Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
639841 | 6qkq RC | 34359 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H MET 65 1HT MET 65 10.957 -4.225 4.737
2 HA MET 65 HA MET 65 13.883 -4.404 4.548
3 HB2 MET 65 2HB MET 65 13.033 -2.172 4.002
4 HB3 MET 65 1HB MET 65 11.993 -2.189 5.409
5 HG2 MET 65 2HG MET 65 14.030 -2.245 6.832
6 HG3 MET 65 1HG MET 65 14.998 -2.095 5.366
7 HE1 MET 65 1HE MET 65 13.280 -0.081 3.580
8 HE2 MET 65 2HE MET 65 15.025 0.049 3.807
9 HE3 MET 65 3HE MET 65 13.997 1.457 4.059
10 H SER 66 H SER 66 14.858 -4.747 6.585
11 HA SER 66 HA SER 66 15.122 -5.133 8.789
12 HB2 SER 66 2HB SER 66 12.203 -4.482 9.212
13 HB3 SER 66 1HB SER 66 13.501 -4.407 10.402
14 HG SER 66 HG SER 66 12.625 -2.539 8.783
15 H GLY 67 H GLY 67 12.073 -6.437 7.595
16 HA2 GLY 67 2HA GLY 67 11.613 -8.778 7.464
17 HA3 GLY 67 1HA GLY 67 12.745 -9.032 8.798
18 H SER 68 H SER 68 10.094 -6.755 8.349
19 HA SER 68 HA SER 68 9.338 -6.821 11.036
20 HB2 SER 68 2HB SER 68 7.387 -5.477 10.085
21 HB3 SER 68 1HB SER 68 9.003 -4.824 9.809
22 HG SER 68 HG SER 68 8.018 -4.743 7.834
23 H GLY 69 H GLY 69 7.693 -7.857 12.059
24 HA2 GLY 69 2HA GLY 69 6.514 -10.160 10.821
25 HA3 GLY 69 1HA GLY 69 6.219 -9.580 12.465
26 H ARG 70 H ARG 70 5.348 -9.319 9.140
27 HA ARG 70 HA ARG 70 3.694 -8.426 7.994
28 HB2 ARG 70 2HB ARG 70 2.134 -8.470 10.602
29 HB3 ARG 70 1HB ARG 70 1.444 -7.980 9.071
30 HG2 ARG 70 2HG ARG 70 0.747 -10.205 9.453
31 HG3 ARG 70 1HG ARG 70 1.994 -10.283 8.212
32 HD2 ARG 70 2HD ARG 70 3.635 -10.890 9.930
33 HD3 ARG 70 1HD ARG 70 2.364 -10.831 11.148
34 HE ARG 70 HE ARG 70 1.942 -12.611 8.907
35 HH11 ARG 70 1HH1 ARG 70 2.820 -12.264 12.347
36 HH12 ARG 70 2HH1 ARG 70 2.802 -13.935 12.624
37 HH21 ARG 70 1HH2 ARG 70 1.907 -14.918 9.368
38 HH22 ARG 70 2HH2 ARG 70 2.271 -15.435 10.956
39 H GLY 71 H GLY 71 5.253 -6.739 7.843
40 HA2 GLY 71 2HA GLY 71 4.926 -4.320 9.274
41 HA3 GLY 71 1HA GLY 71 5.756 -4.509 7.726
42 H ARG 72 H ARG 72 3.671 -5.652 6.324
43 HA ARG 72 HA ARG 72 1.877 -5.260 5.060
44 HB2 ARG 72 2HB ARG 72 0.935 -3.563 7.387
45 HB3 ARG 72 1HB ARG 72 -0.061 -4.015 6.011
46 HG2 ARG 72 2HG ARG 72 1.192 -5.955 7.954
47 HG3 ARG 72 1HG ARG 72 -0.484 -5.410 7.997
48 HD2 ARG 72 2HD ARG 72 0.814 -6.921 5.715
49 HD3 ARG 72 1HD ARG 72 -0.264 -7.616 6.921
50 HE ARG 72 HE ARG 72 -1.649 -5.515 5.855
51 HH11 ARG 72 1HH1 ARG 72 -0.281 -8.505 4.487
52 HH12 ARG 72 2HH1 ARG 72 -1.477 -8.601 3.265
53 HH21 ARG 72 1HH2 ARG 72 -3.190 -5.682 4.210
54 HH22 ARG 72 2HH2 ARG 72 -3.161 -6.968 3.084
55 H GLY 73 H GLY 73 0.405 -3.252 4.250
56 HA2 GLY 73 2HA GLY 73 1.388 -0.748 3.972
57 HA3 GLY 73 1HA GLY 73 2.285 -1.704 2.793
58 H ALA 74 H ALA 74 -0.902 -0.684 3.804
59 HA ALA 74 HA ALA 74 -1.781 -0.987 1.054
60 HB1 ALA 74 1HB ALA 74 -3.386 -1.783 3.489
61 HB2 ALA 74 2HB ALA 74 -2.683 -2.895 2.318
62 HB3 ALA 74 3HB ALA 74 -3.968 -1.793 1.823
63 H ILE 75 H ILE 75 -2.280 0.934 0.377
64 HA ILE 75 HA ILE 75 -3.334 2.910 2.265
65 HB ILE 75 HB ILE 75 -1.795 3.309 -0.322
66 HG12 ILE 75 2HG1 ILE 75 -0.455 2.470 1.496
67 HG13 ILE 75 1HG1 ILE 75 0.050 4.100 1.002
68 HG21 ILE 75 1HG2 ILE 75 -1.727 5.680 0.222
69 HG22 ILE 75 2HG2 ILE 75 -2.721 5.387 1.647
70 HG23 ILE 75 3HG2 ILE 75 -3.387 5.103 0.035
71 HD11 ILE 75 1HD1 ILE 75 -1.513 3.298 3.455
72 HD12 ILE 75 2HD1 ILE 75 -1.151 4.964 2.998
73 HD13 ILE 75 3HD1 ILE 75 0.159 3.857 3.413
74 H ASP 76 H ASP 76 -5.149 3.967 1.520
75 HA ASP 76 HA ASP 76 -6.392 2.690 -0.732
76 HB2 ASP 76 2HB ASP 76 -7.576 4.381 1.411
77 HB3 ASP 76 1HB ASP 76 -8.402 4.287 -0.142
78 H ARG 77 H ARG 77 -4.915 3.304 -1.979
79 HA ARG 77 HA ARG 77 -5.650 4.947 -4.010
80 HB2 ARG 77 2HB ARG 77 -3.701 6.188 -2.120
81 HB3 ARG 77 1HB ARG 77 -3.239 6.190 -3.819
82 HG2 ARG 77 2HG ARG 77 -5.267 7.268 -4.406
83 HG3 ARG 77 1HG ARG 77 -5.811 7.297 -2.721
84 HD2 ARG 77 2HD ARG 77 -3.415 8.710 -3.909
85 HD3 ARG 77 1HD ARG 77 -4.899 9.474 -3.345
86 HE ARG 77 HE ARG 77 -2.779 8.310 -1.700
87 HH11 ARG 77 1HH1 ARG 77 -5.859 10.074 -1.824
88 HH12 ARG 77 2HH1 ARG 77 -5.699 10.734 -0.270
89 HH21 ARG 77 1HH2 ARG 77 -2.534 9.245 0.386
90 HH22 ARG 77 2HH2 ARG 77 -3.743 10.265 1.029
91 H GLU 78 H GLU 78 -4.195 4.537 -5.748
92 HA GLU 78 HA GLU 78 -3.231 1.903 -5.392
93 HB2 GLU 78 2HB GLU 78 -4.463 2.684 -7.359
94 HB3 GLU 78 1HB GLU 78 -3.083 3.671 -7.801
95 HG2 GLU 78 2HG GLU 78 -3.201 1.460 -9.013
96 HG3 GLU 78 1HG GLU 78 -1.692 1.746 -8.142
97 H GLN 79 H GLN 79 -1.372 1.372 -4.671
98 HA GLN 79 HA GLN 79 0.907 3.197 -5.012
99 HB2 GLN 79 2HB GLN 79 0.457 1.102 -2.887
100 HB3 GLN 79 1HB GLN 79 1.867 2.135 -3.021
101 HG2 GLN 79 2HG GLN 79 -0.947 3.050 -2.489
102 HG3 GLN 79 1HG GLN 79 0.343 2.920 -1.297
103 HE21 GLN 79 1HE2 GLN 79 -1.223 5.197 -2.153
104 HE22 GLN 79 2HE2 GLN 79 -0.090 6.394 -2.668
105 H SER 80 H SER 80 -0.332 0.127 -5.889
106 HA SER 80 HA SER 80 1.915 -1.519 -5.671
107 HB2 SER 80 2HB SER 80 -0.219 -1.777 -7.785
108 HB3 SER 80 1HB SER 80 0.741 -3.063 -7.049
109 HG SER 80 HG SER 80 -1.260 -1.452 -5.897
110 H ALA 81 H ALA 81 0.867 0.436 -8.434
111 HA ALA 81 HA ALA 81 2.889 -0.370 -10.221
112 HB1 ALA 81 1HB ALA 81 0.894 0.841 -10.974
113 HB2 ALA 81 2HB ALA 81 2.357 1.690 -11.464
114 HB3 ALA 81 3HB ALA 81 1.421 2.268 -10.087
115 H ALA 82 H ALA 82 2.728 2.172 -7.830
116 HA ALA 82 HA ALA 82 5.175 3.420 -8.508
117 HB1 ALA 82 1HB ALA 82 3.606 3.569 -5.937
118 HB2 ALA 82 2HB ALA 82 3.374 4.608 -7.342
119 HB3 ALA 82 3HB ALA 82 4.887 4.671 -6.437
120 H ILE 83 H ILE 83 4.248 0.928 -6.199
121 HA ILE 83 HA ILE 83 6.698 0.713 -4.852
122 HB ILE 83 HB ILE 83 4.761 -1.551 -5.494
123 HG12 ILE 83 2HG1 ILE 83 4.922 0.233 -3.050
124 HG13 ILE 83 1HG1 ILE 83 3.704 0.344 -4.309
125 HG21 ILE 83 1HG2 ILE 83 5.736 -2.662 -3.521
126 HG22 ILE 83 2HG2 ILE 83 6.887 -1.336 -3.350
127 HG23 ILE 83 3HG2 ILE 83 6.947 -2.379 -4.772
128 HD11 ILE 83 1HD1 ILE 83 2.854 -0.773 -2.328
129 HD12 ILE 83 2HD1 ILE 83 4.128 -1.984 -2.461
130 HD13 ILE 83 3HD1 ILE 83 2.883 -1.878 -3.705
131 H ARG 84 H ARG 84 5.537 -0.812 -7.807
132 HA ARG 84 HA ARG 84 7.853 -2.369 -8.272
133 HB2 ARG 84 2HB ARG 84 5.847 -1.338 -10.279
134 HB3 ARG 84 1HB ARG 84 7.060 -2.567 -10.613
135 HG2 ARG 84 2HG ARG 84 6.020 -3.995 -8.881
136 HG3 ARG 84 1HG ARG 84 4.775 -2.768 -8.667
137 HD2 ARG 84 2HD ARG 84 5.357 -4.312 -11.193
138 HD3 ARG 84 1HD ARG 84 3.991 -4.552 -10.110
139 HE ARG 84 HE ARG 84 4.371 -1.988 -11.494
140 HH11 ARG 84 1HH1 ARG 84 2.365 -4.866 -10.880
141 HH12 ARG 84 2HH1 ARG 84 1.045 -4.284 -11.762
142 HH21 ARG 84 1HH2 ARG 84 2.548 -1.225 -12.739
143 HH22 ARG 84 2HH2 ARG 84 1.155 -2.172 -12.847
144 H GLU 85 H GLU 85 6.938 0.854 -9.372
145 HA GLU 85 HA GLU 85 9.261 1.207 -10.966
146 HB2 GLU 85 2HB GLU 85 7.336 3.234 -9.849
147 HB3 GLU 85 1HB GLU 85 8.638 3.629 -10.964
148 HG2 GLU 85 2HG GLU 85 7.692 2.125 -12.620
149 HG3 GLU 85 1HG GLU 85 6.392 1.717 -11.502
150 H TRP 86 H TRP 86 8.488 2.111 -7.655
151 HA TRP 86 HA TRP 86 10.879 3.462 -7.073
152 HB2 TRP 86 2HB TRP 86 8.982 3.648 -5.595
153 HB3 TRP 86 1HB TRP 86 8.930 1.913 -5.359
154 HD1 TRP 86 HD TRP 86 10.762 5.049 -4.146
155 HE1 TRP 86 1HE TRP 86 12.062 4.444 -2.008
156 HE3 TRP 86 3HE TRP 86 10.068 0.015 -4.206
157 HZ2 TRP 86 2HZ TRP 86 12.719 2.089 -0.548
158 HZ3 TRP 86 3HZ TRP 86 11.060 -1.351 -2.432
159 HH2 TRP 86 HH TRP 86 12.354 -0.330 -0.633
160 H ALA 87 H ALA 87 9.962 0.072 -6.898
161 HA ALA 87 HA ALA 87 12.319 -0.962 -5.820
162 HB1 ALA 87 1HB ALA 87 10.273 -2.261 -5.971
163 HB2 ALA 87 2HB ALA 87 11.561 -3.104 -6.841
164 HB3 ALA 87 3HB ALA 87 10.335 -2.189 -7.725
165 H ARG 88 H ARG 88 11.285 -0.581 -9.199
166 HA ARG 88 HA ARG 88 13.649 -1.466 -10.439
167 HB2 ARG 88 2HB ARG 88 11.568 0.516 -11.375
168 HB3 ARG 88 1HB ARG 88 12.866 -0.082 -12.396
169 HG2 ARG 88 2HG ARG 88 11.997 -2.323 -12.285
170 HG3 ARG 88 1HG ARG 88 10.792 -1.838 -11.086
171 HD2 ARG 88 2HD ARG 88 9.830 -2.035 -13.336
172 HD3 ARG 88 1HD ARG 88 9.721 -0.395 -12.708
173 HE ARG 88 HE ARG 88 11.911 -1.146 -14.499
174 HH11 ARG 88 1HH1 ARG 88 8.922 0.685 -14.015
175 HH12 ARG 88 2HH1 ARG 88 9.250 1.853 -15.204
176 HH21 ARG 88 1HH2 ARG 88 12.356 0.433 -16.213
177 HH22 ARG 88 2HH2 ARG 88 11.267 1.706 -16.460
178 H ARG 89 H ARG 89 12.653 1.733 -9.399
179 HA ARG 89 HA ARG 89 14.797 3.291 -10.242
180 HB2 ARG 89 2HB ARG 89 12.730 4.219 -9.384
181 HB3 ARG 89 1HB ARG 89 13.022 3.502 -7.814
182 HG2 ARG 89 2HG ARG 89 14.945 4.996 -7.509
183 HG3 ARG 89 1HG ARG 89 14.605 5.723 -9.083
184 HD2 ARG 89 2HD ARG 89 12.410 6.417 -8.320
185 HD3 ARG 89 1HD ARG 89 12.685 5.651 -6.759
186 HE ARG 89 HE ARG 89 14.747 7.380 -7.008
187 HH11 ARG 89 1HH1 ARG 89 11.211 7.764 -7.177
188 HH12 ARG 89 2HH1 ARG 89 11.217 9.345 -6.578
189 HH21 ARG 89 1HH2 ARG 89 14.744 9.602 -6.275
190 HH22 ARG 89 2HH2 ARG 89 13.263 10.434 -6.108
191 H ASN 90 H ASN 90 14.404 1.368 -7.316
192 HA ASN 90 HA ASN 90 17.021 2.135 -6.355
193 HB2 ASN 90 2HB ASN 90 14.875 0.392 -5.235
194 HB3 ASN 90 1HB ASN 90 16.488 0.336 -4.549
