NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
510954 |
2kyj   |
16963 | 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 H ASP 1 -14.476 -10.169 -2.353
2 HA ASP 1 HA ASP 1 -13.128 -7.593 -1.898
3 HB2 ASP 1 2HB ASP 1 -13.352 -10.103 -0.287
4 HB3 ASP 1 3HB ASP 1 -11.920 -9.095 -0.095
5 H PHE 2 H PHE 2 -10.938 -7.365 -2.282
6 HA PHE 2 HA PHE 2 -9.769 -9.441 -4.003
7 HB2 PHE 2 2HB PHE 2 -9.377 -6.464 -3.838
8 HB3 PHE 2 3HB PHE 2 -8.183 -7.491 -4.622
9 HD1 PHE 2 1HD PHE 2 -11.604 -6.192 -4.783
10 HD2 PHE 2 2HD PHE 2 -8.637 -8.539 -6.733
11 HE1 PHE 2 1HE PHE 2 -12.929 -6.139 -6.855
12 HE2 PHE 2 2HE PHE 2 -9.956 -8.489 -8.809
13 HZ PHE 2 HZ PHE 2 -12.105 -7.287 -8.872
14 HA PRO 3 HA PRO 3 -6.558 -10.356 -1.157
15 HB2 PRO 3 2HB PRO 3 -4.443 -10.753 -2.810
16 HB3 PRO 3 3HB PRO 3 -5.789 -11.892 -2.683
17 HG2 PRO 3 2HG PRO 3 -5.280 -9.782 -4.745
18 HG3 PRO 3 3HG PRO 3 -5.848 -11.447 -4.965
19 HD2 PRO 3 2HD PRO 3 -7.522 -9.320 -5.003
20 HD3 PRO 3 3HD PRO 3 -8.018 -10.916 -4.402
21 H LEU 4 H LEU 4 -4.431 -9.677 -0.353
22 HA LEU 4 HA LEU 4 -4.121 -6.799 -0.599
23 HB2 LEU 4 2HB LEU 4 -2.811 -8.819 1.212
24 HB3 LEU 4 3HB LEU 4 -2.502 -7.085 1.266
25 HG LEU 4 HG LEU 4 -5.272 -8.174 1.649
26 HD11 LEU 4 2HD1 LEU 4 -3.247 -9.005 3.247
27 HD12 LEU 4 3HD1 LEU 4 -4.919 -8.804 3.772
28 HD13 LEU 4 1HD1 LEU 4 -3.741 -7.525 4.066
29 HD21 LEU 4 1HD2 LEU 4 -4.791 -5.959 3.258
30 HD22 LEU 4 2HD2 LEU 4 -5.691 -5.991 1.741
31 HD23 LEU 4 3HD2 LEU 4 -3.972 -5.593 1.739
32 H SER 5 H SER 5 -2.606 -5.827 -1.773
33 HA SER 5 HA SER 5 -0.784 -7.365 -3.354
34 HB2 SER 5 2HB SER 5 -0.588 -4.385 -3.070
35 HB3 SER 5 3HB SER 5 -0.325 -5.388 -4.497
36 HG SER 5 HG SER 5 -2.454 -5.510 -4.829
37 H LYS 6 H LYS 6 1.570 -6.641 -3.501
38 HA LYS 6 HA LYS 6 2.680 -6.668 -0.789
39 HB2 LYS 6 2HB LYS 6 4.615 -7.683 -1.682
40 HB3 LYS 6 3HB LYS 6 3.266 -8.458 -2.504
41 HG2 LYS 6 2HG LYS 6 3.821 -6.389 -4.185
42 HG3 LYS 6 3HG LYS 6 5.425 -6.805 -3.574
43 HD2 LYS 6 2HD LYS 6 3.634 -9.015 -4.443
44 HD3 LYS 6 3HD LYS 6 4.384 -8.012 -5.688
45 HE2 LYS 6 2HE LYS 6 6.585 -8.501 -4.777
46 HE3 LYS 6 3HE LYS 6 5.858 -9.449 -3.481
47 HZ1 LYS 6 2HZ LYS 6 4.926 -10.392 -5.963
48 HZ2 LYS 6 3HZ LYS 6 5.839 -11.210 -4.797
49 HZ3 LYS 6 1HZ LYS 6 6.615 -10.320 -6.009
50 H GLU 7 H GLU 7 5.047 -5.655 -0.843
51 HA GLU 7 HA GLU 7 4.779 -2.910 -0.859
52 HB2 GLU 7 2HB GLU 7 7.158 -2.776 -0.614
53 HB3 GLU 7 3HB GLU 7 6.611 -4.210 0.241
54 HG2 GLU 7 2HG GLU 7 7.166 -5.282 -2.162
55 HG3 GLU 7 3HG GLU 7 8.332 -3.959 -2.130
56 H TYR 8 H TYR 8 5.072 -1.292 -2.307
57 HA TYR 8 HA TYR 8 5.202 -0.240 -4.319
58 HB2 TYR 8 2HB TYR 8 7.048 -2.481 -5.153
59 HB3 TYR 8 3HB TYR 8 6.987 -0.845 -5.801
60 HD1 TYR 8 1HD TYR 8 6.876 0.746 -3.307
61 HD2 TYR 8 2HD TYR 8 9.210 -2.672 -4.296
62 HE1 TYR 8 1HE TYR 8 8.587 1.453 -1.688
63 HE2 TYR 8 2HE TYR 8 10.927 -1.974 -2.677
64 HH TYR 8 HH TYR 8 11.337 0.892 -1.553
65 H GLU 9 H GLU 9 2.916 -1.428 -4.204
66 HA GLU 9 HA GLU 9 2.540 -2.570 -6.873
67 HB2 GLU 9 2HB GLU 9 2.618 -4.302 -4.877
68 HB3 GLU 9 3HB GLU 9 0.968 -3.751 -4.625
69 HG2 GLU 9 2HG GLU 9 1.054 -5.764 -5.996
70 HG3 GLU 9 3HG GLU 9 0.372 -4.399 -6.879
71 H SER 10 H SER 10 0.313 -2.442 -7.628
72 HA SER 10 HA SER 10 -0.826 0.064 -7.271
73 HB2 SER 10 2HB SER 10 -2.436 -2.339 -8.120
74 HB3 SER 10 3HB SER 10 -2.594 -0.668 -8.659
75 HG SER 10 HG SER 10 -1.186 -1.074 -10.151
76 H CYS 11 H CYS 11 -2.606 0.835 -6.147
77 HA CYS 11 HA CYS 11 -3.647 -0.914 -4.017
78 HB2 CYS 11 2HB CYS 11 -1.970 0.757 -3.180
79 HB3 CYS 11 3HB CYS 11 -3.060 2.034 -3.708
80 H VAL 12 H VAL 12 -4.408 0.708 -6.733
81 HA VAL 12 HA VAL 12 -6.572 2.305 -6.343
82 HB VAL 12 HB VAL 12 -6.437 0.133 -8.438
83 HG11 VAL 12 2HG1 VAL 12 -7.639 2.615 -9.261
84 HG12 VAL 12 3HG1 VAL 12 -8.303 0.980 -9.299
85 HG13 VAL 12 1HG1 VAL 12 -8.466 1.963 -7.844
86 HG21 VAL 12 1HG2 VAL 12 -5.579 2.198 -9.794
87 HG22 VAL 12 2HG2 VAL 12 -5.107 2.796 -8.202
88 HG23 VAL 12 3HG2 VAL 12 -4.463 1.265 -8.796
89 H ARG 13 H ARG 13 -8.129 1.994 -4.875
90 HA ARG 13 HA ARG 13 -9.065 -0.291 -3.748
91 HB2 ARG 13 2HB ARG 13 -10.492 2.272 -4.413
92 HB3 ARG 13 3HB ARG 13 -11.310 0.966 -3.565
93 HG2 ARG 13 2HG ARG 13 -9.749 1.092 -1.746
94 HG3 ARG 13 3HG ARG 13 -8.771 2.276 -2.618
95 HD2 ARG 13 2HD ARG 13 -10.255 3.253 -0.864
96 HD3 ARG 13 3HD ARG 13 -10.503 3.913 -2.479
97 HE ARG 13 HE ARG 13 -12.617 3.014 -2.495
98 HH11 ARG 13 1HH1 ARG 13 -10.801 1.686 0.162
99 HH12 ARG 13 2HH1 ARG 13 -12.175 0.918 0.887
100 HH21 ARG 13 1HH2 ARG 13 -14.433 2.008 -1.550
101 HH22 ARG 13 2HH2 ARG 13 -14.240 1.101 -0.089
102 HA PRO 14 HA PRO 14 -11.258 -0.930 -2.972
103 HB2 PRO 14 2HB PRO 14 -11.852 -3.572 -2.772
104 HB3 PRO 14 3HB PRO 14 -13.047 -2.350 -3.225
105 HG2 PRO 14 2HG PRO 14 -11.488 -4.214 -4.972
106 HG3 PRO 14 3HG PRO 14 -13.201 -3.770 -5.061
107 HD2 PRO 14 2HD PRO 14 -11.327 -2.675 -6.680
108 HD3 PRO 14 3HD PRO 14 -12.758 -1.778 -6.135
109 H ARG 15 H ARG 15 -9.007 -2.376 -5.027
110 HA ARG 15 HA ARG 15 -7.598 -4.211 -3.608
111 HB2 ARG 15 2HB ARG 15 -6.341 -1.918 -5.125
112 HB3 ARG 15 3HB ARG 15 -5.594 -3.470 -4.770
113 HG2 ARG 15 2HG ARG 15 -7.259 -4.591 -6.165
114 HG3 ARG 15 3HG ARG 15 -7.999 -3.030 -6.526
115 HD2 ARG 15 2HD ARG 15 -6.330 -2.411 -7.938
116 HD3 ARG 15 3HD ARG 15 -5.095 -3.283 -7.031
117 HE ARG 15 HE ARG 15 -6.578 -5.267 -8.116
118 HH11 ARG 15 1HH1 ARG 15 -5.029 -2.444 -9.438
119 HH12 ARG 15 2HH1 ARG 15 -4.740 -3.167 -10.985
120 HH21 ARG 15 1HH2 ARG 15 -6.205 -6.230 -10.149
121 HH22 ARG 15 2HH2 ARG 15 -5.410 -5.320 -11.390
122 H LYS 16 H LYS 16 -5.848 -4.169 -2.137
123 HA LYS 16 HA LYS 16 -5.422 -1.670 -0.669
124 HB2 LYS 16 2HB LYS 16 -7.191 -3.389 0.341
125 HB3 LYS 16 3HB LYS 16 -5.728 -4.156 0.945
126 HG2 LYS 16 2HG LYS 16 -5.320 -2.518 2.436
127 HG3 LYS 16 3HG LYS 16 -5.924 -1.247 1.371
128 HD2 LYS 16 2HD LYS 16 -8.226 -1.953 1.853
129 HD3 LYS 16 3HD LYS 16 -7.609 -3.204 2.935
130 HE2 LYS 16 2HE LYS 16 -8.328 -1.263 4.205
131 HE3 LYS 16 3HE LYS 16 -6.582 -1.469 4.334
132 HZ1 LYS 16 2HZ LYS 16 -7.920 0.807 3.570
133 HZ2 LYS 16 3HZ LYS 16 -7.254 0.202 2.137
134 HZ3 LYS 16 1HZ LYS 16 -6.255 0.527 3.463
135 H CYS 17 H CYS 17 -3.548 -1.819 0.829
136 HA CYS 17 HA CYS 17 -1.518 -3.668 -0.240
137 HB2 CYS 17 2HB CYS 17 -1.256 -0.826 0.744
138 HB3 CYS 17 3HB CYS 17 0.130 -1.881 0.494
139 H LYS 18 H LYS 18 -0.985 -5.199 1.156
140 HA LYS 18 HA LYS 18 -1.724 -5.381 3.802
141 HB2 LYS 18 2HB LYS 18 -0.900 -7.294 2.545
142 HB3 LYS 18 3HB LYS 18 0.704 -6.577 2.452
143 HG2 LYS 18 2HG LYS 18 1.095 -7.943 4.195
144 HG3 LYS 18 3HG LYS 18 0.391 -6.609 5.112
145 HD2 LYS 18 2HD LYS 18 -0.772 -8.459 5.905
146 HD3 LYS 18 3HD LYS 18 -1.859 -7.809 4.677
147 HE2 LYS 18 2HE LYS 18 -1.271 -9.480 3.127
148 HE3 LYS 18 3HE LYS 18 0.147 -9.959 4.059
149 HZ1 LYS 18 2HZ LYS 18 -1.822 -10.381 5.821
150 HZ2 LYS 18 3HZ LYS 18 -1.206 -11.571 4.789
151 HZ3 LYS 18 1HZ LYS 18 -2.621 -10.740 4.375
152 HA PRO 19 HA PRO 19 0.825 -2.467 5.922
153 HB2 PRO 19 2HB PRO 19 0.506 -3.443 8.434
154 HB3 PRO 19 3HB PRO 19 -0.755 -2.540 7.589
155 HG2 PRO 19 2HG PRO 19 -0.449 -5.499 7.930
156 HG3 PRO 19 3HG PRO 19 -1.910 -4.502 8.062
157 HD2 PRO 19 2HD PRO 19 -1.331 -5.953 5.850
158 HD3 PRO 19 3HD PRO 19 -2.205 -4.409 5.778
159 HA PRO 20 HA PRO 20 1.748 -1.922 8.224
160 HB2 PRO 20 2HB PRO 20 4.088 -0.553 8.365
161 HB3 PRO 20 3HB PRO 20 3.633 -1.800 9.532
162 HG2 PRO 20 2HG PRO 20 5.450 -1.997 7.160
163 HG3 PRO 20 3HG PRO 20 5.664 -2.659 8.791
164 HD2 PRO 20 2HD PRO 20 4.822 -4.168 6.706
165 HD3 PRO 20 3HD PRO 20 4.294 -4.464 8.375
166 H LEU 21 H LEU 21 3.152 -2.429 5.188
167 HA LEU 21 HA LEU 21 3.628 -0.018 4.048
168 HB2 LEU 21 2HB LEU 21 1.875 -2.038 2.685
169 HB3 LEU 21 3HB LEU 21 3.045 -0.939 1.957
170 HG LEU 21 HG LEU 21 3.667 -3.371 3.630
171 HD11 LEU 21 2HD1 LEU 21 3.560 -2.812 0.719
172 HD12 LEU 21 3HD1 LEU 21 3.182 -4.288 1.606
173 HD13 LEU 21 1HD1 LEU 21 4.862 -3.841 1.313
174 HD21 LEU 21 1HD2 LEU 21 5.985 -2.905 3.221
175 HD22 LEU 21 2HD2 LEU 21 5.251 -1.487 3.970
176 HD23 LEU 21 3HD2 LEU 21 5.575 -1.500 2.237
177 H LYS 22 H LYS 22 2.493 1.709 3.277
178 HA LYS 22 HA LYS 22 -0.413 1.720 3.758
179 HB2 LYS 22 2HB LYS 22 1.507 4.010 4.224
180 HB3 LYS 22 3HB LYS 22 -0.238 4.077 4.432
181 HG2 LYS 22 2HG LYS 22 1.617 2.295 5.997
182 HG3 LYS 22 3HG LYS 22 0.979 3.842 6.557
183 HD2 LYS 22 2HD LYS 22 -1.330 2.719 5.955
184 HD3 LYS 22 3HD LYS 22 -0.407 1.232 6.182
185 HE2 LYS 22 2HE LYS 22 -0.397 3.439 8.220
186 HE3 LYS 22 3HE LYS 22 -1.640 2.188 8.209
187 HZ1 LYS 22 2HZ LYS 22 0.570 1.930 9.587
188 HZ2 LYS 22 3HZ LYS 22 1.153 1.329 8.117
189 HZ3 LYS 22 1HZ LYS 22 -0.178 0.598 8.862
190 H CYS 23 H CYS 23 -1.664 3.069 2.378
191 HA CYS 23 HA CYS 23 -0.467 3.376 -0.266
192 HB2 CYS 23 2HB CYS 23 -3.349 3.533 0.642
193 HB3 CYS 23 3HB CYS 23 -2.811 3.682 -1.028
194 H ASN 24 H ASN 24 -0.352 5.292 -1.374
195 HA ASN 24 HA ASN 24 -1.096 7.719 0.122
196 HB2 ASN 24 2HB ASN 24 0.901 8.810 -0.567
197 HB3 ASN 24 3HB ASN 24 1.394 7.226 0.026
198 HD21 ASN 24 1HD2 ASN 24 1.593 5.520 -1.664
199 HD22 ASN 24 2HD2 ASN 24 2.271 5.984 -3.183
200 H LYS 25 H LYS 25 -0.504 9.606 -1.774
201 HA LYS 25 HA LYS 25 -2.777 9.635 -3.380
202 HB2 LYS 25 2HB LYS 25 -1.807 11.561 -4.481
203 HB3 LYS 25 3HB LYS 25 -1.468 11.642 -2.757
204 HG2 LYS 25 2HG LYS 25 0.767 10.454 -3.480
205 HG3 LYS 25 3HG LYS 25 0.382 11.189 -5.038
206 HD2 LYS 25 2HD LYS 25 0.211 13.385 -3.934
207 HD3 LYS 25 3HD LYS 25 0.657 12.633 -2.400
208 HE2 LYS 25 2HE LYS 25 2.742 11.807 -3.684
209 HE3 LYS 25 3HE LYS 25 2.321 13.054 -4.858
210 HZ1 LYS 25 2HZ LYS 25 2.334 13.951 -2.114
211 HZ2 LYS 25 3HZ LYS 25 2.995 14.674 -3.493
212 HZ3 LYS 25 1HZ LYS 25 3.847 13.455 -2.685
213 H ALA 26 H ALA 26 0.317 8.181 -3.909
214 HA ALA 26 HA ALA 26 -0.018 7.897 -6.762
215 HB1 ALA 26 2HB ALA 26 2.044 7.058 -4.776
216 HB2 ALA 26 3HB ALA 26 2.001 6.284 -6.361
217 HB3 ALA 26 1HB ALA 26 2.216 8.031 -6.239
218 H GLN 27 H GLN 27 -1.774 6.616 -4.483
219 HA GLN 27 HA GLN 27 -2.769 4.590 -4.030
220 HB2 GLN 27 2HB GLN 27 -3.644 3.555 -6.233
221 HB3 GLN 27 3HB GLN 27 -4.173 5.174 -5.795
222 HG2 GLN 27 2HG GLN 27 -2.465 6.112 -7.295
223 HG3 GLN 27 3HG GLN 27 -2.014 4.476 -7.770
224 HE21 GLN 27 1HE2 GLN 27 -4.836 6.608 -7.568
225 HE22 GLN 27 2HE2 GLN 27 -5.584 6.043 -9.020
226 H ILE 28 H ILE 28 -0.166 4.146 -3.664
227 HA ILE 28 HA ILE 28 0.189 1.452 -4.761
228 HB ILE 28 HB ILE 28 2.630 1.857 -5.003
229 HG12 ILE 28 2HG1 ILE 28 2.072 4.799 -5.035
230 HG13 ILE 28 3HG1 ILE 28 2.396 4.000 -3.500
231 HG21 ILE 28 1HG2 ILE 28 2.178 2.125 -7.159
232 HG22 ILE 28 2HG2 ILE 28 0.532 2.585 -6.729
233 HG23 ILE 28 3HG2 ILE 28 1.777 3.821 -6.897
234 HD11 ILE 28 2HD1 ILE 28 4.201 4.523 -5.789
235 HD12 ILE 28 3HD1 ILE 28 4.497 4.648 -4.055
236 HD13 ILE 28 1HD1 ILE 28 4.470 3.065 -4.833
237 H CYS 29 H CYS 29 1.983 0.276 -3.552
238 HA CYS 29 HA CYS 29 1.524 0.664 -0.706
239 HB2 CYS 29 2HB CYS 29 3.171 -1.535 -1.940
240 HB3 CYS 29 3HB CYS 29 2.309 -1.543 -0.405
241 H VAL 30 H VAL 30 2.871 1.802 0.505
242 HA VAL 30 HA VAL 30 5.745 1.621 0.054
243 HB VAL 30 HB VAL 30 5.939 4.139 0.316
244 HG11 VAL 30 2HG1 VAL 30 4.607 3.254 -2.236
245 HG12 VAL 30 3HG1 VAL 30 5.812 4.525 -2.025
246 HG13 VAL 30 1HG1 VAL 30 6.268 2.836 -1.809
247 HG21 VAL 30 1HG2 VAL 30 3.337 4.574 -0.933
248 HG22 VAL 30 2HG2 VAL 30 3.230 4.011 0.736
249 HG23 VAL 30 3HG2 VAL 30 4.141 5.472 0.355
250 H ASP 31 H ASP 31 6.690 1.263 1.942
251 HA ASP 31 HA ASP 31 5.443 1.155 4.390
252 HB2 ASP 31 2HB ASP 31 8.358 1.673 3.778
253 HB3 ASP 31 3HB ASP 31 7.744 1.270 5.378
254 HA PRO 32 HA PRO 32 4.898 5.281 5.793
255 HB2 PRO 32 2HB PRO 32 5.025 4.896 8.478
256 HB3 PRO 32 3HB PRO 32 3.642 4.391 7.499
257 HG2 PRO 32 2HG PRO 32 5.940 2.763 8.515
258 HG3 PRO 32 3HG PRO 32 4.214 2.358 8.473
259 HD2 PRO 32 2HD PRO 32 5.975 1.419 6.643
260 HD3 PRO 32 3HD PRO 32 4.279 1.763 6.247
261 H ASN 33 H ASN 33 7.756 3.496 6.485
262 HA ASN 33 HA ASN 33 9.118 5.946 7.388
263 HB2 ASN 33 2HB ASN 33 10.068 3.098 7.743
264 HB3 ASN 33 3HB ASN 33 10.760 4.547 8.467
265 HD21 ASN 33 1HD2 ASN 33 8.997 1.936 9.146
266 HD22 ASN 33 2HD2 ASN 33 8.033 2.533 10.450
267 H LYS 34 H LYS 34 8.510 5.198 4.618
268 HA LYS 34 HA LYS 34 11.059 4.423 3.471
269 HB2 LYS 34 2HB LYS 34 8.958 3.614 2.477
270 HB3 LYS 34 3HB LYS 34 8.484 5.272 2.133
271 HG2 LYS 34 2HG LYS 34 9.324 4.746 0.105
272 HG3 LYS 34 3HG LYS 34 10.829 5.255 0.873
273 HD2 LYS 34 2HD LYS 34 10.092 2.426 1.252
274 HD3 LYS 34 3HD LYS 34 10.504 2.894 -0.399
275 HE2 LYS 34 2HE LYS 34 12.277 3.773 1.826
276 HE3 LYS 34 3HE LYS 34 12.352 2.092 1.300
277 HZ1 LYS 34 2HZ LYS 34 13.169 4.515 -0.099
278 HZ2 LYS 34 3HZ LYS 34 12.475 3.295 -1.043
279 HZ3 LYS 34 1HZ LYS 34 13.855 2.969 -0.119
280 H GLY 35 H GLY 35 9.132 7.319 3.921
281 HA2 GLY 35 2HA GLY 35 10.350 9.422 4.139
282 HA3 GLY 35 3HA GLY 35 11.387 8.882 2.827
283 H TRP 36 H TRP 36 7.879 8.593 2.907
284 HA TRP 36 HA TRP 36 7.768 10.391 0.580
285 HB2 TRP 36 2HB TRP 36 5.746 9.214 -0.085
286 HB3 TRP 36 3HB TRP 36 7.050 8.059 0.172
287 HD1 TRP 36 1HD TRP 36 6.844 6.424 2.295
288 HE1 TRP 36 1HE TRP 36 4.813 5.694 3.696
289 HE3 TRP 36 3HE TRP 36 3.518 10.023 0.840
290 HZ2 TRP 36 2HZ TRP 36 2.152 6.532 4.126
291 HZ3 TRP 36 3HZ TRP 36 1.250 9.987 1.791
292 HH2 TRP 36 2HH TRP 36 0.583 8.276 3.401
Start of MODEL 2
1 H1 ASP 1 H ASP 1 -14.475 -9.529 -1.213
2 HA ASP 1 HA ASP 1 -13.006 -7.140 -1.885
3 HB2 ASP 1 2HB ASP 1 -13.628 -8.065 0.478
4 HB3 ASP 1 3HB ASP 1 -12.181 -9.051 0.277
5 H PHE 2 H PHE 2 -10.702 -7.052 -2.156
6 HA PHE 2 HA PHE 2 -9.683 -9.399 -3.594
7 HB2 PHE 2 2HB PHE 2 -9.208 -6.461 -3.811
8 HB3 PHE 2 3HB PHE 2 -7.906 -7.551 -4.278
9 HD1 PHE 2 1HD PHE 2 -9.062 -9.702 -5.659
10 HD2 PHE 2 2HD PHE 2 -10.313 -5.633 -5.632
11 HE1 PHE 2 1HE PHE 2 -10.113 -10.014 -7.862
12 HE2 PHE 2 2HE PHE 2 -11.366 -5.939 -7.835
13 HZ PHE 2 HZ PHE 2 -11.268 -8.132 -8.952
14 HA PRO 3 HA PRO 3 -6.527 -10.252 -0.672
15 HB2 PRO 3 2HB PRO 3 -4.411 -10.869 -2.256
16 HB3 PRO 3 3HB PRO 3 -5.815 -11.928 -2.071
17 HG2 PRO 3 2HG PRO 3 -5.173 -9.999 -4.269
18 HG3 PRO 3 3HG PRO 3 -5.820 -11.647 -4.380
19 HD2 PRO 3 2HD PRO 3 -7.387 -9.450 -4.598
20 HD3 PRO 3 3HD PRO 3 -7.969 -10.971 -3.892
21 H LEU 4 H LEU 4 -4.404 -9.605 0.142
22 HA LEU 4 HA LEU 4 -3.981 -6.775 -0.203
23 HB2 LEU 4 2HB LEU 4 -2.454 -8.755 1.481
24 HB3 LEU 4 3HB LEU 4 -2.367 -6.997 1.597
25 HG LEU 4 HG LEU 4 -4.854 -8.604 2.169
26 HD11 LEU 4 2HD1 LEU 4 -4.295 -8.776 4.358
27 HD12 LEU 4 3HD1 LEU 4 -3.313 -7.311 4.341
28 HD13 LEU 4 1HD1 LEU 4 -2.669 -8.813 3.676
29 HD21 LEU 4 1HD2 LEU 4 -5.552 -6.510 3.291
30 HD22 LEU 4 2HD2 LEU 4 -5.333 -6.326 1.551
31 HD23 LEU 4 3HD2 LEU 4 -4.102 -5.726 2.663
32 H SER 5 H SER 5 -2.643 -5.897 -1.624
33 HA SER 5 HA SER 5 -0.919 -7.462 -3.257
34 HB2 SER 5 2HB SER 5 -0.734 -4.468 -3.019
35 HB3 SER 5 3HB SER 5 -0.472 -5.481 -4.438
36 HG SER 5 HG SER 5 -2.666 -4.240 -3.804
37 H LYS 6 H LYS 6 1.424 -6.740 -3.596
38 HA LYS 6 HA LYS 6 2.736 -6.770 -0.976
39 HB2 LYS 6 2HB LYS 6 4.593 -7.784 -2.013
40 HB3 LYS 6 3HB LYS 6 3.192 -8.543 -2.756
41 HG2 LYS 6 2HG LYS 6 3.671 -6.416 -4.419
42 HG3 LYS 6 3HG LYS 6 5.295 -6.923 -3.948
43 HD2 LYS 6 2HD LYS 6 3.980 -9.303 -4.459
44 HD3 LYS 6 3HD LYS 6 3.380 -8.213 -5.711
45 HE2 LYS 6 2HE LYS 6 6.287 -8.142 -5.205
46 HE3 LYS 6 3HE LYS 6 5.663 -9.628 -5.921
47 HZ1 LYS 6 2HZ LYS 6 4.511 -8.086 -7.565
48 HZ2 LYS 6 3HZ LYS 6 6.183 -8.279 -7.726
49 HZ3 LYS 6 1HZ LYS 6 5.557 -6.882 -7.006
50 H GLU 7 H GLU 7 5.067 -5.734 -1.155
51 HA GLU 7 HA GLU 7 4.778 -2.988 -1.174
52 HB2 GLU 7 2HB GLU 7 7.211 -2.855 -1.145
53 HB3 GLU 7 3HB GLU 7 6.656 -4.161 -0.106
54 HG2 GLU 7 2HG GLU 7 7.094 -5.248 -2.679
55 HG3 GLU 7 3HG GLU 7 8.493 -4.258 -2.268
56 H TYR 8 H TYR 8 4.977 -1.384 -2.649
57 HA TYR 8 HA TYR 8 5.018 -0.345 -4.672
58 HB2 TYR 8 2HB TYR 8 6.841 -2.585 -5.559
59 HB3 TYR 8 3HB TYR 8 6.732 -0.964 -6.236
60 HD1 TYR 8 2HD TYR 8 6.813 0.774 -3.928
61 HD2 TYR 8 1HD TYR 8 8.951 -2.834 -4.644
62 HE1 TYR 8 2HE TYR 8 8.591 1.533 -2.407
63 HE2 TYR 8 1HE TYR 8 10.734 -2.085 -3.124
64 HH TYR 8 HH TYR 8 10.876 1.140 -1.905
65 H GLU 9 H GLU 9 2.751 -1.580 -4.422
66 HA GLU 9 HA GLU 9 2.263 -2.751 -7.064
67 HB2 GLU 9 2HB GLU 9 2.422 -4.455 -5.070
68 HB3 GLU 9 3HB GLU 9 0.806 -3.871 -4.703
69 HG2 GLU 9 2HG GLU 9 0.723 -5.890 -6.042
70 HG3 GLU 9 3HG GLU 9 0.051 -4.519 -6.923
71 H SER 10 H SER 10 0.067 -2.554 -7.796
72 HA SER 10 HA SER 10 -1.063 -0.064 -7.435
73 HB2 SER 10 2HB SER 10 -2.519 -2.588 -8.256
74 HB3 SER 10 3HB SER 10 -3.041 -0.935 -8.579
75 HG SER 10 HG SER 10 -1.909 -2.001 -10.340
76 H CYS 11 H CYS 11 -2.709 0.782 -6.208
77 HA CYS 11 HA CYS 11 -3.720 -0.916 -4.022
78 HB2 CYS 11 2HB CYS 11 -1.992 0.717 -3.260
79 HB3 CYS 11 3HB CYS 11 -3.035 2.022 -3.813
80 H VAL 12 H VAL 12 -4.522 0.808 -6.711
81 HA VAL 12 HA VAL 12 -6.676 2.385 -6.210
82 HB VAL 12 HB VAL 12 -6.591 0.306 -8.400
83 HG11 VAL 12 2HG1 VAL 12 -8.631 1.105 -8.840
84 HG12 VAL 12 3HG1 VAL 12 -8.428 2.469 -7.740
85 HG13 VAL 12 1HG1 VAL 12 -7.804 2.565 -9.385
86 HG21 VAL 12 1HG2 VAL 12 -5.779 2.498 -9.645
87 HG22 VAL 12 2HG2 VAL 12 -5.188 2.899 -8.033
88 HG23 VAL 12 3HG2 VAL 12 -4.646 1.422 -8.827
89 H ARG 13 H ARG 13 -8.276 2.052 -4.811
90 HA ARG 13 HA ARG 13 -9.176 -0.265 -3.707
91 HB2 ARG 13 2HB ARG 13 -10.564 2.324 -4.303
92 HB3 ARG 13 3HB ARG 13 -11.465 0.992 -3.593
93 HG2 ARG 13 2HG ARG 13 -9.829 0.926 -1.739
94 HG3 ARG 13 3HG ARG 13 -9.039 2.344 -2.433
95 HD2 ARG 13 2HD ARG 13 -10.607 2.901 -0.602
96 HD3 ARG 13 3HD ARG 13 -11.035 3.659 -2.135
97 HE ARG 13 HE ARG 13 -12.387 1.180 -1.778
98 HH11 ARG 13 1HH1 ARG 13 -12.408 4.530 -0.827
99 HH12 ARG 13 2HH1 ARG 13 -14.110 4.562 -0.505
100 HH21 ARG 13 1HH2 ARG 13 -14.628 1.211 -1.357
101 HH22 ARG 13 2HH2 ARG 13 -15.371 2.674 -0.805
102 HA PRO 14 HA PRO 14 -11.392 -0.910 -2.949
103 HB2 PRO 14 2HB PRO 14 -11.984 -3.554 -2.769
104 HB3 PRO 14 3HB PRO 14 -13.176 -2.332 -3.231
105 HG2 PRO 14 2HG PRO 14 -11.592 -4.185 -4.969
106 HG3 PRO 14 3HG PRO 14 -13.305 -3.742 -5.075
107 HD2 PRO 14 2HD PRO 14 -11.413 -2.637 -6.666
108 HD3 PRO 14 3HD PRO 14 -12.853 -1.745 -6.134
109 H ARG 15 H ARG 15 -9.110 -2.334 -4.984
110 HA ARG 15 HA ARG 15 -7.720 -4.171 -3.537
111 HB2 ARG 15 2HB ARG 15 -6.433 -1.904 -5.066
112 HB3 ARG 15 3HB ARG 15 -5.718 -3.471 -4.711
113 HG2 ARG 15 2HG ARG 15 -7.458 -4.542 -6.093
114 HG3 ARG 15 3HG ARG 15 -8.081 -2.943 -6.500
115 HD2 ARG 15 2HD ARG 15 -6.330 -2.457 -7.871
116 HD3 ARG 15 3HD ARG 15 -5.191 -3.425 -6.937
117 HE ARG 15 HE ARG 15 -6.787 -5.296 -8.030
118 HH11 ARG 15 1HH1 ARG 15 -5.086 -2.572 -9.376
119 HH12 ARG 15 2HH1 ARG 15 -4.857 -3.314 -10.924
120 HH21 ARG 15 1HH2 ARG 15 -6.491 -6.284 -10.065
121 HH22 ARG 15 2HH2 ARG 15 -5.657 -5.425 -11.315
122 H LYS 16 H LYS 16 -5.812 -4.031 -2.183
123 HA LYS 16 HA LYS 16 -5.424 -1.541 -0.721
124 HB2 LYS 16 2HB LYS 16 -6.897 -3.812 0.324
125 HB3 LYS 16 3HB LYS 16 -5.486 -3.456 1.311
126 HG2 LYS 16 2HG LYS 16 -6.229 -1.199 1.657
127 HG3 LYS 16 3HG LYS 16 -7.569 -1.427 0.531
128 HD2 LYS 16 2HD LYS 16 -8.828 -2.510 2.054
129 HD3 LYS 16 3HD LYS 16 -7.446 -3.380 2.725
130 HE2 LYS 16 2HE LYS 16 -7.968 -2.020 4.491
131 HE3 LYS 16 3HE LYS 16 -6.812 -0.997 3.641
132 HZ1 LYS 16 2HZ LYS 16 -8.799 0.015 2.507
133 HZ2 LYS 16 3HZ LYS 16 -8.644 0.359 4.156
134 HZ3 LYS 16 1HZ LYS 16 -9.767 -0.794 3.634
135 H CYS 17 H CYS 17 -3.571 -1.722 0.829
136 HA CYS 17 HA CYS 17 -1.570 -3.632 -0.189
137 HB2 CYS 17 2HB CYS 17 -1.239 -0.757 0.671
138 HB3 CYS 17 3HB CYS 17 0.119 -1.855 0.446
139 H LYS 18 H LYS 18 -1.159 -5.133 1.284
140 HA LYS 18 HA LYS 18 -1.859 -5.128 3.945
141 HB2 LYS 18 2HB LYS 18 -1.253 -7.223 3.232
142 HB3 LYS 18 3HB LYS 18 0.135 -6.632 2.326
143 HG2 LYS 18 2HG LYS 18 1.526 -6.714 4.127
144 HG3 LYS 18 3HG LYS 18 0.224 -6.436 5.286
145 HD2 LYS 18 2HD LYS 18 1.181 -8.735 5.369
146 HD3 LYS 18 3HD LYS 18 -0.554 -8.693 5.047
147 HE2 LYS 18 2HE LYS 18 0.730 -10.307 3.635
148 HE3 LYS 18 3HE LYS 18 -0.205 -9.121 2.726
149 HZ1 LYS 18 2HZ LYS 18 2.610 -8.556 3.344
150 HZ2 LYS 18 3HZ LYS 18 1.672 -8.032 2.037
151 HZ3 LYS 18 1HZ LYS 18 2.245 -9.623 2.084
152 HA PRO 19 HA PRO 19 0.893 -2.287 5.897
153 HB2 PRO 19 2HB PRO 19 0.611 -3.161 8.452
154 HB3 PRO 19 3HB PRO 19 -0.635 -2.231 7.612
155 HG2 PRO 19 2HG PRO 19 -0.450 -5.186 8.049
156 HG3 PRO 19 3HG PRO 19 -1.861 -4.121 8.190
157 HD2 PRO 19 2HD PRO 19 -1.417 -5.670 6.015
158 HD3 PRO 19 3HD PRO 19 -2.224 -4.093 5.913
159 HA PRO 20 HA PRO 20 1.921 -1.694 8.134
160 HB2 PRO 20 2HB PRO 20 4.325 -0.432 8.136
161 HB3 PRO 20 3HB PRO 20 3.855 -1.608 9.370
162 HG2 PRO 20 2HG PRO 20 5.575 -1.987 6.949
163 HG3 PRO 20 3HG PRO 20 5.817 -2.590 8.599
164 HD2 PRO 20 2HD PRO 20 4.833 -4.143 6.610
165 HD3 PRO 20 3HD PRO 20 4.352 -4.346 8.306
166 H LEU 21 H LEU 21 3.188 -2.393 5.077
167 HA LEU 21 HA LEU 21 3.727 -0.045 3.825
168 HB2 LEU 21 2HB LEU 21 1.859 -2.039 2.583
169 HB3 LEU 21 3HB LEU 21 3.072 -1.034 1.793
170 HG LEU 21 HG LEU 21 3.614 -3.408 3.576
171 HD11 LEU 21 2HD1 LEU 21 3.523 -3.005 0.621
172 HD12 LEU 21 3HD1 LEU 21 2.928 -4.350 1.593
173 HD13 LEU 21 1HD1 LEU 21 4.658 -4.165 1.309
174 HD21 LEU 21 1HD2 LEU 21 5.297 -1.560 3.709
175 HD22 LEU 21 2HD2 LEU 21 5.576 -1.769 1.979
176 HD23 LEU 21 3HD2 LEU 21 5.929 -3.089 3.096
177 H LYS 22 H LYS 22 2.633 1.691 3.018
178 HA LYS 22 HA LYS 22 -0.256 1.826 3.579
179 HB2 LYS 22 2HB LYS 22 1.805 4.009 3.944
180 HB3 LYS 22 3HB LYS 22 0.067 4.245 4.078
181 HG2 LYS 22 2HG LYS 22 1.084 2.081 5.751
182 HG3 LYS 22 3HG LYS 22 1.757 3.666 6.141
183 HD2 LYS 22 2HD LYS 22 -0.648 4.510 6.114
184 HD3 LYS 22 3HD LYS 22 -1.126 2.811 6.121
185 HE2 LYS 22 2HE LYS 22 -1.081 3.103 8.360
186 HE3 LYS 22 3HE LYS 22 0.642 2.798 8.144
187 HZ1 LYS 22 2HZ LYS 22 1.118 5.079 8.247
188 HZ2 LYS 22 3HZ LYS 22 0.018 4.810 9.503
189 HZ3 LYS 22 1HZ LYS 22 -0.503 5.527 8.062
190 H CYS 23 H CYS 23 -1.465 3.296 2.220
191 HA CYS 23 HA CYS 23 -0.346 3.410 -0.483
192 HB2 CYS 23 2HB CYS 23 -3.196 3.681 0.494
193 HB3 CYS 23 3HB CYS 23 -2.700 3.764 -1.193
194 H ASN 24 H ASN 24 -0.089 5.279 -1.605
195 HA ASN 24 HA ASN 24 -0.753 7.779 -0.192
196 HB2 ASN 24 2HB ASN 24 1.258 8.776 -0.981
197 HB3 ASN 24 3HB ASN 24 1.712 7.197 -0.345
198 HD21 ASN 24 1HD2 ASN 24 1.762 5.423 -1.992
199 HD22 ASN 24 2HD2 ASN 24 2.425 5.808 -3.541
200 H LYS 25 H LYS 25 -0.165 9.588 -2.157
201 HA LYS 25 HA LYS 25 -2.482 9.642 -3.698
202 HB2 LYS 25 2HB LYS 25 -1.389 11.458 -4.966
203 HB3 LYS 25 3HB LYS 25 -1.210 11.656 -3.228
204 HG2 LYS 25 2HG LYS 25 1.060 10.417 -3.622
205 HG3 LYS 25 3HG LYS 25 0.838 10.982 -5.280
206 HD2 LYS 25 2HD LYS 25 2.002 12.748 -4.393
207 HD3 LYS 25 3HD LYS 25 0.345 13.274 -4.083
208 HE2 LYS 25 2HE LYS 25 0.474 12.515 -1.806
209 HE3 LYS 25 3HE LYS 25 2.051 11.781 -2.095
210 HZ1 LYS 25 2HZ LYS 25 1.351 14.585 -1.694
211 HZ2 LYS 25 3HZ LYS 25 2.598 14.259 -2.791
212 HZ3 LYS 25 1HZ LYS 25 2.720 13.728 -1.189
213 H ALA 26 H ALA 26 0.528 8.047 -4.258
214 HA ALA 26 HA ALA 26 0.113 7.703 -7.096
215 HB1 ALA 26 2HB ALA 26 2.071 5.996 -6.652
216 HB2 ALA 26 3HB ALA 26 2.360 7.736 -6.679
217 HB3 ALA 26 1HB ALA 26 2.199 6.891 -5.138
218 H GLN 27 H GLN 27 -1.647 6.564 -4.755
219 HA GLN 27 HA GLN 27 -2.702 4.589 -4.213
220 HB2 GLN 27 2HB GLN 27 -3.694 3.539 -6.347
221 HB3 GLN 27 3HB GLN 27 -4.120 5.201 -5.964
222 HG2 GLN 27 2HG GLN 27 -2.382 5.969 -7.542
223 HG3 GLN 27 3HG GLN 27 -2.076 4.288 -7.974
224 HE21 GLN 27 1HE2 GLN 27 -4.861 6.461 -7.606
225 HE22 GLN 27 2HE2 GLN 27 -5.646 5.980 -9.068
226 H ILE 28 H ILE 28 -0.109 4.049 -3.903
227 HA ILE 28 HA ILE 28 0.105 1.314 -4.932
228 HB ILE 28 HB ILE 28 2.565 1.626 -5.238
229 HG12 ILE 28 2HG1 ILE 28 1.952 4.580 -5.251
230 HG13 ILE 28 3HG1 ILE 28 2.600 3.754 -3.838
231 HG21 ILE 28 1HG2 ILE 28 1.753 1.587 -7.324
232 HG22 ILE 28 2HG2 ILE 28 0.432 2.686 -6.929
233 HG23 ILE 28 3HG2 ILE 28 2.030 3.329 -7.307
234 HD11 ILE 28 2HD1 ILE 28 4.483 2.986 -5.376
235 HD12 ILE 28 3HD1 ILE 28 3.895 4.212 -6.497
236 HD13 ILE 28 1HD1 ILE 28 4.457 4.682 -4.893
237 H CYS 29 H CYS 29 1.938 0.127 -3.753
238 HA CYS 29 HA CYS 29 1.556 0.587 -0.905
239 HB2 CYS 29 2HB CYS 29 3.122 -1.670 -2.146
240 HB3 CYS 29 3HB CYS 29 2.326 -1.626 -0.575
241 H VAL 30 H VAL 30 2.954 1.725 0.246
242 HA VAL 30 HA VAL 30 5.813 1.508 -0.317
243 HB VAL 30 HB VAL 30 6.128 3.953 -0.152
244 HG11 VAL 30 2HG1 VAL 30 5.837 4.311 -2.392
245 HG12 VAL 30 3HG1 VAL 30 5.649 2.557 -2.340
246 HG13 VAL 30 1HG1 VAL 30 4.224 3.594 -2.409
247 HG21 VAL 30 1HG2 VAL 30 4.053 5.357 -0.612
248 HG22 VAL 30 2HG2 VAL 30 3.121 3.944 -0.115
249 HG23 VAL 30 3HG2 VAL 30 4.232 4.710 1.020
250 H ASP 31 H ASP 31 6.934 1.270 1.503
251 HA ASP 31 HA ASP 31 5.732 1.128 4.023
252 HB2 ASP 31 2HB ASP 31 8.673 1.612 3.547
253 HB3 ASP 31 3HB ASP 31 7.923 0.778 4.905
254 HA PRO 32 HA PRO 32 5.526 5.309 5.373
255 HB2 PRO 32 2HB PRO 32 5.554 4.907 8.058
256 HB3 PRO 32 3HB PRO 32 4.150 4.546 7.046
257 HG2 PRO 32 2HG PRO 32 6.249 2.694 8.106
258 HG3 PRO 32 3HG PRO 32 4.492 2.465 8.025
259 HD2 PRO 32 2HD PRO 32 6.190 1.357 6.230
260 HD3 PRO 32 3HD PRO 32 4.547 1.870 5.798
261 H ASN 33 H ASN 33 7.964 3.229 6.904
262 HA ASN 33 HA ASN 33 9.549 5.158 8.093
263 HB2 ASN 33 2HB ASN 33 10.365 2.557 6.783
264 HB3 ASN 33 3HB ASN 33 11.427 3.525 7.801
265 HD21 ASN 33 1HD2 ASN 33 9.119 1.094 7.720
266 HD22 ASN 33 2HD2 ASN 33 8.824 0.965 9.418
267 H LYS 34 H LYS 34 9.242 4.309 4.734
268 HA LYS 34 HA LYS 34 11.581 5.281 3.644
269 HB2 LYS 34 2HB LYS 34 10.495 5.293 1.600
270 HB3 LYS 34 3HB LYS 34 9.487 4.192 2.529
271 HG2 LYS 34 2HG LYS 34 7.952 6.079 3.006
272 HG3 LYS 34 3HG LYS 34 8.928 7.090 1.939
273 HD2 LYS 34 2HD LYS 34 7.838 4.483 0.955
274 HD3 LYS 34 3HD LYS 34 6.803 5.911 1.009
275 HE2 LYS 34 2HE LYS 34 9.491 5.852 -0.349
276 HE3 LYS 34 3HE LYS 34 7.975 5.503 -1.179
277 HZ1 LYS 34 2HZ LYS 34 8.869 7.869 -1.288
278 HZ2 LYS 34 3HZ LYS 34 8.358 8.020 0.318
279 HZ3 LYS 34 1HZ LYS 34 7.234 7.675 -0.898
280 H GLY 35 H GLY 35 8.822 7.053 4.882
281 HA2 GLY 35 2HA GLY 35 8.994 9.265 5.715
282 HA3 GLY 35 3HA GLY 35 10.395 9.517 4.685
283 H TRP 36 H TRP 36 7.162 8.300 3.868
284 HA TRP 36 HA TRP 36 7.010 10.319 1.761
285 HB2 TRP 36 2HB TRP 36 5.321 8.967 0.755
286 HB3 TRP 36 3HB TRP 36 6.590 7.870 1.295
287 HD1 TRP 36 1HD TRP 36 6.035 6.345 3.475
288 HE1 TRP 36 1HE TRP 36 3.786 5.516 4.411
289 HE3 TRP 36 3HE TRP 36 2.904 9.573 1.043
290 HZ2 TRP 36 2HZ TRP 36 1.047 6.146 4.152
291 HZ3 TRP 36 3HZ TRP 36 0.483 9.393 1.443
292 HH2 TRP 36 2HH TRP 36 -0.425 7.714 2.965
Start of MODEL 3
1 H1 ASP 1 H ASP 1 -14.834 -8.780 -1.267
2 HA ASP 1 HA ASP 1 -13.258 -6.931 -2.460
3 HB2 ASP 1 2HB ASP 1 -12.870 -8.463 0.097
4 HB3 ASP 1 3HB ASP 1 -11.698 -7.249 -0.410
5 H PHE 2 H PHE 2 -10.853 -6.811 -2.636
6 HA PHE 2 HA PHE 2 -9.878 -9.205 -4.015
7 HB2 PHE 2 2HB PHE 2 -9.294 -6.285 -4.227
8 HB3 PHE 2 3HB PHE 2 -8.031 -7.424 -4.680
9 HD1 PHE 2 1HD PHE 2 -9.268 -9.533 -6.066
10 HD2 PHE 2 2HD PHE 2 -10.335 -5.413 -6.066
11 HE1 PHE 2 1HE PHE 2 -10.308 -9.806 -8.279
12 HE2 PHE 2 2HE PHE 2 -11.378 -5.680 -8.279
13 HZ PHE 2 HZ PHE 2 -11.366 -7.878 -9.387
14 HA PRO 3 HA PRO 3 -6.795 -10.157 -1.044
15 HB2 PRO 3 2HB PRO 3 -4.681 -10.856 -2.598
16 HB3 PRO 3 3HB PRO 3 -6.123 -11.864 -2.428
17 HG2 PRO 3 2HG PRO 3 -5.385 -9.969 -4.624
18 HG3 PRO 3 3HG PRO 3 -6.088 -11.593 -4.737
19 HD2 PRO 3 2HD PRO 3 -7.573 -9.342 -4.984
20 HD3 PRO 3 3HD PRO 3 -8.219 -10.839 -4.281
21 H LEU 4 H LEU 4 -4.672 -9.576 -0.194
22 HA LEU 4 HA LEU 4 -4.152 -6.768 -0.510
23 HB2 LEU 4 2HB LEU 4 -2.695 -8.842 1.121
24 HB3 LEU 4 3HB LEU 4 -2.488 -7.096 1.249
25 HG LEU 4 HG LEU 4 -5.162 -8.352 1.749
26 HD11 LEU 4 2HD1 LEU 4 -3.510 -7.809 4.107
27 HD12 LEU 4 3HD1 LEU 4 -2.988 -9.192 3.145
28 HD13 LEU 4 1HD1 LEU 4 -4.632 -9.129 3.781
29 HD21 LEU 4 1HD2 LEU 4 -5.719 -6.351 2.664
30 HD22 LEU 4 2HD2 LEU 4 -4.478 -5.784 1.545
31 HD23 LEU 4 3HD2 LEU 4 -4.085 -6.035 3.247
32 H SER 5 H SER 5 -2.134 -5.825 -1.081
33 HA SER 5 HA SER 5 -0.629 -7.452 -3.012
34 HB2 SER 5 2HB SER 5 -0.469 -4.456 -2.856
35 HB3 SER 5 3HB SER 5 -0.192 -5.511 -4.242
36 HG SER 5 HG SER 5 -2.292 -4.247 -3.999
37 H LYS 6 H LYS 6 1.710 -6.851 -3.243
38 HA LYS 6 HA LYS 6 2.925 -6.831 -0.598
39 HB2 LYS 6 2HB LYS 6 4.905 -7.631 -1.652
40 HB3 LYS 6 3HB LYS 6 3.559 -8.498 -2.382
41 HG2 LYS 6 2HG LYS 6 3.825 -7.492 -4.407
42 HG3 LYS 6 3HG LYS 6 4.499 -6.016 -3.711
43 HD2 LYS 6 2HD LYS 6 6.189 -7.278 -4.957
44 HD3 LYS 6 3HD LYS 6 6.590 -7.179 -3.241
45 HE2 LYS 6 2HE LYS 6 6.996 -9.421 -4.101
46 HE3 LYS 6 3HE LYS 6 5.702 -9.432 -2.904
47 HZ1 LYS 6 2HZ LYS 6 5.197 -9.325 -5.822
48 HZ2 LYS 6 3HZ LYS 6 4.083 -9.645 -4.590
49 HZ3 LYS 6 1HZ LYS 6 5.287 -10.776 -4.958
50 H GLU 7 H GLU 7 5.462 -5.812 -1.358
51 HA GLU 7 HA GLU 7 4.995 -3.026 -0.963
52 HB2 GLU 7 2HB GLU 7 7.445 -2.825 -1.023
53 HB3 GLU 7 3HB GLU 7 6.924 -4.126 0.039
54 HG2 GLU 7 2HG GLU 7 7.273 -5.402 -2.367
55 HG3 GLU 7 3HG GLU 7 8.573 -4.212 -2.352
56 H TYR 8 H TYR 8 5.310 -1.314 -2.343
57 HA TYR 8 HA TYR 8 5.231 -0.188 -4.320
58 HB2 TYR 8 2HB TYR 8 7.071 -2.337 -5.376
59 HB3 TYR 8 3HB TYR 8 6.950 -0.663 -5.909
60 HD1 TYR 8 2HD TYR 8 7.076 0.898 -3.505
61 HD2 TYR 8 1HD TYR 8 9.160 -2.687 -4.458
62 HE1 TYR 8 2HE TYR 8 8.865 1.529 -1.940
63 HE2 TYR 8 1HE TYR 8 10.954 -2.067 -2.894
64 HH TYR 8 HH TYR 8 11.861 0.123 -1.908
65 H GLU 9 H GLU 9 3.016 -1.602 -4.047
66 HA GLU 9 HA GLU 9 2.548 -2.717 -6.731
67 HB2 GLU 9 2HB GLU 9 2.511 -4.246 -4.492
68 HB3 GLU 9 3HB GLU 9 0.834 -3.724 -4.546
69 HG2 GLU 9 2HG GLU 9 1.215 -5.879 -5.669
70 HG3 GLU 9 3HG GLU 9 0.559 -4.646 -6.745
71 H SER 10 H SER 10 0.254 -2.618 -7.404
72 HA SER 10 HA SER 10 -0.762 -0.017 -7.181
73 HB2 SER 10 2HB SER 10 -1.192 -1.969 -8.935
74 HB3 SER 10 3HB SER 10 -2.607 -2.245 -7.919
75 HG SER 10 HG SER 10 -1.974 -0.070 -9.548
76 H CYS 11 H CYS 11 -2.547 0.835 -6.111
77 HA CYS 11 HA CYS 11 -3.628 -0.803 -3.914
78 HB2 CYS 11 2HB CYS 11 -1.939 0.889 -3.145
79 HB3 CYS 11 3HB CYS 11 -3.011 2.152 -3.743
80 H VAL 12 H VAL 12 -4.339 0.747 -6.702
81 HA VAL 12 HA VAL 12 -6.512 2.354 -6.367
82 HB VAL 12 HB VAL 12 -6.275 0.169 -8.441
83 HG11 VAL 12 2HG1 VAL 12 -7.579 2.360 -9.538
84 HG12 VAL 12 3HG1 VAL 12 -8.310 0.825 -9.065
85 HG13 VAL 12 1HG1 VAL 12 -8.294 2.180 -7.935
86 HG21 VAL 12 1HG2 VAL 12 -5.086 2.890 -8.191
87 HG22 VAL 12 2HG2 VAL 12 -4.367 1.399 -8.798
88 HG23 VAL 12 3HG2 VAL 12 -5.520 2.289 -9.791
89 H ARG 13 H ARG 13 -8.088 2.046 -4.916
90 HA ARG 13 HA ARG 13 -9.040 -0.239 -3.800
91 HB2 ARG 13 2HB ARG 13 -10.305 2.396 -4.396
92 HB3 ARG 13 3HB ARG 13 -11.333 1.094 -3.812
93 HG2 ARG 13 2HG ARG 13 -9.632 0.855 -1.915
94 HG3 ARG 13 3HG ARG 13 -9.042 2.437 -2.429
95 HD2 ARG 13 2HD ARG 13 -11.889 1.811 -1.651
96 HD3 ARG 13 3HD ARG 13 -10.696 2.573 -0.600
97 HE ARG 13 HE ARG 13 -12.163 3.809 -2.740
98 HH11 ARG 13 1HH1 ARG 13 -9.289 3.948 -0.782
99 HH12 ARG 13 2HH1 ARG 13 -9.051 5.647 -1.019
100 HH21 ARG 13 1HH2 ARG 13 -11.861 6.047 -3.061
101 HH22 ARG 13 2HH2 ARG 13 -10.516 6.841 -2.316
102 HA PRO 14 HA PRO 14 -11.266 -0.850 -3.057
103 HB2 PRO 14 2HB PRO 14 -11.891 -3.484 -2.853
104 HB3 PRO 14 3HB PRO 14 -13.063 -2.253 -3.337
105 HG2 PRO 14 2HG PRO 14 -11.488 -4.144 -5.042
106 HG3 PRO 14 3HG PRO 14 -13.195 -3.682 -5.167
107 HD2 PRO 14 2HD PRO 14 -11.278 -2.617 -6.754
108 HD3 PRO 14 3HD PRO 14 -12.712 -1.703 -6.244
109 H ARG 15 H ARG 15 -8.976 -2.302 -5.055
110 HA ARG 15 HA ARG 15 -7.614 -4.156 -3.621
111 HB2 ARG 15 2HB ARG 15 -6.318 -1.844 -5.078
112 HB3 ARG 15 3HB ARG 15 -5.568 -3.390 -4.706
113 HG2 ARG 15 2HG ARG 15 -7.160 -4.524 -6.163
114 HG3 ARG 15 3HG ARG 15 -7.932 -2.979 -6.525
115 HD2 ARG 15 2HD ARG 15 -6.221 -2.278 -7.860
116 HD3 ARG 15 3HD ARG 15 -5.007 -3.193 -6.967
117 HE ARG 15 HE ARG 15 -6.475 -5.125 -8.153
118 HH11 ARG 15 1HH1 ARG 15 -4.913 -2.251 -9.344
119 HH12 ARG 15 2HH1 ARG 15 -4.608 -2.910 -10.916
120 HH21 ARG 15 1HH2 ARG 15 -6.080 -6.005 -10.220
121 HH22 ARG 15 2HH2 ARG 15 -5.273 -5.046 -11.415
122 H LYS 16 H LYS 16 -5.833 -4.107 -2.149
123 HA LYS 16 HA LYS 16 -5.457 -1.644 -0.623
124 HB2 LYS 16 2HB LYS 16 -6.605 -4.199 0.431
125 HB3 LYS 16 3HB LYS 16 -5.596 -3.213 1.481
126 HG2 LYS 16 2HG LYS 16 -7.849 -1.926 0.021
127 HG3 LYS 16 3HG LYS 16 -8.192 -2.913 1.443
128 HD2 LYS 16 2HD LYS 16 -6.037 -0.865 1.619
129 HD3 LYS 16 3HD LYS 16 -7.717 -0.324 1.647
130 HE2 LYS 16 2HE LYS 16 -6.682 -2.496 3.452
131 HE3 LYS 16 3HE LYS 16 -6.622 -0.790 3.893
132 HZ1 LYS 16 2HZ LYS 16 -8.922 -2.572 3.674
133 HZ2 LYS 16 3HZ LYS 16 -9.155 -0.961 3.213
134 HZ3 LYS 16 1HZ LYS 16 -8.621 -1.326 4.777
135 H CYS 17 H CYS 17 -3.577 -1.706 0.780
136 HA CYS 17 HA CYS 17 -1.566 -3.633 -0.175
137 HB2 CYS 17 2HB CYS 17 -1.259 -0.783 0.779
138 HB3 CYS 17 3HB CYS 17 0.101 -1.865 0.494
139 H LYS 18 H LYS 18 -1.215 -5.174 1.277
140 HA LYS 18 HA LYS 18 -1.931 -5.197 3.936
141 HB2 LYS 18 2HB LYS 18 -1.323 -7.242 2.854
142 HB3 LYS 18 3HB LYS 18 0.299 -6.651 2.513
143 HG2 LYS 18 2HG LYS 18 0.615 -6.536 5.035
144 HG3 LYS 18 3HG LYS 18 -0.864 -7.493 5.146
145 HD2 LYS 18 2HD LYS 18 1.517 -8.320 3.496
