.366
149 H THR 21 H THR 21 2.012 2.151 -1.919
150 HA THR 21 HA THR 21 0.613 0.569 -3.845
151 HB THR 21 HB THR 21 3.505 0.146 -3.331
152 HG1 THR 21 1HG THR 21 2.448 1.719 -5.132
153 HG21 THR 21 1HG2 THR 21 1.597 -1.441 -5.045
154 HG22 THR 21 2HG2 THR 21 2.399 -1.959 -3.568
155 HG23 THR 21 3HG2 THR 21 3.343 -1.694 -5.032
156 H CYS 22 H CYS 22 -0.072 -1.184 -2.737
157 HA CYS 22 HA CYS 22 0.663 -1.095 -0.023
158 HB2 CYS 22 2HB CYS 22 -1.122 -2.880 0.182
159 HB3 CYS 22 1HB CYS 22 -1.579 -1.194 -0.130
160 H SER 23 H SER 23 1.576 -2.388 1.168
161 HA SER 23 HA SER 23 3.621 -3.969 -0.033
162 HB2 SER 23 2HB SER 23 4.120 -2.446 1.777
163 HB3 SER 23 1HB SER 23 2.913 -3.203 2.804
164 HG SER 23 HG SER 23 5.490 -3.899 2.262
165 H ARG 24 H ARG 24 4.071 -6.113 0.684
166 HA ARG 24 HA ARG 24 1.717 -7.683 1.436
167 HB2 ARG 24 2HB ARG 24 2.942 -8.223 -0.646
168 HB3 ARG 24 1HB ARG 24 4.351 -8.503 0.373
169 HG2 ARG 24 2HG ARG 24 3.301 -10.633 -0.265
170 HG3 ARG 24 1HG ARG 24 3.256 -10.366 1.474
171 HD2 ARG 24 2HD ARG 24 0.887 -9.599 1.241
172 HD3 ARG 24 1HD ARG 24 0.961 -10.008 -0.477
173 HE ARG 24 HE ARG 24 1.821 -12.190 1.002
174 HH11 ARG 24 1HH1 ARG 24 -1.348 -10.582 0.250
175 HH12 ARG 24 2HH1 ARG 24 -2.200 -11.932 0.752
176 HH21 ARG 24 1HH2 ARG 24 0.527 -13.976 1.616
177 HH22 ARG 24 2HH2 ARG 24 -1.172 -13.898 1.497
178 H ARG 25 H ARG 25 4.946 -6.690 2.210
179 HA ARG 25 HA ARG 25 5.569 -8.395 4.339
180 HB2 ARG 25 2HB ARG 25 7.048 -6.823 3.008
181 HB3 ARG 25 1HB ARG 25 6.289 -5.494 3.830
182 HG2 ARG 25 2HG ARG 25 7.954 -7.616 5.160
183 HG3 ARG 25 1HG ARG 25 8.574 -6.076 4.583
184 HD2 ARG 25 2HD ARG 25 8.277 -5.661 6.862
185 HD3 ARG 25 1HD ARG 25 6.760 -5.073 6.193
186 HE ARG 25 HE ARG 25 6.558 -7.789 6.896
187 HH11 ARG 25 1HH1 ARG 25 6.184 -4.542 8.215
188 HH12 ARG 25 2HH1 ARG 25 5.673 -5.080 9.740
189 HH21 ARG 25 1HH2 ARG 25 5.731 -8.504 8.938
190 HH22 ARG 25 2HH2 ARG 25 5.355 -7.384 10.148
191 H ASP 26 H ASP 26 4.270 -5.078 4.180
192 HA ASP 26 HA ASP 26 3.507 -5.229 6.953
193 HB2 ASP 26 2HB ASP 26 3.368 -2.973 4.978
194 HB3 ASP 26 1HB ASP 26 2.971 -2.907 6.671
195 H ARG 27 H ARG 27 2.122 -5.401 3.743
196 HA ARG 27 HA ARG 27 0.189 -5.144 2.857
197 HB2 ARG 27 2HB ARG 27 -0.873 -6.431 5.365
198 HB3 ARG 27 1HB ARG 27 -1.553 -6.417 3.724
199 HG2 ARG 27 2HG ARG 27 0.439 -7.587 2.922
200 HG3 ARG 27 1HG ARG 27 0.981 -7.755 4.591
201 HD2 ARG 27 2HD ARG 27 -0.067 -9.778 4.009
202 HD3 ARG 27 1HD ARG 27 -1.218 -8.912 5.029
203 HE ARG 27 HE ARG 27 -1.385 -8.854 2.090
204 HH11 ARG 27 1HH1 ARG 27 -2.965 -9.203 5.240
205 HH12 ARG 27 2HH1 ARG 27 -4.466 -9.645 4.587
206 HH21 ARG 27 1HH2 ARG 27 -3.398 -9.455 1.197
207 HH22 ARG 27 2HH2 ARG 27 -4.743 -9.798 2.207
208 H TRP 28 H TRP 28 0.997 -2.868 4.541
209 HA TRP 28 HA TRP 28 -1.623 -1.547 4.417
210 HB2 TRP 28 2HB TRP 28 -0.540 0.391 5.555
211 HB3 TRP 28 1HB TRP 28 -0.539 -1.052 6.536
212 HD1 TRP 28 HD TRP 28 2.281 -0.552 3.949
213 HE1 TRP 28 1HE TRP 28 4.456 -0.155 5.307
214 HE3 TRP 28 3HE TRP 28 0.359 -0.086 8.622
215 HZ2 TRP 28 2HZ TRP 28 5.238 0.332 7.782
216 HZ3 TRP 28 3HZ TRP 28 1.907 0.382 10.498
217 HH2 TRP 28 HH TRP 28 4.324 0.592 10.098
218 H CYS 29 H CYS 29 -1.283 0.771 3.526
219 HA CYS 29 HA CYS 29 -0.189 0.365 0.873
220 HB2 CYS 29 2HB CYS 29 -2.428 1.367 1.268
221 HB3 CYS 29 1HB CYS 29 -1.633 2.719 2.064
222 H LYS 30 H LYS 30 1.880 0.497 0.807
223 HA LYS 30 HA LYS 30 3.360 2.120 2.658
224 HB2 LYS 30 2HB LYS 30 3.686 -0.318 2.159
225 HB3 LYS 30 1HB LYS 30 4.157 0.138 0.541
226 HG2 LYS 30 2HG LYS 30 5.985 -0.428 2.015
227 HG3 LYS 30 1HG LYS 30 6.121 1.254 1.409
228 HD2 LYS 30 2HD LYS 30 5.519 2.067 3.511
229 HD3 LYS 30 1HD LYS 30 4.891 0.492 3.999
230 HE2 LYS 30 2HE LYS 30 7.801 1.171 3.508
231 HE3 LYS 30 1HE LYS 30 7.042 0.998 5.089
232 HZ1 LYS 30 1HZ LYS 30 6.620 -1.388 4.562
233 HZ2 LYS 30 2HZ LYS 30 8.237 -1.016 4.482
234 HZ3 LYS 30 3HZ LYS 30 7.361 -1.166 3.065
235 H TYR 31 H TYR 31 4.735 3.771 1.883
236 HA TYR 31 HA TYR 31 4.048 4.984 -0.602
237 HB2 TYR 31 2HB TYR 31 5.033 6.105 1.532
238 HB3 TYR 31 1HB TYR 31 6.569 5.481 0.913
239 HD1 TYR 31 1HD TYR 31 3.773 7.761 0.164
240 HD2 TYR 31 2HD TYR 31 7.726 6.575 -0.852
241 HE1 TYR 31 1HE TYR 31 3.986 9.740 -1.256
242 HE2 TYR 31 2HE TYR 31 7.957 8.546 -2.278
243 HH TYR 31 HH TYR 31 6.432 10.079 -3.513
244 H TYR 32 H TYR 32 4.829 4.435 -2.516
245 HA TYR 32 HA TYR 32 6.611 2.232 -2.651
246 HB2 TYR 32 2HB TYR 32 4.722 2.380 -4.182
247 HB3 TYR 32 1HB TYR 32 5.364 3.878 -4.852
248 HD1 TYR 32 1HD TYR 32 6.102 0.296 -4.416
249 HD2 TYR 32 2HD TYR 32 6.900 3.832 -6.577
250 HE1 TYR 32 1HE TYR 32 7.427 -1.016 -6.027
251 HE2 TYR 32 2HE TYR 32 8.220 2.574 -8.215
252 HH TYR 32 HH TYR 32 8.222 -0.831 -8.361
253 H LEU 33 H LEU 33 8.667 2.255 -2.921
254 HA LEU 33 HA LEU 33 10.010 4.807 -3.346
255 HB2 LEU 33 2HB LEU 33 11.141 2.166 -2.428
256 HB3 LEU 33 1HB LEU 33 12.004 3.691 -2.482
257 HG LEU 33 HG LEU 33 9.667 3.029 -0.695
258 HD11 LEU 33 1HD1 LEU 33 11.699 1.914 -0.010
259 HD12 LEU 33 2HD1 LEU 33 11.291 3.207 1.118
260 HD13 LEU 33 3HD1 LEU 33 12.578 3.441 -0.062
261 HD21 LEU 33 1HD2 LEU 33 11.307 5.559 -0.888
262 HD22 LEU 33 2HD2 LEU 33 10.113 5.207 0.362
263 HD23 LEU 33 3HD2 LEU 33 9.605 5.377 -1.316
264 HN1 NH2 34 1H LEU 33 9.895 5.055 -5.489
265 HN2 NH2 34 2H LEU 33 10.623 4.014 -6.664
Start of MODEL 11
1 H1 ASP 1 1HT ASP 1 -13.137 5.112 -4.554
2 H2 ASP 1 2HT ASP 1 -12.374 4.105 -3.419
3 H3 ASP 1 3HT ASP 1 -11.929 4.026 -5.020
4 HA ASP 1 HA ASP 1 -10.996 6.198 -4.939
5 HB2 ASP 1 2HB ASP 1 -11.885 6.108 -2.044
6 HB3 ASP 1 1HB ASP 1 -10.785 7.311 -2.704
7 H CYS 2 H CYS 2 -8.814 6.523 -4.084
8 HA CYS 2 HA CYS 2 -7.561 3.993 -3.632
9 HB2 CYS 2 2HB CYS 2 -5.439 5.296 -3.625
10 HB3 CYS 2 1HB CYS 2 -6.384 5.545 -5.061
11 H LEU 3 H LEU 3 -5.569 4.285 -2.043
12 HA LEU 3 HA LEU 3 -6.800 4.673 0.580
13 HB2 LEU 3 2HB LEU 3 -4.572 2.868 -0.305
14 HB3 LEU 3 1HB LEU 3 -5.153 3.009 1.345
15 HG LEU 3 HG LEU 3 -6.668 1.878 -1.012
16 HD11 LEU 3 1HD1 LEU 3 -6.542 -0.212 0.233
17 HD12 LEU 3 2HD1 LEU 3 -5.566 0.584 1.467
18 HD13 LEU 3 3HD1 LEU 3 -4.944 0.409 -0.174
19 HD21 LEU 3 1HD2 LEU 3 -8.409 1.297 0.622
20 HD22 LEU 3 2HD2 LEU 3 -8.204 3.040 0.473
21 HD23 LEU 3 3HD2 LEU 3 -7.531 2.188 1.864
22 H GLY 4 H GLY 4 -5.134 5.199 2.237
23 HA2 GLY 4 2HA GLY 4 -3.313 7.035 1.028
24 HA3 GLY 4 1HA GLY 4 -3.825 7.122 2.730
25 H TRP 5 H TRP 5 -2.755 5.634 4.277
26 HA TRP 5 HA TRP 5 -0.542 4.282 3.127
27 HB2 TRP 5 2HB TRP 5 -0.066 6.488 4.250
28 HB3 TRP 5 1HB TRP 5 -0.518 5.703 5.741
29 HD1 TRP 5 HD TRP 5 1.001 2.985 5.554
30 HE1 TRP 5 1HE TRP 5 3.566 2.880 5.663
31 HE3 TRP 5 3HE TRP 5 2.044 7.757 4.121
32 HZ2 TRP 5 2HZ TRP 5 5.759 4.626 5.195
33 HZ3 TRP 5 3HZ TRP 5 4.394 8.472 3.978
34 HH2 TRP 5 HH TRP 5 6.210 6.926 4.507
35 H PHE 6 H PHE 6 -1.812 4.523 6.295
36 HA PHE 6 HA PHE 6 -1.244 1.720 6.783
37 HB2 PHE 6 2HB PHE 6 -2.484 3.777 8.627
38 HB3 PHE 6 1HB PHE 6 -1.892 2.183 9.103
39 HD1 PHE 6 1HD PHE 6 0.550 1.690 8.770
40 HD2 PHE 6 2HD PHE 6 -1.105 5.593 8.552
41 HE1 PHE 6 1HE PHE 6 2.767 2.643 9.136
42 HE2 PHE 6 2HE PHE 6 1.122 6.557 8.917
43 HZ PHE 6 HZ PHE 6 3.052 5.078 9.210
44 H LYS 7 H LYS 7 -3.262 2.198 4.904
45 HA LYS 7 HA LYS 7 -5.617 1.061 6.225
46 HB2 LYS 7 2HB LYS 7 -5.284 1.976 3.382
47 HB3 LYS 7 1HB LYS 7 -6.743 1.348 4.081
48 HG2 LYS 7 2HG LYS 7 -5.421 3.928 4.925
49 HG3 LYS 7 1HG LYS 7 -6.864 3.788 3.920
50 HD2 LYS 7 2HD LYS 7 -8.034 2.668 5.782
51 HD3 LYS 7 1HD LYS 7 -6.592 2.845 6.778
52 HE2 LYS 7 2HE LYS 7 -8.160 4.577 7.352
53 HE3 LYS 7 1HE LYS 7 -6.775 5.301 6.541
54 HZ1 LYS 7 1HZ LYS 7 -8.116 5.384 4.486
55 HZ2 LYS 7 2HZ LYS 7 -8.815 6.250 5.730
56 HZ3 LYS 7 3HZ LYS 7 -9.431 4.742 5.318
57 H SER 8 H SER 8 -6.391 -0.947 5.537
58 HA SER 8 HA SER 8 -4.365 -2.798 5.060
59 HB2 SER 8 2HB SER 8 -7.287 -3.252 4.932
60 HB3 SER 8 1HB SER 8 -6.003 -4.276 5.552
61 HG SER 8 HG SER 8 -5.626 -2.673 7.198
62 H CYS 9 H CYS 9 -3.925 -3.782 3.242
63 HA CYS 9 HA CYS 9 -5.692 -3.854 0.968
64 HB2 CYS 9 2HB CYS 9 -4.778 -1.704 0.762
65 HB3 CYS 9 1HB CYS 9 -3.125 -2.340 0.871
66 H ASP 10 H ASP 10 -4.361 -4.785 -0.878
67 HA ASP 10 HA ASP 10 -2.340 -6.670 0.056
68 HB2 ASP 10 2HB ASP 10 -4.568 -7.803 0.115
69 HB3 ASP 10 1HB ASP 10 -4.654 -7.596 -1.628
70 HA PRO 11 HA PRO 11 -0.280 -5.211 -3.586
71 HB2 PRO 11 2HB PRO 11 1.026 -7.706 -4.001
72 HB3 PRO 11 1HB PRO 11 1.676 -6.285 -3.159
73 HG2 PRO 11 2HG PRO 11 0.403 -8.733 -2.079
74 HG3 PRO 11 1HG PRO 11 1.655 -7.656 -1.402
75 HD2 PRO 11 2HD PRO 11 -0.825 -7.716 -0.506
76 HD3 PRO 11 1HD PRO 11 0.111 -6.204 -0.565
77 H LYS 12 H LYS 12 -2.062 -8.233 -3.655
78 HA LYS 12 HA LYS 12 -2.003 -8.194 -6.568
79 HB2 LYS 12 2HB LYS 12 -3.226 -10.202 -4.688
80 HB3 LYS 12 1HB LYS 12 -3.197 -10.354 -6.443
81 HG2 LYS 12 2HG LYS 12 -0.726 -10.329 -6.373
82 HG3 LYS 12 1HG LYS 12 -0.805 -10.258 -4.618
83 HD2 LYS 12 2HD LYS 12 -0.372 -12.536 -5.323
84 HD3 LYS 12 1HD LYS 12 -1.985 -12.436 -4.621
85 HE2 LYS 12 2HE LYS 12 -2.981 -12.464 -6.803
86 HE3 LYS 12 1HE LYS 12 -1.398 -12.342 -7.572
87 HZ1 LYS 12 1HZ LYS 12 -0.836 -14.497 -6.715
88 HZ2 LYS 12 2HZ LYS 12 -2.281 -14.587 -7.592
89 HZ3 LYS 12 3HZ LYS 12 -2.316 -14.617 -5.902
90 H ASN 13 H ASN 13 -3.774 -6.787 -4.217
91 HA ASN 13 HA ASN 13 -6.030 -6.331 -6.025
92 HB2 ASN 13 2HB ASN 13 -6.511 -8.087 -4.228
93 HB3 ASN 13 1HB ASN 13 -6.278 -6.827 -3.042
94 HD21 ASN 13 1HD2 ASN 13 -8.372 -7.948 -5.587
95 HD22 ASN 13 2HD2 ASN 13 -9.736 -6.980 -5.203
96 H ASP 14 H ASP 14 -3.871 -4.855 -5.838
97 HA ASP 14 HA ASP 14 -3.641 -2.978 -3.758
98 HB2 ASP 14 2HB ASP 14 -1.810 -3.430 -5.300
99 HB3 ASP 14 1HB ASP 14 -2.729 -2.687 -6.616
100 H LYS 15 H LYS 15 -4.498 -1.159 -3.326
101 HA LYS 15 HA LYS 15 -6.492 0.070 -5.127
102 HB2 LYS 15 2HB LYS 15 -6.475 -0.282 -2.145
103 HB3 LYS 15 1HB LYS 15 -7.625 0.698 -3.024
104 HG2 LYS 15 2HG LYS 15 -8.488 -1.286 -4.136
105 HG3 LYS 15 1HG LYS 15 -7.261 -2.277 -3.341
106 HD2 LYS 15 2HD LYS 15 -8.185 -1.756 -1.173
107 HD3 LYS 15 1HD LYS 15 -9.351 -0.653 -1.901
108 HE2 LYS 15 2HE LYS 15 -10.364 -2.526 -3.101
109 HE3 LYS 15 1HE LYS 15 -9.198 -3.630 -2.376
110 HZ1 LYS 15 1HZ LYS 15 -10.112 -3.046 -0.197
111 HZ2 LYS 15 2HZ LYS 15 -11.254 -3.716 -1.198
112 HZ3 LYS 15 3HZ LYS 15 -11.264 -2.052 -0.928
113 H CYS 16 H CYS 16 -3.595 0.672 -4.678
114 HA CYS 16 HA CYS 16 -3.650 2.958 -2.927
115 HB2 CYS 16 2HB CYS 16 -1.464 1.473 -4.275
116 HB3 CYS 16 1HB CYS 16 -1.184 2.996 -3.427
117 H CYS 17 H CYS 17 -2.786 4.978 -3.391
118 HA CYS 17 HA CYS 17 -3.469 5.919 -6.020
119 HB2 CYS 17 2HB CYS 17 -3.360 7.070 -3.358
120 HB3 CYS 17 1HB CYS 17 -2.445 8.041 -4.485
121 H LYS 18 H LYS 18 -1.821 7.975 -6.256
122 HA LYS 18 HA LYS 18 0.324 6.875 -7.655
123 HB2 LYS 18 2HB LYS 18 -0.801 8.981 -8.203
124 HB3 LYS 18 1HB LYS 18 -0.094 9.712 -6.767
125 HG2 LYS 18 2HG LYS 18 2.095 9.372 -7.641
126 HG3 LYS 18 1HG LYS 18 1.416 8.547 -9.053
127 HD2 LYS 18 2HD LYS 18 1.940 10.811 -9.706
128 HD3 LYS 18 1HD LYS 18 0.190 10.638 -9.601
129 HE2 LYS 18 2HE LYS 18 0.251 11.684 -7.360
130 HE3 LYS 18 1HE LYS 18 1.991 11.902 -7.533
131 HZ1 LYS 18 1HZ LYS 18 1.521 13.249 -9.525
132 HZ2 LYS 18 2HZ LYS 18 0.928 13.917 -8.118
133 HZ3 LYS 18 3HZ LYS 18 -0.131 13.153 -9.194
134 H ASN 19 H ASN 19 2.230 6.278 -7.055
135 HA ASN 19 HA ASN 19 4.270 6.126 -6.111
136 HB2 ASN 19 2HB ASN 19 4.058 8.648 -6.080
137 HB3 ASN 19 1HB ASN 19 3.681 8.515 -4.368
138 HD21 ASN 19 1HD2 ASN 19 5.559 9.592 -3.729
139 HD22 ASN 19 2HD2 ASN 19 7.127 8.881 -3.821
140 H TYR 20 H TYR 20 1.760 5.163 -4.956
141 HA TYR 20 HA TYR 20 2.927 4.107 -2.478
142 HB2 TYR 20 2HB TYR 20 0.052 4.738 -3.096
143 HB3 TYR 20 1HB TYR 20 0.569 3.744 -1.761
144 HD1 TYR 20 1HD TYR 20 0.453 7.154 -3.099
145 HD2 TYR 20 2HD TYR 20 1.465 4.743 0.247
146 HE1 TYR 20 1HE TYR 20 0.564 9.147 -1.705
147 HE2 TYR 20 2HE TYR 20 1.595 6.732 1.654
148 HH TYR 20 HH TYR 20 0.408 9.741 0.541
149 H THR 21 H THR 21 2.067 1.964 -2.024
150 HA THR 21 HA THR 21 0.337 0.577 -3.616
151 HB THR 21 HB THR 21 2.011 0.547 -5.241
152 HG1 THR 21 1HG THR 21 0.713 -1.384 -4.721
153 HG21 THR 21 1HG2 THR 21 4.209 -0.664 -4.961
154 HG22 THR 21 2HG2 THR 21 3.849 -0.765 -3.236
155 HG23 THR 21 3HG2 THR 21 4.066 0.807 -3.996
156 H CYS 22 H CYS 22 -0.225 -1.310 -2.720
157 HA CYS 22 HA CYS 22 0.597 -1.331 -0.004
158 HB2 CYS 22 2HB CYS 22 -1.252 -2.946 0.263
159 HB3 CYS 22 1HB CYS 22 -1.710 -1.297 -0.187
160 H SER 23 H SER 23 1.681 -2.603 1.001
161 HA SER 23 HA SER 23 3.244 -4.598 -0.415
162 HB2 SER 23 2HB SER 23 4.432 -3.039 0.996
163 HB3 SER 23 1HB SER 23 3.380 -3.391 2.349
164 HG SER 23 HG SER 23 5.452 -4.364 2.471
165 H ARG 24 H ARG 24 3.687 -6.708 0.686
166 HA ARG 24 HA ARG 24 1.237 -7.885 1.819
167 HB2 ARG 24 2HB ARG 24 2.183 -8.917 -0.194
168 HB3 ARG 24 1HB ARG 24 3.695 -9.133 0.696
169 HG2 ARG 24 2HG ARG 24 2.497 -11.241 0.522
170 HG3 ARG 24 1HG ARG 24 2.572 -10.701 2.194
171 HD2 ARG 24 2HD ARG 24 0.345 -11.569 1.762
172 HD3 ARG 24 1HD ARG 24 0.274 -9.815 1.961
173 HE ARG 24 HE ARG 24 -0.818 -9.809 0.012
174 HH11 ARG 24 1HH1 ARG 24 1.456 -12.537 -0.254
175 HH12 ARG 24 2HH1 ARG 24 1.058 -12.840 -1.881
176 HH21 ARG 24 1HH2 ARG 24 -1.399 -10.324 -2.165
177 HH22 ARG 24 2HH2 ARG 24 -0.517 -11.568 -2.968
178 H ARG 25 H ARG 25 4.509 -7.018 2.459
179 HA ARG 25 HA ARG 25 4.891 -8.648 4.778
180 HB2 ARG 25 2HB ARG 25 6.719 -7.636 3.396
181 HB3 ARG 25 1HB ARG 25 6.219 -6.053 3.989
182 HG2 ARG 25 2HG ARG 25 6.538 -7.040 6.287
183 HG3 ARG 25 1HG ARG 25 7.418 -8.326 5.440
184 HD2 ARG 25 2HD ARG 25 9.028 -6.720 6.164
185 HD3 ARG 25 1HD ARG 25 8.847 -6.535 4.419
186 HE ARG 25 HE ARG 25 7.154 -4.689 5.191
187 HH11 ARG 25 1HH1 ARG 25 10.402 -5.357 6.401
188 HH12 ARG 25 2HH1 ARG 25 10.582 -3.839 7.161
189 HH21 ARG 25 1HH2 ARG 25 7.411 -2.592 6.223
190 HH22 ARG 25 2HH2 ARG 25 8.882 -2.230 7.019
191 H ASP 26 H ASP 26 4.184 -5.316 4.016
192 HA ASP 26 HA ASP 26 3.673 -4.550 6.730
193 HB2 ASP 26 2HB ASP 26 3.297 -2.913 4.209
194 HB3 ASP 26 1HB ASP 26 3.496 -2.376 5.844
195 H ARG 27 H ARG 27 1.906 -5.540 3.819
196 HA ARG 27 HA ARG 27 -0.088 -5.432 3.088
197 HB2 ARG 27 2HB ARG 27 -0.912 -6.113 5.895
198 HB3 ARG 27 1HB ARG 27 -1.770 -6.401 4.371
199 HG2 ARG 27 2HG ARG 27 0.366 -7.670 3.697
200 HG3 ARG 27 1HG ARG 27 0.637 -7.764 5.433
201 HD2 ARG 27 2HD ARG 27 -0.497 -9.734 4.846
202 HD3 ARG 27 1HD ARG 27 -1.704 -8.696 5.600
203 HE ARG 27 HE ARG 27 -1.446 -8.810 2.675
204 HH11 ARG 27 1HH1 ARG 27 -3.439 -9.119 5.578
205 HH12 ARG 27 2HH1 ARG 27 -4.857 -9.507 4.743
206 HH21 ARG 27 1HH2 ARG 27 -3.408 -9.409 1.497
207 HH22 ARG 27 2HH2 ARG 27 -4.844 -9.650 2.380
208 H TRP 28 H TRP 28 0.775 -2.824 4.325
209 HA TRP 28 HA TRP 28 -1.889 -1.684 4.078
210 HB2 TRP 28 2HB TRP 28 -0.996 0.354 5.249
211 HB3 TRP 28 1HB TRP 28 -0.924 -1.094 6.200
212 HD1 TRP 28 HD TRP 28 1.760 0.283 3.759
213 HE1 TRP 28 1HE TRP 28 3.956 0.536 5.187
214 HE3 TRP 28 3HE TRP 28 -0.090 -1.034 8.159
215 HZ2 TRP 28 2HZ TRP 28 4.711 0.204 7.865
216 HZ3 TRP 28 3HZ TRP 28 1.322 -1.059 10.147
217 HH2 TRP 28 HH TRP 28 3.711 -0.443 10.016
218 H CYS 29 H CYS 29 -1.573 0.666 3.166
219 HA CYS 29 HA CYS 29 -0.400 0.289 0.559
220 HB2 CYS 29 2HB CYS 29 -2.637 1.420 0.974
221 HB3 CYS 29 1HB CYS 29 -1.755 2.732 1.743
222 H LYS 30 H LYS 30 1.729 0.336 0.674
223 HA LYS 30 HA LYS 30 3.031 2.031 2.580
224 HB2 LYS 30 2HB LYS 30 3.487 -0.393 2.319
225 HB3 LYS 30 1HB LYS 30 4.090 -0.069 0.708
226 HG2 LYS 30 2HG LYS 30 5.808 1.359 1.662
227 HG3 LYS 30 1HG LYS 30 5.193 0.971 3.279
228 HD2 LYS 30 2HD LYS 30 5.609 -1.421 2.816