195 HD21 ASN 90 1HD2 ASN 90 13.601 2.137 -4.905
196 HD22 ASN 90 2HD2 ASN 90 13.980 3.386 -3.780
197 H GLY 91 H GLY 91 15.751 -0.306 -8.304
198 HA2 GLY 91 2HA GLY 91 17.041 -1.741 -9.610
199 HA3 GLY 91 1HA GLY 91 18.415 -1.446 -8.547
200 H HIS 92 H HIS 92 15.234 -2.326 -7.444
201 HA HIS 92 HA HIS 92 16.347 -4.600 -6.057
202 HB2 HIS 92 2HB HIS 92 13.494 -3.601 -6.174
203 HB3 HIS 92 1HB HIS 92 14.047 -4.920 -5.158
204 HD1 HIS 92 1HD HIS 92 16.719 -3.254 -4.239
205 HD2 HIS 92 2HD HIS 92 12.756 -2.036 -4.061
206 HE1 HIS 92 1HE HIS 92 16.602 -1.454 -2.474
207 H ASN 93 H ASN 93 15.164 -6.701 -6.139
208 HA ASN 93 HA ASN 93 14.941 -7.387 -8.928
209 HB2 ASN 93 2HB ASN 93 15.216 -9.138 -6.473
210 HB3 ASN 93 1HB ASN 93 15.024 -9.769 -8.107
211 HD21 ASN 93 1HD2 ASN 93 17.269 -9.978 -6.167
212 HD22 ASN 93 2HD2 ASN 93 18.648 -9.371 -7.006
213 H VAL 94 H VAL 94 13.067 -6.339 -9.215
214 HA VAL 94 HA VAL 94 10.670 -7.927 -8.712
215 HB VAL 94 HB VAL 94 10.780 -4.865 -8.619
216 HG11 VAL 94 1HG1 VAL 94 8.460 -6.726 -8.107
217 HG12 VAL 94 2HG1 VAL 94 8.674 -5.686 -9.515
218 HG13 VAL 94 3HG1 VAL 94 8.427 -4.973 -7.921
219 HG21 VAL 94 1HG2 VAL 94 11.746 -5.763 -6.573
220 HG22 VAL 94 2HG2 VAL 94 10.329 -6.783 -6.333
221 HG23 VAL 94 3HG2 VAL 94 10.177 -5.028 -6.241
222 H SER 95 H SER 95 9.197 -7.693 -10.567
223 HA SER 95 HA SER 95 8.621 -7.461 -12.726
224 HB2 SER 95 2HB SER 95 11.005 -5.597 -13.040
225 HB3 SER 95 1HB SER 95 9.762 -5.874 -14.258
226 HG SER 95 HG SER 95 8.242 -5.087 -12.659
227 H THR 96 H THR 96 12.020 -7.941 -12.110
228 HA THR 96 HA THR 96 12.308 -9.817 -14.253
229 HB THR 96 HB THR 96 14.588 -10.026 -13.148
230 HG1 THR 96 1HG THR 96 14.999 -8.570 -11.476
231 HG21 THR 96 1HG2 THR 96 15.273 -7.724 -13.770
232 HG22 THR 96 2HG2 THR 96 13.561 -7.265 -13.793
233 HG23 THR 96 3HG2 THR 96 14.169 -8.425 -14.962
234 H ARG 97 H ARG 97 11.098 -9.664 -11.175
235 HA ARG 97 HA ARG 97 11.152 -12.565 -10.754
236 HB2 ARG 97 2HB ARG 97 11.117 -10.351 -8.682
237 HB3 ARG 97 1HB ARG 97 10.999 -12.063 -8.329
238 HG2 ARG 97 2HG ARG 97 13.385 -10.753 -9.623
239 HG3 ARG 97 1HG ARG 97 13.234 -11.082 -7.898
240 HD2 ARG 97 2HD ARG 97 13.183 -13.140 -10.101
241 HD3 ARG 97 1HD ARG 97 14.557 -12.788 -9.054
242 HE ARG 97 HE ARG 97 11.983 -13.767 -8.040
243 HH11 ARG 97 1HH1 ARG 97 15.526 -14.037 -8.167
244 HH12 ARG 97 2HH1 ARG 97 15.611 -15.239 -6.974
245 HH21 ARG 97 1HH2 ARG 97 12.113 -15.413 -6.380
246 HH22 ARG 97 2HH2 ARG 97 13.633 -16.021 -5.916
247 H GLY 98 H GLY 98 9.146 -13.374 -10.055
248 HA2 GLY 98 2HA GLY 98 6.899 -11.880 -11.007
249 HA3 GLY 98 1HA GLY 98 6.870 -13.508 -10.335
250 H ARG 99 H ARG 99 5.023 -11.420 -9.822
251 HA ARG 99 HA ARG 99 3.852 -10.424 -8.164
252 HB2 ARG 99 2HB ARG 99 5.554 -12.197 -6.411
253 HB3 ARG 99 1HB ARG 99 4.309 -11.159 -5.763
254 HG2 ARG 99 2HG ARG 99 2.673 -12.391 -7.191
255 HG3 ARG 99 1HG ARG 99 3.981 -13.503 -7.604
256 HD2 ARG 99 2HD ARG 99 2.634 -14.371 -5.752
257 HD3 ARG 99 1HD ARG 99 4.299 -14.055 -5.263
258 HE ARG 99 HE ARG 99 2.356 -11.945 -4.759
259 HH11 ARG 99 1HH1 ARG 99 4.262 -14.607 -3.361
260 HH12 ARG 99 2HH1 ARG 99 3.974 -14.095 -1.749
261 HH21 ARG 99 1HH2 ARG 99 2.016 -11.293 -2.525
262 HH22 ARG 99 2HH2 ARG 99 2.717 -12.206 -1.277
263 H ILE 100 H ILE 100 4.292 -9.318 -5.847
264 HA ILE 100 HA ILE 100 6.719 -7.713 -6.101
265 HB ILE 100 HB ILE 100 4.084 -6.941 -4.789
266 HG12 ILE 100 2HG1 ILE 100 5.313 -5.853 -7.342
267 HG13 ILE 100 1HG1 ILE 100 3.930 -6.938 -7.273
268 HG21 ILE 100 1HG2 ILE 100 6.608 -5.343 -5.230
269 HG22 ILE 100 2HG2 ILE 100 6.039 -6.011 -3.701
270 HG23 ILE 100 3HG2 ILE 100 5.113 -4.736 -4.502
271 HD11 ILE 100 1HD1 ILE 100 3.238 -4.627 -7.646
272 HD12 ILE 100 2HD1 ILE 100 4.030 -4.138 -6.150
273 HD13 ILE 100 3HD1 ILE 100 2.641 -5.224 -6.099
274 HA PRO 101 HA PRO 101 7.560 -10.011 -2.263
275 HB2 PRO 101 2HB PRO 101 9.642 -7.926 -2.013
276 HB3 PRO 101 1HB PRO 101 9.827 -9.689 -2.003
277 HG2 PRO 101 2HG PRO 101 10.643 -8.307 -4.083
278 HG3 PRO 101 1HG PRO 101 9.833 -9.874 -4.284
279 HD2 PRO 101 2HD PRO 101 8.727 -7.140 -4.709
280 HD3 PRO 101 1HD PRO 101 8.483 -8.636 -5.641
281 H ALA 102 H ALA 102 6.520 -9.736 -0.495
282 HA ALA 102 HA ALA 102 5.226 -7.388 0.291
283 HB1 ALA 102 1HB ALA 102 4.521 -9.625 1.029
284 HB2 ALA 102 2HB ALA 102 4.763 -8.540 2.400
285 HB3 ALA 102 3HB ALA 102 5.984 -9.755 2.005
286 H ASP 103 H ASP 103 8.336 -8.703 1.085
287 HA ASP 103 HA ASP 103 9.017 -6.880 3.139
288 HB2 ASP 103 2HB ASP 103 10.273 -8.955 2.827
289 HB3 ASP 103 1HB ASP 103 10.794 -8.397 1.235
290 H VAL 104 H VAL 104 9.163 -6.758 -0.339
291 HA VAL 104 HA VAL 104 10.684 -4.337 -0.452
292 HB VAL 104 HB VAL 104 9.144 -5.921 -2.503
293 HG11 VAL 104 1HG1 VAL 104 10.376 -3.188 -2.992
294 HG12 VAL 104 2HG1 VAL 104 8.652 -3.588 -3.050
295 HG13 VAL 104 3HG1 VAL 104 9.755 -4.273 -4.245
296 HG21 VAL 104 1HG2 VAL 104 12.007 -4.999 -2.332
297 HG22 VAL 104 2HG2 VAL 104 11.339 -6.036 -3.590
298 HG23 VAL 104 3HG2 VAL 104 11.410 -6.604 -1.919
299 H ILE 105 H ILE 105 7.273 -5.133 -0.526
300 HA ILE 105 HA ILE 105 6.224 -2.545 -0.907
301 HB ILE 105 HB ILE 105 5.082 -4.848 0.712
302 HG12 ILE 105 2HG1 ILE 105 4.625 -4.034 -2.162
303 HG13 ILE 105 1HG1 ILE 105 5.596 -5.390 -1.634
304 HG21 ILE 105 1HG2 ILE 105 2.883 -3.784 0.352
305 HG22 ILE 105 2HG2 ILE 105 3.680 -2.401 -0.394
306 HG23 ILE 105 3HG2 ILE 105 3.964 -2.770 1.306
307 HD11 ILE 105 1HD1 ILE 105 2.616 -5.076 -1.238
308 HD12 ILE 105 2HD1 ILE 105 3.577 -6.448 -0.688
309 HD13 ILE 105 3HD1 ILE 105 3.405 -6.127 -2.413
310 H ASP 106 H ASP 106 7.043 -4.330 1.977
311 HA ASP 106 HA ASP 106 6.450 -2.379 3.925
312 HB2 ASP 106 2HB ASP 106 6.748 -4.609 4.656
313 HB3 ASP 106 1HB ASP 106 8.276 -4.770 3.806
314 H ALA 107 H ALA 107 9.331 -3.065 2.078
315 HA ALA 107 HA ALA 107 11.041 -1.183 3.285
316 HB1 ALA 107 1HB ALA 107 12.434 -1.466 1.295
317 HB2 ALA 107 2HB ALA 107 11.065 -2.236 0.473
318 HB3 ALA 107 3HB ALA 107 11.804 -3.025 1.856
319 H TYR 108 H TYR 108 8.935 -1.005 0.477
320 HA TYR 108 HA TYR 108 9.441 1.584 -0.398
321 HB2 TYR 108 2HB TYR 108 8.189 0.049 -1.736
322 HB3 TYR 108 1HB TYR 108 6.986 -0.167 -0.481
323 HD1 TYR 108 1HD TYR 108 5.051 1.179 -0.449
324 HD2 TYR 108 2HD TYR 108 8.327 2.279 -2.918
325 HE1 TYR 108 1HE TYR 108 3.642 2.862 -1.547
326 HE2 TYR 108 2HE TYR 108 6.937 3.958 -4.025
327 HH TYR 108 HH TYR 108 3.677 4.671 -2.883
328 H HIS 109 H HIS 109 7.151 0.382 1.967
329 HA HIS 109 HA HIS 109 6.089 2.922 2.534
330 HB2 HIS 109 2HB HIS 109 5.798 0.239 3.782
331 HB3 HIS 109 1HB HIS 109 5.112 1.629 4.601
332 HD1 HIS 109 1HD HIS 109 3.106 2.833 3.347
333 HD2 HIS 109 2HD HIS 109 4.553 -0.568 1.480
334 HE1 HIS 109 1HE HIS 109 1.447 2.251 1.550
335 H ALA 110 H ALA 110 8.559 0.975 4.087
336 HA ALA 110 HA ALA 110 8.892 2.715 6.312
337 HB1 ALA 110 1HB ALA 110 9.573 0.365 6.368
338 HB2 ALA 110 2HB ALA 110 10.921 1.436 6.756
339 HB3 ALA 110 3HB ALA 110 10.814 0.697 5.163
340 H ALA 111 H ALA 111 10.333 2.548 3.129
341 HA ALA 111 HA ALA 111 12.503 4.280 3.660
342 HB1 ALA 111 1HB ALA 111 12.863 4.307 1.281
343 HB2 ALA 111 2HB ALA 111 11.260 3.626 1.003
344 HB3 ALA 111 3HB ALA 111 12.498 2.665 1.812
345 H ASP 112 H ASP 112 12.370 6.269 4.114
346 HA ASP 112 HA ASP 112 10.314 7.937 2.877
347 HB2 ASP 112 2HB ASP 112 10.166 8.053 5.278
348 HB3 ASP 112 1HB ASP 112 11.898 8.339 5.420
Start of MODEL 2
1 H MET 65 1HT MET 65 11.111 10.438 8.407
2 HA MET 65 HA MET 65 8.793 11.097 8.699
3 HB2 MET 65 2HB MET 65 10.033 12.250 6.184
4 HB3 MET 65 1HB MET 65 8.722 12.992 7.079
5 HG2 MET 65 2HG MET 65 10.214 13.327 8.982
6 HG3 MET 65 1HG MET 65 11.507 12.515 8.103
7 HE1 MET 65 1HE MET 65 8.851 15.069 6.608
8 HE2 MET 65 2HE MET 65 9.719 16.586 6.823
9 HE3 MET 65 3HE MET 65 9.171 15.680 8.232
10 H SER 66 H SER 66 6.801 11.678 7.394
11 HA SER 66 HA SER 66 5.041 11.138 6.232
12 HB2 SER 66 2HB SER 66 5.365 10.556 3.750
13 HB3 SER 66 1HB SER 66 6.038 12.074 4.324
14 HG SER 66 HG SER 66 7.881 10.148 4.596
15 H GLY 67 H GLY 67 7.114 8.385 5.238
16 HA2 GLY 67 2HA GLY 67 4.791 6.674 5.211
17 HA3 GLY 67 1HA GLY 67 6.440 6.223 4.804
18 H SER 68 H SER 68 5.373 4.354 6.090
19 HA SER 68 HA SER 68 6.586 4.261 8.670
20 HB2 SER 68 2HB SER 68 3.564 3.981 8.427
21 HB3 SER 68 1HB SER 68 4.503 3.627 9.876
22 HG SER 68 HG SER 68 5.141 6.053 9.033
23 H GLY 69 H GLY 69 6.844 2.042 9.308
24 HA2 GLY 69 2HA GLY 69 6.750 0.266 7.023
25 HA3 GLY 69 1HA GLY 69 7.545 -0.029 8.564
26 H ARG 70 H ARG 70 6.127 -1.999 7.344
27 HA ARG 70 HA ARG 70 3.544 -2.181 8.744
28 HB2 ARG 70 2HB ARG 70 4.762 -3.772 6.470
29 HB3 ARG 70 1HB ARG 70 3.247 -4.185 7.246
30 HG2 ARG 70 2HG ARG 70 3.610 -1.488 5.997
31 HG3 ARG 70 1HG ARG 70 3.244 -2.884 4.993
32 HD2 ARG 70 2HD ARG 70 1.188 -1.732 5.544
33 HD3 ARG 70 1HD ARG 70 1.214 -3.294 6.350
34 HE ARG 70 HE ARG 70 2.059 -0.924 7.806
35 HH11 ARG 70 1HH1 ARG 70 -0.484 -3.362 7.252
36 HH12 ARG 70 2HH1 ARG 70 -1.270 -3.081 8.726
37 HH21 ARG 70 1HH2 ARG 70 0.921 -0.547 9.839