146 HD3 LYS 18 3HD LYS 18 1.296 -8.799 5.181
147 HE2 LYS 18 2HE LYS 18 -0.771 -9.918 4.634
148 HE3 LYS 18 3HE LYS 18 -0.683 -9.340 2.970
149 HZ1 LYS 18 2HZ LYS 18 1.349 -11.112 4.208
150 HZ2 LYS 18 3HZ LYS 18 1.223 -10.683 2.576
151 HZ3 LYS 18 1HZ LYS 18 0.049 -11.674 3.284
152 HA PRO 19 HA PRO 19 0.874 -2.466 5.961
153 HB2 PRO 19 2HB PRO 19 0.605 -3.416 8.490
154 HB3 PRO 19 3HB PRO 19 -0.639 -2.446 7.690
155 HG2 PRO 19 2HG PRO 19 -0.482 -5.416 8.035
156 HG3 PRO 19 3HG PRO 19 -1.879 -4.340 8.220
157 HD2 PRO 19 2HD PRO 19 -1.470 -5.827 5.994
158 HD3 PRO 19 3HD PRO 19 -2.261 -4.238 5.949
159 HA PRO 20 HA PRO 20 1.920 -1.962 8.218
160 HB2 PRO 20 2HB PRO 20 4.337 -0.724 8.251
161 HB3 PRO 20 3HB PRO 20 3.863 -1.938 9.445
162 HG2 PRO 20 2HG PRO 20 5.565 -2.247 7.002
163 HG3 PRO 20 3HG PRO 20 5.810 -2.912 8.628
164 HD2 PRO 20 2HD PRO 20 4.801 -4.381 6.589
165 HD3 PRO 20 3HD PRO 20 4.326 -4.641 8.281
166 H LEU 21 H LEU 21 3.172 -2.558 5.131
167 HA LEU 21 HA LEU 21 3.721 -0.168 3.966
168 HB2 LEU 21 2HB LEU 21 1.852 -2.128 2.667
169 HB3 LEU 21 3HB LEU 21 3.036 -1.074 1.897
170 HG LEU 21 HG LEU 21 3.647 -3.501 3.584
171 HD11 LEU 21 2HD1 LEU 21 3.575 -2.992 0.634
172 HD12 LEU 21 3HD1 LEU 21 2.885 -4.330 1.552
173 HD13 LEU 21 1HD1 LEU 21 4.631 -4.227 1.317
174 HD21 LEU 21 1HD2 LEU 21 5.835 -2.527 2.017
175 HD22 LEU 21 2HD2 LEU 21 5.735 -2.774 3.760
176 HD23 LEU 21 3HD2 LEU 21 5.230 -1.237 3.055
177 H LYS 22 H LYS 22 2.636 1.605 3.240
178 HA LYS 22 HA LYS 22 -0.256 1.725 3.790
179 HB2 LYS 22 2HB LYS 22 1.754 3.944 4.214
180 HB3 LYS 22 3HB LYS 22 0.020 4.063 4.478
181 HG2 LYS 22 2HG LYS 22 1.893 2.245 5.980
182 HG3 LYS 22 3HG LYS 22 1.257 3.783 6.569
183 HD2 LYS 22 2HD LYS 22 -1.060 2.690 6.046
184 HD3 LYS 22 3HD LYS 22 -0.150 1.180 6.143
185 HE2 LYS 22 2HE LYS 22 -0.344 3.299 8.283
186 HE3 LYS 22 3HE LYS 22 -1.141 1.726 8.295
187 HZ1 LYS 22 2HZ LYS 22 1.419 1.029 7.949
188 HZ2 LYS 22 3HZ LYS 22 0.660 1.120 9.457
189 HZ3 LYS 22 1HZ LYS 22 1.603 2.411 8.904
190 H CYS 23 H CYS 23 -1.491 3.111 2.440
191 HA CYS 23 HA CYS 23 -0.342 3.392 -0.229
192 HB2 CYS 23 2HB CYS 23 -3.188 3.608 0.769
193 HB3 CYS 23 3HB CYS 23 -2.709 3.824 -0.911
194 H ASN 24 H ASN 24 -0.267 5.314 -1.366
195 HA ASN 24 HA ASN 24 -0.865 7.758 0.165
196 HB2 ASN 24 2HB ASN 24 1.155 8.784 -0.553
197 HB3 ASN 24 3HB ASN 24 1.607 7.181 0.022
198 HD21 ASN 24 1HD2 ASN 24 1.705 5.479 -1.688
199 HD22 ASN 24 2HD2 ASN 24 2.376 5.931 -3.214
200 H LYS 25 H LYS 25 -0.249 9.631 -1.735
201 HA LYS 25 HA LYS 25 -2.546 9.733 -3.304
202 HB2 LYS 25 2HB LYS 25 0.090 11.148 -3.745
203 HB3 LYS 25 3HB LYS 25 -1.436 11.590 -4.498
204 HG2 LYS 25 2HG LYS 25 -1.171 11.488 -1.519
205 HG3 LYS 25 3HG LYS 25 -0.640 12.901 -2.434
206 HD2 LYS 25 2HD LYS 25 -2.807 13.354 -3.207
207 HD3 LYS 25 3HD LYS 25 -3.386 11.739 -2.792
208 HE2 LYS 25 2HE LYS 25 -3.086 12.283 -0.403
209 HE3 LYS 25 3HE LYS 25 -2.594 13.915 -0.857
210 HZ1 LYS 25 2HZ LYS 25 -5.250 12.660 -1.279
211 HZ2 LYS 25 3HZ LYS 25 -4.798 14.146 -1.950
212 HZ3 LYS 25 1HZ LYS 25 -4.883 13.967 -0.270
213 H ALA 26 H ALA 26 0.489 8.181 -3.884
214 HA ALA 26 HA ALA 26 0.101 7.920 -6.733
215 HB1 ALA 26 2HB ALA 26 2.344 7.961 -6.286
216 HB2 ALA 26 3HB ALA 26 2.175 7.056 -4.782
217 HB3 ALA 26 1HB ALA 26 2.070 6.218 -6.331
218 H GLN 27 H GLN 27 -1.660 6.688 -4.435
219 HA GLN 27 HA GLN 27 -2.709 4.691 -3.970
220 HB2 GLN 27 2HB GLN 27 -3.649 3.692 -6.165
221 HB3 GLN 27 3HB GLN 27 -4.126 5.321 -5.707
222 HG2 GLN 27 2HG GLN 27 -2.416 6.223 -7.229
223 HG3 GLN 27 3HG GLN 27 -2.021 4.578 -7.724
224 HE21 GLN 27 1HE2 GLN 27 -4.810 6.747 -7.422
225 HE22 GLN 27 2HE2 GLN 27 -5.585 6.233 -8.877
226 H ILE 28 H ILE 28 -0.106 4.173 -3.659
227 HA ILE 28 HA ILE 28 0.143 1.469 -4.768
228 HB ILE 28 HB ILE 28 2.594 1.804 -5.047
229 HG12 ILE 28 2HG1 ILE 28 2.023 4.761 -4.970
230 HG13 ILE 28 3HG1 ILE 28 2.565 3.890 -3.539
231 HG21 ILE 28 1HG2 ILE 28 1.765 3.783 -6.936
232 HG22 ILE 28 2HG2 ILE 28 2.114 2.075 -7.195
233 HG23 ILE 28 3HG2 ILE 28 0.487 2.582 -6.742
234 HD11 ILE 28 2HD1 ILE 28 4.031 4.385 -6.098
235 HD12 ILE 28 3HD1 ILE 28 4.504 4.792 -4.449
236 HD13 ILE 28 1HD1 ILE 28 4.520 3.110 -4.981
237 H CYS 29 H CYS 29 1.927 0.238 -3.595
238 HA CYS 29 HA CYS 29 1.531 0.629 -0.741
239 HB2 CYS 29 2HB CYS 29 3.082 -1.617 -2.013
240 HB3 CYS 29 3HB CYS 29 2.253 -1.602 -0.460
241 H VAL 30 H VAL 30 2.936 1.720 0.448
242 HA VAL 30 HA VAL 30 5.793 1.453 -0.063
243 HB VAL 30 HB VAL 30 6.067 3.963 0.216
244 HG11 VAL 30 2HG1 VAL 30 4.771 2.860 -2.273
245 HG12 VAL 30 3HG1 VAL 30 5.611 4.409 -2.186
246 HG13 VAL 30 1HG1 VAL 30 6.496 2.910 -1.901
247 HG21 VAL 30 1HG2 VAL 30 4.139 5.329 -0.537
248 HG22 VAL 30 2HG2 VAL 30 3.128 3.886 -0.459
249 HG23 VAL 30 3HG2 VAL 30 3.865 4.528 1.010
250 H ASP 31 H ASP 31 6.760 1.040 1.803
251 HA ASP 31 HA ASP 31 5.561 0.957 4.276
252 HB2 ASP 31 2HB ASP 31 8.497 1.511 3.805
253 HB3 ASP 31 3HB ASP 31 7.776 0.766 5.228
254 HA PRO 32 HA PRO 32 5.198 5.087 5.727
255 HB2 PRO 32 2HB PRO 32 5.382 4.674 8.404
256 HB3 PRO 32 3HB PRO 32 3.958 4.225 7.458
257 HG2 PRO 32 2HG PRO 32 6.224 2.511 8.402
258 HG3 PRO 32 3HG PRO 32 4.485 2.166 8.403
259 HD2 PRO 32 2HD PRO 32 6.164 1.184 6.520
260 HD3 PRO 32 3HD PRO 32 4.471 1.587 6.171
261 H ASN 33 H ASN 33 8.027 3.235 6.196
262 HA ASN 33 HA ASN 33 9.498 5.314 7.574
263 HB2 ASN 33 2HB ASN 33 10.775 2.914 6.301
264 HB3 ASN 33 3HB ASN 33 11.249 3.782 7.759
265 HD21 ASN 33 1HD2 ASN 33 8.977 3.870 9.203
266 HD22 ASN 33 2HD2 ASN 33 8.459 2.274 9.614
267 H LYS 34 H LYS 34 8.887 4.302 4.335
268 HA LYS 34 HA LYS 34 11.112 5.173 2.956
269 HB2 LYS 34 2HB LYS 34 8.440 4.452 2.325
270 HB3 LYS 34 3HB LYS 34 8.779 5.966 1.499
271 HG2 LYS 34 2HG LYS 34 10.991 4.708 0.819
272 HG3 LYS 34 3HG LYS 34 9.996 3.282 1.125
273 HD2 LYS 34 2HD LYS 34 8.383 3.971 -0.496
274 HD3 LYS 34 3HD LYS 34 9.150 5.552 -0.671
275 HE2 LYS 34 2HE LYS 34 10.450 2.923 -1.375
276 HE3 LYS 34 3HE LYS 34 9.652 3.986 -2.532
277 HZ1 LYS 34 2HZ LYS 34 11.869 4.569 -2.700
278 HZ2 LYS 34 3HZ LYS 34 12.154 4.434 -1.037
279 HZ3 LYS 34 1HZ LYS 34 11.268 5.743 -1.640
280 H GLY 35 H GLY 35 8.293 7.080 3.984
281 HA2 GLY 35 2HA GLY 35 8.498 9.324 4.764
282 HA3 GLY 35 3HA GLY 35 9.972 9.484 3.819
283 H TRP 36 H TRP 36 7.384 7.950 2.208
284 HA TRP 36 HA TRP 36 7.278 9.718 0.092
285 HB2 TRP 36 2HB TRP 36 4.995 8.702 -0.358
286 HB3 TRP 36 3HB TRP 36 6.327 7.561 -0.194
287 HD1 TRP 36 1HD TRP 36 6.278 5.904 1.873
288 HE1 TRP 36 1HE TRP 36 4.439 5.269 3.558
289 HE3 TRP 36 3HE TRP 36 2.978 9.696 0.939
290 HZ2 TRP 36 2HZ TRP 36 1.922 6.246 4.382
291 HZ3 TRP 36 3HZ TRP 36 0.879 9.773 2.220
292 HH2 TRP 36 2HH TRP 36 0.363 8.082 3.904
Start of MODEL 4
1 H1 ASP 1 H ASP 1 -14.023 -8.333 -0.691
2 HA ASP 1 HA ASP 1 -12.843 -6.207 -2.294
3 HB2 ASP 1 2HB ASP 1 -11.418 -5.826 -0.289
4 HB3 ASP 1 3HB ASP 1 -13.143 -5.739 0.062
5 H PHE 2 H PHE 2 -10.935 -6.329 -3.336
6 HA PHE 2 HA PHE 2 -9.844 -8.825 -4.005
7 HB2 PHE 2 2HB PHE 2 -8.991 -5.985 -4.408
8 HB3 PHE 2 3HB PHE 2 -7.856 -7.280 -4.779
9 HD1 PHE 2 1HD PHE 2 -9.148 -9.303 -6.117
10 HD2 PHE 2 2HD PHE 2 -10.097 -5.155 -6.224
11 HE1 PHE 2 1HE PHE 2 -10.211 -9.607 -8.315
12 HE2 PHE 2 2HE PHE 2 -11.162 -5.451 -8.421
13 HZ PHE 2 HZ PHE 2 -11.221 -7.679 -9.469
14 HA PRO 3 HA PRO 3 -6.927 -9.765 -0.866
15 HB2 PRO 3 2HB PRO 3 -4.844 -10.765 -2.291
16 HB3 PRO 3 3HB PRO 3 -6.369 -11.634 -2.080
17 HG2 PRO 3 2HG PRO 3 -5.423 -10.002 -4.405
18 HG3 PRO 3 3HG PRO 3 -6.257 -11.567 -4.402
19 HD2 PRO 3 2HD PRO 3 -7.542 -9.233 -4.884
20 HD3 PRO 3 3HD PRO 3 -8.327 -10.605 -4.077
21 H LEU 4 H LEU 4 -4.798 -9.275 0.007
22 HA LEU 4 HA LEU 4 -4.073 -6.560 -0.389
23 HB2 LEU 4 2HB LEU 4 -2.565 -8.710 1.090
24 HB3 LEU 4 3HB LEU 4 -2.344 -6.970 1.260
25 HG LEU 4 HG LEU 4 -4.974 -8.260 1.902
26 HD11 LEU 4 2HD1 LEU 4 -3.274 -7.730 4.197
27 HD12 LEU 4 3HD1 LEU 4 -2.636 -9.003 3.157
28 HD13 LEU 4 1HD1 LEU 4 -4.265 -9.139 3.821
29 HD21 LEU 4 1HD2 LEU 4 -5.356 -6.031 2.016
30 HD22 LEU 4 2HD2 LEU 4 -3.659 -5.642 2.303
31 HD23 LEU 4 3HD2 LEU 4 -4.664 -6.237 3.625
32 H SER 5 H SER 5 -1.967 -5.752 -0.993
33 HA SER 5 HA SER 5 -0.666 -7.445 -3.023
34 HB2 SER 5 2HB SER 5 -0.578 -4.432 -3.003
35 HB3 SER 5 3HB SER 5 -0.247 -5.530 -4.343
36 HG SER 5 HG SER 5 -2.265 -4.814 -4.728
37 H LYS 6 H LYS 6 1.629 -7.159 -3.323
38 HA LYS 6 HA LYS 6 3.027 -7.020 -0.831
39 HB2 LYS 6 2HB LYS 6 3.488 -8.163 -3.346
40 HB3 LYS 6 3HB LYS 6 4.759 -6.964 -3.150
41 HG2 LYS 6 2HG LYS 6 5.325 -7.987 -0.967
42 HG3 LYS 6 3HG LYS 6 4.123 -9.241 -1.285
43 HD2 LYS 6 2HD LYS 6 6.071 -10.253 -2.010
44 HD3 LYS 6 3HD LYS 6 5.446 -9.559 -3.508
45 HE2 LYS 6 2HE LYS 6 7.005 -7.824 -3.493
46 HE3 LYS 6 3HE LYS 6 7.355 -8.029 -1.777
47 HZ1 LYS 6 2HZ LYS 6 9.146 -9.107 -2.547
48 HZ2 LYS 6 3HZ LYS 6 8.466 -9.408 -4.067
49 HZ3 LYS 6 1HZ LYS 6 8.084 -10.408 -2.756
50 H GLU 7 H GLU 7 5.437 -5.854 -1.440
51 HA GLU 7 HA GLU 7 4.833 -3.089 -1.051
52 HB2 GLU 7 2HB GLU 7 7.192 -2.777 -0.774
53 HB3 GLU 7 3HB GLU 7 6.754 -4.285 0.016
54 HG2 GLU 7 2HG GLU 7 7.416 -5.228 -2.401
55 HG3 GLU 7 3HG GLU 7 8.448 -3.801 -2.347
56 H TYR 8 H TYR 8 5.075 -1.377 -2.416
57 HA TYR 8 HA TYR 8 5.212 -0.217 -4.367
58 HB2 TYR 8 2HB TYR 8 7.021 -2.436 -5.333
59 HB3 TYR 8 3HB TYR 8 6.939 -0.787 -5.946
60 HD1 TYR 8 1HD TYR 8 6.960 0.818 -3.509
61 HD2 TYR 8 2HD TYR 8 9.153 -2.704 -4.456
62 HE1 TYR 8 1HE TYR 8 8.720 1.495 -1.930
63 HE2 TYR 8 2HE TYR 8 10.917 -2.037 -2.878
64 HH TYR 8 HH TYR 8 11.746 -0.244 -1.694
65 H GLU 9 H GLU 9 3.011 -1.851 -4.058
66 HA GLU 9 HA GLU 9 2.568 -2.876 -6.785
67 HB2 GLU 9 2HB GLU 9 2.145 -4.120 -4.266
68 HB3 GLU 9 3HB GLU 9 0.566 -3.817 -4.976
69 HG2 GLU 9 2HG GLU 9 1.588 -6.047 -5.495
70 HG3 GLU 9 3HG GLU 9 1.065 -5.102 -6.888
71 H SER 10 H SER 10 -0.111 -3.054 -6.890
72 HA SER 10 HA SER 10 -0.892 -0.273 -7.054
73 HB2 SER 10 2HB SER 10 -2.423 -2.771 -7.821
74 HB3 SER 10 3HB SER 10 -2.872 -1.116 -8.233
75 HG SER 10 HG SER 10 -1.188 -0.986 -9.609
76 H CYS 11 H CYS 11 -2.613 0.691 -5.995
77 HA CYS 11 HA CYS 11 -3.729 -0.819 -3.722
78 HB2 CYS 11 2HB CYS 11 -2.028 0.899 -3.057
79 HB3 CYS 11 3HB CYS 11 -3.082 2.135 -3.737
80 H VAL 12 H VAL 12 -4.411 0.680 -6.583
81 HA VAL 12 HA VAL 12 -6.608 2.263 -6.280
82 HB VAL 12 HB VAL 12 -6.369 0.075 -8.348
83 HG11 VAL 12 2HG1 VAL 12 -7.795 1.461 -9.717
84 HG12 VAL 12 3HG1 VAL 12 -8.596 1.137 -8.179
85 HG13 VAL 12 1HG1 VAL 12 -7.840 2.705 -8.465
86 HG21 VAL 12 1HG2 VAL 12 -5.066 2.741 -8.076
87 HG22 VAL 12 2HG2 VAL 12 -4.405 1.219 -8.674
88 HG23 VAL 12 3HG2 VAL 12 -5.501 2.161 -9.684
89 H ARG 13 H ARG 13 -8.175 1.923 -4.822
90 HA ARG 13 HA ARG 13 -9.121 -0.373 -3.734
91 HB2 ARG 13 2HB ARG 13 -10.499 2.210 -4.388
92 HB3 ARG 13 3HB ARG 13 -11.402 0.888 -3.661
93 HG2 ARG 13 2HG ARG 13 -9.707 0.862 -1.818
94 HG3 ARG 13 3HG ARG 13 -9.034 2.338 -2.512
95 HD2 ARG 13 2HD ARG 13 -10.475 3.201 -0.941
96 HD3 ARG 13 3HD ARG 13 -11.504 3.179 -2.373
97 HE ARG 13 HE ARG 13 -11.772 0.756 -0.946
98 HH11 ARG 13 1HH1 ARG 13 -12.637 4.126 -0.789
99 HH12 ARG 13 2HH1 ARG 13 -14.068 3.848 0.147
100 HH21 ARG 13 1HH2 ARG 13 -13.654 0.380 0.286
101 HH22 ARG 13 2HH2 ARG 13 -14.646 1.717 0.758
102 HA PRO 14 HA PRO 14 -11.317 -1.047 -3.010
103 HB2 PRO 14 2HB PRO 14 -11.880 -3.697 -2.842
104 HB3 PRO 14 3HB PRO 14 -13.081 -2.489 -3.311
105 HG2 PRO 14 2HG PRO 14 -11.462 -4.319 -5.040
106 HG3 PRO 14 3HG PRO 14 -13.179 -3.894 -5.160
107 HD2 PRO 14 2HD PRO 14 -11.287 -2.764 -6.731
108 HD3 PRO 14 3HD PRO 14 -12.741 -1.889 -6.209
109 H ARG 15 H ARG 15 -8.991 -2.412 -5.023
110 HA ARG 15 HA ARG 15 -7.588 -4.255 -3.609
111 HB2 ARG 15 2HB ARG 15 -6.352 -1.902 -5.052
112 HB3 ARG 15 3HB ARG 15 -5.559 -3.429 -4.687
113 HG2 ARG 15 2HG ARG 15 -7.092 -4.602 -6.158
114 HG3 ARG 15 3HG ARG 15 -7.949 -3.097 -6.489
115 HD2 ARG 15 2HD ARG 15 -6.261 -2.264 -7.799
116 HD3 ARG 15 3HD ARG 15 -5.016 -3.201 -6.976
117 HE ARG 15 HE ARG 15 -6.497 -5.091 -8.227
118 HH11 ARG 15 1HH1 ARG 15 -4.937 -2.166 -9.291
119 HH12 ARG 15 2HH1 ARG 15 -4.640 -2.753 -10.893
120 HH21 ARG 15 1HH2 ARG 15 -6.111 -5.875 -10.334
121 HH22 ARG 15 2HH2 ARG 15 -5.309 -4.862 -11.486
122 H LYS 16 H LYS 16 -5.772 -4.160 -2.164
123 HA LYS 16 HA LYS 16 -5.444 -1.708 -0.618
124 HB2 LYS 16 2HB LYS 16 -6.633 -4.244 0.404
125 HB3 LYS 16 3HB LYS 16 -5.558 -3.348 1.469
126 HG2 LYS 16 2HG LYS 16 -7.155 -1.352 0.637
127 HG3 LYS 16 3HG LYS 16 -8.280 -2.709 0.544
128 HD2 LYS 16 2HD LYS 16 -8.304 -3.017 2.795
129 HD3 LYS 16 3HD LYS 16 -6.624 -2.513 2.991
130 HE2 LYS 16 2HE LYS 16 -8.057 -0.886 4.033
131 HE3 LYS 16 3HE LYS 16 -7.329 -0.171 2.597
132 HZ1 LYS 16 2HZ LYS 16 -10.066 -0.517 3.213
133 HZ2 LYS 16 3HZ LYS 16 -9.702 -1.328 1.773
134 HZ3 LYS 16 1HZ LYS 16 -9.364 0.323 1.924
135 H CYS 17 H CYS 17 -3.558 -1.733 0.761
136 HA CYS 17 HA CYS 17 -1.538 -3.665 -0.167
137 HB2 CYS 17 2HB CYS 17 -1.240 -0.797 0.739
138 HB3 CYS 17 3HB CYS 17 0.121 -1.876 0.453
139 H LYS 18 H LYS 18 -1.186 -5.179 1.313
140 HA LYS 18 HA LYS 18 -1.884 -5.144 3.979
141 HB2 LYS 18 2HB LYS 18 -1.297 -7.215 2.941
142 HB3 LYS 18 3HB LYS 18 0.321 -6.640 2.564
143 HG2 LYS 18 2HG LYS 18 0.666 -6.464 5.082
144 HG3 LYS 18 3HG LYS 18 -0.808 -7.425 5.229
145 HD2 LYS 18 2HD LYS 18 1.655 -8.236 3.684
146 HD3 LYS 18 3HD LYS 18 1.232 -8.808 5.299
147 HE2 LYS 18 2HE LYS 18 -0.870 -9.729 4.378
148 HE3 LYS 18 3HE LYS 18 -0.356 -9.225 2.768
149 HZ1 LYS 18 2HZ LYS 18 0.429 -11.324 2.723
150 HZ2 LYS 18 3HZ LYS 18 0.577 -11.444 4.404
151 HZ3 LYS 18 1HZ LYS 18 1.758 -10.631 3.507
152 HA PRO 19 HA PRO 19 0.951 -2.388 5.926
153 HB2 PRO 19 2HB PRO 19 0.705 -3.290 8.475
154 HB3 PRO 19 3HB PRO 19 -0.543 -2.332 7.670
155 HG2 PRO 19 2HG PRO 19 -0.392 -5.295 8.068
156 HG3 PRO 19 3HG PRO 19 -1.784 -4.211 8.247
157 HD2 PRO 19 2HD PRO 19 -1.403 -5.740 6.045
158 HD3 PRO 19 3HD PRO 19 -2.189 -4.150 5.980
159 HA PRO 20 HA PRO 20 2.023 -1.847 8.161
160 HB2 PRO 20 2HB PRO 20 4.443 -0.616 8.148
161 HB3 PRO 20 3HB PRO 20 3.977 -1.807 9.369
162 HG2 PRO 20 2HG PRO 20 5.654 -2.166 6.914
163 HG3 PRO 20 3HG PRO 20 5.914 -2.802 8.549
164 HD2 PRO 20 2HD PRO 20 4.878 -4.305 6.549
165 HD3 PRO 20 3HD PRO 20 4.421 -4.532 8.249
166 H LEU 21 H LEU 21 3.238 -2.505 5.074
167 HA LEU 21 HA LEU 21 3.784 -0.139 3.858
168 HB2 LEU 21 2HB LEU 21 1.891 -2.113 2.618
169 HB3 LEU 21 3HB LEU 21 3.072 -1.080 1.815
170 HG LEU 21 HG LEU 21 3.690 -3.478 3.540
171 HD11 LEU 21 2HD1 LEU 21 3.545 -3.029 0.588
172 HD12 LEU 21 3HD1 LEU 21 2.923 -4.369 1.550
173 HD13 LEU 21 1HD1 LEU 21 4.656 -4.224 1.256
174 HD21 LEU 21 1HD2 LEU 21 5.280 -1.227 2.889
175 HD22 LEU 21 2HD2 LEU 21 5.880 -2.596 1.952
176 HD23 LEU 21 3HD2 LEU 21 5.765 -2.712 3.709
177 H LYS 22 H LYS 22 2.703 1.632 3.128
178 HA LYS 22 HA LYS 22 -0.180 1.779 3.722
179 HB2 LYS 22 2HB LYS 22 1.904 3.940 4.082
180 HB3 LYS 22 3HB LYS 22 0.171 4.183 4.257
181 HG2 LYS 22 2HG LYS 22 1.186 1.984 5.874
182 HG3 LYS 22 3HG LYS 22 1.916 3.541 6.268
183 HD2 LYS 22 2HD LYS 22 0.075 3.637 7.615
184 HD3 LYS 22 3HD LYS 22 -0.606 4.342 6.146
185 HE2 LYS 22 2HE LYS 22 -1.714 2.355 5.575
186 HE3 LYS 22 3HE LYS 22 -0.745 1.393 6.691
187 HZ1 LYS 22 2HZ LYS 22 -2.466 1.615 8.067
188 HZ2 LYS 22 3HZ LYS 22 -3.155 2.876 7.174
189 HZ3 LYS 22 1HZ LYS 22 -1.944 3.205 8.309
190 H CYS 23 H CYS 23 -1.385 3.320 2.420
191 HA CYS 23 HA CYS 23 -0.332 3.430 -0.309
192 HB2 CYS 23 2HB CYS 23 -3.138 3.759 0.768
193 HB3 CYS 23 3HB CYS 23 -2.705 3.911 -0.933
194 H ASN 24 H ASN 24 -0.338 5.324 -1.535
195 HA ASN 24 HA ASN 24 -0.801 7.823 -0.055
196 HB2 ASN 24 2HB ASN 24 1.231 8.778 -0.825
197 HB3 ASN 24 3HB ASN 24 1.656 7.179 -0.224
198 HD21 ASN 24 1HD2 ASN 24 1.699 5.439 -1.890
199 HD22 ASN 24 2HD2 ASN 24 2.345 5.841 -3.441
200 H LYS 25 H LYS 25 -0.180 9.625 -2.015
201 HA LYS 25 HA LYS 25 -2.497 9.728 -3.553
202 HB2 LYS 25 2HB LYS 25 -1.472 11.577 -4.729
203 HB3 LYS 25 3HB LYS 25 -1.061 11.678 -3.022
204 HG2 LYS 25 2HG LYS 25 1.140 10.733 -3.491
205 HG3 LYS 25 3HG LYS 25 0.728 10.619 -5.203
206 HD2 LYS 25 2HD LYS 25 1.987 12.597 -4.996
207 HD3 LYS 25 3HD LYS 25 0.308 13.126 -5.109
208 HE2 LYS 25 2HE LYS 25 0.212 13.374 -2.687
209 HE3 LYS 25 3HE LYS 25 1.873 12.800 -2.550
210 HZ1 LYS 25 2HZ LYS 25 0.908 15.412 -3.173
211 HZ2 LYS 25 3HZ LYS 25 2.005 14.864 -4.337
212 HZ3 LYS 25 1HZ LYS 25 2.459 14.922 -2.709
213 H ALA 26 H ALA 26 0.503 8.108 -4.137
214 HA ALA 26 HA ALA 26 0.058 7.765 -6.969
215 HB1 ALA 26 2HB ALA 26 2.010 6.044 -6.542
216 HB2 ALA 26 3HB ALA 26 2.308 7.782 -6.575
217 HB3 ALA 26 1HB ALA 26 2.157 6.941 -5.031
218 H GLN 27 H GLN 27 -1.676 6.629 -4.599
219 HA GLN 27 HA GLN 27 -2.736 4.659 -4.050
220 HB2 GLN 27 2HB GLN 27 -3.758 3.621 -6.182
221 HB3 GLN 27 3HB GLN 27 -4.183 5.278 -5.771
222 HG2 GLN 27 2HG GLN 27 -2.490 6.078 -7.370
223 HG3 GLN 27 3HG GLN 27 -2.153 4.406 -7.815
224 HE21 GLN 27 1HE2 GLN 27 -4.918 6.606 -7.473
225 HE22 GLN 27 2HE2 GLN 27 -5.730 6.082 -8.904
226 H ILE 28 H ILE 28 -0.148 4.098 -3.777
227 HA ILE 28 HA ILE 28 0.038 1.370 -4.830
228 HB ILE 28 HB ILE 28 2.496 1.666 -5.156
229 HG12 ILE 28 2HG1 ILE 28 1.921 4.627 -5.139
230 HG13 ILE 28 3HG1 ILE 28 2.546 3.785 -3.726
231 HG21 ILE 28 1HG2 ILE 28 1.640 3.582 -7.099
232 HG22 ILE 28 2HG2 ILE 28 1.983 1.865 -7.304
233 HG23 ILE 28 3HG2 ILE 28 0.365 2.392 -6.841
234 HD11 ILE 28 2HD1 ILE 28 4.431 2.998 -5.245
235 HD12 ILE 28 3HD1 ILE 28 3.866 4.228 -6.376
236 HD13 ILE 28 1HD1 ILE 28 4.422 4.697 -4.769
237 H CYS 29 H CYS 29 1.876 0.163 -3.677
238 HA CYS 29 HA CYS 29 1.518 0.596 -0.822
239 HB2 CYS 29 2HB CYS 29 3.072 -1.657 -2.074
240 HB3 CYS 29 3HB CYS 29 2.253 -1.624 -0.517
241 H VAL 30 H VAL 30 2.932 1.717 0.328
242 HA VAL 30 HA VAL 30 5.784 1.470 -0.232
243 HB VAL 30 HB VAL 30 6.046 3.977 0.015
244 HG11 VAL 30 2HG1 VAL 30 5.459 4.411 -2.378
245 HG12 VAL 30 3HG1 VAL 30 6.423 2.958 -2.110
246 HG13 VAL 30 1HG1 VAL 30 4.691 2.822 -2.415
247 HG21 VAL 30 1HG2 VAL 30 3.889 4.560 0.883
248 HG22 VAL 30 2HG2 VAL 30 4.072 5.324 -0.696
249 HG23 VAL 30 3HG2 VAL 30 3.083 3.874 -0.528
250 H ASP 31 H ASP 31 6.781 1.063 1.617
251 HA ASP 31 HA ASP 31 5.626 0.999 4.115
252 HB2 ASP 31 2HB ASP 31 8.528 1.374 3.360
253 HB3 ASP 31 3HB ASP 31 7.983 1.048 5.003
254 HA PRO 32 HA PRO 32 5.313 5.141 5.545
255 HB2 PRO 32 2HB PRO 32 5.554 4.748 8.220
256 HB3 PRO 32 3HB PRO 32 4.109 4.297 7.310
257 HG2 PRO 32 2HG PRO 32 6.388 2.582 8.216
258 HG3 PRO 32 3HG PRO 32 4.648 2.243 8.257
259 HD2 PRO 32 2HD PRO 32 6.282 1.239 6.345
260 HD3 PRO 32 3HD PRO 32 4.583 1.648 6.031
261 H ASN 33 H ASN 33 8.052 3.194 6.591
262 HA ASN 33 HA ASN 33 9.575 5.279 7.734
263 HB2 ASN 33 2HB ASN 33 10.273 2.569 6.626
264 HB3 ASN 33 3HB ASN 33 11.523 3.665 7.207
265 HD21 ASN 33 1HD2 ASN 33 9.019 1.493 8.059
266 HD22 ASN 33 2HD2 ASN 33 9.223 1.576 9.772
267 H LYS 34 H LYS 34 9.002 4.303 4.464
268 HA LYS 34 HA LYS 34 11.227 5.254 3.133
269 HB2 LYS 34 2HB LYS 34 8.952 4.144 2.310
270 HB3 LYS 34 3HB LYS 34 8.549 5.818 1.951
271 HG2 LYS 34 2HG LYS 34 9.487 5.290 -0.030
272 HG3 LYS 34 3HG LYS 34 10.969 5.720 0.828
273 HD2 LYS 34 2HD LYS 34 9.885 2.912 0.725
274 HD3 LYS 34 3HD LYS 34 11.029 3.546 -0.460
275 HE2 LYS 34 2HE LYS 34 11.461 3.336 2.518
276 HE3 LYS 34 3HE LYS 34 12.196 2.317 1.281
277 HZ1 LYS 34 2HZ LYS 34 12.815 4.857 0.508
278 HZ2 LYS 34 3HZ LYS 34 13.853 3.779 1.296
279 HZ3 LYS 34 1HZ LYS 34 12.973 4.915 2.190
280 H GLY 35 H GLY 35 8.571 7.033 4.562
281 HA2 GLY 35 2HA GLY 35 8.663 9.274 5.245
282 HA3 GLY 35 3HA GLY 35 10.089 9.498 4.243
283 H TRP 36 H TRP 36 7.067 8.090 3.134
284 HA TRP 36 HA TRP 36 6.936 9.928 0.948
285 HB2 TRP 36 2HB TRP 36 4.910 8.717 0.312
286 HB3 TRP 36 3HB TRP 36 6.198 7.589 0.731
287 HD1 TRP 36 1HD TRP 36 5.901 6.170 2.994
288 HE1 TRP 36 1HE TRP 36 3.811 5.579 4.376
289 HE3 TRP 36 3HE TRP 36 2.651 9.610 1.060
290 HZ2 TRP 36 2HZ TRP 36 1.139 6.455 4.613
291 HZ3 TRP 36 3HZ TRP 36 0.345 9.667 1.919
292 HH2 TRP 36 2HH TRP 36 -0.393 8.121 3.658
Start of MODEL 5
1 H1 ASP 1 H ASP 1 -14.707 -9.085 -1.597
2 HA ASP 1 HA ASP 1 -13.115 -6.862 -2.409
3 HB2 ASP 1 2HB ASP 1 -11.886 -7.253 -0.309
4 HB3 ASP 1 3HB ASP 1 -13.628 -7.249 -0.052
5 H PHE 2 H PHE 2 -10.769 -6.871 -2.583
6 HA PHE 2 HA PHE 2 -9.828 -9.279 -3.976
7 HB2 PHE 2 2HB PHE 2 -9.229 -6.367 -4.239
8 HB3 PHE 2 3HB PHE 2 -7.969 -7.520 -4.669
9 HD1 PHE 2 2HD PHE 2 -9.201 -9.646 -6.026
10 HD2 PHE 2 1HD PHE 2 -10.272 -5.526 -6.090
11 HE1 PHE 2 2HE PHE 2 -10.236 -9.953 -8.236
12 HE2 PHE 2 1HE PHE 2 -11.309 -5.828 -8.302
13 HZ PHE 2 HZ PHE 2 -11.291 -8.043 -9.377
14 HA PRO 3 HA PRO 3 -6.757 -10.195 -0.980
15 HB2 PRO 3 2HB PRO 3 -4.642 -10.931 -2.516
16 HB3 PRO 3 3HB PRO 3 -6.090 -11.928 -2.332
17 HG2 PRO 3 2HG PRO 3 -5.336 -10.076 -4.560
18 HG3 PRO 3 3HG PRO 3 -6.048 -11.698 -4.646
19 HD2 PRO 3 2HD PRO 3 -7.521 -9.445 -4.937
20 HD3 PRO 3 3HD PRO 3 -8.175 -10.927 -4.209
21 H LEU 4 H LEU 4 -4.638 -9.607 -0.133
22 HA LEU 4 HA LEU 4 -4.122 -6.812 -0.425
23 HB2 LEU 4 2HB LEU 4 -2.554 -8.913 1.063
24 HB3 LEU 4 3HB LEU 4 -2.376 -7.169 1.242
25 HG LEU 4 HG LEU 4 -4.944 -8.606 1.872
26 HD11 LEU 4 2HD1 LEU 4 -4.300 -8.986 4.043
27 HD12 LEU 4 3HD1 LEU 4 -3.018 -7.776 3.992
28 HD13 LEU 4 1HD1 LEU 4 -2.800 -9.327 3.182
29 HD21 LEU 4 1HD2 LEU 4 -5.698 -6.625 2.639
30 HD22 LEU 4 2HD2 LEU 4 -4.490 -5.970 1.533
31 HD23 LEU 4 3HD2 LEU 4 -4.118 -6.135 3.249
32 H SER 5 H SER 5 -2.152 -5.825 -1.071
33 HA SER 5 HA SER 5 -0.724 -7.372 -3.122
34 HB2 SER 5 2HB SER 5 -0.447 -4.409 -2.948
35 HB3 SER 5 3HB SER 5 -0.504 -5.452 -4.369
36 HG SER 5 HG SER 5 -2.477 -4.054 -3.292
37 H LYS 6 H LYS 6 1.595 -6.707 -3.455
38 HA LYS 6 HA LYS 6 2.926 -6.674 -0.851
39 HB2 LYS 6 2HB LYS 6 4.622 -7.866 -1.797
40 HB3 LYS 6 3HB LYS 6 3.342 -8.314 -2.919
41 HG2 LYS 6 2HG LYS 6 4.108 -6.387 -4.362
42 HG3 LYS 6 3HG LYS 6 5.523 -6.286 -3.310
43 HD2 LYS 6 2HD LYS 6 6.418 -8.219 -4.105
44 HD3 LYS 6 3HD LYS 6 4.841 -8.959 -4.392
45 HE2 LYS 6 2HE LYS 6 4.536 -7.627 -6.383
46 HE3 LYS 6 3HE LYS 6 6.031 -6.750 -6.066
47 HZ1 LYS 6 2HZ LYS 6 6.609 -9.486 -6.096
48 HZ2 LYS 6 3HZ LYS 6 7.127 -8.296 -7.181
49 HZ3 LYS 6 1HZ LYS 6 5.692 -9.143 -7.476
50 H GLU 7 H GLU 7 5.214 -5.575 -1.006
51 HA GLU 7 HA GLU 7 4.884 -2.847 -1.002
52 HB2 GLU 7 2HB GLU 7 7.325 -2.669 -1.057
53 HB3 GLU 7 3HB GLU 7 6.808 -3.965 0.013
54 HG2 GLU 7 2HG GLU 7 7.264 -4.922 -2.676
55 HG3 GLU 7 3HG GLU 7 8.690 -4.125 -2.011
56 H TYR 8 H TYR 8 5.212 -1.180 -2.437
57 HA TYR 8 HA TYR 8 5.091 -0.128 -4.453
58 HB2 TYR 8 2HB TYR 8 6.998 -2.259 -5.419
59 HB3 TYR 8 3HB TYR 8 6.840 -0.608 -6.007
60 HD1 TYR 8 1HD TYR 8 6.835 0.968 -3.555
61 HD2 TYR 8 2HD TYR 8 9.147 -2.457 -4.569
62 HE1 TYR 8 1HE TYR 8 8.587 1.696 -1.991
63 HE2 TYR 8 2HE TYR 8 10.906 -1.738 -3.007
64 HH TYR 8 HH TYR 8 11.554 0.832 -2.022
65 H GLU 9 H GLU 9 2.874 -1.414 -4.252
66 HA GLU 9 HA GLU 9 2.454 -2.614 -6.894
67 HB2 GLU 9 2HB GLU 9 2.638 -4.338 -4.969
68 HB3 GLU 9 3HB GLU 9 1.060 -3.739 -4.482
69 HG2 GLU 9 2HG GLU 9 0.830 -5.728 -5.830
70 HG3 GLU 9 3HG GLU 9 0.156 -4.334 -6.673
71 H SER 10 H SER 10 0.292 -2.434 -7.688
72 HA SER 10 HA SER 10 -0.907 0.023 -7.328
73 HB2 SER 10 2HB SER 10 -2.285 -2.521 -8.225
74 HB3 SER 10 3HB SER 10 -2.823 -0.873 -8.552
75 HG SER 10 HG SER 10 -0.437 -2.105 -9.470
76 H CYS 11 H CYS 11 -2.595 0.818 -6.130
77 HA CYS 11 HA CYS 11 -3.644 -0.938 -4.009
78 HB2 CYS 11 2HB CYS 11 -1.957 0.728 -3.187
79 HB3 CYS 11 3HB CYS 11 -3.044 2.010 -3.712
80 H VAL 12 H VAL 12 -4.411 0.756 -6.705
81 HA VAL 12 HA VAL 12 -6.589 2.322 -6.262
82 HB VAL 12 HB VAL 12 -6.437 0.223 -8.430
83 HG11 VAL 12 2HG1 VAL 12 -8.627 1.112 -8.395
84 HG12 VAL 12 3HG1 VAL 12 -8.036 2.753 -8.131
85 HG13 VAL 12 1HG1 VAL 12 -7.777 1.964 -9.686
86 HG21 VAL 12 1HG2 VAL 12 -5.088 2.850 -8.071
87 HG22 VAL 12 2HG2 VAL 12 -4.486 1.362 -8.801
88 HG23 VAL 12 3HG2 VAL 12 -5.610 2.388 -9.692
89 H ARG 13 H ARG 13 -8.191 1.973 -4.864
90 HA ARG 13 HA ARG 13 -9.098 -0.345 -3.776
91 HB2 ARG 13 2HB ARG 13 -10.456 2.253 -4.371
92 HB3 ARG 13 3HB ARG 13 -11.407 0.917 -3.734
93 HG2 ARG 13 2HG ARG 13 -9.617 0.792 -1.894
94 HG3 ARG 13 3HG ARG 13 -9.154 2.404 -2.444
95 HD2 ARG 13 2HD ARG 13 -11.982 1.691 -1.708
96 HD3 ARG 13 3HD ARG 13 -10.815 2.280 -0.525
97 HE ARG 13 HE ARG 13 -10.762 4.103 -2.580
98 HH11 ARG 13 1HH1 ARG 13 -13.163 2.840 -0.398
99 HH12 ARG 13 2HH1 ARG 13 -14.106 4.294 -0.387
100 HH21 ARG 13 1HH2 ARG 13 -11.995 6.022 -2.574
101 HH22 ARG 13 2HH2 ARG 13 -13.441 6.103 -1.626
102 HA PRO 14 HA PRO 14 -11.313 -1.011 -3.049
103 HB2 PRO 14 2HB PRO 14 -11.884 -3.660 -2.881
104 HB3 PRO 14 3HB PRO 14 -13.080 -2.448 -3.352
105 HG2 PRO 14 2HG PRO 14 -11.461 -4.284 -5.076
106 HG3 PRO 14 3HG PRO 14 -13.178 -3.855 -5.201
107 HD2 PRO 14 2HD PRO 14 -11.278 -2.731 -6.769
108 HD3 PRO 14 3HD PRO 14 -12.730 -1.853 -6.251
109 H ARG 15 H ARG 15 -8.994 -2.407 -5.060
110 HA ARG 15 HA ARG 15 -7.604 -4.238 -3.605
111 HB2 ARG 15 2HB ARG 15 -6.326 -1.947 -5.107
112 HB3 ARG 15 3HB ARG 15 -5.590 -3.503 -4.744
113 HG2 ARG 15 2HG ARG 15 -7.275 -4.605 -6.157
114 HG3 ARG 15 3HG ARG 15 -7.946 -3.023 -6.557
115 HD2 ARG 15 2HD ARG 15 -6.196 -2.469 -7.906
116 HD3 ARG 15 3HD ARG 15 -5.038 -3.416 -6.974
117 HE ARG 15 HE ARG 15 -6.588 -5.311 -8.106
118 HH11 ARG 15 1HH1 ARG 15 -4.899 -2.549 -9.387
119 HH12 ARG 15 2HH1 ARG 15 -4.625 -3.272 -10.938
120 HH21 ARG 15 1HH2 ARG 15 -6.234 -6.274 -10.143
121 HH22 ARG 15 2HH2 ARG 15 -5.385 -5.390 -11.367
122 H LYS 16 H LYS 16 -5.725 -4.093 -2.218
123 HA LYS 16 HA LYS 16 -5.371 -1.609 -0.740
124 HB2 LYS 16 2HB LYS 16 -6.601 -4.084 0.365
125 HB3 LYS 16 3HB LYS 16 -5.469 -3.215 1.391
126 HG2 LYS 16 2HG LYS 16 -7.668 -1.711 0.057
127 HG3 LYS 16 3HG LYS 16 -8.023 -2.691 1.483
128 HD2 LYS 16 2HD LYS 16 -6.741 -1.375 2.870
129 HD3 LYS 16 3HD LYS 16 -5.707 -0.812 1.556
130 HE2 LYS 16 2HE LYS 16 -7.170 0.828 0.924
131 HE3 LYS 16 3HE LYS 16 -8.582 -0.063 1.491
132 HZ1 LYS 16 2HZ LYS 16 -8.465 0.899 3.482
133 HZ2 LYS 16 3HZ LYS 16 -7.420 2.022 2.770
134 HZ3 LYS 16 1HZ LYS 16 -6.790 0.692 3.604
135 H CYS 17 H CYS 17 -3.538 -1.776 0.825
136 HA CYS 17 HA CYS 17 -1.513 -3.671 -0.172
137 HB2 CYS 17 2HB CYS 17 -1.204 -0.815 0.765
138 HB3 CYS 17 3HB CYS 17 0.158 -1.903 0.515
139 H LYS 18 H LYS 18 -1.091 -5.189 1.279
140 HA LYS 18 HA LYS 18 -1.854 -5.242 3.927
141 HB2 LYS 18 2HB LYS 18 -1.165 -7.261 2.828
142 HB3 LYS 18 3HB LYS 18 0.451 -6.625 2.552
143 HG2 LYS 18 2HG LYS 18 0.685 -6.533 5.077
144 HG3 LYS 18 3HG LYS 18 -0.783 -7.511 5.139
145 HD2 LYS 18 2HD LYS 18 1.658 -8.296 3.559
146 HD3 LYS 18 3HD LYS 18 1.392 -8.789 5.233
147 HE2 LYS 18 2HE LYS 18 -0.760 -9.267 3.227
148 HE3 LYS 18 3HE LYS 18 0.653 -10.322 3.225
149 HZ1 LYS 18 2HZ LYS 18 0.231 -10.873 5.518
150 HZ2 LYS 18 3HZ LYS 18 -1.159 -11.181 4.604
151 HZ3 LYS 18 1HZ LYS 18 -1.077 -9.804 5.583
152 HA PRO 19 HA PRO 19 0.841 -2.433 5.996
153 HB2 PRO 19 2HB PRO 19 0.546 -3.385 8.521
154 HB3 PRO 19 3HB PRO 19 -0.704 -2.448 7.696
155 HG2 PRO 19 2HG PRO 19 -0.482 -5.411 8.050
156 HG3 PRO 19 3HG PRO 19 -1.909 -4.370 8.205
157 HD2 PRO 19 2HD PRO 19 -1.421 -5.850 5.991
158 HD3 PRO 19 3HD PRO 19 -2.249 -4.281 5.927
159 HA PRO 20 HA PRO 20 1.834 -1.896 8.266
160 HB2 PRO 20 2HB PRO 20 4.219 -0.600 8.337
161 HB3 PRO 20 3HB PRO 20 3.752 -1.820 9.528
162 HG2 PRO 20 2HG PRO 20 5.506 -2.098 7.117
163 HG3 PRO 20 3HG PRO 20 5.737 -2.750 8.750
164 HD2 PRO 20 2HD PRO 20 4.800 -4.252 6.702
165 HD3 PRO 20 3HD PRO 20 4.302 -4.516 8.385
166 H LEU 21 H LEU 21 3.163 -2.473 5.206
167 HA LEU 21 HA LEU 21 3.665 -0.066 4.046
168 HB2 LEU 21 2HB LEU 21 1.901 -2.092 2.705
169 HB3 LEU 21 3HB LEU 21 3.072 -1.004 1.966
170 HG LEU 21 HG LEU 21 3.705 -3.411 3.672
171 HD11 LEU 21 2HD1 LEU 21 3.761 -2.887 0.720
172 HD12 LEU 21 3HD1 LEU 21 3.026 -4.230 1.596
173 HD13 LEU 21 1HD1 LEU 21 4.781 -4.121 1.460
174 HD21 LEU 21 1HD2 LEU 21 6.008 -2.962 3.247
175 HD22 LEU 21 2HD2 LEU 21 5.292 -1.493 3.909
176 HD23 LEU 21 3HD2 LEU 21 5.609 -1.617 2.178
177 H LYS 22 H LYS 22 2.535 1.661 3.276
178 HA LYS 22 HA LYS 22 -0.372 1.683 3.762
179 HB2 LYS 22 2HB LYS 22 1.558 3.969 4.208
180 HB3 LYS 22 3HB LYS 22 -0.186 4.044 4.417
181 HG2 LYS 22 2HG LYS 22 1.669 2.274 5.995
182 HG3 LYS 22 3HG LYS 22 1.023 3.821 6.543
183 HD2 LYS 22 2HD LYS 22 -1.273 2.880 6.235
184 HD3 LYS 22 3HD LYS 22 -0.527 1.315 5.904
185 HE2 LYS 22 2HE LYS 22 -1.255 1.504 8.237
186 HE3 LYS 22 3HE LYS 22 0.493 1.311 8.109
187 HZ1 LYS 22 2HZ LYS 22 -0.613 3.146 9.631
188 HZ2 LYS 22 3HZ LYS 22 -0.544 4.038 8.195
189 HZ3 LYS 22 1HZ LYS 22 0.873 3.397 8.862
190 H CYS 23 H CYS 23 -1.614 3.071 2.393
191 HA CYS 23 HA CYS 23 -0.425 3.344 -0.263
192 HB2 CYS 23 2HB CYS 23 -3.303 3.493 0.657
193 HB3 CYS 23 3HB CYS 23 -2.777 3.659 -1.014
194 H ASN 24 H ASN 24 -0.307 5.256 -1.376
195 HA ASN 24 HA ASN 24 -1.050 7.690 0.110
196 HB2 ASN 24 2HB ASN 24 0.948 8.777 -0.591
197 HB3 ASN 24 3HB ASN 24 1.438 7.200 0.021
198 HD21 ASN 24 1HD2 ASN 24 1.585 5.467 -1.675
199 HD22 ASN 24 2HD2 ASN 24 2.289 5.915 -3.188
200 H LYS 25 H LYS 25 -0.467 9.572 -1.787
201 HA LYS 25 HA LYS 25 -2.735 9.587 -3.399
202 HB2 LYS 25 2HB LYS 25 -1.602 11.452 -4.621
203 HB3 LYS 25 3HB LYS 25 -1.627 11.648 -2.873
204 HG2 LYS 25 2HG LYS 25 0.758 10.279 -3.810
205 HG3 LYS 25 3HG LYS 25 0.569 11.889 -4.509
206 HD2 LYS 25 2HD LYS 25 -0.011 12.469 -1.968
207 HD3 LYS 25 3HD LYS 25 1.035 11.073 -1.696
208 HE2 LYS 25 2HE LYS 25 2.805 12.126 -2.989
209 HE3 LYS 25 3HE LYS 25 1.756 13.498 -3.341
210 HZ1 LYS 25 2HZ LYS 25 1.643 13.517 -0.707
211 HZ2 LYS 25 3HZ LYS 25 2.844 14.341 -1.567
212 HZ3 LYS 25 1HZ LYS 25 3.176 12.827 -0.887
213 H ALA 26 H ALA 26 0.346 8.118 -3.904
214 HA ALA 26 HA ALA 26 0.036 7.843 -6.763
215 HB1 ALA 26 2HB ALA 26 2.266 7.953 -6.255
216 HB2 ALA 26 3HB ALA 26 2.086 7.032 -4.762
217 HB3 ALA 26 1HB ALA 26 2.042 6.204 -6.319
218 H GLN 27 H GLN 27 -1.753 6.574 -4.514
219 HA GLN 27 HA GLN 27 -2.752 4.546 -4.063
220 HB2 GLN 27 2HB GLN 27 -3.635 3.523 -6.257
221 HB3 GLN 27 3HB GLN 27 -4.133 5.158 -5.844
222 HG2 GLN 27 2HG GLN 27 -2.383 6.035 -7.343
223 HG3 GLN 27 3HG GLN 27 -1.987 4.380 -7.803
224 HE21 GLN 27 1HE2 GLN 27 -4.819 6.504 -7.543
225 HE22 GLN 27 2HE2 GLN 27 -5.551 5.992 -9.021
226 H ILE 28 H ILE 28 -0.151 4.096 -3.686
227 HA ILE 28 HA ILE 28 0.197 1.398 -4.777
228 HB ILE 28 HB ILE 28 2.651 1.806 -5.001
229 HG12 ILE 28 2HG1 ILE 28 1.943 4.738 -4.968
230 HG13 ILE 28 3HG1 ILE 28 2.551 3.903 -3.543
231 HG21 ILE 28 1HG2 ILE 28 1.783 3.712 -6.952
232 HG22 ILE 28 2HG2 ILE 28 2.212 2.015 -7.166
233 HG23 ILE 28 3HG2 ILE 28 0.555 2.461 -6.758
234 HD11 ILE 28 2HD1 ILE 28 4.512 3.211 -5.051
235 HD12 ILE 28 3HD1 ILE 28 3.947 4.497 -6.118
236 HD13 ILE 28 1HD1 ILE 28 4.439 4.875 -4.467
237 H CYS 29 H CYS 29 2.009 0.233 -3.568
238 HA CYS 29 HA CYS 29 1.545 0.621 -0.723
239 HB2 CYS 29 2HB CYS 29 3.190 -1.572 -1.973
240 HB3 CYS 29 3HB CYS 29 2.362 -1.579 -0.419
241 H VAL 30 H VAL 30 2.887 1.766 0.487
242 HA VAL 30 HA VAL 30 5.761 1.605 0.026
243 HB VAL 30 HB VAL 30 5.933 4.124 0.316
244 HG11 VAL 30 2HG1 VAL 30 5.901 2.592 -1.899
245 HG12 VAL 30 3HG1 VAL 30 4.581 3.702 -2.270
246 HG13 VAL 30 1HG1 VAL 30 6.189 4.332 -1.917
247 HG21 VAL 30 1HG2 VAL 30 4.125 5.445 0.350
248 HG22 VAL 30 2HG2 VAL 30 3.313 4.529 -0.920
249 HG23 VAL 30 3HG2 VAL 30 3.236 3.976 0.753
250 H ASP 31 H ASP 31 6.731 1.252 1.903
251 HA ASP 31 HA ASP 31 5.502 1.092 4.358
252 HB2 ASP 31 2HB ASP 31 8.343 1.394 3.493
253 HB3 ASP 31 3HB ASP 31 7.972 1.564 5.207
254 HA PRO 32 HA PRO 32 4.877 5.188 5.815
255 HB2 PRO 32 2HB PRO 32 5.039 4.776 8.494
256 HB3 PRO 32 3HB PRO 32 3.660 4.249 7.523
257 HG2 PRO 32 2HG PRO 32 6.005 2.665 8.498
258 HG3 PRO 32 3HG PRO 32 4.289 2.220 8.469
259 HD2 PRO 32 2HD PRO 32 6.054 1.344 6.611
260 HD3 PRO 32 3HD PRO 32 4.346 1.651 6.235
261 H ASN 33 H ASN 33 7.780 3.457 6.483
262 HA ASN 33 HA ASN 33 9.092 5.931 7.394
263 HB2 ASN 33 2HB ASN 33 10.862 4.455 8.307
264 HB3 ASN 33 3HB ASN 33 9.283 4.128 9.016
265 HD21 ASN 33 1HD2 ASN 33 8.199 2.227 8.472
266 HD22 ASN 33 2HD2 ASN 33 9.021 0.882 7.765
267 H LYS 34 H LYS 34 8.476 5.193 4.619
268 HA LYS 34 HA LYS 34 11.011 4.473 3.426
269 HB2 LYS 34 2HB LYS 34 8.988 3.667 2.370
270 HB3 LYS 34 3HB LYS 34 8.369 5.306 2.217
271 HG2 LYS 34 2HG LYS 34 10.273 5.823 0.708
272 HG3 LYS 34 3HG LYS 34 10.733 4.120 0.780
273 HD2 LYS 34 2HD LYS 34 8.493 3.525 -0.097
274 HD3 LYS 34 3HD LYS 34 8.132 5.245 -0.260
275 HE2 LYS 34 2HE LYS 34 8.826 4.486 -2.397
276 HE3 LYS 34 3HE LYS 34 10.165 5.419 -1.732
277 HZ1 LYS 34 2HZ LYS 34 10.417 2.977 -2.786
278 HZ2 LYS 34 3HZ LYS 34 10.234 2.583 -1.151
279 HZ3 LYS 34 1HZ LYS 34 11.479 3.621 -1.639
280 H GLY 35 H GLY 35 8.992 7.362 3.742
281 HA2 GLY 35 2HA GLY 35 10.620 9.355 4.082
282 HA3 GLY 35 3HA GLY 35 11.096 8.949 2.439
283 H TRP 36 H TRP 36 8.223 8.169 1.889
284 HA TRP 36 HA TRP 36 7.404 10.534 0.659
285 HB2 TRP 36 2HB TRP 36 5.357 9.412 0.151
286 HB3 TRP 36 3HB TRP 36 6.629 8.194 0.119
287 HD1 TRP 36 1HD TRP 36 6.768 6.583 2.380
288 HE1 TRP 36 1HE TRP 36 4.853 5.703 3.857
289 HE3 TRP 36 3HE TRP 36 3.117 9.898 1.035
290 HZ2 TRP 36 2HZ TRP 36 2.151 6.329 4.381
291 HZ3 TRP 36 3HZ TRP 36 0.894 9.688 2.071