229 HD3 LYS 30 1HD LYS 30 6.341 -0.969 1.276
230 HE2 LYS 30 2HE LYS 30 8.067 -1.328 2.892
231 HE3 LYS 30 1HE LYS 30 7.985 0.387 2.506
232 HZ1 LYS 30 1HZ LYS 30 8.223 -0.009 4.897
233 HZ2 LYS 30 2HZ LYS 30 6.767 -0.861 4.924
234 HZ3 LYS 30 3HZ LYS 30 6.785 0.780 4.536
235 H TYR 31 H TYR 31 4.139 3.755 2.031
236 HA TYR 31 HA TYR 31 3.937 5.091 -0.421
237 HB2 TYR 31 2HB TYR 31 4.548 5.985 1.906
238 HB3 TYR 31 1HB TYR 31 6.158 5.362 1.558
239 HD1 TYR 31 1HD TYR 31 3.597 7.701 0.237
240 HD2 TYR 31 2HD TYR 31 7.726 6.733 0.494
241 HE1 TYR 31 1HE TYR 31 4.148 9.846 -0.783
242 HE2 TYR 31 2HE TYR 31 8.299 8.880 -0.542
243 HH TYR 31 HH TYR 31 7.204 10.578 -1.989
244 H TYR 32 H TYR 32 5.080 4.846 -2.251
245 HA TYR 32 HA TYR 32 6.901 2.656 -2.385
246 HB2 TYR 32 2HB TYR 32 5.210 3.074 -4.115
247 HB3 TYR 32 1HB TYR 32 6.014 4.583 -4.525
248 HD1 TYR 32 1HD TYR 32 7.574 4.576 -6.202
249 HD2 TYR 32 2HD TYR 32 6.669 0.961 -4.215
250 HE1 TYR 32 1HE TYR 32 8.998 3.364 -7.803
251 HE2 TYR 32 2HE TYR 32 8.081 -0.284 -5.789
252 HH TYR 32 HH TYR 32 10.261 1.251 -7.883
253 H LEU 33 H LEU 33 8.997 2.710 -2.392
254 HA LEU 33 HA LEU 33 10.310 5.321 -2.405
255 HB2 LEU 33 2HB LEU 33 11.213 2.731 -1.134
256 HB3 LEU 33 1HB LEU 33 12.136 4.218 -1.139
257 HG LEU 33 HG LEU 33 9.473 3.804 0.230
258 HD11 LEU 33 1HD1 LEU 33 10.756 3.995 2.296
259 HD12 LEU 33 2HD1 LEU 33 12.250 4.073 1.361
260 HD13 LEU 33 3HD1 LEU 33 11.268 2.610 1.336
261 HD21 LEU 33 1HD2 LEU 33 9.894 6.007 1.232
262 HD22 LEU 33 2HD2 LEU 33 9.735 6.108 -0.519
263 HD23 LEU 33 3HD2 LEU 33 11.332 6.184 0.228
264 HN1 NH2 34 1H LEU 33 11.794 2.169 -2.823
265 HN2 NH2 34 2H LEU 33 12.338 2.437 -4.434
Start of MODEL 12
1 H1 ASP 1 1HT ASP 1 -11.499 7.468 -2.390
2 H2 ASP 1 2HT ASP 1 -12.279 7.873 -3.840
3 H3 ASP 1 3HT ASP 1 -10.756 8.494 -3.484
4 HA ASP 1 HA ASP 1 -11.330 5.639 -3.914
5 HB2 ASP 1 2HB ASP 1 -10.068 5.865 -5.960
6 HB3 ASP 1 1HB ASP 1 -11.361 7.058 -5.992
7 H CYS 2 H CYS 2 -9.220 4.530 -4.266
8 HA CYS 2 HA CYS 2 -7.465 3.664 -3.426
9 HB2 CYS 2 2HB CYS 2 -5.454 4.923 -3.445
10 HB3 CYS 2 1HB CYS 2 -6.401 5.269 -4.849
11 H LEU 3 H LEU 3 -5.474 4.236 -1.810
12 HA LEU 3 HA LEU 3 -6.784 4.409 0.771
13 HB2 LEU 3 2HB LEU 3 -4.558 2.681 -0.201
14 HB3 LEU 3 1HB LEU 3 -5.066 2.773 1.480
15 HG LEU 3 HG LEU 3 -6.713 1.754 -0.836
16 HD11 LEU 3 1HD1 LEU 3 -5.479 0.327 1.505
17 HD12 LEU 3 2HD1 LEU 3 -4.954 0.232 -0.177
18 HD13 LEU 3 3HD1 LEU 3 -6.534 -0.398 0.292
19 HD21 LEU 3 1HD2 LEU 3 -7.385 1.950 2.099
20 HD22 LEU 3 2HD2 LEU 3 -8.341 1.107 0.883
21 HD23 LEU 3 3HD2 LEU 3 -8.146 2.852 0.785
22 H GLY 4 H GLY 4 -5.222 4.946 2.445
23 HA2 GLY 4 2HA GLY 4 -3.325 6.836 1.427
24 HA3 GLY 4 1HA GLY 4 -3.847 6.762 3.125
25 H TRP 5 H TRP 5 -2.406 5.692 4.553
26 HA TRP 5 HA TRP 5 -0.453 4.119 3.221
27 HB2 TRP 5 2HB TRP 5 0.342 6.179 4.392
28 HB3 TRP 5 1HB TRP 5 -0.150 5.419 5.893
29 HD1 TRP 5 HD TRP 5 1.005 2.547 5.561
30 HE1 TRP 5 1HE TRP 5 3.521 2.094 5.552
31 HE3 TRP 5 3HE TRP 5 2.591 7.182 4.248
32 HZ2 TRP 5 2HZ TRP 5 5.910 3.552 5.043
33 HZ3 TRP 5 3HZ TRP 5 4.994 7.589 4.019
34 HH2 TRP 5 HH TRP 5 6.625 5.802 4.409
35 H PHE 6 H PHE 6 -1.574 4.218 6.445
36 HA PHE 6 HA PHE 6 -0.865 1.451 6.851
37 HB2 PHE 6 2HB PHE 6 -2.369 3.243 8.774
38 HB3 PHE 6 1HB PHE 6 -1.431 1.801 9.161
39 HD1 PHE 6 1HD PHE 6 -1.445 5.320 8.811
40 HD2 PHE 6 2HD PHE 6 1.076 1.900 8.714
41 HE1 PHE 6 1HE PHE 6 0.509 6.751 9.188
42 HE2 PHE 6 2HE PHE 6 3.024 3.328 9.091
43 HZ PHE 6 HZ PHE 6 2.735 5.756 9.331
44 H LYS 7 H LYS 7 -3.260 2.387 5.177
45 HA LYS 7 HA LYS 7 -5.459 0.902 6.351
46 HB2 LYS 7 2HB LYS 7 -5.127 1.905 3.533
47 HB3 LYS 7 1HB LYS 7 -6.586 1.263 4.216
48 HG2 LYS 7 2HG LYS 7 -5.279 3.805 5.185
49 HG3 LYS 7 1HG LYS 7 -6.648 3.722 4.079
50 HD2 LYS 7 2HD LYS 7 -7.991 2.607 5.779
51 HD3 LYS 7 1HD LYS 7 -6.621 2.602 6.881
52 HE2 LYS 7 2HE LYS 7 -8.182 4.378 7.463
53 HE3 LYS 7 1HE LYS 7 -6.652 5.058 6.929
54 HZ1 LYS 7 1HZ LYS 7 -7.650 5.593 4.804
55 HZ2 LYS 7 2HZ LYS 7 -8.642 6.199 6.027
56 HZ3 LYS 7 3HZ LYS 7 -9.074 4.812 5.230
57 H SER 8 H SER 8 -6.152 -1.119 5.606
58 HA SER 8 HA SER 8 -4.047 -2.844 4.979
59 HB2 SER 8 2HB SER 8 -6.959 -3.413 5.070
60 HB3 SER 8 1HB SER 8 -5.589 -4.429 5.493
61 HG SER 8 HG SER 8 -5.094 -2.943 7.175
62 H CYS 9 H CYS 9 -3.754 -3.866 3.130
63 HA CYS 9 HA CYS 9 -5.635 -3.721 0.951
64 HB2 CYS 9 2HB CYS 9 -4.435 -1.689 0.738
65 HB3 CYS 9 1HB CYS 9 -2.893 -2.561 0.798
66 H ASP 10 H ASP 10 -4.487 -4.774 -0.904
67 HA ASP 10 HA ASP 10 -2.843 -6.998 0.027
68 HB2 ASP 10 2HB ASP 10 -5.252 -7.714 -0.151
69 HB3 ASP 10 1HB ASP 10 -5.168 -7.336 -1.870
70 HA PRO 11 HA PRO 11 -0.433 -5.269 -3.241
71 HB2 PRO 11 2HB PRO 11 1.016 -7.564 -3.748
72 HB3 PRO 11 1HB PRO 11 1.447 -6.343 -2.527
73 HG2 PRO 11 2HG PRO 11 0.043 -8.956 -2.247
74 HG3 PRO 11 1HG PRO 11 1.214 -8.170 -1.171
75 HD2 PRO 11 2HD PRO 11 -1.366 -8.199 -0.596
76 HD3 PRO 11 1HD PRO 11 -0.378 -6.757 -0.262
77 H LYS 12 H LYS 12 -2.140 -8.249 -3.682
78 HA LYS 12 HA LYS 12 -1.766 -8.202 -6.566
79 HB2 LYS 12 2HB LYS 12 -3.480 -10.001 -4.868
80 HB3 LYS 12 1HB LYS 12 -3.168 -10.190 -6.588
81 HG2 LYS 12 2HG LYS 12 -0.836 -10.624 -6.141
82 HG3 LYS 12 1HG LYS 12 -1.096 -10.330 -4.423
83 HD2 LYS 12 2HD LYS 12 -1.059 -12.695 -4.700
84 HD3 LYS 12 1HD LYS 12 -2.734 -12.240 -4.438
85 HE2 LYS 12 2HE LYS 12 -1.504 -12.800 -7.141
86 HE3 LYS 12 1HE LYS 12 -2.377 -13.982 -6.193
87 HZ1 LYS 12 1HZ LYS 12 -3.841 -13.138 -7.808
88 HZ2 LYS 12 2HZ LYS 12 -3.480 -11.552 -7.519
89 HZ3 LYS 12 3HZ LYS 12 -4.369 -12.421 -6.379
90 H ASN 13 H ASN 13 -3.800 -6.828 -4.338
91 HA ASN 13 HA ASN 13 -5.843 -6.223 -6.361
92 HB2 ASN 13 2HB ASN 13 -6.581 -7.946 -4.637
93 HB3 ASN 13 1HB ASN 13 -6.356 -6.714 -3.415
94 HD21 ASN 13 1HD2 ASN 13 -7.695 -6.078 -6.610
95 HD22 ASN 13 2HD2 ASN 13 -9.279 -5.685 -6.071
96 H ASP 14 H ASP 14 -3.656 -4.811 -5.940
97 HA ASP 14 HA ASP 14 -3.536 -2.930 -3.886
98 HB2 ASP 14 2HB ASP 14 -1.671 -3.347 -5.406
99 HB3 ASP 14 1HB ASP 14 -2.587 -2.573 -6.711
100 H LYS 15 H LYS 15 -4.601 -1.332 -3.407
101 HA LYS 15 HA LYS 15 -6.442 -0.003 -5.281
102 HB2 LYS 15 2HB LYS 15 -6.636 -0.495 -2.317
103 HB3 LYS 15 1HB LYS 15 -7.730 0.531 -3.225
104 HG2 LYS 15 2HG LYS 15 -8.455 -1.390 -4.534
105 HG3 LYS 15 1HG LYS 15 -7.314 -2.417 -3.666
106 HD2 LYS 15 2HD LYS 15 -8.493 -1.959 -1.573
107 HD3 LYS 15 1HD LYS 15 -9.633 -0.924 -2.441
108 HE2 LYS 15 2HE LYS 15 -10.341 -2.826 -3.787
109 HE3 LYS 15 1HE LYS 15 -9.186 -3.859 -2.953
110 HZ1 LYS 15 1HZ LYS 15 -10.405 -3.473 -0.904
111 HZ2 LYS 15 2HZ LYS 15 -11.367 -4.153 -2.077
112 HZ3 LYS 15 3HZ LYS 15 -11.534 -2.505 -1.724
113 H CYS 16 H CYS 16 -3.589 0.485 -4.567
114 HA CYS 16 HA CYS 16 -3.672 2.772 -2.856
115 HB2 CYS 16 2HB CYS 16 -1.493 1.261 -4.208
116 HB3 CYS 16 1HB CYS 16 -1.209 2.790 -3.381
117 H CYS 17 H CYS 17 -2.920 4.799 -3.389
118 HA CYS 17 HA CYS 17 -3.671 5.625 -6.016
119 HB2 CYS 17 2HB CYS 17 -3.329 6.866 -3.417
120 HB3 CYS 17 1HB CYS 17 -2.566 7.800 -4.680
121 H LYS 18 H LYS 18 -2.127 7.634 -6.494
122 HA LYS 18 HA LYS 18 0.235 6.704 -7.709
123 HB2 LYS 18 2HB LYS 18 -1.074 8.704 -8.349
124 HB3 LYS 18 1HB LYS 18 -0.551 9.449 -6.841
125 HG2 LYS 18 2HG LYS 18 1.757 9.239 -7.556
126 HG3 LYS 18 1HG LYS 18 1.195 8.561 -9.093
127 HD2 LYS 18 2HD LYS 18 1.668 10.911 -9.390
128 HD3 LYS 18 1HD LYS 18 -0.072 10.604 -9.500
129 HE2 LYS 18 2HE LYS 18 -0.340 11.347 -7.158
130 HE3 LYS 18 1HE LYS 18 1.390 11.666 -7.071
131 HZ1 LYS 18 1HZ LYS 18 1.061 13.373 -8.805
132 HZ2 LYS 18 2HZ LYS 18 0.178 13.650 -7.405
133 HZ3 LYS 18 3HZ LYS 18 -0.608 13.066 -8.758
134 H ASN 19 H ASN 19 2.151 6.376 -6.963
135 HA ASN 19 HA ASN 19 4.077 6.620 -5.787
136 HB2 ASN 19 2HB ASN 19 2.487 8.576 -4.236
137 HB3 ASN 19 1HB ASN 19 4.185 8.257 -3.858
138 HD21 ASN 19 1HD2 ASN 19 4.718 8.112 -6.864
139 HD22 ASN 19 2HD2 ASN 19 4.670 9.749 -7.382
140 H TYR 20 H TYR 20 1.378 5.193 -4.831
141 HA TYR 20 HA TYR 20 2.625 4.130 -2.413
142 HB2 TYR 20 2HB TYR 20 -0.277 4.468 -3.058
143 HB3 TYR 20 1HB TYR 20 0.325 3.534 -1.724
144 HD1 TYR 20 1HD TYR 20 1.001 4.574 0.330
145 HD2 TYR 20 2HD TYR 20 -0.057 6.991 -3.011
146 HE1 TYR 20 1HE TYR 20 0.895 6.522 1.788
147 HE2 TYR 20 2HE TYR 20 -0.169 8.958 -1.556
148 HH TYR 20 HH TYR 20 1.031 8.921 1.658
149 H THR 21 H THR 21 2.114 1.890 -2.027
150 HA THR 21 HA THR 21 1.185 0.222 -4.156
151 HB THR 21 HB THR 21 3.373 -1.041 -3.711
152 HG1 THR 21 1HG THR 21 3.913 1.058 -2.330
153 HG21 THR 21 1HG2 THR 21 2.803 -0.248 -5.952
154 HG22 THR 21 2HG2 THR 21 4.520 0.020 -5.661
155 HG23 THR 21 3HG2 THR 21 3.385 1.366 -5.548
156 H CYS 22 H CYS 22 -0.028 -1.352 -2.859
157 HA CYS 22 HA CYS 22 0.753 -1.312 -0.183
158 HB2 CYS 22 2HB CYS 22 -1.038 -2.993 0.127
159 HB3 CYS 22 1HB CYS 22 -1.552 -1.368 -0.329
160 H SER 23 H SER 23 1.589 -2.646 1.052
161 HA SER 23 HA SER 23 3.541 -4.377 -0.145
162 HB2 SER 23 2HB SER 23 4.226 -2.833 1.591
163 HB3 SER 23 1HB SER 23 3.005 -3.461 2.689
164 HG SER 23 HG SER 23 5.513 -4.344 2.148
165 H ARG 24 H ARG 24 3.894 -6.505 0.751
166 HA ARG 24 HA ARG 24 1.408 -7.848 1.548
167 HB2 ARG 24 2HB ARG 24 3.100 -8.543 -0.403
168 HB3 ARG 24 1HB ARG 24 3.859 -9.357 0.966
169 HG2 ARG 24 2HG ARG 24 1.037 -9.821 -0.047
170 HG3 ARG 24 1HG ARG 24 2.395 -10.924 -0.203
171 HD2 ARG 24 2HD ARG 24 2.447 -11.163 2.241
172 HD3 ARG 24 1HD ARG 24 1.105 -10.014 2.347
173 HE ARG 24 HE ARG 24 0.404 -12.116 0.644
174 HH11 ARG 24 1HH1 ARG 24 0.908 -11.561 4.151
175 HH12 ARG 24 2HH1 ARG 24 -0.246 -12.718 4.594
176 HH21 ARG 24 1HH2 ARG 24 -1.110 -13.690 1.294
177 HH22 ARG 24 2HH2 ARG 24 -1.392 -14.011 2.951
178 H ARG 25 H ARG 25 4.749 -7.134 2.400
179 HA ARG 25 HA ARG 25 5.020 -8.815 4.627
180 HB2 ARG 25 2HB ARG 25 6.844 -7.531 3.460
181 HB3 ARG 25 1HB ARG 25 6.218 -6.073 4.228
182 HG2 ARG 25 2HG ARG 25 6.541 -7.234 6.399
183 HG3 ARG 25 1HG ARG 25 7.423 -8.472 5.484
184 HD2 ARG 25 2HD ARG 25 9.021 -6.920 6.399
185 HD3 ARG 25 1HD ARG 25 8.938 -6.680 4.652
186 HE ARG 25 HE ARG 25 7.170 -4.869 5.614
187 HH11 ARG 25 1HH1 ARG 25 10.581 -5.494 6.281
188 HH12 ARG 25 2HH1 ARG 25 10.904 -3.927 6.860
189 HH21 ARG 25 1HH2 ARG 25 7.567 -2.791 6.328
190 HH22 ARG 25 2HH2 ARG 25 9.107 -2.268 6.856
191 H ASP 26 H ASP 26 4.127 -5.442 4.238
192 HA ASP 26 HA ASP 26 3.262 -5.274 6.985
193 HB2 ASP 26 2HB ASP 26 3.548 -3.224 4.818
194 HB3 ASP 26 1HB ASP 26 3.022 -2.908 6.456
195 H ARG 27 H ARG 27 1.916 -5.854 3.875
196 HA ARG 27 HA ARG 27 0.028 -5.593 2.868
197 HB2 ARG 27 2HB ARG 27 -1.154 -6.442 5.510
198 HB3 ARG 27 1HB ARG 27 -1.872 -6.494 3.890
199 HG2 ARG 27 2HG ARG 27 0.002 -8.019 3.243
200 HG3 ARG 27 1HG ARG 27 0.352 -8.157 4.968
201 HD2 ARG 27 2HD ARG 27 -1.053 -9.983 4.412
202 HD3 ARG 27 1HD ARG 27 -2.065 -8.832 5.282
203 HE ARG 27 HE ARG 27 -2.083 -9.312 2.380
204 HH11 ARG 27 1HH1 ARG 27 -3.692 -7.931 5.233
205 HH12 ARG 27 2HH1 ARG 27 -5.187 -7.721 4.467
206 HH21 ARG 27 1HH2 ARG 27 -4.182 -9.037 1.312
207 HH22 ARG 27 2HH2 ARG 27 -5.461 -8.335 2.191
208 H TRP 28 H TRP 28 0.887 -3.118 4.289
209 HA TRP 28 HA TRP 28 -1.720 -1.862 4.096
210 HB2 TRP 28 2HB TRP 28 -0.731 0.116 5.255
211 HB3 TRP 28 1HB TRP 28 -0.704 -1.344 6.212
212 HD1 TRP 28 HD TRP 28 2.089 -0.546 3.671
213 HE1 TRP 28 1HE TRP 28 4.284 -0.177 5.036
214 HE3 TRP 28 3HE TRP 28 0.135 -0.665 8.318
215 HZ2 TRP 28 2HZ TRP 28 5.019 0.078 7.730
216 HZ3 TRP 28 3HZ TRP 28 1.607 -0.344 10.257
217 HH2 TRP 28 HH TRP 28 4.020 0.023 9.960
218 H CYS 29 H CYS 29 -1.455 0.468 3.227
219 HA CYS 29 HA CYS 29 -0.350 0.183 0.571
220 HB2 CYS 29 2HB CYS 29 -2.624 1.185 1.122
221 HB3 CYS 29 1HB CYS 29 -1.762 2.537 1.838
222 H LYS 30 H LYS 30 1.766 0.225 0.687
223 HA LYS 30 HA LYS 30 3.229 1.840 2.538
224 HB2 LYS 30 2HB LYS 30 3.803 -0.478 2.038
225 HB3 LYS 30 1HB LYS 30 3.963 -0.088 0.342
226 HG2 LYS 30 2HG LYS 30 5.839 1.417 0.962
227 HG3 LYS 30 1HG LYS 30 5.734 0.761 2.606
228 HD2 LYS 30 2HD LYS 30 6.020 -1.517 1.675
229 HD3 LYS 30 1HD LYS 30 6.219 -0.818 0.072
230 HE2 LYS 30 2HE LYS 30 8.172 0.447 0.951
231 HE3 LYS 30 1HE LYS 30 8.006 -0.445 2.462
232 HZ1 LYS 30 1HZ LYS 30 9.650 -1.529 1.083
233 HZ2 LYS 30 2HZ LYS 30 8.592 -1.613 -0.209
234 HZ3 LYS 30 3HZ LYS 30 8.288 -2.507 1.180
235 H TYR 31 H TYR 31 3.882 3.853 2.001
236 HA TYR 31 HA TYR 31 3.542 4.946 -0.584
237 HB2 TYR 31 2HB TYR 31 3.773 6.254 1.607
238 HB3 TYR 31 1HB TYR 31 5.502 5.911 1.471
239 HD1 TYR 31 1HD TYR 31 2.686 7.564 -0.242
240 HD2 TYR 31 2HD TYR 31 6.907 7.281 0.116
241 HE1 TYR 31 1HE TYR 31 2.921 9.533 -1.650
242 HE2 TYR 31 2HE TYR 31 7.157 9.265 -1.305
243 HH TYR 31 HH TYR 31 5.884 10.478 -2.997
244 H TYR 32 H TYR 32 4.814 4.805 -2.256
245 HA TYR 32 HA TYR 32 6.947 2.932 -2.121
246 HB2 TYR 32 2HB TYR 32 5.290 3.074 -3.920
247 HB3 TYR 32 1HB TYR 32 6.034 4.580 -4.474
248 HD1 TYR 32 1HD TYR 32 6.307 1.006 -4.171
249 HD2 TYR 32 2HD TYR 32 8.228 4.504 -5.528
250 HE1 TYR 32 1HE TYR 32 7.864 -0.385 -5.450
251 HE2 TYR 32 2HE TYR 32 9.814 3.159 -6.832
252 HH TYR 32 HH TYR 32 10.728 0.845 -6.755
253 H LEU 33 H LEU 33 8.842 3.430 -1.617
254 HA LEU 33 HA LEU 33 9.841 6.127 -2.137
255 HB2 LEU 33 2HB LEU 33 9.793 5.450 0.236
256 HB3 LEU 33 1HB LEU 33 10.824 4.086 -0.122
257 HG LEU 33 HG LEU 33 12.671 5.617 -0.657
258 HD11 LEU 33 1HD1 LEU 33 12.440 8.006 -0.159
259 HD12 LEU 33 2HD1 LEU 33 10.716 7.776 0.126
260 HD13 LEU 33 3HD1 LEU 33 11.391 7.509 -1.483
261 HD21 LEU 33 1HD2 LEU 33 13.055 6.431 1.609
262 HD22 LEU 33 2HD2 LEU 33 12.380 4.801 1.632
263 HD23 LEU 33 3HD2 LEU 33 11.354 6.186 1.993
264 HN1 NH2 34 1H LEU 33 11.949 3.437 -1.456
265 HN2 NH2 34 2H LEU 33 12.599 3.293 -3.048
Start of MODEL 13
1 H1 ASP 1 1HT ASP 1 -12.026 7.146 -6.292
2 H2 ASP 1 2HT ASP 1 -11.701 5.508 -6.065
3 H3 ASP 1 3HT ASP 1 -10.537 6.486 -6.761
4 HA ASP 1 HA ASP 1 -10.301 7.700 -4.683
5 HB2 ASP 1 2HB ASP 1 -11.344 6.806 -2.667
6 HB3 ASP 1 1HB ASP 1 -12.594 7.236 -3.826
7 H CYS 2 H CYS 2 -8.988 6.714 -2.869
8 HA CYS 2 HA CYS 2 -7.835 4.121 -3.558
9 HB2 CYS 2 2HB CYS 2 -5.576 5.144 -3.502
10 HB3 CYS 2 1HB CYS 2 -6.509 5.699 -4.862
11 H LEU 3 H LEU 3 -5.683 4.404 -1.911
12 HA LEU 3 HA LEU 3 -6.957 4.549 0.706
13 HB2 LEU 3 2HB LEU 3 -4.717 2.837 -0.301
14 HB3 LEU 3 1HB LEU 3 -5.234 2.892 1.375
15 HG LEU 3 HG LEU 3 -6.847 1.876 -0.968
16 HD11 LEU 3 1HD1 LEU 3 -5.055 0.386 -0.319
17 HD12 LEU 3 2HD1 LEU 3 -6.618 -0.292 0.145
18 HD13 LEU 3 3HD1 LEU 3 -5.582 0.453 1.361
19 HD21 LEU 3 1HD2 LEU 3 -8.313 2.914 0.681
20 HD22 LEU 3 2HD2 LEU 3 -7.545 1.988 1.969
21 HD23 LEU 3 3HD2 LEU 3 -8.485 1.160 0.729
22 H GLY 4 H GLY 4 -5.463 5.163 2.394
23 HA2 GLY 4 2HA GLY 4 -3.610 7.069 1.353
24 HA3 GLY 4 1HA GLY 4 -4.159 7.015 3.047
25 H TRP 5 H TRP 5 -2.858 5.809 4.556
26 HA TRP 5 HA TRP 5 -0.749 4.335 3.341
27 HB2 TRP 5 2HB TRP 5 -0.143 6.521 4.463
28 HB3 TRP 5 1HB TRP 5 -0.584 5.732 5.964
29 HD1 TRP 5 HD TRP 5 0.734 3.030 5.857
30 HE1 TRP 5 1HE TRP 5 3.293 2.696 5.798
31 HE3 TRP 5 3HE TRP 5 2.054 7.564 4.001
32 HZ2 TRP 5 2HZ TRP 5 5.573 4.194 5.046
33 HZ3 TRP 5 3HZ TRP 5 4.440 8.049 3.636
34 HH2 TRP 5 HH TRP 5 6.160 6.398 4.149
35 H PHE 6 H PHE 6 -2.042 4.543 6.506
36 HA PHE 6 HA PHE 6 -1.533 1.675 6.815
37 HB2 PHE 6 2HB PHE 6 -2.649 3.636 8.853
38 HB3 PHE 6 1HB PHE 6 -2.169 1.975 9.184
39 HD1 PHE 6 1HD PHE 6 -1.187 5.352 9.125
40 HD2 PHE 6 2HD PHE 6 0.287 1.383 8.700
41 HE1 PHE 6 1HE PHE 6 1.076 6.136 9.655
42 HE2 PHE 6 2HE PHE 6 2.544 2.163 9.229
43 HZ PHE 6 HZ PHE 6 2.937 4.541 9.711
44 H LYS 7 H LYS 7 -3.259 1.921 4.958
45 HA LYS 7 HA LYS 7 -5.724 0.859 6.138
46 HB2 LYS 7 2HB LYS 7 -5.245 1.689 3.302