38 HH22 ARG 70 2HH2 ARG 70 -0.435 -1.460 10.255
39 H GLY 71 H GLY 71 6.538 -3.945 8.000
40 HA2 GLY 71 2HA GLY 71 7.911 -4.999 9.494
41 HA3 GLY 71 1HA GLY 71 6.631 -4.957 10.707
42 H ARG 72 H ARG 72 4.699 -6.227 10.065
43 HA ARG 72 HA ARG 72 5.461 -8.653 8.715
44 HB2 ARG 72 2HB ARG 72 4.343 -8.467 11.518
45 HB3 ARG 72 1HB ARG 72 4.296 -9.952 10.586
46 HG2 ARG 72 2HG ARG 72 6.876 -8.521 11.179
47 HG3 ARG 72 1HG ARG 72 6.166 -9.683 12.298
48 HD2 ARG 72 2HD ARG 72 6.815 -10.289 9.419
49 HD3 ARG 72 1HD ARG 72 7.892 -10.645 10.772
50 HE ARG 72 HE ARG 72 5.500 -11.777 11.435
51 HH11 ARG 72 1HH1 ARG 72 7.759 -12.194 8.733
52 HH12 ARG 72 2HH1 ARG 72 7.398 -13.824 8.471
53 HH21 ARG 72 1HH2 ARG 72 5.003 -14.059 11.089
54 HH22 ARG 72 2HH2 ARG 72 5.751 -14.912 9.844
55 H GLY 73 H GLY 73 3.387 -10.032 8.397
56 HA2 GLY 73 2HA GLY 73 1.016 -10.103 8.410
57 HA3 GLY 73 1HA GLY 73 1.017 -8.342 8.358
58 H ALA 74 H ALA 74 -0.345 -8.365 6.573
59 HA ALA 74 HA ALA 74 0.929 -9.178 4.079
60 HB1 ALA 74 1HB ALA 74 -1.348 -9.527 3.199
61 HB2 ALA 74 2HB ALA 74 -2.005 -9.165 4.797
62 HB3 ALA 74 3HB ALA 74 -1.007 -10.600 4.559
63 H ILE 75 H ILE 75 0.741 -7.639 2.418
64 HA ILE 75 HA ILE 75 -0.313 -5.076 3.295
65 HB ILE 75 HB ILE 75 2.165 -5.381 1.594
66 HG12 ILE 75 2HG1 ILE 75 2.154 -4.829 4.572
67 HG13 ILE 75 1HG1 ILE 75 2.439 -6.432 3.906
68 HG21 ILE 75 1HG2 ILE 75 2.510 -3.045 2.319
69 HG22 ILE 75 2HG2 ILE 75 1.017 -3.153 3.263
70 HG23 ILE 75 3HG2 ILE 75 0.957 -3.283 1.503
71 HD11 ILE 75 1HD1 ILE 75 4.414 -5.602 2.748
72 HD12 ILE 75 2HD1 ILE 75 4.521 -5.314 4.487
73 HD13 ILE 75 3HD1 ILE 75 4.127 -3.987 3.391
74 H ASP 76 H ASP 76 -1.768 -4.383 1.761
75 HA ASP 76 HA ASP 76 -1.269 -4.868 -1.058
76 HB2 ASP 76 2HB ASP 76 -2.642 -6.801 -0.450
77 HB3 ASP 76 1HB ASP 76 -3.830 -5.743 0.306
78 H ARG 77 H ARG 77 -1.874 -3.146 -2.269
79 HA ARG 77 HA ARG 77 -4.013 -1.453 -1.657
80 HB2 ARG 77 2HB ARG 77 -2.401 -0.640 0.109
81 HB3 ARG 77 1HB ARG 77 -1.239 -0.344 -1.175
82 HG2 ARG 77 2HG ARG 77 -2.347 1.695 -0.262
83 HG3 ARG 77 1HG ARG 77 -2.468 1.492 -2.003
84 HD2 ARG 77 2HD ARG 77 -4.554 2.298 -0.966
85 HD3 ARG 77 1HD ARG 77 -4.779 0.778 -1.800
86 HE ARG 77 HE ARG 77 -4.269 0.193 0.858
87 HH11 ARG 77 1HH1 ARG 77 -6.741 1.978 -0.993
88 HH12 ARG 77 2HH1 ARG 77 -8.003 1.570 0.061
89 HH21 ARG 77 1HH2 ARG 77 -6.041 -0.366 2.283
90 HH22 ARG 77 2HH2 ARG 77 -7.605 0.206 1.957
91 H GLU 78 H GLU 78 -4.171 0.199 -3.241
92 HA GLU 78 HA GLU 78 -3.754 -0.334 -5.830
93 HB2 GLU 78 2HB GLU 78 -5.222 1.318 -4.704
94 HB3 GLU 78 1HB GLU 78 -3.810 2.324 -4.497
95 HG2 GLU 78 2HG GLU 78 -3.601 2.691 -6.821
96 HG3 GLU 78 1HG GLU 78 -4.782 1.433 -7.195
97 H GLN 79 H GLN 79 -1.571 1.457 -3.640
98 HA GLN 79 HA GLN 79 0.375 1.893 -5.679
99 HB2 GLN 79 2HB GLN 79 0.745 1.908 -2.661
100 HB3 GLN 79 1HB GLN 79 1.989 2.351 -3.811
101 HG2 GLN 79 2HG GLN 79 1.169 4.377 -3.002
102 HG3 GLN 79 1HG GLN 79 0.395 4.185 -4.571
103 HE21 GLN 79 1HE2 GLN 79 -0.027 4.111 -1.145
104 HE22 GLN 79 2HE2 GLN 79 -1.745 4.237 -1.149
105 H SER 80 H SER 80 0.702 0.018 -6.642
106 HA SER 80 HA SER 80 2.332 -1.867 -5.178
107 HB2 SER 80 2HB SER 80 0.978 -3.616 -6.764
108 HB3 SER 80 1HB SER 80 0.521 -3.254 -5.096
109 HG SER 80 HG SER 80 -1.120 -2.172 -5.737
110 H ALA 81 H ALA 81 1.213 -0.809 -8.405
111 HA ALA 81 HA ALA 81 3.513 -1.815 -9.729
112 HB1 ALA 81 1HB ALA 81 2.801 -0.350 -11.589
113 HB2 ALA 81 2HB ALA 81 1.634 0.433 -10.526
114 HB3 ALA 81 3HB ALA 81 1.436 -1.267 -10.952
115 H ALA 82 H ALA 82 2.632 1.096 -8.093
116 HA ALA 82 HA ALA 82 4.756 2.796 -8.684
117 HB1 ALA 82 1HB ALA 82 2.730 3.493 -7.500
118 HB2 ALA 82 2HB ALA 82 4.181 3.915 -6.585
119 HB3 ALA 82 3HB ALA 82 3.213 2.524 -6.107
120 H ILE 83 H ILE 83 4.427 0.212 -6.340
121 HA ILE 83 HA ILE 83 6.837 0.617 -4.914
122 HB ILE 83 HB ILE 83 5.372 -1.995 -5.401
123 HG12 ILE 83 2HG1 ILE 83 5.043 0.049 -3.196
124 HG13 ILE 83 1HG1 ILE 83 3.881 -0.294 -4.469
125 HG21 ILE 83 1HG2 ILE 83 7.299 -1.196 -3.210
126 HG22 ILE 83 2HG2 ILE 83 7.633 -2.319 -4.531
127 HG23 ILE 83 3HG2 ILE 83 6.437 -2.734 -3.309
128 HD11 ILE 83 1HD1 ILE 83 4.760 -2.153 -2.303
129 HD12 ILE 83 2HD1 ILE 83 3.597 -2.555 -3.570
130 HD13 ILE 83 3HD1 ILE 83 3.217 -1.306 -2.378
131 H ARG 84 H ARG 84 5.951 -1.235 -7.732
132 HA ARG 84 HA ARG 84 8.405 -2.547 -8.131
133 HB2 ARG 84 2HB ARG 84 6.268 -1.817 -10.144
134 HB3 ARG 84 1HB ARG 84 7.577 -2.952 -10.445
135 HG2 ARG 84 2HG ARG 84 6.732 -4.410 -8.672
136 HG3 ARG 84 1HG ARG 84 5.445 -3.259 -8.341
137 HD2 ARG 84 2HD ARG 84 4.588 -5.084 -9.663
138 HD3 ARG 84 1HD ARG 84 4.571 -3.603 -10.614
139 HE ARG 84 HE ARG 84 6.877 -4.667 -11.384
140 HH11 ARG 84 1HH1 ARG 84 3.738 -6.336 -10.917
141 HH12 ARG 84 2HH1 ARG 84 3.934 -7.308 -12.282
142 HH21 ARG 84 1HH2 ARG 84 7.092 -6.112 -13.245
143 HH22 ARG 84 2HH2 ARG 84 5.842 -7.209 -13.589
144 H GLU 85 H GLU 85 7.139 0.494 -9.299
145 HA GLU 85 HA GLU 85 9.316 1.228 -10.958
146 HB2 GLU 85 2HB GLU 85 7.455 3.027 -9.417
147 HB3 GLU 85 1HB GLU 85 8.497 3.529 -10.735
148 HG2 GLU 85 2HG GLU 85 7.228 1.992 -12.219
149 HG3 GLU 85 1HG GLU 85 6.121 1.706 -10.871
150 H TRP 86 H TRP 86 8.546 1.966 -7.609
151 HA TRP 86 HA TRP 86 10.770 3.521 -6.938
152 HB2 TRP 86 2HB TRP 86 8.811 3.391 -5.531
153 HB3 TRP 86 1HB TRP 86 9.035 1.668 -5.300
154 HD1 TRP 86 HD TRP 86 10.341 5.042 -4.096
155 HE1 TRP 86 1HE TRP 86 11.674 4.676 -1.928
156 HE3 TRP 86 3HE TRP 86 10.396 -0.037 -4.070
157 HZ2 TRP 86 2HZ TRP 86 12.624 2.477 -0.402
158 HZ3 TRP 86 3HZ TRP 86 11.531 -1.204 -2.253
159 HH2 TRP 86 HH TRP 86 12.620 0.027 -0.440
160 H ALA 87 H ALA 87 10.244 0.046 -6.770
161 HA ALA 87 HA ALA 87 12.698 -0.717 -5.688
162 HB1 ALA 87 1HB ALA 87 10.787 -2.215 -5.792
163 HB2 ALA 87 2HB ALA 87 12.144 -2.959 -6.654
164 HB3 ALA 87 3HB ALA 87 10.832 -2.183 -7.545
165 H ARG 88 H ARG 88 11.660 -0.295 -9.025
166 HA ARG 88 HA ARG 88 14.105 -1.082 -10.210
167 HB2 ARG 88 2HB ARG 88 11.790 0.545 -11.243
168 HB3 ARG 88 1HB ARG 88 13.175 0.119 -12.241
169 HG2 ARG 88 2HG ARG 88 11.480 -1.915 -10.821
170 HG3 ARG 88 1HG ARG 88 11.168 -1.376 -12.471
171 HD2 ARG 88 2HD ARG 88 13.795 -2.554 -11.549
172 HD3 ARG 88 1HD ARG 88 12.507 -3.491 -12.298
173 HE ARG 88 HE ARG 88 12.729 -1.759 -14.134
174 HH11 ARG 88 1HH1 ARG 88 15.533 -2.974 -12.279
175 HH12 ARG 88 2HH1 ARG 88 16.608 -2.813 -13.577
176 HH21 ARG 88 1HH2 ARG 88 14.258 -1.563 -15.877
177 HH22 ARG 88 2HH2 ARG 88 15.885 -2.013 -15.647
178 H ARG 89 H ARG 89 12.880 2.048 -9.171
179 HA ARG 89 HA ARG 89 14.987 3.607 -10.205
180 HB2 ARG 89 2HB ARG 89 13.188 4.054 -7.837
181 HB3 ARG 89 1HB ARG 89 14.392 5.227 -8.346
182 HG2 ARG 89 2HG ARG 89 13.303 5.390 -10.520
183 HG3 ARG 89 1HG ARG 89 12.098 4.217 -9.994
184 HD2 ARG 89 2HD ARG 89 11.318 5.694 -8.272
185 HD3 ARG 89 1HD ARG 89 12.624 6.830 -8.600
186 HE ARG 89 HE ARG 89 11.634 7.381 -10.644
187 HH11 ARG 89 1HH1 ARG 89 9.570 5.395 -8.592
188 HH12 ARG 89 2HH1 ARG 89 8.119 5.829 -9.372
189 HH21 ARG 89 1HH2 ARG 89 9.695 7.997 -11.693
190 HH22 ARG 89 2HH2 ARG 89 8.179 7.360 -11.223
191 H ASN 90 H ASN 90 14.583 2.069 -7.061
192 HA ASN 90 HA ASN 90 17.118 2.946 -6.103
193 HB2 ASN 90 2HB ASN 90 15.180 0.889 -5.158
194 HB3 ASN 90 1HB ASN 90 16.738 1.007 -4.385
195 HD21 ASN 90 1HD2 ASN 90 13.622 2.296 -4.706
196 HD22 ASN 90 2HD2 ASN 90 13.776 3.567 -3.562
197 H GLY 91 H GLY 91 16.004 0.195 -7.847
198 HA2 GLY 91 2HA GLY 91 17.409 -1.087 -9.215
199 HA3 GLY 91 1HA GLY 91 18.777 -0.636 -8.207
200 H HIS 92 H HIS 92 15.952 -1.479 -6.514
201 HA HIS 92 HA HIS 92 17.155 -3.827 -5.323
202 HB2 HIS 92 2HB HIS 92 14.219 -3.072 -5.269
203 HB3 HIS 92 1HB HIS 92 15.028 -4.179 -4.196
204 HD1 HIS 92 1HD HIS 92 17.145 -2.609 -2.836
205 HD2 HIS 92 2HD HIS 92 13.545 -0.913 -3.984
206 HE1 HIS 92 1HE HIS 92 16.774 -0.592 -1.372
207 H ASN 93 H ASN 93 14.851 -2.957 -7.692
208 HA ASN 93 HA ASN 93 13.688 -3.947 -9.290
209 HB2 ASN 93 2HB ASN 93 15.541 -6.310 -8.840
210 HB3 ASN 93 1HB ASN 93 14.361 -6.221 -10.148
211 HD21 ASN 93 1HD2 ASN 93 17.284 -6.391 -10.211
212 HD22 ASN 93 2HD2 ASN 93 17.824 -5.036 -11.120
213 H VAL 94 H VAL 94 12.351 -6.183 -9.615
214 HA VAL 94 HA VAL 94 11.076 -6.372 -7.001
215 HB VAL 94 HB VAL 94 9.736 -6.608 -9.705
216 HG11 VAL 94 1HG1 VAL 94 8.545 -6.312 -6.959
217 HG12 VAL 94 2HG1 VAL 94 8.558 -7.785 -7.931
218 HG13 VAL 94 3HG1 VAL 94 7.647 -6.375 -8.477
219 HG21 VAL 94 1HG2 VAL 94 9.785 -4.278 -7.818
220 HG22 VAL 94 2HG2 VAL 94 8.815 -4.394 -9.290
221 HG23 VAL 94 3HG2 VAL 94 10.573 -4.369 -9.393
222 H SER 95 H SER 95 10.328 -8.297 -9.824
223 HA SER 95 HA SER 95 11.959 -10.507 -9.424
224 HB2 SER 95 2HB SER 95 9.087 -10.828 -8.409
225 HB3 SER 95 1HB SER 95 10.175 -12.170 -8.749
226 HG SER 95 HG SER 95 11.012 -10.185 -7.008
227 H THR 96 H THR 96 12.162 -10.785 -11.560
228 HA THR 96 HA THR 96 10.212 -9.972 -13.373
229 HB THR 96 HB THR 96 11.780 -11.347 -14.983
230 HG1 THR 96 1HG THR 96 13.235 -12.361 -13.822
231 HG21 THR 96 1HG2 THR 96 12.667 -8.854 -13.516