292 HH2 TRP 36 2HH TRP 36 0.424 7.940 3.708
Start of MODEL 6
1 H1 ASP 1 H ASP 1 -14.262 -8.660 -1.283
2 HA ASP 1 HA ASP 1 -13.062 -6.364 -2.621
3 HB2 ASP 1 2HB ASP 1 -11.669 -6.160 -0.635
4 HB3 ASP 1 3HB ASP 1 -13.360 -6.312 -0.168
5 H PHE 2 H PHE 2 -10.659 -6.327 -2.843
6 HA PHE 2 HA PHE 2 -9.788 -8.821 -4.087
7 HB2 PHE 2 2HB PHE 2 -9.005 -5.950 -4.339
8 HB3 PHE 2 3HB PHE 2 -7.817 -7.182 -4.752
9 HD1 PHE 2 1HD PHE 2 -9.170 -9.224 -6.126
10 HD2 PHE 2 2HD PHE 2 -9.960 -5.043 -6.207
11 HE1 PHE 2 1HE PHE 2 -10.191 -9.464 -8.351
12 HE2 PHE 2 2HE PHE 2 -10.983 -5.276 -8.433
13 HZ PHE 2 HZ PHE 2 -11.100 -7.489 -9.507
14 HA PRO 3 HA PRO 3 -6.833 -9.915 -1.037
15 HB2 PRO 3 2HB PRO 3 -4.742 -10.784 -2.534
16 HB3 PRO 3 3HB PRO 3 -6.251 -11.691 -2.375
17 HG2 PRO 3 2HG PRO 3 -5.347 -9.892 -4.591
18 HG3 PRO 3 3HG PRO 3 -6.154 -11.468 -4.687
19 HD2 PRO 3 2HD PRO 3 -7.481 -9.129 -5.007
20 HD3 PRO 3 3HD PRO 3 -8.237 -10.566 -4.289
21 H LEU 4 H LEU 4 -4.699 -9.454 -0.150
22 HA LEU 4 HA LEU 4 -4.019 -6.700 -0.394
23 HB2 LEU 4 2HB LEU 4 -2.503 -8.899 1.001
24 HB3 LEU 4 3HB LEU 4 -2.309 -7.166 1.258
25 HG LEU 4 HG LEU 4 -4.906 -8.570 1.819
26 HD11 LEU 4 2HD1 LEU 4 -4.215 -9.359 3.798
27 HD12 LEU 4 3HD1 LEU 4 -3.177 -7.965 4.106
28 HD13 LEU 4 1HD1 LEU 4 -2.606 -9.282 3.080
29 HD21 LEU 4 1HD2 LEU 4 -5.456 -6.662 3.043
30 HD22 LEU 4 2HD2 LEU 4 -4.651 -6.024 1.609
31 HD23 LEU 4 3HD2 LEU 4 -3.779 -6.124 3.139
32 H SER 5 H SER 5 -2.037 -5.786 -1.072
33 HA SER 5 HA SER 5 -0.661 -7.384 -3.124
34 HB2 SER 5 2HB SER 5 -0.484 -4.392 -2.976
35 HB3 SER 5 3HB SER 5 -0.336 -5.448 -4.380
36 HG SER 5 HG SER 5 -2.418 -4.143 -3.837
37 H LYS 6 H LYS 6 1.656 -6.768 -3.488
38 HA LYS 6 HA LYS 6 3.019 -6.716 -0.912
39 HB2 LYS 6 2HB LYS 6 4.871 -7.657 -1.992
40 HB3 LYS 6 3HB LYS 6 3.494 -8.396 -2.800
41 HG2 LYS 6 2HG LYS 6 3.932 -6.185 -4.340
42 HG3 LYS 6 3HG LYS 6 5.569 -6.635 -3.855
43 HD2 LYS 6 2HD LYS 6 4.280 -9.032 -4.531
44 HD3 LYS 6 3HD LYS 6 3.832 -7.872 -5.784
45 HE2 LYS 6 2HE LYS 6 6.671 -7.877 -4.990
46 HE3 LYS 6 3HE LYS 6 6.105 -9.328 -5.814
47 HZ1 LYS 6 2HZ LYS 6 6.699 -6.788 -6.901
48 HZ2 LYS 6 3HZ LYS 6 5.085 -7.178 -7.225
49 HZ3 LYS 6 1HZ LYS 6 6.322 -8.227 -7.706
50 H GLU 7 H GLU 7 5.261 -5.558 -1.021
51 HA GLU 7 HA GLU 7 4.852 -2.828 -1.004
52 HB2 GLU 7 2HB GLU 7 7.215 -2.575 -0.789
53 HB3 GLU 7 3HB GLU 7 6.778 -4.070 0.028
54 HG2 GLU 7 2HG GLU 7 7.344 -4.907 -2.527
55 HG3 GLU 7 3HG GLU 7 8.525 -3.628 -2.249
56 H TYR 8 H TYR 8 5.048 -1.183 -2.443
57 HA TYR 8 HA TYR 8 5.079 -0.110 -4.448
58 HB2 TYR 8 2HB TYR 8 6.994 -2.265 -5.346
59 HB3 TYR 8 3HB TYR 8 6.845 -0.633 -5.985
60 HD1 TYR 8 2HD TYR 8 6.779 0.999 -3.558
61 HD2 TYR 8 1HD TYR 8 9.139 -2.422 -4.470
62 HE1 TYR 8 2HE TYR 8 8.502 1.775 -1.983
63 HE2 TYR 8 1HE TYR 8 10.868 -1.656 -2.898
64 HH TYR 8 HH TYR 8 11.621 0.280 -1.787
65 H GLU 9 H GLU 9 2.861 -1.472 -4.239
66 HA GLU 9 HA GLU 9 2.465 -2.607 -6.915
67 HB2 GLU 9 2HB GLU 9 2.648 -4.348 -4.983
68 HB3 GLU 9 3HB GLU 9 1.035 -3.793 -4.560
69 HG2 GLU 9 2HG GLU 9 0.941 -5.783 -5.940
70 HG3 GLU 9 3HG GLU 9 0.230 -4.402 -6.774
71 H SER 10 H SER 10 0.295 -2.453 -7.708
72 HA SER 10 HA SER 10 -0.927 -0.010 -7.330
73 HB2 SER 10 2HB SER 10 -2.593 -2.375 -8.119
74 HB3 SER 10 3HB SER 10 -2.588 -0.741 -8.783
75 HG SER 10 HG SER 10 -1.204 -1.404 -10.202
76 H CYS 11 H CYS 11 -2.609 0.767 -6.118
77 HA CYS 11 HA CYS 11 -3.646 -1.012 -4.010
78 HB2 CYS 11 2HB CYS 11 -1.963 0.657 -3.180
79 HB3 CYS 11 3HB CYS 11 -3.061 1.935 -3.688
80 H VAL 12 H VAL 12 -4.429 0.700 -6.688
81 HA VAL 12 HA VAL 12 -6.611 2.251 -6.230
82 HB VAL 12 HB VAL 12 -6.458 0.165 -8.410
83 HG11 VAL 12 2HG1 VAL 12 -8.594 0.954 -8.618
84 HG12 VAL 12 3HG1 VAL 12 -8.201 2.522 -7.913
85 HG13 VAL 12 1HG1 VAL 12 -7.734 2.161 -9.574
86 HG21 VAL 12 1HG2 VAL 12 -5.127 2.803 -8.048
87 HG22 VAL 12 2HG2 VAL 12 -4.510 1.318 -8.772
88 HG23 VAL 12 3HG2 VAL 12 -5.642 2.331 -9.668
89 H ARG 13 H ARG 13 -8.218 1.895 -4.842
90 HA ARG 13 HA ARG 13 -9.110 -0.430 -3.753
91 HB2 ARG 13 2HB ARG 13 -10.516 2.144 -4.369
92 HB3 ARG 13 3HB ARG 13 -11.415 0.802 -3.673
93 HG2 ARG 13 2HG ARG 13 -9.452 0.802 -1.933
94 HG3 ARG 13 3HG ARG 13 -9.267 2.472 -2.475
95 HD2 ARG 13 2HD ARG 13 -11.808 1.237 -1.415
96 HD3 ARG 13 3HD ARG 13 -10.727 2.296 -0.509
97 HE ARG 13 HE ARG 13 -11.579 3.537 -2.913
98 HH11 ARG 13 1HH1 ARG 13 -12.654 2.696 0.290
99 HH12 ARG 13 2HH1 ARG 13 -13.809 3.985 0.382
100 HH21 ARG 13 1HH2 ARG 13 -13.096 5.237 -2.804
101 HH22 ARG 13 2HH2 ARG 13 -14.060 5.428 -1.379
102 HA PRO 14 HA PRO 14 -11.322 -1.108 -3.026
103 HB2 PRO 14 2HB PRO 14 -11.879 -3.760 -2.857
104 HB3 PRO 14 3HB PRO 14 -13.081 -2.554 -3.332
105 HG2 PRO 14 2HG PRO 14 -11.450 -4.381 -5.053
106 HG3 PRO 14 3HG PRO 14 -13.169 -3.963 -5.180
107 HD2 PRO 14 2HD PRO 14 -11.273 -2.829 -6.745
108 HD3 PRO 14 3HD PRO 14 -12.732 -1.958 -6.230
109 H ARG 15 H ARG 15 -8.997 -2.502 -5.036
110 HA ARG 15 HA ARG 15 -7.599 -4.320 -3.573
111 HB2 ARG 15 2HB ARG 15 -6.324 -2.034 -5.085
112 HB3 ARG 15 3HB ARG 15 -5.593 -3.592 -4.722
113 HG2 ARG 15 2HG ARG 15 -7.312 -4.682 -6.123
114 HG3 ARG 15 3HG ARG 15 -7.935 -3.085 -6.544
115 HD2 ARG 15 2HD ARG 15 -6.162 -2.593 -7.885
116 HD3 ARG 15 3HD ARG 15 -5.036 -3.563 -6.935
117 HE ARG 15 HE ARG 15 -5.542 -5.388 -8.241
118 HH11 ARG 15 1HH1 ARG 15 -7.816 -2.827 -8.867
119 HH12 ARG 15 2HH1 ARG 15 -8.510 -3.606 -10.250
120 HH21 ARG 15 1HH2 ARG 15 -6.450 -6.424 -10.059
121 HH22 ARG 15 2HH2 ARG 15 -7.734 -5.652 -10.926
122 H LYS 16 H LYS 16 -5.718 -4.159 -2.190
123 HA LYS 16 HA LYS 16 -5.371 -1.664 -0.727
124 HB2 LYS 16 2HB LYS 16 -6.375 -4.223 0.500
125 HB3 LYS 16 3HB LYS 16 -5.526 -3.015 1.456
126 HG2 LYS 16 2HG LYS 16 -7.973 -2.378 -0.167
127 HG3 LYS 16 3HG LYS 16 -8.046 -2.924 1.511
128 HD2 LYS 16 2HD LYS 16 -6.300 -0.612 0.769
129 HD3 LYS 16 3HD LYS 16 -8.037 -0.372 0.969
130 HE2 LYS 16 2HE LYS 16 -7.981 -0.901 3.222
131 HE3 LYS 16 3HE LYS 16 -6.478 -1.809 3.076
132 HZ1 LYS 16 2HZ LYS 16 -5.228 0.144 2.972
133 HZ2 LYS 16 3HZ LYS 16 -6.363 0.450 4.187
134 HZ3 LYS 16 1HZ LYS 16 -6.574 1.115 2.646
135 H CYS 17 H CYS 17 -3.540 -1.827 0.851
136 HA CYS 17 HA CYS 17 -1.507 -3.716 -0.144
137 HB2 CYS 17 2HB CYS 17 -1.210 -0.854 0.776
138 HB3 CYS 17 3HB CYS 17 0.157 -1.938 0.537
139 H LYS 18 H LYS 18 -1.080 -5.226 1.313
140 HA LYS 18 HA LYS 18 -1.841 -5.270 3.961
141 HB2 LYS 18 2HB LYS 18 -1.146 -7.291 2.875
142 HB3 LYS 18 3HB LYS 18 0.467 -6.651 2.589
143 HG2 LYS 18 2HG LYS 18 0.706 -6.541 5.115
144 HG3 LYS 18 3HG LYS 18 -0.753 -7.531 5.184
145 HD2 LYS 18 2HD LYS 18 1.780 -8.266 3.716
146 HD3 LYS 18 3HD LYS 18 1.311 -8.876 5.305
147 HE2 LYS 18 2HE LYS 18 -0.756 -9.794 4.275
148 HE3 LYS 18 3HE LYS 18 -0.151 -9.288 2.699
149 HZ1 LYS 18 2HZ LYS 18 0.853 -11.250 2.605
150 HZ2 LYS 18 3HZ LYS 18 0.511 -11.599 4.224
151 HZ3 LYS 18 1HZ LYS 18 1.899 -10.721 3.822
152 HA PRO 19 HA PRO 19 0.842 -2.442 6.019
153 HB2 PRO 19 2HB PRO 19 0.556 -3.387 8.547
154 HB3 PRO 19 3HB PRO 19 -0.701 -2.459 7.720
155 HG2 PRO 19 2HG PRO 19 -0.463 -5.421 8.083
156 HG3 PRO 19 3HG PRO 19 -1.895 -4.386 8.238
157 HD2 PRO 19 2HD PRO 19 -1.403 -5.871 6.028
158 HD3 PRO 19 3HD PRO 19 -2.238 -4.307 5.961
159 HA PRO 20 HA PRO 20 1.836 -1.892 8.285
160 HB2 PRO 20 2HB PRO 20 4.214 -0.584 8.350
161 HB3 PRO 20 3HB PRO 20 3.756 -1.803 9.545
162 HG2 PRO 20 2HG PRO 20 5.507 -2.080 7.133
163 HG3 PRO 20 3HG PRO 20 5.744 -2.725 8.768
164 HD2 PRO 20 2HD PRO 20 4.812 -4.239 6.725
165 HD3 PRO 20 3HD PRO 20 4.317 -4.499 8.410
166 H LEU 21 H LEU 21 3.163 -2.474 5.226
167 HA LEU 21 HA LEU 21 3.652 -0.069 4.058
168 HB2 LEU 21 2HB LEU 21 1.894 -2.105 2.724
169 HB3 LEU 21 3HB LEU 21 3.064 -1.016 1.981
170 HG LEU 21 HG LEU 21 3.696 -3.419 3.694
171 HD11 LEU 21 2HD1 LEU 21 4.787 -4.120 1.478
172 HD12 LEU 21 3HD1 LEU 21 3.749 -2.899 0.743
173 HD13 LEU 21 1HD1 LEU 21 3.035 -4.251 1.621
174 HD21 LEU 21 1HD2 LEU 21 5.282 -1.505 3.938
175 HD22 LEU 21 2HD2 LEU 21 5.599 -1.617 2.207
176 HD23 LEU 21 3HD2 LEU 21 6.002 -2.968 3.267
177 H LYS 22 H LYS 22 2.513 1.652 3.284
178 HA LYS 22 HA LYS 22 -0.393 1.661 3.770
179 HB2 LYS 22 2HB LYS 22 1.519 3.962 4.211
180 HB3 LYS 22 3HB LYS 22 -0.224 4.017 4.434
181 HG2 LYS 22 2HG LYS 22 1.670 2.275 5.997
182 HG3 LYS 22 3HG LYS 22 0.991 3.807 6.553
183 HD2 LYS 22 2HD LYS 22 -1.285 2.808 6.239
184 HD3 LYS 22 3HD LYS 22 -0.497 1.261 5.920
185 HE2 LYS 22 2HE LYS 22 0.570 1.381 8.139
186 HE3 LYS 22 3HE LYS 22 -0.288 2.889 8.452
187 HZ1 LYS 22 2HZ LYS 22 -2.324 1.800 8.537
188 HZ2 LYS 22 3HZ LYS 22 -1.287 0.739 9.349
189 HZ3 LYS 22 1HZ LYS 22 -1.745 0.417 7.752
190 H CYS 23 H CYS 23 -1.647 3.006 2.386
191 HA CYS 23 HA CYS 23 -0.450 3.302 -0.262
192 HB2 CYS 23 2HB CYS 23 -3.334 3.429 0.641
193 HB3 CYS 23 3HB CYS 23 -2.797 3.580 -1.028
194 H ASN 24 H ASN 24 -0.351 5.216 -1.375
195 HA ASN 24 HA ASN 24 -1.126 7.641 0.108
196 HB2 ASN 24 2HB ASN 24 0.860 8.752 -0.591
197 HB3 ASN 24 3HB ASN 24 1.367 7.181 0.024
198 HD21 ASN 24 1HD2 ASN 24 1.534 5.449 -1.672
199 HD22 ASN 24 2HD2 ASN 24 2.237 5.904 -3.183
200 H LYS 25 H LYS 25 -0.563 9.530 -1.786
201 HA LYS 25 HA LYS 25 -2.829 9.518 -3.402
202 HB2 LYS 25 2HB LYS 25 -0.260 11.051 -3.848
203 HB3 LYS 25 3HB LYS 25 -1.825 11.436 -4.553
204 HG2 LYS 25 2HG LYS 25 -1.571 11.283 -1.589
205 HG3 LYS 25 3HG LYS 25 -0.958 12.703 -2.439
206 HD2 LYS 25 2HD LYS 25 -3.719 11.688 -2.994
207 HD3 LYS 25 3HD LYS 25 -3.408 12.686 -1.570
208 HE2 LYS 25 2HE LYS 25 -2.470 13.552 -4.279
209 HE3 LYS 25 3HE LYS 25 -4.139 13.821 -3.781
210 HZ1 LYS 25 2HZ LYS 25 -3.370 15.089 -1.905
211 HZ2 LYS 25 3HZ LYS 25 -2.689 15.726 -3.316
212 HZ3 LYS 25 1HZ LYS 25 -1.755 14.764 -2.285
213 H ALA 26 H ALA 26 0.269 8.083 -3.901
214 HA ALA 26 HA ALA 26 -0.032 7.806 -6.762
215 HB1 ALA 26 2HB ALA 26 2.023 7.021 -4.756
216 HB2 ALA 26 3HB ALA 26 1.992 6.188 -6.310
217 HB3 ALA 26 1HB ALA 26 2.195 7.939 -6.253
218 H GLN 27 H GLN 27 -1.813 6.517 -4.518
219 HA GLN 27 HA GLN 27 -2.792 4.479 -4.070
220 HB2 GLN 27 2HB GLN 27 -3.654 3.445 -6.269
221 HB3 GLN 27 3HB GLN 27 -4.176 5.073 -5.853
222 HG2 GLN 27 2HG GLN 27 -2.432 5.976 -7.345
223 HG3 GLN 27 3HG GLN 27 -2.013 4.327 -7.809
224 HE21 GLN 27 1HE2 GLN 27 -4.874 6.414 -7.550
225 HE22 GLN 27 2HE2 GLN 27 -5.596 5.897 -9.032
226 H ILE 28 H ILE 28 -0.183 4.059 -3.688
227 HA ILE 28 HA ILE 28 0.196 1.363 -4.775
228 HB ILE 28 HB ILE 28 2.645 1.799 -4.996
229 HG12 ILE 28 2HG1 ILE 28 1.903 4.723 -4.959
230 HG13 ILE 28 3HG1 ILE 28 2.527 3.891 -3.538
231 HG21 ILE 28 1HG2 ILE 28 0.545 2.433 -6.756
232 HG22 ILE 28 2HG2 ILE 28 1.761 3.695 -6.947
233 HG23 ILE 28 3HG2 ILE 28 2.205 2.002 -7.162
234 HD11 ILE 28 2HD1 ILE 28 4.402 4.882 -4.461
235 HD12 ILE 28 3HD1 ILE 28 4.488 3.226 -5.061
236 HD13 ILE 28 1HD1 ILE 28 3.906 4.515 -6.113
237 H CYS 29 H CYS 29 2.006 0.211 -3.562
238 HA CYS 29 HA CYS 29 1.538 0.605 -0.717
239 HB2 CYS 29 2HB CYS 29 3.197 -1.584 -1.955
240 HB3 CYS 29 3HB CYS 29 2.359 -1.591 -0.408
241 H VAL 30 H VAL 30 2.873 1.760 0.492
242 HA VAL 30 HA VAL 30 5.749 1.610 0.033
243 HB VAL 30 HB VAL 30 5.908 4.131 0.316
244 HG11 VAL 30 2HG1 VAL 30 6.319 2.920 -1.806
245 HG12 VAL 30 3HG1 VAL 30 4.623 3.152 -2.230
246 HG13 VAL 30 1HG1 VAL 30 5.684 4.548 -2.046
247 HG21 VAL 30 1HG2 VAL 30 3.213 3.971 0.749
248 HG22 VAL 30 2HG2 VAL 30 4.092 5.445 0.341
249 HG23 VAL 30 3HG2 VAL 30 3.289 4.517 -0.926
250 H ASP 31 H ASP 31 6.714 1.260 1.912
251 HA ASP 31 HA ASP 31 5.485 1.106 4.365
252 HB2 ASP 31 2HB ASP 31 8.385 1.704 3.748
253 HB3 ASP 31 3HB ASP 31 7.784 1.262 5.344
254 HA PRO 32 HA PRO 32 4.850 5.205 5.810
255 HB2 PRO 32 2HB PRO 32 5.011 4.801 8.490
256 HB3 PRO 32 3HB PRO 32 3.633 4.269 7.520
257 HG2 PRO 32 2HG PRO 32 5.980 2.692 8.502
258 HG3 PRO 32 3HG PRO 32 4.265 2.244 8.472
259 HD2 PRO 32 2HD PRO 32 6.034 1.366 6.619
260 HD3 PRO 32 3HD PRO 32 4.325 1.669 6.241
261 H ASN 33 H ASN 33 7.754 3.480 6.494
262 HA ASN 33 HA ASN 33 9.063 5.963 7.386
263 HB2 ASN 33 2HB ASN 33 9.691 3.065 7.915
264 HB3 ASN 33 3HB ASN 33 10.894 4.328 8.159
265 HD21 ASN 33 1HD2 ASN 33 8.387 2.612 9.538
266 HD22 ASN 33 2HD2 ASN 33 8.125 3.600 10.930
267 H LYS 34 H LYS 34 8.456 5.119 4.613
268 HA LYS 34 HA LYS 34 11.002 4.406 3.449
269 HB2 LYS 34 2HB LYS 34 9.046 3.556 2.359
270 HB3 LYS 34 3HB LYS 34 8.333 5.161 2.255
271 HG2 LYS 34 2HG LYS 34 9.162 4.468 0.096
272 HG3 LYS 34 3HG LYS 34 10.102 5.836 0.697
273 HD2 LYS 34 2HD LYS 34 11.902 4.379 1.349
274 HD3 LYS 34 3HD LYS 34 10.945 2.950 0.950
275 HE2 LYS 34 2HE LYS 34 11.917 5.052 -0.984
276 HE3 LYS 34 3HE LYS 34 12.559 3.419 -0.808
277 HZ1 LYS 34 2HZ LYS 34 11.068 2.754 -2.282
278 HZ2 LYS 34 3HZ LYS 34 10.376 4.296 -2.358
279 HZ3 LYS 34 1HZ LYS 34 9.824 3.176 -1.216
280 H GLY 35 H GLY 35 9.109 7.305 3.975
281 HA2 GLY 35 2HA GLY 35 10.318 9.402 4.199
282 HA3 GLY 35 3HA GLY 35 11.363 8.871 2.889
283 H TRP 36 H TRP 36 7.839 8.673 3.012
284 HA TRP 36 HA TRP 36 7.754 10.437 0.657
285 HB2 TRP 36 2HB TRP 36 5.668 9.315 0.052
286 HB3 TRP 36 3HB TRP 36 6.963 8.138 0.258
287 HD1 TRP 36 1HD TRP 36 6.867 6.626 2.536
288 HE1 TRP 36 1HE TRP 36 4.848 5.868 3.940
289 HE3 TRP 36 3HE TRP 36 3.397 9.974 0.837
290 HZ2 TRP 36 2HZ TRP 36 2.142 6.594 4.282
291 HZ3 TRP 36 3HZ TRP 36 1.115 9.874 1.754
292 HH2 TRP 36 2HH TRP 36 0.503 8.218 3.440
Start of MODEL 7
1 H1 ASP 1 H ASP 1 -14.882 -7.800 -1.967
2 HA ASP 1 HA ASP 1 -12.865 -5.726 -2.103
3 HB2 ASP 1 2HB ASP 1 -12.088 -6.575 0.013
4 HB3 ASP 1 3HB ASP 1 -13.847 -6.504 0.061
5 H PHE 2 H PHE 2 -10.678 -6.026 -2.468
6 HA PHE 2 HA PHE 2 -10.000 -8.517 -3.867
7 HB2 PHE 2 2HB PHE 2 -9.106 -5.683 -4.140
8 HB3 PHE 2 3HB PHE 2 -7.972 -6.959 -4.569
9 HD1 PHE 2 1HD PHE 2 -9.408 -8.951 -5.919
10 HD2 PHE 2 2HD PHE 2 -10.072 -4.748 -5.988
11 HE1 PHE 2 1HE PHE 2 -10.475 -9.159 -8.127
12 HE2 PHE 2 2HE PHE 2 -11.141 -4.948 -8.195
13 HZ PHE 2 HZ PHE 2 -11.344 -7.156 -9.268
14 HA PRO 3 HA PRO 3 -7.025 -9.742 -0.885
15 HB2 PRO 3 2HB PRO 3 -5.004 -10.692 -2.429
16 HB3 PRO 3 3HB PRO 3 -6.546 -11.536 -2.238
17 HG2 PRO 3 2HG PRO 3 -5.617 -9.772 -4.470
18 HG3 PRO 3 3HG PRO 3 -6.491 -11.313 -4.552
19 HD2 PRO 3 2HD PRO 3 -7.725 -8.920 -4.839
20 HD3 PRO 3 3HD PRO 3 -8.526 -10.325 -4.107
21 H LEU 4 H LEU 4 -4.849 -9.377 -0.050
22 HA LEU 4 HA LEU 4 -4.058 -6.650 -0.315
23 HB2 LEU 4 2HB LEU 4 -2.614 -8.903 1.071
24 HB3 LEU 4 3HB LEU 4 -2.353 -7.177 1.319
25 HG LEU 4 HG LEU 4 -4.982 -8.504 1.930
26 HD11 LEU 4 2HD1 LEU 4 -2.991 -7.907 4.062
27 HD12 LEU 4 3HD1 LEU 4 -2.850 -9.413 3.155
28 HD13 LEU 4 1HD1 LEU 4 -4.326 -9.059 4.053
29 HD21 LEU 4 1HD2 LEU 4 -3.904 -6.125 3.342
30 HD22 LEU 4 2HD2 LEU 4 -5.568 -6.543 2.933
31 HD23 LEU 4 3HD2 LEU 4 -4.485 -5.913 1.691
32 H SER 5 H SER 5 -2.046 -5.830 -1.025
33 HA SER 5 HA SER 5 -0.781 -7.494 -3.094
34 HB2 SER 5 2HB SER 5 -0.736 -4.478 -2.847
35 HB3 SER 5 3HB SER 5 -0.146 -5.435 -4.207
36 HG SER 5 HG SER 5 -2.337 -6.164 -4.475
37 H LYS 6 H LYS 6 1.570 -6.533 -3.546
38 HA LYS 6 HA LYS 6 2.973 -6.677 -0.965
39 HB2 LYS 6 2HB LYS 6 4.768 -7.725 -2.045
40 HB3 LYS 6 3HB LYS 6 3.348 -8.435 -2.802
41 HG2 LYS 6 2HG LYS 6 3.833 -6.309 -4.433
42 HG3 LYS 6 3HG LYS 6 5.465 -6.776 -3.950
43 HD2 LYS 6 2HD LYS 6 3.690 -9.004 -4.689
44 HD3 LYS 6 3HD LYS 6 4.093 -7.898 -6.003
45 HE2 LYS 6 2HE LYS 6 6.438 -8.244 -5.658
46 HE3 LYS 6 3HE LYS 6 6.135 -9.171 -4.188
47 HZ1 LYS 6 2HZ LYS 6 6.543 -10.761 -5.821
48 HZ2 LYS 6 3HZ LYS 6 5.623 -9.957 -6.990
49 HZ3 LYS 6 1HZ LYS 6 4.856 -10.741 -5.702
50 H GLU 7 H GLU 7 5.266 -5.622 -1.161
51 HA GLU 7 HA GLU 7 4.976 -2.879 -1.209
52 HB2 GLU 7 2HB GLU 7 7.402 -2.739 -1.190
53 HB3 GLU 7 3HB GLU 7 6.865 -4.053 -0.153
54 HG2 GLU 7 2HG GLU 7 7.250 -5.261 -2.609
55 HG3 GLU 7 3HG GLU 7 8.577 -4.108 -2.483
56 H TYR 8 H TYR 8 5.075 -1.308 -2.712
57 HA TYR 8 HA TYR 8 5.118 -0.283 -4.742
58 HB2 TYR 8 2HB TYR 8 6.927 -2.510 -5.679
59 HB3 TYR 8 3HB TYR 8 6.839 -0.860 -6.287
60 HD1 TYR 8 2HD TYR 8 6.923 0.742 -3.852
61 HD2 TYR 8 1HD TYR 8 9.071 -2.794 -4.843
62 HE1 TYR 8 2HE TYR 8 8.719 1.409 -2.311
63 HE2 TYR 8 1HE TYR 8 10.873 -2.138 -3.303
64 HH TYR 8 HH TYR 8 11.243 -0.732 -1.395
65 H GLU 9 H GLU 9 2.868 -1.561 -4.437
66 HA GLU 9 HA GLU 9 2.356 -2.749 -7.068
67 HB2 GLU 9 2HB GLU 9 2.576 -4.469 -5.134
68 HB3 GLU 9 3HB GLU 9 1.003 -3.864 -4.632
69 HG2 GLU 9 2HG GLU 9 0.828 -5.884 -5.995
70 HG3 GLU 9 3HG GLU 9 0.040 -4.501 -6.752
71 H SER 10 H SER 10 0.167 -2.555 -7.791
72 HA SER 10 HA SER 10 -0.992 -0.083 -7.402
73 HB2 SER 10 2HB SER 10 -2.729 -2.420 -8.111
74 HB3 SER 10 3HB SER 10 -2.713 -0.795 -8.794
75 HG SER 10 HG SER 10 -1.133 -1.345 -10.111
76 H CYS 11 H CYS 11 -2.649 0.730 -6.165
77 HA CYS 11 HA CYS 11 -3.641 -1.003 -3.999
78 HB2 CYS 11 2HB CYS 11 -1.911 0.631 -3.223
79 HB3 CYS 11 3HB CYS 11 -2.975 1.936 -3.739
80 H VAL 12 H VAL 12 -4.467 0.716 -6.668
81 HA VAL 12 HA VAL 12 -6.609 2.304 -6.162
82 HB VAL 12 HB VAL 12 -6.532 0.199 -8.328
83 HG11 VAL 12 2HG1 VAL 12 -7.899 2.034 -9.518
84 HG12 VAL 12 3HG1 VAL 12 -8.711 1.013 -8.331
85 HG13 VAL 12 1HG1 VAL 12 -8.206 2.644 -7.890
86 HG21 VAL 12 1HG2 VAL 12 -4.896 2.506 -7.881
87 HG22 VAL 12 2HG2 VAL 12 -4.824 1.328 -9.192
88 HG23 VAL 12 3HG2 VAL 12 -5.868 2.741 -9.335
89 H ARG 13 H ARG 13 -8.179 1.989 -4.721
90 HA ARG 13 HA ARG 13 -9.080 -0.315 -3.592
91 HB2 ARG 13 2HB ARG 13 -10.403 2.308 -4.143
92 HB3 ARG 13 3HB ARG 13 -11.371 0.990 -3.496
93 HG2 ARG 13 2HG ARG 13 -9.535 0.812 -1.700
94 HG3 ARG 13 3HG ARG 13 -9.068 2.425 -2.241
95 HD2 ARG 13 2HD ARG 13 -11.898 1.763 -1.488
96 HD3 ARG 13 3HD ARG 13 -10.707 2.248 -0.282
97 HE ARG 13 HE ARG 13 -10.633 4.147 -2.302
98 HH11 ARG 13 1HH1 ARG 13 -12.912 2.949 0.042
99 HH12 ARG 13 2HH1 ARG 13 -13.760 4.453 0.179
100 HH21 ARG 13 1HH2 ARG 13 -11.741 6.133 -2.130
101 HH22 ARG 13 2HH2 ARG 13 -13.094 6.264 -1.057
102 HA PRO 14 HA PRO 14 -11.298 -0.923 -2.792
103 HB2 PRO 14 2HB PRO 14 -11.922 -3.557 -2.583
104 HB3 PRO 14 3HB PRO 14 -13.104 -2.323 -3.035
105 HG2 PRO 14 2HG PRO 14 -11.573 -4.210 -4.783
106 HG3 PRO 14 3HG PRO 14 -13.281 -3.745 -4.867
107 HD2 PRO 14 2HD PRO 14 -11.400 -2.677 -6.496
108 HD3 PRO 14 3HD PRO 14 -12.818 -1.762 -5.947
109 H ARG 15 H ARG 15 -9.068 -2.396 -4.851
110 HA ARG 15 HA ARG 15 -7.678 -4.244 -3.426
111 HB2 ARG 15 2HB ARG 15 -6.389 -1.980 -4.959
112 HB3 ARG 15 3HB ARG 15 -5.676 -3.549 -4.611
113 HG2 ARG 15 2HG ARG 15 -7.436 -4.614 -5.977
114 HG3 ARG 15 3HG ARG 15 -8.049 -3.009 -6.382
115 HD2 ARG 15 2HD ARG 15 -6.294 -2.535 -7.757
116 HD3 ARG 15 3HD ARG 15 -5.166 -3.529 -6.838
117 HE ARG 15 HE ARG 15 -5.735 -5.338 -8.140
118 HH11 ARG 15 1HH1 ARG 15 -7.970 -2.730 -8.706
119 HH12 ARG 15 2HH1 ARG 15 -8.709 -3.486 -10.078
120 HH21 ARG 15 1HH2 ARG 15 -6.700 -6.345 -9.945
121 HH22 ARG 15 2HH2 ARG 15 -7.986 -5.544 -10.781
122 H LYS 16 H LYS 16 -5.805 -4.159 -2.051
123 HA LYS 16 HA LYS 16 -5.355 -1.673 -0.592
124 HB2 LYS 16 2HB LYS 16 -6.572 -4.146 0.551
125 HB3 LYS 16 3HB LYS 16 -5.444 -3.237 1.549
126 HG2 LYS 16 2HG LYS 16 -7.740 -1.869 0.205
127 HG3 LYS 16 3HG LYS 16 -7.959 -2.729 1.732
128 HD2 LYS 16 2HD LYS 16 -5.752 -0.731 1.441
129 HD3 LYS 16 3HD LYS 16 -7.402 -0.185 1.747
130 HE2 LYS 16 2HE LYS 16 -6.667 -0.395 3.896
131 HE3 LYS 16 3HE LYS 16 -7.280 -2.028 3.636
132 HZ1 LYS 16 2HZ LYS 16 -5.265 -2.834 3.992
133 HZ2 LYS 16 3HZ LYS 16 -4.705 -1.279 4.349
134 HZ3 LYS 16 1HZ LYS 16 -4.603 -1.873 2.767
135 H CYS 17 H CYS 17 -3.465 -1.812 0.856
136 HA CYS 17 HA CYS 17 -1.511 -3.776 -0.148
137 HB2 CYS 17 2HB CYS 17 -1.114 -0.917 0.746
138 HB3 CYS 17 3HB CYS 17 0.212 -2.036 0.446
139 H LYS 18 H LYS 18 -1.065 -5.277 1.311
140 HA LYS 18 HA LYS 18 -1.752 -5.274 3.983
141 HB2 LYS 18 2HB LYS 18 -1.145 -7.325 2.901
142 HB3 LYS 18 3HB LYS 18 0.473 -6.731 2.556
143 HG2 LYS 18 2HG LYS 18 0.794 -6.599 5.073
144 HG3 LYS 18 3HG LYS 18 -0.685 -7.552 5.198
145 HD2 LYS 18 2HD LYS 18 1.721 -8.385 3.586
146 HD3 LYS 18 3HD LYS 18 1.431 -8.890 5.252
147 HE2 LYS 18 2HE LYS 18 -0.452 -10.141 4.668
148 HE3 LYS 18 3HE LYS 18 -0.637 -9.312 3.123
149 HZ1 LYS 18 2HZ LYS 18 1.633 -10.368 2.597
150 HZ2 LYS 18 3HZ LYS 18 0.252 -11.342 2.528
151 HZ3 LYS 18 1HZ LYS 18 1.279 -11.422 3.871
152 HA PRO 19 HA PRO 19 1.070 -2.497 5.922
153 HB2 PRO 19 2HB PRO 19 0.842 -3.409 8.470
154 HB3 PRO 19 3HB PRO 19 -0.417 -2.457 7.674
155 HG2 PRO 19 2HG PRO 19 -0.243 -5.420 8.061
156 HG3 PRO 19 3HG PRO 19 -1.643 -4.347 8.251
157 HD2 PRO 19 2HD PRO 19 -1.261 -5.867 6.042
158 HD3 PRO 19 3HD PRO 19 -2.058 -4.282 5.984
159 HA PRO 20 HA PRO 20 2.147 -1.955 8.155
160 HB2 PRO 20 2HB PRO 20 4.559 -0.707 8.133
161 HB3 PRO 20 3HB PRO 20 4.107 -1.905 9.353
162 HG2 PRO 20 2HG PRO 20 5.775 -2.245 6.889
163 HG3 PRO 20 3HG PRO 20 6.047 -2.884 8.522
164 HD2 PRO 20 2HD PRO 20 5.013 -4.389 6.522
165 HD3 PRO 20 3HD PRO 20 4.565 -4.624 8.224
166 H LEU 21 H LEU 21 3.362 -2.594 5.061
167 HA LEU 21 HA LEU 21 3.874 -0.209 3.858
168 HB2 LEU 21 2HB LEU 21 2.034 -2.222 2.601
169 HB3 LEU 21 3HB LEU 21 3.191 -1.157 1.807
170 HG LEU 21 HG LEU 21 3.867 -3.543 3.527
171 HD11 LEU 21 2HD1 LEU 21 4.828 -4.313 1.280
172 HD12 LEU 21 3HD1 LEU 21 3.784 -3.085 0.564
173 HD13 LEU 21 1HD1 LEU 21 3.082 -4.401 1.506
174 HD21 LEU 21 1HD2 LEU 21 5.481 -1.629 3.633
175 HD22 LEU 21 2HD2 LEU 21 5.722 -1.818 1.896
176 HD23 LEU 21 3HD2 LEU 21 6.150 -3.130 2.994
177 H LYS 22 H LYS 22 2.735 1.507 3.040
178 HA LYS 22 HA LYS 22 -0.148 1.596 3.639
179 HB2 LYS 22 2HB LYS 22 1.900 3.776 4.073
180 HB3 LYS 22 3HB LYS 22 0.162 4.028 4.161
181 HG2 LYS 22 2HG LYS 22 1.277 1.863 5.836
182 HG3 LYS 22 3HG LYS 22 1.671 3.520 6.299
183 HD2 LYS 22 2HD LYS 22 -0.871 3.940 6.021
184 HD3 LYS 22 3HD LYS 22 -1.006 2.184 6.136
185 HE2 LYS 22 2HE LYS 22 0.030 2.189 8.300
186 HE3 LYS 22 3HE LYS 22 0.400 3.907 8.170
187 HZ1 LYS 22 2HZ LYS 22 -1.723 4.496 8.639
188 HZ2 LYS 22 3HZ LYS 22 -1.704 3.021 9.467
189 HZ3 LYS 22 1HZ LYS 22 -2.401 3.119 7.928
190 H CYS 23 H CYS 23 -1.380 3.091 2.322
191 HA CYS 23 HA CYS 23 -0.276 3.273 -0.385
192 HB2 CYS 23 2HB CYS 23 -3.123 3.492 0.615
193 HB3 CYS 23 3HB CYS 23 -2.639 3.623 -1.073
194 H ASN 24 H ASN 24 -0.116 5.171 -1.502
195 HA ASN 24 HA ASN 24 -0.783 7.633 -0.025
196 HB2 ASN 24 2HB ASN 24 1.220 8.670 -0.770
197 HB3 ASN 24 3HB ASN 24 1.695 7.077 -0.186
198 HD21 ASN 24 1HD2 ASN 24 1.809 5.362 -1.874
199 HD22 ASN 24 2HD2 ASN 24 2.453 5.807 -3.414
200 H LYS 25 H LYS 25 -0.208 9.486 -1.954
201 HA LYS 25 HA LYS 25 -2.517 9.542 -3.505
202 HB2 LYS 25 2HB LYS 25 0.107 10.980 -3.934
203 HB3 LYS 25 3HB LYS 25 -1.391 11.371 -4.769
204 HG2 LYS 25 2HG LYS 25 -2.427 12.083 -2.759
205 HG3 LYS 25 3HG LYS 25 -1.116 11.429 -1.776
206 HD2 LYS 25 2HD LYS 25 -0.629 13.696 -1.823
207 HD3 LYS 25 3HD LYS 25 0.380 13.060 -3.125
208 HE2 LYS 25 2HE LYS 25 -0.593 14.909 -4.117
209 HE3 LYS 25 3HE LYS 25 -1.664 13.605 -4.628
210 HZ1 LYS 25 2HZ LYS 25 -2.789 14.376 -2.317
211 HZ2 LYS 25 3HZ LYS 25 -3.258 14.942 -3.840
212 HZ3 LYS 25 1HZ LYS 25 -2.193 15.851 -2.890
213 H ALA 26 H ALA 26 0.521 8.003 -4.087
214 HA ALA 26 HA ALA 26 0.116 7.698 -6.929
215 HB1 ALA 26 2HB ALA 26 2.215 6.926 -4.981
216 HB2 ALA 26 3HB ALA 26 2.091 5.987 -6.469
217 HB3 ALA 26 1HB ALA 26 2.357 7.729 -6.545
218 H GLN 27 H GLN 27 -1.639 6.498 -4.618
219 HA GLN 27 HA GLN 27 -2.668 4.499 -4.113
220 HB2 GLN 27 2HB GLN 27 -3.652 3.479 -6.259
221 HB3 GLN 27 3HB GLN 27 -4.085 5.136 -5.861
222 HG2 GLN 27 2HG GLN 27 -2.353 5.930 -7.428
223 HG3 GLN 27 3HG GLN 27 -2.029 4.254 -7.872
224 HE21 GLN 27 1HE2 GLN 27 -4.807 6.440 -7.529
225 HE22 GLN 27 2HE2 GLN 27 -5.592 5.945 -8.986
226 H ILE 28 H ILE 28 -0.072 3.985 -3.805
227 HA ILE 28 HA ILE 28 0.185 1.277 -4.899
228 HB ILE 28 HB ILE 28 2.646 1.629 -5.157
229 HG12 ILE 28 2HG1 ILE 28 1.968 4.571 -5.065
230 HG13 ILE 28 3HG1 ILE 28 2.670 3.702 -3.705
231 HG21 ILE 28 1HG2 ILE 28 2.104 3.389 -7.185
232 HG22 ILE 28 2HG2 ILE 28 1.885 1.642 -7.258
233 HG23 ILE 28 3HG2 ILE 28 0.522 2.685 -6.855
234 HD11 ILE 28 2HD1 ILE 28 4.486 4.711 -4.745
235 HD12 ILE 28 3HD1 ILE 28 4.531 3.050 -5.333
236 HD13 ILE 28 1HD1 ILE 28 3.892 4.332 -6.362
237 H CYS 29 H CYS 29 1.986 0.064 -3.724
238 HA CYS 29 HA CYS 29 1.576 0.454 -0.871
239 HB2 CYS 29 2HB CYS 29 3.142 -1.773 -2.165
240 HB3 CYS 29 3HB CYS 29 2.360 -1.767 -0.587
241 H VAL 30 H VAL 30 2.961 1.566 0.321
242 HA VAL 30 HA VAL 30 5.825 1.346 -0.198
243 HB VAL 30 HB VAL 30 5.390 3.311 -1.443
244 HG11 VAL 30 2HG1 VAL 30 4.239 5.248 0.035
245 HG12 VAL 30 3HG1 VAL 30 3.343 4.177 -1.044
246 HG13 VAL 30 1HG1 VAL 30 3.415 3.829 0.683
247 HG21 VAL 30 1HG2 VAL 30 6.185 4.378 1.253
248 HG22 VAL 30 2HG2 VAL 30 7.254 3.367 0.281
249 HG23 VAL 30 3HG2 VAL 30 6.709 4.925 -0.339
250 H ASP 31 H ASP 31 7.040 1.390 1.621
251 HA ASP 31 HA ASP 31 5.957 0.898 4.104
252 HB2 ASP 31 2HB ASP 31 8.566 1.291 3.024
253 HB3 ASP 31 3HB ASP 31 8.446 2.228 4.511
254 HA PRO 32 HA PRO 32 4.508 4.740 5.672
255 HB2 PRO 32 2HB PRO 32 4.743 4.268 8.334
256 HB3 PRO 32 3HB PRO 32 3.496 3.516 7.332
257 HG2 PRO 32 2HG PRO 32 6.104 2.389 8.272
258 HG3 PRO 32 3HG PRO 32 4.510 1.617 8.211
259 HD2 PRO 32 2HD PRO 32 6.415 1.175 6.339
260 HD3 PRO 32 3HD PRO 32 4.681 1.154 5.959
261 H ASN 33 H ASN 33 7.442 3.503 7.275
262 HA ASN 33 HA ASN 33 8.327 6.236 7.787
263 HB2 ASN 33 2HB ASN 33 9.493 3.567 8.611
264 HB3 ASN 33 3HB ASN 33 10.167 5.133 9.057
265 HD21 ASN 33 1HD2 ASN 33 7.967 2.711 9.850
266 HD22 ASN 33 2HD2 ASN 33 7.153 3.525 11.139
267 H LYS 34 H LYS 34 8.231 5.648 5.096
268 HA LYS 34 HA LYS 34 10.945 4.980 4.261
269 HB2 LYS 34 2HB LYS 34 8.755 4.182 3.117
270 HB3 LYS 34 3HB LYS 34 8.724 5.792 2.409
271 HG2 LYS 34 2HG LYS 34 11.164 5.229 1.698
272 HG3 LYS 34 3HG LYS 34 10.648 3.560 1.954
273 HD2 LYS 34 2HD LYS 34 9.296 3.565 0.143
274 HD3 LYS 34 3HD LYS 34 8.800 5.241 0.390
275 HE2 LYS 34 2HE LYS 34 10.046 5.134 -1.646
276 HE3 LYS 34 3HE LYS 34 11.044 5.949 -0.442
277 HZ1 LYS 34 2HZ LYS 34 11.603 3.232 -0.269
278 HZ2 LYS 34 3HZ LYS 34 12.615 4.462 -0.838
279 HZ3 LYS 34 1HZ LYS 34 11.617 3.620 -1.915
280 H GLY 35 H GLY 35 8.620 7.652 3.855
281 HA2 GLY 35 2HA GLY 35 10.123 9.794 4.429
282 HA3 GLY 35 3HA GLY 35 10.714 9.382 2.827
283 H TRP 36 H TRP 36 8.061 8.416 1.967
284 HA TRP 36 HA TRP 36 7.107 10.716 0.740
285 HB2 TRP 36 2HB TRP 36 5.212 9.416 0.049
286 HB3 TRP 36 3HB TRP 36 6.612 8.349 0.065
287 HD1 TRP 36 1HD TRP 36 6.743 6.551 2.118
288 HE1 TRP 36 1HE TRP 36 4.860 5.443 3.477
289 HE3 TRP 36 3HE TRP 36 2.931 9.768 0.997
290 HZ2 TRP 36 2HZ TRP 36 2.120 5.875 4.004
291 HZ3 TRP 36 3HZ TRP 36 0.709 9.350 1.970
292 HH2 TRP 36 2HH TRP 36 0.315 7.442 3.441
Start of MODEL 8
1 H1 ASP 1 H ASP 1 -14.512 -9.229 -1.885
2 HA ASP 1 HA ASP 1 -13.049 -6.718 -2.319
3 HB2 ASP 1 2HB ASP 1 -13.765 -7.470 0.029
4 HB3 ASP 1 3HB ASP 1 -12.513 -8.701 -0.115
5 H PHE 2 H PHE 2 -10.749 -6.776 -2.563
6 HA PHE 2 HA PHE 2 -9.843 -9.217 -3.923
7 HB2 PHE 2 2HB PHE 2 -9.220 -6.315 -4.241
8 HB3 PHE 2 3HB PHE 2 -7.971 -7.485 -4.655
9 HD1 PHE 2 1HD PHE 2 -9.224 -9.625 -5.969
10 HD2 PHE 2 2HD PHE 2 -10.266 -5.499 -6.102
11 HE1 PHE 2 1HE PHE 2 -10.271 -9.963 -8.169
12 HE2 PHE 2 2HE PHE 2 -11.316 -5.832 -8.302
13 HZ PHE 2 HZ PHE 2 -11.320 -8.067 -9.339
14 HA PRO 3 HA PRO 3 -6.758 -10.116 -0.939
15 HB2 PRO 3 2HB PRO 3 -4.663 -10.897 -2.479
16 HB3 PRO 3 3HB PRO 3 -6.119 -11.878 -2.270
17 HG2 PRO 3 2HG PRO 3 -5.364 -10.066 -4.530
18 HG3 PRO 3 3HG PRO 3 -6.092 -11.682 -4.587
19 HD2 PRO 3 2HD PRO 3 -7.544 -9.419 -4.901
20 HD3 PRO 3 3HD PRO 3 -8.208 -10.882 -4.146
21 H LEU 4 H LEU 4 -4.626 -9.537 -0.116
22 HA LEU 4 HA LEU 4 -4.088 -6.753 -0.441
23 HB2 LEU 4 2HB LEU 4 -2.509 -8.855 1.033
24 HB3 LEU 4 3HB LEU 4 -2.318 -7.111 1.199
25 HG LEU 4 HG LEU 4 -4.906 -8.488 1.859
26 HD11 LEU 4 2HD1 LEU 4 -2.966 -7.794 4.000
27 HD12 LEU 4 3HD1 LEU 4 -2.726 -9.297 3.109
28 HD13 LEU 4 1HD1 LEU 4 -4.237 -9.016 3.974
29 HD21 LEU 4 1HD2 LEU 4 -5.391 -6.525 3.076
30 HD22 LEU 4 2HD2 LEU 4 -4.740 -5.984 1.529
31 HD23 LEU 4 3HD2 LEU 4 -3.724 -5.956 2.972
32 H SER 5 H SER 5 -2.106 -5.790 -1.108
33 HA SER 5 HA SER 5 -0.737 -7.352 -3.187
34 HB2 SER 5 2HB SER 5 -0.464 -4.381 -2.983
35 HB3 SER 5 3HB SER 5 -0.459 -5.411 -4.415
36 HG SER 5 HG SER 5 -2.397 -4.304 -4.346
37 H LYS 6 H LYS 6 1.582 -6.775 -3.547
38 HA LYS 6 HA LYS 6 2.963 -6.793 -0.979
39 HB2 LYS 6 2HB LYS 6 4.803 -7.732 -2.099
40 HB3 LYS 6 3HB LYS 6 3.402 -8.459 -2.875
41 HG2 LYS 6 2HG LYS 6 3.826 -6.245 -4.419
42 HG3 LYS 6 3HG LYS 6 5.468 -6.718 -3.976
43 HD2 LYS 6 2HD LYS 6 3.673 -8.906 -4.814
44 HD3 LYS 6 3HD LYS 6 4.125 -7.753 -6.071
45 HE2 LYS 6 2HE LYS 6 5.903 -9.132 -6.288
46 HE3 LYS 6 3HE LYS 6 6.529 -8.165 -4.954
47 HZ1 LYS 6 2HZ LYS 6 4.926 -10.561 -4.376
48 HZ2 LYS 6 3HZ LYS 6 6.133 -9.828 -3.443
49 HZ3 LYS 6 1HZ LYS 6 6.551 -10.736 -4.808
50 H GLU 7 H GLU 7 5.248 -5.688 -1.129
51 HA GLU 7 HA GLU 7 4.898 -2.952 -1.032
52 HB2 GLU 7 2HB GLU 7 7.262 -2.752 -0.860
53 HB3 GLU 7 3HB GLU 7 6.829 -4.276 -0.098
54 HG2 GLU 7 2HG GLU 7 7.311 -5.047 -2.669
55 HG3 GLU 7 3HG GLU 7 8.483 -3.750 -2.443
56 H TYR 8 H TYR 8 5.094 -1.273 -2.435
57 HA TYR 8 HA TYR 8 5.055 -0.159 -4.417
58 HB2 TYR 8 2HB TYR 8 6.979 -2.278 -5.384
59 HB3 TYR 8 3HB TYR 8 6.799 -0.639 -6.000
60 HD1 TYR 8 1HD TYR 8 6.787 1.006 -3.618
61 HD2 TYR 8 2HD TYR 8 9.103 -2.457 -4.482
62 HE1 TYR 8 1HE TYR 8 8.524 1.786 -2.060
63 HE2 TYR 8 2HE TYR 8 10.846 -1.687 -2.927
64 HH TYR 8 HH TYR 8 11.344 1.147 -1.981
65 H GLU 9 H GLU 9 2.843 -1.496 -4.232
66 HA GLU 9 HA GLU 9 2.432 -2.619 -6.912
67 HB2 GLU 9 2HB GLU 9 2.592 -4.363 -4.983
68 HB3 GLU 9 3HB GLU 9 0.987 -3.786 -4.557
69 HG2 GLU 9 2HG GLU 9 0.811 -5.753 -5.927
70 HG3 GLU 9 3HG GLU 9 0.202 -4.357 -6.812
71 H SER 10 H SER 10 0.272 -2.425 -7.714
72 HA SER 10 HA SER 10 -0.920 0.030 -7.329
73 HB2 SER 10 2HB SER 10 -2.260 -2.517 -8.272
74 HB3 SER 10 3HB SER 10 -2.869 -0.882 -8.527
75 HG SER 10 HG SER 10 -1.772 -1.267 -10.345
76 H CYS 11 H CYS 11 -2.572 0.833 -6.101
77 HA CYS 11 HA CYS 11 -3.640 -0.941 -4.002
78 HB2 CYS 11 2HB CYS 11 -1.942 0.713 -3.172
79 HB3 CYS 11 3HB CYS 11 -3.027 2.003 -3.682
80 H VAL 12 H VAL 12 -4.403 0.784 -6.681
81 HA VAL 12 HA VAL 12 -6.574 2.352 -6.219
82 HB VAL 12 HB VAL 12 -6.432 0.277 -8.411
83 HG11 VAL 12 2HG1 VAL 12 -8.474 1.063 -8.875
84 HG12 VAL 12 3HG1 VAL 12 -8.288 2.441 -7.788
85 HG13 VAL 12 1HG1 VAL 12 -7.642 2.519 -9.428
86 HG21 VAL 12 1HG2 VAL 12 -4.510 1.392 -8.861
87 HG22 VAL 12 2HG2 VAL 12 -5.629 2.535 -9.604
88 HG23 VAL 12 3HG2 VAL 12 -5.011 2.836 -7.980
89 H ARG 13 H ARG 13 -8.183 1.998 -4.831
90 HA ARG 13 HA ARG 13 -9.095 -0.327 -3.762
91 HB2 ARG 13 2HB ARG 13 -10.441 2.280 -4.336
92 HB3 ARG 13 3HB ARG 13 -11.404 0.943 -3.723
93 HG2 ARG 13 2HG ARG 13 -9.613 0.789 -1.877
94 HG3 ARG 13 3HG ARG 13 -9.164 2.414 -2.397
95 HD2 ARG 13 2HD ARG 13 -11.951 1.598 -1.592
96 HD3 ARG 13 3HD ARG 13 -10.787 2.352 -0.504
97 HE ARG 13 HE ARG 13 -10.945 4.024 -2.676
98 HH11 ARG 13 1HH1 ARG 13 -13.171 2.746 -0.323
99 HH12 ARG 13 2HH1 ARG 13 -14.219 4.124 -0.374
100 HH21 ARG 13 1HH2 ARG 13 -12.318 5.844 -2.752
101 HH22 ARG 13 2HH2 ARG 13 -13.734 5.886 -1.757
102 HA PRO 14 HA PRO 14 -11.311 -0.997 -3.043
103 HB2 PRO 14 2HB PRO 14 -11.883 -3.647 -2.895
104 HB3 PRO 14 3HB PRO 14 -13.078 -2.431 -3.360
105 HG2 PRO 14 2HG PRO 14 -11.458 -4.253 -5.096
106 HG3 PRO 14 3HG PRO 14 -13.174 -3.823 -5.220
107 HD2 PRO 14 2HD PRO 14 -11.270 -2.688 -6.776
108 HD3 PRO 14 3HD PRO 14 -12.724 -1.813 -6.254
109 H ARG 15 H ARG 15 -8.990 -2.382 -5.061
110 HA ARG 15 HA ARG 15 -7.604 -4.223 -3.615
111 HB2 ARG 15 2HB ARG 15 -6.320 -1.929 -5.107
112 HB3 ARG 15 3HB ARG 15 -5.590 -3.489 -4.753
113 HG2 ARG 15 2HG ARG 15 -7.289 -4.574 -6.168
114 HG3 ARG 15 3HG ARG 15 -7.940 -2.984 -6.565
115 HD2 ARG 15 2HD ARG 15 -6.125 -2.412 -7.853
116 HD3 ARG 15 3HD ARG 15 -5.036 -3.497 -6.988
117 HE ARG 15 HE ARG 15 -6.723 -5.203 -8.217
118 HH11 ARG 15 1HH1 ARG 15 -4.856 -2.492 -9.351
119 HH12 ARG 15 2HH1 ARG 15 -4.645 -3.137 -10.945
120 HH21 ARG 15 1HH2 ARG 15 -6.453 -6.062 -10.312
121 HH22 ARG 15 2HH2 ARG 15 -5.554 -5.167 -11.491
122 H LYS 16 H LYS 16 -5.715 -4.080 -2.234
123 HA LYS 16 HA LYS 16 -5.358 -1.603 -0.747
124 HB2 LYS 16 2HB LYS 16 -6.656 -4.039 0.326
125 HB3 LYS 16 3HB LYS 16 -5.450 -3.286 1.361
126 HG2 LYS 16 2HG LYS 16 -6.688 -1.377 1.652
127 HG3 LYS 16 3HG LYS 16 -7.570 -1.589 0.138
128 HD2 LYS 16 2HD LYS 16 -9.188 -2.126 1.692
129 HD3 LYS 16 3HD LYS 16 -8.518 -3.717 1.320
130 HE2 LYS 16 2HE LYS 16 -8.637 -3.679 3.653
131 HE3 LYS 16 3HE LYS 16 -6.949 -3.310 3.303
132 HZ1 LYS 16 2HZ LYS 16 -9.024 -1.261 3.860
133 HZ2 LYS 16 3HZ LYS 16 -7.361 -1.000 3.686
134 HZ3 LYS 16 1HZ LYS 16 -7.948 -1.865 5.017
135 H CYS 17 H CYS 17 -3.531 -1.793 0.832
136 HA CYS 17 HA CYS 17 -1.510 -3.689 -0.173
137 HB2 CYS 17 2HB CYS 17 -1.194 -0.833 0.758
138 HB3 CYS 17 3HB CYS 17 0.167 -1.925 0.519
139 H LYS 18 H LYS 18 -1.100 -5.210 1.277
140 HA LYS 18 HA LYS 18 -1.860 -5.259 3.926
141 HB2 LYS 18 2HB LYS 18 -1.180 -7.281 2.831
142 HB3 LYS 18 3HB LYS 18 0.437 -6.652 2.548
143 HG2 LYS 18 2HG LYS 18 0.678 -6.557 5.074
144 HG3 LYS 18 3HG LYS 18 -0.792 -7.533 5.140
145 HD2 LYS 18 2HD LYS 18 1.635 -8.327 3.543
146 HD3 LYS 18 3HD LYS 18 1.393 -8.806 5.224