47 HB3 LYS 7 1HB LYS 7 -6.754 1.241 4.033
48 HG2 LYS 7 2HG LYS 7 -5.222 3.753 4.709
49 HG3 LYS 7 1HG LYS 7 -6.670 3.667 3.706
50 HD2 LYS 7 2HD LYS 7 -7.932 2.786 5.624
51 HD3 LYS 7 1HD LYS 7 -6.479 2.894 6.617
52 HE2 LYS 7 2HE LYS 7 -6.424 5.325 6.229
53 HE3 LYS 7 1HE LYS 7 -7.910 5.191 5.293
54 HZ1 LYS 7 1HZ LYS 7 -7.605 4.502 8.160
55 HZ2 LYS 7 2HZ LYS 7 -9.027 4.349 7.262
56 HZ3 LYS 7 3HZ LYS 7 -8.373 5.878 7.555
57 H SER 8 H SER 8 -6.183 -1.242 5.550
58 HA SER 8 HA SER 8 -3.995 -2.817 4.847
59 HB2 SER 8 2HB SER 8 -6.882 -3.484 5.073
60 HB3 SER 8 1HB SER 8 -5.492 -4.526 5.318
61 HG SER 8 HG SER 8 -4.853 -2.950 6.948
62 H CYS 9 H CYS 9 -3.745 -3.873 3.004
63 HA CYS 9 HA CYS 9 -5.663 -3.730 0.863
64 HB2 CYS 9 2HB CYS 9 -4.639 -1.642 0.677
65 HB3 CYS 9 1HB CYS 9 -3.022 -2.373 0.738
66 H ASP 10 H ASP 10 -4.689 -4.705 -0.993
67 HA ASP 10 HA ASP 10 -2.813 -6.837 -0.263
68 HB2 ASP 10 2HB ASP 10 -5.180 -7.687 -0.491
69 HB3 ASP 10 1HB ASP 10 -5.124 -7.180 -2.176
70 HA PRO 11 HA PRO 11 -0.543 -4.694 -3.511
71 HB2 PRO 11 2HB PRO 11 0.979 -7.023 -4.056
72 HB3 PRO 11 1HB PRO 11 1.450 -5.645 -3.055
73 HG2 PRO 11 2HG PRO 11 0.285 -8.267 -2.245
74 HG3 PRO 11 1HG PRO 11 1.403 -7.222 -1.353
75 HD2 PRO 11 2HD PRO 11 -1.100 -7.448 -0.675
76 HD3 PRO 11 1HD PRO 11 -0.293 -5.871 -0.591
77 H LYS 12 H LYS 12 -2.071 -7.809 -3.979
78 HA LYS 12 HA LYS 12 -1.775 -7.645 -6.868
79 HB2 LYS 12 2HB LYS 12 -3.113 -9.707 -5.127
80 HB3 LYS 12 1HB LYS 12 -2.865 -9.845 -6.862
81 HG2 LYS 12 2HG LYS 12 -0.480 -9.896 -6.596
82 HG3 LYS 12 1HG LYS 12 -0.614 -9.510 -4.884
83 HD2 LYS 12 2HD LYS 12 -0.112 -11.865 -5.188
84 HD3 LYS 12 1HD LYS 12 -1.722 -11.670 -4.502
85 HE2 LYS 12 2HE LYS 12 -2.719 -12.060 -6.677
86 HE3 LYS 12 1HE LYS 12 -1.122 -12.173 -7.418
87 HZ1 LYS 12 1HZ LYS 12 -0.676 -14.111 -6.055
88 HZ2 LYS 12 2HZ LYS 12 -2.074 -14.358 -6.962
89 HZ3 LYS 12 3HZ LYS 12 -2.191 -13.991 -5.335
90 H ASN 13 H ASN 13 -3.824 -6.417 -4.612
91 HA ASN 13 HA ASN 13 -5.942 -5.969 -6.586
92 HB2 ASN 13 2HB ASN 13 -6.498 -7.790 -4.887
93 HB3 ASN 13 1HB ASN 13 -6.413 -6.546 -3.655
94 HD21 ASN 13 1HD2 ASN 13 -7.712 -6.094 -6.878
95 HD22 ASN 13 2HD2 ASN 13 -9.333 -5.792 -6.374
96 H ASP 14 H ASP 14 -3.875 -4.433 -6.125
97 HA ASP 14 HA ASP 14 -3.704 -2.719 -3.933
98 HB2 ASP 14 2HB ASP 14 -1.988 -3.128 -5.636
99 HB3 ASP 14 1HB ASP 14 -2.916 -2.118 -6.751
100 H LYS 15 H LYS 15 -4.733 -1.043 -3.339
101 HA LYS 15 HA LYS 15 -6.606 0.328 -5.134
102 HB2 LYS 15 2HB LYS 15 -6.819 -0.213 -2.184
103 HB3 LYS 15 1HB LYS 15 -7.907 0.804 -3.107
104 HG2 LYS 15 2HG LYS 15 -8.405 -1.244 -4.510
105 HG3 LYS 15 1HG LYS 15 -7.508 -2.175 -3.315
106 HD2 LYS 15 2HD LYS 15 -9.989 -0.521 -2.789
107 HD3 LYS 15 1HD LYS 15 -9.926 -2.273 -2.916
108 HE2 LYS 15 2HE LYS 15 -8.431 -2.316 -0.933
109 HE3 LYS 15 1HE LYS 15 -8.601 -0.566 -0.814
110 HZ1 LYS 15 1HZ LYS 15 -10.830 -2.526 -0.585
111 HZ2 LYS 15 2HZ LYS 15 -10.994 -0.864 -0.525
112 HZ3 LYS 15 3HZ LYS 15 -10.158 -1.649 0.687
113 H CYS 16 H CYS 16 -3.748 0.855 -4.449
114 HA CYS 16 HA CYS 16 -3.858 3.140 -2.703
115 HB2 CYS 16 2HB CYS 16 -1.649 1.656 -4.059
116 HB3 CYS 16 1HB CYS 16 -1.383 3.163 -3.187
117 H CYS 17 H CYS 17 -3.001 5.180 -3.273
118 HA CYS 17 HA CYS 17 -3.676 5.972 -5.928
119 HB2 CYS 17 2HB CYS 17 -3.229 7.297 -3.356
120 HB3 CYS 17 1HB CYS 17 -2.575 8.170 -4.717
121 H LYS 18 H LYS 18 -2.065 7.845 -6.490
122 HA LYS 18 HA LYS 18 0.162 6.679 -7.675
123 HB2 LYS 18 2HB LYS 18 -1.014 8.682 -8.485
124 HB3 LYS 18 1HB LYS 18 -0.380 9.582 -7.115
125 HG2 LYS 18 2HG LYS 18 1.835 9.279 -7.869
126 HG3 LYS 18 1HG LYS 18 1.282 8.233 -9.183
127 HD2 LYS 18 2HD LYS 18 1.718 10.429 -10.116
128 HD3 LYS 18 1HD LYS 18 -0.020 10.139 -10.093
129 HE2 LYS 18 2HE LYS 18 0.405 12.413 -9.375
130 HE3 LYS 18 1HE LYS 18 -0.174 11.481 -8.001
131 HZ1 LYS 18 1HZ LYS 18 2.652 12.208 -8.556
132 HZ2 LYS 18 2HZ LYS 18 2.178 11.259 -7.280
133 HZ3 LYS 18 3HZ LYS 18 1.691 12.858 -7.347
134 H ASN 19 H ASN 19 2.180 6.410 -7.056
135 HA ASN 19 HA ASN 19 4.147 6.453 -6.012
136 HB2 ASN 19 2HB ASN 19 3.552 9.031 -5.769
137 HB3 ASN 19 1HB ASN 19 3.326 8.611 -4.084
138 HD21 ASN 19 1HD2 ASN 19 5.528 6.655 -4.081
139 HD22 ASN 19 2HD2 ASN 19 6.986 7.571 -4.126
140 H TYR 20 H TYR 20 1.343 5.584 -4.697
141 HA TYR 20 HA TYR 20 2.603 4.413 -2.333
142 HB2 TYR 20 2HB TYR 20 -0.297 4.914 -2.971
143 HB3 TYR 20 1HB TYR 20 0.236 3.888 -1.669
144 HD1 TYR 20 1HD TYR 20 1.294 4.848 0.331
145 HD2 TYR 20 2HD TYR 20 -0.248 7.323 -2.762
146 HE1 TYR 20 1HE TYR 20 1.296 6.736 1.869
147 HE2 TYR 20 2HE TYR 20 -0.254 9.234 -1.234
148 HH TYR 20 HH TYR 20 1.344 9.219 1.779
149 H THR 21 H THR 21 1.916 2.246 -1.937
150 HA THR 21 HA THR 21 0.729 0.624 -3.989
151 HB THR 21 HB THR 21 3.536 0.081 -3.176
152 HG1 THR 21 1HG THR 21 2.642 1.827 -5.011
153 HG21 THR 21 1HG2 THR 21 3.545 -1.494 -5.097
154 HG22 THR 21 2HG2 THR 21 1.866 -1.059 -5.409
155 HG23 THR 21 3HG2 THR 21 2.300 -1.860 -3.901
156 H CYS 22 H CYS 22 -0.073 -1.169 -2.863
157 HA CYS 22 HA CYS 22 0.590 -1.037 -0.128
158 HB2 CYS 22 2HB CYS 22 -1.144 -2.831 0.089
159 HB3 CYS 22 1HB CYS 22 -1.697 -1.190 -0.274
160 H SER 23 H SER 23 1.687 -2.217 0.976
161 HA SER 23 HA SER 23 3.643 -3.839 -0.300
162 HB2 SER 23 2HB SER 23 4.246 -2.301 1.455
163 HB3 SER 23 1HB SER 23 3.105 -3.059 2.559
164 HG SER 23 HG SER 23 5.652 -3.749 1.875
165 H ARG 24 H ARG 24 4.211 -5.946 0.474
166 HA ARG 24 HA ARG 24 1.953 -7.588 1.359
167 HB2 ARG 24 2HB ARG 24 2.963 -8.252 -0.720
168 HB3 ARG 24 1HB ARG 24 4.543 -8.253 0.060
169 HG2 ARG 24 2HG ARG 24 3.724 -10.554 -0.272
170 HG3 ARG 24 1HG ARG 24 3.905 -10.161 1.430
171 HD2 ARG 24 2HD ARG 24 1.452 -9.744 1.557
172 HD3 ARG 24 1HD ARG 24 1.310 -10.252 -0.129
173 HE ARG 24 HE ARG 24 2.693 -12.220 1.249
174 HH11 ARG 24 1HH1 ARG 24 -0.647 -11.017 1.112
175 HH12 ARG 24 2HH1 ARG 24 -1.316 -12.476 1.663
176 HH21 ARG 24 1HH2 ARG 24 1.747 -14.171 2.016
177 HH22 ARG 24 2HH2 ARG 24 0.052 -14.288 2.230
178 H ARG 25 H ARG 25 5.112 -6.379 2.174
179 HA ARG 25 HA ARG 25 5.576 -8.235 4.287
180 HB2 ARG 25 2HB ARG 25 7.290 -6.785 2.999
181 HB3 ARG 25 1HB ARG 25 6.747 -5.472 4.041
182 HG2 ARG 25 2HG ARG 25 7.221 -7.393 5.842
183 HG3 ARG 25 1HG ARG 25 8.404 -7.795 4.587
184 HD2 ARG 25 2HD ARG 25 9.459 -6.301 6.147
185 HD3 ARG 25 1HD ARG 25 9.155 -5.410 4.653
186 HE ARG 25 HE ARG 25 7.437 -4.221 5.691
187 HH11 ARG 25 1HH1 ARG 25 9.100 -6.402 7.969
188 HH12 ARG 25 2HH1 ARG 25 8.345 -5.740 9.347
189 HH21 ARG 25 1HH2 ARG 25 6.444 -3.328 7.630
190 HH22 ARG 25 2HH2 ARG 25 6.812 -4.009 9.152
191 H ASP 26 H ASP 26 4.540 -4.863 3.932
192 HA ASP 26 HA ASP 26 3.778 -4.693 6.703
193 HB2 ASP 26 2HB ASP 26 3.712 -2.637 4.481
194 HB3 ASP 26 1HB ASP 26 3.336 -2.369 6.152
195 H ARG 27 H ARG 27 2.320 -5.332 3.564
196 HA ARG 27 HA ARG 27 0.365 -5.250 2.704
197 HB2 ARG 27 2HB ARG 27 -0.452 -6.481 5.336
198 HB3 ARG 27 1HB ARG 27 -1.331 -6.495 3.797
199 HG2 ARG 27 2HG ARG 27 0.427 -7.666 2.714
200 HG3 ARG 27 1HG ARG 27 1.398 -7.651 4.182
201 HD2 ARG 27 2HD ARG 27 0.440 -9.794 4.036
202 HD3 ARG 27 1HD ARG 27 -0.490 -8.935 5.259
203 HE ARG 27 HE ARG 27 -1.562 -8.852 2.575
204 HH11 ARG 27 1HH1 ARG 27 -1.538 -10.552 5.687
205 HH12 ARG 27 2HH1 ARG 27 -3.043 -11.307 5.476
206 HH21 ARG 27 1HH2 ARG 27 -3.702 -9.957 2.275
207 HH22 ARG 27 2HH2 ARG 27 -4.266 -10.960 3.521
208 H TRP 28 H TRP 28 0.916 -2.776 4.297
209 HA TRP 28 HA TRP 28 -1.812 -1.785 4.000
210 HB2 TRP 28 2HB TRP 28 -1.084 0.216 5.359
211 HB3 TRP 28 1HB TRP 28 -1.029 -1.303 6.184
212 HD1 TRP 28 HD TRP 28 1.732 0.471 4.120
213 HE1 TRP 28 1HE TRP 28 3.812 0.599 5.717
214 HE3 TRP 28 3HE TRP 28 -0.336 -1.578 8.123
215 HZ2 TRP 28 2HZ TRP 28 4.385 -0.107 8.395
216 HZ3 TRP 28 3HZ TRP 28 0.909 -1.841 10.192
217 HH2 TRP 28 HH TRP 28 3.272 -1.114 10.346
218 H CYS 29 H CYS 29 -1.726 0.571 3.268
219 HA CYS 29 HA CYS 29 -0.529 0.517 0.643
220 HB2 CYS 29 2HB CYS 29 -2.851 1.404 1.204
221 HB3 CYS 29 1HB CYS 29 -2.048 2.760 1.984
222 H LYS 30 H LYS 30 1.602 0.690 0.819
223 HA LYS 30 HA LYS 30 2.733 2.525 2.738
224 HB2 LYS 30 2HB LYS 30 3.272 0.104 2.672
225 HB3 LYS 30 1HB LYS 30 3.907 0.319 1.065
226 HG2 LYS 30 2HG LYS 30 5.626 1.770 1.937
227 HG3 LYS 30 1HG LYS 30 4.963 1.563 3.572
228 HD2 LYS 30 2HD LYS 30 5.297 -0.859 3.405
229 HD3 LYS 30 1HD LYS 30 5.968 -0.654 1.791
230 HE2 LYS 30 2HE LYS 30 7.812 0.652 2.749
231 HE3 LYS 30 1HE LYS 30 7.125 0.413 4.355
232 HZ1 LYS 30 1HZ LYS 30 7.374 -1.981 4.065
233 HZ2 LYS 30 2HZ LYS 30 8.870 -1.210 3.917
234 HZ3 LYS 30 3HZ LYS 30 8.067 -1.741 2.543
235 H TYR 31 H TYR 31 4.291 4.014 2.025
236 HA TYR 31 HA TYR 31 3.807 5.112 -0.573
237 HB2 TYR 31 2HB TYR 31 4.451 6.291 1.672
238 HB3 TYR 31 1HB TYR 31 6.084 5.831 1.182
239 HD1 TYR 31 1HD TYR 31 3.101 7.670 -0.012
240 HD2 TYR 31 2HD TYR 31 7.311 7.216 -0.224
241 HE1 TYR 31 1HE TYR 31 3.235 9.693 -1.370
242 HE2 TYR 31 2HE TYR 31 7.465 9.243 -1.588
243 HH TYR 31 HH TYR 31 5.960 10.501 -3.108
244 H TYR 32 H TYR 32 4.844 4.530 -2.349
245 HA TYR 32 HA TYR 32 6.810 2.458 -2.230
246 HB2 TYR 32 2HB TYR 32 4.994 2.640 -3.942
247 HB3 TYR 32 1HB TYR 32 5.842 4.024 -4.618
248 HD1 TYR 32 1HD TYR 32 7.770 3.736 -5.962
249 HD2 TYR 32 2HD TYR 32 5.974 0.436 -4.039
250 HE1 TYR 32 1HE TYR 32 9.143 2.229 -7.324
251 HE2 TYR 32 2HE TYR 32 7.328 -1.119 -5.384
252 HH TYR 32 HH TYR 32 10.011 -0.048 -7.150
253 H LEU 33 H LEU 33 8.998 2.573 -2.787
254 HA LEU 33 HA LEU 33 10.113 5.254 -2.639
255 HB2 LEU 33 2HB LEU 33 11.519 2.570 -2.386
256 HB3 LEU 33 1HB LEU 33 12.313 4.118 -2.302
257 HG LEU 33 HG LEU 33 10.922 4.597 -0.239
258 HD11 LEU 33 1HD1 LEU 33 9.182 2.945 -0.555
259 HD12 LEU 33 2HD1 LEU 33 10.024 2.686 0.975
260 HD13 LEU 33 3HD1 LEU 33 10.368 1.649 -0.413
261 HD21 LEU 33 1HD2 LEU 33 12.852 2.297 -0.193
262 HD22 LEU 33 2HD2 LEU 33 12.339 3.225 1.213
263 HD23 LEU 33 3HD2 LEU 33 13.244 4.015 -0.080
264 HN1 NH2 34 1H LEU 33 11.401 2.432 -4.277
265 HN2 NH2 34 2H LEU 33 11.556 3.185 -5.824
Start of MODEL 14
1 H1 ASP 1 1HT ASP 1 -11.006 3.482 -5.955
2 H2 ASP 1 2HT ASP 1 -12.503 4.190 -5.703
3 H3 ASP 1 3HT ASP 1 -11.813 3.195 -4.517
4 HA ASP 1 HA ASP 1 -10.720 5.771 -5.431
5 HB2 ASP 1 2HB ASP 1 -12.753 5.949 -4.060
6 HB3 ASP 1 1HB ASP 1 -11.990 4.998 -2.778
7 H CYS 2 H CYS 2 -8.950 6.382 -3.925
8 HA CYS 2 HA CYS 2 -7.368 3.982 -3.568
9 HB2 CYS 2 2HB CYS 2 -5.389 5.500 -3.371
10 HB3 CYS 2 1HB CYS 2 -6.190 5.500 -4.918
11 H LEU 3 H LEU 3 -5.479 4.630 -1.791
12 HA LEU 3 HA LEU 3 -7.021 4.522 0.694
13 HB2 LEU 3 2HB LEU 3 -4.556 3.066 -0.169
14 HB3 LEU 3 1HB LEU 3 -5.284 2.939 1.425
15 HG LEU 3 HG LEU 3 -6.476 1.991 -1.188
16 HD11 LEU 3 1HD1 LEU 3 -6.200 -0.229 -0.219
17 HD12 LEU 3 2HD1 LEU 3 -5.413 0.489 1.187
18 HD13 LEU 3 3HD1 LEU 3 -4.660 0.607 -0.404
19 HD21 LEU 3 1HD2 LEU 3 -8.243 1.011 0.217
20 HD22 LEU 3 2HD2 LEU 3 -8.229 2.770 0.295
21 HD23 LEU 3 3HD2 LEU 3 -7.549 1.823 1.620
22 H GLY 4 H GLY 4 -5.551 5.004 2.551
23 HA2 GLY 4 2HA GLY 4 -3.806 7.135 1.792
24 HA3 GLY 4 1HA GLY 4 -4.281 6.771 3.471
25 H TRP 5 H TRP 5 -2.784 5.607 4.714
26 HA TRP 5 HA TRP 5 -0.651 4.385 3.271
27 HB2 TRP 5 2HB TRP 5 -0.143 6.497 4.569
28 HB3 TRP 5 1HB TRP 5 -0.495 5.566 6.011
29 HD1 TRP 5 HD TRP 5 1.071 2.966 5.548
30 HE1 TRP 5 1HE TRP 5 3.655 2.935 5.465
31 HE3 TRP 5 3HE TRP 5 1.857 7.837 4.335
32 HZ2 TRP 5 2HZ TRP 5 5.741 4.776 4.933
33 HZ3 TRP 5 3HZ TRP 5 4.169 8.636 4.052
34 HH2 TRP 5 HH TRP 5 6.062 7.134 4.344
35 H PHE 6 H PHE 6 -1.761 4.293 6.507
36 HA PHE 6 HA PHE 6 -1.033 1.486 6.777
37 HB2 PHE 6 2HB PHE 6 -2.437 3.257 8.799
38 HB3 PHE 6 1HB PHE 6 -1.600 1.740 9.121
39 HD1 PHE 6 1HD PHE 6 -1.374 5.246 9.044
40 HD2 PHE 6 2HD PHE 6 0.909 1.696 8.553
41 HE1 PHE 6 1HE PHE 6 0.678 6.506 9.483
42 HE2 PHE 6 2HE PHE 6 2.955 2.946 8.992
43 HZ PHE 6 HZ PHE 6 2.846 5.349 9.462
44 H LYS 7 H LYS 7 -3.293 2.286 5.055
45 HA LYS 7 HA LYS 7 -5.563 0.960 6.315
46 HB2 LYS 7 2HB LYS 7 -5.381 1.878 3.461
47 HB3 LYS 7 1HB LYS 7 -6.813 1.619 4.427
48 HG2 LYS 7 2HG LYS 7 -4.833 3.859 4.835
49 HG3 LYS 7 1HG LYS 7 -6.409 3.999 4.073
50 HD2 LYS 7 2HD LYS 7 -6.142 3.004 6.907
51 HD3 LYS 7 1HD LYS 7 -6.118 4.723 6.554
52 HE2 LYS 7 2HE LYS 7 -8.347 4.086 7.195
53 HE3 LYS 7 1HE LYS 7 -8.350 4.496 5.490
54 HZ1 LYS 7 1HZ LYS 7 -9.672 2.544 5.987
55 HZ2 LYS 7 2HZ LYS 7 -8.375 1.729 6.610
56 HZ3 LYS 7 3HZ LYS 7 -8.424 2.106 4.971
57 H SER 8 H SER 8 -6.288 -1.083 5.584
58 HA SER 8 HA SER 8 -4.304 -2.844 4.851
59 HB2 SER 8 2HB SER 8 -7.236 -3.274 4.698
60 HB3 SER 8 1HB SER 8 -5.956 -4.370 5.192
61 HG SER 8 HG SER 8 -6.671 -3.785 7.103
62 H CYS 9 H CYS 9 -3.911 -3.709 2.954
63 HA CYS 9 HA CYS 9 -5.672 -3.319 0.680
64 HB2 CYS 9 2HB CYS 9 -4.171 -1.446 0.652
65 HB3 CYS 9 1HB CYS 9 -2.793 -2.561 0.688
66 H ASP 10 H ASP 10 -4.438 -4.410 -1.184
67 HA ASP 10 HA ASP 10 -3.242 -6.913 -0.279
68 HB2 ASP 10 2HB ASP 10 -5.703 -7.239 -0.626
69 HB3 ASP 10 1HB ASP 10 -5.475 -6.754 -2.297
70 HA PRO 11 HA PRO 11 -0.454 -5.415 -3.409
71 HB2 PRO 11 2HB PRO 11 0.654 -7.931 -3.912
72 HB3 PRO 11 1HB PRO 11 1.274 -6.734 -2.758
73 HG2 PRO 11 2HG PRO 11 -0.416 -9.139 -2.307
74 HG3 PRO 11 1HG PRO 11 0.792 -8.387 -1.252
75 HD2 PRO 11 2HD PRO 11 -1.822 -8.169 -0.816
76 HD3 PRO 11 1HD PRO 11 -0.702 -6.838 -0.442
77 H LYS 12 H LYS 12 -2.532 -8.150 -4.002
78 HA LYS 12 HA LYS 12 -2.070 -7.887 -6.870
79 HB2 LYS 12 2HB LYS 12 -3.585 -9.946 -5.310
80 HB3 LYS 12 1HB LYS 12 -3.449 -9.921 -7.063
81 HG2 LYS 12 2HG LYS 12 -1.025 -10.158 -6.905
82 HG3 LYS 12 1HG LYS 12 -1.135 -10.179 -5.145
83 HD2 LYS 12 2HD LYS 12 -0.893 -12.430 -6.018
84 HD3 LYS 12 1HD LYS 12 -2.480 -12.233 -5.279
85 HE2 LYS 12 2HE LYS 12 -3.476 -11.930 -7.492
86 HE3 LYS 12 1HE LYS 12 -1.883 -12.081 -8.233
87 HZ1 LYS 12 1HZ LYS 12 -1.749 -14.328 -7.380
88 HZ2 LYS 12 2HZ LYS 12 -3.130 -14.143 -8.333
89 HZ3 LYS 12 3HZ LYS 12 -3.267 -14.172 -6.664
90 H ASN 13 H ASN 13 -3.971 -6.506 -4.663
91 HA ASN 13 HA ASN 13 -5.944 -5.753 -6.698
92 HB2 ASN 13 2HB ASN 13 -6.783 -7.547 -5.030
93 HB3 ASN 13 1HB ASN 13 -6.719 -6.273 -3.831
94 HD21 ASN 13 1HD2 ASN 13 -8.999 -7.693 -4.771
95 HD22 ASN 13 2HD2 ASN 13 -10.130 -6.541 -5.399
96 H ASP 14 H ASP 14 -3.749 -4.485 -6.131
97 HA ASP 14 HA ASP 14 -3.599 -2.706 -3.986
98 HB2 ASP 14 2HB ASP 14 -1.748 -3.136 -5.525
99 HB3 ASP 14 1HB ASP 14 -2.624 -2.262 -6.787
100 H LYS 15 H LYS 15 -4.571 -0.975 -3.509
101 HA LYS 15 HA LYS 15 -6.277 0.412 -5.449
102 HB2 LYS 15 2HB LYS 15 -6.737 -0.178 -2.545
103 HB3 LYS 15 1HB LYS 15 -7.725 0.896 -3.517
104 HG2 LYS 15 2HG LYS 15 -8.302 -1.020 -4.982
105 HG3 LYS 15 1HG LYS 15 -7.342 -2.070 -3.942
106 HD2 LYS 15 2HD LYS 15 -9.787 -0.507 -3.119
107 HD3 LYS 15 1HD LYS 15 -9.732 -2.234 -3.438
108 HE2 LYS 15 2HE LYS 15 -8.164 -2.534 -1.576
109 HE3 LYS 15 1HE LYS 15 -8.222 -0.801 -1.253
110 HZ1 LYS 15 1HZ LYS 15 -10.556 -0.988 -0.745
111 HZ2 LYS 15 2HZ LYS 15 -9.703 -2.105 0.196
112 HZ3 LYS 15 3HZ LYS 15 -10.548 -2.620 -1.155
113 H CYS 16 H CYS 16 -3.498 0.871 -4.612
114 HA CYS 16 HA CYS 16 -3.608 3.112 -2.822
115 HB2 CYS 16 2HB CYS 16 -1.392 1.669 -4.215
116 HB3 CYS 16 1HB CYS 16 -1.128 3.166 -3.321
117 H CYS 17 H CYS 17 -2.860 5.176 -3.312
118 HA CYS 17 HA CYS 17 -3.483 6.006 -5.998
119 HB2 CYS 17 2HB CYS 17 -3.526 7.246 -3.376
120 HB3 CYS 17 1HB CYS 17 -2.605 8.217 -4.500
121 H LYS 18 H LYS 18 -1.923 8.105 -6.263
122 HA LYS 18 HA LYS 18 0.417 7.048 -7.423
123 HB2 LYS 18 2HB LYS 18 -0.845 9.005 -8.223
124 HB3 LYS 18 1HB LYS 18 -0.371 9.869 -6.772
125 HG2 LYS 18 2HG LYS 18 1.902 9.807 -7.403
126 HG3 LYS 18 1HG LYS 18 1.524 8.773 -8.793
127 HD2 LYS 18 2HD LYS 18 1.819 11.090 -9.534