232 HG22 THR 96 2HG2 THR 96 11.590 -8.901 -14.910
233 HG23 THR 96 3HG2 THR 96 13.272 -9.397 -15.080
234 H ARG 97 H ARG 97 8.444 -10.911 -12.844
235 HA ARG 97 HA ARG 97 7.508 -13.334 -14.043
236 HB2 ARG 97 2HB ARG 97 7.621 -13.198 -10.991
237 HB3 ARG 97 1HB ARG 97 6.633 -14.327 -11.885
238 HG2 ARG 97 2HG ARG 97 9.640 -14.251 -11.884
239 HG3 ARG 97 1HG ARG 97 8.634 -15.337 -10.925
240 HD2 ARG 97 2HD ARG 97 7.709 -16.294 -12.953
241 HD3 ARG 97 1HD ARG 97 8.681 -15.203 -13.941
242 HE ARG 97 HE ARG 97 10.529 -16.454 -12.463
243 HH11 ARG 97 1HH1 ARG 97 7.845 -17.659 -14.387
244 HH12 ARG 97 2HH1 ARG 97 8.574 -19.134 -14.791
245 HH21 ARG 97 1HH2 ARG 97 11.593 -18.504 -13.038
246 HH22 ARG 97 2HH2 ARG 97 10.760 -19.614 -14.017
247 H GLY 98 H GLY 98 7.294 -10.725 -11.730
248 HA2 GLY 98 2HA GLY 98 5.566 -9.047 -11.916
249 HA3 GLY 98 1HA GLY 98 4.450 -10.335 -12.380
250 H ARG 99 H ARG 99 6.832 -10.736 -9.910
251 HA ARG 99 HA ARG 99 4.701 -11.132 -7.923
252 HB2 ARG 99 2HB ARG 99 6.286 -13.011 -8.763
253 HB3 ARG 99 1HB ARG 99 7.540 -12.169 -7.892
254 HG2 ARG 99 2HG ARG 99 5.052 -13.322 -6.656
255 HG3 ARG 99 1HG ARG 99 6.612 -14.115 -6.720
256 HD2 ARG 99 2HD ARG 99 7.531 -12.219 -5.373
257 HD3 ARG 99 1HD ARG 99 5.877 -11.617 -5.209
258 HE ARG 99 HE ARG 99 6.368 -14.366 -4.462
259 HH11 ARG 99 1HH1 ARG 99 5.689 -11.048 -3.333
260 HH12 ARG 99 2HH1 ARG 99 5.454 -11.515 -1.733
261 HH21 ARG 99 1HH2 ARG 99 6.084 -14.960 -2.201
262 HH22 ARG 99 2HH2 ARG 99 5.716 -13.767 -1.051
263 H ILE 100 H ILE 100 4.717 -9.549 -6.348
264 HA ILE 100 HA ILE 100 7.085 -7.849 -6.200
265 HB ILE 100 HB ILE 100 4.355 -7.345 -4.975
266 HG12 ILE 100 2HG1 ILE 100 5.464 -6.281 -7.592
267 HG13 ILE 100 1HG1 ILE 100 4.227 -7.525 -7.458
268 HG21 ILE 100 1HG2 ILE 100 6.698 -5.511 -5.551
269 HG22 ILE 100 2HG2 ILE 100 6.219 -6.124 -3.970
270 HG23 ILE 100 3HG2 ILE 100 5.153 -5.020 -4.846
271 HD11 ILE 100 1HD1 ILE 100 3.228 -5.378 -7.964
272 HD12 ILE 100 2HD1 ILE 100 4.000 -4.669 -6.548
273 HD13 ILE 100 3HD1 ILE 100 2.756 -5.900 -6.344
274 HA PRO 101 HA PRO 101 7.934 -10.000 -2.242
275 HB2 PRO 101 2HB PRO 101 10.016 -7.948 -2.016
276 HB3 PRO 101 1HB PRO 101 10.203 -9.708 -2.085
277 HG2 PRO 101 2HG PRO 101 10.998 -8.176 -4.094
278 HG3 PRO 101 1HG PRO 101 10.271 -9.775 -4.369
279 HD2 PRO 101 2HD PRO 101 9.028 -7.080 -4.668
280 HD3 PRO 101 1HD PRO 101 8.887 -8.530 -5.687
281 H ALA 102 H ALA 102 6.716 -9.603 -0.539
282 HA ALA 102 HA ALA 102 5.682 -7.103 0.199
283 HB1 ALA 102 1HB ALA 102 5.071 -8.157 2.325
284 HB2 ALA 102 2HB ALA 102 6.112 -9.529 1.950
285 HB3 ALA 102 3HB ALA 102 4.680 -9.214 0.972
286 H ASP 103 H ASP 103 8.596 -8.718 0.932
287 HA ASP 103 HA ASP 103 9.662 -7.189 3.016
288 HB2 ASP 103 2HB ASP 103 10.673 -9.263 2.128
289 HB3 ASP 103 1HB ASP 103 11.052 -8.426 0.631
290 H VAL 104 H VAL 104 9.738 -6.734 -0.483
291 HA VAL 104 HA VAL 104 11.169 -4.256 -0.368
292 HB VAL 104 HB VAL 104 9.778 -5.758 -2.602
293 HG11 VAL 104 1HG1 VAL 104 9.280 -3.407 -3.011
294 HG12 VAL 104 2HG1 VAL 104 10.451 -4.015 -4.190
295 HG13 VAL 104 3HG1 VAL 104 10.995 -3.002 -2.847
296 HG21 VAL 104 1HG2 VAL 104 12.613 -4.810 -2.195
297 HG22 VAL 104 2HG2 VAL 104 12.034 -5.773 -3.552
298 HG23 VAL 104 3HG2 VAL 104 12.024 -6.450 -1.919
299 H ILE 105 H ILE 105 7.842 -5.194 -0.479
300 HA ILE 105 HA ILE 105 6.707 -2.650 -0.868
301 HB ILE 105 HB ILE 105 5.573 -5.065 0.563
302 HG12 ILE 105 2HG1 ILE 105 5.283 -4.109 -2.288
303 HG13 ILE 105 1HG1 ILE 105 6.218 -5.480 -1.762
304 HG21 ILE 105 1HG2 ILE 105 3.371 -4.067 0.133
305 HG22 ILE 105 2HG2 ILE 105 4.156 -2.610 -0.481
306 HG23 ILE 105 3HG2 ILE 105 4.360 -3.079 1.203
307 HD11 ILE 105 1HD1 ILE 105 3.220 -5.213 -1.533
308 HD12 ILE 105 2HD1 ILE 105 4.163 -6.616 -1.035
309 HD13 ILE 105 3HD1 ILE 105 4.086 -6.163 -2.737
310 H ASP 106 H ASP 106 7.528 -4.419 2.091
311 HA ASP 106 HA ASP 106 6.638 -2.443 3.929
312 HB2 ASP 106 2HB ASP 106 7.066 -4.722 4.682
313 HB3 ASP 106 1HB ASP 106 8.750 -4.606 4.192
314 H ALA 107 H ALA 107 9.732 -3.060 2.386
315 HA ALA 107 HA ALA 107 11.181 -0.944 3.518
316 HB1 ALA 107 1HB ALA 107 12.617 -1.128 1.522
317 HB2 ALA 107 2HB ALA 107 11.379 -2.131 0.754
318 HB3 ALA 107 3HB ALA 107 12.206 -2.703 2.201
319 H TYR 108 H TYR 108 9.211 -1.054 0.592
320 HA TYR 108 HA TYR 108 9.458 1.556 -0.302
321 HB2 TYR 108 2HB TYR 108 8.427 -0.103 -1.675
322 HB3 TYR 108 1HB TYR 108 7.186 -0.415 -0.476
323 HD1 TYR 108 1HD TYR 108 5.170 0.859 -0.451
324 HD2 TYR 108 2HD TYR 108 8.365 2.008 -2.994
325 HE1 TYR 108 1HE TYR 108 3.665 2.389 -1.631
326 HE2 TYR 108 2HE TYR 108 6.875 3.545 -4.184
327 HH TYR 108 HH TYR 108 3.798 4.333 -2.952
328 H HIS 109 H HIS 109 6.960 0.217 1.811
329 HA HIS 109 HA HIS 109 5.633 2.650 2.247
330 HB2 HIS 109 2HB HIS 109 5.593 0.010 3.640
331 HB3 HIS 109 1HB HIS 109 4.723 1.339 4.364
332 HD1 HIS 109 1HD HIS 109 2.360 1.773 3.393
333 HD2 HIS 109 2HD HIS 109 4.685 -0.704 1.000
334 HE1 HIS 109 1HE HIS 109 0.843 0.902 1.596
335 H ALA 110 H ALA 110 8.327 1.191 3.949
336 HA ALA 110 HA ALA 110 8.182 3.225 6.000
337 HB1 ALA 110 1HB ALA 110 10.251 1.087 5.602
338 HB2 ALA 110 2HB ALA 110 8.798 0.934 6.590
339 HB3 ALA 110 3HB ALA 110 10.049 2.098 7.033
340 H ALA 111 H ALA 111 9.680 2.959 2.943
341 HA ALA 111 HA ALA 111 11.949 4.571 3.642
342 HB1 ALA 111 1HB ALA 111 12.624 4.401 1.369
343 HB2 ALA 111 2HB ALA 111 11.025 3.830 0.899
344 HB3 ALA 111 3HB ALA 111 12.049 2.819 1.910
345 H ASP 112 H ASP 112 12.287 6.612 3.381
346 HA ASP 112 HA ASP 112 10.668 8.152 1.596
347 HB2 ASP 112 2HB ASP 112 10.268 9.948 3.183
348 HB3 ASP 112 1HB ASP 112 9.628 8.465 3.857
Start of MODEL 3
1 H MET 65 1HT MET 65 4.750 9.592 15.494
2 HA MET 65 HA MET 65 4.975 8.878 13.217
3 HB2 MET 65 2HB MET 65 7.459 9.532 14.768
4 HB3 MET 65 1HB MET 65 7.490 9.377 13.020
5 HG2 MET 65 2HG MET 65 7.308 11.693 13.640
6 HG3 MET 65 1HG MET 65 5.826 11.173 12.853
7 HE1 MET 65 1HE MET 65 6.090 13.865 14.462
8 HE2 MET 65 2HE MET 65 4.605 13.872 15.406
9 HE3 MET 65 3HE MET 65 4.573 13.352 13.720
10 H SER 66 H SER 66 7.374 7.053 15.207
11 HA SER 66 HA SER 66 7.533 5.199 13.016
12 HB2 SER 66 2HB SER 66 9.353 4.189 14.520
13 HB3 SER 66 1HB SER 66 9.667 5.780 13.827
14 HG SER 66 HG SER 66 9.568 6.657 15.712
15 H GLY 67 H GLY 67 6.283 3.507 12.894
16 HA2 GLY 67 2HA GLY 67 5.945 1.463 14.497
17 HA3 GLY 67 1HA GLY 67 4.830 2.623 15.225
18 H SER 68 H SER 68 3.289 0.921 14.638
19 HA SER 68 HA SER 68 1.485 0.261 13.523
20 HB2 SER 68 2HB SER 68 2.151 2.428 11.516
21 HB3 SER 68 1HB SER 68 0.603 1.587 11.649
22 HG SER 68 HG SER 68 1.225 2.492 14.036
23 H GLY 69 H GLY 69 3.853 1.020 10.981
24 HA2 GLY 69 2HA GLY 69 4.834 -0.362 9.422
25 HA3 GLY 69 1HA GLY 69 4.166 -1.738 10.300
26 H ARG 70 H ARG 70 3.107 -2.887 8.850
27 HA ARG 70 HA ARG 70 0.953 -1.601 7.452
28 HB2 ARG 70 2HB ARG 70 1.649 -3.142 5.382
29 HB3 ARG 70 1HB ARG 70 2.290 -1.522 5.573
30 HG2 ARG 70 2HG ARG 70 4.078 -2.980 4.933
31 HG3 ARG 70 1HG ARG 70 4.325 -2.506 6.604
32 HD2 ARG 70 2HD ARG 70 3.218 -4.689 7.243
33 HD3 ARG 70 1HD ARG 70 3.349 -5.141 5.542
34 HE ARG 70 HE ARG 70 5.798 -4.217 6.690
35 HH11 ARG 70 1HH1 ARG 70 3.799 -7.054 6.023
36 HH12 ARG 70 2HH1 ARG 70 5.004 -8.196 6.397
37 HH21 ARG 70 1HH2 ARG 70 7.462 -5.775 7.266
38 HH22 ARG 70 2HH2 ARG 70 7.167 -7.433 7.117
39 H GLY 71 H GLY 71 -0.715 -3.109 6.699
40 HA2 GLY 71 2HA GLY 71 -0.971 -5.136 8.763
41 HA3 GLY 71 1HA GLY 71 -2.268 -4.480 7.769
42 H ARG 72 H ARG 72 -0.596 -4.831 5.343
43 HA ARG 72 HA ARG 72 -1.059 -7.690 5.164
44 HB2 ARG 72 2HB ARG 72 -1.136 -5.635 2.960
45 HB3 ARG 72 1HB ARG 72 -1.299 -7.362 2.703
46 HG2 ARG 72 2HG ARG 72 -3.174 -5.606 4.284
47 HG3 ARG 72 1HG ARG 72 -3.469 -6.276 2.680
48 HD2 ARG 72 2HD ARG 72 -3.335 -8.551 3.636
49 HD3 ARG 72 1HD ARG 72 -3.100 -7.847 5.235
50 HE ARG 72 HE ARG 72 -5.447 -6.960 3.842
51 HH11 ARG 72 1HH1 ARG 72 -4.155 -9.316 6.174
52 HH12 ARG 72 2HH1 ARG 72 -5.669 -9.697 6.836
53 HH21 ARG 72 1HH2 ARG 72 -7.525 -7.509 4.748
54 HH22 ARG 72 2HH2 ARG 72 -7.628 -8.648 6.022
55 H GLY 73 H GLY 73 0.406 -8.999 4.005
56 HA2 GLY 73 2HA GLY 73 3.123 -7.970 4.017
57 HA3 GLY 73 1HA GLY 73 2.647 -9.660 3.881
58 H ALA 74 H ALA 74 0.590 -8.502 1.858
59 HA ALA 74 HA ALA 74 2.355 -7.918 -0.368
60 HB1 ALA 74 1HB ALA 74 1.961 -10.331 -0.459
61 HB2 ALA 74 2HB ALA 74 1.128 -9.497 -1.781
62 HB3 ALA 74 3HB ALA 74 0.220 -10.042 -0.368
63 H ILE 75 H ILE 75 1.548 -6.153 -1.355
64 HA ILE 75 HA ILE 75 -1.260 -5.569 -0.875
65 HB ILE 75 HB ILE 75 1.076 -3.659 -0.994
66 HG12 ILE 75 2HG1 ILE 75 -0.794 -4.292 1.290
67 HG13 ILE 75 1HG1 ILE 75 0.769 -5.068 1.081
68 HG21 ILE 75 1HG2 ILE 75 -0.568 -1.902 -0.452
69 HG22 ILE 75 2HG2 ILE 75 -1.866 -3.095 -0.572
70 HG23 ILE 75 3HG2 ILE 75 -0.923 -2.673 -2.001
71 HD11 ILE 75 1HD1 ILE 75 0.295 -2.129 1.511
72 HD12 ILE 75 2HD1 ILE 75 1.859 -2.931 1.311
73 HD13 ILE 75 3HD1 ILE 75 0.851 -3.307 2.711
74 H ASP 76 H ASP 76 -2.420 -5.180 -2.508
75 HA ASP 76 HA ASP 76 -1.631 -3.991 -4.948
76 HB2 ASP 76 2HB ASP 76 -0.790 -6.225 -5.485