147 HE2 LYS 18 2HE LYS 18 -0.734 -9.869 4.591
148 HE3 LYS 18 3HE LYS 18 -0.441 -9.426 2.911
149 HZ1 LYS 18 2HZ LYS 18 1.384 -11.135 4.508
150 HZ2 LYS 18 3HZ LYS 18 1.460 -10.834 2.845
151 HZ3 LYS 18 1HZ LYS 18 0.183 -11.742 3.484
152 HA PRO 19 HA PRO 19 0.847 -2.462 5.995
153 HB2 PRO 19 2HB PRO 19 0.550 -3.415 8.520
154 HB3 PRO 19 3HB PRO 19 -0.697 -2.473 7.697
155 HG2 PRO 19 2HG PRO 19 -0.485 -5.439 8.047
156 HG3 PRO 19 3HG PRO 19 -1.908 -4.393 8.206
157 HD2 PRO 19 2HD PRO 19 -1.427 -5.872 5.989
158 HD3 PRO 19 3HD PRO 19 -2.250 -4.301 5.928
159 HA PRO 20 HA PRO 20 1.839 -1.934 8.271
160 HB2 PRO 20 2HB PRO 20 4.228 -0.645 8.348
161 HB3 PRO 20 3HB PRO 20 3.758 -1.869 9.534
162 HG2 PRO 20 2HG PRO 20 5.511 -2.143 7.123
163 HG3 PRO 20 3HG PRO 20 5.740 -2.801 8.754
164 HD2 PRO 20 2HD PRO 20 4.800 -4.294 6.699
165 HD3 PRO 20 3HD PRO 20 4.300 -4.562 8.381
166 H LEU 21 H LEU 21 3.167 -2.505 5.209
167 HA LEU 21 HA LEU 21 3.678 -0.096 4.057
168 HB2 LEU 21 2HB LEU 21 1.904 -2.116 2.715
169 HB3 LEU 21 3HB LEU 21 3.071 -1.023 1.973
170 HG LEU 21 HG LEU 21 3.722 -3.429 3.675
171 HD11 LEU 21 2HD1 LEU 21 3.002 -4.244 1.604
172 HD12 LEU 21 3HD1 LEU 21 4.758 -4.168 1.463
173 HD13 LEU 21 1HD1 LEU 21 3.759 -2.919 0.719
174 HD21 LEU 21 1HD2 LEU 21 5.784 -2.640 3.894
175 HD22 LEU 21 2HD2 LEU 21 5.240 -1.116 3.192
176 HD23 LEU 21 3HD2 LEU 21 5.910 -2.376 2.154
177 H LYS 22 H LYS 22 2.558 1.641 3.301
178 HA LYS 22 HA LYS 22 -0.348 1.676 3.789
179 HB2 LYS 22 2HB LYS 22 1.595 3.950 4.240
180 HB3 LYS 22 3HB LYS 22 -0.149 4.034 4.453
181 HG2 LYS 22 2HG LYS 22 1.703 2.251 6.021
182 HG3 LYS 22 3HG LYS 22 1.060 3.797 6.576
183 HD2 LYS 22 2HD LYS 22 -1.241 2.848 6.240
184 HD3 LYS 22 3HD LYS 22 -0.480 1.283 5.948
185 HE2 LYS 22 2HE LYS 22 -1.177 1.396 8.246
186 HE3 LYS 22 3HE LYS 22 0.585 1.438 8.179
187 HZ1 LYS 22 2HZ LYS 22 -0.548 3.069 9.725
188 HZ2 LYS 22 3HZ LYS 22 -1.030 3.910 8.340
189 HZ3 LYS 22 1HZ LYS 22 0.616 3.706 8.677
190 H CYS 23 H CYS 23 -1.594 3.024 2.408
191 HA CYS 23 HA CYS 23 -0.402 3.320 -0.241
192 HB2 CYS 23 2HB CYS 23 -3.280 3.473 0.679
193 HB3 CYS 23 3HB CYS 23 -2.752 3.638 -0.993
194 H ASN 24 H ASN 24 -0.310 5.235 -1.363
195 HA ASN 24 HA ASN 24 -1.046 7.666 0.129
196 HB2 ASN 24 2HB ASN 24 0.954 8.756 -0.566
197 HB3 ASN 24 3HB ASN 24 1.441 7.183 0.055
198 HD21 ASN 24 1HD2 ASN 24 1.579 5.442 -1.645
199 HD22 ASN 24 2HD2 ASN 24 2.300 5.886 -3.151
200 H LYS 25 H LYS 25 -0.457 9.552 -1.762
201 HA LYS 25 HA LYS 25 -2.717 9.564 -3.387
202 HB2 LYS 25 2HB LYS 25 -0.137 11.071 -3.851
203 HB3 LYS 25 3HB LYS 25 -1.714 11.484 -4.511
204 HG2 LYS 25 2HG LYS 25 -2.551 12.094 -2.390
205 HG3 LYS 25 3HG LYS 25 -1.172 11.370 -1.559
206 HD2 LYS 25 2HD LYS 25 0.297 13.048 -2.667
207 HD3 LYS 25 3HD LYS 25 -1.149 13.813 -3.329
208 HE2 LYS 25 2HE LYS 25 -1.971 14.061 -0.967
209 HE3 LYS 25 3HE LYS 25 -0.380 13.524 -0.431
210 HZ1 LYS 25 2HZ LYS 25 -1.201 16.085 -1.428
211 HZ2 LYS 25 3HZ LYS 25 0.185 15.499 -2.201
212 HZ3 LYS 25 1HZ LYS 25 0.161 15.668 -0.517
213 H ALA 26 H ALA 26 0.368 8.098 -3.875
214 HA ALA 26 HA ALA 26 0.076 7.830 -6.737
215 HB1 ALA 26 2HB ALA 26 2.302 7.943 -6.208
216 HB2 ALA 26 3HB ALA 26 2.112 7.008 -4.725
217 HB3 ALA 26 1HB ALA 26 2.081 6.194 -6.290
218 H GLN 27 H GLN 27 -1.728 6.556 -4.502
219 HA GLN 27 HA GLN 27 -2.730 4.527 -4.062
220 HB2 GLN 27 2HB GLN 27 -3.598 3.508 -6.264
221 HB3 GLN 27 3HB GLN 27 -4.100 5.142 -5.851
222 HG2 GLN 27 2HG GLN 27 -2.338 6.023 -7.336
223 HG3 GLN 27 3HG GLN 27 -1.941 4.370 -7.798
224 HE21 GLN 27 1HE2 GLN 27 -4.783 6.481 -7.540
225 HE22 GLN 27 2HE2 GLN 27 -5.503 5.979 -9.028
226 H ILE 28 H ILE 28 -0.130 4.076 -3.669
227 HA ILE 28 HA ILE 28 0.224 1.380 -4.760
228 HB ILE 28 HB ILE 28 2.679 1.789 -4.975
229 HG12 ILE 28 2HG1 ILE 28 1.968 4.720 -4.951
230 HG13 ILE 28 3HG1 ILE 28 2.572 3.888 -3.521
231 HG21 ILE 28 1HG2 ILE 28 2.249 1.994 -7.142
232 HG22 ILE 28 2HG2 ILE 28 0.589 2.435 -6.741
233 HG23 ILE 28 3HG2 ILE 28 1.814 3.690 -6.932
234 HD11 ILE 28 2HD1 ILE 28 3.978 4.488 -6.087
235 HD12 ILE 28 3HD1 ILE 28 4.466 4.851 -4.431
236 HD13 ILE 28 1HD1 ILE 28 4.536 3.194 -5.027
237 H CYS 29 H CYS 29 2.035 0.216 -3.546
238 HA CYS 29 HA CYS 29 1.558 0.605 -0.702
239 HB2 CYS 29 2HB CYS 29 3.217 -1.586 -1.937
240 HB3 CYS 29 3HB CYS 29 2.369 -1.595 -0.394
241 H VAL 30 H VAL 30 2.894 1.753 0.514
242 HA VAL 30 HA VAL 30 5.771 1.600 0.058
243 HB VAL 30 HB VAL 30 5.983 4.088 0.305
244 HG11 VAL 30 2HG1 VAL 30 4.418 3.527 -2.177
245 HG12 VAL 30 3HG1 VAL 30 5.910 4.447 -1.971
246 HG13 VAL 30 1HG1 VAL 30 5.943 2.685 -1.893
247 HG21 VAL 30 1HG2 VAL 30 3.871 4.687 1.216
248 HG22 VAL 30 2HG2 VAL 30 3.955 5.408 -0.391
249 HG23 VAL 30 3HG2 VAL 30 3.006 3.944 -0.129
250 H ASP 31 H ASP 31 6.737 1.235 1.934
251 HA ASP 31 HA ASP 31 5.505 1.062 4.385
252 HB2 ASP 31 2HB ASP 31 8.395 1.572 3.686
253 HB3 ASP 31 3HB ASP 31 7.856 1.306 5.341
254 HA PRO 32 HA PRO 32 4.887 5.150 5.867
255 HB2 PRO 32 2HB PRO 32 5.052 4.724 8.543
256 HB3 PRO 32 3HB PRO 32 3.671 4.203 7.571
257 HG2 PRO 32 2HG PRO 32 6.014 2.611 8.536
258 HG3 PRO 32 3HG PRO 32 4.297 2.168 8.506
259 HD2 PRO 32 2HD PRO 32 6.059 1.300 6.641
260 HD3 PRO 32 3HD PRO 32 4.351 1.611 6.270
261 H ASN 33 H ASN 33 7.773 3.391 6.622
262 HA ASN 33 HA ASN 33 9.089 5.841 7.569
263 HB2 ASN 33 2HB ASN 33 10.892 4.328 8.355
264 HB3 ASN 33 3HB ASN 33 9.331 3.950 9.077
265 HD21 ASN 33 1HD2 ASN 33 8.352 2.023 8.631
266 HD22 ASN 33 2HD2 ASN 33 9.124 0.747 7.759
267 H LYS 34 H LYS 34 8.424 5.137 4.749
268 HA LYS 34 HA LYS 34 10.945 4.559 3.479
269 HB2 LYS 34 2HB LYS 34 8.455 4.120 2.672
270 HB3 LYS 34 3HB LYS 34 8.649 5.721 1.970
271 HG2 LYS 34 2HG LYS 34 9.205 4.118 0.305
272 HG3 LYS 34 3HG LYS 34 10.704 4.892 0.827
273 HD2 LYS 34 2HD LYS 34 11.417 2.744 0.935
274 HD3 LYS 34 3HD LYS 34 10.664 2.821 2.529
275 HE2 LYS 34 2HE LYS 34 8.596 1.892 1.575
276 HE3 LYS 34 3HE LYS 34 9.386 1.779 0.002
277 HZ1 LYS 34 2HZ LYS 34 9.356 -0.150 1.931
278 HZ2 LYS 34 3HZ LYS 34 10.905 0.518 2.069
279 HZ3 LYS 34 1HZ LYS 34 10.380 -0.104 0.586
280 H GLY 35 H GLY 35 8.790 7.399 3.612
281 HA2 GLY 35 2HA GLY 35 10.003 9.526 4.163
282 HA3 GLY 35 3HA GLY 35 11.129 9.059 2.898
283 H TRP 36 H TRP 36 7.661 8.604 2.675
284 HA TRP 36 HA TRP 36 7.639 10.423 0.377
285 HB2 TRP 36 2HB TRP 36 5.473 9.323 -0.173
286 HB3 TRP 36 3HB TRP 36 6.826 8.197 -0.100
287 HD1 TRP 36 1HD TRP 36 6.744 6.302 1.725
288 HE1 TRP 36 1HE TRP 36 4.918 5.493 3.348
289 HE3 TRP 36 3HE TRP 36 3.483 10.215 1.292
290 HZ2 TRP 36 2HZ TRP 36 2.424 6.395 4.315
291 HZ3 TRP 36 3HZ TRP 36 1.400 10.165 2.600
292 HH2 TRP 36 2HH TRP 36 0.882 8.293 4.080
Start of MODEL 9
1 H1 ASP 1 H ASP 1 -14.517 -8.843 -1.838
2 HA ASP 1 HA ASP 1 -13.226 -6.688 -3.212
3 HB2 ASP 1 2HB ASP 1 -12.465 -8.057 -0.624
4 HB3 ASP 1 3HB ASP 1 -11.831 -6.520 -1.201
5 H PHE 2 H PHE 2 -10.602 -6.823 -2.694
6 HA PHE 2 HA PHE 2 -9.699 -9.210 -4.166
7 HB2 PHE 2 2HB PHE 2 -8.964 -6.320 -4.457
8 HB3 PHE 2 3HB PHE 2 -7.787 -7.561 -4.875
9 HD1 PHE 2 2HD PHE 2 -8.784 -9.490 -6.417
10 HD2 PHE 2 1HD PHE 2 -10.318 -5.531 -6.124
11 HE1 PHE 2 2HE PHE 2 -9.832 -9.737 -8.629
12 HE2 PHE 2 1HE PHE 2 -11.369 -5.771 -8.335
13 HZ PHE 2 HZ PHE 2 -11.126 -7.875 -9.591
14 HA PRO 3 HA PRO 3 -6.807 -10.090 -0.987
15 HB2 PRO 3 2HB PRO 3 -4.656 -10.965 -2.393
16 HB3 PRO 3 3HB PRO 3 -6.145 -11.905 -2.230
17 HG2 PRO 3 2HG PRO 3 -5.231 -10.181 -4.501
18 HG3 PRO 3 3HG PRO 3 -5.994 -11.781 -4.548
19 HD2 PRO 3 2HD PRO 3 -7.374 -9.497 -5.003
20 HD3 PRO 3 3HD PRO 3 -8.111 -10.922 -4.240
21 H LEU 4 H LEU 4 -4.710 -9.531 -0.070
22 HA LEU 4 HA LEU 4 -4.102 -6.774 -0.402
23 HB2 LEU 4 2HB LEU 4 -2.570 -8.898 1.092
24 HB3 LEU 4 3HB LEU 4 -2.372 -7.156 1.271
25 HG LEU 4 HG LEU 4 -4.940 -8.591 1.912
26 HD11 LEU 4 2HD1 LEU 4 -4.303 -8.854 4.118
27 HD12 LEU 4 3HD1 LEU 4 -2.981 -7.696 3.984
28 HD13 LEU 4 1HD1 LEU 4 -2.834 -9.291 3.246
29 HD21 LEU 4 1HD2 LEU 4 -5.709 -6.608 2.693
30 HD22 LEU 4 2HD2 LEU 4 -4.586 -5.980 1.488
31 HD23 LEU 4 3HD2 LEU 4 -4.109 -6.053 3.184
32 H SER 5 H SER 5 -2.115 -5.828 -1.054
33 HA SER 5 HA SER 5 -0.706 -7.419 -3.087
34 HB2 SER 5 2HB SER 5 -0.880 -4.410 -2.803
35 HB3 SER 5 3HB SER 5 -0.096 -5.283 -4.119
36 HG SER 5 HG SER 5 -2.714 -4.676 -3.777
37 H LYS 6 H LYS 6 1.620 -6.624 -3.451
38 HA LYS 6 HA LYS 6 2.953 -6.631 -0.841
39 HB2 LYS 6 2HB LYS 6 4.659 -7.807 -1.791
40 HB3 LYS 6 3HB LYS 6 3.380 -8.267 -2.907
41 HG2 LYS 6 2HG LYS 6 4.125 -6.336 -4.354
42 HG3 LYS 6 3HG LYS 6 5.542 -6.222 -3.307
43 HD2 LYS 6 2HD LYS 6 6.450 -8.151 -4.100
44 HD3 LYS 6 3HD LYS 6 4.878 -8.900 -4.386
45 HE2 LYS 6 2HE LYS 6 4.563 -7.564 -6.376
46 HE3 LYS 6 3HE LYS 6 6.059 -6.685 -6.060
47 HZ1 LYS 6 2HZ LYS 6 7.260 -8.800 -6.307
48 HZ2 LYS 6 3HZ LYS 6 6.439 -8.358 -7.718
49 HZ3 LYS 6 1HZ LYS 6 5.812 -9.570 -6.717
50 H GLU 7 H GLU 7 5.236 -5.517 -1.001
51 HA GLU 7 HA GLU 7 4.885 -2.791 -0.994
52 HB2 GLU 7 2HB GLU 7 7.312 -2.589 -1.019
53 HB3 GLU 7 3HB GLU 7 6.820 -3.928 0.008
54 HG2 GLU 7 2HG GLU 7 7.272 -4.841 -2.677
55 HG3 GLU 7 3HG GLU 7 8.678 -3.967 -2.073
56 H TYR 8 H TYR 8 5.230 -1.117 -2.425
57 HA TYR 8 HA TYR 8 5.084 -0.066 -4.441
58 HB2 TYR 8 2HB TYR 8 7.016 -2.176 -5.406
59 HB3 TYR 8 3HB TYR 8 6.843 -0.524 -5.992
60 HD1 TYR 8 1HD TYR 8 6.799 1.025 -3.507
61 HD2 TYR 8 2HD TYR 8 9.182 -2.331 -4.581
62 HE1 TYR 8 1HE TYR 8 8.540 1.768 -1.937
63 HE2 TYR 8 2HE TYR 8 10.930 -1.599 -3.012
64 HH TYR 8 HH TYR 8 10.406 0.885 -0.706
65 H GLU 9 H GLU 9 2.880 -1.369 -4.252
66 HA GLU 9 HA GLU 9 2.478 -2.572 -6.893
67 HB2 GLU 9 2HB GLU 9 2.678 -4.292 -4.960
68 HB3 GLU 9 3HB GLU 9 1.082 -3.719 -4.496
69 HG2 GLU 9 2HG GLU 9 0.947 -5.728 -5.857
70 HG3 GLU 9 3HG GLU 9 0.199 -4.352 -6.667
71 H SER 10 H SER 10 0.309 -2.427 -7.683
72 HA SER 10 HA SER 10 -0.917 0.019 -7.333
73 HB2 SER 10 2HB SER 10 -1.620 -2.521 -8.633
74 HB3 SER 10 3HB SER 10 -3.012 -1.551 -8.155
75 HG SER 10 HG SER 10 -2.263 0.122 -9.399
76 H CYS 11 H CYS 11 -2.632 0.793 -6.150
77 HA CYS 11 HA CYS 11 -3.653 -0.961 -4.015
78 HB2 CYS 11 2HB CYS 11 -1.972 0.721 -3.203
79 HB3 CYS 11 3HB CYS 11 -3.076 1.992 -3.720
80 H VAL 12 H VAL 12 -4.442 0.703 -6.715
81 HA VAL 12 HA VAL 12 -6.623 2.265 -6.277
82 HB VAL 12 HB VAL 12 -6.461 0.149 -8.428
83 HG11 VAL 12 2HG1 VAL 12 -8.671 1.039 -8.333
84 HG12 VAL 12 3HG1 VAL 12 -8.063 2.689 -8.191
85 HG13 VAL 12 1HG1 VAL 12 -7.852 1.800 -9.699
86 HG21 VAL 12 1HG2 VAL 12 -5.735 2.491 -9.604
87 HG22 VAL 12 2HG2 VAL 12 -5.009 2.664 -8.006
88 HG23 VAL 12 3HG2 VAL 12 -4.604 1.274 -9.013
89 H ARG 13 H ARG 13 -8.219 1.922 -4.869
90 HA ARG 13 HA ARG 13 -9.109 -0.393 -3.759
91 HB2 ARG 13 2HB ARG 13 -10.532 2.170 -4.397
92 HB3 ARG 13 3HB ARG 13 -11.405 0.836 -3.655
93 HG2 ARG 13 2HG ARG 13 -9.817 0.844 -1.790
94 HG3 ARG 13 3HG ARG 13 -8.970 2.204 -2.531
95 HD2 ARG 13 2HD ARG 13 -10.489 3.681 -1.809
96 HD3 ARG 13 3HD ARG 13 -11.840 2.640 -2.256
97 HE ARG 13 HE ARG 13 -10.594 2.858 0.333
98 HH11 ARG 13 1HH1 ARG 13 -12.542 0.888 -1.774
99 HH12 ARG 13 2HH1 ARG 13 -13.274 -0.002 -0.479
100 HH21 ARG 13 1HH2 ARG 13 -11.550 1.694 2.046
101 HH22 ARG 13 2HH2 ARG 13 -12.710 0.458 1.692
102 HA PRO 14 HA PRO 14 -11.324 -1.055 -3.016
103 HB2 PRO 14 2HB PRO 14 -11.892 -3.702 -2.821
104 HB3 PRO 14 3HB PRO 14 -13.091 -2.496 -3.301
105 HG2 PRO 14 2HG PRO 14 -11.475 -4.345 -5.013
106 HG3 PRO 14 3HG PRO 14 -13.192 -3.920 -5.136
107 HD2 PRO 14 2HD PRO 14 -11.298 -2.808 -6.720
108 HD3 PRO 14 3HD PRO 14 -12.751 -1.927 -6.206
109 H ARG 15 H ARG 15 -9.011 -2.466 -5.021
110 HA ARG 15 HA ARG 15 -7.612 -4.283 -3.561
111 HB2 ARG 15 2HB ARG 15 -6.344 -1.993 -5.073
112 HB3 ARG 15 3HB ARG 15 -5.600 -3.543 -4.702
113 HG2 ARG 15 2HG ARG 15 -7.277 -4.663 -6.108
114 HG3 ARG 15 3HG ARG 15 -7.958 -3.087 -6.516
115 HD2 ARG 15 2HD ARG 15 -6.239 -2.548 -7.895
116 HD3 ARG 15 3HD ARG 15 -5.051 -3.423 -6.930
117 HE ARG 15 HE ARG 15 -6.620 -5.367 -8.047
118 HH11 ARG 15 1HH1 ARG 15 -4.683 -2.738 -9.255
119 HH12 ARG 15 2HH1 ARG 15 -4.296 -3.536 -10.743
120 HH21 ARG 15 1HH2 ARG 15 -6.116 -6.428 -10.002
121 HH22 ARG 15 2HH2 ARG 15 -5.111 -5.634 -11.167
122 H LYS 16 H LYS 16 -5.750 -4.139 -2.162
123 HA LYS 16 HA LYS 16 -5.398 -1.645 -0.695
124 HB2 LYS 16 2HB LYS 16 -6.539 -4.161 0.450
125 HB3 LYS 16 3HB LYS 16 -5.506 -3.158 1.458
126 HG2 LYS 16 2HG LYS 16 -7.855 -2.002 0.004
127 HG3 LYS 16 3HG LYS 16 -8.035 -2.794 1.572
128 HD2 LYS 16 2HD LYS 16 -5.989 -0.641 1.174
129 HD3 LYS 16 3HD LYS 16 -7.676 -0.229 1.487
130 HE2 LYS 16 2HE LYS 16 -7.550 -1.709 3.515
131 HE3 LYS 16 3HE LYS 16 -5.813 -1.825 3.236
132 HZ1 LYS 16 2HZ LYS 16 -5.776 -0.046 4.585
133 HZ2 LYS 16 3HZ LYS 16 -7.379 0.390 4.266
134 HZ3 LYS 16 1HZ LYS 16 -6.154 0.813 3.178
135 H CYS 17 H CYS 17 -3.548 -1.761 0.826
136 HA CYS 17 HA CYS 17 -1.519 -3.661 -0.155
137 HB2 CYS 17 2HB CYS 17 -1.227 -0.802 0.777
138 HB3 CYS 17 3HB CYS 17 0.142 -1.883 0.523
139 H LYS 18 H LYS 18 -1.088 -5.175 1.298
140 HA LYS 18 HA LYS 18 -1.841 -5.224 3.949
141 HB2 LYS 18 2HB LYS 18 -1.152 -7.244 2.854
142 HB3 LYS 18 3HB LYS 18 0.461 -6.604 2.567
143 HG2 LYS 18 2HG LYS 18 0.705 -6.503 5.094
144 HG3 LYS 18 3HG LYS 18 -0.755 -7.491 5.162
145 HD2 LYS 18 2HD LYS 18 1.793 -8.216 3.716
146 HD3 LYS 18 3HD LYS 18 1.279 -8.857 5.278
147 HE2 LYS 18 2HE LYS 18 0.052 -10.409 4.269
148 HE3 LYS 18 3HE LYS 18 -0.846 -9.168 3.396
149 HZ1 LYS 18 2HZ LYS 18 0.190 -9.719 1.533
150 HZ2 LYS 18 3HZ LYS 18 0.926 -11.010 2.341
151 HZ3 LYS 18 1HZ LYS 18 1.712 -9.516 2.242
152 HA PRO 19 HA PRO 19 0.853 -2.403 6.001
153 HB2 PRO 19 2HB PRO 19 0.573 -3.350 8.529
154 HB3 PRO 19 3HB PRO 19 -0.684 -2.420 7.708
155 HG2 PRO 19 2HG PRO 19 -0.449 -5.382 8.066
156 HG3 PRO 19 3HG PRO 19 -1.880 -4.346 8.228
157 HD2 PRO 19 2HD PRO 19 -1.396 -5.829 6.013
158 HD3 PRO 19 3HD PRO 19 -2.231 -4.263 5.951
159 HA PRO 20 HA PRO 20 1.854 -1.859 8.267
160 HB2 PRO 20 2HB PRO 20 4.234 -0.554 8.327
161 HB3 PRO 20 3HB PRO 20 3.777 -1.774 9.520
162 HG2 PRO 20 2HG PRO 20 5.521 -2.049 7.103
163 HG3 PRO 20 3HG PRO 20 5.762 -2.697 8.736
164 HD2 PRO 20 2HD PRO 20 4.822 -4.206 6.693
165 HD3 PRO 20 3HD PRO 20 4.332 -4.469 8.378
166 H LEU 21 H LEU 21 3.171 -2.435 5.202
167 HA LEU 21 HA LEU 21 3.661 -0.029 4.036
168 HB2 LEU 21 2HB LEU 21 1.892 -2.061 2.709
169 HB3 LEU 21 3HB LEU 21 3.056 -0.971 1.960
170 HG LEU 21 HG LEU 21 3.703 -3.376 3.663
171 HD11 LEU 21 2HD1 LEU 21 3.719 -2.852 0.715
172 HD12 LEU 21 3HD1 LEU 21 3.034 -4.213 1.600
173 HD13 LEU 21 1HD1 LEU 21 4.783 -4.061 1.432
174 HD21 LEU 21 1HD2 LEU 21 5.289 -1.459 3.898
175 HD22 LEU 21 2HD2 LEU 21 5.594 -1.571 2.164
176 HD23 LEU 21 3HD2 LEU 21 6.005 -2.921 3.223
177 H LYS 22 H LYS 22 2.524 1.695 3.267
178 HA LYS 22 HA LYS 22 -0.380 1.712 3.767
179 HB2 LYS 22 2HB LYS 22 1.539 4.008 4.203
180 HB3 LYS 22 3HB LYS 22 -0.203 4.065 4.438
181 HG2 LYS 22 2HG LYS 22 1.699 2.316 5.984
182 HG3 LYS 22 3HG LYS 22 1.027 3.848 6.547
183 HD2 LYS 22 2HD LYS 22 -1.245 2.883 6.306
184 HD3 LYS 22 3HD LYS 22 -0.508 1.339 5.875
185 HE2 LYS 22 2HE LYS 22 0.683 1.384 8.068
186 HE3 LYS 22 3HE LYS 22 -0.246 2.822 8.487
187 HZ1 LYS 22 2HZ LYS 22 -1.142 0.640 9.315
188 HZ2 LYS 22 3HZ LYS 22 -1.532 0.270 7.711
189 HZ3 LYS 22 1HZ LYS 22 -2.241 1.607 8.468
190 H CYS 23 H CYS 23 -1.641 3.039 2.382
191 HA CYS 23 HA CYS 23 -0.451 3.346 -0.266
192 HB2 CYS 23 2HB CYS 23 -3.330 3.464 0.656
193 HB3 CYS 23 3HB CYS 23 -2.807 3.642 -1.016
194 H ASN 24 H ASN 24 -0.369 5.260 -1.386
195 HA ASN 24 HA ASN 24 -1.128 7.685 0.104
196 HB2 ASN 24 2HB ASN 24 0.857 8.794 -0.599
197 HB3 ASN 24 3HB ASN 24 1.365 7.221 0.010
198 HD21 ASN 24 1HD2 ASN 24 1.518 5.491 -1.692
199 HD22 ASN 24 2HD2 ASN 24 2.218 5.949 -3.204
200 H LYS 25 H LYS 25 -0.568 9.575 -1.792
201 HA LYS 25 HA LYS 25 -2.839 9.568 -3.399
202 HB2 LYS 25 2HB LYS 25 -1.671 11.424 -4.654
203 HB3 LYS 25 3HB LYS 25 -1.802 11.651 -2.915
204 HG2 LYS 25 2HG LYS 25 0.490 11.074 -2.593
205 HG3 LYS 25 3HG LYS 25 0.653 10.570 -4.277
206 HD2 LYS 25 2HD LYS 25 -0.229 13.356 -3.706
207 HD3 LYS 25 3HD LYS 25 1.470 12.945 -3.465
208 HE2 LYS 25 2HE LYS 25 1.387 11.960 -5.817
209 HE3 LYS 25 3HE LYS 25 -0.151 12.803 -5.993
210 HZ1 LYS 25 2HZ LYS 25 2.033 14.420 -4.993
211 HZ2 LYS 25 3HZ LYS 25 0.862 14.782 -6.158
212 HZ3 LYS 25 1HZ LYS 25 2.224 13.875 -6.582
213 H ALA 26 H ALA 26 0.256 8.129 -3.913
214 HA ALA 26 HA ALA 26 -0.060 7.850 -6.771
215 HB1 ALA 26 2HB ALA 26 2.170 7.972 -6.281
216 HB2 ALA 26 3HB ALA 26 2.004 7.072 -4.774
217 HB3 ALA 26 1HB ALA 26 1.961 6.221 -6.318
218 H GLN 27 H GLN 27 -1.833 6.565 -4.518
219 HA GLN 27 HA GLN 27 -2.815 4.531 -4.065
220 HB2 GLN 27 2HB GLN 27 -3.689 3.498 -6.261
221 HB3 GLN 27 3HB GLN 27 -4.206 5.126 -5.843
222 HG2 GLN 27 2HG GLN 27 -2.470 6.028 -7.343
223 HG3 GLN 27 3HG GLN 27 -2.051 4.380 -7.806
224 HE21 GLN 27 1HE2 GLN 27 -4.897 6.484 -7.557
225 HE22 GLN 27 2HE2 GLN 27 -5.629 5.955 -9.030
226 H ILE 28 H ILE 28 -0.206 4.104 -3.696
227 HA ILE 28 HA ILE 28 0.163 1.409 -4.785
228 HB ILE 28 HB ILE 28 2.610 1.836 -5.017
229 HG12 ILE 28 2HG1 ILE 28 1.879 4.763 -4.959
230 HG13 ILE 28 3HG1 ILE 28 2.512 3.921 -3.550
231 HG21 ILE 28 1HG2 ILE 28 1.866 1.838 -7.127
232 HG22 ILE 28 2HG2 ILE 28 0.478 2.851 -6.732
233 HG23 ILE 28 3HG2 ILE 28 2.049 3.590 -7.042
234 HD11 ILE 28 2HD1 ILE 28 4.468 3.265 -5.062
235 HD12 ILE 28 3HD1 ILE 28 3.873 4.525 -6.143
236 HD13 ILE 28 1HD1 ILE 28 4.372 4.936 -4.501
237 H CYS 29 H CYS 29 1.971 0.249 -3.577
238 HA CYS 29 HA CYS 29 1.516 0.645 -0.731
239 HB2 CYS 29 2HB CYS 29 3.160 -1.549 -1.981
240 HB3 CYS 29 3HB CYS 29 2.337 -1.555 -0.425
241 H VAL 30 H VAL 30 2.858 1.794 0.473
242 HA VAL 30 HA VAL 30 5.732 1.637 0.003
243 HB VAL 30 HB VAL 30 5.916 4.147 0.272
244 HG11 VAL 30 2HG1 VAL 30 4.506 3.331 -2.256
245 HG12 VAL 30 3HG1 VAL 30 5.766 4.549 -2.051
246 HG13 VAL 30 1HG1 VAL 30 6.157 2.837 -1.881
247 HG21 VAL 30 1HG2 VAL 30 3.713 4.654 1.082
248 HG22 VAL 30 2HG2 VAL 30 3.931 5.450 -0.477
249 HG23 VAL 30 3HG2 VAL 30 2.974 3.972 -0.367
250 H ASP 31 H ASP 31 6.712 1.295 1.877
251 HA ASP 31 HA ASP 31 5.493 1.132 4.336
252 HB2 ASP 31 2HB ASP 31 8.389 1.750 3.722
253 HB3 ASP 31 3HB ASP 31 7.788 1.272 5.307
254 HA PRO 32 HA PRO 32 4.858 5.226 5.793
255 HB2 PRO 32 2HB PRO 32 5.039 4.819 8.471
256 HB3 PRO 32 3HB PRO 32 3.657 4.283 7.510
257 HG2 PRO 32 2HG PRO 32 6.016 2.713 8.473
258 HG3 PRO 32 3HG PRO 32 4.302 2.259 8.455
259 HD2 PRO 32 2HD PRO 32 6.060 1.389 6.587
260 HD3 PRO 32 3HD PRO 32 4.347 1.687 6.223
261 H ASN 33 H ASN 33 7.723 3.463 6.745
262 HA ASN 33 HA ASN 33 9.048 5.977 7.494
263 HB2 ASN 33 2HB ASN 33 9.611 3.095 8.149
264 HB3 ASN 33 3HB ASN 33 10.855 4.327 8.335
265 HD21 ASN 33 1HD2 ASN 33 8.136 2.851 9.700
266 HD22 ASN 33 2HD2 ASN 33 7.967 3.880 11.078
267 H LYS 34 H LYS 34 8.497 5.113 4.741
268 HA LYS 34 HA LYS 34 11.038 4.296 3.639
269 HB2 LYS 34 2HB LYS 34 8.996 3.538 2.566
270 HB3 LYS 34 3HB LYS 34 8.472 5.199 2.319
271 HG2 LYS 34 2HG LYS 34 9.287 4.422 0.244
272 HG3 LYS 34 3HG LYS 34 10.509 5.522 0.886
273 HD2 LYS 34 2HD LYS 34 11.845 3.645 1.643
274 HD3 LYS 34 3HD LYS 34 10.598 2.513 1.113
275 HE2 LYS 34 2HE LYS 34 10.999 2.966 -1.155
276 HE3 LYS 34 3HE LYS 34 11.900 4.437 -0.789
277 HZ1 LYS 34 2HZ LYS 34 13.657 3.084 0.164
278 HZ2 LYS 34 3HZ LYS 34 13.369 2.633 -1.440
279 HZ3 LYS 34 1HZ LYS 34 12.792 1.671 -0.174
280 H GLY 35 H GLY 35 9.043 7.243 3.588
281 HA2 GLY 35 2HA GLY 35 10.814 9.182 3.973
282 HA3 GLY 35 3HA GLY 35 11.216 8.723 2.325
283 H TRP 36 H TRP 36 8.418 8.084 1.675
284 HA TRP 36 HA TRP 36 7.636 10.494 0.546
285 HB2 TRP 36 2HB TRP 36 5.570 9.427 -0.013
286 HB3 TRP 36 3HB TRP 36 6.822 8.190 -0.078
287 HD1 TRP 36 1HD TRP 36 6.934 6.532 2.166
288 HE1 TRP 36 1HE TRP 36 4.988 5.619 3.582
289 HE3 TRP 36 3HE TRP 36 3.311 9.878 0.819
290 HZ2 TRP 36 2HZ TRP 36 2.276 6.237 4.065
291 HZ3 TRP 36 3HZ TRP 36 1.068 9.647 1.802
292 HH2 TRP 36 2HH TRP 36 0.563 7.863 3.391
Start of MODEL 10
1 H1 ASP 1 H ASP 1 -14.628 -9.147 -2.022
2 HA ASP 1 HA ASP 1 -12.815 -6.875 -1.906
3 HB2 ASP 1 2HB ASP 1 -13.131 -9.309 -0.141
4 HB3 ASP 1 3HB ASP 1 -11.925 -8.054 0.126
5 H PHE 2 H PHE 2 -10.673 -6.916 -2.396
6 HA PHE 2 HA PHE 2 -9.717 -9.314 -3.793
7 HB2 PHE 2 2HB PHE 2 -9.147 -6.396 -4.049
8 HB3 PHE 2 3HB PHE 2 -7.880 -7.534 -4.493
9 HD1 PHE 2 2HD PHE 2 -9.084 -9.660 -5.859
10 HD2 PHE 2 1HD PHE 2 -10.233 -5.562 -5.878
11 HE1 PHE 2 2HE PHE 2 -10.135 -9.968 -8.063
12 HE2 PHE 2 1HE PHE 2 -11.286 -5.863 -8.080
13 HZ PHE 2 HZ PHE 2 -11.237 -8.068 -9.176
14 HA PRO 3 HA PRO 3 -6.609 -10.218 -0.832
15 HB2 PRO 3 2HB PRO 3 -4.503 -10.927 -2.392
16 HB3 PRO 3 3HB PRO 3 -5.939 -11.938 -2.199
17 HG2 PRO 3 2HG PRO 3 -5.224 -10.067 -4.424
18 HG3 PRO 3 3HG PRO 3 -5.921 -11.695 -4.512
19 HD2 PRO 3 2HD PRO 3 -7.417 -9.453 -4.777
20 HD3 PRO 3 3HD PRO 3 -8.050 -10.944 -4.052
21 H LEU 4 H LEU 4 -4.463 -9.631 -0.023
22 HA LEU 4 HA LEU 4 -3.973 -6.822 -0.335
23 HB2 LEU 4 2HB LEU 4 -2.425 -8.888 1.219
24 HB3 LEU 4 3HB LEU 4 -2.262 -7.140 1.371
25 HG LEU 4 HG LEU 4 -4.884 -8.477 1.929
26 HD11 LEU 4 2HD1 LEU 4 -2.510 -9.069 3.309
27 HD12 LEU 4 3HD1 LEU 4 -4.164 -9.459 3.781
28 HD13 LEU 4 1HD1 LEU 4 -3.420 -7.958 4.332
29 HD21 LEU 4 1HD2 LEU 4 -5.488 -6.492 2.802
30 HD22 LEU 4 2HD2 LEU 4 -4.186 -5.870 1.785
31 HD23 LEU 4 3HD2 LEU 4 -3.894 -6.192 3.496
32 H SER 5 H SER 5 -2.264 -5.805 -1.292
33 HA SER 5 HA SER 5 -0.729 -7.404 -3.186
34 HB2 SER 5 2HB SER 5 -0.610 -4.406 -2.965
35 HB3 SER 5 3HB SER 5 -0.341 -5.420 -4.383
36 HG SER 5 HG SER 5 -2.446 -5.572 -4.698
37 H LYS 6 H LYS 6 1.571 -7.066 -3.453
38 HA LYS 6 HA LYS 6 2.935 -7.053 -0.922
39 HB2 LYS 6 2HB LYS 6 3.410 -8.135 -3.475
40 HB3 LYS 6 3HB LYS 6 4.717 -6.995 -3.188
41 HG2 LYS 6 2HG LYS 6 5.244 -8.118 -1.088
42 HG3 LYS 6 3HG LYS 6 3.927 -9.259 -1.367
43 HD2 LYS 6 2HD LYS 6 5.892 -10.366 -2.062
44 HD3 LYS 6 3HD LYS 6 5.086 -9.847 -3.545
45 HE2 LYS 6 2HE LYS 6 6.588 -8.010 -3.801
46 HE3 LYS 6 3HE LYS 6 7.275 -8.274 -2.200
47 HZ1 LYS 6 2HZ LYS 6 8.109 -10.427 -2.993
48 HZ2 LYS 6 3HZ LYS 6 8.751 -9.132 -3.871
49 HZ3 LYS 6 1HZ LYS 6 7.522 -10.083 -4.541
50 H GLU 7 H GLU 7 5.371 -5.921 -1.468
51 HA GLU 7 HA GLU 7 4.826 -3.158 -1.030
52 HB2 GLU 7 2HB GLU 7 7.192 -2.897 -0.763
53 HB3 GLU 7 3HB GLU 7 6.731 -4.415 -0.007
54 HG2 GLU 7 2HG GLU 7 7.356 -5.229 -2.526
55 HG3 GLU 7 3HG GLU 7 8.491 -3.902 -2.285
56 H TYR 8 H TYR 8 5.028 -1.431 -2.364
57 HA TYR 8 HA TYR 8 5.160 -0.225 -4.288
58 HB2 TYR 8 2HB TYR 8 7.004 -2.401 -5.285
59 HB3 TYR 8 3HB TYR 8 6.899 -0.746 -5.875
60 HD1 TYR 8 2HD TYR 8 6.963 0.901 -3.534
61 HD2 TYR 8 1HD TYR 8 9.055 -2.728 -4.281
62 HE1 TYR 8 2HE TYR 8 8.705 1.584 -1.938
63 HE2 TYR 8 1HE TYR 8 10.803 -2.056 -2.685
64 HH TYR 8 HH TYR 8 11.126 -0.583 -0.822
65 H GLU 9 H GLU 9 2.938 -1.756 -4.070
66 HA GLU 9 HA GLU 9 2.539 -2.784 -6.804
67 HB2 GLU 9 2HB GLU 9 2.087 -4.069 -4.313
68 HB3 GLU 9 3HB GLU 9 0.514 -3.743 -5.026
69 HG2 GLU 9 2HG GLU 9 1.513 -5.969 -5.581
70 HG3 GLU 9 3HG GLU 9 1.026 -4.991 -6.964
71 H SER 10 H SER 10 -0.152 -2.963 -6.915
72 HA SER 10 HA SER 10 -0.919 -0.176 -7.071
73 HB2 SER 10 2HB SER 10 -1.872 -2.727 -8.216
74 HB3 SER 10 3HB SER 10 -3.129 -1.535 -7.889
75 HG SER 10 HG SER 10 -2.228 -1.304 -9.987
76 H CYS 11 H CYS 11 -2.628 0.792 -6.005
77 HA CYS 11 HA CYS 11 -3.770 -0.729 -3.754
78 HB2 CYS 11 2HB CYS 11 -2.055 0.965 -3.064
79 HB3 CYS 11 3HB CYS 11 -3.096 2.217 -3.733
80 H VAL 12 H VAL 12 -4.427 0.796 -6.603
81 HA VAL 12 HA VAL 12 -6.608 2.403 -6.293
82 HB VAL 12 HB VAL 12 -6.387 0.234 -8.385
83 HG11 VAL 12 2HG1 VAL 12 -7.772 1.681 -9.749
84 HG12 VAL 12 3HG1 VAL 12 -8.595 1.314 -8.234
85 HG13 VAL 12 1HG1 VAL 12 -7.826 2.883 -8.459
86 HG21 VAL 12 1HG2 VAL 12 -4.395 1.360 -8.655
87 HG22 VAL 12 2HG2 VAL 12 -5.464 2.291 -9.705
88 HG23 VAL 12 3HG2 VAL 12 -5.063 2.894 -8.097
89 H ARG 13 H ARG 13 -8.188 2.061 -4.848
90 HA ARG 13 HA ARG 13 -9.161 -0.233 -3.785
91 HB2 ARG 13 2HB ARG 13 -10.530 2.355 -4.444
92 HB3 ARG 13 3HB ARG 13 -11.429 1.035 -3.707
93 HG2 ARG 13 2HG ARG 13 -9.821 1.024 -1.838
94 HG3 ARG 13 3HG ARG 13 -9.005 2.409 -2.567
95 HD2 ARG 13 2HD ARG 13 -10.482 3.222 -0.869
96 HD3 ARG 13 3HD ARG 13 -11.158 3.656 -2.439
97 HE ARG 13 HE ARG 13 -12.966 2.332 -1.982
98 HH11 ARG 13 1HH1 ARG 13 -10.380 1.514 0.201
99 HH12 ARG 13 2HH1 ARG 13 -11.355 0.456 1.166
100 HH21 ARG 13 1HH2 ARG 13 -14.260 0.941 -0.720
101 HH22 ARG 13 2HH2 ARG 13 -13.561 0.130 0.641
102 HA PRO 14 HA PRO 14 -11.354 -0.914 -3.082
103 HB2 PRO 14 2HB PRO 14 -11.920 -3.565 -2.945
104 HB3 PRO 14 3HB PRO 14 -13.118 -2.350 -3.405
105 HG2 PRO 14 2HG PRO 14 -11.494 -4.163 -5.149
106 HG3 PRO 14 3HG PRO 14 -13.211 -3.736 -5.271
107 HD2 PRO 14 2HD PRO 14 -11.311 -2.590 -6.823
108 HD3 PRO 14 3HD PRO 14 -12.766 -1.720 -6.296
109 H ARG 15 H ARG 15 -9.024 -2.267 -5.104
110 HA ARG 15 HA ARG 15 -7.630 -4.123 -3.694
111 HB2 ARG 15 2HB ARG 15 -6.378 -1.773 -5.127
112 HB3 ARG 15 3HB ARG 15 -5.601 -3.309 -4.773
113 HG2 ARG 15 2HG ARG 15 -7.146 -4.459 -6.250
114 HG3 ARG 15 3HG ARG 15 -7.988 -2.942 -6.570
115 HD2 ARG 15 2HD ARG 15 -6.345 -2.159 -7.933
116 HD3 ARG 15 3HD ARG 15 -5.066 -2.989 -7.046
117 HE ARG 15 HE ARG 15 -6.506 -4.981 -8.260
118 HH11 ARG 15 1HH1 ARG 15 -4.784 -2.146 -9.318
119 HH12 ARG 15 2HH1 ARG 15 -4.358 -2.819 -10.856
120 HH21 ARG 15 1HH2 ARG 15 -5.952 -5.878 -10.283
121 HH22 ARG 15 2HH2 ARG 15 -5.024 -4.942 -11.404
122 H LYS 16 H LYS 16 -5.801 -4.030 -2.258
123 HA LYS 16 HA LYS 16 -5.480 -1.585 -0.699
124 HB2 LYS 16 2HB LYS 16 -6.580 -4.168 0.342
125 HB3 LYS 16 3HB LYS 16 -5.590 -3.167 1.396
126 HG2 LYS 16 2HG LYS 16 -7.880 -1.933 -0.058
127 HG3 LYS 16 3HG LYS 16 -8.184 -2.915 1.377
128 HD2 LYS 16 2HD LYS 16 -7.269 -1.389 2.777
129 HD3 LYS 16 3HD LYS 16 -6.035 -0.904 1.612
130 HE2 LYS 16 2HE LYS 16 -7.359 0.688 0.668
131 HE3 LYS 16 3HE LYS 16 -8.845 -0.206 0.981
132 HZ1 LYS 16 2HZ LYS 16 -7.510 0.697 3.365
133 HZ2 LYS 16 3HZ LYS 16 -9.137 0.824 2.923
134 HZ3 LYS 16 1HZ LYS 16 -8.017 1.960 2.360
135 H CYS 17 H CYS 17 -3.625 -1.701 0.787
136 HA CYS 17 HA CYS 17 -1.579 -3.573 -0.210
137 HB2 CYS 17 2HB CYS 17 -1.320 -0.710 0.716
138 HB3 CYS 17 3HB CYS 17 0.062 -1.774 0.483
139 H LYS 18 H LYS 18 -1.229 -5.111 1.246
140 HA LYS 18 HA LYS 18 -1.935 -5.125 3.909
141 HB2 LYS 18 2HB LYS 18 -1.375 -7.228 3.218
142 HB3 LYS 18 3HB LYS 18 -0.020 -6.666 2.247
143 HG2 LYS 18 2HG LYS 18 1.444 -6.712 4.011
144 HG3 LYS 18 3HG LYS 18 0.168 -6.512 5.215
145 HD2 LYS 18 2HD LYS 18 1.191 -8.784 5.188
146 HD3 LYS 18 3HD LYS 18 -0.554 -8.779 4.918
147 HE2 LYS 18 2HE LYS 18 0.728 -10.306 3.411
148 HE3 LYS 18 3HE LYS 18 -0.265 -9.114 2.573
149 HZ1 LYS 18 2HZ LYS 18 1.521 -8.173 1.658
150 HZ2 LYS 18 3HZ LYS 18 2.353 -9.581 2.092
151 HZ3 LYS 18 1HZ LYS 18 2.417 -8.217 3.092
152 HA PRO 19 HA PRO 19 0.885 -2.389 5.907
153 HB2 PRO 19 2HB PRO 19 0.626 -3.326 8.442
154 HB3 PRO 19 3HB PRO 19 -0.619 -2.357 7.643
155 HG2 PRO 19 2HG PRO 19 -0.468 -5.326 8.001
156 HG3 PRO 19 3HG PRO 19 -1.861 -4.246 8.188
157 HD2 PRO 19 2HD PRO 19 -1.467 -5.745 5.967
158 HD3 PRO 19 3HD PRO 19 -2.253 -4.154 5.919
159 HA PRO 20 HA PRO 20 1.942 -1.878 8.159
160 HB2 PRO 20 2HB PRO 20 4.361 -0.646 8.178
161 HB3 PRO 20 3HB PRO 20 3.889 -1.855 9.379
162 HG2 PRO 20 2HG PRO 20 5.581 -2.176 6.931
163 HG3 PRO 20 3HG PRO 20 5.831 -2.835 8.558
164 HD2 PRO 20 2HD PRO 20 4.810 -4.310 6.529
165 HD3 PRO 20 3HD PRO 20 4.343 -4.563 8.223
166 H LEU 21 H LEU 21 3.172 -2.492 5.069
167 HA LEU 21 HA LEU 21 3.743 -0.134 3.872
168 HB2 LEU 21 2HB LEU 21 1.770 -2.024 2.626
169 HB3 LEU 21 3HB LEU 21 2.990 -1.032 1.829
170 HG LEU 21 HG LEU 21 3.518 -3.472 3.525
171 HD11 LEU 21 2HD1 LEU 21 3.325 -2.991 0.588
172 HD12 LEU 21 3HD1 LEU 21 2.727 -4.343 1.550
173 HD13 LEU 21 1HD1 LEU 21 4.450 -4.201 1.202
174 HD21 LEU 21 1HD2 LEU 21 5.787 -2.883 2.082
175 HD22 LEU 21 2HD2 LEU 21 5.538 -2.568 3.799
176 HD23 LEU 21 3HD2 LEU 21 5.224 -1.299 2.615
177 H LYS 22 H LYS 22 2.684 1.651 3.108
178 HA LYS 22 HA LYS 22 -0.179 1.882 3.764
179 HB2 LYS 22 2HB LYS 22 1.912 4.045 4.071
180 HB3 LYS 22 3HB LYS 22 0.193 4.218 4.402
181 HG2 LYS 22 2HG LYS 22 2.032 2.326 5.853
182 HG3 LYS 22 3HG LYS 22 1.566 3.928 6.433
183 HD2 LYS 22 2HD LYS 22 -0.352 1.678 5.826
184 HD3 LYS 22 3HD LYS 22 0.221 2.113 7.437
185 HE2 LYS 22 2HE LYS 22 -0.691 4.440 6.962
186 HE3 LYS 22 3HE LYS 22 -1.506 3.721 5.573
187 HZ1 LYS 22 2HZ LYS 22 -2.681 3.892 7.887
188 HZ2 LYS 22 3HZ LYS 22 -1.844 2.453 8.192
189 HZ3 LYS 22 1HZ LYS 22 -2.922 2.546 6.892
190 H CYS 23 H CYS 23 -1.419 3.257 2.419
191 HA CYS 23 HA CYS 23 -0.352 3.458 -0.288
192 HB2 CYS 23 2HB CYS 23 -3.152 3.781 0.806
193 HB3 CYS 23 3HB CYS 23 -2.729 3.963 -0.894
194 H ASN 24 H ASN 24 -0.203 5.349 -1.451
195 HA ASN 24 HA ASN 24 -0.693 7.843 0.037
196 HB2 ASN 24 2HB ASN 24 1.343 8.785 -0.754
197 HB3 ASN 24 3HB ASN 24 1.752 7.182 -0.147
198 HD21 ASN 24 1HD2 ASN 24 1.713 5.432 -1.829
199 HD22 ASN 24 2HD2 ASN 24 2.381 5.819 -3.374
200 H LYS 25 H LYS 25 -0.063 9.657 -1.910
201 HA LYS 25 HA LYS 25 -2.389 9.802 -3.433
202 HB2 LYS 25 2HB LYS 25 -1.415 11.687 -4.521
203 HB3 LYS 25 3HB LYS 25 -0.836 11.699 -2.861
204 HG2 LYS 25 2HG LYS 25 1.286 10.754 -3.574
205 HG3 LYS 25 3HG LYS 25 0.707 10.680 -5.239
206 HD2 LYS 25 2HD LYS 25 0.293 13.227 -4.934
207 HD3 LYS 25 3HD LYS 25 1.421 13.070 -3.585
208 HE2 LYS 25 2HE LYS 25 2.635 13.723 -5.558
209 HE3 LYS 25 3HE LYS 25 3.068 12.067 -5.136
210 HZ1 LYS 25 2HZ LYS 25 2.217 11.284 -7.033
211 HZ2 LYS 25 3HZ LYS 25 2.308 12.880 -7.585
212 HZ3 LYS 25 1HZ LYS 25 0.852 12.280 -6.968
213 H ALA 26 H ALA 26 0.574 8.134 -4.041
214 HA ALA 26 HA ALA 26 0.117 7.836 -6.878
215 HB1 ALA 26 2HB ALA 26 2.372 7.826 -6.471
216 HB2 ALA 26 3HB ALA 26 2.207 6.934 -4.958
217 HB3 ALA 26 1HB ALA 26 2.045 6.093 -6.500
218 H GLN 27 H GLN 27 -1.624 6.700 -4.515
219 HA GLN 27 HA GLN 27 -2.714 4.743 -3.983
220 HB2 GLN 27 2HB GLN 27 -3.750 3.738 -6.130
221 HB3 GLN 27 3HB GLN 27 -4.159 5.391 -5.692
222 HG2 GLN 27 2HG GLN 27 -2.460 6.202 -7.280
223 HG3 GLN 27 3HG GLN 27 -2.143 4.534 -7.755
224 HE21 GLN 27 1HE2 GLN 27 -4.876 6.766 -7.373
225 HE22 GLN 27 2HE2 GLN 27 -5.700 6.273 -8.808
226 H ILE 28 H ILE 28 -0.125 4.147 -3.731
227 HA ILE 28 HA ILE 28 0.012 1.420 -4.797
228 HB ILE 28 HB ILE 28 2.469 1.683 -5.149
229 HG12 ILE 28 2HG1 ILE 28 1.943 4.652 -5.124
230 HG13 ILE 28 3HG1 ILE 28 2.558 3.799 -3.712
231 HG21 ILE 28 1HG2 ILE 28 0.329 2.817 -6.779
232 HG22 ILE 28 2HG2 ILE 28 1.930 3.442 -7.174
233 HG23 ILE 28 3HG2 ILE 28 1.623 1.705 -7.220
234 HD11 ILE 28 2HD1 ILE 28 4.426 2.981 -5.232
235 HD12 ILE 28 3HD1 ILE 28 3.877 4.213 -6.369
236 HD13 ILE 28 1HD1 ILE 28 4.443 4.682 -4.766
237 H CYS 29 H CYS 29 1.871 0.200 -3.672
238 HA CYS 29 HA CYS 29 1.534 0.611 -0.811
239 HB2 CYS 29 2HB CYS 29 3.066 -1.633 -2.110
240 HB3 CYS 29 3HB CYS 29 2.291 -1.611 -0.530
241 H VAL 30 H VAL 30 2.956 1.723 0.337
242 HA VAL 30 HA VAL 30 5.803 1.489 -0.261
243 HB VAL 30 HB VAL 30 6.073 3.982 0.024
244 HG11 VAL 30 2HG1 VAL 30 5.822 2.514 -2.200
245 HG12 VAL 30 3HG1 VAL 30 4.474 3.627 -2.437
246 HG13 VAL 30 1HG1 VAL 30 6.108 4.255 -2.224
247 HG21 VAL 30 1HG2 VAL 30 3.942 4.539 0.982
248 HG22 VAL 30 2HG2 VAL 30 4.089 5.360 -0.572
249 HG23 VAL 30 3HG2 VAL 30 3.093 3.911 -0.431
250 H ASP 31 H ASP 31 6.885 1.129 1.554
251 HA ASP 31 HA ASP 31 5.781 0.931 4.067
252 HB2 ASP 31 2HB ASP 31 8.351 0.648 2.937
253 HB3 ASP 31 3HB ASP 31 8.535 1.724 4.320
254 HA PRO 32 HA PRO 32 5.246 5.015 5.598
255 HB2 PRO 32 2HB PRO 32 5.491 4.555 8.262
256 HB3 PRO 32 3HB PRO 32 4.073 4.061 7.330
257 HG2 PRO 32 2HG PRO 32 6.428 2.430 8.200
258 HG3 PRO 32 3HG PRO 32 4.705 2.008 8.220
259 HD2 PRO 32 2HD PRO 32 6.396 1.142 6.290
260 HD3 PRO 32 3HD PRO 32 4.680 1.478 5.977
261 H ASN 33 H ASN 33 7.970 3.194 6.986
262 HA ASN 33 HA ASN 33 9.388 5.389 7.997
263 HB2 ASN 33 2HB ASN 33 10.439 2.735 6.992
264 HB3 ASN 33 3HB ASN 33 11.354 3.883 7.968
265 HD21 ASN 33 1HD2 ASN 33 8.966 1.421 7.945
266 HD22 ASN 33 2HD2 ASN 33 8.711 1.344 9.651
267 H LYS 34 H LYS 34 8.927 4.291 4.781
268 HA LYS 34 HA LYS 34 11.213 5.095 3.463
269 HB2 LYS 34 2HB LYS 34 9.174 3.958 2.483
270 HB3 LYS 34 3HB LYS 34 8.421 5.545 2.410
271 HG2 LYS 34 2HG LYS 34 10.425 6.269 1.032
272 HG3 LYS 34 3HG LYS 34 10.820 4.554 0.907
273 HD2 LYS 34 2HD LYS 34 8.926 4.078 -0.345
274 HD3 LYS 34 3HD LYS 34 8.072 5.516 0.217
275 HE2 LYS 34 2HE LYS 34 8.656 5.978 -2.011
276 HE3 LYS 34 3HE LYS 34 9.832 6.858 -1.037
277 HZ1 LYS 34 2HZ LYS 34 11.511 5.601 -1.786
278 HZ2 LYS 34 3HZ LYS 34 10.467 5.231 -3.065
279 HZ3 LYS 34 1HZ LYS 34 10.613 4.167 -1.756
280 H GLY 35 H GLY 35 8.293 7.084 3.994
281 HA2 GLY 35 2HA GLY 35 8.603 9.350 4.875
282 HA3 GLY 35 3HA GLY 35 10.045 9.460 3.877
283 H TRP 36 H TRP 36 7.086 8.016 2.716
284 HA TRP 36 HA TRP 36 7.009 9.719 0.448
285 HB2 TRP 36 2HB TRP 36 4.845 8.585 -0.033
286 HB3 TRP 36 3HB TRP 36 6.159 7.459 0.295
287 HD1 TRP 36 1HD TRP 36 5.996 5.992 2.511
288 HE1 TRP 36 1HE TRP 36 4.039 5.459 4.096
289 HE3 TRP 36 3HE TRP 36 2.716 9.608 0.997
290 HZ2 TRP 36 2HZ TRP 36 1.448 6.441 4.634
291 HZ3 TRP 36 3HZ TRP 36 0.520 9.744 2.096
292 HH2 TRP 36 2HH TRP 36 -0.100 8.192 3.876