128 HD3 LYS 18 1HD LYS 18 0.151 10.557 -9.738
129 HE2 LYS 18 2HE LYS 18 -0.450 11.710 -7.630
130 HE3 LYS 18 1HE LYS 18 1.213 12.278 -7.497
131 HZ1 LYS 18 1HZ LYS 18 -0.654 12.925 -9.703
132 HZ2 LYS 18 2HZ LYS 18 0.927 13.478 -9.549
133 HZ3 LYS 18 3HZ LYS 18 -0.239 13.950 -8.417
134 H ASN 19 H ASN 19 2.417 6.868 -6.769
135 HA ASN 19 HA ASN 19 4.324 7.086 -5.607
136 HB2 ASN 19 2HB ASN 19 2.740 9.117 -4.146
137 HB3 ASN 19 1HB ASN 19 4.334 8.660 -3.510
138 HD21 ASN 19 1HD2 ASN 19 6.137 9.284 -4.704
139 HD22 ASN 19 2HD2 ASN 19 6.083 10.464 -5.951
140 H TYR 20 H TYR 20 1.590 5.689 -4.557
141 HA TYR 20 HA TYR 20 2.958 4.419 -2.316
142 HB2 TYR 20 2HB TYR 20 0.043 5.022 -2.687
143 HB3 TYR 20 1HB TYR 20 0.668 3.928 -1.484
144 HD1 TYR 20 1HD TYR 20 1.681 4.733 0.534
145 HD2 TYR 20 2HD TYR 20 0.442 7.473 -2.472
146 HE1 TYR 20 1HE TYR 20 1.893 6.563 2.132
147 HE2 TYR 20 2HE TYR 20 0.656 9.322 -0.878
148 HH TYR 20 HH TYR 20 0.534 9.528 1.647
149 H THR 21 H THR 21 2.221 2.236 -1.994
150 HA THR 21 HA THR 21 0.845 0.745 -4.022
151 HB THR 21 HB THR 21 3.694 0.066 -3.497
152 HG1 THR 21 1HG THR 21 2.673 1.964 -5.153
153 HG21 THR 21 1HG2 THR 21 3.496 -1.246 -5.605
154 HG22 THR 21 2HG2 THR 21 1.793 -0.781 -5.675
155 HG23 THR 21 3HG2 THR 21 2.397 -1.754 -4.324
156 H CYS 22 H CYS 22 0.093 -1.108 -2.920
157 HA CYS 22 HA CYS 22 0.887 -1.110 -0.210
158 HB2 CYS 22 2HB CYS 22 -0.869 -2.797 0.074
159 HB3 CYS 22 1HB CYS 22 -1.426 -1.180 -0.362
160 H SER 23 H SER 23 1.862 -2.431 0.902
161 HA SER 23 HA SER 23 3.644 -4.304 -0.385
162 HB2 SER 23 2HB SER 23 4.555 -2.773 1.256
163 HB3 SER 23 1HB SER 23 3.337 -3.231 2.434
164 HG SER 23 HG SER 23 5.726 -4.435 1.774
165 H ARG 24 H ARG 24 3.939 -6.476 0.636
166 HA ARG 24 HA ARG 24 1.393 -7.652 1.545
167 HB2 ARG 24 2HB ARG 24 2.890 -8.486 -0.477
168 HB3 ARG 24 1HB ARG 24 3.795 -9.252 0.826
169 HG2 ARG 24 2HG ARG 24 0.868 -9.748 0.169
170 HG3 ARG 24 1HG ARG 24 2.198 -10.827 -0.220
171 HD2 ARG 24 2HD ARG 24 1.284 -10.040 2.541
172 HD3 ARG 24 1HD ARG 24 0.866 -11.541 1.727
173 HE ARG 24 HE ARG 24 3.676 -11.249 1.830
174 HH11 ARG 24 1HH1 ARG 24 0.951 -12.043 3.990
175 HH12 ARG 24 2HH1 ARG 24 1.893 -12.985 5.029
176 HH21 ARG 24 1HH2 ARG 24 4.933 -12.489 3.269
177 HH22 ARG 24 2HH2 ARG 24 4.251 -13.264 4.634
178 H ARG 25 H ARG 25 4.739 -6.983 2.240
179 HA ARG 25 HA ARG 25 5.158 -8.593 4.489
180 HB2 ARG 25 2HB ARG 25 6.854 -7.216 3.186
181 HB3 ARG 25 1HB ARG 25 6.229 -5.808 4.039
182 HG2 ARG 25 2HG ARG 25 6.733 -7.110 6.146
183 HG3 ARG 25 1HG ARG 25 7.700 -8.155 5.084
184 HD2 ARG 25 2HD ARG 25 9.163 -6.492 6.035
185 HD3 ARG 25 1HD ARG 25 8.922 -6.112 4.326
186 HE ARG 25 HE ARG 25 6.983 -4.720 5.678
187 HH11 ARG 25 1HH1 ARG 25 10.531 -4.667 5.592
188 HH12 ARG 25 2HH1 ARG 25 10.615 -3.060 6.183
189 HH21 ARG 25 1HH2 ARG 25 7.129 -2.618 6.471
190 HH22 ARG 25 2HH2 ARG 25 8.652 -1.869 6.711
191 H ASP 26 H ASP 26 4.063 -5.266 4.047
192 HA ASP 26 HA ASP 26 3.251 -5.047 6.821
193 HB2 ASP 26 2HB ASP 26 3.393 -3.052 4.578
194 HB3 ASP 26 1HB ASP 26 2.776 -2.718 6.169
195 H ARG 27 H ARG 27 1.872 -5.642 3.675
196 HA ARG 27 HA ARG 27 -0.054 -5.527 2.727
197 HB2 ARG 27 2HB ARG 27 -1.198 -6.259 5.418
198 HB3 ARG 27 1HB ARG 27 -1.851 -6.519 3.788
199 HG2 ARG 27 2HG ARG 27 0.027 -7.987 3.281
200 HG3 ARG 27 1HG ARG 27 0.565 -7.832 4.953
201 HD2 ARG 27 2HD ARG 27 -0.644 -9.846 4.782
202 HD3 ARG 27 1HD ARG 27 -1.679 -8.710 5.647
203 HE ARG 27 HE ARG 27 -1.975 -9.351 2.777
204 HH11 ARG 27 1HH1 ARG 27 -3.477 -8.554 5.898
205 HH12 ARG 27 2HH1 ARG 27 -5.051 -8.868 5.345
206 HH21 ARG 27 1HH2 ARG 27 -4.108 -9.799 2.081
207 HH22 ARG 27 2HH2 ARG 27 -5.435 -9.598 3.127
208 H TRP 28 H TRP 28 0.805 -2.997 4.154
209 HA TRP 28 HA TRP 28 -1.804 -1.770 3.894
210 HB2 TRP 28 2HB TRP 28 -0.954 0.161 5.213
211 HB3 TRP 28 1HB TRP 28 -0.928 -1.332 6.098
212 HD1 TRP 28 HD TRP 28 1.936 -0.096 3.809
213 HE1 TRP 28 1HE TRP 28 4.022 0.259 5.362
214 HE3 TRP 28 3HE TRP 28 -0.213 -0.998 8.243
215 HZ2 TRP 28 2HZ TRP 28 4.603 0.198 8.083
216 HZ3 TRP 28 3HZ TRP 28 1.098 -0.820 10.300
217 HH2 TRP 28 HH TRP 28 3.488 -0.233 10.226
218 H CYS 29 H CYS 29 -1.479 0.593 3.149
219 HA CYS 29 HA CYS 29 -0.235 0.409 0.539
220 HB2 CYS 29 2HB CYS 29 -2.530 1.395 1.009
221 HB3 CYS 29 1HB CYS 29 -1.702 2.711 1.832
222 H LYS 30 H LYS 30 1.896 0.566 0.659
223 HA LYS 30 HA LYS 30 3.099 2.250 2.675
224 HB2 LYS 30 2HB LYS 30 3.594 -0.216 2.253
225 HB3 LYS 30 1HB LYS 30 4.335 0.299 0.753
226 HG2 LYS 30 2HG LYS 30 5.909 1.649 2.007
227 HG3 LYS 30 1HG LYS 30 5.153 1.094 3.514
228 HD2 LYS 30 2HD LYS 30 5.652 -1.249 2.825
229 HD3 LYS 30 1HD LYS 30 6.551 -0.611 1.451
230 HE2 LYS 30 2HE LYS 30 8.078 -1.180 3.221
231 HE3 LYS 30 1HE LYS 30 8.040 0.576 3.046
232 HZ1 LYS 30 1HZ LYS 30 6.562 0.683 4.942
233 HZ2 LYS 30 2HZ LYS 30 7.969 -0.114 5.368
234 HZ3 LYS 30 3HZ LYS 30 6.556 -1.000 5.078
235 H TYR 31 H TYR 31 4.590 3.855 2.013
236 HA TYR 31 HA TYR 31 4.148 5.098 -0.490
237 HB2 TYR 31 2HB TYR 31 5.052 6.201 1.659
238 HB3 TYR 31 1HB TYR 31 6.583 5.424 1.236
239 HD1 TYR 31 1HD TYR 31 8.088 6.462 -0.244
240 HD2 TYR 31 2HD TYR 31 4.062 7.821 -0.053
241 HE1 TYR 31 1HE TYR 31 8.657 8.353 -1.708
242 HE2 TYR 31 2HE TYR 31 4.618 9.706 -1.505
243 HH TYR 31 HH TYR 31 6.499 10.976 -2.233
244 H TYR 32 H TYR 32 5.212 4.804 -2.384
245 HA TYR 32 HA TYR 32 6.766 2.415 -2.524
246 HB2 TYR 32 2HB TYR 32 5.093 3.020 -4.214
247 HB3 TYR 32 1HB TYR 32 6.126 4.336 -4.767
248 HD1 TYR 32 1HD TYR 32 8.200 3.811 -5.982
249 HD2 TYR 32 2HD TYR 32 5.590 0.776 -4.645
250 HE1 TYR 32 1HE TYR 32 9.326 2.209 -7.473
251 HE2 TYR 32 2HE TYR 32 6.681 -0.857 -6.115
252 HH TYR 32 HH TYR 32 9.642 -0.178 -7.728
253 H LEU 33 H LEU 33 8.736 2.340 -2.189
254 HA LEU 33 HA LEU 33 10.443 4.693 -2.221
255 HB2 LEU 33 2HB LEU 33 11.070 1.839 -1.467
256 HB3 LEU 33 1HB LEU 33 12.095 3.227 -1.181
257 HG LEU 33 HG LEU 33 9.413 2.734 0.116
258 HD11 LEU 33 1HD1 LEU 33 11.125 1.181 0.877
259 HD12 LEU 33 2HD1 LEU 33 10.692 2.330 2.138
260 HD13 LEU 33 3HD1 LEU 33 12.199 2.531 1.242
261 HD21 LEU 33 1HD2 LEU 33 11.472 4.885 0.598
262 HD22 LEU 33 2HD2 LEU 33 10.014 4.625 1.555
263 HD23 LEU 33 3HD2 LEU 33 9.885 5.117 -0.133
264 HN1 NH2 34 1H LEU 33 10.490 4.986 -4.475
265 HN2 NH2 34 2H LEU 33 11.407 3.968 -5.519
Start of MODEL 15
1 H1 ASP 1 1HT ASP 1 -11.724 4.902 -5.259
2 H2 ASP 1 2HT ASP 1 -13.034 5.098 -4.196
3 H3 ASP 1 3HT ASP 1 -12.009 3.759 -4.068
4 HA ASP 1 HA ASP 1 -11.140 6.540 -3.607
5 HB2 ASP 1 2HB ASP 1 -10.971 5.927 -1.289
6 HB3 ASP 1 1HB ASP 1 -12.611 5.571 -1.811
7 H CYS 2 H CYS 2 -9.012 6.439 -2.517
8 HA CYS 2 HA CYS 2 -7.542 4.109 -3.427
9 HB2 CYS 2 2HB CYS 2 -5.546 5.585 -3.642
10 HB3 CYS 2 1HB CYS 2 -6.753 5.793 -4.879
11 H LEU 3 H LEU 3 -5.452 4.012 -2.279
12 HA LEU 3 HA LEU 3 -6.165 4.163 0.554
13 HB2 LEU 3 2HB LEU 3 -4.171 2.366 -0.821
14 HB3 LEU 3 1HB LEU 3 -4.628 2.307 0.866
15 HG LEU 3 HG LEU 3 -6.436 1.673 -1.467
16 HD11 LEU 3 1HD1 LEU 3 -6.339 -0.604 -0.652
17 HD12 LEU 3 2HD1 LEU 3 -5.211 -0.108 0.607
18 HD13 LEU 3 3HD1 LEU 3 -4.733 -0.017 -1.092
19 HD21 LEU 3 1HD2 LEU 3 -7.703 2.626 0.361
20 HD22 LEU 3 2HD2 LEU 3 -6.933 1.521 1.498
21 HD23 LEU 3 3HD2 LEU 3 -8.004 0.891 0.247
22 H GLY 4 H GLY 4 -4.894 5.301 1.872
23 HA2 GLY 4 2HA GLY 4 -2.860 6.744 0.554
24 HA3 GLY 4 1HA GLY 4 -3.403 7.049 2.220
25 H TRP 5 H TRP 5 -2.327 5.843 3.957
26 HA TRP 5 HA TRP 5 -0.250 4.176 2.961
27 HB2 TRP 5 2HB TRP 5 0.435 6.364 4.023
28 HB3 TRP 5 1HB TRP 5 -0.155 5.685 5.529
29 HD1 TRP 5 HD TRP 5 0.972 2.843 5.574
30 HE1 TRP 5 1HE TRP 5 3.487 2.304 5.652
31 HE3 TRP 5 3HE TRP 5 2.747 7.267 3.792
32 HZ2 TRP 5 2HZ TRP 5 5.927 3.635 5.050
33 HZ3 TRP 5 3HZ TRP 5 5.185 7.565 3.576
34 HH2 TRP 5 HH TRP 5 6.732 5.786 4.196
35 H PHE 6 H PHE 6 -1.865 4.733 5.911
36 HA PHE 6 HA PHE 6 -1.326 2.007 6.760
37 HB2 PHE 6 2HB PHE 6 -2.791 4.234 8.201
38 HB3 PHE 6 1HB PHE 6 -2.283 2.704 8.911
39 HD1 PHE 6 1HD PHE 6 0.094 2.252 9.262
40 HD2 PHE 6 2HD PHE 6 -1.309 6.029 7.892
41 HE1 PHE 6 1HE PHE 6 2.222 3.276 9.898
42 HE2 PHE 6 2HE PHE 6 0.823 7.052 8.525
43 HZ PHE 6 HZ PHE 6 2.584 5.677 9.531
44 H LYS 7 H LYS 7 -3.107 2.235 4.601
45 HA LYS 7 HA LYS 7 -5.551 1.135 5.788
46 HB2 LYS 7 2HB LYS 7 -4.977 1.908 2.945
47 HB3 LYS 7 1HB LYS 7 -6.453 1.197 3.527
48 HG2 LYS 7 2HG LYS 7 -5.421 3.891 4.389
49 HG3 LYS 7 1HG LYS 7 -6.705 3.622 3.205
50 HD2 LYS 7 2HD LYS 7 -8.002 2.431 4.961
51 HD3 LYS 7 1HD LYS 7 -6.745 2.849 6.125
52 HE2 LYS 7 2HE LYS 7 -8.556 4.396 6.331
53 HE3 LYS 7 1HE LYS 7 -7.161 5.235 5.664
54 HZ1 LYS 7 1HZ LYS 7 -9.495 4.247 4.092
55 HZ2 LYS 7 2HZ LYS 7 -8.163 5.056 3.452
56 HZ3 LYS 7 3HZ LYS 7 -9.188 5.849 4.520
57 H SER 8 H SER 8 -6.200 -0.915 5.163
58 HA SER 8 HA SER 8 -4.143 -2.764 4.814
59 HB2 SER 8 2HB SER 8 -7.017 -3.301 4.427
60 HB3 SER 8 1HB SER 8 -5.788 -4.228 5.274
61 HG SER 8 HG SER 8 -5.713 -2.509 6.857
62 H CYS 9 H CYS 9 -3.529 -3.588 2.959
63 HA CYS 9 HA CYS 9 -5.237 -3.333 0.608
64 HB2 CYS 9 2HB CYS 9 -3.718 -1.530 0.494
65 HB3 CYS 9 1HB CYS 9 -2.345 -2.641 0.689
66 H ASP 10 H ASP 10 -4.418 -4.551 -1.094
67 HA ASP 10 HA ASP 10 -3.197 -7.105 -0.268
68 HB2 ASP 10 2HB ASP 10 -5.683 -7.319 -0.572
69 HB3 ASP 10 1HB ASP 10 -5.483 -6.769 -2.234
70 HA PRO 11 HA PRO 11 -0.417 -5.624 -3.404
71 HB2 PRO 11 2HB PRO 11 0.679 -8.074 -4.003
72 HB3 PRO 11 1HB PRO 11 1.264 -6.993 -2.718
73 HG2 PRO 11 2HG PRO 11 -0.522 -9.380 -2.579
74 HG3 PRO 11 1HG PRO 11 0.726 -8.838 -1.441
75 HD2 PRO 11 2HD PRO 11 -1.869 -8.492 -0.938
76 HD3 PRO 11 1HD PRO 11 -0.677 -7.254 -0.477
77 H LYS 12 H LYS 12 -2.524 -8.326 -3.987
78 HA LYS 12 HA LYS 12 -2.030 -8.261 -6.839
79 HB2 LYS 12 2HB LYS 12 -4.069 -9.818 -5.260
80 HB3 LYS 12 1HB LYS 12 -3.675 -10.071 -6.955
81 HG2 LYS 12 2HG LYS 12 -1.473 -10.820 -6.378
82 HG3 LYS 12 1HG LYS 12 -1.736 -10.408 -4.681
83 HD2 LYS 12 2HD LYS 12 -3.602 -12.049 -4.633
84 HD3 LYS 12 1HD LYS 12 -3.184 -12.498 -6.287
85 HE2 LYS 12 2HE LYS 12 -0.985 -13.212 -5.573
86 HE3 LYS 12 1HE LYS 12 -1.319 -12.665 -3.935
87 HZ1 LYS 12 1HZ LYS 12 -1.573 -15.047 -4.156
88 HZ2 LYS 12 2HZ LYS 12 -2.752 -14.861 -5.334
89 HZ3 LYS 12 3HZ LYS 12 -3.046 -14.342 -3.750
90 H ASN 13 H ASN 13 -3.945 -6.658 -4.650
91 HA ASN 13 HA ASN 13 -5.706 -5.667 -6.801
92 HB2 ASN 13 2HB ASN 13 -6.813 -7.348 -5.171
93 HB3 ASN 13 1HB ASN 13 -6.667 -6.082 -3.964
94 HD21 ASN 13 1HD2 ASN 13 -9.070 -7.256 -4.973
95 HD22 ASN 13 2HD2 ASN 13 -10.010 -5.997 -5.677
96 H ASP 14 H ASP 14 -3.426 -4.580 -6.133
97 HA ASP 14 HA ASP 14 -3.296 -2.730 -4.036
98 HB2 ASP 14 2HB ASP 14 -1.421 -3.395 -5.470
99 HB3 ASP 14 1HB ASP 14 -2.130 -2.425 -6.774
100 H LYS 15 H LYS 15 -4.343 -1.040 -3.686
101 HA LYS 15 HA LYS 15 -5.661 0.448 -5.847
102 HB2 LYS 15 2HB LYS 15 -7.173 -1.009 -4.429
103 HB3 LYS 15 1HB LYS 15 -6.796 0.055 -3.077
104 HG2 LYS 15 2HG LYS 15 -7.679 1.942 -4.257
105 HG3 LYS 15 1HG LYS 15 -7.950 0.927 -5.674
106 HD2 LYS 15 2HD LYS 15 -10.060 1.333 -4.500
107 HD3 LYS 15 1HD LYS 15 -9.626 -0.371 -4.391
108 HE2 LYS 15 2HE LYS 15 -8.870 -0.073 -2.119
109 HE3 LYS 15 1HE LYS 15 -9.079 1.671 -2.239
110 HZ1 LYS 15 1HZ LYS 15 -11.328 -0.246 -2.521
111 HZ2 LYS 15 2HZ LYS 15 -11.417 1.441 -2.286
112 HZ3 LYS 15 3HZ LYS 15 -10.880 0.450 -1.065
113 H CYS 16 H CYS 16 -3.148 0.731 -4.612
114 HA CYS 16 HA CYS 16 -3.186 2.744 -2.655
115 HB2 CYS 16 2HB CYS 16 -1.118 1.501 -4.353
116 HB3 CYS 16 1HB CYS 16 -0.764 2.984 -3.461
117 H CYS 17 H CYS 17 -2.675 4.870 -2.758
118 HA CYS 17 HA CYS 17 -3.723 6.047 -5.130
119 HB2 CYS 17 2HB CYS 17 -4.029 6.677 -2.530
120 HB3 CYS 17 1HB CYS 17 -2.699 7.743 -2.927
121 H LYS 18 H LYS 18 -2.298 8.489 -4.896
122 HA LYS 18 HA LYS 18 -0.430 8.042 -6.909
123 HB2 LYS 18 2HB LYS 18 -1.710 10.087 -6.511
124 HB3 LYS 18 1HB LYS 18 -0.634 10.443 -5.165
125 HG2 LYS 18 2HG LYS 18 1.239 10.523 -6.565
126 HG3 LYS 18 1HG LYS 18 0.292 9.904 -7.919
127 HD2 LYS 18 2HD LYS 18 -0.290 12.500 -6.562
128 HD3 LYS 18 1HD LYS 18 0.825 12.376 -7.935
129 HE2 LYS 18 2HE LYS 18 -1.256 13.058 -8.869
130 HE3 LYS 18 1HE LYS 18 -1.140 11.341 -9.205
131 HZ1 LYS 18 1HZ LYS 18 -2.688 12.509 -6.954
132 HZ2 LYS 18 2HZ LYS 18 -2.769 10.891 -7.478
133 HZ3 LYS 18 3HZ LYS 18 -3.334 12.127 -8.436
134 H ASN 19 H ASN 19 1.385 7.096 -6.827
135 HA ASN 19 HA ASN 19 3.516 6.595 -6.450
136 HB2 ASN 19 2HB ASN 19 3.612 9.120 -6.131
137 HB3 ASN 19 1HB ASN 19 3.759 8.787 -4.408
138 HD21 ASN 19 1HD2 ASN 19 5.881 9.478 -4.194
139 HD22 ASN 19 2HD2 ASN 19 7.218 8.644 -4.897
140 H TYR 20 H TYR 20 1.322 5.744 -4.717
141 HA TYR 20 HA TYR 20 2.932 4.574 -2.554
142 HB2 TYR 20 2HB TYR 20 -0.037 4.785 -2.947
143 HB3 TYR 20 1HB TYR 20 0.691 3.770 -1.727
144 HD1 TYR 20 1HD TYR 20 2.047 4.898 0.102
145 HD2 TYR 20 2HD TYR 20 -0.481 7.041 -2.551
146 HE1 TYR 20 1HE TYR 20 1.923 6.725 1.719
147 HE2 TYR 20 2HE TYR 20 -0.614 8.884 -0.948
148 HH TYR 20 HH TYR 20 -0.397 9.107 1.515
149 H THR 21 H THR 21 2.340 2.228 -2.115
150 HA THR 21 HA THR 21 1.270 0.541 -4.153
151 HB THR 21 HB THR 21 4.151 0.155 -3.531
152 HG1 THR 21 1HG THR 21 3.042 1.951 -5.250
153 HG21 THR 21 1HG2 THR 21 2.999 -1.763 -4.395
154 HG22 THR 21 2HG2 THR 21 4.151 -1.182 -5.610
155 HG23 THR 21 3HG2 THR 21 2.432 -0.828 -5.788
156 H CYS 22 H CYS 22 0.627 -1.282 -2.969
157 HA CYS 22 HA CYS 22 1.318 -1.046 -0.236
158 HB2 CYS 22 2HB CYS 22 -0.380 -2.722 0.150
159 HB3 CYS 22 1HB CYS 22 -0.980 -1.206 -0.518
160 H SER 23 H SER 23 1.847 -2.557 1.165
161 HA SER 23 HA SER 23 3.843 -4.408 0.160
162 HB2 SER 23 2HB SER 23 4.481 -2.804 1.935
163 HB3 SER 23 1HB SER 23 3.160 -3.388 2.936
164 HG SER 23 HG SER 23 5.655 -4.401 2.533
165 H ARG 24 H ARG 24 3.864 -6.552 1.155
166 HA ARG 24 HA ARG 24 1.144 -7.530 1.668
167 HB2 ARG 24 2HB ARG 24 2.692 -8.418 -0.247
168 HB3 ARG 24 1HB ARG 24 3.507 -9.259 1.068
169 HG2 ARG 24 2HG ARG 24 0.576 -9.583 0.377
170 HG3 ARG 24 1HG ARG 24 1.850 -10.687 -0.134
171 HD2 ARG 24 2HD ARG 24 1.117 -10.038 2.705
172 HD3 ARG 24 1HD ARG 24 0.512 -11.434 1.824
173 HE ARG 24 HE ARG 24 3.074 -11.845 1.560
174 HH11 ARG 24 1HH1 ARG 24 1.570 -10.517 4.475
175 HH12 ARG 24 2HH1 ARG 24 2.435 -11.493 5.561
176 HH21 ARG 24 1HH2 ARG 24 4.299 -13.206 3.074
177 HH22 ARG 24 2HH2 ARG 24 4.002 -13.068 4.742
178 H ARG 25 H ARG 25 4.463 -7.424 2.740
179 HA ARG 25 HA ARG 25 4.237 -9.112 4.981
180 HB2 ARG 25 2HB ARG 25 6.298 -7.983 3.704
181 HB3 ARG 25 1HB ARG 25 6.077 -6.752 4.930
182 HG2 ARG 25 2HG ARG 25 6.715 -9.661 5.377
183 HG3 ARG 25 1HG ARG 25 7.810 -8.300 5.562
184 HD2 ARG 25 2HD ARG 25 5.370 -8.905 7.232
185 HD3 ARG 25 1HD ARG 25 7.049 -9.089 7.725
186 HE ARG 25 HE ARG 25 6.645 -6.441 6.954
187 HH11 ARG 25 1HH1 ARG 25 5.862 -8.651 9.590
188 HH12 ARG 25 2HH1 ARG 25 5.431 -7.433 10.697
189 HH21 ARG 25 1HH2 ARG 25 6.000 -4.742 8.457
190 HH22 ARG 25 2HH2 ARG 25 5.550 -5.182 10.039
191 H ASP 26 H ASP 26 4.163 -5.542 4.559
192 HA ASP 26 HA ASP 26 3.202 -5.162 7.224
193 HB2 ASP 26 2HB ASP 26 3.593 -3.174 4.976
194 HB3 ASP 26 1HB ASP 26 3.149 -2.828 6.611
195 H ARG 27 H ARG 27 1.829 -5.772 4.113
196 HA ARG 27 HA ARG 27 0.003 -5.357 3.077
197 HB2 ARG 27 2HB ARG 27 -0.707 -6.645 5.596
198 HB3 ARG 27 1HB ARG 27 -2.024 -5.942 4.639
199 HG2 ARG 27 2HG ARG 27 -1.337 -7.277 2.730
200 HG3 ARG 27 1HG ARG 27 0.012 -7.925 3.665
201 HD2 ARG 27 2HD ARG 27 -1.602 -8.868 5.264
202 HD3 ARG 27 1HD ARG 27 -2.915 -8.285 4.250
203 HE ARG 27 HE ARG 27 -2.084 -9.776 2.494
204 HH11 ARG 27 1HH1 ARG 27 -1.001 -10.428 5.825
205 HH12 ARG 27 2HH1 ARG 27 -0.864 -12.109 5.589
206 HH21 ARG 27 1HH2 ARG 27 -1.843 -12.094 2.178