77 HB3 ASP 76 1HB ASP 76 -2.316 -6.948 -4.981
78 H ARG 77 H ARG 77 -3.199 -2.653 -4.908
79 HA ARG 77 HA ARG 77 -5.913 -3.339 -5.238
80 HB2 ARG 77 2HB ARG 77 -5.846 -3.886 -2.860
81 HB3 ARG 77 1HB ARG 77 -5.086 -2.354 -2.484
82 HG2 ARG 77 2HG ARG 77 -7.406 -2.255 -1.840
83 HG3 ARG 77 1HG ARG 77 -7.167 -1.202 -3.231
84 HD2 ARG 77 2HD ARG 77 -8.014 -2.968 -4.693
85 HD3 ARG 77 1HD ARG 77 -8.284 -3.995 -3.288
86 HE ARG 77 HE ARG 77 -9.610 -1.546 -2.929
87 HH11 ARG 77 1HH1 ARG 77 -9.862 -4.516 -4.813
88 HH12 ARG 77 2HH1 ARG 77 -11.539 -4.396 -5.068
89 HH21 ARG 77 1HH2 ARG 77 -11.894 -1.383 -3.250
90 HH22 ARG 77 2HH2 ARG 77 -12.744 -2.568 -4.143
91 H GLU 78 H GLU 78 -4.193 -0.799 -3.450
92 HA GLU 78 HA GLU 78 -5.334 1.204 -5.212
93 HB2 GLU 78 2HB GLU 78 -5.352 1.516 -2.769
94 HB3 GLU 78 1HB GLU 78 -3.599 1.471 -2.763
95 HG2 GLU 78 2HG GLU 78 -3.533 3.494 -4.108
96 HG3 GLU 78 1HG GLU 78 -5.297 3.532 -4.133
97 H GLN 79 H GLN 79 -2.136 0.128 -4.061
98 HA GLN 79 HA GLN 79 -1.004 1.025 -6.586
99 HB2 GLN 79 2HB GLN 79 0.201 1.570 -3.865
100 HB3 GLN 79 1HB GLN 79 0.986 1.882 -5.405
101 HG2 GLN 79 2HG GLN 79 -0.811 3.503 -5.931
102 HG3 GLN 79 1HG GLN 79 -1.467 3.227 -4.317
103 HE21 GLN 79 1HE2 GLN 79 -0.359 3.974 -2.550
104 HE22 GLN 79 2HE2 GLN 79 0.890 5.150 -2.664
105 H SER 80 H SER 80 0.653 -0.226 -7.263
106 HA SER 80 HA SER 80 1.943 -2.130 -5.577
107 HB2 SER 80 2HB SER 80 1.264 -4.080 -7.111
108 HB3 SER 80 1HB SER 80 0.073 -3.521 -5.940
109 HG SER 80 HG SER 80 -0.865 -3.808 -7.917
110 H ALA 81 H ALA 81 1.279 -1.182 -8.906
111 HA ALA 81 HA ALA 81 3.697 -2.058 -10.010
112 HB1 ALA 81 1HB ALA 81 1.953 0.225 -10.924
113 HB2 ALA 81 2HB ALA 81 1.719 -1.469 -11.344
114 HB3 ALA 81 3HB ALA 81 3.159 -0.615 -11.899
115 H ALA 82 H ALA 82 2.818 0.934 -8.418
116 HA ALA 82 HA ALA 82 5.109 2.457 -8.962
117 HB1 ALA 82 1HB ALA 82 3.368 2.521 -6.494
118 HB2 ALA 82 2HB ALA 82 3.080 3.428 -7.979
119 HB3 ALA 82 3HB ALA 82 4.499 3.776 -6.996
120 H ILE 83 H ILE 83 4.440 -0.011 -6.593
121 HA ILE 83 HA ILE 83 6.744 0.423 -4.988
122 HB ILE 83 HB ILE 83 5.121 -2.130 -5.318
123 HG12 ILE 83 2HG1 ILE 83 4.795 0.116 -3.313
124 HG13 ILE 83 1HG1 ILE 83 3.712 -0.211 -4.658
125 HG21 ILE 83 1HG2 ILE 83 6.941 -1.220 -3.084
126 HG22 ILE 83 2HG2 ILE 83 7.286 -2.502 -4.246
127 HG23 ILE 83 3HG2 ILE 83 5.979 -2.700 -3.082
128 HD11 ILE 83 1HD1 ILE 83 2.777 -1.014 -2.573
129 HD12 ILE 83 2HD1 ILE 83 4.211 -1.996 -2.286
130 HD13 ILE 83 3HD1 ILE 83 3.140 -2.378 -3.633
131 H ARG 84 H ARG 84 5.971 -1.620 -7.738
132 HA ARG 84 HA ARG 84 8.411 -3.032 -7.917
133 HB2 ARG 84 2HB ARG 84 6.407 -2.287 -10.048
134 HB3 ARG 84 1HB ARG 84 7.819 -3.269 -10.374
135 HG2 ARG 84 2HG ARG 84 7.011 -4.964 -8.822
136 HG3 ARG 84 1HG ARG 84 5.599 -3.962 -8.467
137 HD2 ARG 84 2HD ARG 84 4.823 -4.131 -10.713
138 HD3 ARG 84 1HD ARG 84 6.319 -4.908 -11.229
139 HE ARG 84 HE ARG 84 5.622 -6.780 -9.725
140 HH11 ARG 84 1HH1 ARG 84 3.176 -4.690 -11.267
141 HH12 ARG 84 2HH1 ARG 84 1.974 -5.891 -11.279
142 HH21 ARG 84 1HH2 ARG 84 3.951 -8.472 -9.891
143 HH22 ARG 84 2HH2 ARG 84 2.433 -8.049 -10.539
144 H GLU 85 H GLU 85 7.349 0.002 -9.323
145 HA GLU 85 HA GLU 85 9.703 0.476 -10.811
146 HB2 GLU 85 2HB GLU 85 7.586 2.387 -9.845
147 HB3 GLU 85 1HB GLU 85 8.888 2.825 -10.944
148 HG2 GLU 85 2HG GLU 85 6.732 0.792 -11.449
149 HG3 GLU 85 1HG GLU 85 6.862 2.394 -12.177
150 H TRP 86 H TRP 86 8.652 1.572 -7.631
151 HA TRP 86 HA TRP 86 10.891 3.117 -6.997
152 HB2 TRP 86 2HB TRP 86 8.882 3.241 -5.660
153 HB3 TRP 86 1HB TRP 86 8.974 1.531 -5.277
154 HD1 TRP 86 HD TRP 86 10.433 4.916 -4.253
155 HE1 TRP 86 1HE TRP 86 11.699 4.614 -2.031
156 HE3 TRP 86 3HE TRP 86 10.231 -0.154 -3.906
157 HZ2 TRP 86 2HZ TRP 86 12.505 2.467 -0.350
158 HZ3 TRP 86 3HZ TRP 86 11.272 -1.262 -1.983
159 HH2 TRP 86 HH TRP 86 12.382 0.028 -0.241
160 H ALA 87 H ALA 87 10.246 -0.307 -6.679
161 HA ALA 87 HA ALA 87 12.575 -1.058 -5.357
162 HB1 ALA 87 1HB ALA 87 10.644 -2.511 -5.599
163 HB2 ALA 87 2HB ALA 87 12.104 -3.305 -6.212
164 HB3 ALA 87 3HB ALA 87 10.930 -2.615 -7.333
165 H ARG 88 H ARG 88 11.850 -0.702 -8.786
166 HA ARG 88 HA ARG 88 14.387 -1.563 -9.763
167 HB2 ARG 88 2HB ARG 88 12.362 0.298 -11.023
168 HB3 ARG 88 1HB ARG 88 13.755 -0.378 -11.855
169 HG2 ARG 88 2HG ARG 88 12.869 -2.621 -11.542
170 HG3 ARG 88 1HG ARG 88 11.487 -1.955 -10.670
171 HD2 ARG 88 2HD ARG 88 10.934 -2.470 -12.992
172 HD3 ARG 88 1HD ARG 88 10.803 -0.745 -12.668
173 HE ARG 88 HE ARG 88 13.010 -0.519 -13.727
174 HH11 ARG 88 1HH1 ARG 88 11.111 -3.416 -14.498
175 HH12 ARG 88 2HH1 ARG 88 11.797 -3.589 -16.046
176 HH21 ARG 88 1HH2 ARG 88 13.927 -0.782 -15.836
177 HH22 ARG 88 2HH2 ARG 88 13.386 -2.051 -16.835
178 H ARG 89 H ARG 89 13.083 1.504 -8.842
179 HA ARG 89 HA ARG 89 15.136 3.253 -9.501
180 HB2 ARG 89 2HB ARG 89 13.090 4.160 -8.832
181 HB3 ARG 89 1HB ARG 89 13.013 3.150 -7.404
182 HG2 ARG 89 2HG ARG 89 14.812 4.509 -6.405
183 HG3 ARG 89 1HG ARG 89 14.753 5.569 -7.821
184 HD2 ARG 89 2HD ARG 89 12.521 6.217 -7.354
185 HD3 ARG 89 1HD ARG 89 12.322 4.930 -6.174
186 HE ARG 89 HE ARG 89 14.407 6.597 -5.373
187 HH11 ARG 89 1HH1 ARG 89 10.890 6.734 -5.768
188 HH12 ARG 89 2HH1 ARG 89 10.618 7.770 -4.457
189 HH21 ARG 89 1HH2 ARG 89 14.027 8.008 -3.486
190 HH22 ARG 89 2HH2 ARG 89 12.430 8.479 -3.115
191 H ASN 90 H ASN 90 14.650 1.326 -6.589
192 HA ASN 90 HA ASN 90 17.128 2.193 -5.428
193 HB2 ASN 90 2HB ASN 90 15.068 0.206 -4.579
194 HB3 ASN 90 1HB ASN 90 16.625 0.251 -3.768
195 HD21 ASN 90 1HD2 ASN 90 13.657 1.942 -4.368
196 HD22 ASN 90 2HD2 ASN 90 13.895 3.130 -3.140
197 H GLY 91 H GLY 91 16.091 -0.610 -7.203
198 HA2 GLY 91 2HA GLY 91 17.876 -1.579 -8.588
199 HA3 GLY 91 1HA GLY 91 18.910 -1.470 -7.172
200 H HIS 92 H HIS 92 15.860 -2.358 -6.206
201 HA HIS 92 HA HIS 92 16.662 -5.075 -5.656
202 HB2 HIS 92 2HB HIS 92 13.775 -4.177 -5.584
203 HB3 HIS 92 1HB HIS 92 14.568 -5.369 -4.579
204 HD1 HIS 92 1HD HIS 92 16.788 -3.645 -3.216
205 HD2 HIS 92 2HD HIS 92 12.890 -2.372 -3.878
206 HE1 HIS 92 1HE HIS 92 16.387 -1.699 -1.666
207 H ASN 93 H ASN 93 14.591 -3.357 -7.817
208 HA ASN 93 HA ASN 93 13.614 -3.729 -9.791
209 HB2 ASN 93 2HB ASN 93 15.764 -5.818 -10.056
210 HB3 ASN 93 1HB ASN 93 14.685 -5.364 -11.366
211 HD21 ASN 93 1HD2 ASN 93 17.612 -5.110 -11.011
212 HD22 ASN 93 2HD2 ASN 93 17.937 -3.437 -11.318
213 H VAL 94 H VAL 94 11.614 -4.323 -9.042
214 HA VAL 94 HA VAL 94 11.135 -7.194 -9.066
215 HB VAL 94 HB VAL 94 9.166 -5.001 -8.326
216 HG11 VAL 94 1HG1 VAL 94 7.823 -6.827 -7.389
217 HG12 VAL 94 2HG1 VAL 94 9.020 -7.996 -7.939
218 HG13 VAL 94 3HG1 VAL 94 8.097 -7.062 -9.116
219 HG21 VAL 94 1HG2 VAL 94 9.517 -5.683 -5.996
220 HG22 VAL 94 2HG2 VAL 94 11.006 -5.086 -6.727
221 HG23 VAL 94 3HG2 VAL 94 10.760 -6.821 -6.520
222 H SER 95 H SER 95 11.516 -7.369 -11.198
223 HA SER 95 HA SER 95 9.203 -6.901 -12.869
224 HB2 SER 95 2HB SER 95 11.997 -5.982 -13.628
225 HB3 SER 95 1HB SER 95 10.595 -5.980 -14.704
226 HG SER 95 HG SER 95 9.952 -4.815 -12.432
227 H THR 96 H THR 96 10.376 -9.113 -11.494
228 HA THR 96 HA THR 96 11.768 -10.726 -13.417
229 HB THR 96 HB THR 96 11.556 -12.292 -11.380
230 HG1 THR 96 1HG THR 96 10.949 -11.237 -9.481
231 HG21 THR 96 1HG2 THR 96 13.621 -11.055 -11.935
232 HG22 THR 96 2HG2 THR 96 13.365 -11.092 -10.189
233 HG23 THR 96 3HG2 THR 96 12.985 -9.635 -11.108
234 H ARG 97 H ARG 97 8.871 -9.725 -13.511
235 HA ARG 97 HA ARG 97 6.789 -10.311 -13.942
236 HB2 ARG 97 2HB ARG 97 7.972 -12.867 -15.069
237 HB3 ARG 97 1HB ARG 97 6.358 -12.266 -15.378
238 HG2 ARG 97 2HG ARG 97 7.468 -11.659 -17.316
239 HG3 ARG 97 1HG ARG 97 7.620 -10.190 -16.359
240 HD2 ARG 97 2HD ARG 97 9.740 -10.746 -17.417
241 HD3 ARG 97 1HD ARG 97 9.875 -10.903 -15.662
242 HE ARG 97 HE ARG 97 9.126 -13.373 -16.734
243 HH11 ARG 97 1HH1 ARG 97 12.025 -11.293 -16.752
244 HH12 ARG 97 2HH1 ARG 97 13.096 -12.596 -16.892
245 HH21 ARG 97 1HH2 ARG 97 10.595 -15.105 -16.907
246 HH22 ARG 97 2HH2 ARG 97 12.282 -14.833 -16.959
247 H GLY 98 H GLY 98 6.419 -10.331 -11.683
248 HA2 GLY 98 2HA GLY 98 4.993 -12.617 -10.942
249 HA3 GLY 98 1HA GLY 98 6.575 -12.668 -10.190
250 H ARG 99 H ARG 99 5.925 -12.425 -8.158
251 HA ARG 99 HA ARG 99 4.091 -10.312 -7.401
252 HB2 ARG 99 2HB ARG 99 3.904 -12.645 -6.515
253 HB3 ARG 99 1HB ARG 99 5.446 -12.425 -5.712
254 HG2 ARG 99 2HG ARG 99 4.501 -10.700 -4.297
255 HG3 ARG 99 1HG ARG 99 2.963 -10.805 -5.158
256 HD2 ARG 99 2HD ARG 99 4.265 -13.002 -3.560
257 HD3 ARG 99 1HD ARG 99 2.867 -12.041 -3.065
258 HE ARG 99 HE ARG 99 2.279 -13.169 -5.524
259 HH11 ARG 99 1HH1 ARG 99 2.855 -14.268 -2.211
260 HH12 ARG 99 2HH1 ARG 99 1.891 -15.654 -2.353
261 HH21 ARG 99 1HH2 ARG 99 1.013 -15.085 -5.743
262 HH22 ARG 99 2HH2 ARG 99 0.836 -16.154 -4.437
263 H ILE 100 H ILE 100 4.685 -9.062 -5.399
264 HA ILE 100 HA ILE 100 7.372 -7.958 -5.695
265 HB ILE 100 HB ILE 100 4.988 -6.903 -4.170
266 HG12 ILE 100 2HG1 ILE 100 6.009 -5.990 -6.874
267 HG13 ILE 100 1HG1 ILE 100 4.598 -7.019 -6.645