Start of MODEL 11
1 H1 ASP 1 H ASP 1 -14.246 -8.308 -1.268
2 HA ASP 1 HA ASP 1 -13.197 -5.795 -2.388
3 HB2 ASP 1 2HB ASP 1 -11.563 -5.854 -0.412
4 HB3 ASP 1 3HB ASP 1 -13.222 -5.367 -0.071
5 H PHE 2 H PHE 2 -10.802 -5.851 -2.696
6 HA PHE 2 HA PHE 2 -10.073 -8.401 -3.901
7 HB2 PHE 2 2HB PHE 2 -9.132 -5.581 -4.183
8 HB3 PHE 2 3HB PHE 2 -8.029 -6.882 -4.616
9 HD1 PHE 2 2HD PHE 2 -9.537 -8.844 -5.949
10 HD2 PHE 2 1HD PHE 2 -10.065 -4.621 -6.037
11 HE1 PHE 2 2HE PHE 2 -10.619 -9.028 -8.152
12 HE2 PHE 2 1HE PHE 2 -11.148 -4.798 -8.239
13 HZ PHE 2 HZ PHE 2 -11.425 -7.003 -9.300
14 HA PRO 3 HA PRO 3 -7.131 -9.636 -0.891
15 HB2 PRO 3 2HB PRO 3 -5.117 -10.630 -2.416
16 HB3 PRO 3 3HB PRO 3 -6.671 -11.451 -2.224
17 HG2 PRO 3 2HG PRO 3 -5.708 -9.723 -4.470
18 HG3 PRO 3 3HG PRO 3 -6.603 -11.252 -4.540
19 HD2 PRO 3 2HD PRO 3 -7.803 -8.845 -4.857
20 HD3 PRO 3 3HD PRO 3 -8.625 -10.233 -4.114
21 H LEU 4 H LEU 4 -4.962 -9.285 -0.043
22 HA LEU 4 HA LEU 4 -4.131 -6.576 -0.335
23 HB2 LEU 4 2HB LEU 4 -2.905 -8.900 1.140
24 HB3 LEU 4 3HB LEU 4 -2.311 -7.244 1.235
25 HG LEU 4 HG LEU 4 -5.161 -7.711 1.916
26 HD11 LEU 4 2HD1 LEU 4 -3.053 -9.192 3.153
27 HD12 LEU 4 3HD1 LEU 4 -4.778 -9.191 3.519
28 HD13 LEU 4 1HD1 LEU 4 -3.709 -8.029 4.304
29 HD21 LEU 4 1HD2 LEU 4 -4.961 -5.719 2.913
30 HD22 LEU 4 2HD2 LEU 4 -3.453 -5.574 2.011
31 HD23 LEU 4 3HD2 LEU 4 -3.432 -6.151 3.678
32 H SER 5 H SER 5 -2.052 -5.815 -0.983
33 HA SER 5 HA SER 5 -0.790 -7.528 -3.020
34 HB2 SER 5 2HB SER 5 -0.476 -4.547 -3.003
35 HB3 SER 5 3HB SER 5 -0.417 -5.669 -4.363
36 HG SER 5 HG SER 5 -2.774 -5.142 -2.882
37 H LYS 6 H LYS 6 1.555 -6.867 -3.452
38 HA LYS 6 HA LYS 6 2.933 -6.813 -0.873
39 HB2 LYS 6 2HB LYS 6 4.752 -7.850 -1.928
40 HB3 LYS 6 3HB LYS 6 3.346 -8.587 -2.685
41 HG2 LYS 6 2HG LYS 6 3.824 -6.465 -4.332
42 HG3 LYS 6 3HG LYS 6 5.455 -6.930 -3.841
43 HD2 LYS 6 2HD LYS 6 3.581 -9.089 -4.650
44 HD3 LYS 6 3HD LYS 6 4.231 -8.047 -5.918
45 HE2 LYS 6 2HE LYS 6 6.497 -8.558 -4.619
46 HE3 LYS 6 3HE LYS 6 5.607 -10.011 -4.169
47 HZ1 LYS 6 2HZ LYS 6 6.911 -9.466 -6.578
48 HZ2 LYS 6 3HZ LYS 6 5.257 -9.572 -6.912
49 HZ3 LYS 6 1HZ LYS 6 6.050 -10.857 -6.149
50 H GLU 7 H GLU 7 5.216 -5.736 -1.057
51 HA GLU 7 HA GLU 7 4.899 -2.999 -1.133
52 HB2 GLU 7 2HB GLU 7 7.264 -2.814 -0.953
53 HB3 GLU 7 3HB GLU 7 6.808 -4.287 -0.107
54 HG2 GLU 7 2HG GLU 7 7.302 -5.210 -2.627
55 HG3 GLU 7 3HG GLU 7 8.487 -3.916 -2.463
56 H TYR 8 H TYR 8 5.121 -1.410 -2.632
57 HA TYR 8 HA TYR 8 5.155 -0.406 -4.673
58 HB2 TYR 8 2HB TYR 8 6.939 -2.671 -5.567
59 HB3 TYR 8 3HB TYR 8 6.864 -1.038 -6.219
60 HD1 TYR 8 1HD TYR 8 6.898 0.564 -3.730
61 HD2 TYR 8 2HD TYR 8 9.140 -2.883 -4.822
62 HE1 TYR 8 1HE TYR 8 8.697 1.258 -2.203
63 HE2 TYR 8 2HE TYR 8 10.945 -2.200 -3.296
64 HH TYR 8 HH TYR 8 11.634 -0.706 -1.812
65 H GLU 9 H GLU 9 2.878 -1.608 -4.390
66 HA GLU 9 HA GLU 9 2.360 -2.817 -7.008
67 HB2 GLU 9 2HB GLU 9 2.531 -4.511 -5.023
68 HB3 GLU 9 3HB GLU 9 0.943 -3.894 -4.596
69 HG2 GLU 9 2HG GLU 9 0.854 -5.947 -5.945
70 HG3 GLU 9 3HG GLU 9 0.043 -4.582 -6.711
71 H SER 10 H SER 10 0.146 -2.630 -7.709
72 HA SER 10 HA SER 10 -0.960 -0.117 -7.343
73 HB2 SER 10 2HB SER 10 -1.797 -2.629 -8.628
74 HB3 SER 10 3HB SER 10 -3.130 -1.584 -8.135
75 HG SER 10 HG SER 10 -1.352 -1.284 -10.171
76 H CYS 11 H CYS 11 -2.634 0.710 -6.129
77 HA CYS 11 HA CYS 11 -3.654 -1.011 -3.967
78 HB2 CYS 11 2HB CYS 11 -1.927 0.637 -3.196
79 HB3 CYS 11 3HB CYS 11 -3.004 1.931 -3.712
80 H VAL 12 H VAL 12 -4.460 0.664 -6.661
81 HA VAL 12 HA VAL 12 -6.600 2.268 -6.195
82 HB VAL 12 HB VAL 12 -6.541 0.125 -8.324
83 HG11 VAL 12 2HG1 VAL 12 -8.629 0.932 -8.629
84 HG12 VAL 12 3HG1 VAL 12 -8.286 2.440 -7.780
85 HG13 VAL 12 1HG1 VAL 12 -7.770 2.235 -9.454
86 HG21 VAL 12 1HG2 VAL 12 -5.033 2.630 -7.982
87 HG22 VAL 12 2HG2 VAL 12 -4.642 1.186 -8.917
88 HG23 VAL 12 3HG2 VAL 12 -5.755 2.388 -9.572
89 H ARG 13 H ARG 13 -8.146 1.963 -4.720
90 HA ARG 13 HA ARG 13 -9.069 -0.325 -3.585
91 HB2 ARG 13 2HB ARG 13 -10.425 2.283 -4.174
92 HB3 ARG 13 3HB ARG 13 -11.332 0.973 -3.429
93 HG2 ARG 13 2HG ARG 13 -9.311 0.935 -1.762
94 HG3 ARG 13 3HG ARG 13 -9.087 2.589 -2.334
95 HD2 ARG 13 2HD ARG 13 -11.315 3.181 -1.659
96 HD3 ARG 13 3HD ARG 13 -11.685 1.505 -1.256
97 HE ARG 13 HE ARG 13 -10.367 3.403 0.399
98 HH11 ARG 13 1HH1 ARG 13 -10.462 0.020 -0.416
99 HH12 ARG 13 2HH1 ARG 13 -9.869 -0.502 1.126
100 HH21 ARG 13 1HH2 ARG 13 -9.585 2.729 2.433
101 HH22 ARG 13 2HH2 ARG 13 -9.371 1.039 2.746
102 HA PRO 14 HA PRO 14 -11.267 -0.939 -2.773
103 HB2 PRO 14 2HB PRO 14 -11.886 -3.575 -2.566
104 HB3 PRO 14 3HB PRO 14 -13.074 -2.339 -3.002
105 HG2 PRO 14 2HG PRO 14 -11.559 -4.219 -4.772
106 HG3 PRO 14 3HG PRO 14 -13.269 -3.755 -4.837
107 HD2 PRO 14 2HD PRO 14 -11.406 -2.680 -6.480
108 HD3 PRO 14 3HD PRO 14 -12.819 -1.769 -5.915
109 H ARG 15 H ARG 15 -9.054 -2.399 -4.859
110 HA ARG 15 HA ARG 15 -7.650 -4.251 -3.450
111 HB2 ARG 15 2HB ARG 15 -6.381 -1.989 -5.004
112 HB3 ARG 15 3HB ARG 15 -5.662 -3.557 -4.660
113 HG2 ARG 15 2HG ARG 15 -7.425 -4.630 -6.006
114 HG3 ARG 15 3HG ARG 15 -8.066 -3.033 -6.396
115 HD2 ARG 15 2HD ARG 15 -6.345 -2.534 -7.803
116 HD3 ARG 15 3HD ARG 15 -5.184 -3.509 -6.902
117 HE ARG 15 HE ARG 15 -5.746 -5.330 -8.191
118 HH11 ARG 15 1HH1 ARG 15 -8.024 -2.754 -8.731
119 HH12 ARG 15 2HH1 ARG 15 -8.771 -3.524 -10.091
120 HH21 ARG 15 1HH2 ARG 15 -6.721 -6.353 -9.981
121 HH22 ARG 15 2HH2 ARG 15 -8.029 -5.571 -10.802
122 H LYS 16 H LYS 16 -5.736 -4.151 -2.118
123 HA LYS 16 HA LYS 16 -5.292 -1.667 -0.653
124 HB2 LYS 16 2HB LYS 16 -6.416 -4.181 0.511
125 HB3 LYS 16 3HB LYS 16 -5.320 -3.212 1.487
126 HG2 LYS 16 2HG LYS 16 -6.771 -1.356 1.455
127 HG3 LYS 16 3HG LYS 16 -7.757 -2.054 0.168
128 HD2 LYS 16 2HD LYS 16 -8.965 -2.319 2.204
129 HD3 LYS 16 3HD LYS 16 -8.340 -3.910 1.760
130 HE2 LYS 16 2HE LYS 16 -7.793 -3.853 3.985
131 HE3 LYS 16 3HE LYS 16 -6.323 -3.183 3.279
132 HZ1 LYS 16 2HZ LYS 16 -8.523 -1.420 4.147
133 HZ2 LYS 16 3HZ LYS 16 -6.888 -1.047 3.932
134 HZ3 LYS 16 1HZ LYS 16 -7.377 -1.981 5.255
135 H CYS 17 H CYS 17 -3.406 -1.877 0.860
136 HA CYS 17 HA CYS 17 -1.425 -3.759 -0.248
137 HB2 CYS 17 2HB CYS 17 -1.088 -0.909 0.686
138 HB3 CYS 17 3HB CYS 17 0.272 -1.995 0.425
139 H LYS 18 H LYS 18 -0.890 -5.280 1.158
140 HA LYS 18 HA LYS 18 -1.577 -5.416 3.820
141 HB2 LYS 18 2HB LYS 18 -0.797 -7.353 2.564
142 HB3 LYS 18 3HB LYS 18 0.816 -6.658 2.450
143 HG2 LYS 18 2HG LYS 18 1.199 -8.021 4.201
144 HG3 LYS 18 3HG LYS 18 0.534 -6.663 5.111
145 HD2 LYS 18 2HD LYS 18 -0.698 -8.418 5.953
146 HD3 LYS 18 3HD LYS 18 -1.749 -7.851 4.654
147 HE2 LYS 18 2HE LYS 18 -1.583 -10.270 4.606
148 HE3 LYS 18 3HE LYS 18 -0.825 -9.579 3.172
149 HZ1 LYS 18 2HZ LYS 18 0.935 -10.018 5.436
150 HZ2 LYS 18 3HZ LYS 18 1.198 -10.297 3.789
151 HZ3 LYS 18 1HZ LYS 18 0.328 -11.418 4.708
152 HA PRO 19 HA PRO 19 1.046 -2.507 5.853
153 HB2 PRO 19 2HB PRO 19 0.760 -3.444 8.384
154 HB3 PRO 19 3HB PRO 19 -0.504 -2.535 7.547
155 HG2 PRO 19 2HG PRO 19 -0.230 -5.492 7.925
156 HG3 PRO 19 3HG PRO 19 -1.676 -4.475 8.069
157 HD2 PRO 19 2HD PRO 19 -1.155 -5.964 5.868
158 HD3 PRO 19 3HD PRO 19 -2.011 -4.410 5.789
159 HA PRO 20 HA PRO 20 2.019 -1.940 8.127
160 HB2 PRO 20 2HB PRO 20 4.380 -0.600 8.203
161 HB3 PRO 20 3HB PRO 20 3.930 -1.823 9.397
162 HG2 PRO 20 2HG PRO 20 5.699 -2.081 6.995
163 HG3 PRO 20 3HG PRO 20 5.935 -2.720 8.633
164 HD2 PRO 20 2HD PRO 20 5.035 -4.249 6.587
165 HD3 PRO 20 3HD PRO 20 4.535 -4.514 8.269
166 H LEU 21 H LEU 21 3.359 -2.511 5.074
167 HA LEU 21 HA LEU 21 3.841 -0.118 3.892
168 HB2 LEU 21 2HB LEU 21 2.059 -2.151 2.584
169 HB3 LEU 21 3HB LEU 21 3.221 -1.067 1.823
170 HG LEU 21 HG LEU 21 3.871 -3.466 3.534
171 HD11 LEU 21 2HD1 LEU 21 4.965 -4.110 1.267
172 HD12 LEU 21 3HD1 LEU 21 3.813 -2.959 0.590
173 HD13 LEU 21 1HD1 LEU 21 3.234 -4.354 1.503
174 HD21 LEU 21 1HD2 LEU 21 5.464 -1.559 3.762
175 HD22 LEU 21 2HD2 LEU 21 5.755 -1.660 2.026
176 HD23 LEU 21 3HD2 LEU 21 6.174 -3.019 3.072
177 H LYS 22 H LYS 22 2.703 1.601 3.102
178 HA LYS 22 HA LYS 22 -0.194 1.640 3.640
179 HB2 LYS 22 2HB LYS 22 1.782 3.895 4.035
180 HB3 LYS 22 3HB LYS 22 0.037 4.042 4.204
181 HG2 LYS 22 2HG LYS 22 0.393 2.065 5.917
182 HG3 LYS 22 3HG LYS 22 2.017 2.750 5.994
183 HD2 LYS 22 2HD LYS 22 0.585 5.003 6.200
184 HD3 LYS 22 3HD LYS 22 -0.567 3.869 6.908
185 HE2 LYS 22 2HE LYS 22 1.598 3.076 8.217
186 HE3 LYS 22 3HE LYS 22 2.110 4.728 7.877
187 HZ1 LYS 22 2HZ LYS 22 1.030 4.799 9.942
188 HZ2 LYS 22 3HZ LYS 22 -0.256 3.835 9.415
189 HZ3 LYS 22 1HZ LYS 22 -0.097 5.420 8.846
190 H CYS 23 H CYS 23 -1.425 3.141 2.312
191 HA CYS 23 HA CYS 23 -0.305 3.305 -0.390
192 HB2 CYS 23 2HB CYS 23 -3.162 3.538 0.579
193 HB3 CYS 23 3HB CYS 23 -2.656 3.625 -1.106
194 H ASN 24 H ASN 24 -0.094 5.195 -1.495
195 HA ASN 24 HA ASN 24 -0.786 7.664 -0.041
196 HB2 ASN 24 2HB ASN 24 1.211 8.701 -0.816
197 HB3 ASN 24 3HB ASN 24 1.688 7.122 -0.197
198 HD21 ASN 24 1HD2 ASN 24 1.759 5.366 -1.867
199 HD22 ASN 24 2HD2 ASN 24 2.423 5.778 -3.408
200 H LYS 25 H LYS 25 -0.214 9.506 -1.984
201 HA LYS 25 HA LYS 25 -2.532 9.553 -3.525
202 HB2 LYS 25 2HB LYS 25 0.086 10.991 -3.996
203 HB3 LYS 25 3HB LYS 25 -1.433 11.387 -4.787
204 HG2 LYS 25 2HG LYS 25 -2.385 12.204 -2.826
205 HG3 LYS 25 3HG LYS 25 -1.206 11.382 -1.801
206 HD2 LYS 25 2HD LYS 25 0.553 12.873 -2.779
207 HD3 LYS 25 3HD LYS 25 -0.737 13.768 -3.585
208 HE2 LYS 25 2HE LYS 25 -0.921 13.311 -0.647
209 HE3 LYS 25 3HE LYS 25 0.204 14.529 -1.245
210 HZ1 LYS 25 2HZ LYS 25 -1.548 15.880 -1.246
211 HZ2 LYS 25 3HZ LYS 25 -2.658 14.613 -1.087
212 HZ3 LYS 25 1HZ LYS 25 -2.080 15.045 -2.617
213 H ALA 26 H ALA 26 0.499 8.006 -4.105
214 HA ALA 26 HA ALA 26 0.086 7.691 -6.947
215 HB1 ALA 26 2HB ALA 26 2.075 6.025 -6.552
216 HB2 ALA 26 3HB ALA 26 2.335 7.768 -6.508
217 HB3 ALA 26 1HB ALA 26 2.184 6.860 -5.002
218 H GLN 27 H GLN 27 -1.644 6.493 -4.610
219 HA GLN 27 HA GLN 27 -2.671 4.497 -4.093
220 HB2 GLN 27 2HB GLN 27 -3.638 3.453 -6.250
221 HB3 GLN 27 3HB GLN 27 -4.109 5.095 -5.828
222 HG2 GLN 27 2HG GLN 27 -2.408 5.950 -7.394
223 HG3 GLN 27 3HG GLN 27 -2.034 4.291 -7.855
224 HE21 GLN 27 1HE2 GLN 27 -4.824 6.459 -7.540
225 HE22 GLN 27 2HE2 GLN 27 -5.617 5.928 -8.980
226 H ILE 28 H ILE 28 -0.069 3.996 -3.795
227 HA ILE 28 HA ILE 28 0.188 1.275 -4.856
228 HB ILE 28 HB ILE 28 2.638 1.626 -5.170
229 HG12 ILE 28 2HG1 ILE 28 2.034 4.576 -5.182
230 HG13 ILE 28 3HG1 ILE 28 2.591 3.759 -3.725
231 HG21 ILE 28 1HG2 ILE 28 2.132 1.830 -7.321
232 HG22 ILE 28 2HG2 ILE 28 0.501 2.319 -6.861
233 HG23 ILE 28 3HG2 ILE 28 1.752 3.539 -7.105
234 HD11 ILE 28 2HD1 ILE 28 4.041 4.244 -6.288
235 HD12 ILE 28 3HD1 ILE 28 4.536 4.601 -4.634
236 HD13 ILE 28 1HD1 ILE 28 4.529 2.935 -5.212
237 H CYS 29 H CYS 29 2.044 0.108 -3.693
238 HA CYS 29 HA CYS 29 1.658 0.525 -0.840
239 HB2 CYS 29 2HB CYS 29 3.269 -1.687 -2.098
240 HB3 CYS 29 3HB CYS 29 2.455 -1.678 -0.537
241 H VAL 30 H VAL 30 3.036 1.675 0.323
242 HA VAL 30 HA VAL 30 5.897 1.508 -0.232
243 HB VAL 30 HB VAL 30 6.089 4.016 0.057
244 HG11 VAL 30 2HG1 VAL 30 6.528 3.150 -2.087
245 HG12 VAL 30 3HG1 VAL 30 4.827 2.782 -2.375
246 HG13 VAL 30 1HG1 VAL 30 5.372 4.458 -2.346
247 HG21 VAL 30 1HG2 VAL 30 3.132 3.858 -0.515
248 HG22 VAL 30 2HG2 VAL 30 3.897 4.491 0.942
249 HG23 VAL 30 3HG2 VAL 30 4.095 5.334 -0.594
250 H ASP 31 H ASP 31 7.008 1.277 1.594
251 HA ASP 31 HA ASP 31 5.883 1.003 4.093
252 HB2 ASP 31 2HB ASP 31 8.474 0.870 3.000
253 HB3 ASP 31 3HB ASP 31 8.582 1.986 4.359
254 HA PRO 32 HA PRO 32 5.051 5.049 5.592
255 HB2 PRO 32 2HB PRO 32 5.257 4.607 8.262
256 HB3 PRO 32 3HB PRO 32 3.896 4.028 7.295
257 HG2 PRO 32 2HG PRO 32 6.324 2.545 8.228
258 HG3 PRO 32 3HG PRO 32 4.631 2.018 8.205
259 HD2 PRO 32 2HD PRO 32 6.420 1.256 6.321
260 HD3 PRO 32 3HD PRO 32 4.695 1.486 5.964
261 H ASN 33 H ASN 33 7.841 3.403 7.062
262 HA ASN 33 HA ASN 33 9.097 5.684 8.098
263 HB2 ASN 33 2HB ASN 33 10.168 3.002 7.228
264 HB3 ASN 33 3HB ASN 33 11.204 4.243 7.928
265 HD21 ASN 33 1HD2 ASN 33 8.509 2.099 8.507
266 HD22 ASN 33 2HD2 ASN 33 8.592 2.145 10.232
267 H LYS 34 H LYS 34 8.808 4.532 4.876
268 HA LYS 34 HA LYS 34 11.074 5.490 3.625
269 HB2 LYS 34 2HB LYS 34 9.086 4.212 2.629
270 HB3 LYS 34 3HB LYS 34 8.324 5.784 2.430
271 HG2 LYS 34 2HG LYS 34 9.296 5.375 0.364
272 HG3 LYS 34 3HG LYS 34 10.457 6.437 1.165
273 HD2 LYS 34 2HD LYS 34 11.904 4.845 0.429
274 HD3 LYS 34 3HD LYS 34 11.444 4.092 1.958
275 HE2 LYS 34 2HE LYS 34 11.294 2.402 0.307
276 HE3 LYS 34 3HE LYS 34 9.638 2.881 0.679
277 HZ1 LYS 34 2HZ LYS 34 11.131 3.157 -1.781
278 HZ2 LYS 34 3HZ LYS 34 10.239 4.527 -1.347
279 HZ3 LYS 34 1HZ LYS 34 9.462 3.036 -1.534
280 H GLY 35 H GLY 35 8.344 7.259 4.893
281 HA2 GLY 35 2HA GLY 35 8.226 9.519 5.403
282 HA3 GLY 35 3HA GLY 35 9.804 9.735 4.660
283 H TRP 36 H TRP 36 7.325 8.131 2.862
284 HA TRP 36 HA TRP 36 7.485 9.884 0.689
285 HB2 TRP 36 2HB TRP 36 5.399 8.737 -0.101
286 HB3 TRP 36 3HB TRP 36 6.697 7.639 0.357
287 HD1 TRP 36 1HD TRP 36 6.307 6.090 2.482
288 HE1 TRP 36 1HE TRP 36 4.192 5.459 3.807
289 HE3 TRP 36 3HE TRP 36 3.137 9.686 0.707
290 HZ2 TRP 36 2HZ TRP 36 1.532 6.367 4.065
291 HZ3 TRP 36 3HZ TRP 36 0.824 9.735 1.544
292 HH2 TRP 36 2HH TRP 36 0.039 8.110 3.187
Start of MODEL 12
1 H1 ASP 1 H ASP 1 -14.355 -9.447 -1.849
2 HA ASP 1 HA ASP 1 -13.032 -6.881 -2.423
3 HB2 ASP 1 2HB ASP 1 -12.982 -8.701 -0.029
4 HB3 ASP 1 3HB ASP 1 -11.692 -7.532 -0.302
5 H PHE 2 H PHE 2 -10.709 -6.876 -2.645
6 HA PHE 2 HA PHE 2 -9.752 -9.317 -3.961
7 HB2 PHE 2 2HB PHE 2 -9.153 -6.409 -4.280
8 HB3 PHE 2 3HB PHE 2 -7.893 -7.570 -4.683
9 HD1 PHE 2 1HD PHE 2 -9.125 -9.723 -6.000
10 HD2 PHE 2 2HD PHE 2 -10.189 -5.604 -6.151
11 HE1 PHE 2 1HE PHE 2 -10.155 -10.073 -8.207
12 HE2 PHE 2 2HE PHE 2 -11.221 -5.948 -8.358
13 HZ PHE 2 HZ PHE 2 -11.206 -8.185 -9.388
14 HA PRO 3 HA PRO 3 -6.689 -10.172 -0.941
15 HB2 PRO 3 2HB PRO 3 -4.571 -10.938 -2.456
16 HB3 PRO 3 3HB PRO 3 -6.020 -11.932 -2.256
17 HG2 PRO 3 2HG PRO 3 -5.260 -10.124 -4.517
18 HG3 PRO 3 3HG PRO 3 -5.970 -11.747 -4.573
19 HD2 PRO 3 2HD PRO 3 -7.443 -9.501 -4.913
20 HD3 PRO 3 3HD PRO 3 -8.099 -10.967 -4.157
21 H LEU 4 H LEU 4 -4.572 -9.567 -0.099
22 HA LEU 4 HA LEU 4 -4.060 -6.780 -0.427
23 HB2 LEU 4 2HB LEU 4 -2.421 -8.833 1.047
24 HB3 LEU 4 3HB LEU 4 -2.342 -7.085 1.248
25 HG LEU 4 HG LEU 4 -4.854 -8.621 1.841
26 HD11 LEU 4 2HD1 LEU 4 -3.123 -7.877 4.098
27 HD12 LEU 4 3HD1 LEU 4 -2.550 -9.224 3.115
28 HD13 LEU 4 1HD1 LEU 4 -4.145 -9.294 3.865
29 HD21 LEU 4 1HD2 LEU 4 -4.340 -5.943 1.685
30 HD22 LEU 4 2HD2 LEU 4 -4.118 -6.264 3.405
31 HD23 LEU 4 3HD2 LEU 4 -5.642 -6.677 2.620
32 H SER 5 H SER 5 -2.071 -5.801 -1.067
33 HA SER 5 HA SER 5 -0.664 -7.357 -3.128
34 HB2 SER 5 2HB SER 5 -0.440 -4.381 -2.964
35 HB3 SER 5 3HB SER 5 -0.422 -5.432 -4.381
36 HG SER 5 HG SER 5 -2.486 -4.123 -3.289
37 H LYS 6 H LYS 6 1.649 -6.705 -3.480
38 HA LYS 6 HA LYS 6 3.003 -6.664 -0.895
39 HB2 LYS 6 2HB LYS 6 4.865 -7.602 -1.970
40 HB3 LYS 6 3HB LYS 6 3.486 -8.364 -2.753
41 HG2 LYS 6 2HG LYS 6 3.903 -6.172 -4.332
42 HG3 LYS 6 3HG LYS 6 5.545 -6.616 -3.856
43 HD2 LYS 6 2HD LYS 6 4.334 -9.036 -4.470
44 HD3 LYS 6 3HD LYS 6 3.729 -7.925 -5.701
45 HE2 LYS 6 2HE LYS 6 6.613 -7.752 -5.120
46 HE3 LYS 6 3HE LYS 6 6.075 -9.249 -5.879
47 HZ1 LYS 6 2HZ LYS 6 4.873 -7.678 -7.496
48 HZ2 LYS 6 3HZ LYS 6 6.542 -7.888 -7.667
49 HZ3 LYS 6 1HZ LYS 6 5.936 -6.496 -6.920
50 H GLU 7 H GLU 7 5.263 -5.519 -1.033
51 HA GLU 7 HA GLU 7 4.865 -2.790 -1.011
52 HB2 GLU 7 2HB GLU 7 7.301 -2.564 -0.993
53 HB3 GLU 7 3HB GLU 7 6.782 -3.874 0.057
54 HG2 GLU 7 2HG GLU 7 7.287 -4.904 -2.558
55 HG3 GLU 7 3HG GLU 7 8.671 -3.955 -2.021
56 H TYR 8 H TYR 8 5.071 -1.138 -2.448
57 HA TYR 8 HA TYR 8 5.057 -0.069 -4.455
58 HB2 TYR 8 2HB TYR 8 6.987 -2.219 -5.340
59 HB3 TYR 8 3HB TYR 8 6.801 -0.612 -6.031
60 HD1 TYR 8 2HD TYR 8 6.763 1.131 -3.711
61 HD2 TYR 8 1HD TYR 8 9.117 -2.339 -4.435
62 HE1 TYR 8 2HE TYR 8 8.490 1.990 -2.185
63 HE2 TYR 8 1HE TYR 8 10.849 -1.490 -2.911
64 HH TYR 8 HH TYR 8 10.377 0.854 -0.717
65 H GLU 9 H GLU 9 2.842 -1.410 -4.242
66 HA GLU 9 HA GLU 9 2.432 -2.569 -6.905
67 HB2 GLU 9 2HB GLU 9 2.616 -4.296 -4.965
68 HB3 GLU 9 3HB GLU 9 1.011 -3.727 -4.530
69 HG2 GLU 9 2HG GLU 9 0.865 -5.717 -5.889
70 HG3 GLU 9 3HG GLU 9 0.192 -4.334 -6.750
71 H SER 10 H SER 10 0.263 -2.407 -7.694
72 HA SER 10 HA SER 10 -0.948 0.044 -7.328
73 HB2 SER 10 2HB SER 10 -3.045 -1.573 -8.138
74 HB3 SER 10 3HB SER 10 -1.879 -0.787 -9.203
75 HG SER 10 HG SER 10 -1.084 -2.671 -9.657
76 H CYS 11 H CYS 11 -2.624 0.834 -6.116
77 HA CYS 11 HA CYS 11 -3.655 -0.927 -3.990
78 HB2 CYS 11 2HB CYS 11 -1.986 0.748 -3.168
79 HB3 CYS 11 3HB CYS 11 -3.065 2.026 -3.716
80 H VAL 12 H VAL 12 -4.437 0.807 -6.675
81 HA VAL 12 HA VAL 12 -6.641 2.325 -6.212
82 HB VAL 12 HB VAL 12 -6.451 0.268 -8.417
83 HG11 VAL 12 2HG1 VAL 12 -8.359 1.096 -9.195
84 HG12 VAL 12 3HG1 VAL 12 -8.501 2.074 -7.734
85 HG13 VAL 12 1HG1 VAL 12 -7.699 2.733 -9.160
86 HG21 VAL 12 1HG2 VAL 12 -5.595 2.336 -9.693
87 HG22 VAL 12 2HG2 VAL 12 -5.244 2.993 -8.095
88 HG23 VAL 12 3HG2 VAL 12 -4.479 1.493 -8.619
89 H ARG 13 H ARG 13 -8.247 1.930 -4.833
90 HA ARG 13 HA ARG 13 -9.119 -0.419 -3.782
91 HB2 ARG 13 2HB ARG 13 -10.460 2.189 -4.307
92 HB3 ARG 13 3HB ARG 13 -11.466 0.837 -3.803
93 HG2 ARG 13 2HG ARG 13 -9.619 0.614 -1.931
94 HG3 ARG 13 3HG ARG 13 -9.389 2.325 -2.297
95 HD2 ARG 13 2HD ARG 13 -11.885 2.589 -2.008
96 HD3 ARG 13 3HD ARG 13 -11.895 0.949 -1.360
97 HE ARG 13 HE ARG 13 -11.076 1.778 0.598
98 HH11 ARG 13 1HH1 ARG 13 -10.437 4.077 -1.936
99 HH12 ARG 13 2HH1 ARG 13 -9.809 5.284 -0.862
100 HH21 ARG 13 1HH2 ARG 13 -10.252 3.359 2.022
101 HH22 ARG 13 2HH2 ARG 13 -9.703 4.874 1.389
102 HA PRO 14 HA PRO 14 -11.326 -1.133 -3.077
103 HB2 PRO 14 2HB PRO 14 -11.852 -3.794 -2.947
104 HB3 PRO 14 3HB PRO 14 -13.067 -2.596 -3.411
105 HG2 PRO 14 2HG PRO 14 -11.406 -4.379 -5.149
106 HG3 PRO 14 3HG PRO 14 -13.128 -3.980 -5.279
107 HD2 PRO 14 2HD PRO 14 -11.239 -2.801 -6.819
108 HD3 PRO 14 3HD PRO 14 -12.710 -1.955 -6.299
109 H ARG 15 H ARG 15 -8.973 -2.463 -5.092
110 HA ARG 15 HA ARG 15 -7.560 -4.288 -3.654
111 HB2 ARG 15 2HB ARG 15 -6.312 -1.957 -5.119
112 HB3 ARG 15 3HB ARG 15 -5.553 -3.506 -4.772
113 HG2 ARG 15 2HG ARG 15 -7.217 -4.615 -6.208
114 HG3 ARG 15 3HG ARG 15 -7.904 -3.036 -6.593
115 HD2 ARG 15 2HD ARG 15 -6.132 -2.431 -7.902
116 HD3 ARG 15 3HD ARG 15 -4.987 -3.421 -6.999
117 HE ARG 15 HE ARG 15 -6.557 -5.259 -8.200
118 HH11 ARG 15 1HH1 ARG 15 -4.825 -2.478 -9.379
119 HH12 ARG 15 2HH1 ARG 15 -4.550 -3.153 -10.951
120 HH21 ARG 15 1HH2 ARG 15 -6.201 -6.158 -10.265
121 HH22 ARG 15 2HH2 ARG 15 -5.335 -5.246 -11.455
122 H LYS 16 H LYS 16 -5.691 -4.129 -2.253
123 HA LYS 16 HA LYS 16 -5.383 -1.657 -0.745
124 HB2 LYS 16 2HB LYS 16 -6.517 -4.195 0.357
125 HB3 LYS 16 3HB LYS 16 -5.492 -3.205 1.387
126 HG2 LYS 16 2HG LYS 16 -7.858 -2.060 -0.057
127 HG3 LYS 16 3HG LYS 16 -8.005 -2.834 1.523
128 HD2 LYS 16 2HD LYS 16 -5.999 -0.656 1.051
129 HD3 LYS 16 3HD LYS 16 -7.682 -0.275 1.421
130 HE2 LYS 16 2HE LYS 16 -7.541 -1.482 3.505
131 HE3 LYS 16 3HE LYS 16 -5.911 -2.031 3.117
132 HZ1 LYS 16 2HZ LYS 16 -5.016 -0.047 3.656
133 HZ2 LYS 16 3HZ LYS 16 -6.397 0.086 4.624
134 HZ3 LYS 16 1HZ LYS 16 -6.345 0.847 3.113
135 H CYS 17 H CYS 17 -3.554 -1.803 0.817
136 HA CYS 17 HA CYS 17 -1.502 -3.674 -0.171
137 HB2 CYS 17 2HB CYS 17 -1.229 -0.813 0.761
138 HB3 CYS 17 3HB CYS 17 0.145 -1.886 0.515
139 H LYS 18 H LYS 18 -1.089 -5.190 1.285
140 HA LYS 18 HA LYS 18 -1.853 -5.238 3.932
141 HB2 LYS 18 2HB LYS 18 -1.150 -7.256 2.841
142 HB3 LYS 18 3HB LYS 18 0.463 -6.612 2.565
143 HG2 LYS 18 2HG LYS 18 0.692 -6.510 5.091
144 HG3 LYS 18 3HG LYS 18 -0.769 -7.499 5.153
145 HD2 LYS 18 2HD LYS 18 1.668 -8.276 3.565
146 HD3 LYS 18 3HD LYS 18 1.429 -8.750 5.249
147 HE2 LYS 18 2HE LYS 18 -0.648 -9.876 4.646
148 HE3 LYS 18 3HE LYS 18 -0.445 -9.374 2.969
149 HZ1 LYS 18 2HZ LYS 18 1.791 -10.816 4.122
150 HZ2 LYS 18 3HZ LYS 18 1.086 -10.954 2.590
151 HZ3 LYS 18 1HZ LYS 18 0.376 -11.720 3.921
152 HA PRO 19 HA PRO 19 0.823 -2.408 5.998
153 HB2 PRO 19 2HB PRO 19 0.530 -3.355 8.525
154 HB3 PRO 19 3HB PRO 19 -0.725 -2.428 7.695
155 HG2 PRO 19 2HG PRO 19 -0.485 -5.390 8.057
156 HG3 PRO 19 3HG PRO 19 -1.918 -4.356 8.208
157 HD2 PRO 19 2HD PRO 19 -1.418 -5.840 5.999
158 HD3 PRO 19 3HD PRO 19 -2.256 -4.276 5.930
159 HA PRO 20 HA PRO 20 1.810 -1.858 8.268
160 HB2 PRO 20 2HB PRO 20 4.186 -0.547 8.338
161 HB3 PRO 20 3HB PRO 20 3.726 -1.768 9.532
162 HG2 PRO 20 2HG PRO 20 5.484 -2.041 7.124
163 HG3 PRO 20 3HG PRO 20 5.717 -2.687 8.759
164 HD2 PRO 20 2HD PRO 20 4.791 -4.201 6.713
165 HD3 PRO 20 3HD PRO 20 4.294 -4.463 8.397
166 H LEU 21 H LEU 21 3.144 -2.437 5.210
167 HA LEU 21 HA LEU 21 3.634 -0.031 4.044
168 HB2 LEU 21 2HB LEU 21 1.878 -2.067 2.706
169 HB3 LEU 21 3HB LEU 21 3.051 -0.979 1.966
170 HG LEU 21 HG LEU 21 3.676 -3.385 3.676
171 HD11 LEU 21 2HD1 LEU 21 4.771 -4.091 1.472
172 HD12 LEU 21 3HD1 LEU 21 3.759 -2.854 0.726
173 HD13 LEU 21 1HD1 LEU 21 3.015 -4.198 1.592
174 HD21 LEU 21 1HD2 LEU 21 5.986 -2.934 3.251
175 HD22 LEU 21 2HD2 LEU 21 5.264 -1.480 3.943
176 HD23 LEU 21 3HD2 LEU 21 5.582 -1.569 2.209
177 H LYS 22 H LYS 22 2.500 1.695 3.285
178 HA LYS 22 HA LYS 22 -0.407 1.704 3.768
179 HB2 LYS 22 2HB LYS 22 1.522 3.992 4.205
180 HB3 LYS 22 3HB LYS 22 -0.225 4.076 4.403
181 HG2 LYS 22 2HG LYS 22 1.612 2.306 6.004
182 HG3 LYS 22 3HG LYS 22 0.970 3.861 6.539
183 HD2 LYS 22 2HD LYS 22 -0.721 1.489 5.753
184 HD3 LYS 22 3HD LYS 22 -0.292 1.907 7.414
185 HE2 LYS 22 2HE LYS 22 -1.280 4.258 6.656
186 HE3 LYS 22 3HE LYS 22 -2.175 3.229 5.537
187 HZ1 LYS 22 2HZ LYS 22 -3.497 3.426 7.453
188 HZ2 LYS 22 3HZ LYS 22 -2.197 3.144 8.497
189 HZ3 LYS 22 1HZ LYS 22 -2.809 1.884 7.549
190 H CYS 23 H CYS 23 -1.647 3.135 2.414
191 HA CYS 23 HA CYS 23 -0.470 3.381 -0.253
192 HB2 CYS 23 2HB CYS 23 -3.344 3.521 0.679
193 HB3 CYS 23 3HB CYS 23 -2.828 3.698 -0.996
194 H ASN 24 H ASN 24 -0.380 5.290 -1.382
195 HA ASN 24 HA ASN 24 -1.119 7.727 0.100
196 HB2 ASN 24 2HB ASN 24 0.878 8.818 -0.603
197 HB3 ASN 24 3HB ASN 24 1.371 7.244 0.018
198 HD21 ASN 24 1HD2 ASN 24 1.516 5.504 -1.675
199 HD22 ASN 24 2HD2 ASN 24 2.225 5.947 -3.187
200 H LYS 25 H LYS 25 -0.539 9.606 -1.799
201 HA LYS 25 HA LYS 25 -2.805 9.607 -3.416
202 HB2 LYS 25 2HB LYS 25 -0.229 11.116 -3.901
203 HB3 LYS 25 3HB LYS 25 -1.812 11.525 -4.550
204 HG2 LYS 25 2HG LYS 25 -2.463 11.588 -1.997
205 HG3 LYS 25 3HG LYS 25 -0.733 11.881 -1.807
206 HD2 LYS 25 2HD LYS 25 -2.339 13.457 -3.785
207 HD3 LYS 25 3HD LYS 25 -2.336 13.899 -2.076
208 HE2 LYS 25 2HE LYS 25 0.179 13.530 -3.692
209 HE3 LYS 25 3HE LYS 25 -0.641 15.083 -3.527
210 HZ1 LYS 25 2HZ LYS 25 0.808 13.523 -1.503
211 HZ2 LYS 25 3HZ LYS 25 -0.448 14.541 -1.006
212 HZ3 LYS 25 1HZ LYS 25 0.880 15.179 -1.837
213 H ALA 26 H ALA 26 0.282 8.146 -3.910
214 HA ALA 26 HA ALA 26 -0.021 7.863 -6.770
215 HB1 ALA 26 2HB ALA 26 1.990 6.233 -6.317
216 HB2 ALA 26 3HB ALA 26 2.207 7.982 -6.258
217 HB3 ALA 26 1HB ALA 26 2.026 7.064 -4.761
218 H GLN 27 H GLN 27 -1.812 6.593 -4.521
219 HA GLN 27 HA GLN 27 -2.803 4.564 -4.066
220 HB2 GLN 27 2HB GLN 27 -3.683 3.533 -6.258
221 HB3 GLN 27 3HB GLN 27 -4.185 5.169 -5.849
222 HG2 GLN 27 2HG GLN 27 -2.432 6.044 -7.349
223 HG3 GLN 27 3HG GLN 27 -2.039 4.388 -7.807
224 HE21 GLN 27 1HE2 GLN 27 -4.901 6.469 -7.513
225 HE22 GLN 27 2HE2 GLN 27 -5.623 5.977 -9.003
226 H ILE 28 H ILE 28 -0.202 4.119 -3.683
227 HA ILE 28 HA ILE 28 0.156 1.422 -4.771
228 HB ILE 28 HB ILE 28 2.609 1.839 -4.993
229 HG12 ILE 28 2HG1 ILE 28 1.881 4.767 -4.966
230 HG13 ILE 28 3HG1 ILE 28 2.505 3.940 -3.544
231 HG21 ILE 28 1HG2 ILE 28 1.732 3.732 -6.952
232 HG22 ILE 28 2HG2 ILE 28 2.174 2.037 -7.158
233 HG23 ILE 28 3HG2 ILE 28 0.513 2.472 -6.755
234 HD11 ILE 28 2HD1 ILE 28 4.455 3.256 -5.086
235 HD12 ILE 28 3HD1 ILE 28 3.879 4.564 -6.120
236 HD13 ILE 28 1HD1 ILE 28 4.388 4.905 -4.467
237 H CYS 29 H CYS 29 1.983 0.272 -3.562
238 HA CYS 29 HA CYS 29 1.508 0.656 -0.718
239 HB2 CYS 29 2HB CYS 29 3.179 -1.522 -1.961
240 HB3 CYS 29 3HB CYS 29 2.342 -1.538 -0.412
241 H VAL 30 H VAL 30 2.836 1.814 0.495
242 HA VAL 30 HA VAL 30 5.713 1.679 0.042
243 HB VAL 30 HB VAL 30 5.874 4.193 0.315
244 HG11 VAL 30 2HG1 VAL 30 6.324 3.111 -1.807
245 HG12 VAL 30 3HG1 VAL 30 4.603 3.096 -2.192
246 HG13 VAL 30 1HG1 VAL 30 5.465 4.629 -2.075
247 HG21 VAL 30 1HG2 VAL 30 4.062 5.490 0.437
248 HG22 VAL 30 2HG2 VAL 30 3.269 4.649 -0.894
249 HG23 VAL 30 3HG2 VAL 30 3.156 4.008 0.745
250 H ASP 31 H ASP 31 6.661 1.308 1.926
251 HA ASP 31 HA ASP 31 5.423 1.164 4.375
252 HB2 ASP 31 2HB ASP 31 8.335 1.822 3.881
253 HB3 ASP 31 3HB ASP 31 7.663 1.171 5.373
254 HA PRO 32 HA PRO 32 4.819 5.266 5.825
255 HB2 PRO 32 2HB PRO 32 4.978 4.859 8.504
256 HB3 PRO 32 3HB PRO 32 3.597 4.336 7.534
257 HG2 PRO 32 2HG PRO 32 5.934 2.743 8.515
258 HG3 PRO 32 3HG PRO 32 4.216 2.306 8.486
259 HD2 PRO 32 2HD PRO 32 5.977 1.417 6.632
260 HD3 PRO 32 3HD PRO 32 4.271 1.731 6.254
261 H ASN 33 H ASN 33 7.682 3.486 6.690
262 HA ASN 33 HA ASN 33 9.022 5.986 7.472
263 HB2 ASN 33 2HB ASN 33 9.819 3.120 8.028
264 HB3 ASN 33 3HB ASN 33 10.724 4.543 8.535
265 HD21 ASN 33 1HD2 ASN 33 8.800 2.250 9.665
266 HD22 ASN 33 2HD2 ASN 33 7.984 3.098 10.931
267 H LYS 34 H LYS 34 8.471 5.041 4.724
268 HA LYS 34 HA LYS 34 10.989 4.179 3.636
269 HB2 LYS 34 2HB LYS 34 8.986 3.476 2.512
270 HB3 LYS 34 3HB LYS 34 8.429 5.136 2.352
271 HG2 LYS 34 2HG LYS 34 9.246 4.363 0.233
272 HG3 LYS 34 3HG LYS 34 10.341 5.599 0.860
273 HD2 LYS 34 2HD LYS 34 11.734 3.679 1.778
274 HD3 LYS 34 3HD LYS 34 10.743 2.617 0.773
275 HE2 LYS 34 2HE LYS 34 11.561 3.517 -1.201
276 HE3 LYS 34 3HE LYS 34 12.071 5.015 -0.425
277 HZ1 LYS 34 2HZ LYS 34 13.821 3.759 0.710
278 HZ2 LYS 34 3HZ LYS 34 13.976 3.671 -0.973
279 HZ3 LYS 34 1HZ LYS 34 13.354 2.355 -0.110
280 H GLY 35 H GLY 35 9.058 7.167 3.315
281 HA2 GLY 35 2HA GLY 35 10.959 9.041 3.792
282 HA3 GLY 35 3HA GLY 35 11.281 8.575 2.128
283 H TRP 36 H TRP 36 8.326 8.043 1.781
284 HA TRP 36 HA TRP 36 7.644 10.520 0.641
285 HB2 TRP 36 2HB TRP 36 5.523 9.539 0.126
286 HB3 TRP 36 3HB TRP 36 6.733 8.267 -0.022
287 HD1 TRP 36 1HD TRP 36 6.893 6.574 2.215
288 HE1 TRP 36 1HE TRP 36 4.964 5.661 3.653
289 HE3 TRP 36 3HE TRP 36 3.282 9.976 0.982
290 HZ2 TRP 36 2HZ TRP 36 2.267 6.299 4.193
291 HZ3 TRP 36 3HZ TRP 36 1.054 9.753 2.002
292 HH2 TRP 36 2HH TRP 36 0.559 7.952 3.574
Start of MODEL 13
1 H1 ASP 1 H ASP 1 -14.760 -8.068 -1.356
2 HA ASP 1 HA ASP 1 -12.986 -6.347 -2.456
3 HB2 ASP 1 2HB ASP 1 -11.876 -6.238 -0.376
4 HB3 ASP 1 3HB ASP 1 -13.522 -6.726 0.018
5 H PHE 2 H PHE 2 -10.702 -6.357 -2.835
6 HA PHE 2 HA PHE 2 -9.814 -8.855 -4.046
7 HB2 PHE 2 2HB PHE 2 -9.038 -5.982 -4.303
8 HB3 PHE 2 3HB PHE 2 -7.849 -7.211 -4.719
9 HD1 PHE 2 1HD PHE 2 -9.198 -9.257 -6.088
10 HD2 PHE 2 2HD PHE 2 -10.004 -5.079 -6.167
11 HE1 PHE 2 1HE PHE 2 -10.226 -9.501 -8.310
12 HE2 PHE 2 2HE PHE 2 -11.034 -5.316 -8.389
13 HZ PHE 2 HZ PHE 2 -11.147 -7.529 -9.463
14 HA PRO 3 HA PRO 3 -6.846 -9.936 -1.002
15 HB2 PRO 3 2HB PRO 3 -4.758 -10.802 -2.505
16 HB3 PRO 3 3HB PRO 3 -6.264 -11.712 -2.338
17 HG2 PRO 3 2HG PRO 3 -5.371 -9.915 -4.560
18 HG3 PRO 3 3HG PRO 3 -6.174 -11.494 -4.652
19 HD2 PRO 3 2HD PRO 3 -7.508 -9.158 -4.972
20 HD3 PRO 3 3HD PRO 3 -8.259 -10.596 -4.249
21 H LEU 4 H LEU 4 -4.708 -9.470 -0.126
22 HA LEU 4 HA LEU 4 -4.036 -6.715 -0.373
23 HB2 LEU 4 2HB LEU 4 -2.505 -8.909 1.015
24 HB3 LEU 4 3HB LEU 4 -2.319 -7.175 1.272
25 HG LEU 4 HG LEU 4 -4.897 -8.612 1.852
26 HD11 LEU 4 2HD1 LEU 4 -2.810 -9.502 3.092
27 HD12 LEU 4 3HD1 LEU 4 -4.245 -9.077 4.023
28 HD13 LEU 4 1HD1 LEU 4 -2.874 -7.969 3.960
29 HD21 LEU 4 1HD2 LEU 4 -4.071 -6.285 3.422
30 HD22 LEU 4 2HD2 LEU 4 -5.618 -6.651 2.658
31 HD23 LEU 4 3HD2 LEU 4 -4.308 -5.950 1.706
32 H SER 5 H SER 5 -2.084 -5.786 -1.087
33 HA SER 5 HA SER 5 -0.721 -7.373 -3.153
34 HB2 SER 5 2HB SER 5 -0.474 -4.393 -2.972
35 HB3 SER 5 3HB SER 5 -0.418 -5.437 -4.393
36 HG SER 5 HG SER 5 -2.514 -5.303 -4.567
37 H LYS 6 H LYS 6 1.599 -6.798 -3.521
38 HA LYS 6 HA LYS 6 2.982 -6.790 -0.955
39 HB2 LYS 6 2HB LYS 6 4.819 -7.736 -2.065
40 HB3 LYS 6 3HB LYS 6 3.422 -8.465 -2.847
41 HG2 LYS 6 2HG LYS 6 3.849 -6.259 -4.396
42 HG3 LYS 6 3HG LYS 6 5.491 -6.718 -3.939
43 HD2 LYS 6 2HD LYS 6 3.757 -8.948 -4.754
44 HD3 LYS 6 3HD LYS 6 4.120 -7.781 -6.027
45 HE2 LYS 6 2HE LYS 6 6.444 -8.531 -4.422
46 HE3 LYS 6 3HE LYS 6 5.714 -9.886 -5.281
47 HZ1 LYS 6 2HZ LYS 6 6.864 -9.183 -7.031
48 HZ2 LYS 6 3HZ LYS 6 7.251 -7.704 -6.305
49 HZ3 LYS 6 1HZ LYS 6 5.784 -7.884 -7.129
50 H GLU 7 H GLU 7 5.256 -5.674 -1.099
51 HA GLU 7 HA GLU 7 4.896 -2.939 -1.028
52 HB2 GLU 7 2HB GLU 7 7.303 -2.735 -0.952
53 HB3 GLU 7 3HB GLU 7 6.814 -4.147 -0.027
54 HG2 GLU 7 2HG GLU 7 7.258 -5.161 -2.549
55 HG3 GLU 7 3HG GLU 7 8.524 -3.948 -2.360
56 H TYR 8 H TYR 8 5.081 -1.274 -2.446
57 HA TYR 8 HA TYR 8 5.055 -0.175 -4.437
58 HB2 TYR 8 2HB TYR 8 6.964 -2.293 -5.426
59 HB3 TYR 8 3HB TYR 8 6.815 -0.630 -5.983
60 HD1 TYR 8 1HD TYR 8 6.819 0.923 -3.537
61 HD2 TYR 8 2HD TYR 8 9.083 -2.539 -4.529
62 HE1 TYR 8 1HE TYR 8 8.562 1.615 -1.945
63 HE2 TYR 8 2HE TYR 8 10.833 -1.858 -2.939
64 HH TYR 8 HH TYR 8 11.528 -0.294 -1.526
65 H GLU 9 H GLU 9 2.843 -1.514 -4.245
66 HA GLU 9 HA GLU 9 2.436 -2.651 -6.918
67 HB2 GLU 9 2HB GLU 9 2.607 -4.388 -4.982
68 HB3 GLU 9 3HB GLU 9 0.998 -3.820 -4.559
69 HG2 GLU 9 2HG GLU 9 0.847 -5.797 -5.926
70 HG3 GLU 9 3HG GLU 9 0.210 -4.408 -6.804
71 H SER 10 H SER 10 0.274 -2.469 -7.717
72 HA SER 10 HA SER 10 -0.930 -0.019 -7.335
73 HB2 SER 10 2HB SER 10 -2.621 -2.362 -8.129
74 HB3 SER 10 3HB SER 10 -2.588 -0.731 -8.797
75 HG SER 10 HG SER 10 -1.038 -1.300 -10.112
76 H CYS 11 H CYS 11 -2.579 0.777 -6.101
77 HA CYS 11 HA CYS 11 -3.643 -1.001 -4.007
78 HB2 CYS 11 2HB CYS 11 -1.947 0.655 -3.175
79 HB3 CYS 11 3HB CYS 11 -3.039 1.942 -3.678
80 H VAL 12 H VAL 12 -4.413 0.719 -6.682
81 HA VAL 12 HA VAL 12 -6.582 2.288 -6.225
82 HB VAL 12 HB VAL 12 -6.448 0.199 -8.403
83 HG11 VAL 12 2HG1 VAL 12 -8.025 2.745 -8.102
84 HG12 VAL 12 3HG1 VAL 12 -7.796 1.928 -9.648
85 HG13 VAL 12 1HG1 VAL 12 -8.637 1.105 -8.334
86 HG21 VAL 12 1HG2 VAL 12 -5.717 2.753 -9.354
87 HG22 VAL 12 2HG2 VAL 12 -4.777 2.460 -7.891
88 HG23 VAL 12 3HG2 VAL 12 -4.710 1.311 -9.227
89 H ARG 13 H ARG 13 -8.189 1.946 -4.833
90 HA ARG 13 HA ARG 13 -9.100 -0.370 -3.742
91 HB2 ARG 13 2HB ARG 13 -10.497 2.209 -4.366
92 HB3 ARG 13 3HB ARG 13 -11.392 0.875 -3.652
93 HG2 ARG 13 2HG ARG 13 -9.730 0.837 -1.799
94 HG3 ARG 13 3HG ARG 13 -9.006 2.290 -2.490
95 HD2 ARG 13 2HD ARG 13 -11.922 2.141 -1.787
96 HD3 ARG 13 3HD ARG 13 -10.699 2.595 -0.601
97 HE ARG 13 HE ARG 13 -11.676 4.191 -2.789
98 HH11 ARG 13 1HH1 ARG 13 -9.058 3.666 -0.556
99 HH12 ARG 13 2HH1 ARG 13 -8.467 5.291 -0.664
100 HH21 ARG 13 1HH2 ARG 13 -10.909 6.333 -2.940
101 HH22 ARG 13 2HH2 ARG 13 -9.521 6.808 -2.019
102 HA PRO 14 HA PRO 14 -11.312 -1.035 -3.013
103 HB2 PRO 14 2HB PRO 14 -11.884 -3.684 -2.845
104 HB3 PRO 14 3HB PRO 14 -13.080 -2.471 -3.315
105 HG2 PRO 14 2HG PRO 14 -11.464 -4.308 -5.041
106 HG3 PRO 14 3HG PRO 14 -13.181 -3.879 -5.164
107 HD2 PRO 14 2HD PRO 14 -11.282 -2.755 -6.734
108 HD3 PRO 14 3HD PRO 14 -12.734 -1.876 -6.214
109 H ARG 15 H ARG 15 -9.001 -2.444 -5.029
110 HA ARG 15 HA ARG 15 -7.610 -4.269 -3.565
111 HB2 ARG 15 2HB ARG 15 -6.324 -1.998 -5.089
112 HB3 ARG 15 3HB ARG 15 -5.605 -3.561 -4.726
113 HG2 ARG 15 2HG ARG 15 -7.343 -4.639 -6.114
114 HG3 ARG 15 3HG ARG 15 -7.946 -3.037 -6.542
115 HD2 ARG 15 2HD ARG 15 -6.158 -2.568 -7.878
116 HD3 ARG 15 3HD ARG 15 -5.055 -3.573 -6.938
117 HE ARG 15 HE ARG 15 -5.612 -5.375 -8.252
118 HH11 ARG 15 1HH1 ARG 15 -7.819 -2.752 -8.857
119 HH12 ARG 15 2HH1 ARG 15 -8.538 -3.504 -10.242
120 HH21 ARG 15 1HH2 ARG 15 -6.550 -6.375 -10.075
121 HH22 ARG 15 2HH2 ARG 15 -7.816 -5.565 -10.934
122 H LYS 16 H LYS 16 -5.712 -4.111 -2.198
123 HA LYS 16 HA LYS 16 -5.345 -1.615 -0.745
124 HB2 LYS 16 2HB LYS 16 -6.465 -4.127 0.445
125 HB3 LYS 16 3HB LYS 16 -5.463 -3.070 1.430
126 HG2 LYS 16 2HG LYS 16 -7.896 -2.109 -0.050
127 HG3 LYS 16 3HG LYS 16 -7.943 -2.713 1.609
128 HD2 LYS 16 2HD LYS 16 -5.961 -0.598 0.930
129 HD3 LYS 16 3HD LYS 16 -7.659 -0.137 1.078
130 HE2 LYS 16 2HE LYS 16 -6.972 0.149 3.241
131 HE3 LYS 16 3HE LYS 16 -7.495 -1.532 3.304
132 HZ1 LYS 16 2HZ LYS 16 -5.213 -0.893 4.273
133 HZ2 LYS 16 3HZ LYS 16 -4.695 -0.878 2.663
134 HZ3 LYS 16 1HZ LYS 16 -5.333 -2.293 3.335
135 H CYS 17 H CYS 17 -3.521 -1.817 0.861
136 HA CYS 17 HA CYS 17 -1.502 -3.712 -0.147
137 HB2 CYS 17 2HB CYS 17 -1.179 -0.851 0.763
138 HB3 CYS 17 3HB CYS 17 0.178 -1.947 0.527
139 H LYS 18 H LYS 18 -1.068 -5.218 1.311
140 HA LYS 18 HA LYS 18 -1.830 -5.258 3.960
141 HB2 LYS 18 2HB LYS 18 -1.143 -7.283 2.879
142 HB3 LYS 18 3HB LYS 18 0.471 -6.648 2.587
143 HG2 LYS 18 2HG LYS 18 0.718 -6.535 5.111
144 HG3 LYS 18 3HG LYS 18 -0.745 -7.517 5.188
145 HD2 LYS 18 2HD LYS 18 1.775 -8.269 3.707
146 HD3 LYS 18 3HD LYS 18 1.320 -8.868 5.303
147 HE2 LYS 18 2HE LYS 18 -0.024 -10.407 4.421