207 HH22 ARG 27 2HH2 ARG 27 -1.352 -13.069 3.500
208 H TRP 28 H TRP 28 0.910 -2.939 4.408
209 HA TRP 28 HA TRP 28 -1.628 -1.538 4.115
210 HB2 TRP 28 2HB TRP 28 -0.539 0.419 5.209
211 HB3 TRP 28 1HB TRP 28 -0.638 -0.989 6.235
212 HD1 TRP 28 HD TRP 28 2.284 -0.453 3.760
213 HE1 TRP 28 1HE TRP 28 4.446 -0.163 5.188
214 HE3 TRP 28 3HE TRP 28 0.155 -0.330 8.289
215 HZ2 TRP 28 2HZ TRP 28 5.090 0.131 7.930
216 HZ3 TRP 28 3HZ TRP 28 1.548 -0.025 10.308
217 HH2 TRP 28 HH TRP 28 3.979 0.197 10.121
218 H CYS 29 H CYS 29 -1.126 0.723 3.177
219 HA CYS 29 HA CYS 29 0.077 0.254 0.555
220 HB2 CYS 29 2HB CYS 29 -2.208 1.257 0.888
221 HB3 CYS 29 1HB CYS 29 -1.426 2.614 1.685
222 H LYS 30 H LYS 30 2.173 0.458 0.511
223 HA LYS 30 HA LYS 30 3.498 2.120 2.453
224 HB2 LYS 30 2HB LYS 30 4.087 -0.260 1.995
225 HB3 LYS 30 1HB LYS 30 4.467 0.186 0.347
226 HG2 LYS 30 2HG LYS 30 6.256 1.619 1.172
227 HG3 LYS 30 1HG LYS 30 5.863 1.103 2.824
228 HD2 LYS 30 2HD LYS 30 6.298 -1.228 2.204
229 HD3 LYS 30 1HD LYS 30 6.718 -0.722 0.571
230 HE2 LYS 30 2HE LYS 30 8.570 0.607 1.485
231 HE3 LYS 30 1HE LYS 30 8.137 0.055 3.102
232 HZ1 LYS 30 1HZ LYS 30 9.925 -1.271 2.269
233 HZ2 LYS 30 2HZ LYS 30 9.096 -1.607 0.860
234 HZ3 LYS 30 3HZ LYS 30 8.540 -2.237 2.325
235 H TYR 31 H TYR 31 4.856 3.841 1.711
236 HA TYR 31 HA TYR 31 4.015 5.047 -0.736
237 HB2 TYR 31 2HB TYR 31 4.828 6.252 1.402
238 HB3 TYR 31 1HB TYR 31 6.447 5.808 0.863
239 HD1 TYR 31 1HD TYR 31 3.388 7.356 -0.614
240 HD2 TYR 31 2HD TYR 31 7.617 7.484 -0.228
241 HE1 TYR 31 1HE TYR 31 3.436 9.368 -1.989
242 HE2 TYR 31 2HE TYR 31 7.677 9.515 -1.611
243 HH TYR 31 HH TYR 31 4.915 11.308 -2.359
244 H TYR 32 H TYR 32 5.082 5.058 -2.698
245 HA TYR 32 HA TYR 32 6.936 2.936 -3.018
246 HB2 TYR 32 2HB TYR 32 5.337 3.230 -4.757
247 HB3 TYR 32 1HB TYR 32 5.755 4.914 -4.971
248 HD1 TYR 32 1HD TYR 32 7.019 1.464 -5.368
249 HD2 TYR 32 2HD TYR 32 7.422 5.532 -6.465
250 HE1 TYR 32 1HE TYR 32 8.600 0.815 -7.130
251 HE2 TYR 32 2HE TYR 32 8.999 4.924 -8.235
252 HH TYR 32 HH TYR 32 10.513 3.117 -8.734
253 H LEU 33 H LEU 33 8.937 2.982 -3.018
254 HA LEU 33 HA LEU 33 10.332 5.507 -2.561
255 HB2 LEU 33 2HB LEU 33 11.267 2.697 -1.991
256 HB3 LEU 33 1HB LEU 33 12.019 4.182 -1.455
257 HG LEU 33 HG LEU 33 9.349 3.116 -0.538
258 HD11 LEU 33 1HD1 LEU 33 10.450 2.831 1.616
259 HD12 LEU 33 2HD1 LEU 33 11.981 3.322 0.894
260 HD13 LEU 33 3HD1 LEU 33 11.187 1.843 0.353
261 HD21 LEU 33 1HD2 LEU 33 9.402 4.955 1.108
262 HD22 LEU 33 2HD2 LEU 33 9.303 5.540 -0.550
263 HD23 LEU 33 3HD2 LEU 33 10.838 5.606 0.314
264 HN1 NH2 34 1H LEU 33 10.649 6.099 -4.664
265 HN2 NH2 34 2H LEU 33 11.648 5.238 -5.778
Start of MODEL 16
1 H1 ASP 1 1HT ASP 1 -11.309 3.820 -5.262
2 H2 ASP 1 2HT ASP 1 -12.800 4.281 -4.628
3 H3 ASP 1 3HT ASP 1 -11.849 3.070 -3.875
4 HA ASP 1 HA ASP 1 -10.972 5.849 -4.179
5 HB2 ASP 1 2HB ASP 1 -11.965 4.375 -1.719
6 HB3 ASP 1 1HB ASP 1 -11.189 5.946 -1.688
7 H CYS 2 H CYS 2 -8.986 6.169 -3.097
8 HA CYS 2 HA CYS 2 -7.476 3.709 -3.175
9 HB2 CYS 2 2HB CYS 2 -5.485 5.180 -3.297
10 HB3 CYS 2 1HB CYS 2 -6.553 5.312 -4.665
11 H LEU 3 H LEU 3 -5.392 4.178 -1.723
12 HA LEU 3 HA LEU 3 -6.508 4.450 0.956
13 HB2 LEU 3 2HB LEU 3 -4.457 2.574 -0.119
14 HB3 LEU 3 1HB LEU 3 -4.917 2.677 1.576
15 HG LEU 3 HG LEU 3 -6.705 1.806 -0.708
16 HD11 LEU 3 1HD1 LEU 3 -5.500 0.263 1.553
17 HD12 LEU 3 2HD1 LEU 3 -5.047 0.171 -0.153
18 HD13 LEU 3 3HD1 LEU 3 -6.647 -0.362 0.369
19 HD21 LEU 3 1HD2 LEU 3 -7.275 1.986 2.249
20 HD22 LEU 3 2HD2 LEU 3 -8.310 1.205 1.059
21 HD23 LEU 3 3HD2 LEU 3 -8.028 2.944 0.970
22 H GLY 4 H GLY 4 -5.034 5.187 2.511
23 HA2 GLY 4 2HA GLY 4 -3.085 6.892 1.310
24 HA3 GLY 4 1HA GLY 4 -3.699 7.058 2.963
25 H TRP 5 H TRP 5 -2.844 5.406 4.614
26 HA TRP 5 HA TRP 5 -0.470 4.194 3.664
27 HB2 TRP 5 2HB TRP 5 -0.278 6.450 4.881
28 HB3 TRP 5 1HB TRP 5 -0.627 5.500 6.311
29 HD1 TRP 5 HD TRP 5 1.109 3.078 6.194
30 HE1 TRP 5 1HE TRP 5 3.690 3.126 6.046
31 HE3 TRP 5 3HE TRP 5 1.694 7.772 4.323
32 HZ2 TRP 5 2HZ TRP 5 5.704 4.954 5.235
33 HZ3 TRP 5 3HZ TRP 5 3.966 8.606 3.886
34 HH2 TRP 5 HH TRP 5 5.925 7.221 4.333
35 H PHE 6 H PHE 6 -1.921 4.336 6.756
36 HA PHE 6 HA PHE 6 -1.332 1.491 7.125
37 HB2 PHE 6 2HB PHE 6 -2.654 3.423 9.053
38 HB3 PHE 6 1HB PHE 6 -2.015 1.829 9.449
39 HD1 PHE 6 1HD PHE 6 0.476 1.465 9.160
40 HD2 PHE 6 2HD PHE 6 -1.364 5.301 9.170
41 HE1 PHE 6 1HE PHE 6 2.625 2.492 9.719
42 HE2 PHE 6 2HE PHE 6 0.787 6.335 9.718
43 HZ PHE 6 HZ PHE 6 2.781 4.927 9.998
44 H LYS 7 H LYS 7 -3.298 2.099 5.231
45 HA LYS 7 HA LYS 7 -5.689 0.879 6.393
46 HB2 LYS 7 2HB LYS 7 -5.247 1.884 3.599
47 HB3 LYS 7 1HB LYS 7 -6.750 1.345 4.288
48 HG2 LYS 7 2HG LYS 7 -5.258 3.818 5.162
49 HG3 LYS 7 1HG LYS 7 -6.716 3.787 4.170
50 HD2 LYS 7 2HD LYS 7 -7.939 2.721 6.024
51 HD3 LYS 7 1HD LYS 7 -6.479 2.781 7.009
52 HE2 LYS 7 2HE LYS 7 -7.904 4.612 7.631
53 HE3 LYS 7 1HE LYS 7 -6.487 5.242 6.795
54 HZ1 LYS 7 1HZ LYS 7 -9.135 4.811 5.544
55 HZ2 LYS 7 2HZ LYS 7 -7.824 5.530 4.793
56 HZ3 LYS 7 3HZ LYS 7 -8.592 6.287 6.102
57 H SER 8 H SER 8 -6.335 -1.134 5.619
58 HA SER 8 HA SER 8 -4.210 -2.848 5.041
59 HB2 SER 8 2HB SER 8 -7.140 -3.369 5.024
60 HB3 SER 8 1HB SER 8 -5.820 -4.473 5.330
61 HG SER 8 HG SER 8 -6.821 -2.483 7.052
62 H CYS 9 H CYS 9 -3.839 -3.831 3.195
63 HA CYS 9 HA CYS 9 -5.578 -3.655 0.899
64 HB2 CYS 9 2HB CYS 9 -4.446 -1.546 0.898
65 HB3 CYS 9 1HB CYS 9 -2.887 -2.387 0.908
66 H ASP 10 H ASP 10 -4.274 -4.526 -0.929
67 HA ASP 10 HA ASP 10 -2.402 -6.593 -0.115
68 HB2 ASP 10 2HB ASP 10 -4.637 -7.573 -0.071
69 HB3 ASP 10 1HB ASP 10 -4.855 -7.114 -1.751
70 HA PRO 11 HA PRO 11 -0.303 -4.751 -3.558
71 HB2 PRO 11 2HB PRO 11 1.234 -7.024 -4.068
72 HB3 PRO 11 1HB PRO 11 1.692 -5.663 -3.034
73 HG2 PRO 11 2HG PRO 11 0.620 -8.334 -2.287
74 HG3 PRO 11 1HG PRO 11 1.707 -7.237 -1.415
75 HD2 PRO 11 2HD PRO 11 -0.838 -7.589 -0.726
76 HD3 PRO 11 1HD PRO 11 -0.005 -6.035 -0.512
77 H LYS 12 H LYS 12 -1.812 -7.867 -3.742
78 HA LYS 12 HA LYS 12 -1.572 -8.104 -6.612
79 HB2 LYS 12 2HB LYS 12 -3.090 -9.733 -4.577
80 HB3 LYS 12 1HB LYS 12 -2.923 -10.149 -6.275
81 HG2 LYS 12 2HG LYS 12 -0.559 -10.452 -6.036
82 HG3 LYS 12 1HG LYS 12 -0.602 -9.828 -4.390
83 HD2 LYS 12 2HD LYS 12 -0.440 -12.277 -4.447
84 HD3 LYS 12 1HD LYS 12 -1.917 -11.733 -3.668
85 HE2 LYS 12 2HE LYS 12 -3.182 -12.199 -5.695
86 HE3 LYS 12 1HE LYS 12 -1.705 -12.667 -6.536
87 HZ1 LYS 12 1HZ LYS 12 -2.885 -14.045 -4.179
88 HZ2 LYS 12 2HZ LYS 12 -1.463 -14.501 -4.966
89 HZ3 LYS 12 3HZ LYS 12 -2.926 -14.585 -5.767
90 H ASN 13 H ASN 13 -3.508 -6.468 -4.499
91 HA ASN 13 HA ASN 13 -5.613 -5.991 -6.483
92 HB2 ASN 13 2HB ASN 13 -6.203 -7.759 -4.744
93 HB3 ASN 13 1HB ASN 13 -6.029 -6.512 -3.532
94 HD21 ASN 13 1HD2 ASN 13 -8.312 -8.126 -4.176
95 HD22 ASN 13 2HD2 ASN 13 -9.595 -7.059 -4.595
96 H ASP 14 H ASP 14 -3.436 -4.527 -6.095
97 HA ASP 14 HA ASP 14 -3.331 -2.730 -3.946
98 HB2 ASP 14 2HB ASP 14 -1.459 -3.048 -5.528
99 HB3 ASP 14 1HB ASP 14 -2.385 -2.139 -6.736
100 H LYS 15 H LYS 15 -4.448 -1.199 -3.401
101 HA LYS 15 HA LYS 15 -6.217 0.187 -5.276
102 HB2 LYS 15 2HB LYS 15 -6.733 -0.869 -2.527
103 HB3 LYS 15 1HB LYS 15 -7.684 0.435 -3.206
104 HG2 LYS 15 2HG LYS 15 -7.395 -2.318 -4.429
105 HG3 LYS 15 1HG LYS 15 -8.763 -1.796 -3.442
106 HD2 LYS 15 2HD LYS 15 -9.199 0.012 -5.094
107 HD3 LYS 15 1HD LYS 15 -7.908 -0.640 -6.098
108 HE2 LYS 15 2HE LYS 15 -10.383 -2.147 -5.262
109 HE3 LYS 15 1HE LYS 15 -10.152 -1.361 -6.821
110 HZ1 LYS 15 1HZ LYS 15 -8.534 -3.646 -5.773
111 HZ2 LYS 15 2HZ LYS 15 -8.287 -2.864 -7.240
112 HZ3 LYS 15 3HZ LYS 15 -9.692 -3.711 -6.980
113 H CYS 16 H CYS 16 -3.544 0.827 -4.341
114 HA CYS 16 HA CYS 16 -3.957 3.002 -2.501
115 HB2 CYS 16 2HB CYS 16 -1.554 1.811 -3.825
116 HB3 CYS 16 1HB CYS 16 -1.465 3.314 -2.910
117 H CYS 17 H CYS 17 -2.934 5.101 -3.076
118 HA CYS 17 HA CYS 17 -3.776 5.821 -5.737
119 HB2 CYS 17 2HB CYS 17 -3.568 7.219 -3.189
120 HB3 CYS 17 1HB CYS 17 -2.827 8.119 -4.494
121 H LYS 18 H LYS 18 -2.214 7.876 -6.230
122 HA LYS 18 HA LYS 18 0.053 6.723 -7.394
123 HB2 LYS 18 2HB LYS 18 -1.159 8.609 -8.335
124 HB3 LYS 18 1HB LYS 18 -0.718 9.590 -6.945
125 HG2 LYS 18 2HG LYS 18 1.570 9.459 -7.516
126 HG3 LYS 18 1HG LYS 18 1.203 8.371 -8.863
127 HD2 LYS 18 2HD LYS 18 -0.156 10.146 -9.886
128 HD3 LYS 18 1HD LYS 18 0.288 11.232 -8.568
129 HE2 LYS 18 2HE LYS 18 1.658 11.626 -10.569
130 HE3 LYS 18 1HE LYS 18 2.633 11.085 -9.202
131 HZ1 LYS 18 1HZ LYS 18 1.698 9.352 -11.430
132 HZ2 LYS 18 2HZ LYS 18 2.689 8.876 -10.145
133 HZ3 LYS 18 3HZ LYS 18 3.251 9.986 -11.264
134 H ASN 19 H ASN 19 2.163 6.707 -6.772
135 HA ASN 19 HA ASN 19 4.060 6.981 -5.637
136 HB2 ASN 19 2HB ASN 19 3.377 9.383 -5.638
137 HB3 ASN 19 1HB ASN 19 2.660 9.143 -4.062
138 HD21 ASN 19 1HD2 ASN 19 3.939 9.106 -2.292
139 HD22 ASN 19 2HD2 ASN 19 5.629 9.440 -2.298
140 H TYR 20 H TYR 20 1.440 5.682 -4.557
141 HA TYR 20 HA TYR 20 2.780 4.545 -2.230
142 HB2 TYR 20 2HB TYR 20 -0.126 5.244 -2.522
143 HB3 TYR 20 1HB TYR 20 0.507 4.181 -1.297
144 HD1 TYR 20 1HD TYR 20 1.874 5.035 0.537
145 HD2 TYR 20 2HD TYR 20 0.225 7.679 -2.354
146 HE1 TYR 20 1HE TYR 20 2.353 6.921 2.008
147 HE2 TYR 20 2HE TYR 20 0.698 9.578 -0.899
148 HH TYR 20 HH TYR 20 1.009 9.899 1.681
149 H THR 21 H THR 21 1.985 2.408 -1.743
150 HA THR 21 HA THR 21 0.395 0.928 -3.494
151 HB THR 21 HB THR 21 2.278 1.077 -4.943
152 HG1 THR 21 1HG THR 21 1.014 -0.967 -4.549
153 HG21 THR 21 1HG2 THR 21 4.139 1.368 -3.404
154 HG22 THR 21 2HG2 THR 21 4.467 -0.039 -4.421
155 HG23 THR 21 3HG2 THR 21 3.900 -0.258 -2.766
156 H CYS 22 H CYS 22 0.001 -1.079 -2.678
157 HA CYS 22 HA CYS 22 0.717 -1.077 0.075
158 HB2 CYS 22 2HB CYS 22 -1.011 -2.865 0.229
159 HB3 CYS 22 1HB CYS 22 -1.551 -1.199 -0.037
160 H SER 23 H SER 23 1.659 -2.431 1.195
161 HA SER 23 HA SER 23 3.575 -4.157 -0.088
162 HB2 SER 23 2HB SER 23 4.317 -2.652 1.643
163 HB3 SER 23 1HB SER 23 3.066 -3.223 2.733
164 HG SER 23 HG SER 23 5.501 -4.043 2.609
165 H ARG 24 H ARG 24 3.944 -6.350 0.786
166 HA ARG 24 HA ARG 24 1.459 -7.689 1.639
167 HB2 ARG 24 2HB ARG 24 2.657 -8.523 -0.419
168 HB3 ARG 24 1HB ARG 24 4.007 -8.881 0.655
169 HG2 ARG 24 2HG ARG 24 2.806 -10.941 0.215
170 HG3 ARG 24 1HG ARG 24 2.575 -10.476 1.896
171 HD2 ARG 24 2HD ARG 24 0.353 -9.521 1.279
172 HD3 ARG 24 1HD ARG 24 0.593 -10.109 -0.368
173 HE ARG 24 HE ARG 24 0.806 -12.062 1.760
174 HH11 ARG 24 1HH1 ARG 24 -1.507 -10.641 -0.629
175 HH12 ARG 24 2HH1 ARG 24 -2.455 -12.025 -0.648
176 HH21 ARG 24 1HH2 ARG 24 -0.635 -13.908 1.671
177 HH22 ARG 24 2HH2 ARG 24 -2.010 -13.879 0.673
178 H ARG 25 H ARG 25 4.691 -6.769 2.487
179 HA ARG 25 HA ARG 25 5.104 -8.525 4.673
180 HB2 ARG 25 2HB ARG 25 6.887 -7.167 3.513
181 HB3 ARG 25 1HB ARG 25 6.184 -5.728 4.257
182 HG2 ARG 25 2HG ARG 25 6.502 -6.923 6.440
183 HG3 ARG 25 1HG ARG 25 7.526 -8.043 5.527
184 HD2 ARG 25 2HD ARG 25 9.042 -6.457 6.425
185 HD3 ARG 25 1HD ARG 25 8.796 -5.944 4.759
186 HE ARG 25 HE ARG 25 7.034 -4.386 5.819
187 HH11 ARG 25 1HH1 ARG 25 10.185 -5.185 7.294
188 HH12 ARG 25 2HH1 ARG 25 10.170 -3.824 8.319
189 HH21 ARG 25 1HH2 ARG 25 7.054 -2.579 7.282
190 HH22 ARG 25 2HH2 ARG 25 8.407 -2.317 8.308
191 H ASP 26 H ASP 26 4.101 -5.186 4.245
192 HA ASP 26 HA ASP 26 3.324 -4.926 7.002
193 HB2 ASP 26 2HB ASP 26 3.297 -2.953 4.713
194 HB3 ASP 26 1HB ASP 26 2.992 -2.606 6.394
195 H ARG 27 H ARG 27 1.890 -5.627 3.889
196 HA ARG 27 HA ARG 27 -0.034 -5.450 2.951
197 HB2 ARG 27 2HB ARG 27 -1.158 -6.312 5.603
198 HB3 ARG 27 1HB ARG 27 -1.828 -6.508 3.977
199 HG2 ARG 27 2HG ARG 27 0.328 -7.821 3.486
200 HG3 ARG 27 1HG ARG 27 0.451 -7.954 5.238
201 HD2 ARG 27 2HD ARG 27 -0.682 -9.899 4.566
202 HD3 ARG 27 1HD ARG 27 -1.942 -8.822 5.169
203 HE ARG 27 HE ARG 27 -1.529 -8.560 2.346
204 HH11 ARG 27 1HH1 ARG 27 -3.292 -10.435 4.789
205 HH12 ARG 27 2HH1 ARG 27 -4.418 -11.059 3.679
206 HH21 ARG 27 1HH2 ARG 27 -3.093 -9.494 0.806
207 HH22 ARG 27 2HH2 ARG 27 -4.310 -10.501 1.405
208 H TRP 28 H TRP 28 0.730 -2.947 4.490
209 HA TRP 28 HA TRP 28 -1.894 -1.760 4.134
210 HB2 TRP 28 2HB TRP 28 -1.135 0.148 5.544
211 HB3 TRP 28 1HB TRP 28 -1.109 -1.372 6.369
212 HD1 TRP 28 HD TRP 28 1.749 0.230 4.292
213 HE1 TRP 28 1HE TRP 28 3.782 0.454 5.925
214 HE3 TRP 28 3HE TRP 28 -0.476 -1.424 8.445
215 HZ2 TRP 28 2HZ TRP 28 4.291 -0.027 8.659
216 HZ3 TRP 28 3HZ TRP 28 0.743 -1.523 10.544
217 HH2 TRP 28 HH TRP 28 3.118 -0.830 10.668
218 H CYS 29 H CYS 29 -1.544 0.627 3.471
219 HA CYS 29 HA CYS 29 -0.301 0.481 0.860
220 HB2 CYS 29 2HB CYS 29 -2.561 1.549 1.398
221 HB3 CYS 29 1HB CYS 29 -1.649 2.835 2.181
222 H LYS 30 H LYS 30 1.813 0.732 0.813
223 HA LYS 30 HA LYS 30 3.039 2.327 2.879
224 HB2 LYS 30 2HB LYS 30 3.485 -0.152 2.504
225 HB3 LYS 30 1HB LYS 30 4.266 0.322 1.007
226 HG2 LYS 30 2HG LYS 30 5.908 1.550 2.176
227 HG3 LYS 30 1HG LYS 30 5.051 1.307 3.712
228 HD2 LYS 30 2HD LYS 30 5.344 -1.152 3.412
229 HD3 LYS 30 1HD LYS 30 6.334 -0.818 1.996
230 HE2 LYS 30 2HE LYS 30 7.956 0.336 3.368
231 HE3 LYS 30 1HE LYS 30 6.937 0.124 4.794
232 HZ1 LYS 30 1HZ LYS 30 7.154 -2.279 4.516
233 HZ2 LYS 30 2HZ LYS 30 8.672 -1.550 4.745
234 HZ3 LYS 30 3HZ LYS 30 8.198 -2.050 3.212
235 H TYR 31 H TYR 31 4.739 3.687 2.199
236 HA TYR 31 HA TYR 31 4.186 5.318 -0.027
237 HB2 TYR 31 2HB TYR 31 5.449 5.796 2.203
238 HB3 TYR 31 1HB TYR 31 6.822 5.106 1.345
239 HD1 TYR 31 1HD TYR 31 4.487 7.919 1.474
240 HD2 TYR 31 2HD TYR 31 8.014 6.365 -0.324
241 HE1 TYR 31 1HE TYR 31 4.990 10.119 0.593
242 HE2 TYR 31 2HE TYR 31 8.534 8.579 -1.220
243 HH TYR 31 HH TYR 31 6.992 11.375 -0.163
244 H TYR 32 H TYR 32 4.915 5.162 -2.085
245 HA TYR 32 HA TYR 32 6.319 2.815 -2.900
246 HB2 TYR 32 2HB TYR 32 4.526 3.706 -4.264
247 HB3 TYR 32 1HB TYR 32 5.345 5.250 -4.395
248 HD1 TYR 32 1HD TYR 32 6.894 5.637 -6.087
249 HD2 TYR 32 2HD TYR 32 5.502 1.712 -5.374
250 HE1 TYR 32 1HE TYR 32 7.926 4.913 -8.194
251 HE2 TYR 32 2HE TYR 32 6.523 0.946 -7.473
252 HH TYR 32 HH TYR 32 8.741 2.881 -9.223
253 H LEU 33 H LEU 33 8.375 2.647 -3.588
254 HA LEU 33 HA LEU 33 10.252 4.595 -2.646
255 HB2 LEU 33 2HB LEU 33 10.611 2.178 -2.429
256 HB3 LEU 33 1HB LEU 33 10.618 2.022 -4.170
257 HG LEU 33 HG LEU 33 12.669 3.449 -4.211
258 HD11 LEU 33 1HD1 LEU 33 13.947 3.708 -2.160
259 HD12 LEU 33 2HD1 LEU 33 12.627 2.993 -1.239
260 HD13 LEU 33 3HD1 LEU 33 12.394 4.538 -2.051
261 HD21 LEU 33 1HD2 LEU 33 14.154 1.630 -3.472
262 HD22 LEU 33 2HD2 LEU 33 12.794 1.047 -4.431
263 HD23 LEU 33 3HD2 LEU 33 12.779 0.863 -2.677
264 HN1 NH2 34 1H LEU 33 9.893 6.383 -3.959
265 HN2 NH2 34 2H LEU 33 10.362 6.449 -5.624
Start of MODEL 17
1 H1 ASP 1 1HT ASP 1 -12.661 5.340 -3.340
2 H2 ASP 1 2HT ASP 1 -12.195 5.219 -4.935
3 H3 ASP 1 3HT ASP 1 -13.132 6.545 -4.446
4 HA ASP 1 HA ASP 1 -10.795 7.105 -4.784
5 HB2 ASP 1 2HB ASP 1 -11.592 7.090 -1.852
6 HB3 ASP 1 1HB ASP 1 -10.293 8.053 -2.541
7 H CYS 2 H CYS 2 -8.593 6.916 -3.692
8 HA CYS 2 HA CYS 2 -7.984 4.117 -3.607
9 HB2 CYS 2 2HB CYS 2 -5.617 4.981 -3.424
10 HB3 CYS 2 1HB CYS 2 -6.482 5.424 -4.878
11 H LEU 3 H LEU 3 -5.875 3.888 -1.990
12 HA LEU 3 HA LEU 3 -7.038 4.050 0.688
13 HB2 LEU 3 2HB LEU 3 -5.124 2.132 -0.567
14 HB3 LEU 3 1HB LEU 3 -5.537 2.114 1.134
15 HG LEU 3 HG LEU 3 -7.436 1.550 -1.157
16 HD11 LEU 3 1HD1 LEU 3 -7.443 -0.723 -0.295
17 HD12 LEU 3 2HD1 LEU 3 -6.286 -0.264 0.953
18 HD13 LEU 3 3HD1 LEU 3 -5.808 -0.234 -0.745
19 HD21 LEU 3 1HD2 LEU 3 -8.587 2.627 0.706
20 HD22 LEU 3 2HD2 LEU 3 -7.884 1.461 1.825
21 HD23 LEU 3 3HD2 LEU 3 -9.028 0.924 0.595
22 H GLY 4 H GLY 4 -5.673 4.823 2.340
23 HA2 GLY 4 2HA GLY 4 -3.353 6.043 1.321