268 HG21 ILE 100 1HG2 ILE 100 7.133 -6.146 -3.357
269 HG22 ILE 100 2HG2 ILE 100 6.254 -4.805 -4.107
270 HG23 ILE 100 3HG2 ILE 100 7.589 -5.587 -4.969
271 HD11 ILE 100 1HD1 ILE 100 3.509 -5.233 -5.397
272 HD12 ILE 100 2HD1 ILE 100 3.974 -4.702 -7.013
273 HD13 ILE 100 3HD1 ILE 100 4.934 -4.219 -5.615
274 HA PRO 101 HA PRO 101 8.518 -10.056 -1.784
275 HB2 PRO 101 2HB PRO 101 10.421 -7.786 -1.878
276 HB3 PRO 101 1HB PRO 101 10.747 -9.510 -1.596
277 HG2 PRO 101 2HG PRO 101 11.386 -8.467 -3.895
278 HG3 PRO 101 1HG PRO 101 10.609 -10.061 -3.832
279 HD2 PRO 101 2HD PRO 101 9.431 -7.428 -4.573
280 HD3 PRO 101 1HD PRO 101 9.140 -9.041 -5.268
281 H ALA 102 H ALA 102 7.614 -9.820 -0.025
282 HA ALA 102 HA ALA 102 6.140 -7.726 1.001
283 HB1 ALA 102 1HB ALA 102 6.353 -8.805 3.187
284 HB2 ALA 102 2HB ALA 102 7.715 -9.753 2.590
285 HB3 ALA 102 3HB ALA 102 6.108 -10.005 1.916
286 H ASP 103 H ASP 103 9.517 -8.475 1.472
287 HA ASP 103 HA ASP 103 10.323 -6.434 3.175
288 HB2 ASP 103 2HB ASP 103 11.894 -8.129 2.682
289 HB3 ASP 103 1HB ASP 103 11.718 -7.885 0.947
290 H VAL 104 H VAL 104 10.036 -6.442 -0.358
291 HA VAL 104 HA VAL 104 11.065 -3.813 -0.672
292 HB VAL 104 HB VAL 104 9.426 -5.579 -2.504
293 HG11 VAL 104 1HG1 VAL 104 10.570 -2.842 -3.136
294 HG12 VAL 104 2HG1 VAL 104 8.858 -3.265 -3.012
295 HG13 VAL 104 3HG1 VAL 104 9.838 -3.958 -4.299
296 HG21 VAL 104 1HG2 VAL 104 11.497 -5.689 -3.780
297 HG22 VAL 104 2HG2 VAL 104 11.751 -6.213 -2.109
298 HG23 VAL 104 3HG2 VAL 104 12.271 -4.610 -2.622
299 H ILE 105 H ILE 105 7.858 -5.112 -0.338
300 HA ILE 105 HA ILE 105 6.412 -2.734 -0.759
301 HB ILE 105 HB ILE 105 5.674 -5.153 0.916
302 HG12 ILE 105 2HG1 ILE 105 4.998 -4.454 -1.942
303 HG13 ILE 105 1HG1 ILE 105 6.231 -5.601 -1.458
304 HG21 ILE 105 1HG2 ILE 105 3.928 -2.970 -0.233
305 HG22 ILE 105 2HG2 ILE 105 4.279 -3.219 1.475
306 HG23 ILE 105 3HG2 ILE 105 3.353 -4.425 0.579
307 HD11 ILE 105 1HD1 ILE 105 4.524 -7.019 -0.446
308 HD12 ILE 105 2HD1 ILE 105 4.160 -6.710 -2.146
309 HD13 ILE 105 3HD1 ILE 105 3.286 -5.843 -0.881
310 H ASP 106 H ASP 106 7.588 -4.258 2.226
311 HA ASP 106 HA ASP 106 6.531 -2.278 3.976
312 HB2 ASP 106 2HB ASP 106 7.183 -4.507 4.784
313 HB3 ASP 106 1HB ASP 106 8.864 -4.156 4.404
314 H ALA 107 H ALA 107 9.637 -2.702 2.414
315 HA ALA 107 HA ALA 107 10.909 -0.494 3.578
316 HB1 ALA 107 1HB ALA 107 12.538 -0.731 1.775
317 HB2 ALA 107 2HB ALA 107 11.406 -1.779 0.904
318 HB3 ALA 107 3HB ALA 107 12.087 -2.307 2.438
319 H TYR 108 H TYR 108 8.936 -0.837 0.669
320 HA TYR 108 HA TYR 108 9.206 1.754 -0.356
321 HB2 TYR 108 2HB TYR 108 8.141 0.000 -1.645
322 HB3 TYR 108 1HB TYR 108 6.864 -0.175 -0.459
323 HD1 TYR 108 1HD TYR 108 4.947 1.313 -0.493
324 HD2 TYR 108 2HD TYR 108 8.212 1.964 -3.127
325 HE1 TYR 108 1HE TYR 108 3.591 2.916 -1.760
326 HE2 TYR 108 2HE TYR 108 6.878 3.565 -4.405
327 HH TYR 108 HH TYR 108 4.508 4.123 -4.829
328 H HIS 109 H HIS 109 7.018 0.414 2.011
329 HA HIS 109 HA HIS 109 5.653 2.872 2.481
330 HB2 HIS 109 2HB HIS 109 5.632 0.205 3.835
331 HB3 HIS 109 1HB HIS 109 4.766 1.549 4.554
332 HD1 HIS 109 1HD HIS 109 2.518 2.198 3.433
333 HD2 HIS 109 2HD HIS 109 4.625 -0.711 1.358
334 HE1 HIS 109 1HE HIS 109 0.937 1.276 1.698
335 H ALA 110 H ALA 110 8.498 1.450 3.744
336 HA ALA 110 HA ALA 110 8.544 3.101 6.114
337 HB1 ALA 110 1HB ALA 110 10.675 2.021 6.587
338 HB2 ALA 110 2HB ALA 110 10.650 1.273 4.987
339 HB3 ALA 110 3HB ALA 110 9.435 0.833 6.184
340 H ALA 111 H ALA 111 10.124 3.045 2.972
341 HA ALA 111 HA ALA 111 11.949 5.141 3.640
342 HB1 ALA 111 1HB ALA 111 12.479 3.421 1.963
343 HB2 ALA 111 2HB ALA 111 12.622 5.059 1.329
344 HB3 ALA 111 3HB ALA 111 11.215 4.075 0.919
345 H ASP 112 H ASP 112 11.727 7.244 3.401
346 HA ASP 112 HA ASP 112 9.426 8.247 1.900
347 HB2 ASP 112 2HB ASP 112 8.896 8.585 4.235
348 HB3 ASP 112 1HB ASP 112 10.488 9.274 4.544
Start of MODEL 4
1 H MET 65 1HT MET 65 -4.113 -16.577 -7.111
2 HA MET 65 HA MET 65 -3.081 -14.234 -8.588
3 HB2 MET 65 2HB MET 65 -3.819 -16.150 -10.013
4 HB3 MET 65 1HB MET 65 -5.375 -16.117 -9.195
5 HG2 MET 65 2HG MET 65 -5.729 -13.830 -10.050
6 HG3 MET 65 1HG MET 65 -4.215 -13.956 -10.941
7 HE1 MET 65 1HE MET 65 -3.788 -15.789 -12.857
8 HE2 MET 65 2HE MET 65 -5.033 -16.901 -13.426
9 HE3 MET 65 3HE MET 65 -4.357 -17.093 -11.812
10 H SER 66 H SER 66 -4.385 -12.359 -8.364
11 HA SER 66 HA SER 66 -5.989 -12.352 -6.042
12 HB2 SER 66 2HB SER 66 -5.398 -10.178 -8.055
13 HB3 SER 66 1HB SER 66 -6.244 -9.934 -6.527
14 HG SER 66 HG SER 66 -4.427 -10.782 -5.480
15 H GLY 67 H GLY 67 -7.615 -13.596 -6.339
16 HA2 GLY 67 2HA GLY 67 -9.990 -12.522 -7.498
17 HA3 GLY 67 1HA GLY 67 -9.425 -13.980 -8.332
18 H SER 68 H SER 68 -8.458 -15.573 -6.641
19 HA SER 68 HA SER 68 -10.497 -16.106 -4.653
20 HB2 SER 68 2HB SER 68 -8.054 -17.709 -5.479
21 HB3 SER 68 1HB SER 68 -9.455 -18.295 -4.575
22 HG SER 68 HG SER 68 -10.475 -17.288 -6.696
23 H GLY 69 H GLY 69 -10.063 -15.588 -2.534
24 HA2 GLY 69 2HA GLY 69 -8.834 -14.906 -0.676
25 HA3 GLY 69 1HA GLY 69 -7.347 -15.209 -1.583
26 H ARG 70 H ARG 70 -10.087 -13.296 -2.444
27 HA ARG 70 HA ARG 70 -8.435 -11.131 -3.365
28 HB2 ARG 70 2HB ARG 70 -10.564 -10.128 -4.110
29 HB3 ARG 70 1HB ARG 70 -10.344 -11.777 -4.682
30 HG2 ARG 70 2HG ARG 70 -11.783 -12.530 -2.775
31 HG3 ARG 70 1HG ARG 70 -12.113 -10.835 -2.452
32 HD2 ARG 70 2HD ARG 70 -13.098 -10.549 -4.613
33 HD3 ARG 70 1HD ARG 70 -12.632 -12.184 -5.084
34 HE ARG 70 HE ARG 70 -14.170 -12.373 -2.787
35 HH11 ARG 70 1HH1 ARG 70 -14.567 -11.348 -6.125
36 HH12 ARG 70 2HH1 ARG 70 -16.190 -11.803 -6.258
37 HH21 ARG 70 1HH2 ARG 70 -16.412 -13.042 -2.927
38 HH22 ARG 70 2HH2 ARG 70 -17.274 -12.806 -4.370
39 H GLY 71 H GLY 71 -8.542 -8.999 -2.686
40 HA2 GLY 71 2HA GLY 71 -9.642 -7.447 -1.095
41 HA3 GLY 71 1HA GLY 71 -9.361 -8.709 0.105
42 H ARG 72 H ARG 72 -8.336 -5.923 -0.307
43 HA ARG 72 HA ARG 72 -5.457 -6.551 -0.128
44 HB2 ARG 72 2HB ARG 72 -6.831 -3.981 -0.943
45 HB3 ARG 72 1HB ARG 72 -5.102 -4.158 -0.715
46 HG2 ARG 72 2HG ARG 72 -6.723 -5.657 -2.760
47 HG3 ARG 72 1HG ARG 72 -5.807 -4.183 -3.078
48 HD2 ARG 72 2HD ARG 72 -4.702 -6.833 -2.161
49 HD3 ARG 72 1HD ARG 72 -4.524 -6.125 -3.764
50 HE ARG 72 HE ARG 72 -3.225 -5.218 -1.295
51 HH11 ARG 72 1HH1 ARG 72 -3.546 -4.878 -4.822
52 HH12 ARG 72 2HH1 ARG 72 -2.069 -4.059 -4.985
53 HH21 ARG 72 1HH2 ARG 72 -1.180 -4.070 -1.591
54 HH22 ARG 72 2HH2 ARG 72 -0.732 -3.638 -3.185
55 H GLY 73 H GLY 73 -8.059 -6.067 1.686
56 HA2 GLY 73 2HA GLY 73 -8.107 -5.617 3.982
57 HA3 GLY 73 1HA GLY 73 -6.623 -4.662 3.812
58 H ALA 74 H ALA 74 -6.899 -2.887 2.143
59 HA ALA 74 HA ALA 74 -9.521 -1.594 2.194
60 HB1 ALA 74 1HB ALA 74 -8.060 -0.422 3.816
61 HB2 ALA 74 2HB ALA 74 -8.331 0.575 2.386
62 HB3 ALA 74 3HB ALA 74 -6.803 -0.286 2.587
63 H ILE 75 H ILE 75 -9.928 -0.519 0.255
64 HA ILE 75 HA ILE 75 -8.706 -1.820 -1.945
65 HB ILE 75 HB ILE 75 -10.604 0.503 -1.926
66 HG12 ILE 75 2HG1 ILE 75 -11.205 -2.425 -2.349
67 HG13 ILE 75 1HG1 ILE 75 -11.365 -1.628 -0.794
68 HG21 ILE 75 1HG2 ILE 75 -9.875 -1.426 -4.143
69 HG22 ILE 75 2HG2 ILE 75 -9.427 0.276 -4.069
70 HG23 ILE 75 3HG2 ILE 75 -11.123 -0.181 -4.247
71 HD11 ILE 75 1HD1 ILE 75 -13.488 -1.862 -1.913
72 HD12 ILE 75 2HD1 ILE 75 -12.885 -0.939 -3.300
73 HD13 ILE 75 3HD1 ILE 75 -13.049 -0.170 -1.713
74 H ASP 76 H ASP 76 -6.981 -1.353 -2.821
75 HA ASP 76 HA ASP 76 -5.957 1.363 -3.131
76 HB2 ASP 76 2HB ASP 76 -4.912 0.589 -1.069
77 HB3 ASP 76 1HB ASP 76 -4.443 -0.919 -1.839
78 H ARG 77 H ARG 77 -4.817 1.621 -5.000
79 HA ARG 77 HA ARG 77 -4.273 -0.740 -6.621
80 HB2 ARG 77 2HB ARG 77 -5.292 0.318 -8.607
81 HB3 ARG 77 1HB ARG 77 -6.469 -0.069 -7.359
82 HG2 ARG 77 2HG ARG 77 -6.687 2.199 -6.731
83 HG3 ARG 77 1HG ARG 77 -5.276 2.665 -7.678
84 HD2 ARG 77 2HD ARG 77 -7.406 3.308 -8.755
85 HD3 ARG 77 1HD ARG 77 -6.460 2.205 -9.741
86 HE ARG 77 HE ARG 77 -8.123 0.562 -8.411
87 HH11 ARG 77 1HH1 ARG 77 -8.766 3.493 -10.334
88 HH12 ARG 77 2HH1 ARG 77 -10.285 2.950 -10.885
89 HH21 ARG 77 1HH2 ARG 77 -10.218 -0.165 -9.232
90 HH22 ARG 77 2HH2 ARG 77 -11.112 0.854 -10.262
91 H GLU 78 H GLU 78 -2.856 -0.317 -8.395
92 HA GLU 78 HA GLU 78 -1.290 0.630 -9.670
93 HB2 GLU 78 2HB GLU 78 -2.777 2.532 -9.846
94 HB3 GLU 78 1HB GLU 78 -2.113 3.213 -8.374
95 HG2 GLU 78 2HG GLU 78 0.049 3.476 -9.480
96 HG3 GLU 78 1HG GLU 78 -0.632 2.801 -10.961
97 H GLN 79 H GLN 79 -1.116 1.532 -6.278
98 HA GLN 79 HA GLN 79 1.575 2.366 -6.385
99 HB2 GLN 79 2HB GLN 79 0.071 1.425 -3.951
100 HB3 GLN 79 1HB GLN 79 1.560 2.358 -3.957
101 HG2 GLN 79 2HG GLN 79 0.245 4.121 -5.242
102 HG3 GLN 79 1HG GLN 79 -1.192 3.224 -4.761
103 HE21 GLN 79 1HE2 GLN 79 -1.720 3.123 -2.501
104 HE22 GLN 79 2HE2 GLN 79 -1.042 4.295 -1.425
105 H SER 80 H SER 80 0.158 -0.747 -6.103
106 HA SER 80 HA SER 80 2.442 -2.047 -5.042
107 HB2 SER 80 2HB SER 80 0.218 -3.229 -6.728
108 HB3 SER 80 1HB SER 80 1.342 -4.132 -5.708
109 HG SER 80 HG SER 80 -0.070 -2.039 -4.559
110 H ALA 81 H ALA 81 1.444 -1.150 -8.273