148 HE3 LYS 18 3HE LYS 18 -0.836 -9.206 3.416
149 HZ1 LYS 18 2HZ LYS 18 1.651 -9.621 2.280
150 HZ2 LYS 18 3HZ LYS 18 0.154 -10.129 1.679
151 HZ3 LYS 18 1HZ LYS 18 1.066 -11.160 2.663
152 HA PRO 19 HA PRO 19 0.866 -2.435 6.011
153 HB2 PRO 19 2HB PRO 19 0.577 -3.375 8.541
154 HB3 PRO 19 3HB PRO 19 -0.677 -2.444 7.713
155 HG2 PRO 19 2HG PRO 19 -0.449 -5.406 8.081
156 HG3 PRO 19 3HG PRO 19 -1.876 -4.366 8.235
157 HD2 PRO 19 2HD PRO 19 -1.391 -5.856 6.028
158 HD3 PRO 19 3HD PRO 19 -2.222 -4.289 5.958
159 HA PRO 20 HA PRO 20 1.862 -1.888 8.279
160 HB2 PRO 20 2HB PRO 20 4.244 -0.588 8.342
161 HB3 PRO 20 3HB PRO 20 3.781 -1.804 9.538
162 HG2 PRO 20 2HG PRO 20 5.532 -2.089 7.125
163 HG3 PRO 20 3HG PRO 20 5.767 -2.734 8.760
164 HD2 PRO 20 2HD PRO 20 4.829 -4.245 6.719
165 HD3 PRO 20 3HD PRO 20 4.334 -4.503 8.403
166 H LEU 21 H LEU 21 3.188 -2.474 5.218
167 HA LEU 21 HA LEU 21 3.682 -0.069 4.051
168 HB2 LEU 21 2HB LEU 21 1.927 -2.110 2.721
169 HB3 LEU 21 3HB LEU 21 3.087 -1.016 1.972
170 HG LEU 21 HG LEU 21 3.756 -3.400 3.697
171 HD11 LEU 21 2HD1 LEU 21 3.753 -2.925 0.737
172 HD12 LEU 21 3HD1 LEU 21 3.053 -4.263 1.649
173 HD13 LEU 21 1HD1 LEU 21 4.803 -4.134 1.475
174 HD21 LEU 21 1HD2 LEU 21 5.924 -2.326 2.147
175 HD22 LEU 21 2HD2 LEU 21 5.824 -2.611 3.884
176 HD23 LEU 21 3HD2 LEU 21 5.254 -1.085 3.207
177 H LYS 22 H LYS 22 2.546 1.653 3.278
178 HA LYS 22 HA LYS 22 -0.359 1.665 3.762
179 HB2 LYS 22 2HB LYS 22 1.560 3.961 4.202
180 HB3 LYS 22 3HB LYS 22 -0.185 4.027 4.414
181 HG2 LYS 22 2HG LYS 22 1.684 2.272 5.994
182 HG3 LYS 22 3HG LYS 22 1.023 3.816 6.540
183 HD2 LYS 22 2HD LYS 22 -1.275 2.740 6.047
184 HD3 LYS 22 3HD LYS 22 -0.390 1.213 6.068
185 HE2 LYS 22 2HE LYS 22 -1.181 1.482 8.260
186 HE3 LYS 22 3HE LYS 22 0.514 1.961 8.331
187 HZ1 LYS 22 2HZ LYS 22 -0.223 3.819 9.272
188 HZ2 LYS 22 3HZ LYS 22 -1.833 3.508 8.856
189 HZ3 LYS 22 1HZ LYS 22 -0.806 4.274 7.750
190 H CYS 23 H CYS 23 -1.612 3.016 2.377
191 HA CYS 23 HA CYS 23 -0.418 3.299 -0.274
192 HB2 CYS 23 2HB CYS 23 -3.301 3.448 0.634
193 HB3 CYS 23 3HB CYS 23 -2.762 3.584 -1.038
194 H ASN 24 H ASN 24 -0.297 5.209 -1.386
195 HA ASN 24 HA ASN 24 -1.063 7.642 0.088
196 HB2 ASN 24 2HB ASN 24 0.931 8.739 -0.611
197 HB3 ASN 24 3HB ASN 24 1.427 7.169 0.011
198 HD21 ASN 24 1HD2 ASN 24 1.579 5.427 -1.681
199 HD22 ASN 24 2HD2 ASN 24 2.292 5.870 -3.190
200 H LYS 25 H LYS 25 -0.485 9.523 -1.810
201 HA LYS 25 HA LYS 25 -2.748 9.520 -3.431
202 HB2 LYS 25 2HB LYS 25 -1.800 11.456 -4.525
203 HB3 LYS 25 3HB LYS 25 -1.454 11.540 -2.803
204 HG2 LYS 25 2HG LYS 25 0.807 10.535 -3.358
205 HG3 LYS 25 3HG LYS 25 0.423 10.874 -5.047
206 HD2 LYS 25 2HD LYS 25 1.706 12.708 -4.209
207 HD3 LYS 25 3HD LYS 25 0.039 13.259 -4.392
208 HE2 LYS 25 2HE LYS 25 -0.349 13.192 -2.076
209 HE3 LYS 25 3HE LYS 25 1.082 12.206 -1.780
210 HZ1 LYS 25 2HZ LYS 25 2.169 14.076 -1.371
211 HZ2 LYS 25 3HZ LYS 25 0.846 15.024 -1.833
212 HZ3 LYS 25 1HZ LYS 25 1.975 14.525 -2.990
213 H ALA 26 H ALA 26 0.342 8.065 -3.920
214 HA ALA 26 HA ALA 26 0.046 7.782 -6.779
215 HB1 ALA 26 2HB ALA 26 2.060 6.155 -6.324
216 HB2 ALA 26 3HB ALA 26 2.274 7.904 -6.261
217 HB3 ALA 26 1HB ALA 26 2.090 6.985 -4.766
218 H GLN 27 H GLN 27 -1.748 6.509 -4.536
219 HA GLN 27 HA GLN 27 -2.739 4.478 -4.085
220 HB2 GLN 27 2HB GLN 27 -3.606 3.445 -6.280
221 HB3 GLN 27 3HB GLN 27 -4.115 5.079 -5.875
222 HG2 GLN 27 2HG GLN 27 -2.358 5.958 -7.366
223 HG3 GLN 27 3HG GLN 27 -1.956 4.303 -7.822
224 HE21 GLN 27 1HE2 GLN 27 -4.801 6.411 -7.573
225 HE22 GLN 27 2HE2 GLN 27 -5.522 5.898 -9.055
226 H ILE 28 H ILE 28 -0.133 4.045 -3.698
227 HA ILE 28 HA ILE 28 0.231 1.343 -4.775
228 HB ILE 28 HB ILE 28 2.682 1.762 -4.997
229 HG12 ILE 28 2HG1 ILE 28 1.961 4.691 -4.970
230 HG13 ILE 28 3HG1 ILE 28 2.576 3.861 -3.545
231 HG21 ILE 28 1HG2 ILE 28 2.141 3.499 -7.039
232 HG22 ILE 28 2HG2 ILE 28 1.941 1.749 -7.109
233 HG23 ILE 28 3HG2 ILE 28 0.561 2.780 -6.730
234 HD11 ILE 28 2HD1 ILE 28 3.966 4.462 -6.120
235 HD12 ILE 28 3HD1 ILE 28 4.459 4.837 -4.468
236 HD13 ILE 28 1HD1 ILE 28 4.537 3.176 -5.056
237 H CYS 29 H CYS 29 2.037 0.188 -3.555
238 HA CYS 29 HA CYS 29 1.569 0.595 -0.713
239 HB2 CYS 29 2HB CYS 29 3.225 -1.606 -1.936
240 HB3 CYS 29 3HB CYS 29 2.374 -1.605 -0.394
241 H VAL 30 H VAL 30 2.908 1.747 0.492
242 HA VAL 30 HA VAL 30 5.784 1.585 0.037
243 HB VAL 30 HB VAL 30 5.954 4.106 0.308
244 HG11 VAL 30 2HG1 VAL 30 6.007 4.431 -1.984
245 HG12 VAL 30 3HG1 VAL 30 6.141 2.677 -1.849
246 HG13 VAL 30 1HG1 VAL 30 4.593 3.412 -2.264
247 HG21 VAL 30 1HG2 VAL 30 4.146 5.424 0.343
248 HG22 VAL 30 2HG2 VAL 30 3.341 4.511 -0.935
249 HG23 VAL 30 3HG2 VAL 30 3.253 3.955 0.738
250 H ASP 31 H ASP 31 6.741 1.231 1.920
251 HA ASP 31 HA ASP 31 5.506 1.098 4.372
252 HB2 ASP 31 2HB ASP 31 8.409 1.646 3.731
253 HB3 ASP 31 3HB ASP 31 7.820 1.268 5.347
254 HA PRO 32 HA PRO 32 4.905 5.209 5.797
255 HB2 PRO 32 2HB PRO 32 5.055 4.815 8.479
256 HB3 PRO 32 3HB PRO 32 3.675 4.291 7.508
257 HG2 PRO 32 2HG PRO 32 6.006 2.697 8.502
258 HG3 PRO 32 3HG PRO 32 4.287 2.265 8.470
259 HD2 PRO 32 2HD PRO 32 6.051 1.363 6.625
260 HD3 PRO 32 3HD PRO 32 4.347 1.680 6.241
261 H ASN 33 H ASN 33 7.790 3.458 6.508
262 HA ASN 33 HA ASN 33 9.115 5.918 7.429
263 HB2 ASN 33 2HB ASN 33 9.776 3.004 7.832
264 HB3 ASN 33 3HB ASN 33 10.950 4.278 8.142
265 HD21 ASN 33 1HD2 ASN 33 8.447 2.458 9.410
266 HD22 ASN 33 2HD2 ASN 33 8.169 3.366 10.853
267 H LYS 34 H LYS 34 8.473 5.150 4.635
268 HA LYS 34 HA LYS 34 11.015 4.501 3.422
269 HB2 LYS 34 2HB LYS 34 8.910 3.704 2.430
270 HB3 LYS 34 3HB LYS 34 8.401 5.366 2.167
271 HG2 LYS 34 2HG LYS 34 9.193 4.841 0.094
272 HG3 LYS 34 3HG LYS 34 10.653 5.508 0.827
273 HD2 LYS 34 2HD LYS 34 11.323 3.185 1.439
274 HD3 LYS 34 3HD LYS 34 9.934 2.594 0.525
275 HE2 LYS 34 2HE LYS 34 12.144 4.295 -0.622
276 HE3 LYS 34 3HE LYS 34 12.070 2.538 -0.745
277 HZ1 LYS 34 2HZ LYS 34 11.023 3.010 -2.661
278 HZ2 LYS 34 3HZ LYS 34 10.555 4.560 -2.170
279 HZ3 LYS 34 1HZ LYS 34 9.666 3.210 -1.672
280 H GLY 35 H GLY 35 8.905 7.346 3.665
281 HA2 GLY 35 2HA GLY 35 10.253 9.446 4.064
282 HA3 GLY 35 3HA GLY 35 11.137 8.975 2.620
283 H TRP 36 H TRP 36 7.663 8.645 3.050
284 HA TRP 36 HA TRP 36 7.298 10.611 0.889
285 HB2 TRP 36 2HB TRP 36 5.281 9.415 0.271
286 HB3 TRP 36 3HB TRP 36 6.626 8.280 0.350
287 HD1 TRP 36 1HD TRP 36 6.606 6.490 2.355
288 HE1 TRP 36 1HE TRP 36 4.692 5.598 3.826
289 HE3 TRP 36 3HE TRP 36 3.101 10.085 1.393
290 HZ2 TRP 36 2HZ TRP 36 2.046 6.322 4.489
291 HZ3 TRP 36 3HZ TRP 36 0.903 9.911 2.486
292 HH2 TRP 36 2HH TRP 36 0.388 8.069 4.001
Start of MODEL 14
1 H1 ASP 1 H ASP 1 -14.820 -8.590 -1.204
2 HA ASP 1 HA ASP 1 -13.140 -6.887 -2.382
3 HB2 ASP 1 2HB ASP 1 -13.573 -7.440 0.174
4 HB3 ASP 1 3HB ASP 1 -12.015 -8.249 0.025
5 H PHE 2 H PHE 2 -10.758 -6.802 -2.591
6 HA PHE 2 HA PHE 2 -9.798 -9.268 -3.847
7 HB2 PHE 2 2HB PHE 2 -9.188 -6.365 -4.198
8 HB3 PHE 2 3HB PHE 2 -7.940 -7.539 -4.604
9 HD1 PHE 2 1HD PHE 2 -9.207 -9.694 -5.885
10 HD2 PHE 2 2HD PHE 2 -10.229 -5.567 -6.071
11 HE1 PHE 2 1HE PHE 2 -10.261 -10.058 -8.079
12 HE2 PHE 2 2HE PHE 2 -11.286 -5.923 -8.264
13 HZ PHE 2 HZ PHE 2 -11.304 -8.171 -9.271
14 HA PRO 3 HA PRO 3 -6.720 -10.095 -0.833
15 HB2 PRO 3 2HB PRO 3 -4.614 -10.886 -2.352
16 HB3 PRO 3 3HB PRO 3 -6.063 -11.874 -2.131
17 HG2 PRO 3 2HG PRO 3 -5.312 -10.095 -4.419
18 HG3 PRO 3 3HG PRO 3 -6.028 -11.717 -4.451
19 HD2 PRO 3 2HD PRO 3 -7.496 -9.470 -4.809
20 HD3 PRO 3 3HD PRO 3 -8.152 -10.925 -4.032
21 H LEU 4 H LEU 4 -4.598 -9.485 -0.010
22 HA LEU 4 HA LEU 4 -4.075 -6.702 -0.395
23 HB2 LEU 4 2HB LEU 4 -2.400 -8.688 1.124
24 HB3 LEU 4 3HB LEU 4 -2.433 -6.939 1.328
25 HG LEU 4 HG LEU 4 -4.800 -8.706 1.917
26 HD11 LEU 4 2HD1 LEU 4 -4.178 -8.628 4.244
27 HD12 LEU 4 3HD1 LEU 4 -2.741 -7.679 3.865
28 HD13 LEU 4 1HD1 LEU 4 -2.867 -9.349 3.311
29 HD21 LEU 4 1HD2 LEU 4 -4.446 -5.913 1.737
30 HD22 LEU 4 2HD2 LEU 4 -4.619 -6.303 3.448
31 HD23 LEU 4 3HD2 LEU 4 -5.864 -6.798 2.299
32 H SER 5 H SER 5 -2.105 -5.743 -1.080
33 HA SER 5 HA SER 5 -0.693 -7.357 -3.089
34 HB2 SER 5 2HB SER 5 -0.387 -4.392 -2.983
35 HB3 SER 5 3HB SER 5 -0.450 -5.467 -4.379
36 HG SER 5 HG SER 5 -2.648 -5.573 -4.198
37 H LYS 6 H LYS 6 1.632 -6.728 -3.443
38 HA LYS 6 HA LYS 6 2.975 -6.680 -0.851
39 HB2 LYS 6 2HB LYS 6 4.822 -7.669 -1.901
40 HB3 LYS 6 3HB LYS 6 3.438 -8.410 -2.692
41 HG2 LYS 6 2HG LYS 6 3.897 -6.260 -4.297
42 HG3 LYS 6 3HG LYS 6 5.532 -6.685 -3.783
43 HD2 LYS 6 2HD LYS 6 3.818 -8.944 -4.586
44 HD3 LYS 6 3HD LYS 6 4.256 -7.824 -5.877
45 HE2 LYS 6 2HE LYS 6 6.645 -8.071 -5.141
46 HE3 LYS 6 3HE LYS 6 6.109 -9.363 -4.066
47 HZ1 LYS 6 2HZ LYS 6 5.191 -10.480 -6.078
48 HZ2 LYS 6 3HZ LYS 6 6.878 -10.356 -6.061
49 HZ3 LYS 6 1HZ LYS 6 5.962 -9.313 -7.028
50 H GLU 7 H GLU 7 5.251 -5.569 -0.990
51 HA GLU 7 HA GLU 7 4.895 -2.835 -1.012
52 HB2 GLU 7 2HB GLU 7 7.272 -2.623 -0.840
53 HB3 GLU 7 3HB GLU 7 6.804 -4.079 0.028
54 HG2 GLU 7 2HG GLU 7 7.321 -5.006 -2.508
55 HG3 GLU 7 3HG GLU 7 8.543 -3.757 -2.274
56 H TYR 8 H TYR 8 5.097 -1.215 -2.478
57 HA TYR 8 HA TYR 8 5.135 -0.171 -4.497
58 HB2 TYR 8 2HB TYR 8 6.981 -2.373 -5.421
59 HB3 TYR 8 3HB TYR 8 6.885 -0.722 -6.024
60 HD1 TYR 8 2HD TYR 8 6.848 0.804 -3.486
61 HD2 TYR 8 1HD TYR 8 9.174 -2.567 -4.642
62 HE1 TYR 8 2HE TYR 8 8.609 1.484 -1.910
63 HE2 TYR 8 1HE TYR 8 10.940 -1.896 -3.068
64 HH TYR 8 HH TYR 8 11.615 0.566 -2.000
65 H GLU 9 H GLU 9 2.885 -1.438 -4.271
66 HA GLU 9 HA GLU 9 2.442 -2.623 -6.916
67 HB2 GLU 9 2HB GLU 9 2.593 -4.331 -4.949
68 HB3 GLU 9 3HB GLU 9 0.994 -3.730 -4.534
69 HG2 GLU 9 2HG GLU 9 0.871 -5.750 -5.883
70 HG3 GLU 9 3HG GLU 9 0.158 -4.372 -6.718
71 H SER 10 H SER 10 0.253 -2.449 -7.679
72 HA SER 10 HA SER 10 -0.900 0.045 -7.305
73 HB2 SER 10 2HB SER 10 -2.355 -2.439 -8.235
74 HB3 SER 10 3HB SER 10 -2.775 -0.766 -8.601
75 HG SER 10 HG SER 10 -1.051 -2.392 -9.866
76 H CYS 11 H CYS 11 -2.603 0.833 -6.118
77 HA CYS 11 HA CYS 11 -3.679 -0.947 -4.031
78 HB2 CYS 11 2HB CYS 11 -1.988 0.716 -3.186
79 HB3 CYS 11 3HB CYS 11 -3.091 1.997 -3.681
80 H VAL 12 H VAL 12 -4.441 0.695 -6.729
81 HA VAL 12 HA VAL 12 -6.602 2.298 -6.301
82 HB VAL 12 HB VAL 12 -6.464 0.182 -8.453
83 HG11 VAL 12 2HG1 VAL 12 -7.640 2.536 -9.409
84 HG12 VAL 12 3HG1 VAL 12 -8.432 0.994 -9.090
85 HG13 VAL 12 1HG1 VAL 12 -8.381 2.232 -7.837
86 HG21 VAL 12 1HG2 VAL 12 -4.506 1.286 -8.848
87 HG22 VAL 12 2HG2 VAL 12 -5.614 2.346 -9.719
88 HG23 VAL 12 3HG2 VAL 12 -5.068 2.782 -8.099
89 H ARG 13 H ARG 13 -8.187 1.958 -4.875
90 HA ARG 13 HA ARG 13 -9.118 -0.341 -3.783
91 HB2 ARG 13 2HB ARG 13 -10.637 2.166 -4.493
92 HB3 ARG 13 3HB ARG 13 -11.350 0.861 -3.555
93 HG2 ARG 13 2HG ARG 13 -9.915 1.214 -1.749
94 HG3 ARG 13 3HG ARG 13 -8.784 2.158 -2.719
95 HD2 ARG 13 2HD ARG 13 -9.910 3.755 -1.437
96 HD3 ARG 13 3HD ARG 13 -10.709 3.819 -3.009
97 HE ARG 13 HE ARG 13 -12.074 2.003 -1.358
98 HH11 ARG 13 1HH1 ARG 13 -11.478 5.419 -1.674
99 HH12 ARG 13 2HH1 ARG 13 -12.974 5.881 -0.930
100 HH21 ARG 13 1HH2 ARG 13 -14.046 2.600 -0.377
101 HH22 ARG 13 2HH2 ARG 13 -14.432 4.277 -0.193
102 HA PRO 14 HA PRO 14 -11.292 -1.043 -3.047
103 HB2 PRO 14 2HB PRO 14 -11.827 -3.699 -2.890
104 HB3 PRO 14 3HB PRO 14 -13.044 -2.499 -3.338
105 HG2 PRO 14 2HG PRO 14 -11.425 -4.303 -5.096
106 HG3 PRO 14 3HG PRO 14 -13.148 -3.895 -5.195
107 HD2 PRO 14 2HD PRO 14 -11.283 -2.736 -6.779
108 HD3 PRO 14 3HD PRO 14 -12.740 -1.880 -6.236
109 H ARG 15 H ARG 15 -8.991 -2.417 -5.101
110 HA ARG 15 HA ARG 15 -7.559 -4.230 -3.662
111 HB2 ARG 15 2HB ARG 15 -6.326 -1.938 -5.201
112 HB3 ARG 15 3HB ARG 15 -5.574 -3.487 -4.844
113 HG2 ARG 15 2HG ARG 15 -7.276 -4.608 -6.220
114 HG3 ARG 15 3HG ARG 15 -7.969 -3.032 -6.612
115 HD2 ARG 15 2HD ARG 15 -6.248 -2.467 -7.995
116 HD3 ARG 15 3HD ARG 15 -5.066 -3.410 -7.088
117 HE ARG 15 HE ARG 15 -6.637 -5.308 -8.189
118 HH11 ARG 15 1HH1 ARG 15 -4.970 -2.546 -9.499
119 HH12 ARG 15 2HH1 ARG 15 -4.722 -3.270 -11.054
120 HH21 ARG 15 1HH2 ARG 15 -6.316 -6.271 -10.232
121 HH22 ARG 15 2HH2 ARG 15 -5.489 -5.387 -11.469
122 H LYS 16 H LYS 16 -5.715 -4.094 -2.263
123 HA LYS 16 HA LYS 16 -5.327 -1.584 -0.827
124 HB2 LYS 16 2HB LYS 16 -6.483 -4.081 0.338
125 HB3 LYS 16 3HB LYS 16 -5.407 -3.109 1.333
126 HG2 LYS 16 2HG LYS 16 -7.523 -1.607 -0.041
127 HG3 LYS 16 3HG LYS 16 -8.080 -2.758 1.175
128 HD2 LYS 16 2HD LYS 16 -7.761 -0.735 2.335
129 HD3 LYS 16 3HD LYS 16 -6.348 -1.719 2.724
130 HE2 LYS 16 2HE LYS 16 -5.615 0.514 2.247
131 HE3 LYS 16 3HE LYS 16 -5.103 -0.538 0.928
132 HZ1 LYS 16 2HZ LYS 16 -7.625 0.985 0.761
133 HZ2 LYS 16 3HZ LYS 16 -6.692 0.340 -0.494
134 HZ3 LYS 16 1HZ LYS 16 -6.151 1.703 0.349
135 H CYS 17 H CYS 17 -3.514 -1.836 0.821
136 HA CYS 17 HA CYS 17 -1.480 -3.693 -0.231
137 HB2 CYS 17 2HB CYS 17 -1.166 -0.844 0.725
138 HB3 CYS 17 3HB CYS 17 0.194 -1.931 0.465
139 H LYS 18 H LYS 18 -1.016 -5.211 1.204
140 HA LYS 18 HA LYS 18 -1.786 -5.304 3.849
141 HB2 LYS 18 2HB LYS 18 -1.064 -7.300 2.731
142 HB3 LYS 18 3HB LYS 18 0.544 -6.637 2.467
143 HG2 LYS 18 2HG LYS 18 0.773 -6.571 4.992
144 HG3 LYS 18 3HG LYS 18 -0.686 -7.564 5.043
145 HD2 LYS 18 2HD LYS 18 1.850 -8.275 3.570
146 HD3 LYS 18 3HD LYS 18 1.385 -8.905 5.151
147 HE2 LYS 18 2HE LYS 18 0.292 -10.535 4.108
148 HE3 LYS 18 3HE LYS 18 -0.829 -9.322 3.492
149 HZ1 LYS 18 2HZ LYS 18 0.110 -9.357 1.459
150 HZ2 LYS 18 3HZ LYS 18 0.599 -10.909 1.923
151 HZ3 LYS 18 1HZ LYS 18 1.677 -9.610 2.045
152 HA PRO 19 HA PRO 19 0.863 -2.472 5.950
153 HB2 PRO 19 2HB PRO 19 0.573 -3.450 8.467
154 HB3 PRO 19 3HB PRO 19 -0.688 -2.523 7.644
155 HG2 PRO 19 2HG PRO 19 -0.426 -5.486 7.974
156 HG3 PRO 19 3HG PRO 19 -1.867 -4.466 8.134
157 HD2 PRO 19 2HD PRO 19 -1.352 -5.921 5.910
158 HD3 PRO 19 3HD PRO 19 -2.201 -4.363 5.856
159 HA PRO 20 HA PRO 20 1.843 -1.939 8.225
160 HB2 PRO 20 2HB PRO 20 4.210 -0.611 8.312
161 HB3 PRO 20 3HB PRO 20 3.757 -1.846 9.493
162 HG2 PRO 20 2HG PRO 20 5.520 -2.084 7.085
163 HG3 PRO 20 3HG PRO 20 5.756 -2.744 8.715
164 HD2 PRO 20 2HD PRO 20 4.845 -4.244 6.653
165 HD3 PRO 20 3HD PRO 20 4.346 -4.526 8.333
166 H LEU 21 H LEU 21 3.186 -2.478 5.164
167 HA LEU 21 HA LEU 21 3.653 -0.047 4.029
168 HB2 LEU 21 2HB LEU 21 1.947 -2.102 2.654
169 HB3 LEU 21 3HB LEU 21 3.105 -0.984 1.936
170 HG LEU 21 HG LEU 21 3.774 -3.383 3.641
171 HD11 LEU 21 2HD1 LEU 21 4.859 -4.092 1.440
172 HD12 LEU 21 3HD1 LEU 21 3.842 -2.865 0.686
173 HD13 LEU 21 1HD1 LEU 21 3.104 -4.208 1.558
174 HD21 LEU 21 1HD2 LEU 21 6.064 -2.887 3.242
175 HD22 LEU 21 2HD2 LEU 21 5.318 -1.413 3.857
176 HD23 LEU 21 3HD2 LEU 21 5.655 -1.578 2.133
177 H LYS 22 H LYS 22 2.491 1.662 3.269
178 HA LYS 22 HA LYS 22 -0.419 1.612 3.733
179 HB2 LYS 22 2HB LYS 22 1.499 3.895 4.239
180 HB3 LYS 22 3HB LYS 22 -0.252 4.019 4.338
181 HG2 LYS 22 2HG LYS 22 0.889 1.862 5.952
182 HG3 LYS 22 3HG LYS 22 1.401 3.483 6.428
183 HD2 LYS 22 2HD LYS 22 -1.490 2.960 5.901
184 HD3 LYS 22 3HD LYS 22 -0.781 2.428 7.427
185 HE2 LYS 22 2HE LYS 22 -1.407 4.518 8.056
186 HE3 LYS 22 3HE LYS 22 0.176 4.912 7.385
187 HZ1 LYS 22 2HZ LYS 22 -2.189 6.031 6.649
188 HZ2 LYS 22 3HZ LYS 22 -1.898 4.917 5.409
189 HZ3 LYS 22 1HZ LYS 22 -0.747 6.104 5.769
190 H CYS 23 H CYS 23 -1.665 3.079 2.398
191 HA CYS 23 HA CYS 23 -0.482 3.346 -0.267
192 HB2 CYS 23 2HB CYS 23 -3.367 3.467 0.637
193 HB3 CYS 23 3HB CYS 23 -2.827 3.617 -1.031
194 H ASN 24 H ASN 24 -0.371 5.265 -1.362
195 HA ASN 24 HA ASN 24 -1.152 7.679 0.134
196 HB2 ASN 24 2HB ASN 24 0.830 8.797 -0.568
197 HB3 ASN 24 3HB ASN 24 1.340 7.227 0.044
198 HD21 ASN 24 1HD2 ASN 24 1.517 5.498 -1.650
199 HD22 ASN 24 2HD2 ASN 24 2.214 5.955 -3.163
200 H LYS 25 H LYS 25 -0.593 9.580 -1.752
201 HA LYS 25 HA LYS 25 -2.864 9.575 -3.363
202 HB2 LYS 25 2HB LYS 25 -0.297 11.116 -3.792
203 HB3 LYS 25 3HB LYS 25 -1.856 11.499 -4.510
204 HG2 LYS 25 2HG LYS 25 -1.592 11.347 -1.542
205 HG3 LYS 25 3HG LYS 25 -1.036 12.782 -2.406
206 HD2 LYS 25 2HD LYS 25 -3.748 11.720 -3.020
207 HD3 LYS 25 3HD LYS 25 -3.510 12.588 -1.501
208 HE2 LYS 25 2HE LYS 25 -2.483 14.446 -2.847
209 HE3 LYS 25 3HE LYS 25 -3.013 13.595 -4.297
210 HZ1 LYS 25 2HZ LYS 25 -5.279 13.816 -3.619
211 HZ2 LYS 25 3HZ LYS 25 -4.563 15.347 -3.545
212 HZ3 LYS 25 1HZ LYS 25 -4.835 14.471 -2.123
213 H ALA 26 H ALA 26 0.239 8.153 -3.878
214 HA ALA 26 HA ALA 26 -0.068 7.892 -6.739
215 HB1 ALA 26 2HB ALA 26 1.986 7.048 -4.746
216 HB2 ALA 26 3HB ALA 26 1.964 6.302 -6.344
217 HB3 ALA 26 1HB ALA 26 2.160 8.048 -6.188
218 H GLN 27 H GLN 27 -1.835 6.580 -4.490
219 HA GLN 27 HA GLN 27 -2.810 4.540 -4.057
220 HB2 GLN 27 2HB GLN 27 -3.665 3.516 -6.272
221 HB3 GLN 27 3HB GLN 27 -4.208 5.129 -5.827
222 HG2 GLN 27 2HG GLN 27 -2.490 6.085 -7.309
223 HG3 GLN 27 3HG GLN 27 -2.034 4.453 -7.795
224 HE21 GLN 27 1HE2 GLN 27 -4.892 6.539 -7.558
225 HE22 GLN 27 2HE2 GLN 27 -5.621 6.000 -9.029
226 H ILE 28 H ILE 28 -0.203 4.121 -3.682
227 HA ILE 28 HA ILE 28 0.180 1.435 -4.790
228 HB ILE 28 HB ILE 28 2.623 1.871 -5.019
229 HG12 ILE 28 2HG1 ILE 28 1.972 4.803 -5.032
230 HG13 ILE 28 3HG1 ILE 28 2.403 3.994 -3.528
231 HG21 ILE 28 1HG2 ILE 28 2.057 3.657 -7.018
232 HG22 ILE 28 2HG2 ILE 28 1.892 1.906 -7.130
233 HG23 ILE 28 3HG2 ILE 28 0.493 2.899 -6.724
234 HD11 ILE 28 2HD1 ILE 28 4.462 3.173 -4.887
235 HD12 ILE 28 3HD1 ILE 28 4.070 4.536 -5.934
236 HD13 ILE 28 1HD1 ILE 28 4.426 4.809 -4.229
237 H CYS 29 H CYS 29 2.019 0.293 -3.588
238 HA CYS 29 HA CYS 29 1.537 0.646 -0.742
239 HB2 CYS 29 2HB CYS 29 3.230 -1.501 -2.008
240 HB3 CYS 29 3HB CYS 29 2.402 -1.540 -0.455
241 H VAL 30 H VAL 30 2.850 1.806 0.485
242 HA VAL 30 HA VAL 30 5.730 1.714 0.028
243 HB VAL 30 HB VAL 30 5.912 4.192 0.275
244 HG11 VAL 30 2HG1 VAL 30 4.465 3.093 -2.129
245 HG12 VAL 30 3HG1 VAL 30 5.204 4.695 -2.073
246 HG13 VAL 30 1HG1 VAL 30 6.208 3.255 -1.899
247 HG21 VAL 30 1HG2 VAL 30 3.337 4.903 -0.713
248 HG22 VAL 30 2HG2 VAL 30 3.133 3.969 0.768
249 HG23 VAL 30 3HG2 VAL 30 4.132 5.423 0.773
250 H ASP 31 H ASP 31 6.707 1.357 1.900
251 HA ASP 31 HA ASP 31 5.477 1.135 4.351
252 HB2 ASP 31 2HB ASP 31 8.369 1.811 3.771
253 HB3 ASP 31 3HB ASP 31 7.760 1.278 5.336
254 HA PRO 32 HA PRO 32 4.779 5.198 5.867
255 HB2 PRO 32 2HB PRO 32 4.947 4.751 8.539
256 HB3 PRO 32 3HB PRO 32 3.577 4.213 7.559
257 HG2 PRO 32 2HG PRO 32 5.949 2.657 8.514
258 HG3 PRO 32 3HG PRO 32 4.241 2.182 8.477
259 HD2 PRO 32 2HD PRO 32 6.023 1.364 6.608
260 HD3 PRO 32 3HD PRO 32 4.309 1.646 6.235
261 H ASN 33 H ASN 33 7.662 3.457 6.797
262 HA ASN 33 HA ASN 33 8.951 5.981 7.580
263 HB2 ASN 33 2HB ASN 33 10.694 4.528 8.612
264 HB3 ASN 33 3HB ASN 33 9.093 4.289 9.305
265 HD21 ASN 33 1HD2 ASN 33 8.078 2.349 9.078
266 HD22 ASN 33 2HD2 ASN 33 8.833 0.954 8.392
267 H LYS 34 H LYS 34 8.450 5.140 4.823
268 HA LYS 34 HA LYS 34 10.997 4.309 3.750
269 HB2 LYS 34 2HB LYS 34 8.553 3.922 2.825
270 HB3 LYS 34 3HB LYS 34 8.834 5.474 2.047
271 HG2 LYS 34 2HG LYS 34 10.992 3.496 1.748
272 HG3 LYS 34 3HG LYS 34 9.466 3.097 0.954
273 HD2 LYS 34 2HD LYS 34 10.297 4.347 -0.726
274 HD3 LYS 34 3HD LYS 34 9.736 5.702 0.257
275 HE2 LYS 34 2HE LYS 34 11.829 6.343 0.788
276 HE3 LYS 34 3HE LYS 34 12.406 4.685 0.943
277 HZ1 LYS 34 2HZ LYS 34 13.283 6.152 -0.966
278 HZ2 LYS 34 3HZ LYS 34 11.811 5.793 -1.718
279 HZ3 LYS 34 1HZ LYS 34 12.871 4.545 -1.294
280 H GLY 35 H GLY 35 8.985 7.235 3.345
281 HA2 GLY 35 2HA GLY 35 10.788 9.180 3.901
282 HA3 GLY 35 3HA GLY 35 11.220 8.708 2.264
283 H TRP 36 H TRP 36 8.404 8.085 1.598
284 HA TRP 36 HA TRP 36 7.673 10.474 0.401
285 HB2 TRP 36 2HB TRP 36 5.562 9.440 -0.101
286 HB3 TRP 36 3HB TRP 36 6.805 8.194 -0.179
287 HD1 TRP 36 1HD TRP 36 6.905 6.473 1.973
288 HE1 TRP 36 1HE TRP 36 4.999 5.619 3.476
289 HE3 TRP 36 3HE TRP 36 3.385 10.026 0.914
290 HZ2 TRP 36 2HZ TRP 36 2.352 6.354 4.126
291 HZ3 TRP 36 3HZ TRP 36 1.190 9.877 2.018
292 HH2 TRP 36 2HH TRP 36 0.687 8.078 3.590
Start of MODEL 15
1 H1 ASP 1 H ASP 1 -14.362 -8.374 -2.874
2 HA ASP 1 HA ASP 1 -12.906 -5.902 -2.466
3 HB2 ASP 1 2HB ASP 1 -12.588 -7.999 -0.343
4 HB3 ASP 1 3HB ASP 1 -12.143 -6.295 -0.294
5 H PHE 2 H PHE 2 -10.671 -6.110 -2.769
6 HA PHE 2 HA PHE 2 -9.896 -8.602 -4.105
7 HB2 PHE 2 2HB PHE 2 -9.018 -5.754 -4.330
8 HB3 PHE 2 3HB PHE 2 -7.878 -7.025 -4.759
9 HD1 PHE 2 2HD PHE 2 -9.316 -9.000 -6.149
10 HD2 PHE 2 1HD PHE 2 -9.936 -4.789 -6.188
11 HE1 PHE 2 2HE PHE 2 -10.350 -9.177 -8.374
12 HE2 PHE 2 1HE PHE 2 -10.973 -4.959 -8.413
13 HZ PHE 2 HZ PHE 2 -11.180 -7.155 -9.509
14 HA PRO 3 HA PRO 3 -6.994 -9.794 -1.040
15 HB2 PRO 3 2HB PRO 3 -4.922 -10.721 -2.529
16 HB3 PRO 3 3HB PRO 3 -6.458 -11.582 -2.380
17 HG2 PRO 3 2HG PRO 3 -5.488 -9.806 -4.586
18 HG3 PRO 3 3HG PRO 3 -6.342 -11.357 -4.692
19 HD2 PRO 3 2HD PRO 3 -7.596 -8.978 -5.011
20 HD3 PRO 3 3HD PRO 3 -8.400 -10.394 -4.301
21 H LEU 4 H LEU 4 -4.853 -9.398 -0.139
22 HA LEU 4 HA LEU 4 -4.087 -6.667 -0.376
23 HB2 LEU 4 2HB LEU 4 -2.840 -8.984 1.088
24 HB3 LEU 4 3HB LEU 4 -2.267 -7.322 1.209
25 HG LEU 4 HG LEU 4 -5.121 -7.845 1.846
26 HD11 LEU 4 2HD1 LEU 4 -2.998 -9.284 3.105
27 HD12 LEU 4 3HD1 LEU 4 -4.726 -9.318 3.453
28 HD13 LEU 4 1HD1 LEU 4 -3.688 -8.136 4.251
29 HD21 LEU 4 1HD2 LEU 4 -3.442 -6.252 3.629
30 HD22 LEU 4 2HD2 LEU 4 -4.977 -5.854 2.859
31 HD23 LEU 4 3HD2 LEU 4 -3.468 -5.670 1.964
32 H SER 5 H SER 5 -2.025 -5.836 -0.982
33 HA SER 5 HA SER 5 -0.679 -7.482 -3.021
34 HB2 SER 5 2HB SER 5 -0.384 -4.510 -2.982
35 HB3 SER 5 3HB SER 5 -0.397 -5.620 -4.352
36 HG SER 5 HG SER 5 -2.741 -5.397 -2.865
37 H LYS 6 H LYS 6 1.653 -6.720 -3.407
38 HA LYS 6 HA LYS 6 2.981 -6.654 -0.796
39 HB2 LYS 6 2HB LYS 6 4.667 -7.880 -1.705
40 HB3 LYS 6 3HB LYS 6 3.404 -8.332 -2.844
41 HG2 LYS 6 2HG LYS 6 4.207 -6.430 -4.295
42 HG3 LYS 6 3HG LYS 6 5.601 -6.317 -3.218
43 HD2 LYS 6 2HD LYS 6 6.513 -8.253 -3.978
44 HD3 LYS 6 3HD LYS 6 4.942 -9.006 -4.265
45 HE2 LYS 6 2HE LYS 6 4.651 -7.706 -6.282
46 HE3 LYS 6 3HE LYS 6 6.148 -6.828 -5.970
47 HZ1 LYS 6 2HZ LYS 6 5.821 -9.226 -7.356
48 HZ2 LYS 6 3HZ LYS 6 6.692 -9.581 -5.949
49 HZ3 LYS 6 1HZ LYS 6 7.261 -8.404 -7.024
50 H GLU 7 H GLU 7 5.243 -5.535 -0.937
51 HA GLU 7 HA GLU 7 4.899 -2.812 -1.029
52 HB2 GLU 7 2HB GLU 7 7.322 -2.611 -1.006
53 HB3 GLU 7 3HB GLU 7 6.815 -3.928 0.041
54 HG2 GLU 7 2HG GLU 7 7.291 -4.966 -2.567
55 HG3 GLU 7 3HG GLU 7 8.674 -3.988 -2.077
56 H TYR 8 H TYR 8 5.183 -1.198 -2.515
57 HA TYR 8 HA TYR 8 5.141 -0.200 -4.559
58 HB2 TYR 8 2HB TYR 8 7.006 -2.405 -5.437
59 HB3 TYR 8 3HB TYR 8 6.875 -0.782 -6.104
60 HD1 TYR 8 1HD TYR 8 6.854 0.863 -3.659
61 HD2 TYR 8 2HD TYR 8 9.195 -2.550 -4.647
62 HE1 TYR 8 1HE TYR 8 8.618 1.637 -2.129
63 HE2 TYR 8 2HE TYR 8 10.963 -1.786 -3.119
64 HH TYR 8 HH TYR 8 11.677 -0.126 -1.812
65 H GLU 9 H GLU 9 2.896 -1.435 -4.319
66 HA GLU 9 HA GLU 9 2.439 -2.673 -6.932
67 HB2 GLU 9 2HB GLU 9 2.642 -4.378 -4.984
68 HB3 GLU 9 3HB GLU 9 1.061 -3.778 -4.505
69 HG2 GLU 9 2HG GLU 9 0.908 -5.807 -5.856
70 HG3 GLU 9 3HG GLU 9 0.126 -4.433 -6.635
71 H SER 10 H SER 10 0.248 -2.516 -7.680
72 HA SER 10 HA SER 10 -0.933 -0.041 -7.310
73 HB2 SER 10 2HB SER 10 -1.739 -2.591 -8.580
74 HB3 SER 10 3HB SER 10 -3.053 -1.486 -8.178
75 HG SER 10 HG SER 10 -1.518 0.122 -9.260
76 H CYS 11 H CYS 11 -2.628 0.742 -6.107
77 HA CYS 11 HA CYS 11 -3.650 -1.024 -3.980
78 HB2 CYS 11 2HB CYS 11 -1.974 0.652 -3.164
79 HB3 CYS 11 3HB CYS 11 -3.066 1.929 -3.690
80 H VAL 12 H VAL 12 -4.446 0.673 -6.669
81 HA VAL 12 HA VAL 12 -6.630 2.219 -6.221
82 HB VAL 12 HB VAL 12 -6.483 0.106 -8.375
83 HG11 VAL 12 2HG1 VAL 12 -8.684 0.992 -8.299
84 HG12 VAL 12 3HG1 VAL 12 -8.084 2.640 -8.102
85 HG13 VAL 12 1HG1 VAL 12 -7.859 1.797 -9.636
86 HG21 VAL 12 1HG2 VAL 12 -5.730 2.386 -9.592
87 HG22 VAL 12 2HG2 VAL 12 -5.060 2.660 -7.984
88 HG23 VAL 12 3HG2 VAL 12 -4.593 1.228 -8.901
89 H ARG 13 H ARG 13 -8.197 1.862 -4.781
90 HA ARG 13 HA ARG 13 -9.087 -0.459 -3.688
91 HB2 ARG 13 2HB ARG 13 -10.415 2.157 -4.224
92 HB3 ARG 13 3HB ARG 13 -11.405 0.825 -3.644
93 HG2 ARG 13 2HG ARG 13 -9.558 0.619 -1.815
94 HG3 ARG 13 3HG ARG 13 -9.202 2.287 -2.271
95 HD2 ARG 13 2HD ARG 13 -10.735 2.403 -0.473
96 HD3 ARG 13 3HD ARG 13 -11.654 2.774 -1.931
97 HE ARG 13 HE ARG 13 -11.779 0.004 -1.298
98 HH11 ARG 13 1HH1 ARG 13 -13.056 3.121 -0.416
99 HH12 ARG 13 2HH1 ARG 13 -14.547 2.483 0.192
100 HH21 ARG 13 1HH2 ARG 13 -13.739 -0.847 -0.501
101 HH22 ARG 13 2HH2 ARG 13 -14.935 0.226 0.145
102 HA PRO 14 HA PRO 14 -11.284 -1.133 -2.923
103 HB2 PRO 14 2HB PRO 14 -11.847 -3.785 -2.758
104 HB3 PRO 14 3HB PRO 14 -13.054 -2.572 -3.201
105 HG2 PRO 14 2HG PRO 14 -11.464 -4.396 -4.963
106 HG3 PRO 14 3HG PRO 14 -13.183 -3.970 -5.055
107 HD2 PRO 14 2HD PRO 14 -11.315 -2.835 -6.651
108 HD3 PRO 14 3HD PRO 14 -12.759 -1.962 -6.103
109 H ARG 15 H ARG 15 -9.002 -2.519 -4.984
110 HA ARG 15 HA ARG 15 -7.581 -4.354 -3.566
111 HB2 ARG 15 2HB ARG 15 -6.334 -2.050 -5.075
112 HB3 ARG 15 3HB ARG 15 -5.590 -3.606 -4.736
113 HG2 ARG 15 2HG ARG 15 -7.306 -4.699 -6.124
114 HG3 ARG 15 3HG ARG 15 -7.972 -3.111 -6.508
115 HD2 ARG 15 2HD ARG 15 -6.244 -2.567 -7.886
116 HD3 ARG 15 3HD ARG 15 -5.074 -3.514 -6.968
117 HE ARG 15 HE ARG 15 -5.561 -5.343 -8.275
118 HH11 ARG 15 1HH1 ARG 15 -7.902 -2.830 -8.842
119 HH12 ARG 15 2HH1 ARG 15 -8.604 -3.614 -10.220
120 HH21 ARG 15 1HH2 ARG 15 -6.475 -6.385 -10.087
121 HH22 ARG 15 2HH2 ARG 15 -7.791 -5.636 -10.926
122 H LYS 16 H LYS 16 -5.688 -4.220 -2.205
123 HA LYS 16 HA LYS 16 -5.326 -1.742 -0.709
124 HB2 LYS 16 2HB LYS 16 -6.446 -4.275 0.403
125 HB3 LYS 16 3HB LYS 16 -5.354 -3.333 1.411
126 HG2 LYS 16 2HG LYS 16 -7.627 -1.945 0.085
127 HG3 LYS 16 3HG LYS 16 -7.948 -2.960 1.493
128 HD2 LYS 16 2HD LYS 16 -5.739 -0.951 1.598
129 HD3 LYS 16 3HD LYS 16 -7.410 -0.417 1.792
130 HE2 LYS 16 2HE LYS 16 -6.096 -2.585 3.426
131 HE3 LYS 16 3HE LYS 16 -6.265 -0.907 3.939
132 HZ1 LYS 16 2HZ LYS 16 -8.338 -1.289 4.580
133 HZ2 LYS 16 3HZ LYS 16 -8.087 -2.937 4.298
134 HZ3 LYS 16 1HZ LYS 16 -8.758 -1.964 3.088
135 H CYS 17 H CYS 17 -3.465 -1.932 0.843
136 HA CYS 17 HA CYS 17 -1.426 -3.763 -0.245
137 HB2 CYS 17 2HB CYS 17 -1.160 -0.916 0.723
138 HB3 CYS 17 3HB CYS 17 0.224 -1.973 0.468
139 H LYS 18 H LYS 18 -0.870 -5.278 1.158
140 HA LYS 18 HA LYS 18 -1.610 -5.455 3.804
141 HB2 LYS 18 2HB LYS 18 -0.760 -7.363 2.549
142 HB3 LYS 18 3HB LYS 18 0.837 -6.631 2.471
143 HG2 LYS 18 2HG LYS 18 1.220 -7.998 4.217
144 HG3 LYS 18 3HG LYS 18 0.507 -6.663 5.126
145 HD2 LYS 18 2HD LYS 18 -0.698 -8.455 5.930
146 HD3 LYS 18 3HD LYS 18 -1.739 -7.901 4.616
147 HE2 LYS 18 2HE LYS 18 -1.510 -10.318 4.559
148 HE3 LYS 18 3HE LYS 18 -0.758 -9.594 3.139
149 HZ1 LYS 18 2HZ LYS 18 0.522 -11.411 4.327
150 HZ2 LYS 18 3HZ LYS 18 0.811 -10.278 5.549
151 HZ3 LYS 18 1HZ LYS 18 1.369 -9.990 3.979
152 HA PRO 19 HA PRO 19 0.906 -2.504 5.913
153 HB2 PRO 19 2HB PRO 19 0.594 -3.470 8.430
154 HB3 PRO 19 3HB PRO 19 -0.676 -2.584 7.577
155 HG2 PRO 19 2HG PRO 19 -0.340 -5.537 7.935
156 HG3 PRO 19 3HG PRO 19 -1.812 -4.555 8.059
157 HD2 PRO 19 2HD PRO 19 -1.214 -6.012 5.856
158 HD3 PRO 19 3HD PRO 19 -2.104 -4.477 5.774
159 HA PRO 20 HA PRO 20 1.821 -1.935 8.211
160 HB2 PRO 20 2HB PRO 20 4.148 -0.542 8.344
161 HB3 PRO 20 3HB PRO 20 3.704 -1.786 9.519
162 HG2 PRO 20 2HG PRO 20 5.525 -1.981 7.151
163 HG3 PRO 20 3HG PRO 20 5.744 -2.629 8.786
164 HD2 PRO 20 2HD PRO 20 4.919 -4.160 6.711
165 HD3 PRO 20 3HD PRO 20 4.392 -4.451 8.380
166 H LEU 21 H LEU 21 3.236 -2.448 5.181
167 HA LEU 21 HA LEU 21 3.680 -0.029 4.032
168 HB2 LEU 21 2HB LEU 21 1.986 -2.101 2.668
169 HB3 LEU 21 3HB LEU 21 3.128 -0.974 1.940
170 HG LEU 21 HG LEU 21 3.821 -3.367 3.643
171 HD11 LEU 21 2HD1 LEU 21 3.206 -4.214 1.567
172 HD12 LEU 21 3HD1 LEU 21 4.953 -4.012 1.427
173 HD13 LEU 21 1HD1 LEU 21 3.867 -2.830 0.697
174 HD21 LEU 21 1HD2 LEU 21 6.115 -2.845 3.240
175 HD22 LEU 21 2HD2 LEU 21 5.345 -1.405 3.910
176 HD23 LEU 21 3HD2 LEU 21 5.681 -1.502 2.180
177 H LYS 22 H LYS 22 2.519 1.675 3.258
178 HA LYS 22 HA LYS 22 -0.391 1.626 3.722
179 HB2 LYS 22 2HB LYS 22 1.524 3.918 4.197
180 HB3 LYS 22 3HB LYS 22 -0.227 4.039 4.302
181 HG2 LYS 22 2HG LYS 22 0.868 1.891 5.934
182 HG3 LYS 22 3HG LYS 22 1.475 3.488 6.376
183 HD2 LYS 22 2HD LYS 22 -0.423 3.436 7.648
184 HD3 LYS 22 3HD LYS 22 -1.084 4.125 6.163
185 HE2 LYS 22 2HE LYS 22 -2.200 2.208 5.611
186 HE3 LYS 22 3HE LYS 22 -1.036 1.166 6.425
187 HZ1 LYS 22 2HZ LYS 22 -2.845 2.950 7.936
188 HZ2 LYS 22 3HZ LYS 22 -1.990 1.602 8.495
189 HZ3 LYS 22 1HZ LYS 22 -3.319 1.396 7.468
190 H CYS 23 H CYS 23 -1.633 3.110 2.384
191 HA CYS 23 HA CYS 23 -0.461 3.330 -0.292
192 HB2 CYS 23 2HB CYS 23 -3.342 3.482 0.620
193 HB3 CYS 23 3HB CYS 23 -2.806 3.605 -1.051
194 H ASN 24 H ASN 24 -0.357 5.238 -1.415
195 HA ASN 24 HA ASN 24 -1.115 7.674 0.059
196 HB2 ASN 24 2HB ASN 24 0.871 8.772 -0.658
197 HB3 ASN 24 3HB ASN 24 1.377 7.203 -0.040
198 HD21 ASN 24 1HD2 ASN 24 1.526 5.461 -1.728
199 HD22 ASN 24 2HD2 ASN 24 2.220 5.906 -3.246
200 H LYS 25 H LYS 25 -0.550 9.548 -1.854
201 HA LYS 25 HA LYS 25 -2.828 9.540 -3.453
202 HB2 LYS 25 2HB LYS 25 -1.797 11.434 -4.641
203 HB3 LYS 25 3HB LYS 25 -1.638 11.590 -2.896
204 HG2 LYS 25 2HG LYS 25 0.682 10.435 -3.332
205 HG3 LYS 25 3HG LYS 25 0.444 11.083 -4.957
206 HD2 LYS 25 2HD LYS 25 -0.081 13.304 -3.742
207 HD3 LYS 25 3HD LYS 25 0.711 12.551 -2.357
208 HE2 LYS 25 2HE LYS 25 2.753 12.313 -3.551
209 HE3 LYS 25 3HE LYS 25 1.984 12.741 -5.079
210 HZ1 LYS 25 2HZ LYS 25 1.673 14.973 -4.304
211 HZ2 LYS 25 3HZ LYS 25 3.301 14.560 -4.101
212 HZ3 LYS 25 1HZ LYS 25 2.262 14.585 -2.767
213 H ALA 26 H ALA 26 0.262 8.089 -3.969
214 HA ALA 26 HA ALA 26 -0.068 7.789 -6.823
215 HB1 ALA 26 2HB ALA 26 2.165 7.920 -6.329
216 HB2 ALA 26 3HB ALA 26 2.001 7.004 -4.831
217 HB3 ALA 26 1HB ALA 26 1.953 6.170 -6.384
218 H GLN 27 H GLN 27 -1.825 6.519 -4.543
219 HA GLN 27 HA GLN 27 -2.807 4.491 -4.072
220 HB2 GLN 27 2HB GLN 27 -3.689 3.442 -6.262
221 HB3 GLN 27 3HB GLN 27 -4.215 5.065 -5.840
222 HG2 GLN 27 2HG GLN 27 -2.500 5.983 -7.350
223 HG3 GLN 27 3HG GLN 27 -2.066 4.338 -7.816
224 HE21 GLN 27 1HE2 GLN 27 -4.931 6.415 -7.551
225 HE22 GLN 27 2HE2 GLN 27 -5.667 5.879 -9.020
226 H ILE 28 H ILE 28 -0.198 4.063 -3.714
227 HA ILE 28 HA ILE 28 0.161 1.360 -4.791
228 HB ILE 28 HB ILE 28 2.606 1.780 -5.041
229 HG12 ILE 28 2HG1 ILE 28 1.922 4.714 -5.022
230 HG13 ILE 28 3HG1 ILE 28 2.475 3.888 -3.570
231 HG21 ILE 28 1HG2 ILE 28 2.030 3.550 -7.056
232 HG22 ILE 28 2HG2 ILE 28 1.867 1.798 -7.149
233 HG23 ILE 28 3HG2 ILE 28 0.469 2.792 -6.743
234 HD11 ILE 28 2HD1 ILE 28 3.957 4.470 -6.091
235 HD12 ILE 28 3HD1 ILE 28 4.417 4.788 -4.419
236 HD13 ILE 28 1HD1 ILE 28 4.459 3.141 -5.046
237 H CYS 29 H CYS 29 2.019 0.234 -3.591
238 HA CYS 29 HA CYS 29 1.547 0.610 -0.744
239 HB2 CYS 29 2HB CYS 29 3.252 -1.540 -1.985
240 HB3 CYS 29 3HB CYS 29 2.406 -1.571 -0.441
241 H VAL 30 H VAL 30 2.860 1.788 0.467
242 HA VAL 30 HA VAL 30 5.738 1.699 0.004
243 HB VAL 30 HB VAL 30 5.911 4.184 0.221
244 HG11 VAL 30 2HG1 VAL 30 5.864 4.484 -2.041
245 HG12 VAL 30 3HG1 VAL 30 5.751 2.725 -1.983
246 HG13 VAL 30 1HG1 VAL 30 4.298 3.693 -2.225
247 HG21 VAL 30 1HG2 VAL 30 3.134 3.955 0.705
248 HG22 VAL 30 2HG2 VAL 30 4.124 5.415 0.690
249 HG23 VAL 30 3HG2 VAL 30 3.336 4.867 -0.791
250 H ASP 31 H ASP 31 6.706 1.351 1.882
251 HA ASP 31 HA ASP 31 5.480 1.172 4.336
252 HB2 ASP 31 2HB ASP 31 8.376 1.865 3.791
253 HB3 ASP 31 3HB ASP 31 7.742 1.269 5.322
254 HA PRO 32 HA PRO 32 4.798 5.257 5.800
255 HB2 PRO 32 2HB PRO 32 4.978 4.847 8.477
256 HB3 PRO 32 3HB PRO 32 3.603 4.297 7.512
257 HG2 PRO 32 2HG PRO 32 5.978 2.752 8.478
258 HG3 PRO 32 3HG PRO 32 4.269 2.279 8.455
259 HD2 PRO 32 2HD PRO 32 6.040 1.431 6.591
260 HD3 PRO 32 3HD PRO 32 4.325 1.711 6.222
261 H ASN 33 H ASN 33 7.656 3.515 6.863
262 HA ASN 33 HA ASN 33 8.956 6.038 7.602
263 HB2 ASN 33 2HB ASN 33 9.452 3.165 8.272
264 HB3 ASN 33 3HB ASN 33 10.801 4.297 8.328
265 HD21 ASN 33 1HD2 ASN 33 7.375 4.570 9.204
266 HD22 ASN 33 2HD2 ASN 33 7.656 5.078 10.831
267 H LYS 34 H LYS 34 8.415 5.153 4.828
268 HA LYS 34 HA LYS 34 10.949 4.395 3.702
269 HB2 LYS 34 2HB LYS 34 8.850 3.727 2.632
270 HB3 LYS 34 3HB LYS 34 8.428 5.415 2.379
271 HG2 LYS 34 2HG LYS 34 9.227 4.668 0.313
272 HG3 LYS 34 3HG LYS 34 10.564 5.583 1.013
273 HD2 LYS 34 2HD LYS 34 10.484 2.686 1.608
274 HD3 LYS 34 3HD LYS 34 10.854 3.140 -0.056
275 HE2 LYS 34 2HE LYS 34 12.274 4.537 2.157
276 HE3 LYS 34 3HE LYS 34 12.752 2.888 1.757
277 HZ1 LYS 34 2HZ LYS 34 12.477 4.480 -0.584
278 HZ2 LYS 34 3HZ LYS 34 13.816 3.603 -0.037
279 HZ3 LYS 34 1HZ LYS 34 13.568 5.189 0.497
280 H GLY 35 H GLY 35 8.955 7.352 3.559
281 HA2 GLY 35 2HA GLY 35 10.717 9.285 4.086
282 HA3 GLY 35 3HA GLY 35 11.201 8.839 2.456
283 H TRP 36 H TRP 36 8.279 8.183 1.910
284 HA TRP 36 HA TRP 36 7.602 10.598 0.654
285 HB2 TRP 36 2HB TRP 36 5.538 9.551 0.057
286 HB3 TRP 36 3HB TRP 36 6.776 8.296 0.039
287 HD1 TRP 36 1HD TRP 36 6.779 6.604 2.226
288 HE1 TRP 36 1HE TRP 36 4.799 5.761 3.637
289 HE3 TRP 36 3HE TRP 36 3.308 10.129 0.937
290 HZ2 TRP 36 2HZ TRP 36 2.119 6.494 4.137
291 HZ3 TRP 36 3HZ TRP 36 1.059 9.986 1.927
292 HH2 TRP 36 2HH TRP 36 0.479 8.205 3.492
Start of MODEL 16