24 HA3 GLY 4 1HA GLY 4 -4.117 6.389 2.889
25 H TRP 5 H TRP 5 -1.971 6.108 3.682
26 HA TRP 5 HA TRP 5 -0.299 3.994 3.131
27 HB2 TRP 5 2HB TRP 5 0.384 6.214 4.129
28 HB3 TRP 5 1HB TRP 5 -0.172 5.581 5.671
29 HD1 TRP 5 HD TRP 5 1.140 2.734 5.658
30 HE1 TRP 5 1HE TRP 5 3.710 2.447 5.813
31 HE3 TRP 5 3HE TRP 5 2.561 7.345 4.016
32 HZ2 TRP 5 2HZ TRP 5 6.010 3.988 5.306
33 HZ3 TRP 5 3HZ TRP 5 4.957 7.862 3.883
34 HH2 TRP 5 HH TRP 5 6.642 6.216 4.514
35 H PHE 6 H PHE 6 -1.954 4.434 6.076
36 HA PHE 6 HA PHE 6 -1.234 1.684 6.784
37 HB2 PHE 6 2HB PHE 6 -2.433 3.918 8.368
38 HB3 PHE 6 1HB PHE 6 -2.135 2.308 9.064
39 HD1 PHE 6 1HD PHE 6 0.334 1.506 8.831
40 HD2 PHE 6 2HD PHE 6 -0.919 5.560 8.537
41 HE1 PHE 6 1HE PHE 6 2.595 2.245 9.390
42 HE2 PHE 6 2HE PHE 6 1.343 6.302 9.093
43 HZ PHE 6 HZ PHE 6 3.101 4.638 9.524
44 H LYS 7 H LYS 7 -3.277 2.246 4.799
45 HA LYS 7 HA LYS 7 -5.521 0.901 6.098
46 HB2 LYS 7 2HB LYS 7 -5.268 1.883 3.276
47 HB3 LYS 7 1HB LYS 7 -6.676 1.157 3.974
48 HG2 LYS 7 2HG LYS 7 -5.536 3.791 4.905
49 HG3 LYS 7 1HG LYS 7 -6.911 3.614 3.815
50 HD2 LYS 7 2HD LYS 7 -8.100 2.343 5.589
51 HD3 LYS 7 1HD LYS 7 -6.741 2.642 6.673
52 HE2 LYS 7 2HE LYS 7 -8.472 4.758 5.391
53 HE3 LYS 7 1HE LYS 7 -8.592 4.211 7.060
54 HZ1 LYS 7 1HZ LYS 7 -6.307 5.018 7.407
55 HZ2 LYS 7 2HZ LYS 7 -7.336 6.251 6.944
56 HZ3 LYS 7 3HZ LYS 7 -6.268 5.605 5.829
57 H SER 8 H SER 8 -6.089 -1.172 5.424
58 HA SER 8 HA SER 8 -3.925 -2.736 4.591
59 HB2 SER 8 2HB SER 8 -6.786 -3.453 4.962
60 HB3 SER 8 1HB SER 8 -5.368 -4.474 5.072
61 HG SER 8 HG SER 8 -4.888 -2.552 6.720
62 H CYS 9 H CYS 9 -3.718 -3.667 2.723
63 HA CYS 9 HA CYS 9 -5.660 -3.255 0.596
64 HB2 CYS 9 2HB CYS 9 -4.255 -1.414 0.406
65 HB3 CYS 9 1HB CYS 9 -2.806 -2.423 0.569
66 H ASP 10 H ASP 10 -4.713 -4.375 -1.356
67 HA ASP 10 HA ASP 10 -3.660 -6.986 -0.499
68 HB2 ASP 10 2HB ASP 10 -6.079 -7.148 -1.027
69 HB3 ASP 10 1HB ASP 10 -5.746 -6.510 -2.632
70 HA PRO 11 HA PRO 11 -0.535 -5.686 -3.352
71 HB2 PRO 11 2HB PRO 11 0.489 -8.220 -3.727
72 HB3 PRO 11 1HB PRO 11 1.048 -7.073 -2.486
73 HG2 PRO 11 2HG PRO 11 -0.760 -9.438 -2.275
74 HG3 PRO 11 1HG PRO 11 0.303 -8.727 -1.054
75 HD2 PRO 11 2HD PRO 11 -2.365 -8.461 -1.020
76 HD3 PRO 11 1HD PRO 11 -1.267 -7.221 -0.378
77 H LYS 12 H LYS 12 -2.733 -8.217 -4.086
78 HA LYS 12 HA LYS 12 -1.950 -8.173 -6.900
79 HB2 LYS 12 2HB LYS 12 -3.843 -9.990 -5.414
80 HB3 LYS 12 1HB LYS 12 -3.455 -10.133 -7.125
81 HG2 LYS 12 2HG LYS 12 -1.113 -10.545 -6.578
82 HG3 LYS 12 1HG LYS 12 -1.472 -10.374 -4.864
83 HD2 LYS 12 2HD LYS 12 -2.671 -12.462 -6.675
84 HD3 LYS 12 1HD LYS 12 -1.276 -12.731 -5.632
85 HE2 LYS 12 2HE LYS 12 -2.665 -12.223 -3.670
86 HE3 LYS 12 1HE LYS 12 -4.053 -11.959 -4.724
87 HZ1 LYS 12 1HZ LYS 12 -3.952 -14.246 -5.414
88 HZ2 LYS 12 2HZ LYS 12 -4.019 -14.193 -3.733
89 HZ3 LYS 12 3HZ LYS 12 -2.564 -14.509 -4.505
90 H ASN 13 H ASN 13 -4.018 -6.650 -4.865
91 HA ASN 13 HA ASN 13 -5.753 -5.776 -7.076
92 HB2 ASN 13 2HB ASN 13 -6.826 -7.537 -5.499
93 HB3 ASN 13 1HB ASN 13 -6.803 -6.277 -4.284
94 HD21 ASN 13 1HD2 ASN 13 -9.122 -7.561 -5.343
95 HD22 ASN 13 2HD2 ASN 13 -10.107 -6.349 -6.071
96 H ASP 14 H ASP 14 -3.573 -4.540 -6.365
97 HA ASP 14 HA ASP 14 -3.494 -2.852 -4.151
98 HB2 ASP 14 2HB ASP 14 -1.577 -3.277 -5.634
99 HB3 ASP 14 1HB ASP 14 -2.336 -2.261 -6.863
100 H LYS 15 H LYS 15 -4.388 -1.087 -3.613
101 HA LYS 15 HA LYS 15 -6.046 0.417 -5.504
102 HB2 LYS 15 2HB LYS 15 -6.629 -0.456 -2.693
103 HB3 LYS 15 1HB LYS 15 -7.581 0.721 -3.580
104 HG2 LYS 15 2HG LYS 15 -8.117 -0.950 -5.245
105 HG3 LYS 15 1HG LYS 15 -7.095 -2.128 -4.426
106 HD2 LYS 15 2HD LYS 15 -8.602 -1.942 -2.456
107 HD3 LYS 15 1HD LYS 15 -9.649 -0.885 -3.412
108 HE2 LYS 15 2HE LYS 15 -8.902 -3.734 -4.072
109 HE3 LYS 15 1HE LYS 15 -10.464 -3.187 -3.476
110 HZ1 LYS 15 1HZ LYS 15 -10.772 -1.930 -5.521
111 HZ2 LYS 15 2HZ LYS 15 -10.428 -3.535 -5.902
112 HZ3 LYS 15 3HZ LYS 15 -9.241 -2.377 -6.062
113 H CYS 16 H CYS 16 -3.318 0.828 -4.497
114 HA CYS 16 HA CYS 16 -3.424 2.828 -2.490
115 HB2 CYS 16 2HB CYS 16 -1.305 1.660 -4.187
116 HB3 CYS 16 1HB CYS 16 -1.009 3.149 -3.288
117 H CYS 17 H CYS 17 -2.851 5.014 -2.618
118 HA CYS 17 HA CYS 17 -3.722 6.391 -4.857
119 HB2 CYS 17 2HB CYS 17 -2.199 7.212 -2.386
120 HB3 CYS 17 1HB CYS 17 -2.962 8.306 -3.524
121 H LYS 18 H LYS 18 -2.135 8.223 -5.463
122 HA LYS 18 HA LYS 18 -0.024 7.188 -7.020
123 HB2 LYS 18 2HB LYS 18 -1.337 9.248 -7.500
124 HB3 LYS 18 1HB LYS 18 -0.511 10.031 -6.161
125 HG2 LYS 18 2HG LYS 18 1.605 9.642 -7.251
126 HG3 LYS 18 1HG LYS 18 0.745 8.899 -8.609
127 HD2 LYS 18 2HD LYS 18 -0.426 10.984 -9.024
128 HD3 LYS 18 1HD LYS 18 0.402 11.741 -7.657
129 HE2 LYS 18 2HE LYS 18 2.566 11.318 -8.801
130 HE3 LYS 18 1HE LYS 18 1.674 10.698 -10.187
131 HZ1 LYS 18 1HZ LYS 18 0.661 12.877 -10.465
132 HZ2 LYS 18 2HZ LYS 18 2.347 12.995 -10.476
133 HZ3 LYS 18 3HZ LYS 18 1.484 13.448 -9.103
134 H ASN 19 H ASN 19 2.027 6.875 -6.646
135 HA ASN 19 HA ASN 19 4.075 6.861 -5.752
136 HB2 ASN 19 2HB ASN 19 2.971 9.188 -4.339
137 HB3 ASN 19 1HB ASN 19 4.432 8.475 -3.633
138 HD21 ASN 19 1HD2 ASN 19 6.333 8.568 -4.817
139 HD22 ASN 19 2HD2 ASN 19 6.547 9.602 -6.171
140 H TYR 20 H TYR 20 1.612 5.482 -4.617
141 HA TYR 20 HA TYR 20 3.037 4.313 -2.365
142 HB2 TYR 20 2HB TYR 20 0.100 4.852 -2.672
143 HB3 TYR 20 1HB TYR 20 0.762 3.761 -1.492
144 HD1 TYR 20 1HD TYR 20 0.662 7.345 -2.487
145 HD2 TYR 20 2HD TYR 20 1.587 4.547 0.582
146 HE1 TYR 20 1HE TYR 20 0.865 9.179 -0.890
147 HE2 TYR 20 2HE TYR 20 1.804 6.366 2.189
148 HH TYR 20 HH TYR 20 0.758 9.558 1.475
149 H THR 21 H THR 21 2.335 2.087 -2.012
150 HA THR 21 HA THR 21 1.022 0.574 -4.058
151 HB THR 21 HB THR 21 3.882 -0.014 -3.474
152 HG1 THR 21 1HG THR 21 2.887 1.832 -5.212
153 HG21 THR 21 1HG2 THR 21 2.648 -1.921 -4.214
154 HG22 THR 21 2HG2 THR 21 3.753 -1.459 -5.511
155 HG23 THR 21 3HG2 THR 21 2.042 -1.048 -5.623
156 H CYS 22 H CYS 22 0.282 -1.281 -2.971
157 HA CYS 22 HA CYS 22 0.941 -1.174 -0.227
158 HB2 CYS 22 2HB CYS 22 -0.851 -2.816 0.059
159 HB3 CYS 22 1HB CYS 22 -1.358 -1.211 -0.474
160 H SER 23 H SER 23 1.647 -2.566 1.065
161 HA SER 23 HA SER 23 3.563 -4.410 -0.041
162 HB2 SER 23 2HB SER 23 4.227 -2.748 1.611
163 HB3 SER 23 1HB SER 23 2.969 -3.299 2.705
164 HG SER 23 HG SER 23 5.084 -4.022 3.224
165 H ARG 24 H ARG 24 3.558 -6.621 0.653
166 HA ARG 24 HA ARG 24 0.985 -7.653 1.606
167 HB2 ARG 24 2HB ARG 24 2.457 -8.653 -0.325
168 HB3 ARG 24 1HB ARG 24 3.430 -9.292 0.990
169 HG2 ARG 24 2HG ARG 24 0.522 -9.977 0.394
170 HG3 ARG 24 1HG ARG 24 1.917 -11.020 0.163
171 HD2 ARG 24 2HD ARG 24 0.814 -10.013 2.787
172 HD3 ARG 24 1HD ARG 24 0.627 -11.642 2.144
173 HE ARG 24 HE ARG 24 3.361 -11.014 2.327
174 HH11 ARG 24 1HH1 ARG 24 0.618 -11.865 4.393
175 HH12 ARG 24 2HH1 ARG 24 1.557 -12.328 5.718
176 HH21 ARG 24 1HH2 ARG 24 4.674 -11.650 4.118
177 HH22 ARG 24 2HH2 ARG 24 3.976 -12.211 5.543
178 H ARG 25 H ARG 25 4.436 -7.495 2.300
179 HA ARG 25 HA ARG 25 4.675 -8.885 4.647
180 HB2 ARG 25 2HB ARG 25 6.470 -7.817 3.238
181 HB3 ARG 25 1HB ARG 25 6.023 -6.288 3.936
182 HG2 ARG 25 2HG ARG 25 6.554 -8.271 5.968
183 HG3 ARG 25 1HG ARG 25 7.920 -8.002 4.880
184 HD2 ARG 25 2HD ARG 25 6.437 -5.784 6.310
185 HD3 ARG 25 1HD ARG 25 7.922 -6.519 6.919
186 HE ARG 25 HE ARG 25 8.296 -5.679 4.267
187 HH11 ARG 25 1HH1 ARG 25 7.924 -4.227 7.495
188 HH12 ARG 25 2HH1 ARG 25 8.895 -2.886 7.166
189 HH21 ARG 25 1HH2 ARG 25 9.624 -3.806 3.802
190 HH22 ARG 25 2HH2 ARG 25 9.902 -2.637 4.998
191 H ASP 26 H ASP 26 3.898 -5.509 4.139
192 HA ASP 26 HA ASP 26 3.244 -5.125 6.933
193 HB2 ASP 26 2HB ASP 26 3.117 -3.178 4.640
194 HB3 ASP 26 1HB ASP 26 2.979 -2.834 6.340
195 H ARG 27 H ARG 27 1.643 -5.774 3.886
196 HA ARG 27 HA ARG 27 -0.266 -5.599 3.040
197 HB2 ARG 27 2HB ARG 27 -0.859 -6.532 5.758
198 HB3 ARG 27 1HB ARG 27 -2.176 -6.036 4.674
199 HG2 ARG 27 2HG ARG 27 -1.454 -7.642 3.043
200 HG3 ARG 27 1HG ARG 27 -0.075 -8.079 4.059
201 HD2 ARG 27 2HD ARG 27 -1.555 -8.836 5.786
202 HD3 ARG 27 1HD ARG 27 -2.961 -8.358 4.834
203 HE ARG 27 HE ARG 27 -1.789 -10.031 3.169
204 HH11 ARG 27 1HH1 ARG 27 -2.362 -10.320 6.645
205 HH12 ARG 27 2HH1 ARG 27 -2.566 -12.006 6.623
206 HH21 ARG 27 1HH2 ARG 27 -2.095 -12.373 3.138
207 HH22 ARG 27 2HH2 ARG 27 -2.428 -13.191 4.596
208 H TRP 28 H TRP 28 0.703 -3.053 4.379
209 HA TRP 28 HA TRP 28 -1.822 -1.697 3.917
210 HB2 TRP 28 2HB TRP 28 -0.959 0.208 5.254
211 HB3 TRP 28 1HB TRP 28 -1.115 -1.270 6.143
212 HD1 TRP 28 HD TRP 28 1.977 -0.038 4.155
213 HE1 TRP 28 1HE TRP 28 3.932 0.083 5.882
214 HE3 TRP 28 3HE TRP 28 -0.614 -1.258 8.226
215 HZ2 TRP 28 2HZ TRP 28 4.248 -0.316 8.687
216 HZ3 TRP 28 3HZ TRP 28 0.471 -1.379 10.410
217 HH2 TRP 28 HH TRP 28 2.894 -0.909 10.648
218 H CYS 29 H CYS 29 -1.343 0.593 3.162
219 HA CYS 29 HA CYS 29 -0.091 0.286 0.575
220 HB2 CYS 29 2HB CYS 29 -2.318 1.350 0.990
221 HB3 CYS 29 1HB CYS 29 -1.479 2.634 1.846
222 H LYS 30 H LYS 30 2.052 0.356 0.661
223 HA LYS 30 HA LYS 30 3.376 1.955 2.655
224 HB2 LYS 30 2HB LYS 30 3.822 -0.506 1.959
225 HB3 LYS 30 1HB LYS 30 4.597 0.192 0.551
226 HG2 LYS 30 2HG LYS 30 6.127 1.401 2.029
227 HG3 LYS 30 1HG LYS 30 5.350 0.618 3.415
228 HD2 LYS 30 2HD LYS 30 5.917 -1.600 2.348
229 HD3 LYS 30 1HD LYS 30 6.905 -0.712 1.190
230 HE2 LYS 30 2HE LYS 30 8.328 -1.545 2.933
231 HE3 LYS 30 1HE LYS 30 8.203 0.204 3.116
232 HZ1 LYS 30 1HZ LYS 30 6.547 -0.144 4.856
233 HZ2 LYS 30 2HZ LYS 30 7.979 -0.904 5.250
234 HZ3 LYS 30 3HZ LYS 30 6.673 -1.818 4.678
235 H TYR 31 H TYR 31 4.697 3.677 2.047
236 HA TYR 31 HA TYR 31 4.114 4.991 -0.390
237 HB2 TYR 31 2HB TYR 31 4.889 6.086 1.775
238 HB3 TYR 31 1HB TYR 31 6.489 5.447 1.375
239 HD1 TYR 31 1HD TYR 31 3.805 7.587 -0.090
240 HD2 TYR 31 2HD TYR 31 7.964 6.766 0.195
241 HE1 TYR 31 1HE TYR 31 4.285 9.593 -1.419
242 HE2 TYR 31 2HE TYR 31 8.457 8.756 -1.134
243 HH TYR 31 HH TYR 31 7.352 10.185 -2.761
244 H TYR 32 H TYR 32 5.167 4.934 -2.285
245 HA TYR 32 HA TYR 32 7.154 2.860 -2.590
246 HB2 TYR 32 2HB TYR 32 5.322 2.805 -4.159
247 HB3 TYR 32 1HB TYR 32 5.575 4.498 -4.556
248 HD1 TYR 32 1HD TYR 32 6.888 5.083 -6.333
249 HD2 TYR 32 2HD TYR 32 7.234 1.189 -4.726
250 HE1 TYR 32 1HE TYR 32 8.375 4.478 -8.198
251 HE2 TYR 32 2HE TYR 32 8.735 0.537 -6.586
252 HH TYR 32 HH TYR 32 10.137 2.849 -8.615
253 H LEU 33 H LEU 33 9.183 3.254 -2.770
254 HA LEU 33 HA LEU 33 10.103 6.021 -3.057
255 HB2 LEU 33 2HB LEU 33 11.545 3.577 -2.014
256 HB3 LEU 33 1HB LEU 33 12.260 5.165 -2.169
257 HG LEU 33 HG LEU 33 9.967 4.462 -0.328
258 HD11 LEU 33 1HD1 LEU 33 12.074 3.445 0.358
259 HD12 LEU 33 2HD1 LEU 33 11.603 4.742 1.457
260 HD13 LEU 33 3HD1 LEU 33 12.871 5.016 0.262
261 HD21 LEU 33 1HD2 LEU 33 10.361 6.689 0.621
262 HD22 LEU 33 2HD2 LEU 33 9.880 6.788 -1.071
263 HD23 LEU 33 3HD2 LEU 33 11.572 7.005 -0.621
264 HN1 NH2 34 1H LEU 33 9.931 6.111 -5.273
265 HN2 NH2 34 2H LEU 33 10.963 5.216 -6.332
Start of MODEL 18
1 H1 ASP 1 1HT ASP 1 -11.821 6.680 -6.178
2 H2 ASP 1 2HT ASP 1 -11.343 5.069 -5.896
3 H3 ASP 1 3HT ASP 1 -10.246 6.163 -6.553
4 HA ASP 1 HA ASP 1 -10.214 7.419 -4.557
5 HB2 ASP 1 2HB ASP 1 -11.321 6.614 -2.554
6 HB3 ASP 1 1HB ASP 1 -12.533 6.832 -3.806
7 H CYS 2 H CYS 2 -8.948 6.633 -2.666
8 HA CYS 2 HA CYS 2 -7.596 4.100 -3.233
9 HB2 CYS 2 2HB CYS 2 -5.432 5.211 -3.086
10 HB3 CYS 2 1HB CYS 2 -6.358 5.833 -4.427
11 H LEU 3 H LEU 3 -5.568 4.448 -1.505
12 HA LEU 3 HA LEU 3 -6.856 4.559 1.119
13 HB2 LEU 3 2HB LEU 3 -4.527 2.960 0.108
14 HB3 LEU 3 1HB LEU 3 -5.140 2.909 1.755
15 HG LEU 3 HG LEU 3 -6.559 1.932 -0.731
16 HD11 LEU 3 1HD1 LEU 3 -4.752 0.485 -0.042
17 HD12 LEU 3 2HD1 LEU 3 -6.312 -0.273 0.275
18 HD13 LEU 3 3HD1 LEU 3 -5.390 0.434 1.600
19 HD21 LEU 3 1HD2 LEU 3 -8.161 2.846 0.871
20 HD22 LEU 3 2HD2 LEU 3 -7.462 1.856 2.152
21 HD23 LEU 3 3HD2 LEU 3 -8.284 1.090 0.792
22 H GLY 4 H GLY 4 -5.290 5.263 2.787
23 HA2 GLY 4 2HA GLY 4 -3.610 7.280 1.635
24 HA3 GLY 4 1HA GLY 4 -4.072 7.211 3.343
25 H TRP 5 H TRP 5 -3.005 5.337 4.621
26 HA TRP 5 HA TRP 5 -0.665 4.298 3.412
27 HB2 TRP 5 2HB TRP 5 -0.382 6.494 4.635
28 HB3 TRP 5 1HB TRP 5 -0.670 5.555 6.073
29 HD1 TRP 5 HD TRP 5 0.947 3.122 5.950
30 HE1 TRP 5 1HE TRP 5 3.545 3.056 5.769
31 HE3 TRP 5 3HE TRP 5 1.684 7.687 3.905
32 HZ2 TRP 5 2HZ TRP 5 5.596 4.755 4.845
33 HZ3 TRP 5 3HZ TRP 5 3.978 8.412 3.387
34 HH2 TRP 5 HH TRP 5 5.882 6.973 3.848
35 H PHE 6 H PHE 6 -1.868 4.340 6.611
36 HA PHE 6 HA PHE 6 -1.138 1.549 6.840
37 HB2 PHE 6 2HB PHE 6 -2.390 3.388 8.901
38 HB3 PHE 6 1HB PHE 6 -1.698 1.797 9.213
39 HD1 PHE 6 1HD PHE 6 0.738 1.462 8.922
40 HD2 PHE 6 2HD PHE 6 -1.091 5.294 8.777
41 HE1 PHE 6 1HE PHE 6 2.912 2.513 9.333
42 HE2 PHE 6 2HE PHE 6 1.085 6.352 9.183
43 HZ PHE 6 HZ PHE 6 3.083 4.956 9.464
44 H LYS 7 H LYS 7 -3.263 1.967 5.053
45 HA LYS 7 HA LYS 7 -5.468 0.577 6.405
46 HB2 LYS 7 2HB LYS 7 -5.325 1.435 3.541
47 HB3 LYS 7 1HB LYS 7 -6.727 0.905 4.412
48 HG2 LYS 7 2HG LYS 7 -5.276 3.507 4.858
49 HG3 LYS 7 1HG LYS 7 -6.850 3.313 4.094
50 HD2 LYS 7 2HD LYS 7 -6.184 2.661 6.974
51 HD3 LYS 7 1HD LYS 7 -7.053 4.088 6.421
52 HE2 LYS 7 2HE LYS 7 -8.859 2.676 5.587
53 HE3 LYS 7 1HE LYS 7 -7.968 1.234 6.073
54 HZ1 LYS 7 1HZ LYS 7 -9.615 1.788 7.722
55 HZ2 LYS 7 2HZ LYS 7 -8.973 3.339 7.907
56 HZ3 LYS 7 3HZ LYS 7 -8.074 2.006 8.356
57 H SER 8 H SER 8 -5.915 -1.556 5.810
58 HA SER 8 HA SER 8 -3.744 -3.036 4.904
59 HB2 SER 8 2HB SER 8 -6.580 -3.865 5.303
60 HB3 SER 8 1HB SER 8 -5.115 -4.815 5.440
61 HG SER 8 HG SER 8 -4.813 -4.178 7.400
62 H CYS 9 H CYS 9 -3.564 -4.016 3.027
63 HA CYS 9 HA CYS 9 -5.628 -3.900 0.992
64 HB2 CYS 9 2HB CYS 9 -4.616 -1.826 0.714
65 HB3 CYS 9 1HB CYS 9 -2.997 -2.545 0.792
66 H ASP 10 H ASP 10 -4.692 -4.850 -0.986
67 HA ASP 10 HA ASP 10 -2.940 -7.101 -0.312
68 HB2 ASP 10 2HB ASP 10 -5.265 -7.911 -0.548
69 HB3 ASP 10 1HB ASP 10 -5.338 -7.221 -2.160
70 HA PRO 11 HA PRO 11 -0.469 -4.945 -3.333
71 HB2 PRO 11 2HB PRO 11 1.005 -7.264 -3.909
72 HB3 PRO 11 1HB PRO 11 1.447 -5.977 -2.771
73 HG2 PRO 11 2HG PRO 11 0.124 -8.598 -2.281
74 HG3 PRO 11 1HG PRO 11 1.241 -7.701 -1.229
75 HD2 PRO 11 2HD PRO 11 -1.291 -7.877 -0.721
76 HD3 PRO 11 1HD PRO 11 -0.439 -6.338 -0.452
77 H LYS 12 H LYS 12 -2.117 -7.918 -4.083
78 HA LYS 12 HA LYS 12 -1.563 -7.677 -6.927
79 HB2 LYS 12 2HB LYS 12 -3.374 -9.572 -5.449
80 HB3 LYS 12 1HB LYS 12 -2.970 -9.678 -7.152
81 HG2 LYS 12 2HG LYS 12 -0.643 -10.118 -6.586
82 HG3 LYS 12 1HG LYS 12 -1.023 -9.956 -4.869
83 HD2 LYS 12 2HD LYS 12 -2.577 -11.832 -5.036
84 HD3 LYS 12 1HD LYS 12 -2.213 -11.972 -6.754
85 HE2 LYS 12 2HE LYS 12 0.090 -12.518 -6.247
86 HE3 LYS 12 1HE LYS 12 -0.219 -12.308 -4.524
87 HZ1 LYS 12 1HZ LYS 12 -0.259 -14.636 -5.212
88 HZ2 LYS 12 2HZ LYS 12 -1.565 -14.340 -6.231
89 HZ3 LYS 12 3HZ LYS 12 -1.733 -14.162 -4.576
90 H ASN 13 H ASN 13 -3.725 -6.539 -4.702
91 HA ASN 13 HA ASN 13 -5.722 -5.751 -6.717
92 HB2 ASN 13 2HB ASN 13 -6.489 -7.622 -5.198
93 HB3 ASN 13 1HB ASN 13 -6.198 -6.567 -3.836
94 HD21 ASN 13 1HD2 ASN 13 -7.678 -5.654 -6.906
95 HD22 ASN 13 2HD2 ASN 13 -9.189 -5.186 -6.243
96 H ASP 14 H ASP 14 -3.578 -4.321 -6.184
97 HA ASP 14 HA ASP 14 -3.501 -2.669 -3.927
98 HB2 ASP 14 2HB ASP 14 -1.624 -2.883 -5.435
99 HB3 ASP 14 1HB ASP 14 -2.526 -2.018 -6.693
100 H LYS 15 H LYS 15 -4.589 -1.090 -3.296
101 HA LYS 15 HA LYS 15 -6.413 0.348 -5.111
102 HB2 LYS 15 2HB LYS 15 -6.689 -0.291 -2.191
103 HB3 LYS 15 1HB LYS 15 -7.793 0.699 -3.129
104 HG2 LYS 15 2HG LYS 15 -8.246 -1.288 -4.574
105 HG3 LYS 15 1HG LYS 15 -7.224 -2.244 -3.507