111 HA ALA 81 HA ALA 81 3.562 -2.546 -9.596
112 HB1 ALA 81 1HB ALA 81 1.494 -1.937 -10.768
113 HB2 ALA 81 2HB ALA 81 2.899 -1.210 -11.540
114 HB3 ALA 81 3HB ALA 81 1.849 -0.228 -10.513
115 H ALA 82 H ALA 82 2.987 0.630 -8.273
116 HA ALA 82 HA ALA 82 5.338 1.893 -9.146
117 HB1 ALA 82 1HB ALA 82 4.906 3.539 -7.394
118 HB2 ALA 82 2HB ALA 82 3.747 2.450 -6.639
119 HB3 ALA 82 3HB ALA 82 3.410 3.128 -8.234
120 H ILE 83 H ILE 83 4.642 -0.165 -6.417
121 HA ILE 83 HA ILE 83 7.041 0.114 -4.960
122 HB ILE 83 HB ILE 83 5.417 -2.446 -5.291
123 HG12 ILE 83 2HG1 ILE 83 5.310 -0.345 -3.120
124 HG13 ILE 83 1HG1 ILE 83 4.094 -0.595 -4.361
125 HG21 ILE 83 1HG2 ILE 83 7.648 -2.939 -4.454
126 HG22 ILE 83 2HG2 ILE 83 6.448 -3.187 -3.186
127 HG23 ILE 83 3HG2 ILE 83 7.453 -1.738 -3.174
128 HD11 ILE 83 1HD1 ILE 83 3.390 -1.536 -2.244
129 HD12 ILE 83 2HD1 ILE 83 4.840 -2.535 -2.184
130 HD13 ILE 83 3HD1 ILE 83 3.627 -2.823 -3.429
131 H ARG 84 H ARG 84 6.174 -1.955 -7.624
132 HA ARG 84 HA ARG 84 8.586 -3.410 -7.835
133 HB2 ARG 84 2HB ARG 84 6.560 -2.745 -9.981
134 HB3 ARG 84 1HB ARG 84 7.821 -3.966 -10.097
135 HG2 ARG 84 2HG ARG 84 6.804 -5.269 -8.354
136 HG3 ARG 84 1HG ARG 84 5.604 -4.005 -8.061
137 HD2 ARG 84 2HD ARG 84 4.706 -4.322 -10.306
138 HD3 ARG 84 1HD ARG 84 5.938 -5.529 -10.639
139 HE ARG 84 HE ARG 84 4.528 -6.328 -8.383
140 HH11 ARG 84 1HH1 ARG 84 3.930 -5.882 -11.852
141 HH12 ARG 84 2HH1 ARG 84 2.724 -7.081 -11.948
142 HH21 ARG 84 1HH2 ARG 84 2.836 -8.006 -8.510
143 HH22 ARG 84 2HH2 ARG 84 2.105 -8.313 -10.005
144 H GLU 85 H GLU 85 7.447 -0.476 -9.463
145 HA GLU 85 HA GLU 85 9.929 -0.195 -10.819
146 HB2 GLU 85 2HB GLU 85 7.616 1.676 -10.561
147 HB3 GLU 85 1HB GLU 85 9.097 2.172 -11.385
148 HG2 GLU 85 2HG GLU 85 8.767 -0.004 -12.755
149 HG3 GLU 85 1HG GLU 85 7.115 0.056 -12.150
150 H TRP 86 H TRP 86 8.766 1.084 -7.812
151 HA TRP 86 HA TRP 86 10.903 2.836 -7.259
152 HB2 TRP 86 2HB TRP 86 8.908 2.883 -5.894
153 HB3 TRP 86 1HB TRP 86 9.081 1.189 -5.484
154 HD1 TRP 86 HD TRP 86 10.384 4.647 -4.521
155 HE1 TRP 86 1HE TRP 86 11.638 4.461 -2.289
156 HE3 TRP 86 3HE TRP 86 10.398 -0.403 -4.073
157 HZ2 TRP 86 2HZ TRP 86 12.530 2.393 -0.554
158 HZ3 TRP 86 3HZ TRP 86 11.470 -1.427 -2.114
159 HH2 TRP 86 HH TRP 86 12.513 -0.048 -0.392
160 H ALA 87 H ALA 87 10.429 -0.601 -6.736
161 HA ALA 87 HA ALA 87 12.824 -1.233 -5.478
162 HB1 ALA 87 1HB ALA 87 11.190 -2.847 -7.429
163 HB2 ALA 87 2HB ALA 87 10.939 -2.772 -5.691
164 HB3 ALA 87 3HB ALA 87 12.408 -3.512 -6.339
165 H ARG 88 H ARG 88 12.017 -1.194 -8.974
166 HA ARG 88 HA ARG 88 14.608 -1.690 -9.900
167 HB2 ARG 88 2HB ARG 88 12.231 -0.330 -11.089
168 HB3 ARG 88 1HB ARG 88 13.743 -0.479 -11.971
169 HG2 ARG 88 2HG ARG 88 12.123 -2.742 -10.864
170 HG3 ARG 88 1HG ARG 88 12.143 -2.230 -12.549
171 HD2 ARG 88 2HD ARG 88 14.708 -2.560 -12.371
172 HD3 ARG 88 1HD ARG 88 14.341 -3.471 -10.915
173 HE ARG 88 HE ARG 88 12.955 -4.242 -13.320
174 HH11 ARG 88 1HH1 ARG 88 15.495 -5.018 -10.960
175 HH12 ARG 88 2HH1 ARG 88 15.972 -6.439 -11.742
176 HH21 ARG 88 1HH2 ARG 88 13.612 -6.197 -14.376
177 HH22 ARG 88 2HH2 ARG 88 14.847 -7.163 -13.704
178 H ARG 89 H ARG 89 13.063 1.296 -8.961
179 HA ARG 89 HA ARG 89 14.930 3.152 -9.919
180 HB2 ARG 89 2HB ARG 89 12.698 3.731 -9.011
181 HB3 ARG 89 1HB ARG 89 13.240 3.257 -7.414
182 HG2 ARG 89 2HG ARG 89 14.929 5.065 -7.506
183 HG3 ARG 89 1HG ARG 89 14.228 5.586 -9.042
184 HD2 ARG 89 2HD ARG 89 12.750 5.376 -6.423
185 HD3 ARG 89 1HD ARG 89 13.344 6.880 -7.121
186 HE ARG 89 HE ARG 89 11.790 6.013 -9.081
187 HH11 ARG 89 1HH1 ARG 89 11.161 6.107 -5.599
188 HH12 ARG 89 2HH1 ARG 89 9.480 6.333 -5.766
189 HH21 ARG 89 1HH2 ARG 89 9.463 6.323 -9.310
190 HH22 ARG 89 2HH2 ARG 89 8.490 6.438 -7.943
191 H ASN 90 H ASN 90 14.752 1.316 -6.957
192 HA ASN 90 HA ASN 90 17.212 2.357 -5.905
193 HB2 ASN 90 2HB ASN 90 15.350 0.176 -5.032
194 HB3 ASN 90 1HB ASN 90 16.893 0.386 -4.225
195 HD21 ASN 90 1HD2 ASN 90 13.741 1.717 -4.786
196 HD22 ASN 90 2HD2 ASN 90 13.844 2.950 -3.592
197 H GLY 91 H GLY 91 16.238 -0.392 -7.740
198 HA2 GLY 91 2HA GLY 91 17.795 -1.343 -9.308
199 HA3 GLY 91 1HA GLY 91 19.075 -1.057 -8.141
200 H HIS 92 H HIS 92 15.990 -2.377 -7.219
201 HA HIS 92 HA HIS 92 17.289 -4.737 -6.176
202 HB2 HIS 92 2HB HIS 92 14.335 -4.066 -6.258
203 HB3 HIS 92 1HB HIS 92 15.067 -5.366 -5.340
204 HD1 HIS 92 1HD HIS 92 17.437 -3.161 -4.339
205 HD2 HIS 92 2HD HIS 92 13.302 -3.041 -3.872
206 HE1 HIS 92 1HE HIS 92 16.981 -1.635 -2.402
207 H ASN 93 H ASN 93 16.233 -6.889 -6.609
208 HA ASN 93 HA ASN 93 16.136 -7.275 -9.490
209 HB2 ASN 93 2HB ASN 93 16.333 -9.258 -7.216
210 HB3 ASN 93 1HB ASN 93 16.328 -9.700 -8.916
211 HD21 ASN 93 1HD2 ASN 93 18.153 -8.331 -6.325
212 HD22 ASN 93 2HD2 ASN 93 19.658 -8.272 -7.154
213 H VAL 94 H VAL 94 13.911 -6.177 -7.960
214 HA VAL 94 HA VAL 94 11.846 -8.201 -7.985
215 HB VAL 94 HB VAL 94 11.611 -5.204 -7.594
216 HG11 VAL 94 1HG1 VAL 94 9.651 -7.411 -6.959
217 HG12 VAL 94 2HG1 VAL 94 9.495 -6.215 -8.246
218 HG13 VAL 94 3HG1 VAL 94 9.442 -5.706 -6.556
219 HG21 VAL 94 1HG2 VAL 94 13.038 -6.186 -5.889
220 HG22 VAL 94 2HG2 VAL 94 11.803 -7.397 -5.542
221 HG23 VAL 94 3HG2 VAL 94 11.488 -5.699 -5.200
222 H SER 95 H SER 95 10.632 -8.645 -9.712
223 HA SER 95 HA SER 95 11.148 -7.250 -12.135
224 HB2 SER 95 2HB SER 95 10.834 -9.706 -12.081
225 HB3 SER 95 1HB SER 95 9.173 -9.466 -11.542
226 HG SER 95 HG SER 95 9.655 -9.798 -13.863
227 H THR 96 H THR 96 9.597 -6.204 -13.387
228 HA THR 96 HA THR 96 7.822 -4.515 -12.010
229 HB THR 96 HB THR 96 7.328 -3.962 -14.502
230 HG1 THR 96 1HG THR 96 9.052 -4.722 -15.824
231 HG21 THR 96 1HG2 THR 96 10.120 -3.670 -13.348
232 HG22 THR 96 2HG2 THR 96 8.762 -2.596 -13.007
233 HG23 THR 96 3HG2 THR 96 9.434 -2.678 -14.634
234 H ARG 97 H ARG 97 7.640 -7.610 -13.461
235 HA ARG 97 HA ARG 97 4.800 -7.748 -12.934
236 HB2 ARG 97 2HB ARG 97 5.990 -8.509 -15.629
237 HB3 ARG 97 1HB ARG 97 4.352 -8.903 -15.120
238 HG2 ARG 97 2HG ARG 97 3.814 -6.546 -14.952
239 HG3 ARG 97 1HG ARG 97 5.462 -6.122 -15.373
240 HD2 ARG 97 2HD ARG 97 5.149 -7.133 -17.569
241 HD3 ARG 97 1HD ARG 97 3.477 -7.533 -17.143
242 HE ARG 97 HE ARG 97 3.873 -4.839 -16.644
243 HH11 ARG 97 1HH1 ARG 97 3.805 -6.928 -19.503
244 HH12 ARG 97 2HH1 ARG 97 3.187 -5.705 -20.525
245 HH21 ARG 97 1HH2 ARG 97 3.048 -3.185 -18.059
246 HH22 ARG 97 2HH2 ARG 97 2.771 -3.553 -19.696
247 H GLY 98 H GLY 98 5.287 -9.007 -11.202
248 HA2 GLY 98 2HA GLY 98 5.530 -11.744 -11.565
249 HA3 GLY 98 1HA GLY 98 7.121 -11.109 -11.154
250 H ARG 99 H ARG 99 7.386 -11.719 -9.089
251 HA ARG 99 HA ARG 99 5.169 -11.362 -7.213
252 HB2 ARG 99 2HB ARG 99 6.307 -13.574 -7.334
253 HB3 ARG 99 1HB ARG 99 7.805 -12.811 -6.828
254 HG2 ARG 99 2HG ARG 99 6.776 -13.928 -4.951
255 HG3 ARG 99 1HG ARG 99 6.713 -12.178 -4.692
256 HD2 ARG 99 2HD ARG 99 4.397 -12.159 -5.504
257 HD3 ARG 99 1HD ARG 99 4.474 -13.898 -5.756
258 HE ARG 99 HE ARG 99 5.067 -13.072 -3.082
259 HH11 ARG 99 1HH1 ARG 99 2.512 -14.019 -5.342
260 HH12 ARG 99 2HH1 ARG 99 1.381 -14.377 -4.129
261 HH21 ARG 99 1HH2 ARG 99 3.462 -13.525 -1.401
262 HH22 ARG 99 2HH2 ARG 99 1.918 -14.086 -1.867
263 H ILE 100 H ILE 100 5.307 -9.911 -5.502
264 HA ILE 100 HA ILE 100 7.650 -8.161 -5.514
265 HB ILE 100 HB ILE 100 5.009 -7.715 -4.104
266 HG12 ILE 100 2HG1 ILE 100 5.917 -6.529 -6.736
267 HG13 ILE 100 1HG1 ILE 100 4.738 -7.826 -6.597
268 HG21 ILE 100 1HG2 ILE 100 6.908 -6.502 -3.201
269 HG22 ILE 100 2HG2 ILE 100 5.793 -5.383 -3.994
270 HG23 ILE 100 3HG2 ILE 100 7.296 -5.857 -4.796
271 HD11 ILE 100 1HD1 ILE 100 3.251 -6.339 -5.347
272 HD12 ILE 100 2HD1 ILE 100 3.656 -5.660 -6.923
273 HD13 ILE 100 3HD1 ILE 100 4.444 -5.047 -5.469
274 HA PRO 101 HA PRO 101 8.820 -10.218 -1.592
275 HB2 PRO 101 2HB PRO 101 10.709 -7.950 -1.593
276 HB3 PRO 101 1HB PRO 101 11.042 -9.683 -1.455
277 HG2 PRO 101 2HG PRO 101 11.674 -8.425 -3.653
278 HG3 PRO 101 1HG PRO 101 10.964 -10.054 -3.714
279 HD2 PRO 101 2HD PRO 101 9.645 -7.426 -4.242
280 HD3 PRO 101 1HD PRO 101 9.491 -8.975 -5.104
281 H ALA 102 H ALA 102 7.863 -9.982 0.153
282 HA ALA 102 HA ALA 102 6.293 -7.768 0.888
283 HB1 ALA 102 1HB ALA 102 5.888 -10.062 1.697
284 HB2 ALA 102 2HB ALA 102 5.983 -8.905 3.021
285 HB3 ALA 102 3HB ALA 102 7.352 -9.963 2.679
286 H ASP 103 H ASP 103 9.546 -8.687 1.656
287 HA ASP 103 HA ASP 103 10.187 -6.777 3.605
288 HB2 ASP 103 2HB ASP 103 12.484 -6.986 2.488
289 HB3 ASP 103 1HB ASP 103 11.858 -8.430 3.344
290 H VAL 104 H VAL 104 10.211 -6.696 0.124
291 HA VAL 104 HA VAL 104 11.352 -4.096 -0.087
292 HB VAL 104 HB VAL 104 10.065 -6.071 -1.840
293 HG11 VAL 104 1HG1 VAL 104 9.204 -3.880 -2.695
294 HG12 VAL 104 2HG1 VAL 104 10.366 -4.539 -3.843
295 HG13 VAL 104 3HG1 VAL 104 10.850 -3.244 -2.741
296 HG21 VAL 104 1HG2 VAL 104 12.370 -6.353 -1.348
297 HG22 VAL 104 2HG2 VAL 104 12.742 -4.716 -1.889
298 HG23 VAL 104 3HG2 VAL 104 12.217 -5.934 -3.053
299 H ILE 105 H ILE 105 8.111 -5.405 0.002
300 HA ILE 105 HA ILE 105 6.691 -3.033 -0.547