1 H1 ASP 1 H ASP 1 -14.449 -9.394 -2.014
2 HA ASP 1 HA ASP 1 -12.792 -7.002 -1.693
3 HB2 ASP 1 2HB ASP 1 -12.672 -9.572 -0.106
4 HB3 ASP 1 3HB ASP 1 -11.929 -8.029 0.306
5 H PHE 2 H PHE 2 -10.641 -6.942 -2.188
6 HA PHE 2 HA PHE 2 -9.645 -9.176 -3.811
7 HB2 PHE 2 2HB PHE 2 -9.148 -6.231 -3.800
8 HB3 PHE 2 3HB PHE 2 -7.865 -7.293 -4.369
9 HD1 PHE 2 2HD PHE 2 -11.385 -6.312 -4.926
10 HD2 PHE 2 1HD PHE 2 -7.944 -8.253 -6.510
11 HE1 PHE 2 2HE PHE 2 -12.471 -6.432 -7.131
12 HE2 PHE 2 1HE PHE 2 -9.024 -8.376 -8.717
13 HZ PHE 2 HZ PHE 2 -11.292 -7.466 -9.029
14 HA PRO 3 HA PRO 3 -6.475 -10.266 -0.984
15 HB2 PRO 3 2HB PRO 3 -4.375 -10.778 -2.628
16 HB3 PRO 3 3HB PRO 3 -5.785 -11.838 -2.511
17 HG2 PRO 3 2HG PRO 3 -5.147 -9.755 -4.564
18 HG3 PRO 3 3HG PRO 3 -5.807 -11.384 -4.792
19 HD2 PRO 3 2HD PRO 3 -7.359 -9.167 -4.832
20 HD3 PRO 3 3HD PRO 3 -7.947 -10.733 -4.237
21 H LEU 4 H LEU 4 -4.300 -9.718 -0.184
22 HA LEU 4 HA LEU 4 -3.871 -6.866 -0.304
23 HB2 LEU 4 2HB LEU 4 -2.409 -9.014 1.224
24 HB3 LEU 4 3HB LEU 4 -2.181 -7.278 1.430
25 HG LEU 4 HG LEU 4 -4.837 -8.603 1.909
26 HD11 LEU 4 2HD1 LEU 4 -4.296 -9.221 4.017
27 HD12 LEU 4 3HD1 LEU 4 -3.102 -7.939 4.208
28 HD13 LEU 4 1HD1 LEU 4 -2.696 -9.394 3.299
29 HD21 LEU 4 1HD2 LEU 4 -5.493 -6.522 2.301
30 HD22 LEU 4 2HD2 LEU 4 -3.875 -5.928 1.929
31 HD23 LEU 4 3HD2 LEU 4 -4.289 -6.382 3.582
32 H SER 5 H SER 5 -2.466 -5.860 -1.574
33 HA SER 5 HA SER 5 -0.764 -7.348 -3.340
34 HB2 SER 5 2HB SER 5 -0.624 -4.365 -2.999
35 HB3 SER 5 3HB SER 5 -0.390 -5.326 -4.459
36 HG SER 5 HG SER 5 -2.586 -4.135 -3.695
37 H LYS 6 H LYS 6 1.557 -6.733 -3.631
38 HA LYS 6 HA LYS 6 2.874 -6.782 -1.026
39 HB2 LYS 6 2HB LYS 6 4.758 -7.695 -2.118
40 HB3 LYS 6 3HB LYS 6 3.368 -8.463 -2.874
41 HG2 LYS 6 2HG LYS 6 3.758 -6.276 -4.468
42 HG3 LYS 6 3HG LYS 6 5.406 -6.723 -4.021
43 HD2 LYS 6 2HD LYS 6 3.578 -8.908 -4.844
44 HD3 LYS 6 3HD LYS 6 4.138 -7.805 -6.103
45 HE2 LYS 6 2HE LYS 6 5.868 -9.255 -6.198
46 HE3 LYS 6 3HE LYS 6 6.465 -8.282 -4.854
47 HZ1 LYS 6 2HZ LYS 6 5.755 -9.877 -3.309
48 HZ2 LYS 6 3HZ LYS 6 6.487 -10.771 -4.544
49 HZ3 LYS 6 1HZ LYS 6 4.800 -10.695 -4.440
50 H GLU 7 H GLU 7 5.201 -5.702 -1.189
51 HA GLU 7 HA GLU 7 4.849 -2.959 -1.071
52 HB2 GLU 7 2HB GLU 7 7.220 -2.770 -0.885
53 HB3 GLU 7 3HB GLU 7 6.758 -4.274 -0.102
54 HG2 GLU 7 2HG GLU 7 7.263 -5.128 -2.627
55 HG3 GLU 7 3HG GLU 7 8.421 -3.809 -2.464
56 H TYR 8 H TYR 8 4.997 -1.296 -2.479
57 HA TYR 8 HA TYR 8 5.023 -0.172 -4.456
58 HB2 TYR 8 2HB TYR 8 6.922 -2.306 -5.436
59 HB3 TYR 8 3HB TYR 8 6.781 -0.648 -6.011
60 HD1 TYR 8 2HD TYR 8 6.718 0.857 -3.481
61 HD2 TYR 8 1HD TYR 8 9.097 -2.479 -4.624
62 HE1 TYR 8 2HE TYR 8 8.458 1.559 -1.889
63 HE2 TYR 8 1HE TYR 8 10.843 -1.787 -3.036
64 HH TYR 8 HH TYR 8 10.428 0.152 -0.580
65 H GLU 9 H GLU 9 2.801 -1.513 -4.274
66 HA GLU 9 HA GLU 9 2.390 -2.606 -6.966
67 HB2 GLU 9 2HB GLU 9 2.534 -4.344 -4.994
68 HB3 GLU 9 3HB GLU 9 0.893 -3.804 -4.671
69 HG2 GLU 9 2HG GLU 9 0.844 -5.778 -6.038
70 HG3 GLU 9 3HG GLU 9 0.264 -4.399 -6.970
71 H SER 10 H SER 10 0.210 -2.431 -7.747
72 HA SER 10 HA SER 10 -0.976 0.028 -7.361
73 HB2 SER 10 2HB SER 10 -1.368 -1.911 -9.145
74 HB3 SER 10 3HB SER 10 -2.756 -2.245 -8.110
75 HG SER 10 HG SER 10 -2.586 -0.422 -9.974
76 H CYS 11 H CYS 11 -2.655 0.824 -6.147
77 HA CYS 11 HA CYS 11 -3.681 -0.934 -4.016
78 HB2 CYS 11 2HB CYS 11 -1.994 0.726 -3.200
79 HB3 CYS 11 3HB CYS 11 -3.068 2.014 -3.733
80 H VAL 12 H VAL 12 -4.467 0.804 -6.693
81 HA VAL 12 HA VAL 12 -6.655 2.341 -6.214
82 HB VAL 12 HB VAL 12 -6.499 0.284 -8.422
83 HG11 VAL 12 2HG1 VAL 12 -7.909 1.899 -9.655
84 HG12 VAL 12 3HG1 VAL 12 -8.709 1.237 -8.228
85 HG13 VAL 12 1HG1 VAL 12 -8.037 2.867 -8.185
86 HG21 VAL 12 1HG2 VAL 12 -4.639 1.405 -8.990
87 HG22 VAL 12 2HG2 VAL 12 -5.752 2.662 -9.526
88 HG23 VAL 12 3HG2 VAL 12 -5.014 2.762 -7.928
89 H ARG 13 H ARG 13 -8.277 1.969 -4.851
90 HA ARG 13 HA ARG 13 -9.156 -0.370 -3.780
91 HB2 ARG 13 2HB ARG 13 -10.553 2.210 -4.369
92 HB3 ARG 13 3HB ARG 13 -11.478 0.857 -3.729
93 HG2 ARG 13 2HG ARG 13 -9.735 0.755 -1.875
94 HG3 ARG 13 3HG ARG 13 -9.211 2.341 -2.445
95 HD2 ARG 13 2HD ARG 13 -11.895 1.557 -1.336
96 HD3 ARG 13 3HD ARG 13 -10.749 2.728 -0.684
97 HE ARG 13 HE ARG 13 -11.336 3.759 -3.102
98 HH11 ARG 13 1HH1 ARG 13 -13.316 2.606 -0.482
99 HH12 ARG 13 2HH1 ARG 13 -14.625 3.689 -0.822
100 HH21 ARG 13 1HH2 ARG 13 -13.053 5.189 -3.561
101 HH22 ARG 13 2HH2 ARG 13 -14.475 5.157 -2.574
102 HA PRO 14 HA PRO 14 -11.374 -1.060 -3.071
103 HB2 PRO 14 2HB PRO 14 -11.922 -3.715 -2.919
104 HB3 PRO 14 3HB PRO 14 -13.126 -2.512 -3.395
105 HG2 PRO 14 2HG PRO 14 -11.476 -4.323 -5.115
106 HG3 PRO 14 3HG PRO 14 -13.195 -3.911 -5.251
107 HD2 PRO 14 2HD PRO 14 -11.294 -2.761 -6.798
108 HD3 PRO 14 3HD PRO 14 -12.759 -1.899 -6.288
109 H ARG 15 H ARG 15 -9.033 -2.442 -5.072
110 HA ARG 15 HA ARG 15 -7.637 -4.261 -3.610
111 HB2 ARG 15 2HB ARG 15 -6.359 -1.960 -5.096
112 HB3 ARG 15 3HB ARG 15 -5.626 -3.518 -4.741
113 HG2 ARG 15 2HG ARG 15 -7.333 -4.602 -6.161
114 HG3 ARG 15 3HG ARG 15 -7.954 -3.004 -6.577
115 HD2 ARG 15 2HD ARG 15 -6.168 -2.502 -7.898
116 HD3 ARG 15 3HD ARG 15 -5.052 -3.478 -6.947
117 HE ARG 15 HE ARG 15 -5.546 -5.293 -8.270
118 HH11 ARG 15 1HH1 ARG 15 -7.817 -2.729 -8.894
119 HH12 ARG 15 2HH1 ARG 15 -8.502 -3.498 -10.287
120 HH21 ARG 15 1HH2 ARG 15 -6.440 -6.316 -10.102
121 HH22 ARG 15 2HH2 ARG 15 -7.719 -5.538 -10.972
122 H LYS 16 H LYS 16 -5.789 -4.116 -2.195
123 HA LYS 16 HA LYS 16 -5.459 -1.626 -0.716
124 HB2 LYS 16 2HB LYS 16 -6.337 -4.224 0.548
125 HB3 LYS 16 3HB LYS 16 -5.679 -2.874 1.461
126 HG2 LYS 16 2HG LYS 16 -7.644 -1.641 0.057
127 HG3 LYS 16 3HG LYS 16 -8.341 -3.246 0.290
128 HD2 LYS 16 2HD LYS 16 -9.044 -2.241 2.218
129 HD3 LYS 16 3HD LYS 16 -7.484 -2.861 2.765
130 HE2 LYS 16 2HE LYS 16 -7.567 -0.155 1.537
131 HE3 LYS 16 3HE LYS 16 -8.215 -0.345 3.166
132 HZ1 LYS 16 2HZ LYS 16 -6.150 -0.254 3.917
133 HZ2 LYS 16 3HZ LYS 16 -5.522 -0.199 2.348
134 HZ3 LYS 16 1HZ LYS 16 -5.789 -1.690 3.100
135 H CYS 17 H CYS 17 -3.622 -1.749 0.827
136 HA CYS 17 HA CYS 17 -1.577 -3.637 -0.146
137 HB2 CYS 17 2HB CYS 17 -1.317 -0.764 0.748
138 HB3 CYS 17 3HB CYS 17 0.067 -1.835 0.557
139 H LYS 18 H LYS 18 -1.228 -5.160 1.324
140 HA LYS 18 HA LYS 18 -1.965 -5.175 3.973
141 HB2 LYS 18 2HB LYS 18 -1.352 -7.268 3.285
142 HB3 LYS 18 3HB LYS 18 0.023 -6.679 2.358
143 HG2 LYS 18 2HG LYS 18 1.434 -6.719 4.159
144 HG3 LYS 18 3HG LYS 18 0.127 -6.509 5.326
145 HD2 LYS 18 2HD LYS 18 1.158 -8.778 5.353
146 HD3 LYS 18 3HD LYS 18 -0.580 -8.783 5.038
147 HE2 LYS 18 2HE LYS 18 0.738 -10.323 3.581
148 HE3 LYS 18 3HE LYS 18 -0.227 -9.138 2.703
149 HZ1 LYS 18 2HZ LYS 18 1.590 -8.150 1.877
150 HZ2 LYS 18 3HZ LYS 18 2.363 -9.611 2.237
151 HZ3 LYS 18 1HZ LYS 18 2.477 -8.305 3.308
152 HA PRO 19 HA PRO 19 0.764 -2.371 6.006
153 HB2 PRO 19 2HB PRO 19 0.466 -3.292 8.542
154 HB3 PRO 19 3HB PRO 19 -0.778 -2.352 7.710
155 HG2 PRO 19 2HG PRO 19 -0.583 -5.314 8.094
156 HG3 PRO 19 3HG PRO 19 -1.999 -4.257 8.242
157 HD2 PRO 19 2HD PRO 19 -1.532 -5.765 6.043
158 HD3 PRO 19 3HD PRO 19 -2.345 -4.189 5.965
159 HA PRO 20 HA PRO 20 1.768 -1.819 8.267
160 HB2 PRO 20 2HB PRO 20 4.165 -0.546 8.319
161 HB3 PRO 20 3HB PRO 20 3.690 -1.749 9.523
162 HG2 PRO 20 2HG PRO 20 5.434 -2.069 7.112
163 HG3 PRO 20 3HG PRO 20 5.664 -2.706 8.751
164 HD2 PRO 20 2HD PRO 20 4.706 -4.221 6.721
165 HD3 PRO 20 3HD PRO 20 4.210 -4.462 8.408
166 H LEU 21 H LEU 21 3.069 -2.446 5.209
167 HA LEU 21 HA LEU 21 3.610 -0.074 4.010
168 HB2 LEU 21 2HB LEU 21 1.757 -2.051 2.717
169 HB3 LEU 21 3HB LEU 21 2.964 -1.019 1.952
170 HG LEU 21 HG LEU 21 3.542 -3.407 3.704
171 HD11 LEU 21 2HD1 LEU 21 2.803 -4.341 1.731
172 HD12 LEU 21 3HD1 LEU 21 4.533 -4.177 1.430
173 HD13 LEU 21 1HD1 LEU 21 3.405 -3.005 0.748
174 HD21 LEU 21 1HD2 LEU 21 5.137 -1.189 3.179
175 HD22 LEU 21 2HD2 LEU 21 5.706 -2.429 2.060
176 HD23 LEU 21 3HD2 LEU 21 5.666 -2.755 3.793
177 H LYS 22 H LYS 22 2.506 1.656 3.176
178 HA LYS 22 HA LYS 22 -0.385 1.781 3.729
179 HB2 LYS 22 2HB LYS 22 1.610 4.022 4.110
180 HB3 LYS 22 3HB LYS 22 -0.127 4.137 4.362
181 HG2 LYS 22 2HG LYS 22 1.722 2.335 5.911
182 HG3 LYS 22 3HG LYS 22 1.141 3.910 6.458
183 HD2 LYS 22 2HD LYS 22 -0.655 1.598 5.731
184 HD3 LYS 22 3HD LYS 22 -0.133 1.969 7.376
185 HE2 LYS 22 2HE LYS 22 -1.182 4.174 7.207
186 HE3 LYS 22 3HE LYS 22 -1.695 3.806 5.561
187 HZ1 LYS 22 2HZ LYS 22 -3.360 3.477 7.454
188 HZ2 LYS 22 3HZ LYS 22 -2.487 2.073 7.813
189 HZ3 LYS 22 1HZ LYS 22 -3.223 2.249 6.299
190 H CYS 23 H CYS 23 -1.618 3.129 2.339
191 HA CYS 23 HA CYS 23 -0.439 3.372 -0.324
192 HB2 CYS 23 2HB CYS 23 -3.312 3.555 0.607
193 HB3 CYS 23 3HB CYS 23 -2.791 3.692 -1.069
194 H ASN 24 H ASN 24 -0.208 5.269 -1.404
195 HA ASN 24 HA ASN 24 -0.952 7.724 0.048
196 HB2 ASN 24 2HB ASN 24 1.049 8.782 -0.690
197 HB3 ASN 24 3HB ASN 24 1.529 7.202 -0.076
198 HD21 ASN 24 1HD2 ASN 24 1.649 5.460 -1.754
199 HD22 ASN 24 2HD2 ASN 24 2.327 5.889 -3.283
200 H LYS 25 H LYS 25 -0.375 9.587 -1.870
201 HA LYS 25 HA LYS 25 -2.667 9.617 -3.449
202 HB2 LYS 25 2HB LYS 25 -1.697 11.528 -4.577
203 HB3 LYS 25 3HB LYS 25 -1.338 11.620 -2.858
204 HG2 LYS 25 2HG LYS 25 0.714 12.129 -3.653
205 HG3 LYS 25 3HG LYS 25 0.871 10.370 -3.658
206 HD2 LYS 25 2HD LYS 25 0.721 10.228 -5.939
207 HD3 LYS 25 3HD LYS 25 -0.256 11.692 -6.075
208 HE2 LYS 25 2HE LYS 25 1.790 12.341 -6.960
209 HE3 LYS 25 3HE LYS 25 1.877 12.915 -5.295
210 HZ1 LYS 25 2HZ LYS 25 3.554 11.067 -6.627
211 HZ2 LYS 25 3HZ LYS 25 2.855 10.331 -5.274
212 HZ3 LYS 25 1HZ LYS 25 3.741 11.762 -5.096
213 H ALA 26 H ALA 26 0.388 8.105 -3.987
214 HA ALA 26 HA ALA 26 0.033 7.815 -6.840
215 HB1 ALA 26 2HB ALA 26 2.025 6.154 -6.411
216 HB2 ALA 26 3HB ALA 26 2.271 7.900 -6.367
217 HB3 ALA 26 1HB ALA 26 2.100 6.995 -4.862
218 H GLN 27 H GLN 27 -1.743 6.586 -4.560
219 HA GLN 27 HA GLN 27 -2.759 4.574 -4.079
220 HB2 GLN 27 2HB GLN 27 -3.687 3.548 -6.255
221 HB3 GLN 27 3HB GLN 27 -4.160 5.191 -5.844
222 HG2 GLN 27 2HG GLN 27 -2.415 6.036 -7.371
223 HG3 GLN 27 3HG GLN 27 -2.057 4.373 -7.834
224 HE21 GLN 27 1HE2 GLN 27 -4.884 6.495 -7.492
225 HE22 GLN 27 2HE2 GLN 27 -5.636 6.013 -8.971
226 H ILE 28 H ILE 28 -0.164 4.086 -3.730
227 HA ILE 28 HA ILE 28 0.135 1.381 -4.813
228 HB ILE 28 HB ILE 28 2.593 1.758 -5.066
229 HG12 ILE 28 2HG1 ILE 28 1.914 4.696 -5.051
230 HG13 ILE 28 3HG1 ILE 28 2.534 3.868 -3.627
231 HG21 ILE 28 1HG2 ILE 28 0.484 2.413 -6.806
232 HG22 ILE 28 2HG2 ILE 28 1.719 3.654 -7.023
233 HG23 ILE 28 3HG2 ILE 28 2.133 1.952 -7.228
234 HD11 ILE 28 2HD1 ILE 28 4.463 3.141 -5.166
235 HD12 ILE 28 3HD1 ILE 28 3.901 4.439 -6.220
236 HD13 ILE 28 1HD1 ILE 28 4.422 4.802 -4.575
237 H CYS 29 H CYS 29 1.951 0.198 -3.622
238 HA CYS 29 HA CYS 29 1.525 0.605 -0.774
239 HB2 CYS 29 2HB CYS 29 3.128 -1.614 -2.033
240 HB3 CYS 29 3HB CYS 29 2.318 -1.605 -0.470
241 H VAL 30 H VAL 30 2.894 1.742 0.414
242 HA VAL 30 HA VAL 30 5.761 1.548 -0.090
243 HB VAL 30 HB VAL 30 5.974 4.056 0.191
244 HG11 VAL 30 2HG1 VAL 30 6.048 2.649 -1.993
245 HG12 VAL 30 3HG1 VAL 30 4.507 3.434 -2.338
246 HG13 VAL 30 1HG1 VAL 30 5.956 4.408 -2.094
247 HG21 VAL 30 1HG2 VAL 30 4.191 5.395 0.336
248 HG22 VAL 30 2HG2 VAL 30 3.338 4.545 -0.953
249 HG23 VAL 30 3HG2 VAL 30 3.275 3.933 0.700
250 H ASP 31 H ASP 31 6.802 1.253 1.763
251 HA ASP 31 HA ASP 31 5.619 1.044 4.240
252 HB2 ASP 31 2HB ASP 31 8.232 0.822 3.200
253 HB3 ASP 31 3HB ASP 31 8.341 1.919 4.573
254 HA PRO 32 HA PRO 32 4.917 5.126 5.708
255 HB2 PRO 32 2HB PRO 32 5.081 4.697 8.384
256 HB3 PRO 32 3HB PRO 32 3.710 4.157 7.406
257 HG2 PRO 32 2HG PRO 32 6.077 2.600 8.375
258 HG3 PRO 32 3HG PRO 32 4.367 2.130 8.339
259 HD2 PRO 32 2HD PRO 32 6.149 1.294 6.479
260 HD3 PRO 32 3HD PRO 32 4.437 1.579 6.102
261 H ASN 33 H ASN 33 7.777 3.375 6.730
262 HA ASN 33 HA ASN 33 9.070 5.877 7.547
263 HB2 ASN 33 2HB ASN 33 10.120 3.055 7.831
264 HB3 ASN 33 3HB ASN 33 10.758 4.508 8.597
265 HD21 ASN 33 1HD2 ASN 33 8.589 1.927 8.839
266 HD22 ASN 33 2HD2 ASN 33 7.791 2.415 10.291
267 H LYS 34 H LYS 34 8.511 5.168 4.750
268 HA LYS 34 HA LYS 34 11.055 4.474 3.577
269 HB2 LYS 34 2HB LYS 34 9.048 3.738 2.455
270 HB3 LYS 34 3HB LYS 34 8.442 5.387 2.364
271 HG2 LYS 34 2HG LYS 34 9.256 4.782 0.212
272 HG3 LYS 34 3HG LYS 34 10.385 5.946 0.908
273 HD2 LYS 34 2HD LYS 34 11.765 3.973 1.666
274 HD3 LYS 34 3HD LYS 34 10.716 2.962 0.669
275 HE2 LYS 34 2HE LYS 34 11.978 5.368 -0.554
276 HE3 LYS 34 3HE LYS 34 12.974 3.940 -0.273
277 HZ1 LYS 34 2HZ LYS 34 10.382 3.742 -1.675
278 HZ2 LYS 34 3HZ LYS 34 11.690 2.669 -1.713
279 HZ3 LYS 34 1HZ LYS 34 11.794 4.159 -2.508
280 H GLY 35 H GLY 35 9.023 7.385 3.782
281 HA2 GLY 35 2HA GLY 35 10.728 9.335 4.266
282 HA3 GLY 35 3HA GLY 35 11.176 8.977 2.605
283 H TRP 36 H TRP 36 8.231 8.260 2.157
284 HA TRP 36 HA TRP 36 7.464 10.725 1.028
285 HB2 TRP 36 2HB TRP 36 5.413 9.643 0.426
286 HB3 TRP 36 3HB TRP 36 6.698 8.446 0.285
287 HD1 TRP 36 1HD TRP 36 6.775 6.513 2.195
288 HE1 TRP 36 1HE TRP 36 4.903 5.532 3.663
289 HE3 TRP 36 3HE TRP 36 3.283 10.202 1.626
290 HZ2 TRP 36 2HZ TRP 36 2.290 6.231 4.473
291 HZ3 TRP 36 3HZ TRP 36 1.123 9.970 2.782
292 HH2 TRP 36 2HH TRP 36 0.639 8.024 4.175
Start of MODEL 17
1 H1 ASP 1 H ASP 1 -14.763 -7.415 -1.523
2 HA ASP 1 HA ASP 1 -12.825 -5.386 -2.205
3 HB2 ASP 1 2HB ASP 1 -13.741 -6.138 0.163
4 HB3 ASP 1 3HB ASP 1 -12.407 -7.282 0.063
5 H PHE 2 H PHE 2 -10.640 -5.707 -2.636
6 HA PHE 2 HA PHE 2 -10.022 -8.330 -3.779
7 HB2 PHE 2 2HB PHE 2 -9.025 -5.552 -4.234
8 HB3 PHE 2 3HB PHE 2 -7.947 -6.897 -4.592
9 HD1 PHE 2 2HD PHE 2 -9.448 -8.905 -5.823
10 HD2 PHE 2 1HD PHE 2 -10.000 -4.695 -6.113
11 HE1 PHE 2 2HE PHE 2 -10.545 -9.202 -8.005
12 HE2 PHE 2 1HE PHE 2 -11.099 -4.986 -8.295
13 HZ PHE 2 HZ PHE 2 -11.372 -7.241 -9.244
14 HA PRO 3 HA PRO 3 -7.076 -9.465 -0.734
15 HB2 PRO 3 2HB PRO 3 -5.102 -10.588 -2.221
16 HB3 PRO 3 3HB PRO 3 -6.672 -11.360 -1.968
17 HG2 PRO 3 2HG PRO 3 -5.693 -9.781 -4.316
18 HG3 PRO 3 3HG PRO 3 -6.624 -11.290 -4.292
19 HD2 PRO 3 2HD PRO 3 -7.772 -8.878 -4.731
20 HD3 PRO 3 3HD PRO 3 -8.618 -10.202 -3.904
21 H LEU 4 H LEU 4 -4.889 -9.121 0.071
22 HA LEU 4 HA LEU 4 -4.009 -6.452 -0.327
23 HB2 LEU 4 2HB LEU 4 -2.576 -8.704 1.071
24 HB3 LEU 4 3HB LEU 4 -2.260 -6.981 1.259
25 HG LEU 4 HG LEU 4 -4.945 -8.102 1.958
26 HD11 LEU 4 2HD1 LEU 4 -4.296 -8.962 3.945
27 HD12 LEU 4 3HD1 LEU 4 -2.939 -7.847 4.113
28 HD13 LEU 4 1HD1 LEU 4 -2.799 -9.255 3.059
29 HD21 LEU 4 1HD2 LEU 4 -5.256 -5.951 2.423
30 HD22 LEU 4 2HD2 LEU 4 -3.547 -5.585 2.191
31 HD23 LEU 4 3HD2 LEU 4 -4.122 -6.150 3.760
32 H SER 5 H SER 5 -1.923 -5.745 -1.045
33 HA SER 5 HA SER 5 -0.815 -7.479 -3.151
34 HB2 SER 5 2HB SER 5 -0.566 -4.472 -2.975
35 HB3 SER 5 3HB SER 5 -0.188 -5.503 -4.355
36 HG SER 5 HG SER 5 -2.163 -4.884 -4.872
37 H LYS 6 H LYS 6 1.556 -6.451 -3.688
38 HA LYS 6 HA LYS 6 3.048 -6.806 -1.183
39 HB2 LYS 6 2HB LYS 6 3.433 -7.702 -3.929
40 HB3 LYS 6 3HB LYS 6 4.873 -6.938 -3.271
41 HG2 LYS 6 2HG LYS 6 5.231 -8.589 -1.762
42 HG3 LYS 6 3HG LYS 6 3.511 -8.929 -1.559
43 HD2 LYS 6 2HD LYS 6 4.487 -10.810 -2.651
44 HD3 LYS 6 3HD LYS 6 3.535 -9.937 -3.856
45 HE2 LYS 6 2HE LYS 6 6.006 -8.761 -4.066
46 HE3 LYS 6 3HE LYS 6 6.409 -10.445 -3.734
47 HZ1 LYS 6 2HZ LYS 6 4.336 -10.319 -5.643
48 HZ2 LYS 6 3HZ LYS 6 5.888 -10.973 -5.806
49 HZ3 LYS 6 1HZ LYS 6 5.618 -9.339 -6.152
50 H GLU 7 H GLU 7 5.380 -5.724 -1.487
51 HA GLU 7 HA GLU 7 5.005 -2.972 -1.199
52 HB2 GLU 7 2HB GLU 7 7.452 -2.802 -1.233
53 HB3 GLU 7 3HB GLU 7 6.915 -4.145 -0.233
54 HG2 GLU 7 2HG GLU 7 7.284 -5.214 -2.788
55 HG3 GLU 7 3HG GLU 7 8.658 -4.146 -2.511
56 H TYR 8 H TYR 8 5.077 -1.270 -2.556
57 HA TYR 8 HA TYR 8 5.071 -0.076 -4.491
58 HB2 TYR 8 2HB TYR 8 6.984 -2.159 -5.553
59 HB3 TYR 8 3HB TYR 8 6.800 -0.497 -6.105
60 HD1 TYR 8 2HD TYR 8 6.982 1.210 -3.918
61 HD2 TYR 8 1HD TYR 8 8.949 -2.530 -4.419
62 HE1 TYR 8 2HE TYR 8 8.735 1.928 -2.351
63 HE2 TYR 8 1HE TYR 8 10.707 -1.822 -2.852
64 HH TYR 8 HH TYR 8 11.588 0.764 -2.122
65 H GLU 9 H GLU 9 2.973 -1.827 -4.176
66 HA GLU 9 HA GLU 9 2.511 -2.761 -6.934
67 HB2 GLU 9 2HB GLU 9 2.634 -4.459 -4.917
68 HB3 GLU 9 3HB GLU 9 0.988 -3.914 -4.636
69 HG2 GLU 9 2HG GLU 9 1.126 -5.967 -5.992
70 HG3 GLU 9 3HG GLU 9 0.310 -4.639 -6.816
71 H SER 10 H SER 10 0.285 -2.653 -7.675
72 HA SER 10 HA SER 10 -0.876 -0.163 -7.368
73 HB2 SER 10 2HB SER 10 -1.354 -2.402 -8.939
74 HB3 SER 10 3HB SER 10 -2.848 -2.211 -8.021
75 HG SER 10 HG SER 10 -1.920 -0.749 -10.085
76 H CYS 11 H CYS 11 -2.605 0.650 -6.209
77 HA CYS 11 HA CYS 11 -3.607 -1.034 -4.011
78 HB2 CYS 11 2HB CYS 11 -1.898 0.649 -3.261
79 HB3 CYS 11 3HB CYS 11 -2.996 1.919 -3.795
80 H VAL 12 H VAL 12 -4.411 0.563 -6.744
81 HA VAL 12 HA VAL 12 -6.569 2.163 -6.323
82 HB VAL 12 HB VAL 12 -6.419 -0.011 -8.416
83 HG11 VAL 12 2HG1 VAL 12 -8.413 1.990 -7.821
84 HG12 VAL 12 3HG1 VAL 12 -7.741 2.217 -9.436
85 HG13 VAL 12 1HG1 VAL 12 -8.457 0.669 -8.990
86 HG21 VAL 12 1HG2 VAL 12 -5.683 2.085 -9.791
87 HG22 VAL 12 2HG2 VAL 12 -5.218 2.715 -8.212
88 HG23 VAL 12 3HG2 VAL 12 -4.506 1.215 -8.807
89 H ARG 13 H ARG 13 -8.139 1.876 -4.873
90 HA ARG 13 HA ARG 13 -9.045 -0.402 -3.698
91 HB2 ARG 13 2HB ARG 13 -10.348 2.212 -4.307
92 HB3 ARG 13 3HB ARG 13 -11.345 0.911 -3.672
93 HG2 ARG 13 2HG ARG 13 -9.531 0.734 -1.839
94 HG3 ARG 13 3HG ARG 13 -9.075 2.353 -2.373
95 HD2 ARG 13 2HD ARG 13 -11.163 3.252 -1.789
96 HD3 ARG 13 3HD ARG 13 -11.910 1.658 -1.676
97 HE ARG 13 HE ARG 13 -9.884 1.759 0.222
98 HH11 ARG 13 1HH1 ARG 13 -12.906 3.352 -0.447
99 HH12 ARG 13 2HH1 ARG 13 -13.249 3.686 1.218
100 HH21 ARG 13 1HH2 ARG 13 -10.325 2.192 2.419
101 HH22 ARG 13 2HH2 ARG 13 -11.780 3.026 2.847
102 HA PRO 14 HA PRO 14 -11.269 -0.994 -2.902
103 HB2 PRO 14 2HB PRO 14 -11.894 -3.622 -2.635
104 HB3 PRO 14 3HB PRO 14 -13.072 -2.400 -3.126
105 HG2 PRO 14 2HG PRO 14 -11.526 -4.327 -4.816
106 HG3 PRO 14 3HG PRO 14 -13.234 -3.865 -4.925
107 HD2 PRO 14 2HD PRO 14 -11.340 -2.835 -6.563
108 HD3 PRO 14 3HD PRO 14 -12.764 -1.908 -6.048
109 H ARG 15 H ARG 15 -9.021 -2.510 -4.906
110 HA ARG 15 HA ARG 15 -7.639 -4.326 -3.444
111 HB2 ARG 15 2HB ARG 15 -6.349 -2.068 -4.986
112 HB3 ARG 15 3HB ARG 15 -5.618 -3.622 -4.600
113 HG2 ARG 15 2HG ARG 15 -7.326 -4.738 -5.979
114 HG3 ARG 15 3HG ARG 15 -7.977 -3.155 -6.410
115 HD2 ARG 15 2HD ARG 15 -6.213 -2.645 -7.765
116 HD3 ARG 15 3HD ARG 15 -5.076 -3.615 -6.829
117 HE ARG 15 HE ARG 15 -5.603 -5.443 -8.124
118 HH11 ARG 15 1HH1 ARG 15 -7.859 -2.866 -8.745
119 HH12 ARG 15 2HH1 ARG 15 -8.564 -3.640 -10.125
120 HH21 ARG 15 1HH2 ARG 15 -6.523 -6.474 -9.939
121 HH22 ARG 15 2HH2 ARG 15 -7.804 -5.692 -10.803
122 H LYS 16 H LYS 16 -5.827 -4.241 -2.012
123 HA LYS 16 HA LYS 16 -5.404 -1.735 -0.572
124 HB2 LYS 16 2HB LYS 16 -6.522 -4.256 0.603
125 HB3 LYS 16 3HB LYS 16 -5.530 -3.193 1.592
126 HG2 LYS 16 2HG LYS 16 -7.075 -1.346 1.146
127 HG3 LYS 16 3HG LYS 16 -8.078 -2.431 0.180
128 HD2 LYS 16 2HD LYS 16 -9.174 -2.584 2.177
129 HD3 LYS 16 3HD LYS 16 -7.997 -3.882 2.395
130 HE2 LYS 16 2HE LYS 16 -7.279 -1.112 3.237
131 HE3 LYS 16 3HE LYS 16 -8.365 -2.059 4.254
132 HZ1 LYS 16 2HZ LYS 16 -6.303 -2.583 5.095
133 HZ2 LYS 16 3HZ LYS 16 -5.544 -2.570 3.583
134 HZ3 LYS 16 1HZ LYS 16 -6.552 -3.859 4.013
135 H CYS 17 H CYS 17 -3.508 -1.787 0.826
136 HA CYS 17 HA CYS 17 -1.524 -3.743 -0.127
137 HB2 CYS 17 2HB CYS 17 -1.170 -0.892 0.812
138 HB3 CYS 17 3HB CYS 17 0.167 -1.989 0.481
139 H LYS 18 H LYS 18 -1.102 -5.257 1.330
140 HA LYS 18 HA LYS 18 -1.810 -5.259 3.999
141 HB2 LYS 18 2HB LYS 18 -1.213 -7.313 2.922
142 HB3 LYS 18 3HB LYS 18 0.408 -6.726 2.571
143 HG2 LYS 18 2HG LYS 18 0.733 -6.593 5.091
144 HG3 LYS 18 3HG LYS 18 -0.745 -7.549 5.215
145 HD2 LYS 18 2HD LYS 18 1.659 -8.376 3.595
146 HD3 LYS 18 3HD LYS 18 1.377 -8.881 5.263
147 HE2 LYS 18 2HE LYS 18 -0.542 -10.104 4.678
148 HE3 LYS 18 3HE LYS 18 -0.668 -9.316 3.106
149 HZ1 LYS 18 2HZ LYS 18 1.807 -10.736 3.521
150 HZ2 LYS 18 3HZ LYS 18 0.760 -10.750 2.192
151 HZ3 LYS 18 1HZ LYS 18 0.440 -11.731 3.533
152 HA PRO 19 HA PRO 19 1.017 -2.509 5.965
153 HB2 PRO 19 2HB PRO 19 0.777 -3.434 8.506
154 HB3 PRO 19 3HB PRO 19 -0.475 -2.472 7.712
155 HG2 PRO 19 2HG PRO 19 -0.315 -5.439 8.083
156 HG3 PRO 19 3HG PRO 19 -1.710 -4.360 8.273
157 HD2 PRO 19 2HD PRO 19 -1.327 -5.868 6.058
158 HD3 PRO 19 3HD PRO 19 -2.118 -4.280 6.007
159 HA PRO 20 HA PRO 20 2.092 -1.980 8.201
160 HB2 PRO 20 2HB PRO 20 4.508 -0.744 8.192
161 HB3 PRO 20 3HB PRO 20 4.049 -1.944 9.404
162 HG2 PRO 20 2HG PRO 20 5.721 -2.281 6.944
163 HG3 PRO 20 3HG PRO 20 5.986 -2.927 8.574
164 HD2 PRO 20 2HD PRO 20 4.951 -4.420 6.566
165 HD3 PRO 20 3HD PRO 20 4.497 -4.660 8.265
166 H LEU 21 H LEU 21 3.306 -2.613 5.106
167 HA LEU 21 HA LEU 21 3.830 -0.221 3.917
168 HB2 LEU 21 2HB LEU 21 1.995 -2.232 2.647
169 HB3 LEU 21 3HB LEU 21 3.150 -1.159 1.858
170 HG LEU 21 HG LEU 21 3.839 -3.543 3.577
171 HD11 LEU 21 2HD1 LEU 21 3.048 -4.426 1.575
172 HD12 LEU 21 3HD1 LEU 21 4.789 -4.311 1.317
173 HD13 LEU 21 1HD1 LEU 21 3.711 -3.103 0.617
174 HD21 LEU 21 1HD2 LEU 21 5.929 -2.799 3.663
175 HD22 LEU 21 2HD2 LEU 21 5.356 -1.262 3.015
176 HD23 LEU 21 3HD2 LEU 21 5.955 -2.511 1.924
177 H LYS 22 H LYS 22 2.693 1.495 3.093
178 HA LYS 22 HA LYS 22 -0.188 1.588 3.694
179 HB2 LYS 22 2HB LYS 22 1.873 3.755 4.124
180 HB3 LYS 22 3HB LYS 22 0.137 4.032 4.189
181 HG2 LYS 22 2HG LYS 22 1.408 1.951 5.919
182 HG3 LYS 22 3HG LYS 22 1.431 3.653 6.384
183 HD2 LYS 22 2HD LYS 22 -1.110 2.238 5.623
184 HD3 LYS 22 3HD LYS 22 -0.487 2.222 7.274
185 HE2 LYS 22 2HE LYS 22 -0.370 4.817 6.923
186 HE3 LYS 22 3HE LYS 22 -1.563 4.495 5.667
187 HZ1 LYS 22 2HZ LYS 22 -2.935 4.791 7.432
188 HZ2 LYS 22 3HZ LYS 22 -1.805 4.249 8.568
189 HZ3 LYS 22 1HZ LYS 22 -2.654 3.133 7.622
190 H CYS 23 H CYS 23 -1.424 3.075 2.372
191 HA CYS 23 HA CYS 23 -0.312 3.264 -0.334
192 HB2 CYS 23 2HB CYS 23 -3.160 3.376 0.673
193 HB3 CYS 23 3HB CYS 23 -2.700 3.602 -1.011
194 H ASN 24 H ASN 24 -0.342 5.169 -1.514
195 HA ASN 24 HA ASN 24 -1.037 7.612 -0.027
196 HB2 ASN 24 2HB ASN 24 0.948 8.710 -0.745
197 HB3 ASN 24 3HB ASN 24 1.457 7.141 -0.127
198 HD21 ASN 24 1HD2 ASN 24 1.600 5.398 -1.817
199 HD22 ASN 24 2HD2 ASN 24 2.293 5.844 -3.336
200 H LYS 25 H LYS 25 -0.488 9.480 -1.943
201 HA LYS 25 HA LYS 25 -2.762 9.451 -3.547
202 HB2 LYS 25 2HB LYS 25 -0.194 10.976 -4.022
203 HB3 LYS 25 3HB LYS 25 -1.761 11.354 -4.727
204 HG2 LYS 25 2HG LYS 25 -2.649 12.034 -2.663
205 HG3 LYS 25 3HG LYS 25 -1.321 11.299 -1.760
206 HD2 LYS 25 2HD LYS 25 0.169 12.983 -2.331
207 HD3 LYS 25 3HD LYS 25 -0.773 13.474 -3.741
208 HE2 LYS 25 2HE LYS 25 -2.534 14.310 -2.215
209 HE3 LYS 25 3HE LYS 25 -1.502 13.904 -0.845
210 HZ1 LYS 25 2HZ LYS 25 -1.454 16.287 -1.659
211 HZ2 LYS 25 3HZ LYS 25 -0.593 15.717 -2.999
212 HZ3 LYS 25 1HZ LYS 25 0.043 15.532 -1.442
213 H ALA 26 H ALA 26 0.339 8.019 -4.054
214 HA ALA 26 HA ALA 26 0.026 7.711 -6.906
215 HB1 ALA 26 2HB ALA 26 2.254 7.807 -6.435
216 HB2 ALA 26 3HB ALA 26 2.081 6.965 -4.896
217 HB3 ALA 26 1HB ALA 26 2.032 6.057 -6.407
218 H GLN 27 H GLN 27 -1.772 6.458 -4.661
219 HA GLN 27 HA GLN 27 -2.766 4.431 -4.194
220 HB2 GLN 27 2HB GLN 27 -3.638 3.388 -6.384
221 HB3 GLN 27 3HB GLN 27 -4.144 5.025 -5.984
222 HG2 GLN 27 2HG GLN 27 -2.385 5.895 -7.482
223 HG3 GLN 27 3HG GLN 27 -1.990 4.236 -7.932
224 HE21 GLN 27 1HE2 GLN 27 -4.857 6.314 -7.656
225 HE22 GLN 27 2HE2 GLN 27 -5.573 5.814 -9.146
226 H ILE 28 H ILE 28 -0.152 4.000 -3.819
227 HA ILE 28 HA ILE 28 0.201 1.291 -4.883
228 HB ILE 28 HB ILE 28 2.657 1.708 -5.097
229 HG12 ILE 28 2HG1 ILE 28 1.875 4.627 -5.020
230 HG13 ILE 28 3HG1 ILE 28 2.632 3.783 -3.673
231 HG21 ILE 28 1HG2 ILE 28 1.790 3.579 -7.077
232 HG22 ILE 28 2HG2 ILE 28 2.223 1.881 -7.266
233 HG23 ILE 28 3HG2 ILE 28 0.564 2.329 -6.872
234 HD11 ILE 28 2HD1 ILE 28 4.370 4.902 -4.762
235 HD12 ILE 28 3HD1 ILE 28 4.510 3.224 -5.287
236 HD13 ILE 28 1HD1 ILE 28 3.791 4.425 -6.360
237 H CYS 29 H CYS 29 1.946 0.100 -3.651
238 HA CYS 29 HA CYS 29 1.513 0.554 -0.811
239 HB2 CYS 29 2HB CYS 29 3.085 -1.713 -2.023
240 HB3 CYS 29 3HB CYS 29 2.252 -1.667 -0.472
241 H VAL 30 H VAL 30 2.898 1.677 0.371
242 HA VAL 30 HA VAL 30 5.765 1.449 -0.154
243 HB VAL 30 HB VAL 30 5.333 3.434 -1.355
244 HG11 VAL 30 2HG1 VAL 30 3.385 3.967 0.823
245 HG12 VAL 30 3HG1 VAL 30 4.133 5.351 0.024
246 HG13 VAL 30 1HG1 VAL 30 3.221 4.175 -0.921
247 HG21 VAL 30 1HG2 VAL 30 7.162 3.472 0.425
248 HG22 VAL 30 2HG2 VAL 30 6.642 5.025 -0.230
249 HG23 VAL 30 3HG2 VAL 30 6.071 4.501 1.354
250 H ASP 31 H ASP 31 6.962 1.369 1.658
251 HA ASP 31 HA ASP 31 5.881 0.883 4.140
252 HB2 ASP 31 2HB ASP 31 8.488 1.169 3.048
253 HB3 ASP 31 3HB ASP 31 8.428 2.127 4.525
254 HA PRO 32 HA PRO 32 4.591 4.745 5.792
255 HB2 PRO 32 2HB PRO 32 4.856 4.229 8.444
256 HB3 PRO 32 3HB PRO 32 3.569 3.532 7.454
257 HG2 PRO 32 2HG PRO 32 6.156 2.308 8.333
258 HG3 PRO 32 3HG PRO 32 4.536 1.589 8.289
259 HD2 PRO 32 2HD PRO 32 6.394 1.112 6.378
260 HD3 PRO 32 3HD PRO 32 4.654 1.152 6.029
261 H ASN 33 H ASN 33 7.653 3.381 6.902
262 HA ASN 33 HA ASN 33 8.590 6.074 7.606
263 HB2 ASN 33 2HB ASN 33 9.776 3.367 8.262
264 HB3 ASN 33 3HB ASN 33 10.433 4.918 8.778
265 HD21 ASN 33 1HD2 ASN 33 8.855 2.385 9.896
266 HD22 ASN 33 2HD2 ASN 33 7.849 3.119 11.094
267 H LYS 34 H LYS 34 8.344 5.619 4.914
268 HA LYS 34 HA LYS 34 11.009 4.927 3.928
269 HB2 LYS 34 2HB LYS 34 9.207 3.916 2.705
270 HB3 LYS 34 3HB LYS 34 8.394 5.465 2.517
271 HG2 LYS 34 2HG LYS 34 9.634 6.043 0.744
272 HG3 LYS 34 3HG LYS 34 11.117 5.379 1.435
273 HD2 LYS 34 2HD LYS 34 9.922 3.084 0.951
274 HD3 LYS 34 3HD LYS 34 9.028 4.050 -0.226
275 HE2 LYS 34 2HE LYS 34 10.877 3.148 -1.386
276 HE3 LYS 34 3HE LYS 34 11.268 4.840 -1.086
277 HZ1 LYS 34 2HZ LYS 34 13.095 3.210 -0.637
278 HZ2 LYS 34 3HZ LYS 34 12.190 2.641 0.673
279 HZ3 LYS 34 1HZ LYS 34 12.728 4.244 0.649
280 H GLY 35 H GLY 35 8.860 7.651 4.340
281 HA2 GLY 35 2HA GLY 35 9.901 9.834 4.642
282 HA3 GLY 35 3HA GLY 35 11.025 9.405 3.360
283 H TRP 36 H TRP 36 7.652 8.629 3.064
284 HA TRP 36 HA TRP 36 7.469 10.478 0.810
285 HB2 TRP 36 2HB TRP 36 5.514 9.205 0.139
286 HB3 TRP 36 3HB TRP 36 6.841 8.100 0.486
287 HD1 TRP 36 1HD TRP 36 6.592 6.510 2.619
288 HE1 TRP 36 1HE TRP 36 4.547 5.800 4.010
289 HE3 TRP 36 3HE TRP 36 3.264 10.052 1.032
290 HZ2 TRP 36 2HZ TRP 36 1.874 6.632 4.385
291 HZ3 TRP 36 3HZ TRP 36 0.984 10.025 1.955
292 HH2 TRP 36 2HH TRP 36 0.305 8.349 3.596
Start of MODEL 18
1 H1 ASP 1 H ASP 1 -14.593 -8.491 -2.434
2 HA ASP 1 HA ASP 1 -12.758 -6.356 -3.094
3 HB2 ASP 1 2HB ASP 1 -12.087 -6.409 -0.860
4 HB3 ASP 1 3HB ASP 1 -13.778 -6.897 -0.771
5 H PHE 2 H PHE 2 -10.474 -6.570 -3.160
6 HA PHE 2 HA PHE 2 -9.609 -9.203 -4.131
7 HB2 PHE 2 2HB PHE 2 -8.758 -6.397 -4.717
8 HB3 PHE 2 3HB PHE 2 -7.588 -7.698 -4.917
9 HD1 PHE 2 1HD PHE 2 -8.966 -9.871 -6.067
10 HD2 PHE 2 2HD PHE 2 -9.581 -5.713 -6.739
11 HE1 PHE 2 1HE PHE 2 -9.901 -10.371 -8.288
12 HE2 PHE 2 2HE PHE 2 -10.517 -6.206 -8.960
13 HZ PHE 2 HZ PHE 2 -10.678 -8.538 -9.737
14 HA PRO 3 HA PRO 3 -6.845 -9.881 -0.795
15 HB2 PRO 3 2HB PRO 3 -4.690 -10.969 -2.036
16 HB3 PRO 3 3HB PRO 3 -6.220 -11.831 -1.836
17 HG2 PRO 3 2HG PRO 3 -5.168 -10.371 -4.228
18 HG3 PRO 3 3HG PRO 3 -5.995 -11.938 -4.148
19 HD2 PRO 3 2HD PRO 3 -7.265 -9.657 -4.866
20 HD3 PRO 3 3HD PRO 3 -8.082 -10.972 -3.997
21 H LEU 4 H LEU 4 -4.761 -9.312 0.140
22 HA LEU 4 HA LEU 4 -4.063 -6.631 -0.276
23 HB2 LEU 4 2HB LEU 4 -2.417 -8.772 1.061
24 HB3 LEU 4 3HB LEU 4 -2.236 -7.032 1.269
25 HG LEU 4 HG LEU 4 -4.801 -8.399 2.002
26 HD11 LEU 4 2HD1 LEU 4 -4.045 -9.108 4.032
27 HD12 LEU 4 3HD1 LEU 4 -2.727 -7.939 4.078
28 HD13 LEU 4 1HD1 LEU 4 -2.593 -9.379 3.069
29 HD21 LEU 4 1HD2 LEU 4 -5.316 -6.460 3.042
30 HD22 LEU 4 2HD2 LEU 4 -4.171 -5.793 1.879
31 HD23 LEU 4 3HD2 LEU 4 -3.649 -6.147 3.527
32 H SER 5 H SER 5 -1.810 -5.862 -0.756
33 HA SER 5 HA SER 5 -0.625 -7.415 -2.962
34 HB2 SER 5 2HB SER 5 -0.323 -4.472 -3.043
35 HB3 SER 5 3HB SER 5 -0.613 -5.614 -4.355
36 HG SER 5 HG SER 5 -2.720 -5.434 -4.072
37 H LYS 6 H LYS 6 1.659 -6.744 -3.440
38 HA LYS 6 HA LYS 6 3.120 -6.580 -0.925
39 HB2 LYS 6 2HB LYS 6 4.935 -7.530 -2.034
40 HB3 LYS 6 3HB LYS 6 3.555 -8.287 -2.820
41 HG2 LYS 6 2HG LYS 6 3.934 -6.094 -4.385
42 HG3 LYS 6 3HG LYS 6 5.587 -6.483 -3.905
43 HD2 LYS 6 2HD LYS 6 3.866 -8.734 -4.775
44 HD3 LYS 6 3HD LYS 6 4.392 -7.598 -6.019
45 HE2 LYS 6 2HE LYS 6 6.187 -8.969 -6.103
46 HE3 LYS 6 3HE LYS 6 6.723 -7.981 -4.744
47 HZ1 LYS 6 2HZ LYS 6 5.358 -10.613 -4.581
48 HZ2 LYS 6 3HZ LYS 6 5.744 -9.648 -3.246
49 HZ3 LYS 6 1HZ LYS 6 6.977 -10.292 -4.210
50 H GLU 7 H GLU 7 5.288 -5.341 -1.093
51 HA GLU 7 HA GLU 7 4.792 -2.630 -1.182
52 HB2 GLU 7 2HB GLU 7 7.220 -2.315 -1.165
53 HB3 GLU 7 3HB GLU 7 6.741 -3.600 -0.065
54 HG2 GLU 7 2HG GLU 7 7.311 -4.683 -2.658
55 HG3 GLU 7 3HG GLU 7 8.664 -3.707 -2.088
56 H TYR 8 H TYR 8 4.976 -1.022 -2.677
57 HA TYR 8 HA TYR 8 5.005 -0.013 -4.716
58 HB2 TYR 8 2HB TYR 8 6.821 -2.269 -5.581
59 HB3 TYR 8 3HB TYR 8 6.688 -0.671 -6.306
60 HD1 TYR 8 2HD TYR 8 6.703 1.034 -3.875
61 HD2 TYR 8 1HD TYR 8 9.049 -2.370 -4.880
62 HE1 TYR 8 2HE TYR 8 8.503 1.851 -2.412
63 HE2 TYR 8 1HE TYR 8 10.855 -1.563 -3.418
64 HH TYR 8 HH TYR 8 11.645 0.496 -2.433
65 H GLU 9 H GLU 9 2.781 -1.426 -4.306
66 HA GLU 9 HA GLU 9 2.226 -2.565 -6.956
67 HB2 GLU 9 2HB GLU 9 2.497 -4.303 -5.067
68 HB3 GLU 9 3HB GLU 9 0.961 -3.690 -4.470
69 HG2 GLU 9 2HG GLU 9 0.722 -5.706 -5.856
70 HG3 GLU 9 3HG GLU 9 -0.144 -4.316 -6.508
71 H SER 10 H SER 10 0.024 -2.391 -7.643
72 HA SER 10 HA SER 10 -1.150 0.069 -7.247
73 HB2 SER 10 2HB SER 10 -2.505 -2.511 -8.072
74 HB3 SER 10 3HB SER 10 -3.182 -0.896 -8.288
75 HG SER 10 HG SER 10 -0.628 -1.454 -9.304
76 H CYS 11 H CYS 11 -2.699 0.909 -5.925
77 HA CYS 11 HA CYS 11 -3.606 -0.806 -3.706
78 HB2 CYS 11 2HB CYS 11 -1.991 0.872 -2.947
79 HB3 CYS 11 3HB CYS 11 -2.974 2.152 -3.652
80 H VAL 12 H VAL 12 -4.488 1.324 -6.240
81 HA VAL 12 HA VAL 12 -6.818 2.507 -5.560
82 HB VAL 12 HB VAL 12 -6.089 2.757 -7.794
83 HG11 VAL 12 2HG1 VAL 12 -6.569 0.435 -9.196
84 HG12 VAL 12 3HG1 VAL 12 -4.988 1.034 -8.691
85 HG13 VAL 12 1HG1 VAL 12 -5.845 -0.141 -7.693
86 HG21 VAL 12 1HG2 VAL 12 -8.099 2.755 -8.849
87 HG22 VAL 12 2HG2 VAL 12 -8.457 1.086 -8.406
88 HG23 VAL 12 3HG2 VAL 12 -8.671 2.377 -7.224
89 H ARG 13 H ARG 13 -8.499 1.805 -4.432
90 HA ARG 13 HA ARG 13 -9.156 -0.741 -3.731
91 HB2 ARG 13 2HB ARG 13 -10.821 1.724 -4.084
92 HB3 ARG 13 3HB ARG 13 -11.597 0.204 -3.658
93 HG2 ARG 13 2HG ARG 13 -9.985 0.067 -1.721
94 HG3 ARG 13 3HG ARG 13 -9.545 1.735 -2.091
95 HD2 ARG 13 2HD ARG 13 -11.210 1.769 -0.376
96 HD3 ARG 13 3HD ARG 13 -11.950 2.346 -1.870
97 HE ARG 13 HE ARG 13 -13.355 0.542 -1.827
98 HH11 ARG 13 1HH1 ARG 13 -10.697 -0.034 0.346
99 HH12 ARG 13 2HH1 ARG 13 -11.383 -1.481 1.009
100 HH21 ARG 13 1HH2 ARG 13 -14.268 -1.360 -0.962
101 HH22 ARG 13 2HH2 ARG 13 -13.414 -2.235 0.263
102 HA PRO 14 HA PRO 14 -11.324 -1.744 -3.266
103 HB2 PRO 14 2HB PRO 14 -11.583 -4.437 -3.492
104 HB3 PRO 14 3HB PRO 14 -12.884 -3.310 -3.893
105 HG2 PRO 14 2HG PRO 14 -10.952 -4.697 -5.711
106 HG3 PRO 14 3HG PRO 14 -12.696 -4.448 -5.911
107 HD2 PRO 14 2HD PRO 14 -10.852 -2.913 -7.165
108 HD3 PRO 14 3HD PRO 14 -12.429 -2.281 -6.651
109 H ARG 15 H ARG 15 -8.737 -2.590 -5.258
110 HA ARG 15 HA ARG 15 -7.238 -4.435 -3.920
111 HB2 ARG 15 2HB ARG 15 -6.118 -1.875 -5.071
112 HB3 ARG 15 3HB ARG 15 -5.267 -3.399 -4.860
113 HG2 ARG 15 2HG ARG 15 -6.837 -4.436 -6.481
114 HG3 ARG 15 3HG ARG 15 -7.535 -2.839 -6.758
115 HD2 ARG 15 2HD ARG 15 -5.845 -2.218 -8.082
116 HD3 ARG 15 3HD ARG 15 -4.634 -2.856 -6.971
117 HE ARG 15 HE ARG 15 -5.606 -5.091 -8.098
118 HH11 ARG 15 1HH1 ARG 15 -4.477 -2.089 -9.453
119 HH12 ARG 15 2HH1 ARG 15 -3.915 -2.813 -10.923
120 HH21 ARG 15 1HH2 ARG 15 -4.869 -6.056 -10.029
121 HH22 ARG 15 2HH2 ARG 15 -4.140 -5.070 -11.249
122 H LYS 16 H LYS 16 -5.393 -4.190 -2.453
123 HA LYS 16 HA LYS 16 -5.358 -1.870 -0.721
124 HB2 LYS 16 2HB LYS 16 -6.573 -4.458 0.071
125 HB3 LYS 16 3HB LYS 16 -5.515 -3.694 1.251
126 HG2 LYS 16 2HG LYS 16 -6.875 -1.649 1.114
127 HG3 LYS 16 3HG LYS 16 -7.956 -2.465 -0.017
128 HD2 LYS 16 2HD LYS 16 -9.096 -2.888 1.904
129 HD3 LYS 16 3HD LYS 16 -7.992 -4.264 1.953
130 HE2 LYS 16 2HE LYS 16 -6.582 -3.203 3.519
131 HE3 LYS 16 3HE LYS 16 -7.341 -1.633 3.254
132 HZ1 LYS 16 2HZ LYS 16 -9.419 -3.123 4.067
133 HZ2 LYS 16 3HZ LYS 16 -8.481 -2.156 5.091
134 HZ3 LYS 16 1HZ LYS 16 -8.162 -3.812 4.963
135 H CYS 17 H CYS 17 -3.513 -1.776 0.628
136 HA CYS 17 HA CYS 17 -1.389 -3.651 -0.171
137 HB2 CYS 17 2HB CYS 17 -1.251 -0.770 0.730
138 HB3 CYS 17 3HB CYS 17 0.167 -1.794 0.532
139 H LYS 18 H LYS 18 -1.043 -5.146 1.329
140 HA LYS 18 HA LYS 18 -1.864 -5.124 3.964
141 HB2 LYS 18 2HB LYS 18 -1.175 -7.180 2.954
142 HB3 LYS 18 3HB LYS 18 0.445 -6.561 2.656
143 HG2 LYS 18 2HG LYS 18 0.650 -6.372 5.192
144 HG3 LYS 18 3HG LYS 18 -0.794 -7.384 5.259
145 HD2 LYS 18 2HD LYS 18 1.725 -8.127 3.778
146 HD3 LYS 18 3HD LYS 18 1.358 -8.643 5.426
147 HE2 LYS 18 2HE LYS 18 -0.573 -9.142 3.190