106 HD2 LYS 15 2HD LYS 15 -9.793 -0.841 -2.766
107 HD3 LYS 15 1HD LYS 15 -9.580 -2.575 -2.975
108 HE2 LYS 15 2HE LYS 15 -7.967 -2.555 -1.072
109 HE3 LYS 15 1HE LYS 15 -8.308 -0.843 -0.855
110 HZ1 LYS 15 1HZ LYS 15 -10.634 -1.402 -0.398
111 HZ2 LYS 15 2HZ LYS 15 -9.605 -2.164 0.666
112 HZ3 LYS 15 3HZ LYS 15 -10.293 -3.043 -0.585
113 H CYS 16 H CYS 16 -3.635 0.988 -4.463
114 HA CYS 16 HA CYS 16 -3.789 3.150 -2.562
115 HB2 CYS 16 2HB CYS 16 -1.544 1.804 -3.990
116 HB3 CYS 16 1HB CYS 16 -1.315 3.302 -3.090
117 H CYS 17 H CYS 17 -2.959 5.252 -2.986
118 HA CYS 17 HA CYS 17 -3.732 6.243 -5.538
119 HB2 CYS 17 2HB CYS 17 -3.126 7.374 -2.901
120 HB3 CYS 17 1HB CYS 17 -2.533 8.335 -4.237
121 H LYS 18 H LYS 18 -2.054 8.161 -6.000
122 HA LYS 18 HA LYS 18 -0.086 6.893 -7.542
123 HB2 LYS 18 2HB LYS 18 -1.184 9.029 -8.032
124 HB3 LYS 18 1HB LYS 18 -0.196 9.763 -6.771
125 HG2 LYS 18 2HG LYS 18 1.797 8.929 -7.896
126 HG3 LYS 18 1HG LYS 18 0.761 8.358 -9.210
127 HD2 LYS 18 2HD LYS 18 0.995 11.165 -8.249
128 HD3 LYS 18 1HD LYS 18 1.807 10.501 -9.681
129 HE2 LYS 18 2HE LYS 18 -0.380 10.033 -10.686
130 HE3 LYS 18 1HE LYS 18 -1.177 10.687 -9.256
131 HZ1 LYS 18 1HZ LYS 18 -1.061 12.290 -11.058
132 HZ2 LYS 18 2HZ LYS 18 0.627 12.198 -11.033
133 HZ3 LYS 18 3HZ LYS 18 -0.205 12.811 -9.705
134 H ASN 19 H ASN 19 1.759 6.148 -7.045
135 HA ASN 19 HA ASN 19 3.862 5.968 -6.388
136 HB2 ASN 19 2HB ASN 19 3.722 8.557 -6.461
137 HB3 ASN 19 1HB ASN 19 3.731 8.456 -4.707
138 HD21 ASN 19 1HD2 ASN 19 5.568 7.703 -3.690
139 HD22 ASN 19 2HD2 ASN 19 7.105 7.582 -4.445
140 H TYR 20 H TYR 20 1.413 5.347 -4.799
141 HA TYR 20 HA TYR 20 2.859 4.330 -2.477
142 HB2 TYR 20 2HB TYR 20 -0.084 4.928 -2.783
143 HB3 TYR 20 1HB TYR 20 0.616 4.075 -1.437
144 HD1 TYR 20 1HD TYR 20 1.699 5.237 0.363
145 HD2 TYR 20 2HD TYR 20 0.401 7.389 -3.067
146 HE1 TYR 20 1HE TYR 20 2.082 7.338 1.545
147 HE2 TYR 20 2HE TYR 20 0.779 9.499 -1.899
148 HH TYR 20 HH TYR 20 2.567 9.742 0.912
149 H THR 21 H THR 21 2.131 2.177 -1.917
150 HA THR 21 HA THR 21 0.693 0.597 -3.838
151 HB THR 21 HB THR 21 3.534 -0.077 -3.294
152 HG1 THR 21 1HG THR 21 2.555 1.735 -5.052
153 HG21 THR 21 1HG2 THR 21 1.598 -1.105 -5.361
154 HG22 THR 21 2HG2 THR 21 2.133 -1.944 -3.905
155 HG23 THR 21 3HG2 THR 21 3.275 -1.632 -5.213
156 H CYS 22 H CYS 22 -0.112 -1.102 -2.708
157 HA CYS 22 HA CYS 22 0.616 -1.122 -0.002
158 HB2 CYS 22 2HB CYS 22 -1.109 -2.876 0.209
159 HB3 CYS 22 1HB CYS 22 -1.691 -1.270 -0.241
160 H SER 23 H SER 23 1.640 -2.377 1.105
161 HA SER 23 HA SER 23 3.611 -4.024 -0.164
162 HB2 SER 23 2HB SER 23 4.267 -2.410 1.543
163 HB3 SER 23 1HB SER 23 3.095 -3.064 2.650
164 HG SER 23 HG SER 23 5.323 -3.712 2.975
165 H ARG 24 H ARG 24 4.134 -6.184 0.799
166 HA ARG 24 HA ARG 24 1.694 -7.599 1.617
167 HB2 ARG 24 2HB ARG 24 2.867 -8.368 -0.443
168 HB3 ARG 24 1HB ARG 24 4.233 -8.778 0.592
169 HG2 ARG 24 2HG ARG 24 2.905 -10.797 0.065
170 HG3 ARG 24 1HG ARG 24 2.862 -10.431 1.792
171 HD2 ARG 24 2HD ARG 24 0.678 -9.375 1.529
172 HD3 ARG 24 1HD ARG 24 0.725 -9.667 -0.202
173 HE ARG 24 HE ARG 24 0.911 -12.020 1.476
174 HH11 ARG 24 1HH1 ARG 24 -1.135 -9.954 -0.494
175 HH12 ARG 24 2HH1 ARG 24 -2.509 -10.920 -0.495
176 HH21 ARG 24 1HH2 ARG 24 -0.922 -13.480 1.500
177 HH22 ARG 24 2HH2 ARG 24 -2.352 -13.090 0.652
178 H ARG 25 H ARG 25 4.970 -6.798 2.466
179 HA ARG 25 HA ARG 25 5.225 -8.556 4.685
180 HB2 ARG 25 2HB ARG 25 6.982 -7.143 3.295
181 HB3 ARG 25 1HB ARG 25 6.564 -5.873 4.422
182 HG2 ARG 25 2HG ARG 25 7.806 -8.538 5.066
183 HG3 ARG 25 1HG ARG 25 8.600 -6.971 5.068
184 HD2 ARG 25 2HD ARG 25 6.430 -7.914 6.957
185 HD3 ARG 25 1HD ARG 25 8.132 -7.695 7.352
186 HE ARG 25 HE ARG 25 7.275 -5.260 6.456
187 HH11 ARG 25 1HH1 ARG 25 6.404 -7.434 9.111
188 HH12 ARG 25 2HH1 ARG 25 5.742 -6.192 10.084
189 HH21 ARG 25 1HH2 ARG 25 6.294 -3.559 7.819
190 HH22 ARG 25 2HH2 ARG 25 5.686 -4.013 9.356
191 H ASP 26 H ASP 26 4.381 -5.141 4.182
192 HA ASP 26 HA ASP 26 3.672 -4.740 6.948
193 HB2 ASP 26 2HB ASP 26 3.376 -2.855 4.612
194 HB3 ASP 26 1HB ASP 26 3.389 -2.476 6.317
195 H ARG 27 H ARG 27 2.201 -5.517 3.865
196 HA ARG 27 HA ARG 27 0.286 -5.472 2.987
197 HB2 ARG 27 2HB ARG 27 -0.612 -6.300 5.720
198 HB3 ARG 27 1HB ARG 27 -1.555 -6.328 4.223
199 HG2 ARG 27 2HG ARG 27 0.523 -7.654 3.339
200 HG3 ARG 27 1HG ARG 27 0.686 -8.066 5.044
201 HD2 ARG 27 2HD ARG 27 -0.646 -9.710 3.856
202 HD3 ARG 27 1HD ARG 27 -1.629 -8.860 5.058
203 HE ARG 27 HE ARG 27 -1.845 -7.474 2.663
204 HH11 ARG 27 1HH1 ARG 27 -2.691 -10.747 3.725
205 HH12 ARG 27 2HH1 ARG 27 -4.150 -10.787 2.851
206 HH21 ARG 27 1HH2 ARG 27 -3.883 -7.520 1.545
207 HH22 ARG 27 2HH2 ARG 27 -4.831 -8.931 1.588
208 H TRP 28 H TRP 28 0.953 -2.858 4.467
209 HA TRP 28 HA TRP 28 -1.722 -1.825 4.033
210 HB2 TRP 28 2HB TRP 28 -1.040 0.189 5.381
211 HB3 TRP 28 1HB TRP 28 -0.988 -1.315 6.233
212 HD1 TRP 28 HD TRP 28 1.813 0.390 4.169
213 HE1 TRP 28 1HE TRP 28 3.863 0.590 5.784
214 HE3 TRP 28 3HE TRP 28 -0.342 -1.468 8.267
215 HZ2 TRP 28 2HZ TRP 28 4.407 -0.002 8.503
216 HZ3 TRP 28 3HZ TRP 28 0.885 -1.637 10.336
217 HH2 TRP 28 HH TRP 28 3.257 -0.915 10.483
218 H CYS 29 H CYS 29 -1.551 0.555 3.304
219 HA CYS 29 HA CYS 29 -0.373 0.485 0.661
220 HB2 CYS 29 2HB CYS 29 -2.660 1.423 1.248
221 HB3 CYS 29 1HB CYS 29 -1.827 2.724 2.085
222 H LYS 30 H LYS 30 1.811 0.625 0.802
223 HA LYS 30 HA LYS 30 2.874 2.585 2.631
224 HB2 LYS 30 2HB LYS 30 3.559 0.206 2.869
225 HB3 LYS 30 1HB LYS 30 4.203 0.261 1.235
226 HG2 LYS 30 2HG LYS 30 5.821 1.776 1.810
227 HG3 LYS 30 1HG LYS 30 5.111 2.076 3.421
228 HD2 LYS 30 2HD LYS 30 7.072 0.677 3.670
229 HD3 LYS 30 1HD LYS 30 5.643 -0.321 3.948
230 HE2 LYS 30 2HE LYS 30 5.794 -1.151 1.655
231 HE3 LYS 30 1HE LYS 30 7.198 -0.120 1.398
232 HZ1 LYS 30 1HZ LYS 30 7.041 -2.321 3.373
233 HZ2 LYS 30 2HZ LYS 30 8.402 -1.351 3.049
234 HZ3 LYS 30 3HZ LYS 30 7.808 -2.392 1.867
235 H TYR 31 H TYR 31 4.401 4.050 1.889
236 HA TYR 31 HA TYR 31 3.974 5.128 -0.683
237 HB2 TYR 31 2HB TYR 31 4.691 6.373 1.382
238 HB3 TYR 31 1HB TYR 31 6.269 5.614 1.192
239 HD1 TYR 31 1HD TYR 31 7.916 6.690 -0.064
240 HD2 TYR 31 2HD TYR 31 3.846 7.776 -0.605
241 HE1 TYR 31 1HE TYR 31 8.606 8.543 -1.510
242 HE2 TYR 31 2HE TYR 31 4.510 9.627 -2.040
243 HH TYR 31 HH TYR 31 6.468 11.015 -2.419
244 H TYR 32 H TYR 32 5.061 4.769 -2.565
245 HA TYR 32 HA TYR 32 7.066 2.682 -2.480
246 HB2 TYR 32 2HB TYR 32 5.186 2.569 -4.046
247 HB3 TYR 32 1HB TYR 32 5.794 4.018 -4.867
248 HD1 TYR 32 1HD TYR 32 7.301 3.740 -6.631
249 HD2 TYR 32 2HD TYR 32 6.745 0.592 -3.863
250 HE1 TYR 32 1HE TYR 32 8.710 2.302 -8.017
251 HE2 TYR 32 2HE TYR 32 8.155 -0.880 -5.234
252 HH TYR 32 HH TYR 32 10.111 0.242 -7.716
253 H LEU 33 H LEU 33 8.964 3.256 -2.230
254 HA LEU 33 HA LEU 33 9.802 6.006 -2.488
255 HB2 LEU 33 2HB LEU 33 10.447 4.622 -0.541
256 HB3 LEU 33 1HB LEU 33 11.396 3.600 -1.594
257 HG LEU 33 HG LEU 33 12.824 5.583 -2.126
258 HD11 LEU 33 1HD1 LEU 33 11.252 6.860 0.102
259 HD12 LEU 33 2HD1 LEU 33 11.261 7.355 -1.591
260 HD13 LEU 33 3HD1 LEU 33 12.721 7.510 -0.617
261 HD21 LEU 33 1HD2 LEU 33 13.512 3.923 -0.478
262 HD22 LEU 33 2HD2 LEU 33 12.641 4.798 0.781
263 HD23 LEU 33 3HD2 LEU 33 14.039 5.537 -0.004
264 HN1 NH2 34 1H LEU 33 11.658 3.167 -3.413
265 HN2 NH2 34 2H LEU 33 12.146 3.755 -4.959
Start of MODEL 19
1 H1 ASP 1 1HT ASP 1 -11.790 7.730 -6.024
2 H2 ASP 1 2HT ASP 1 -11.183 6.172 -6.348
3 H3 ASP 1 3HT ASP 1 -10.149 7.444 -6.211
4 HA ASP 1 HA ASP 1 -10.517 7.717 -3.917
5 HB2 ASP 1 2HB ASP 1 -12.376 5.338 -4.216
6 HB3 ASP 1 1HB ASP 1 -11.801 5.971 -2.685
7 H CYS 2 H CYS 2 -9.292 6.424 -2.390
8 HA CYS 2 HA CYS 2 -8.097 4.016 -3.435
9 HB2 CYS 2 2HB CYS 2 -5.850 4.909 -3.198
10 HB3 CYS 2 1HB CYS 2 -6.711 5.793 -4.431
11 H LEU 3 H LEU 3 -6.033 3.952 -1.726
12 HA LEU 3 HA LEU 3 -7.294 3.890 0.913
13 HB2 LEU 3 2HB LEU 3 -5.204 2.198 -0.355
14 HB3 LEU 3 1HB LEU 3 -5.675 2.045 1.332
15 HG LEU 3 HG LEU 3 -7.342 1.400 -1.109
16 HD11 LEU 3 1HD1 LEU 3 -6.321 -0.320 1.131
17 HD12 LEU 3 2HD1 LEU 3 -5.718 -0.292 -0.526
18 HD13 LEU 3 3HD1 LEU 3 -7.355 -0.856 -0.190
19 HD21 LEU 3 1HD2 LEU 3 -8.152 1.359 1.794
20 HD22 LEU 3 2HD2 LEU 3 -9.094 0.682 0.468
21 HD23 LEU 3 3HD2 LEU 3 -8.802 2.418 0.541
22 H GLY 4 H GLY 4 -5.825 4.405 2.670
23 HA2 GLY 4 2HA GLY 4 -3.709 6.044 1.733
24 HA3 GLY 4 1HA GLY 4 -4.459 6.127 3.342
25 H TRP 5 H TRP 5 -2.232 5.997 3.959
26 HA TRP 5 HA TRP 5 -0.450 4.058 3.166
27 HB2 TRP 5 2HB TRP 5 0.133 6.243 4.299
28 HB3 TRP 5 1HB TRP 5 -0.259 5.441 5.813
29 HD1 TRP 5 HD TRP 5 1.267 2.671 5.394
30 HE1 TRP 5 1HE TRP 5 3.838 2.598 5.331
31 HE3 TRP 5 3HE TRP 5 2.153 7.539 4.267
32 HZ2 TRP 5 2HZ TRP 5 5.957 4.393 4.865
33 HZ3 TRP 5 3HZ TRP 5 4.497 8.296 4.034
34 HH2 TRP 5 HH TRP 5 6.341 6.737 4.331
35 H PHE 6 H PHE 6 -1.936 4.247 6.236
36 HA PHE 6 HA PHE 6 -0.987 1.540 6.841
37 HB2 PHE 6 2HB PHE 6 -2.445 3.550 8.537
38 HB3 PHE 6 1HB PHE 6 -1.733 2.041 9.147
39 HD1 PHE 6 1HD PHE 6 0.840 1.839 8.677
40 HD2 PHE 6 2HD PHE 6 -1.347 5.482 8.695
41 HE1 PHE 6 1HE PHE 6 2.909 3.075 9.109
42 HE2 PHE 6 2HE PHE 6 0.718 6.726 9.117
43 HZ PHE 6 HZ PHE 6 2.846 5.526 9.327
44 H LYS 7 H LYS 7 -3.263 2.208 4.979
45 HA LYS 7 HA LYS 7 -5.359 0.776 6.369
46 HB2 LYS 7 2HB LYS 7 -5.366 1.766 3.548
47 HB3 LYS 7 1HB LYS 7 -6.719 1.132 4.437
48 HG2 LYS 7 2HG LYS 7 -5.298 3.722 5.013
49 HG3 LYS 7 1HG LYS 7 -6.914 3.528 4.340
50 HD2 LYS 7 2HD LYS 7 -6.035 2.685 7.111
51 HD3 LYS 7 1HD LYS 7 -6.966 4.127 6.737
52 HE2 LYS 7 2HE LYS 7 -7.845 1.261 6.335
53 HE3 LYS 7 1HE LYS 7 -8.408 2.357 7.592
54 HZ1 LYS 7 1HZ LYS 7 -8.898 2.546 4.676
55 HZ2 LYS 7 2HZ LYS 7 -9.227 3.806 5.698
56 HZ3 LYS 7 3HZ LYS 7 -10.040 2.341 5.879
57 H SER 8 H SER 8 -5.999 -1.170 5.857
58 HA SER 8 HA SER 8 -4.142 -3.015 5.038
59 HB2 SER 8 2HB SER 8 -7.058 -3.408 5.057
60 HB3 SER 8 1HB SER 8 -5.765 -4.443 5.659
61 HG SER 8 HG SER 8 -5.718 -3.467 7.480
62 H CYS 9 H CYS 9 -3.842 -3.828 3.114
63 HA CYS 9 HA CYS 9 -5.835 -3.635 1.011
64 HB2 CYS 9 2HB CYS 9 -4.478 -1.683 0.761
65 HB3 CYS 9 1HB CYS 9 -3.017 -2.685 0.755
66 H ASP 10 H ASP 10 -4.768 -4.758 -0.882
67 HA ASP 10 HA ASP 10 -3.220 -7.071 0.009
68 HB2 ASP 10 2HB ASP 10 -5.585 -7.750 -0.226
69 HB3 ASP 10 1HB ASP 10 -5.568 -7.187 -1.885
70 HA PRO 11 HA PRO 11 -0.574 -5.388 -3.093
71 HB2 PRO 11 2HB PRO 11 0.693 -7.800 -3.646
72 HB3 PRO 11 1HB PRO 11 1.206 -6.661 -2.374
73 HG2 PRO 11 2HG PRO 11 -0.452 -9.137 -2.218
74 HG3 PRO 11 1HG PRO 11 0.760 -8.521 -1.081
75 HD2 PRO 11 2HD PRO 11 -1.804 -8.304 -0.552
76 HD3 PRO 11 1HD PRO 11 -0.708 -6.950 -0.184
77 H LYS 12 H LYS 12 -2.533 -8.131 -3.674
78 HA LYS 12 HA LYS 12 -1.986 -8.141 -6.538
79 HB2 LYS 12 2HB LYS 12 -3.880 -9.926 -5.038
80 HB3 LYS 12 1HB LYS 12 -3.132 -10.228 -6.602
81 HG2 LYS 12 2HG LYS 12 -0.943 -10.429 -5.483
82 HG3 LYS 12 1HG LYS 12 -1.733 -10.159 -3.933
83 HD2 LYS 12 2HD LYS 12 -2.207 -12.476 -5.813
84 HD3 LYS 12 1HD LYS 12 -1.336 -12.533 -4.286
85 HE2 LYS 12 2HE LYS 12 -4.293 -11.995 -4.672
86 HE3 LYS 12 1HE LYS 12 -3.562 -13.452 -4.032
87 HZ1 LYS 12 1HZ LYS 12 -3.650 -10.770 -2.719
88 HZ2 LYS 12 2HZ LYS 12 -2.706 -12.049 -2.160
89 HZ3 LYS 12 3HZ LYS 12 -4.363 -12.198 -2.197
90 H ASN 13 H ASN 13 -4.033 -6.675 -4.389
91 HA ASN 13 HA ASN 13 -6.130 -6.154 -6.418
92 HB2 ASN 13 2HB ASN 13 -6.801 -7.820 -4.588
93 HB3 ASN 13 1HB ASN 13 -6.596 -6.507 -3.448
94 HD21 ASN 13 1HD2 ASN 13 -8.067 -6.329 -6.693
95 HD22 ASN 13 2HD2 ASN 13 -9.609 -5.841 -6.128
96 H ASP 14 H ASP 14 -3.966 -4.708 -6.059
97 HA ASP 14 HA ASP 14 -3.748 -2.859 -3.981
98 HB2 ASP 14 2HB ASP 14 -2.029 -3.397 -5.657
99 HB3 ASP 14 1HB ASP 14 -2.922 -2.389 -6.808
100 H LYS 15 H LYS 15 -4.780 -1.216 -3.452
101 HA LYS 15 HA LYS 15 -6.503 0.260 -5.328
102 HB2 LYS 15 2HB LYS 15 -6.944 -0.552 -2.483
103 HB3 LYS 15 1HB LYS 15 -7.868 0.724 -3.240
104 HG2 LYS 15 2HG LYS 15 -7.740 -2.147 -4.174
105 HG3 LYS 15 1HG LYS 15 -9.040 -1.459 -3.201
106 HD2 LYS 15 2HD LYS 15 -8.272 -0.556 -5.992
107 HD3 LYS 15 1HD LYS 15 -9.625 -1.603 -5.583
108 HE2 LYS 15 2HE LYS 15 -10.603 0.185 -4.233
109 HE3 LYS 15 1HE LYS 15 -9.265 1.246 -4.663
110 HZ1 LYS 15 1HZ LYS 15 -9.932 1.132 -6.958
111 HZ2 LYS 15 2HZ LYS 15 -11.221 1.658 -6.034
112 HZ3 LYS 15 3HZ LYS 15 -11.187 0.071 -6.603
113 H CYS 16 H CYS 16 -3.687 0.733 -4.431
114 HA CYS 16 HA CYS 16 -3.811 2.885 -2.550
115 HB2 CYS 16 2HB CYS 16 -1.647 1.596 -4.127
116 HB3 CYS 16 1HB CYS 16 -1.372 3.086 -3.227
117 H CYS 17 H CYS 17 -3.350 5.044 -2.869
118 HA CYS 17 HA CYS 17 -3.903 6.137 -5.413
119 HB2 CYS 17 2HB CYS 17 -3.295 7.165 -2.708
120 HB3 CYS 17 1HB CYS 17 -2.758 8.171 -4.022
121 H LYS 18 H LYS 18 -2.288 7.966 -5.854
122 HA LYS 18 HA LYS 18 -0.163 6.892 -7.271
123 HB2 LYS 18 2HB LYS 18 -1.279 8.986 -7.800
124 HB3 LYS 18 1HB LYS 18 -0.595 9.721 -6.359
125 HG2 LYS 18 2HG LYS 18 1.600 9.478 -7.227
126 HG3 LYS 18 1HG LYS 18 0.966 8.619 -8.643
127 HD2 LYS 18 2HD LYS 18 -0.318 10.618 -9.272
128 HD3 LYS 18 1HD LYS 18 0.339 11.473 -7.877
129 HE2 LYS 18 2HE LYS 18 1.986 10.382 -10.165
130 HE3 LYS 18 1HE LYS 18 1.454 12.053 -10.012
131 HZ1 LYS 18 1HZ LYS 18 3.713 11.765 -9.269
132 HZ2 LYS 18 2HZ LYS 18 3.235 10.642 -8.100
133 HZ3 LYS 18 3HZ LYS 18 2.732 12.239 -7.987
134 H ASN 19 H ASN 19 1.915 6.563 -6.882
135 HA ASN 19 HA ASN 19 3.975 6.478 -5.981
136 HB2 ASN 19 2HB ASN 19 3.478 8.990 -5.672
137 HB3 ASN 19 1HB ASN 19 3.224 8.607 -3.981
138 HD21 ASN 19 1HD2 ASN 19 4.978 8.018 -2.729
139 HD22 ASN 19 2HD2 ASN 19 6.617 8.237 -3.211
140 H TYR 20 H TYR 20 1.451 5.328 -4.744
141 HA TYR 20 HA TYR 20 2.815 4.098 -2.481
142 HB2 TYR 20 2HB TYR 20 -0.064 4.888 -2.747
143 HB3 TYR 20 1HB TYR 20 0.464 3.660 -1.639
144 HD1 TYR 20 1HD TYR 20 1.038 4.219 0.518
145 HD2 TYR 20 2HD TYR 20 1.179 7.242 -2.461
146 HE1 TYR 20 1HE TYR 20 1.541 5.852 2.232
147 HE2 TYR 20 2HE TYR 20 1.686 8.914 -0.742
148 HH TYR 20 HH TYR 20 2.527 7.991 2.458
149 H THR 21 H THR 21 2.018 1.969 -2.075
150 HA THR 21 HA THR 21 0.704 0.445 -4.183
151 HB THR 21 HB THR 21 3.413 -0.416 -3.361
152 HG1 THR 21 1HG THR 21 2.768 1.680 -4.976
153 HG21 THR 21 1HG2 THR 21 3.422 -1.503 -5.562
154 HG22 THR 21 2HG2 THR 21 1.838 -0.803 -5.887
155 HG23 THR 21 3HG2 THR 21 2.034 -1.976 -4.578
156 H CYS 22 H CYS 22 -0.202 -1.401 -3.033
157 HA CYS 22 HA CYS 22 0.600 -1.331 -0.328
158 HB2 CYS 22 2HB CYS 22 -1.193 -2.981 0.011
159 HB3 CYS 22 1HB CYS 22 -1.721 -1.345 -0.405
160 H SER 23 H SER 23 1.546 -2.666 0.803
161 HA SER 23 HA SER 23 3.301 -4.523 -0.537
162 HB2 SER 23 2HB SER 23 4.231 -2.931 1.040
163 HB3 SER 23 1HB SER 23 3.091 -3.428 2.280
164 HG SER 23 HG SER 23 5.478 -4.567 1.493
165 H ARG 24 H ARG 24 3.619 -6.682 0.400
166 HA ARG 24 HA ARG 24 1.131 -7.877 1.377
167 HB2 ARG 24 2HB ARG 24 2.721 -8.817 -0.509
168 HB3 ARG 24 1HB ARG 24 3.693 -9.322 0.865
169 HG2 ARG 24 2HG ARG 24 0.848 -10.213 0.298
170 HG3 ARG 24 1HG ARG 24 2.293 -11.177 0.044
171 HD2 ARG 24 2HD ARG 24 1.261 -10.139 2.669
172 HD3 ARG 24 1HD ARG 24 1.119 -11.809 2.101
173 HE ARG 24 HE ARG 24 3.794 -11.289 2.030
174 HH11 ARG 24 1HH1 ARG 24 1.358 -11.174 4.607
175 HH12 ARG 24 2HH1 ARG 24 2.481 -11.430 5.858
176 HH21 ARG 24 1HH2 ARG 24 5.334 -11.596 3.809
177 HH22 ARG 24 2HH2 ARG 24 4.742 -11.678 5.407
178 H ARG 25 H ARG 25 4.581 -7.510 2.005
179 HA ARG 25 HA ARG 25 5.069 -8.705 4.388
180 HB2 ARG 25 2HB ARG 25 6.749 -7.570 3.084
181 HB3 ARG 25 1HB ARG 25 5.945 -6.036 3.334
182 HG2 ARG 25 2HG ARG 25 6.387 -6.210 5.708
183 HG3 ARG 25 1HG ARG 25 7.317 -7.690 5.383
184 HD2 ARG 25 2HD ARG 25 8.902 -6.493 4.078
185 HD3 ARG 25 1HD ARG 25 7.907 -5.034 4.089
186 HE ARG 25 HE ARG 25 8.361 -5.529 6.682
187 HH11 ARG 25 1HH1 ARG 25 10.518 -5.088 3.895
188 HH12 ARG 25 2HH1 ARG 25 11.773 -4.407 4.802
189 HH21 ARG 25 1HH2 ARG 25 10.107 -4.588 7.913
190 HH22 ARG 25 2HH2 ARG 25 11.551 -4.109 7.139
191 H ASP 26 H ASP 26 4.051 -5.388 3.891
192 HA ASP 26 HA ASP 26 3.386 -5.091 6.687
193 HB2 ASP 26 2HB ASP 26 3.343 -3.101 4.425
194 HB3 ASP 26 1HB ASP 26 2.953 -2.796 6.087
195 H ARG 27 H ARG 27 1.761 -5.857 3.701
196 HA ARG 27 HA ARG 27 -0.189 -5.611 2.888
197 HB2 ARG 27 2HB ARG 27 -0.566 -6.784 5.520
198 HB3 ARG 27 1HB ARG 27 -2.004 -6.134 4.709
199 HG2 ARG 27 2HG ARG 27 -1.424 -7.543 2.754
200 HG3 ARG 27 1HG ARG 27 -0.094 -8.218 3.706
201 HD2 ARG 27 2HD ARG 27 -1.527 -9.254 5.213
202 HD3 ARG 27 1HD ARG 27 -2.892 -8.233 4.776
203 HE ARG 27 HE ARG 27 -1.934 -9.989 2.684
204 HH11 ARG 27 1HH1 ARG 27 -4.197 -9.630 5.387
205 HH12 ARG 27 2HH1 ARG 27 -5.302 -10.780 4.812
206 HH21 ARG 27 1HH2 ARG 27 -3.450 -11.558 1.884
207 HH22 ARG 27 2HH2 ARG 27 -4.870 -11.912 2.770
208 H TRP 28 H TRP 28 0.794 -3.108 4.151
209 HA TRP 28 HA TRP 28 -1.790 -1.802 4.002
210 HB2 TRP 28 2HB TRP 28 -0.860 0.081 5.248
211 HB3 TRP 28 1HB TRP 28 -0.767 -1.402 6.155
212 HD1 TRP 28 HD TRP 28 2.000 -0.314 3.679
213 HE1 TRP 28 1HE TRP 28 4.143 0.180 5.111
214 HE3 TRP 28 3HE TRP 28 0.011 -0.829 8.254
215 HZ2 TRP 28 2HZ TRP 28 4.816 0.372 7.836
216 HZ3 TRP 28 3HZ TRP 28 1.414 -0.463 10.257
217 HH2 TRP 28 HH TRP 28 3.781 0.126 10.036
218 H CYS 29 H CYS 29 -1.346 0.549 3.219
219 HA CYS 29 HA CYS 29 -0.339 0.208 0.542
220 HB2 CYS 29 2HB CYS 29 -2.511 1.303 1.100
221 HB3 CYS 29 1HB CYS 29 -1.606 2.583 1.893
222 H LYS 30 H LYS 30 1.835 0.212 0.575
223 HA LYS 30 HA LYS 30 3.274 1.808 2.470
224 HB2 LYS 30 2HB LYS 30 3.655 -0.647 1.894
225 HB3 LYS 30 1HB LYS 30 4.308 -0.078 0.372
226 HG2 LYS 30 2HG LYS 30 6.004 1.176 1.584
227 HG3 LYS 30 1HG LYS 30 5.346 0.554 3.108
228 HD2 LYS 30 2HD LYS 30 5.752 -1.760 2.270
229 HD3 LYS 30 1HD LYS 30 6.548 -1.071 0.860
230 HE2 LYS 30 2HE LYS 30 8.229 -1.745 2.436
231 HE3 LYS 30 1HE LYS 30 8.179 0.017 2.403
232 HZ1 LYS 30 1HZ LYS 30 6.826 -1.678 4.436
233 HZ2 LYS 30 2HZ LYS 30 6.952 0.015 4.464
234 HZ3 LYS 30 3HZ LYS 30 8.316 -0.935 4.656
235 H TYR 31 H TYR 31 4.480 3.493 1.924
236 HA TYR 31 HA TYR 31 4.063 5.012 -0.410
237 HB2 TYR 31 2HB TYR 31 4.794 5.798 1.873
238 HB3 TYR 31 1HB TYR 31 6.353 5.069 1.514
239 HD1 TYR 31 1HD TYR 31 8.028 6.314 0.418
240 HD2 TYR 31 2HD TYR 31 4.016 7.719 0.412
241 HE1 TYR 31 1HE TYR 31 8.788 8.470 -0.478
242 HE2 TYR 31 2HE TYR 31 4.757 9.862 -0.489
243 HH TYR 31 HH TYR 31 6.802 11.195 -0.487
244 H TYR 32 H TYR 32 5.021 4.742 -2.381
245 HA TYR 32 HA TYR 32 7.208 2.875 -2.559
246 HB2 TYR 32 2HB TYR 32 5.457 2.672 -4.235
247 HB3 TYR 32 1HB TYR 32 5.699 4.352 -4.710
248 HD1 TYR 32 1HD TYR 32 7.593 1.181 -4.387
249 HD2 TYR 32 2HD TYR 32 7.071 4.800 -6.525
250 HE1 TYR 32 1HE TYR 32 9.280 0.440 -6.007
251 HE2 TYR 32 2HE TYR 32 8.761 4.098 -8.168
252 HH TYR 32 HH TYR 32 10.686 2.553 -8.276
253 H LEU 33 H LEU 33 9.114 3.484 -2.372
254 HA LEU 33 HA LEU 33 9.867 6.235 -3.012
255 HB2 LEU 33 2HB LEU 33 10.184 5.519 -0.648
256 HB3 LEU 33 1HB LEU 33 11.249 4.247 -1.200
257 HG LEU 33 HG LEU 33 12.825 5.957 -2.039
258 HD11 LEU 33 1HD1 LEU 33 12.542 8.290 -1.359
259 HD12 LEU 33 2HD1 LEU 33 10.941 7.913 -0.726
260 HD13 LEU 33 3HD1 LEU 33 11.262 7.776 -2.455
261 HD21 LEU 33 1HD2 LEU 33 13.115 4.997 0.178
262 HD22 LEU 33 2HD2 LEU 33 12.063 6.234 0.864
263 HD23 LEU 33 3HD2 LEU 33 13.613 6.688 0.153
264 HN1 NH2 34 1H LEU 33 10.079 5.738 -5.199
265 HN2 NH2 34 2H LEU 33 11.356 4.755 -5.823
Start of MODEL 20
1 H1 ASP 1 1HT ASP 1 -10.824 5.596 -6.388
2 H2 ASP 1 2HT ASP 1 -12.352 5.810 -5.703
3 H3 ASP 1 3HT ASP 1 -11.555 4.306 -5.594
4 HA ASP 1 HA ASP 1 -10.622 6.833 -4.414
5 HB2 ASP 1 2HB ASP 1 -11.868 4.403 -3.096
6 HB3 ASP 1 1HB ASP 1 -11.102 5.726 -2.229
7 H CYS 2 H CYS 2 -8.912 6.343 -2.786
8 HA CYS 2 HA CYS 2 -7.362 4.000 -3.499
9 HB2 CYS 2 2HB CYS 2 -5.306 5.392 -3.464
10 HB3 CYS 2 1HB CYS 2 -6.329 5.696 -4.840
11 H LEU 3 H LEU 3 -5.252 4.392 -1.916
12 HA LEU 3 HA LEU 3 -6.511 4.465 0.710
13 HB2 LEU 3 2HB LEU 3 -4.257 2.733 -0.254
14 HB3 LEU 3 1HB LEU 3 -4.861 2.791 1.386
15 HG LEU 3 HG LEU 3 -6.352 1.809 -1.037
16 HD11 LEU 3 1HD1 LEU 3 -5.213 0.382 1.349
17 HD12 LEU 3 2HD1 LEU 3 -4.625 0.299 -0.313
18 HD13 LEU 3 3HD1 LEU 3 -6.210 -0.359 0.100
19 HD21 LEU 3 1HD2 LEU 3 -7.900 2.853 0.525
20 HD22 LEU 3 2HD2 LEU 3 -7.217 1.920 1.854
21 HD23 LEU 3 3HD2 LEU 3 -8.087 1.099 0.558
22 H GLY 4 H GLY 4 -5.091 5.054 2.420
23 HA2 GLY 4 2HA GLY 4 -3.274 6.986 1.464
24 HA3 GLY 4 1HA GLY 4 -3.788 6.846 3.163
25 H TRP 5 H TRP 5 -2.470 5.612 4.557
26 HA TRP 5 HA TRP 5 -0.336 4.249 3.271
27 HB2 TRP 5 2HB TRP 5 0.223 6.387 4.521
28 HB3 TRP 5 1HB TRP 5 -0.223 5.512 5.971
29 HD1 TRP 5 HD TRP 5 1.228 2.793 5.607
30 HE1 TRP 5 1HE TRP 5 3.813 2.614 5.613
31 HE3 TRP 5 3HE TRP 5 2.355 7.602 4.391
32 HZ2 TRP 5 2HZ TRP 5 6.023 4.316 5.159
33 HZ3 TRP 5 3HZ TRP 5 4.726 8.260 4.198
34 HH2 TRP 5 HH TRP 5 6.513 6.646 4.577
35 H PHE 6 H PHE 6 -1.918 4.406 6.295
36 HA PHE 6 HA PHE 6 -1.211 1.611 6.810
37 HB2 PHE 6 2HB PHE 6 -2.714 3.528 8.603
38 HB3 PHE 6 1HB PHE 6 -1.930 2.018 9.073
39 HD1 PHE 6 1HD PHE 6 -1.592 5.531 8.585
40 HD2 PHE 6 2HD PHE 6 0.565 1.883 8.917
41 HE1 PHE 6 1HE PHE 6 0.448 6.782 9.101
42 HE2 PHE 6 2HE PHE 6 2.598 3.130 9.431
43 HZ PHE 6 HZ PHE 6 2.534 5.589 9.524
44 H LYS 7 H LYS 7 -3.291 2.345 4.822
45 HA LYS 7 HA LYS 7 -5.576 1.011 6.035
46 HB2 LYS 7 2HB LYS 7 -5.235 1.998 3.229
47 HB3 LYS 7 1HB LYS 7 -6.687 1.320 3.902
48 HG2 LYS 7 2HG LYS 7 -5.414 3.914 4.760
49 HG3 LYS 7 1HG LYS 7 -6.883 3.739 3.803
50 HD2 LYS 7 2HD LYS 7 -6.507 2.834 6.672
51 HD3 LYS 7 1HD LYS 7 -7.394 4.253 6.147
52 HE2 LYS 7 2HE LYS 7 -8.107 1.376 5.551
53 HE3 LYS 7 1HE LYS 7 -8.911 2.431 6.700
54 HZ1 LYS 7 1HZ LYS 7 -9.533 3.884 4.805
55 HZ2 LYS 7 2HZ LYS 7 -10.202 2.371 4.743
56 HZ3 LYS 7 3HZ LYS 7 -8.919 2.727 3.734
57 H SER 8 H SER 8 -6.337 -0.969 5.299
58 HA SER 8 HA SER 8 -4.345 -2.830 4.793
59 HB2 SER 8 2HB SER 8 -7.251 -3.294 4.513
60 HB3 SER 8 1HB SER 8 -5.997 -4.276 5.260
61 HG SER 8 HG SER 8 -6.824 -3.492 7.023
62 H CYS 9 H CYS 9 -3.839 -3.719 2.940
63 HA CYS 9 HA CYS 9 -5.565 -3.515 0.623
64 HB2 CYS 9 2HB CYS 9 -4.106 -1.613 0.550
65 HB3 CYS 9 1HB CYS 9 -2.706 -2.695 0.659
66 H ASP 10 H ASP 10 -4.301 -4.680 -1.114
67 HA ASP 10 HA ASP 10 -2.863 -7.003 -0.090
68 HB2 ASP 10 2HB ASP 10 -5.356 -7.526 -0.315
69 HB3 ASP 10 1HB ASP 10 -5.138 -7.316 -2.048
70 HA PRO 11 HA PRO 11 -0.316 -5.701 -3.480
71 HB2 PRO 11 2HB PRO 11 0.736 -8.234 -3.979
72 HB3 PRO 11 1HB PRO 11 1.445 -7.017 -2.894
73 HG2 PRO 11 2HG PRO 11 -0.273 -9.380 -2.301
74 HG3 PRO 11 1HG PRO 11 1.045 -8.691 -1.339
75 HD2 PRO 11 2HD PRO 11 -1.492 -8.332 -0.657
76 HD3 PRO 11 1HD PRO 11 -0.314 -7.012 -0.469
77 H LYS 12 H LYS 12 -2.453 -8.413 -3.741
78 HA LYS 12 HA LYS 12 -2.202 -8.511 -6.640
79 HB2 LYS 12 2HB LYS 12 -3.793 -10.202 -4.722
80 HB3 LYS 12 1HB LYS 12 -3.680 -10.465 -6.458
81 HG2 LYS 12 2HG LYS 12 -1.342 -10.952 -6.290
82 HG3 LYS 12 1HG LYS 12 -1.328 -10.506 -4.583
83 HD2 LYS 12 2HD LYS 12 -1.353 -12.923 -4.841
84 HD3 LYS 12 1HD LYS 12 -2.842 -12.363 -4.092
85 HE2 LYS 12 2HE LYS 12 -4.001 -12.558 -6.242
86 HE3 LYS 12 1HE LYS 12 -2.499 -13.075 -7.001
87 HZ1 LYS 12 1HZ LYS 12 -4.021 -14.910 -6.405
88 HZ2 LYS 12 2HZ LYS 12 -3.785 -14.546 -4.767
89 HZ3 LYS 12 3HZ LYS 12 -2.487 -15.035 -5.724
90 H ASN 13 H ASN 13 -3.917 -6.764 -4.440
91 HA ASN 13 HA ASN 13 -5.982 -6.127 -6.399
92 HB2 ASN 13 2HB ASN 13 -6.757 -7.848 -4.667
93 HB3 ASN 13 1HB ASN 13 -6.613 -6.568 -3.485
94 HD21 ASN 13 1HD2 ASN 13 -7.718 -6.062 -6.784
95 HD22 ASN 13 2HD2 ASN 13 -9.326 -5.618 -6.388
96 H ASP 14 H ASP 14 -3.773 -4.804 -5.946
97 HA ASP 14 HA ASP 14 -3.508 -2.974 -3.886
98 HB2 ASP 14 2HB ASP 14 -1.821 -3.432 -5.604
99 HB3 ASP 14 1HB ASP 14 -2.786 -2.488 -6.749
100 H LYS 15 H LYS 15 -4.437 -1.234 -3.307
101 HA LYS 15 HA LYS 15 -6.390 0.139 -5.032
102 HB2 LYS 15 2HB LYS 15 -6.420 -0.334 -2.062
103 HB3 LYS 15 1HB LYS 15 -7.572 0.638 -2.952
104 HG2 LYS 15 2HG LYS 15 -7.140 -2.331 -3.272
105 HG3 LYS 15 1HG LYS 15 -8.452 -1.578 -2.365
106 HD2 LYS 15 2HD LYS 15 -9.269 -0.535 -4.421
107 HD3 LYS 15 1HD LYS 15 -7.955 -1.290 -5.329
108 HE2 LYS 15 2HE LYS 15 -10.026 -2.554 -5.574
109 HE3 LYS 15 1HE LYS 15 -8.802 -3.497 -4.728
110 HZ1 LYS 15 1HZ LYS 15 -10.978 -3.688 -3.667
111 HZ2 LYS 15 2HZ LYS 15 -11.044 -2.033 -3.453
112 HZ3 LYS 15 3HZ LYS 15 -9.891 -2.928 -2.626
113 H CYS 16 H CYS 16 -3.451 0.582 -4.389
114 HA CYS 16 HA CYS 16 -3.406 2.730 -2.552
115 HB2 CYS 16 2HB CYS 16 -1.351 1.330 -4.134
116 HB3 CYS 16 1HB CYS 16 -0.969 2.896 -3.406
117 H CYS 17 H CYS 17 -2.145 4.704 -3.027
118 HA CYS 17 HA CYS 17 -3.523 5.952 -5.273
119 HB2 CYS 17 2HB CYS 17 -3.690 6.546 -2.633
120 HB3 CYS 17 1HB CYS 17 -2.376 7.593 -3.128
121 H LYS 18 H LYS 18 -2.123 8.268 -5.188
122 HA LYS 18 HA LYS 18 -0.048 7.774 -6.975
123 HB2 LYS 18 2HB LYS 18 -1.421 9.738 -7.036
124 HB3 LYS 18 1HB LYS 18 -0.869 10.204 -5.435
125 HG2 LYS 18 2HG LYS 18 1.326 10.566 -6.250
126 HG3 LYS 18 1HG LYS 18 0.850 10.007 -7.865
127 HD2 LYS 18 2HD LYS 18 -0.752 11.823 -8.036
128 HD3 LYS 18 1HD LYS 18 -0.326 12.383 -6.420
129 HE2 LYS 18 2HE LYS 18 0.741 13.722 -8.199
130 HE3 LYS 18 1HE LYS 18 1.915 12.926 -7.157
131 HZ1 LYS 18 1HZ LYS 18 2.268 11.262 -8.829
132 HZ2 LYS 18 2HZ LYS 18 2.490 12.762 -9.508
133 HZ3 LYS 18 3HZ LYS 18 1.070 11.906 -9.827
134 H ASN 19 H ASN 19 1.944 7.098 -6.543
135 HA ASN 19 HA ASN 19 4.040 6.956 -5.750
136 HB2 ASN 19 2HB ASN 19 3.790 9.397 -5.496
137 HB3 ASN 19 1HB ASN 19 3.302 9.180 -3.833
138 HD21 ASN 19 1HD2 ASN 19 5.944 7.353 -5.393
139 HD22 ASN 19 2HD2 ASN 19 7.155 7.995 -4.373
140 H TYR 20 H TYR 20 1.635 5.747 -4.555
141 HA TYR 20 HA TYR 20 2.998 4.452 -2.299
142 HB2 TYR 20 2HB TYR 20 0.074 5.076 -2.603
143 HB3 TYR 20 1HB TYR 20 0.710 3.938 -1.454
144 HD1 TYR 20 1HD TYR 20 0.601 7.538 -2.321
145 HD2 TYR 20 2HD TYR 20 1.724 4.653 0.595
146 HE1 TYR 20 1HE TYR 20 0.935 9.321 -0.686
147 HE2 TYR 20 2HE TYR 20 2.066 6.420 2.229
148 HH TYR 20 HH TYR 20 2.583 8.894 2.184
149 H THR 21 H THR 21 2.234 2.235 -1.967
150 HA THR 21 HA THR 21 0.853 0.763 -4.007
151 HB THR 21 HB THR 21 3.724 0.039 -3.552
152 HG1 THR 21 1HG THR 21 2.675 1.946 -5.226
153 HG21 THR 21 1HG2 THR 21 3.427 -1.321 -5.589
154 HG22 THR 21 2HG2 THR 21 1.767 -0.730 -5.682
155 HG23 THR 21 3HG2 THR 21 2.273 -1.721 -4.313
156 H CYS 22 H CYS 22 0.244 -1.321 -2.990
157 HA CYS 22 HA CYS 22 0.923 -1.127 -0.252
158 HB2 CYS 22 2HB CYS 22 -0.760 -2.878 0.064
159 HB3 CYS 22 1HB CYS 22 -1.366 -1.294 -0.432
160 H SER 23 H SER 23 1.689 -2.503 1.048
161 HA SER 23 HA SER 23 3.777 -4.174 -0.000
162 HB2 SER 23 2HB SER 23 4.269 -2.619 1.773
163 HB3 SER 23 1HB SER 23 2.934 -3.221 2.741
164 HG SER 23 HG SER 23 5.142 -3.902 3.305
165 H ARG 24 H ARG 24 4.118 -6.300 0.972
166 HA ARG 24 HA ARG 24 1.633 -7.766 1.525
167 HB2 ARG 24 2HB ARG 24 2.817 -8.612 -0.350
168 HB3 ARG 24 1HB ARG 24 4.322 -8.615 0.574
169 HG2 ARG 24 2HG ARG 24 3.369 -10.908 0.254
170 HG3 ARG 24 1HG ARG 24 3.560 -10.445 1.940
171 HD2 ARG 24 2HD ARG 24 1.177 -9.857 2.054
172 HD3 ARG 24 1HD ARG 24 0.992 -10.313 0.369
173 HE ARG 24 HE ARG 24 1.466 -12.569 0.967
174 HH11 ARG 24 1HH1 ARG 24 1.070 -10.493 3.819
175 HH12 ARG 24 2HH1 ARG 24 0.270 -11.679 4.748
176 HH21 ARG 24 1HH2 ARG 24 0.458 -14.236 2.319
177 HH22 ARG 24 2HH2 ARG 24 -0.010 -13.854 3.906
178 H ARG 25 H ARG 25 4.824 -6.982 2.612
179 HA ARG 25 HA ARG 25 5.043 -8.624 4.852
180 HB2 ARG 25 2HB ARG 25 6.861 -7.297 3.790
181 HB3 ARG 25 1HB ARG 25 6.086 -5.828 4.368
182 HG2 ARG 25 2HG ARG 25 6.383 -6.676 6.657
183 HG3 ARG 25 1HG ARG 25 7.327 -8.007 5.957
184 HD2 ARG 25 2HD ARG 25 8.852 -6.285 6.698
185 HD3 ARG 25 1HD ARG 25 8.841 -6.336 4.937
186 HE ARG 25 HE ARG 25 6.975 -4.420 5.612
187 HH11 ARG 25 1HH1 ARG 25 10.457 -4.816 6.121
188 HH12 ARG 25 2HH1 ARG 25 10.721 -3.134 6.311
189 HH21 ARG 25 1HH2 ARG 25 7.330 -2.253 5.941
190 HH22 ARG 25 2HH2 ARG 25 8.906 -1.630 6.231
191 H ASP 26 H ASP 26 4.051 -5.300 4.389
192 HA ASP 26 HA ASP 26 3.052 -5.012 7.084
193 HB2 ASP 26 2HB ASP 26 3.068 -3.035 4.816
194 HB3 ASP 26 1HB ASP 26 2.900 -2.728 6.528
195 H ARG 27 H ARG 27 1.894 -5.599 3.805
196 HA ARG 27 HA ARG 27 0.055 -5.423 2.723
197 HB2 ARG 27 2HB ARG 27 -1.270 -6.243 5.295
198 HB3 ARG 27 1HB ARG 27 -1.860 -6.363 3.625
199 HG2 ARG 27 2HG ARG 27 -0.034 -7.873 3.100
200 HG3 ARG 27 1HG ARG 27 0.446 -7.848 4.797
201 HD2 ARG 27 2HD ARG 27 -0.852 -9.776 4.474
202 HD3 ARG 27 1HD ARG 27 -1.865 -8.630 5.357
203 HE ARG 27 HE ARG 27 -2.080 -8.946 2.437
204 HH11 ARG 27 1HH1 ARG 27 -3.631 -8.947 5.638
205 HH12 ARG 27 2HH1 ARG 27 -5.175 -9.287 5.031
206 HH21 ARG 27 1HH2 ARG 27 -4.253 -9.423 1.592
207 HH22 ARG 27 2HH2 ARG 27 -5.536 -9.574 2.691
208 H TRP 28 H TRP 28 0.776 -2.960 4.380
209 HA TRP 28 HA TRP 28 -1.799 -1.730 3.924
210 HB2 TRP 28 2HB TRP 28 -1.019 0.209 5.276
211 HB3 TRP 28 1HB TRP 28 -1.036 -1.289 6.156
212 HD1 TRP 28 HD TRP 28 1.981 -0.151 4.026
213 HE1 TRP 28 1HE TRP 28 3.964 0.256 5.688
214 HE3 TRP 28 3HE TRP 28 -0.493 -0.797 8.383
215 HZ2 TRP 28 2HZ TRP 28 4.353 0.313 8.482
216 HZ3 TRP 28 3HZ TRP 28 0.695 -0.544 10.502
217 HH2 TRP 28 HH TRP 28 3.089 -0.000 10.554
218 H CYS 29 H CYS 29 -1.427 0.660 3.191
219 HA CYS 29 HA CYS 29 -0.215 0.436 0.577
220 HB2 CYS 29 2HB CYS 29 -2.467 1.523 1.139
221 HB3 CYS 29 1HB CYS 29 -1.531 2.836 1.841
222 H LYS 30 H LYS 30 1.925 0.498 0.692
223 HA LYS 30 HA LYS 30 3.212 2.122 2.687
224 HB2 LYS 30 2HB LYS 30 3.652 -0.305 2.425
225 HB3 LYS 30 1HB LYS 30 4.215 -0.005 0.798
226 HG2 LYS 30 2HG LYS 30 6.094 1.181 1.597
227 HG3 LYS 30 1HG LYS 30 5.477 1.141 3.260
228 HD2 LYS 30 2HD LYS 30 5.600 -1.325 3.238
229 HD3 LYS 30 1HD LYS 30 6.238 -1.278 1.600
230 HE2 LYS 30 2HE LYS 30 7.590 -0.015 3.978
231 HE3 LYS 30 1HE LYS 30 7.935 -1.643 3.411
232 HZ1 LYS 30 1HZ LYS 30 8.661 -0.742 1.319
233 HZ2 LYS 30 2HZ LYS 30 9.512 0.031 2.567
234 HZ3 LYS 30 3HZ LYS 30 8.252 0.814 1.786
235 H TYR 31 H TYR 31 4.495 3.783 2.152
236 HA TYR 31 HA TYR 31 4.206 5.270 -0.175
237 HB2 TYR 31 2HB TYR 31 5.086 6.082 2.009
238 HB3 TYR 31 1HB TYR 31 6.549 5.154 1.694
239 HD1 TYR 31 1HD TYR 31 4.598 8.108 0.662
240 HD2 TYR 31 2HD TYR 31 8.266 5.996 0.283
241 HE1 TYR 31 1HE TYR 31 5.613 10.060 -0.414
242 HE2 TYR 31 2HE TYR 31 9.281 7.933 -0.795
243 HH TYR 31 HH TYR 31 8.500 9.872 -2.080
244 H TYR 32 H TYR 32 5.106 5.079 -2.159
245 HA TYR 32 HA TYR 32 6.938 2.859 -2.543
246 HB2 TYR 32 2HB TYR 32 4.877 2.906 -3.892
247 HB3 TYR 32 1HB TYR 32 5.356 4.459 -4.559
248 HD1 TYR 32 1HD TYR 32 6.893 1.104 -4.089
249 HD2 TYR 32 2HD TYR 32 6.197 4.374 -6.694
250 HE1 TYR 32 1HE TYR 32 8.093 -0.086 -5.885
251 HE2 TYR 32 2HE TYR 32 7.392 3.213 -8.498
252 HH TYR 32 HH TYR 32 9.017 1.474 -8.790
253 H LEU 33 H LEU 33 8.953 3.103 -3.269
254 HA LEU 33 HA LEU 33 9.942 5.819 -3.357
255 HB2 LEU 33 2HB LEU 33 11.388 3.165 -3.245
256 HB3 LEU 33 1HB LEU 33 12.197 4.705 -3.364
257 HG LEU 33 HG LEU 33 12.364 3.995 -1.125
258 HD11 LEU 33 1HD1 LEU 33 10.219 6.078 -1.240
259 HD12 LEU 33 2HD1 LEU 33 11.954 6.345 -1.379
260 HD13 LEU 33 3HD1 LEU 33 11.272 5.751 0.137
261 HD21 LEU 33 1HD2 LEU 33 10.579 2.336 -1.026
262 HD22 LEU 33 2HD2 LEU 33 9.369 3.615 -1.076
263 HD23 LEU 33 3HD2 LEU 33 10.435 3.469 0.319
264 HN1 NH2 34 1H LEU 33 9.151 6.403 -5.322
265 HN2 NH2 34 2H LEU 33 9.745 5.779 -6.825