148 HE3 LYS 18 3HE LYS 18 0.792 -10.224 3.460
149 HZ1 LYS 18 2HZ LYS 18 -0.768 -9.586 5.816
150 HZ2 LYS 18 3HZ LYS 18 -0.135 -11.069 5.304
151 HZ3 LYS 18 1HZ LYS 18 -1.583 -10.493 4.645
152 HA PRO 19 HA PRO 19 0.810 -2.287 6.017
153 HB2 PRO 19 2HB PRO 19 0.491 -3.192 8.557
154 HB3 PRO 19 3HB PRO 19 -0.753 -2.272 7.701
155 HG2 PRO 19 2HG PRO 19 -0.530 -5.230 8.111
156 HG3 PRO 19 3HG PRO 19 -1.960 -4.187 8.233
157 HD2 PRO 19 2HD PRO 19 -1.447 -5.707 6.051
158 HD3 PRO 19 3HD PRO 19 -2.276 -4.140 5.950
159 HA PRO 20 HA PRO 20 1.773 -1.714 8.296
160 HB2 PRO 20 2HB PRO 20 4.154 -0.411 8.380
161 HB3 PRO 20 3HB PRO 20 3.676 -1.616 9.582
162 HG2 PRO 20 2HG PRO 20 5.459 -1.923 7.197
163 HG3 PRO 20 3HG PRO 20 5.672 -2.551 8.841
164 HD2 PRO 20 2HD PRO 20 4.764 -4.084 6.802
165 HD3 PRO 20 3HD PRO 20 4.246 -4.327 8.482
166 H LEU 21 H LEU 21 3.135 -2.332 5.261
167 HA LEU 21 HA LEU 21 3.671 0.031 4.054
168 HB2 LEU 21 2HB LEU 21 1.828 -1.957 2.763
169 HB3 LEU 21 3HB LEU 21 3.028 -0.920 1.995
170 HG LEU 21 HG LEU 21 3.579 -3.335 3.717
171 HD11 LEU 21 2HD1 LEU 21 3.706 -2.806 0.766
172 HD12 LEU 21 3HD1 LEU 21 2.885 -4.112 1.623
173 HD13 LEU 21 1HD1 LEU 21 4.646 -4.091 1.524
174 HD21 LEU 21 1HD2 LEU 21 5.545 -1.575 2.260
175 HD22 LEU 21 2HD2 LEU 21 5.907 -2.963 3.286
176 HD23 LEU 21 3HD2 LEU 21 5.233 -1.495 3.994
177 H LYS 22 H LYS 22 2.594 1.791 3.293
178 HA LYS 22 HA LYS 22 -0.299 1.923 3.842
179 HB2 LYS 22 2HB LYS 22 1.783 4.087 4.177
180 HB3 LYS 22 3HB LYS 22 0.049 4.360 4.287
181 HG2 LYS 22 2HG LYS 22 0.291 2.374 6.066
182 HG3 LYS 22 3HG LYS 22 1.898 3.094 6.205
183 HD2 LYS 22 2HD LYS 22 0.524 5.334 6.318
184 HD3 LYS 22 3HD LYS 22 -0.773 4.258 6.841
185 HE2 LYS 22 2HE LYS 22 0.249 3.765 8.812
186 HE3 LYS 22 3HE LYS 22 1.869 3.912 8.134
187 HZ1 LYS 22 2HZ LYS 22 0.058 6.108 8.965
188 HZ2 LYS 22 3HZ LYS 22 1.476 6.362 8.077
189 HZ3 LYS 22 1HZ LYS 22 1.557 5.700 9.633
190 H CYS 23 H CYS 23 -1.494 3.464 2.505
191 HA CYS 23 HA CYS 23 -0.403 3.534 -0.218
192 HB2 CYS 23 2HB CYS 23 -3.249 3.748 0.782
193 HB3 CYS 23 3HB CYS 23 -2.775 3.872 -0.909
194 H ASN 24 H ASN 24 -0.499 5.409 -1.479
195 HA ASN 24 HA ASN 24 -1.110 7.900 -0.041
196 HB2 ASN 24 2HB ASN 24 0.887 8.943 -0.753
197 HB3 ASN 24 3HB ASN 24 1.386 7.354 -0.180
198 HD21 ASN 24 1HD2 ASN 24 1.558 5.657 -1.867
199 HD22 ASN 24 2HD2 ASN 24 2.186 6.120 -3.408
200 H LYS 25 H LYS 25 -0.549 9.706 -2.015
201 HA LYS 25 HA LYS 25 -2.836 9.683 -3.591
202 HB2 LYS 25 2HB LYS 25 -1.739 11.488 -4.894
203 HB3 LYS 25 3HB LYS 25 -1.640 11.736 -3.155
204 HG2 LYS 25 2HG LYS 25 0.650 11.045 -3.121
205 HG3 LYS 25 3HG LYS 25 0.575 10.557 -4.816
206 HD2 LYS 25 2HD LYS 25 1.669 12.677 -4.720
207 HD3 LYS 25 3HD LYS 25 0.056 12.940 -5.388
208 HE2 LYS 25 2HE LYS 25 0.540 14.667 -3.780
209 HE3 LYS 25 3HE LYS 25 -0.719 13.614 -3.138
210 HZ1 LYS 25 2HZ LYS 25 0.704 12.706 -1.595
211 HZ2 LYS 25 3HZ LYS 25 1.250 14.306 -1.640
212 HZ3 LYS 25 1HZ LYS 25 2.100 13.100 -2.467
213 H ALA 26 H ALA 26 0.291 8.265 -4.155
214 HA ALA 26 HA ALA 26 -0.135 7.815 -6.965
215 HB1 ALA 26 2HB ALA 26 2.000 7.206 -5.005
216 HB2 ALA 26 3HB ALA 26 1.896 6.178 -6.434
217 HB3 ALA 26 1HB ALA 26 2.104 7.920 -6.615
218 H GLN 27 H GLN 27 -1.828 6.637 -4.591
219 HA GLN 27 HA GLN 27 -2.778 4.620 -4.003
220 HB2 GLN 27 2HB GLN 27 -3.855 3.538 -6.013
221 HB3 GLN 27 3HB GLN 27 -4.190 5.252 -5.809
222 HG2 GLN 27 2HG GLN 27 -2.435 5.752 -7.475
223 HG3 GLN 27 3HG GLN 27 -2.229 4.019 -7.728
224 HE21 GLN 27 1HE2 GLN 27 -4.999 6.225 -7.443
225 HE22 GLN 27 2HE2 GLN 27 -5.787 5.693 -8.885
226 H ILE 28 H ILE 28 -0.201 4.163 -3.678
227 HA ILE 28 HA ILE 28 0.146 1.454 -4.745
228 HB ILE 28 HB ILE 28 2.601 1.881 -4.986
229 HG12 ILE 28 2HG1 ILE 28 1.838 4.801 -4.992
230 HG13 ILE 28 3HG1 ILE 28 2.506 3.999 -3.575
231 HG21 ILE 28 1HG2 ILE 28 0.454 2.833 -6.718
232 HG22 ILE 28 2HG2 ILE 28 2.016 3.578 -7.054
233 HG23 ILE 28 3HG2 ILE 28 1.850 1.823 -7.092
234 HD11 ILE 28 2HD1 ILE 28 4.402 3.310 -5.232
235 HD12 ILE 28 3HD1 ILE 28 3.811 4.693 -6.154
236 HD13 ILE 28 1HD1 ILE 28 4.383 4.916 -4.502
237 H CYS 29 H CYS 29 2.002 0.325 -3.550
238 HA CYS 29 HA CYS 29 1.550 0.720 -0.702
239 HB2 CYS 29 2HB CYS 29 3.235 -1.450 -1.938
240 HB3 CYS 29 3HB CYS 29 2.391 -1.466 -0.393
241 H VAL 30 H VAL 30 2.877 1.903 0.487
242 HA VAL 30 HA VAL 30 5.752 1.793 0.001
243 HB VAL 30 HB VAL 30 5.927 4.283 0.231
244 HG11 VAL 30 2HG1 VAL 30 5.710 4.679 -2.063
245 HG12 VAL 30 3HG1 VAL 30 5.967 2.937 -1.950
246 HG13 VAL 30 1HG1 VAL 30 4.344 3.572 -2.216
247 HG21 VAL 30 1HG2 VAL 30 4.138 5.528 0.653
248 HG22 VAL 30 2HG2 VAL 30 3.339 4.928 -0.800
249 HG23 VAL 30 3HG2 VAL 30 3.163 4.060 0.725
250 H ASP 31 H ASP 31 6.676 1.344 1.878
251 HA ASP 31 HA ASP 31 5.456 1.251 4.341
252 HB2 ASP 31 2HB ASP 31 8.391 1.859 3.968
253 HB3 ASP 31 3HB ASP 31 7.631 0.998 5.303
254 HA PRO 32 HA PRO 32 5.061 5.377 5.796
255 HB2 PRO 32 2HB PRO 32 5.241 4.966 8.474
256 HB3 PRO 32 3HB PRO 32 3.823 4.505 7.525
257 HG2 PRO 32 2HG PRO 32 6.100 2.810 8.474
258 HG3 PRO 32 3HG PRO 32 4.364 2.450 8.470
259 HD2 PRO 32 2HD PRO 32 6.056 1.481 6.592
260 HD3 PRO 32 3HD PRO 32 4.360 1.872 6.239
261 H ASN 33 H ASN 33 7.787 3.454 6.934
262 HA ASN 33 HA ASN 33 9.247 5.815 7.790
263 HB2 ASN 33 2HB ASN 33 10.444 3.068 7.623
264 HB3 ASN 33 3HB ASN 33 10.794 4.363 8.762
265 HD21 ASN 33 1HD2 ASN 33 8.731 1.707 7.989
266 HD22 ASN 33 2HD2 ASN 33 7.865 1.671 9.483
267 H LYS 34 H LYS 34 8.826 3.995 4.959
268 HA LYS 34 HA LYS 34 11.284 4.029 3.710
269 HB2 LYS 34 2HB LYS 34 9.448 2.928 2.653
270 HB3 LYS 34 3HB LYS 34 8.514 4.416 2.581
271 HG2 LYS 34 2HG LYS 34 9.418 3.779 0.398
272 HG3 LYS 34 3HG LYS 34 10.041 5.337 0.946
273 HD2 LYS 34 2HD LYS 34 12.125 4.590 0.757
274 HD3 LYS 34 3HD LYS 34 11.776 3.281 1.890
275 HE2 LYS 34 2HE LYS 34 12.473 2.163 -0.027
276 HE3 LYS 34 3HE LYS 34 10.715 2.102 -0.138
277 HZ1 LYS 34 2HZ LYS 34 10.749 3.268 -2.013
278 HZ2 LYS 34 3HZ LYS 34 12.423 3.027 -2.057
279 HZ3 LYS 34 1HZ LYS 34 11.789 4.440 -1.377
280 H GLY 35 H GLY 35 8.951 6.653 4.064
281 HA2 GLY 35 2HA GLY 35 10.318 8.837 4.300
282 HA3 GLY 35 3HA GLY 35 10.793 8.459 2.651
283 H TRP 36 H TRP 36 8.134 7.363 2.003
284 HA TRP 36 HA TRP 36 6.282 8.132 0.917
285 HB2 TRP 36 2HB TRP 36 6.195 9.160 3.662
286 HB3 TRP 36 3HB TRP 36 5.197 10.074 2.535
287 HD1 TRP 36 1HD TRP 36 5.762 6.257 3.059
288 HE1 TRP 36 1HE TRP 36 3.451 5.126 3.124
289 HE3 TRP 36 3HE TRP 36 2.819 10.396 2.474
290 HZ2 TRP 36 2HZ TRP 36 0.739 5.888 2.949
291 HZ3 TRP 36 3HZ TRP 36 0.375 10.108 2.433
292 HH2 TRP 36 2HH TRP 36 -0.642 7.901 2.665
Start of MODEL 19
1 H1 ASP 1 H ASP 1 -13.971 -8.514 -2.002
2 HA ASP 1 HA ASP 1 -12.924 -6.110 -3.306
3 HB2 ASP 1 2HB ASP 1 -11.963 -6.891 -0.562
4 HB3 ASP 1 3HB ASP 1 -11.702 -5.378 -1.425
5 H PHE 2 H PHE 2 -10.459 -6.179 -3.337
6 HA PHE 2 HA PHE 2 -9.674 -8.861 -4.179
7 HB2 PHE 2 2HB PHE 2 -8.681 -6.098 -4.741
8 HB3 PHE 2 3HB PHE 2 -7.572 -7.453 -4.935
9 HD1 PHE 2 2HD PHE 2 -9.020 -9.550 -6.121
10 HD2 PHE 2 1HD PHE 2 -9.472 -5.365 -6.756
11 HE1 PHE 2 2HE PHE 2 -9.956 -9.993 -8.353
12 HE2 PHE 2 1HE PHE 2 -10.408 -5.802 -8.989
13 HZ PHE 2 HZ PHE 2 -10.651 -8.118 -9.790
14 HA PRO 3 HA PRO 3 -6.978 -9.694 -0.821
15 HB2 PRO 3 2HB PRO 3 -4.867 -10.881 -2.050
16 HB3 PRO 3 3HB PRO 3 -6.440 -11.668 -1.868
17 HG2 PRO 3 2HG PRO 3 -5.295 -10.248 -4.242
18 HG3 PRO 3 3HG PRO 3 -6.199 -11.772 -4.179
19 HD2 PRO 3 2HD PRO 3 -7.347 -9.427 -4.894
20 HD3 PRO 3 3HD PRO 3 -8.237 -10.704 -4.041
21 H LEU 4 H LEU 4 -4.870 -9.242 0.130
22 HA LEU 4 HA LEU 4 -4.039 -6.594 -0.247
23 HB2 LEU 4 2HB LEU 4 -2.479 -8.826 1.045
24 HB3 LEU 4 3HB LEU 4 -2.247 -7.097 1.297
25 HG LEU 4 HG LEU 4 -4.829 -8.456 2.009
26 HD11 LEU 4 2HD1 LEU 4 -2.507 -9.287 3.103
27 HD12 LEU 4 3HD1 LEU 4 -4.047 -9.251 3.962
28 HD13 LEU 4 1HD1 LEU 4 -2.894 -7.932 4.163
29 HD21 LEU 4 1HD2 LEU 4 -3.931 -5.796 2.007
30 HD22 LEU 4 2HD2 LEU 4 -3.973 -6.299 3.697
31 HD23 LEU 4 3HD2 LEU 4 -5.423 -6.432 2.701
32 H SER 5 H SER 5 -1.782 -5.902 -0.744
33 HA SER 5 HA SER 5 -0.638 -7.497 -2.942
34 HB2 SER 5 2HB SER 5 -0.297 -4.556 -3.055
35 HB3 SER 5 3HB SER 5 -0.582 -5.712 -4.357
36 HG SER 5 HG SER 5 -2.371 -4.296 -3.966
37 H LYS 6 H LYS 6 1.656 -6.737 -3.464
38 HA LYS 6 HA LYS 6 3.127 -6.605 -0.941
39 HB2 LYS 6 2HB LYS 6 4.940 -7.577 -2.050
40 HB3 LYS 6 3HB LYS 6 3.545 -8.358 -2.784
41 HG2 LYS 6 2HG LYS 6 3.908 -6.202 -4.417
42 HG3 LYS 6 3HG LYS 6 5.564 -6.614 -3.969
43 HD2 LYS 6 2HD LYS 6 3.773 -8.847 -4.740
44 HD3 LYS 6 3HD LYS 6 4.300 -7.755 -6.025
45 HE2 LYS 6 2HE LYS 6 6.646 -8.162 -4.798
46 HE3 LYS 6 3HE LYS 6 5.852 -9.685 -4.405
47 HZ1 LYS 6 2HZ LYS 6 7.177 -9.195 -6.691
48 HZ2 LYS 6 3HZ LYS 6 5.583 -8.879 -7.163
49 HZ3 LYS 6 1HZ LYS 6 5.990 -10.386 -6.510
50 H GLU 7 H GLU 7 5.326 -5.409 -1.172
51 HA GLU 7 HA GLU 7 4.879 -2.694 -1.264
52 HB2 GLU 7 2HB GLU 7 7.304 -2.415 -1.324
53 HB3 GLU 7 3HB GLU 7 6.852 -3.706 -0.220
54 HG2 GLU 7 2HG GLU 7 7.291 -4.832 -2.794
55 HG3 GLU 7 3HG GLU 7 8.658 -3.797 -2.387
56 H TYR 8 H TYR 8 4.950 -1.113 -2.779
57 HA TYR 8 HA TYR 8 4.902 -0.116 -4.823
58 HB2 TYR 8 2HB TYR 8 6.771 -2.329 -5.689
59 HB3 TYR 8 3HB TYR 8 6.554 -0.766 -6.467
60 HD1 TYR 8 1HD TYR 8 6.550 1.010 -4.073
61 HD2 TYR 8 2HD TYR 8 9.032 -2.297 -5.076
62 HE1 TYR 8 1HE TYR 8 8.352 1.952 -2.691
63 HE2 TYR 8 2HE TYR 8 10.841 -1.365 -3.695
64 HH TYR 8 HH TYR 8 10.688 1.833 -2.381
65 H GLU 9 H GLU 9 2.686 -1.416 -4.446
66 HA GLU 9 HA GLU 9 2.119 -2.649 -7.042
67 HB2 GLU 9 2HB GLU 9 2.440 -4.354 -5.114
68 HB3 GLU 9 3HB GLU 9 0.882 -3.771 -4.545
69 HG2 GLU 9 2HG GLU 9 0.690 -5.806 -5.893
70 HG3 GLU 9 3HG GLU 9 -0.173 -4.443 -6.602
71 H SER 10 H SER 10 -0.093 -2.506 -7.699
72 HA SER 10 HA SER 10 -1.295 -0.061 -7.308
73 HB2 SER 10 2HB SER 10 -3.429 -1.303 -8.117
74 HB3 SER 10 3HB SER 10 -2.031 -1.240 -9.190
75 HG SER 10 HG SER 10 -2.458 -3.390 -7.405
76 H CYS 11 H CYS 11 -2.811 0.782 -5.957
77 HA CYS 11 HA CYS 11 -3.678 -0.924 -3.715
78 HB2 CYS 11 2HB CYS 11 -2.042 0.764 -3.003
79 HB3 CYS 11 3HB CYS 11 -3.057 2.037 -3.674
80 H VAL 12 H VAL 12 -4.604 1.185 -6.246
81 HA VAL 12 HA VAL 12 -6.922 2.375 -5.523
82 HB VAL 12 HB VAL 12 -6.222 2.625 -7.768
83 HG11 VAL 12 2HG1 VAL 12 -5.171 0.911 -8.729
84 HG12 VAL 12 3HG1 VAL 12 -5.953 -0.258 -7.665
85 HG13 VAL 12 1HG1 VAL 12 -6.767 0.276 -9.135
86 HG21 VAL 12 1HG2 VAL 12 -8.787 2.296 -7.163
87 HG22 VAL 12 2HG2 VAL 12 -8.247 2.615 -8.811
88 HG23 VAL 12 3HG2 VAL 12 -8.622 0.967 -8.310
89 H ARG 13 H ARG 13 -8.598 1.677 -4.385
90 HA ARG 13 HA ARG 13 -9.240 -0.868 -3.665
91 HB2 ARG 13 2HB ARG 13 -10.910 1.593 -4.012
92 HB3 ARG 13 3HB ARG 13 -11.686 0.074 -3.586
93 HG2 ARG 13 2HG ARG 13 -9.978 -0.041 -1.679
94 HG3 ARG 13 3HG ARG 13 -9.696 1.668 -2.018
95 HD2 ARG 13 2HD ARG 13 -11.338 1.857 -0.445
96 HD3 ARG 13 3HD ARG 13 -12.331 1.763 -1.898
97 HE ARG 13 HE ARG 13 -11.824 -0.807 -0.758
98 HH11 ARG 13 1HH1 ARG 13 -13.814 2.039 -0.517
99 HH12 ARG 13 2HH1 ARG 13 -15.142 1.207 0.223
100 HH21 ARG 13 1HH2 ARG 13 -13.565 -1.914 0.215
101 HH22 ARG 13 2HH2 ARG 13 -14.998 -1.040 0.639
102 HA PRO 14 HA PRO 14 -11.399 -1.877 -3.176
103 HB2 PRO 14 2HB PRO 14 -11.646 -4.573 -3.385
104 HB3 PRO 14 3HB PRO 14 -12.957 -3.454 -3.781
105 HG2 PRO 14 2HG PRO 14 -11.034 -4.842 -5.608
106 HG3 PRO 14 3HG PRO 14 -12.781 -4.603 -5.796
107 HD2 PRO 14 2HD PRO 14 -10.954 -3.066 -7.073
108 HD3 PRO 14 3HD PRO 14 -12.530 -2.438 -6.549
109 H ARG 15 H ARG 15 -8.826 -2.729 -5.189
110 HA ARG 15 HA ARG 15 -7.307 -4.558 -3.848
111 HB2 ARG 15 2HB ARG 15 -6.205 -2.006 -5.033
112 HB3 ARG 15 3HB ARG 15 -5.352 -3.529 -4.821
113 HG2 ARG 15 2HG ARG 15 -6.962 -4.573 -6.411
114 HG3 ARG 15 3HG ARG 15 -7.627 -2.965 -6.706
115 HD2 ARG 15 2HD ARG 15 -5.760 -2.248 -7.827
116 HD3 ARG 15 3HD ARG 15 -4.690 -3.357 -6.970
117 HE ARG 15 HE ARG 15 -5.122 -4.963 -8.557
118 HH11 ARG 15 1HH1 ARG 15 -7.369 -2.328 -8.913
119 HH12 ARG 15 2HH1 ARG 15 -7.993 -2.892 -10.427
120 HH21 ARG 15 1HH2 ARG 15 -5.934 -5.716 -10.551
121 HH22 ARG 15 2HH2 ARG 15 -7.176 -4.820 -11.357
122 H LYS 16 H LYS 16 -5.446 -4.290 -2.405
123 HA LYS 16 HA LYS 16 -5.387 -1.953 -0.702
124 HB2 LYS 16 2HB LYS 16 -6.596 -4.533 0.150
125 HB3 LYS 16 3HB LYS 16 -5.559 -3.713 1.310
126 HG2 LYS 16 2HG LYS 16 -6.953 -1.679 1.040
127 HG3 LYS 16 3HG LYS 16 -8.037 -2.612 0.005
128 HD2 LYS 16 2HD LYS 16 -9.113 -2.909 1.988
129 HD3 LYS 16 3HD LYS 16 -7.978 -4.255 2.097
130 HE2 LYS 16 2HE LYS 16 -6.461 -2.887 3.422
131 HE3 LYS 16 3HE LYS 16 -7.554 -1.511 3.277
132 HZ1 LYS 16 2HZ LYS 16 -7.934 -2.503 5.376
133 HZ2 LYS 16 3HZ LYS 16 -8.047 -4.056 4.715
134 HZ3 LYS 16 1HZ LYS 16 -9.258 -2.915 4.407
135 H CYS 17 H CYS 17 -3.512 -1.814 0.564
136 HA CYS 17 HA CYS 17 -1.419 -3.736 -0.195
137 HB2 CYS 17 2HB CYS 17 -1.250 -0.844 0.667
138 HB3 CYS 17 3HB CYS 17 0.158 -1.882 0.466
139 H LYS 18 H LYS 18 -1.042 -5.206 1.321
140 HA LYS 18 HA LYS 18 -1.850 -5.145 3.962
141 HB2 LYS 18 2HB LYS 18 -1.184 -7.220 2.982
142 HB3 LYS 18 3HB LYS 18 0.433 -6.616 2.647
143 HG2 LYS 18 2HG LYS 18 0.677 -6.383 5.179
144 HG3 LYS 18 3HG LYS 18 -0.766 -7.395 5.281
145 HD2 LYS 18 2HD LYS 18 1.798 -8.127 3.866
146 HD3 LYS 18 3HD LYS 18 1.295 -8.719 5.451
147 HE2 LYS 18 2HE LYS 18 -0.694 -9.731 4.422
148 HE3 LYS 18 3HE LYS 18 -0.155 -9.162 2.842
149 HZ1 LYS 18 2HZ LYS 18 0.431 -11.570 3.894
150 HZ2 LYS 18 3HZ LYS 18 1.823 -10.689 4.279
151 HZ3 LYS 18 1HZ LYS 18 1.318 -10.814 2.670
152 HA PRO 19 HA PRO 19 0.862 -2.299 5.954
153 HB2 PRO 19 2HB PRO 19 0.567 -3.174 8.507
154 HB3 PRO 19 3HB PRO 19 -0.682 -2.258 7.656
155 HG2 PRO 19 2HG PRO 19 -0.467 -5.212 8.097
156 HG3 PRO 19 3HG PRO 19 -1.891 -4.163 8.224
157 HD2 PRO 19 2HD PRO 19 -1.409 -5.709 6.053
158 HD3 PRO 19 3HD PRO 19 -2.234 -4.140 5.944
159 HA PRO 20 HA PRO 20 1.847 -1.712 8.226
160 HB2 PRO 20 2HB PRO 20 4.233 -0.417 8.279
161 HB3 PRO 20 3HB PRO 20 3.762 -1.612 9.492
162 HG2 PRO 20 2HG PRO 20 5.523 -1.941 7.094
163 HG3 PRO 20 3HG PRO 20 5.748 -2.559 8.740
164 HD2 PRO 20 2HD PRO 20 4.817 -4.102 6.720
165 HD3 PRO 20 3HD PRO 20 4.313 -4.331 8.407
166 H LEU 21 H LEU 21 3.178 -2.355 5.182
167 HA LEU 21 HA LEU 21 3.711 -0.002 3.954
168 HB2 LEU 21 2HB LEU 21 1.853 -2.005 2.705
169 HB3 LEU 21 3HB LEU 21 3.026 -0.961 1.905
170 HG LEU 21 HG LEU 21 3.654 -3.344 3.648
171 HD11 LEU 21 2HD1 LEU 21 2.905 -4.203 1.618
172 HD12 LEU 21 3HD1 LEU 21 4.654 -4.119 1.415
173 HD13 LEU 21 1HD1 LEU 21 3.621 -2.889 0.686
174 HD21 LEU 21 1HD2 LEU 21 5.221 -1.073 3.075
175 HD22 LEU 21 2HD2 LEU 21 5.850 -2.389 2.084
176 HD23 LEU 21 3HD2 LEU 21 5.730 -2.582 3.833
177 H LYS 22 H LYS 22 2.629 1.750 3.172
178 HA LYS 22 HA LYS 22 -0.250 1.909 3.785
179 HB2 LYS 22 2HB LYS 22 1.879 4.037 4.025
180 HB3 LYS 22 3HB LYS 22 0.155 4.381 4.097
181 HG2 LYS 22 2HG LYS 22 1.262 2.321 5.932
182 HG3 LYS 22 3HG LYS 22 1.581 4.022 6.277
183 HD2 LYS 22 2HD LYS 22 -0.928 4.379 6.010
184 HD3 LYS 22 3HD LYS 22 -1.074 2.621 6.076
185 HE2 LYS 22 2HE LYS 22 -1.318 3.061 8.289
186 HE3 LYS 22 3HE LYS 22 0.442 2.979 8.235
187 HZ1 LYS 22 2HZ LYS 22 0.645 5.240 8.420
188 HZ2 LYS 22 3HZ LYS 22 -0.738 4.983 9.359
189 HZ3 LYS 22 1HZ LYS 22 -0.886 5.558 7.775
190 H CYS 23 H CYS 23 -1.396 3.605 2.480
191 HA CYS 23 HA CYS 23 -0.407 3.526 -0.292
192 HB2 CYS 23 2HB CYS 23 -3.221 3.719 0.798
193 HB3 CYS 23 3HB CYS 23 -2.818 3.889 -0.908
194 H ASN 24 H ASN 24 -0.492 5.374 -1.576
195 HA ASN 24 HA ASN 24 -1.080 7.897 -0.179
196 HB2 ASN 24 2HB ASN 24 0.897 8.920 -0.976
197 HB3 ASN 24 3HB ASN 24 1.409 7.348 -0.371
198 HD21 ASN 24 1HD2 ASN 24 1.525 5.602 -2.018
199 HD22 ASN 24 2HD2 ASN 24 2.118 6.020 -3.586
200 H LYS 25 H LYS 25 -0.580 9.663 -2.197
201 HA LYS 25 HA LYS 25 -2.909 9.603 -3.713
202 HB2 LYS 25 2HB LYS 25 -1.947 11.436 -5.000
203 HB3 LYS 25 3HB LYS 25 -1.605 11.646 -3.287
204 HG2 LYS 25 2HG LYS 25 0.635 10.455 -3.871
205 HG3 LYS 25 3HG LYS 25 0.248 10.954 -5.519
206 HD2 LYS 25 2HD LYS 25 0.395 12.803 -3.138
207 HD3 LYS 25 3HD LYS 25 1.679 12.584 -4.330
208 HE2 LYS 25 2HE LYS 25 -0.096 13.220 -6.068
209 HE3 LYS 25 3HE LYS 25 -1.041 13.800 -4.697
210 HZ1 LYS 25 2HZ LYS 25 0.855 15.231 -4.103
211 HZ2 LYS 25 3HZ LYS 25 0.208 15.605 -5.621
212 HZ3 LYS 25 1HZ LYS 25 1.656 14.736 -5.507
213 H ALA 26 H ALA 26 0.196 8.167 -4.317
214 HA ALA 26 HA ALA 26 -0.279 7.683 -7.115
215 HB1 ALA 26 2HB ALA 26 1.886 7.093 -5.184
216 HB2 ALA 26 3HB ALA 26 1.752 6.042 -6.593
217 HB3 ALA 26 1HB ALA 26 1.966 7.779 -6.807
218 H GLN 27 H GLN 27 -1.939 6.549 -4.698
219 HA GLN 27 HA GLN 27 -2.890 4.544 -4.068
220 HB2 GLN 27 2HB GLN 27 -4.003 3.441 -6.048
221 HB3 GLN 27 3HB GLN 27 -4.332 5.157 -5.853
222 HG2 GLN 27 2HG GLN 27 -2.603 5.638 -7.555
223 HG3 GLN 27 3HG GLN 27 -2.408 3.903 -7.796
224 HE21 GLN 27 1HE2 GLN 27 -5.185 6.090 -7.456
225 HE22 GLN 27 2HE2 GLN 27 -5.994 5.560 -8.888
226 H ILE 28 H ILE 28 -0.316 4.070 -3.771
227 HA ILE 28 HA ILE 28 -0.001 1.348 -4.811
228 HB ILE 28 HB ILE 28 2.453 1.758 -5.098
229 HG12 ILE 28 2HG1 ILE 28 1.703 4.682 -5.137
230 HG13 ILE 28 3HG1 ILE 28 2.391 3.898 -3.719
231 HG21 ILE 28 1HG2 ILE 28 1.509 3.583 -7.094
232 HG22 ILE 28 2HG2 ILE 28 1.969 1.890 -7.260
233 HG23 ILE 28 3HG2 ILE 28 0.313 2.313 -6.829
234 HD11 ILE 28 2HD1 ILE 28 3.657 4.599 -6.304
235 HD12 ILE 28 3HD1 ILE 28 4.276 4.744 -4.660
236 HD13 ILE 28 1HD1 ILE 28 4.236 3.168 -5.452
237 H CYS 29 H CYS 29 1.918 0.256 -3.641
238 HA CYS 29 HA CYS 29 1.487 0.656 -0.791
239 HB2 CYS 29 2HB CYS 29 3.207 -1.484 -2.029
240 HB3 CYS 29 3HB CYS 29 2.372 -1.511 -0.479
241 H VAL 30 H VAL 30 2.802 1.875 0.376
242 HA VAL 30 HA VAL 30 5.672 1.859 -0.197
243 HB VAL 30 HB VAL 30 5.815 4.308 0.070
244 HG11 VAL 30 2HG1 VAL 30 3.906 3.976 -2.174
245 HG12 VAL 30 3HG1 VAL 30 5.508 4.715 -2.146
246 HG13 VAL 30 1HG1 VAL 30 5.349 2.959 -2.173
247 HG21 VAL 30 1HG2 VAL 30 4.093 5.399 0.955
248 HG22 VAL 30 2HG2 VAL 30 3.223 5.153 -0.559
249 HG23 VAL 30 3HG2 VAL 30 3.040 3.998 0.761
250 H ASP 31 H ASP 31 6.818 1.600 1.603
251 HA ASP 31 HA ASP 31 5.755 1.151 4.100
252 HB2 ASP 31 2HB ASP 31 8.476 1.802 3.088
253 HB3 ASP 31 3HB ASP 31 8.210 1.931 4.825
254 HA PRO 32 HA PRO 32 4.705 5.059 5.812
255 HB2 PRO 32 2HB PRO 32 5.023 4.518 8.454
256 HB3 PRO 32 3HB PRO 32 3.676 3.887 7.499
257 HG2 PRO 32 2HG PRO 32 6.227 2.540 8.297
258 HG3 PRO 32 3HG PRO 32 4.574 1.896 8.298
259 HD2 PRO 32 2HD PRO 32 6.352 1.342 6.333
260 HD3 PRO 32 3HD PRO 32 4.608 1.466 6.034
261 H ASN 33 H ASN 33 7.571 3.578 7.341
262 HA ASN 33 HA ASN 33 8.725 6.247 7.693
263 HB2 ASN 33 2HB ASN 33 9.964 3.696 8.694
264 HB3 ASN 33 3HB ASN 33 10.134 5.329 9.330
265 HD21 ASN 33 1HD2 ASN 33 8.390 2.410 9.450
266 HD22 ASN 33 2HD2 ASN 33 7.226 2.882 10.637
267 H LYS 34 H LYS 34 8.556 5.125 5.064
268 HA LYS 34 HA LYS 34 11.176 4.139 4.361
269 HB2 LYS 34 2HB LYS 34 10.272 3.619 2.346
270 HB3 LYS 34 3HB LYS 34 8.760 3.805 3.225
271 HG2 LYS 34 2HG LYS 34 8.762 6.214 2.457
272 HG3 LYS 34 3HG LYS 34 10.082 5.766 1.373
273 HD2 LYS 34 2HD LYS 34 8.274 3.801 0.856
274 HD3 LYS 34 3HD LYS 34 7.211 5.167 1.208
275 HE2 LYS 34 2HE LYS 34 7.531 5.478 -1.035
276 HE3 LYS 34 3HE LYS 34 8.870 6.433 -0.401
277 HZ1 LYS 34 2HZ LYS 34 10.299 4.459 -0.711
278 HZ2 LYS 34 3HZ LYS 34 9.666 5.052 -2.163
279 HZ3 LYS 34 1HZ LYS 34 9.007 3.663 -1.458
280 H GLY 35 H GLY 35 9.472 7.196 4.336
281 HA2 GLY 35 2HA GLY 35 10.994 9.152 4.579
282 HA3 GLY 35 3HA GLY 35 11.905 8.468 3.240
283 H TRP 36 H TRP 36 8.430 8.358 3.259
284 HA TRP 36 HA TRP 36 8.421 10.244 1.006
285 HB2 TRP 36 2HB TRP 36 6.435 9.175 0.232
286 HB3 TRP 36 3HB TRP 36 7.548 7.890 0.690
287 HD1 TRP 36 1HD TRP 36 7.058 6.847 3.274
288 HE1 TRP 36 1HE TRP 36 4.778 6.325 4.348
289 HE3 TRP 36 3HE TRP 36 4.082 9.774 0.322
290 HZ2 TRP 36 2HZ TRP 36 2.075 7.056 3.991
291 HZ3 TRP 36 3HZ TRP 36 1.660 9.806 0.754
292 HH2 TRP 36 2HH TRP 36 0.679 8.475 2.551
Start of MODEL 20
1 H1 ASP 1 H ASP 1 -14.607 -8.112 -2.304
2 HA ASP 1 HA ASP 1 -12.895 -5.939 -3.245
3 HB2 ASP 1 2HB ASP 1 -12.561 -7.388 -0.631
4 HB3 ASP 1 3HB ASP 1 -12.106 -5.737 -1.043
5 H PHE 2 H PHE 2 -10.608 -6.155 -3.350
6 HA PHE 2 HA PHE 2 -9.779 -8.840 -4.152
7 HB2 PHE 2 2HB PHE 2 -8.747 -6.080 -4.709
8 HB3 PHE 2 3HB PHE 2 -7.698 -7.474 -4.940
9 HD1 PHE 2 1HD PHE 2 -9.327 -9.493 -6.098
10 HD2 PHE 2 2HD PHE 2 -9.454 -5.287 -6.739
11 HE1 PHE 2 1HE PHE 2 -10.310 -9.865 -8.322
12 HE2 PHE 2 2HE PHE 2 -10.438 -5.652 -8.964
13 HZ PHE 2 HZ PHE 2 -10.868 -7.943 -9.759
14 HA PRO 3 HA PRO 3 -7.166 -9.566 -0.704
15 HB2 PRO 3 2HB PRO 3 -5.038 -10.800 -1.853
16 HB3 PRO 3 3HB PRO 3 -6.616 -11.575 -1.674
17 HG2 PRO 3 2HG PRO 3 -5.423 -10.240 -4.073
18 HG3 PRO 3 3HG PRO 3 -6.333 -11.759 -3.975
19 HD2 PRO 3 2HD PRO 3 -7.460 -9.436 -4.791
20 HD3 PRO 3 3HD PRO 3 -8.369 -10.682 -3.911
21 H LEU 4 H LEU 4 -4.948 -9.205 0.175
22 HA LEU 4 HA LEU 4 -4.141 -6.533 -0.216
23 HB2 LEU 4 2HB LEU 4 -2.619 -8.769 1.115
24 HB3 LEU 4 3HB LEU 4 -2.320 -7.043 1.312
25 HG LEU 4 HG LEU 4 -4.962 -8.239 2.074
26 HD11 LEU 4 2HD1 LEU 4 -2.777 -7.907 4.080
27 HD12 LEU 4 3HD1 LEU 4 -2.879 -9.393 3.136
28 HD13 LEU 4 1HD1 LEU 4 -4.232 -8.900 4.154
29 HD21 LEU 4 1HD2 LEU 4 -4.566 -6.307 3.817
30 HD22 LEU 4 2HD2 LEU 4 -5.167 -5.964 2.194
31 HD23 LEU 4 3HD2 LEU 4 -3.462 -5.717 2.575
32 H SER 5 H SER 5 -1.902 -5.847 -0.756
33 HA SER 5 HA SER 5 -0.789 -7.478 -2.945
34 HB2 SER 5 2HB SER 5 -0.354 -4.554 -3.059
35 HB3 SER 5 3HB SER 5 -0.721 -5.693 -4.355
36 HG SER 5 HG SER 5 -2.693 -5.014 -4.225
37 H LYS 6 H LYS 6 1.519 -6.850 -3.461
38 HA LYS 6 HA LYS 6 3.007 -6.744 -0.952
39 HB2 LYS 6 2HB LYS 6 4.779 -7.770 -2.072
40 HB3 LYS 6 3HB LYS 6 3.360 -8.495 -2.816
41 HG2 LYS 6 2HG LYS 6 3.787 -6.346 -4.432
42 HG3 LYS 6 3HG LYS 6 5.434 -6.790 -3.976
43 HD2 LYS 6 2HD LYS 6 4.056 -9.187 -4.556
44 HD3 LYS 6 3HD LYS 6 3.685 -8.049 -5.853
45 HE2 LYS 6 2HE LYS 6 6.011 -7.707 -6.304
46 HE3 LYS 6 3HE LYS 6 6.475 -8.628 -4.875
47 HZ1 LYS 6 2HZ LYS 6 6.703 -9.898 -6.946
48 HZ2 LYS 6 3HZ LYS 6 5.039 -9.755 -7.217
49 HZ3 LYS 6 1HZ LYS 6 5.609 -10.617 -5.876
50 H GLU 7 H GLU 7 5.235 -5.607 -1.179
51 HA GLU 7 HA GLU 7 4.860 -2.879 -1.269
52 HB2 GLU 7 2HB GLU 7 7.295 -2.669 -1.317
53 HB3 GLU 7 3HB GLU 7 6.796 -3.939 -0.208
54 HG2 GLU 7 2HG GLU 7 7.224 -5.081 -2.782
55 HG3 GLU 7 3HG GLU 7 8.623 -4.101 -2.344
56 H TYR 8 H TYR 8 5.008 -1.298 -2.783
57 HA TYR 8 HA TYR 8 5.013 -0.299 -4.826
58 HB2 TYR 8 2HB TYR 8 6.780 -2.590 -5.701
59 HB3 TYR 8 3HB TYR 8 6.644 -1.008 -6.459
60 HD1 TYR 8 2HD TYR 8 6.723 0.741 -4.051
61 HD2 TYR 8 1HD TYR 8 9.031 -2.687 -5.067
62 HE1 TYR 8 2HE TYR 8 8.565 1.573 -2.650
63 HE2 TYR 8 1HE TYR 8 10.878 -1.865 -3.668
64 HH TYR 8 HH TYR 8 11.658 -0.145 -2.469
65 H GLU 9 H GLU 9 2.754 -1.572 -4.413
66 HA GLU 9 HA GLU 9 2.133 -2.753 -7.026
67 HB2 GLU 9 2HB GLU 9 2.393 -4.476 -5.114
68 HB3 GLU 9 3HB GLU 9 0.869 -3.830 -4.521
69 HG2 GLU 9 2HG GLU 9 0.574 -5.849 -5.876
70 HG3 GLU 9 3HG GLU 9 -0.242 -4.447 -6.566
71 H SER 10 H SER 10 -0.075 -2.529 -7.676
72 HA SER 10 HA SER 10 -1.182 -0.036 -7.271
73 HB2 SER 10 2HB SER 10 -3.282 -1.006 -8.238
74 HB3 SER 10 3HB SER 10 -1.832 -1.378 -9.170
75 HG SER 10 HG SER 10 -2.925 -3.276 -8.960
76 H CYS 11 H CYS 11 -2.685 0.844 -5.926
77 HA CYS 11 HA CYS 11 -3.603 -0.847 -3.692
78 HB2 CYS 11 2HB CYS 11 -1.940 0.804 -2.967
79 HB3 CYS 11 3HB CYS 11 -2.915 2.099 -3.652
80 H VAL 12 H VAL 12 -4.475 1.293 -6.220
81 HA VAL 12 HA VAL 12 -6.770 2.526 -5.508
82 HB VAL 12 HB VAL 12 -6.060 2.762 -7.751
83 HG11 VAL 12 2HG1 VAL 12 -5.031 1.024 -8.696
84 HG12 VAL 12 3HG1 VAL 12 -5.856 -0.130 -7.648
85 HG13 VAL 12 1HG1 VAL 12 -6.637 0.431 -9.127
86 HG21 VAL 12 1HG2 VAL 12 -8.069 2.594 -8.935
87 HG22 VAL 12 2HG2 VAL 12 -8.559 1.132 -8.078
88 HG23 VAL 12 3HG2 VAL 12 -8.575 2.688 -7.248
89 H ARG 13 H ARG 13 -8.460 1.861 -4.369
90 HA ARG 13 HA ARG 13 -9.158 -0.670 -3.655
91 HB2 ARG 13 2HB ARG 13 -10.786 1.820 -4.011
92 HB3 ARG 13 3HB ARG 13 -11.580 0.316 -3.565
93 HG2 ARG 13 2HG ARG 13 -10.060 0.155 -1.611
94 HG3 ARG 13 3HG ARG 13 -9.415 1.742 -2.036
95 HD2 ARG 13 2HD ARG 13 -11.756 2.627 -1.881
96 HD3 ARG 13 3HD ARG 13 -12.236 1.061 -1.230
97 HE ARG 13 HE ARG 13 -10.065 2.145 0.237
98 HH11 ARG 13 1HH1 ARG 13 -13.500 2.452 -0.242
99 HH12 ARG 13 2HH1 ARG 13 -13.797 3.074 1.347
100 HH21 ARG 13 1HH2 ARG 13 -10.444 2.962 2.332
101 HH22 ARG 13 2HH2 ARG 13 -12.058 3.365 2.810
102 HA PRO 14 HA PRO 14 -11.334 -1.638 -3.170
103 HB2 PRO 14 2HB PRO 14 -11.634 -4.328 -3.386
104 HB3 PRO 14 3HB PRO 14 -12.923 -3.183 -3.779
105 HG2 PRO 14 2HG PRO 14 -11.027 -4.604 -5.610
106 HG3 PRO 14 3HG PRO 14 -12.768 -4.329 -5.797
107 HD2 PRO 14 2HD PRO 14 -10.912 -2.825 -7.071
108 HD3 PRO 14 3HD PRO 14 -12.475 -2.168 -6.545
109 H ARG 15 H ARG 15 -8.778 -2.534 -5.184
110 HA ARG 15 HA ARG 15 -7.296 -4.396 -3.847
111 HB2 ARG 15 2HB ARG 15 -6.146 -1.866 -5.031
112 HB3 ARG 15 3HB ARG 15 -5.320 -3.404 -4.819
113 HG2 ARG 15 2HG ARG 15 -6.953 -4.417 -6.407
114 HG3 ARG 15 3HG ARG 15 -7.581 -2.795 -6.706
115 HD2 ARG 15 2HD ARG 15 -5.687 -2.118 -7.813
116 HD3 ARG 15 3HD ARG 15 -4.654 -3.271 -6.970
117 HE ARG 15 HE ARG 15 -5.142 -4.845 -8.572
118 HH11 ARG 15 1HH1 ARG 15 -7.298 -2.131 -8.898
119 HH12 ARG 15 2HH1 ARG 15 -7.942 -2.658 -10.418
120 HH21 ARG 15 1HH2 ARG 15 -5.982 -5.550 -10.572
121 HH22 ARG 15 2HH2 ARG 15 -7.193 -4.604 -11.369
122 H LYS 16 H LYS 16 -5.426 -4.163 -2.407
123 HA LYS 16 HA LYS 16 -5.327 -1.831 -0.698
124 HB2 LYS 16 2HB LYS 16 -6.652 -4.342 0.112
125 HB3 LYS 16 3HB LYS 16 -5.501 -3.695 1.273
126 HG2 LYS 16 2HG LYS 16 -6.705 -1.542 1.217
127 HG3 LYS 16 3HG LYS 16 -7.893 -2.266 0.131
128 HD2 LYS 16 2HD LYS 16 -9.013 -2.840 1.978
129 HD3 LYS 16 3HD LYS 16 -7.764 -4.065 2.216
130 HE2 LYS 16 2HE LYS 16 -7.817 -2.940 4.252
131 HE3 LYS 16 3HE LYS 16 -6.459 -2.198 3.410
132 HZ1 LYS 16 2HZ LYS 16 -8.501 -0.853 4.547
133 HZ2 LYS 16 3HZ LYS 16 -8.978 -0.896 2.924
134 HZ3 LYS 16 1HZ LYS 16 -7.481 -0.232 3.350
135 H CYS 17 H CYS 17 -3.466 -1.758 0.623
136 HA CYS 17 HA CYS 17 -1.394 -3.693 -0.170
137 HB2 CYS 17 2HB CYS 17 -1.187 -0.807 0.702
138 HB3 CYS 17 3HB CYS 17 0.208 -1.864 0.512
139 H LYS 18 H LYS 18 -1.079 -5.186 1.339
140 HA LYS 18 HA LYS 18 -1.874 -5.120 3.981
141 HB2 LYS 18 2HB LYS 18 -1.248 -7.201 2.978
142 HB3 LYS 18 3HB LYS 18 0.386 -6.630 2.668
143 HG2 LYS 18 2HG LYS 18 0.609 -6.427 5.203
144 HG3 LYS 18 3HG LYS 18 -0.861 -7.402 5.282
145 HD2 LYS 18 2HD LYS 18 1.661 -8.205 3.834
146 HD3 LYS 18 3HD LYS 18 1.217 -8.743 5.456
147 HE2 LYS 18 2HE LYS 18 -0.233 -10.256 4.671
148 HE3 LYS 18 3HE LYS 18 -0.904 -9.129 3.492
149 HZ1 LYS 18 2HZ LYS 18 1.115 -11.157 3.154
150 HZ2 LYS 18 3HZ LYS 18 1.528 -9.668 2.466
151 HZ3 LYS 18 1HZ LYS 18 0.096 -10.444 2.008
152 HA PRO 19 HA PRO 19 0.896 -2.340 5.987
153 HB2 PRO 19 2HB PRO 19 0.578 -3.219 8.536
154 HB3 PRO 19 3HB PRO 19 -0.649 -2.273 7.687
155 HG2 PRO 19 2HG PRO 19 -0.499 -5.232 8.116
156 HG3 PRO 19 3HG PRO 19 -1.900 -4.152 8.246
157 HD2 PRO 19 2HD PRO 19 -1.450 -5.700 6.070
158 HD3 PRO 19 3HD PRO 19 -2.240 -4.113 5.966
159 HA PRO 20 HA PRO 20 1.894 -1.780 8.258
160 HB2 PRO 20 2HB PRO 20 4.307 -0.538 8.314
161 HB3 PRO 20 3HB PRO 20 3.810 -1.726 9.525
162 HG2 PRO 20 2HG PRO 20 5.563 -2.089 7.126
163 HG3 PRO 20 3HG PRO 20 5.774 -2.715 8.772
164 HD2 PRO 20 2HD PRO 20 4.809 -4.233 6.748
165 HD3 PRO 20 3HD PRO 20 4.299 -4.454 8.434
166 H LEU 21 H LEU 21 3.208 -2.448 5.212
167 HA LEU 21 HA LEU 21 3.799 -0.111 3.985
168 HB2 LEU 21 2HB LEU 21 1.873 -2.048 2.735
169 HB3 LEU 21 3HB LEU 21 3.087 -1.049 1.939
170 HG LEU 21 HG LEU 21 3.619 -3.458 3.678
171 HD11 LEU 21 2HD1 LEU 21 4.385 -4.497 1.621
172 HD12 LEU 21 3HD1 LEU 21 3.973 -3.042 0.713
173 HD13 LEU 21 1HD1 LEU 21 2.700 -3.999 1.472
174 HD21 LEU 21 1HD2 LEU 21 5.717 -2.771 3.880
175 HD22 LEU 21 2HD2 LEU 21 5.273 -1.246 3.114
176 HD23 LEU 21 3HD2 LEU 21 5.857 -2.590 2.131
177 H LYS 22 H LYS 22 2.765 1.671 3.206
178 HA LYS 22 HA LYS 22 -0.112 1.907 3.808
179 HB2 LYS 22 2HB LYS 22 2.018 4.040 4.047
180 HB3 LYS 22 3HB LYS 22 0.294 4.309 4.267
181 HG2 LYS 22 2HG LYS 22 1.882 2.371 5.928
182 HG3 LYS 22 3HG LYS 22 1.641 4.062 6.371
183 HD2 LYS 22 2HD LYS 22 -0.821 3.667 6.243
184 HD3 LYS 22 3HD LYS 22 -0.483 1.953 5.996
185 HE2 LYS 22 2HE LYS 22 0.730 1.926 8.152
186 HE3 LYS 22 3HE LYS 22 0.272 3.610 8.401
187 HZ1 LYS 22 2HZ LYS 22 -1.817 1.608 7.879
188 HZ2 LYS 22 3HZ LYS 22 -1.915 3.060 8.743
189 HZ3 LYS 22 1HZ LYS 22 -1.146 1.718 9.428
190 H CYS 23 H CYS 23 -1.284 3.455 2.470
191 HA CYS 23 HA CYS 23 -0.234 3.470 -0.269
192 HB2 CYS 23 2HB CYS 23 -3.054 3.767 0.783
193 HB3 CYS 23 3HB CYS 23 -2.612 3.886 -0.918
194 H ASN 24 H ASN 24 -0.291 5.334 -1.547
195 HA ASN 24 HA ASN 24 -0.799 7.857 -0.124
196 HB2 ASN 24 2HB ASN 24 1.214 8.830 -0.887
197 HB3 ASN 24 3HB ASN 24 1.675 7.232 -0.307
198 HD21 ASN 24 1HD2 ASN 24 1.762 5.514 -1.978
199 HD22 ASN 24 2HD2 ASN 24 2.372 5.942 -3.537
200 H LYS 25 H LYS 25 -0.217 9.623 -2.130
201 HA LYS 25 HA LYS 25 -2.538 9.659 -3.657
202 HB2 LYS 25 2HB LYS 25 -1.479 11.448 -4.951
203 HB3 LYS 25 3HB LYS 25 -1.187 11.655 -3.229
204 HG2 LYS 25 2HG LYS 25 1.042 10.496 -3.632
205 HG3 LYS 25 3HG LYS 25 0.730 10.750 -5.351
206 HD2 LYS 25 2HD LYS 25 0.493 13.053 -3.467
207 HD3 LYS 25 3HD LYS 25 2.096 12.509 -3.967
208 HE2 LYS 25 2HE LYS 25 0.009 12.945 -6.047
209 HE3 LYS 25 3HE LYS 25 0.793 14.350 -5.326
210 HZ1 LYS 25 2HZ LYS 25 2.394 14.018 -6.810
211 HZ2 LYS 25 3HZ LYS 25 1.813 12.488 -7.239
212 HZ3 LYS 25 1HZ LYS 25 2.851 12.659 -5.913
213 H ALA 26 H ALA 26 0.529 8.135 -4.271
214 HA ALA 26 HA ALA 26 0.024 7.666 -7.067
215 HB1 ALA 26 2HB ALA 26 2.020 5.981 -6.569
216 HB2 ALA 26 3HB ALA 26 2.275 7.715 -6.763
217 HB3 ALA 26 1HB ALA 26 2.185 7.012 -5.148
218 H GLN 27 H GLN 27 -1.643 6.566 -4.635
219 HA GLN 27 HA GLN 27 -2.636 4.584 -4.001
220 HB2 GLN 27 2HB GLN 27 -3.792 3.511 -5.972
221 HB3 GLN 27 3HB GLN 27 -4.074 5.235 -5.779
222 HG2 GLN 27 2HG GLN 27 -2.350 5.670 -7.494
223 HG3 GLN 27 3HG GLN 27 -2.191 3.930 -7.730
224 HE21 GLN 27 1HE2 GLN 27 -4.876 6.237 -7.436
225 HE22 GLN 27 2HE2 GLN 27 -5.720 5.692 -8.842
226 H ILE 28 H ILE 28 -0.069 4.054 -3.729
227 HA ILE 28 HA ILE 28 0.174 1.325 -4.770
228 HB ILE 28 HB ILE 28 2.634 1.677 -5.076
229 HG12 ILE 28 2HG1 ILE 28 1.968 4.620 -5.112
230 HG13 ILE 28 3HG1 ILE 28 2.620 3.819 -3.687
231 HG21 ILE 28 1HG2 ILE 28 1.827 1.617 -7.161
232 HG22 ILE 28 2HG2 ILE 28 0.475 2.676 -6.767
233 HG23 ILE 28 3HG2 ILE 28 2.052 3.365 -7.150
234 HD11 ILE 28 2HD1 ILE 28 4.467 3.033 -5.372
235 HD12 ILE 28 3HD1 ILE 28 3.923 4.442 -6.282
236 HD13 ILE 28 1HD1 ILE 28 4.526 4.634 -4.636
237 H CYS 29 H CYS 29 2.036 0.163 -3.606
238 HA CYS 29 HA CYS 29 1.659 0.599 -0.755
239 HB2 CYS 29 2HB CYS 29 3.272 -1.624 -1.987
240 HB3 CYS 29 3HB CYS 29 2.434 -1.603 -0.439
241 H VAL 30 H VAL 30 3.041 1.761 0.391
242 HA VAL 30 HA VAL 30 5.901 1.600 -0.195
243 HB VAL 30 HB VAL 30 6.133 4.072 0.067
244 HG11 VAL 30 2HG1 VAL 30 4.549 3.015 -2.267
245 HG12 VAL 30 3HG1 VAL 30 5.302 4.610 -2.235
246 HG13 VAL 30 1HG1 VAL 30 6.303 3.162 -2.129
247 HG21 VAL 30 1HG2 VAL 30 4.062 5.415 -0.442
248 HG22 VAL 30 2HG2 VAL 30 3.130 3.953 -0.119
249 HG23 VAL 30 3HG2 VAL 30 4.111 4.672 1.157
250 H ASP 31 H ASP 31 6.980 1.228 1.618
251 HA ASP 31 HA ASP 31 5.883 0.978 4.127
252 HB2 ASP 31 2HB ASP 31 8.455 0.759 2.997
253 HB3 ASP 31 3HB ASP 31 8.621 1.838 4.379
254 HA PRO 32 HA PRO 32 5.243 5.032 5.697
255 HB2 PRO 32 2HB PRO 32 5.468 4.542 8.358
256 HB3 PRO 32 3HB PRO 32 4.070 4.033 7.402
257 HG2 PRO 32 2HG PRO 32 6.447 2.438 8.277
258 HG3 PRO 32 3HG PRO 32 4.734 1.982 8.273
259 HD2 PRO 32 2HD PRO 32 6.462 1.174 6.351
260 HD3 PRO 32 3HD PRO 32 4.744 1.480 6.023
261 H ASN 33 H ASN 33 7.995 3.244 7.064
262 HA ASN 33 HA ASN 33 9.353 5.492 8.092
263 HB2 ASN 33 2HB ASN 33 10.697 2.967 7.132
264 HB3 ASN 33 3HB ASN 33 11.203 4.043 8.431
265 HD21 ASN 33 1HD2 ASN 33 8.923 4.378 9.853
266 HD22 ASN 33 2HD2 ASN 33 8.408 2.870 10.522
267 H LYS 34 H LYS 34 8.972 4.302 4.902
268 HA LYS 34 HA LYS 34 11.289 5.067 3.614
269 HB2 LYS 34 2HB LYS 34 9.062 3.984 2.730
270 HB3 LYS 34 3HB LYS 34 8.644 5.647 2.339
271 HG2 LYS 34 2HG LYS 34 10.826 5.772 1.080
272 HG3 LYS 34 3HG LYS 34 10.943 4.024 1.290
273 HD2 LYS 34 2HD LYS 34 9.160 3.602 -0.104
274 HD3 LYS 34 3HD LYS 34 8.431 5.185 0.175
275 HE2 LYS 34 2HE LYS 34 9.304 5.068 -2.077
276 HE3 LYS 34 3HE LYS 34 10.245 6.220 -1.131
277 HZ1 LYS 34 2HZ LYS 34 11.998 5.094 -1.886
278 HZ2 LYS 34 3HZ LYS 34 11.073 3.765 -2.377
279 HZ3 LYS 34 1HZ LYS 34 11.581 3.895 -0.768
280 H GLY 35 H GLY 35 8.392 7.071 4.180
281 HA2 GLY 35 2HA GLY 35 8.685 9.357 4.958
282 HA3 GLY 35 3HA GLY 35 10.141 9.441 3.976
283 H TRP 36 H TRP 36 7.021 8.114 2.995
284 HA TRP 36 HA TRP 36 7.027 9.760 0.637
285 HB2 TRP 36 2HB TRP 36 4.937 8.569 0.081
286 HB3 TRP 36 3HB TRP 36 6.236 7.458 0.507
287 HD1 TRP 36 1HD TRP 36 5.975 6.069 2.773
288 HE1 TRP 36 1HE TRP 36 3.933 5.549 4.251
289 HE3 TRP 36 3HE TRP 36 2.730 9.562 0.929
290 HZ2 TRP 36 2HZ TRP 36 1.294 6.494 4.588
291 HZ3 TRP 36 3HZ TRP 36 0.466 9.689 1.884
292 HH2 TRP 36 2HH TRP 36 -0.236 8.185 3.675
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