301 HB ILE 105 HB ILE 105 5.859 -5.396 1.169
302 HG12 ILE 105 2HG1 ILE 105 5.329 -4.738 -1.730
303 HG13 ILE 105 1HG1 ILE 105 6.441 -5.957 -1.142
304 HG21 ILE 105 1HG2 ILE 105 4.156 -3.215 -0.050
305 HG22 ILE 105 2HG2 ILE 105 4.470 -3.450 1.673
306 HG23 ILE 105 3HG2 ILE 105 3.548 -4.652 0.769
307 HD11 ILE 105 1HD1 ILE 105 3.450 -5.971 -0.781
308 HD12 ILE 105 2HD1 ILE 105 4.560 -7.217 -0.201
309 HD13 ILE 105 3HD1 ILE 105 4.367 -6.941 -1.933
310 H ASP 106 H ASP 106 7.825 -4.450 2.467
311 HA ASP 106 HA ASP 106 6.846 -2.499 4.245
312 HB2 ASP 106 2HB ASP 106 7.680 -4.560 5.150
313 HB3 ASP 106 1HB ASP 106 9.257 -4.308 4.413
314 H ALA 107 H ALA 107 9.885 -2.807 2.554
315 HA ALA 107 HA ALA 107 11.165 -0.529 3.501
316 HB1 ALA 107 1HB ALA 107 12.248 -2.336 2.235
317 HB2 ALA 107 2HB ALA 107 12.603 -0.748 1.556
318 HB3 ALA 107 3HB ALA 107 11.405 -1.805 0.784
319 H TYR 108 H TYR 108 9.123 -0.969 0.629
320 HA TYR 108 HA TYR 108 9.188 1.659 -0.321
321 HB2 TYR 108 2HB TYR 108 8.354 -0.163 -1.686
322 HB3 TYR 108 1HB TYR 108 7.032 -0.456 -0.573
323 HD1 TYR 108 1HD TYR 108 5.041 0.964 -0.628
324 HD2 TYR 108 2HD TYR 108 8.350 1.764 -3.159
325 HE1 TYR 108 1HE TYR 108 3.651 2.512 -1.941
326 HE2 TYR 108 2HE TYR 108 6.996 3.299 -4.477
327 HH TYR 108 HH TYR 108 3.960 4.399 -3.388
328 H HIS 109 H HIS 109 6.935 0.082 1.885
329 HA HIS 109 HA HIS 109 5.333 2.387 2.243
330 HB2 HIS 109 2HB HIS 109 5.482 -0.247 3.628
331 HB3 HIS 109 1HB HIS 109 4.520 1.041 4.339
332 HD1 HIS 109 1HD HIS 109 2.204 1.344 3.384
333 HD2 HIS 109 2HD HIS 109 4.628 -1.015 0.981
334 HE1 HIS 109 1HE HIS 109 0.709 0.408 1.581
335 H ALA 110 H ALA 110 8.250 1.386 3.746
336 HA ALA 110 HA ALA 110 7.925 3.272 5.908
337 HB1 ALA 110 1HB ALA 110 10.184 2.616 6.558
338 HB2 ALA 110 2HB ALA 110 10.354 1.685 5.070
339 HB3 ALA 110 3HB ALA 110 9.175 1.196 6.287
340 H ALA 111 H ALA 111 9.315 3.126 2.753
341 HA ALA 111 HA ALA 111 10.863 5.525 3.040
342 HB1 ALA 111 1HB ALA 111 10.171 3.951 0.563
343 HB2 ALA 111 2HB ALA 111 11.611 3.728 1.556
344 HB3 ALA 111 3HB ALA 111 11.366 5.241 0.679
345 H ASP 112 H ASP 112 10.527 7.390 1.722
346 HA ASP 112 HA ASP 112 7.766 7.844 0.932
347 HB2 ASP 112 2HB ASP 112 7.972 8.841 3.117
348 HB3 ASP 112 1HB ASP 112 9.479 9.628 2.650
Start of MODEL 5
1 H MET 65 1HT MET 65 -2.023 -9.002 1.105
2 HA MET 65 HA MET 65 -0.612 -8.389 -0.655
3 HB2 MET 65 2HB MET 65 1.058 -10.174 -0.440
4 HB3 MET 65 1HB MET 65 -0.131 -11.367 -0.937
5 HG2 MET 65 2HG MET 65 1.395 -10.851 -2.755
6 HG3 MET 65 1HG MET 65 -0.248 -10.350 -3.150
7 HE1 MET 65 1HE MET 65 1.879 -7.652 -4.987
8 HE2 MET 65 2HE MET 65 0.613 -8.872 -5.141
9 HE3 MET 65 3HE MET 65 2.272 -9.361 -4.805
10 H SER 66 H SER 66 -1.725 -7.865 -2.398
11 HA SER 66 HA SER 66 -3.661 -9.603 -3.568
12 HB2 SER 66 2HB SER 66 -4.894 -8.445 -1.677
13 HB3 SER 66 1HB SER 66 -4.415 -6.900 -2.365
14 HG SER 66 HG SER 66 -6.370 -8.692 -3.165
15 H GLY 67 H GLY 67 -4.509 -8.262 -5.514
16 HA2 GLY 67 2HA GLY 67 -4.206 -6.580 -7.105
17 HA3 GLY 67 1HA GLY 67 -2.758 -6.069 -6.251
18 H SER 68 H SER 68 -3.744 -9.175 -7.608
19 HA SER 68 HA SER 68 -1.288 -9.103 -9.188
20 HB2 SER 68 2HB SER 68 -3.089 -11.452 -8.522
21 HB3 SER 68 1HB SER 68 -1.561 -11.548 -9.400
22 HG SER 68 HG SER 68 -0.461 -11.158 -7.592
23 H GLY 69 H GLY 69 -1.941 -7.815 -10.850
24 HA2 GLY 69 2HA GLY 69 -2.702 -7.749 -13.076
25 HA3 GLY 69 1HA GLY 69 -3.924 -8.951 -12.668
26 H ARG 70 H ARG 70 -3.893 -6.042 -13.771
27 HA ARG 70 HA ARG 70 -5.852 -4.968 -11.887
28 HB2 ARG 70 2HB ARG 70 -4.000 -3.643 -13.809
29 HB3 ARG 70 1HB ARG 70 -5.565 -2.891 -13.558
30 HG2 ARG 70 2HG ARG 70 -3.924 -1.875 -12.109
31 HG3 ARG 70 1HG ARG 70 -5.102 -2.759 -11.148
32 HD2 ARG 70 2HD ARG 70 -3.470 -4.642 -11.027
33 HD3 ARG 70 1HD ARG 70 -2.296 -3.607 -11.842
34 HE ARG 70 HE ARG 70 -3.086 -2.087 -9.751
35 HH11 ARG 70 1HH1 ARG 70 -1.634 -5.259 -10.053
36 HH12 ARG 70 2HH1 ARG 70 -1.158 -5.383 -8.439
37 HH21 ARG 70 1HH2 ARG 70 -2.396 -2.145 -7.580
38 HH22 ARG 70 2HH2 ARG 70 -1.562 -3.503 -6.948
39 H GLY 71 H GLY 71 -7.783 -4.026 -12.679
40 HA2 GLY 71 2HA GLY 71 -8.683 -4.655 -15.326
41 HA3 GLY 71 1HA GLY 71 -9.450 -5.588 -14.031
42 H ARG 72 H ARG 72 -11.208 -4.057 -15.247
43 HA ARG 72 HA ARG 72 -11.099 -1.447 -14.001
44 HB2 ARG 72 2HB ARG 72 -13.210 -2.486 -15.895
45 HB3 ARG 72 1HB ARG 72 -13.066 -0.834 -15.320
46 HG2 ARG 72 2HG ARG 72 -10.708 -0.900 -16.351
47 HG3 ARG 72 1HG ARG 72 -11.293 -2.318 -17.218
48 HD2 ARG 72 2HD ARG 72 -11.596 -0.378 -18.596
49 HD3 ARG 72 1HD ARG 72 -13.183 -0.940 -18.060
50 HE ARG 72 HE ARG 72 -12.620 0.846 -16.189
51 HH11 ARG 72 1HH1 ARG 72 -12.399 1.118 -19.709
52 HH12 ARG 72 2HH1 ARG 72 -12.613 2.801 -19.737
53 HH21 ARG 72 1HH2 ARG 72 -12.897 3.168 -16.227
54 HH22 ARG 72 2HH2 ARG 72 -12.844 3.993 -17.712
55 H GLY 73 H GLY 73 -11.415 -1.601 -12.015
56 HA2 GLY 73 2HA GLY 73 -13.488 -1.540 -10.490
57 HA3 GLY 73 1HA GLY 73 -13.568 -3.252 -10.931
58 H ALA 74 H ALA 74 -10.663 -3.277 -11.252
59 HA ALA 74 HA ALA 74 -9.940 -3.596 -8.463
60 HB1 ALA 74 1HB ALA 74 -7.985 -4.786 -9.334
61 HB2 ALA 74 2HB ALA 74 -8.537 -4.432 -10.983
62 HB3 ALA 74 3HB ALA 74 -9.501 -5.482 -9.933
63 H ILE 75 H ILE 75 -9.895 -1.482 -8.103
64 HA ILE 75 HA ILE 75 -8.281 0.335 -9.624
65 HB ILE 75 HB ILE 75 -9.956 0.729 -7.113
66 HG12 ILE 75 2HG1 ILE 75 -10.681 1.402 -9.951
67 HG13 ILE 75 1HG1 ILE 75 -11.079 -0.147 -9.219
68 HG21 ILE 75 1HG2 ILE 75 -8.283 2.522 -7.455
69 HG22 ILE 75 2HG2 ILE 75 -9.928 3.108 -7.708
70 HG23 ILE 75 3HG2 ILE 75 -8.891 2.759 -9.093
71 HD11 ILE 75 1HD1 ILE 75 -11.981 2.547 -8.249
72 HD12 ILE 75 2HD1 ILE 75 -12.387 0.959 -7.556
73 HD13 ILE 75 3HD1 ILE 75 -12.926 1.374 -9.184
74 H ASP 76 H ASP 76 -6.482 1.438 -8.667
75 HA ASP 76 HA ASP 76 -5.010 -0.338 -7.026
76 HB2 ASP 76 2HB ASP 76 -4.260 2.284 -8.290
77 HB3 ASP 76 1HB ASP 76 -3.165 1.327 -7.286
78 H ARG 77 H ARG 77 -5.842 -0.449 -5.142
79 HA ARG 77 HA ARG 77 -6.164 1.817 -3.376
80 HB2 ARG 77 2HB ARG 77 -7.497 -0.291 -3.153
81 HB3 ARG 77 1HB ARG 77 -6.018 -1.157 -2.784
82 HG2 ARG 77 2HG ARG 77 -5.760 0.213 -0.752
83 HG3 ARG 77 1HG ARG 77 -7.294 1.007 -1.126
84 HD2 ARG 77 2HD ARG 77 -8.417 -1.184 -1.069
85 HD3 ARG 77 1HD ARG 77 -6.890 -1.945 -0.637
86 HE ARG 77 HE ARG 77 -7.755 0.173 1.116
87 HH11 ARG 77 1HH1 ARG 77 -7.842 -3.336 0.522
88 HH12 ARG 77 2HH1 ARG 77 -8.212 -3.727 2.131
89 HH21 ARG 77 1HH2 ARG 77 -8.302 -0.389 3.303
90 HH22 ARG 77 2HH2 ARG 77 -8.478 -2.030 3.751
91 H GLU 78 H GLU 78 -4.072 -0.985 -3.631
92 HA GLU 78 HA GLU 78 -1.896 0.444 -2.314
93 HB2 GLU 78 2HB GLU 78 -2.680 -1.609 -1.211
94 HB3 GLU 78 1HB GLU 78 -2.502 -2.488 -2.712
95 HG2 GLU 78 2HG GLU 78 -0.088 -2.187 -2.600
96 HG3 GLU 78 1HG GLU 78 -0.276 -1.290 -1.087
97 H GLN 79 H GLN 79 -0.372 1.081 -3.736
98 HA GLN 79 HA GLN 79 -0.717 0.250 -6.461
99 HB2 GLN 79 2HB GLN 79 1.044 2.348 -5.289
100 HB3 GLN 79 1HB GLN 79 0.901 2.024 -7.013
101 HG2 GLN 79 2HG GLN 79 -1.547 2.473 -6.829
102 HG3 GLN 79 1HG GLN 79 -1.282 2.973 -5.162
103 HE21 GLN 79 1HE2 GLN 79 -0.231 4.903 -4.774
104 HE22 GLN 79 2HE2 GLN 79 0.025 6.089 -5.988
105 H SER 80 H SER 80 -0.025 -1.800 -6.395
106 HA SER 80 HA SER 80 2.441 -2.773 -5.541
107 HB2 SER 80 2HB SER 80 0.837 -3.849 -7.848
108 HB3 SER 80 1HB SER 80 1.814 -4.747 -6.679
109 HG SER 80 HG SER 80 0.254 -3.909 -5.052
110 H ALA 81 H ALA 81 1.436 -1.323 -8.593
111 HA ALA 81 HA ALA 81 3.674 -2.020 -10.163
112 HB1 ALA 81 1HB ALA 81 2.904 -0.318 -11.717
113 HB2 ALA 81 2HB ALA 81 1.825 0.335 -10.487
114 HB3 ALA 81 3HB ALA 81 1.546 -1.283 -11.136
115 H ALA 82 H ALA 82 2.875 0.840 -8.291
116 HA ALA 82 HA ALA 82 5.141 2.360 -8.935
117 HB1 ALA 82 1HB ALA 82 3.101 3.313 -7.965
118 HB2 ALA 82 2HB ALA 82 4.531 3.740 -7.029
119 HB3 ALA 82 3HB ALA 82 3.440 2.482 -6.448
120 H ILE 83 H ILE 83 4.521 -0.001 -6.432
121 HA ILE 83 HA ILE 83 6.850 0.385 -4.911
122 HB ILE 83 HB ILE 83 5.289 -2.188 -5.348
123 HG12 ILE 83 2HG1 ILE 83 5.101 -0.121 -3.145
124 HG13 ILE 83 1HG1 ILE 83 3.987 -0.250 -4.497
125 HG21 ILE 83 1HG2 ILE 83 7.231 -1.447 -3.145
126 HG22 ILE 83 2HG2 ILE 83 7.525 -2.625 -4.422
127 HG23 ILE 83 3HG2 ILE 83 6.275 -2.930 -3.216
128 HD11 ILE 83 1HD1 ILE 83 3.317 -2.465 -3.706
129 HD12 ILE 83 2HD1 ILE 83 3.038 -1.191 -2.524
130 HD13 ILE 83 3HD1 ILE 83 4.419 -2.285 -2.334
131 H ARG 84 H ARG 84 6.213 -1.688 -7.669
132 HA ARG 84 HA ARG 84 8.746 -2.939 -7.912
133 HB2 ARG 84 2HB ARG 84 6.691 -2.228 -10.000
134 HB3 ARG 84 1HB ARG 84 8.085 -3.251 -10.301
135 HG2 ARG 84 2HG ARG 84 7.236 -4.997 -9.067
136 HG3 ARG 84 1HG ARG 84 6.186 -3.942 -8.120
137 HD2 ARG 84 2HD ARG 84 4.919 -5.307 -9.706
138 HD3 ARG 84 1HD ARG 84 4.741 -3.591 -10.014
139 HE ARG 84 HE ARG 84 6.194 -5.546 -11.631
140 HH11 ARG 84 1HH1 ARG 84 5.320 -2.095 -11.368
141 HH12 ARG 84 2HH1 ARG 84 4.989 -1.915 -13.026
142 HH21 ARG 84 1HH2 ARG 84 5.734 -5.250 -13.905
143 HH22 ARG 84 2HH2 ARG 84 5.301 -3.719 -14.535
144 H GLU 85 H GLU 85 7.409 -0.027 -9.348
145 HA GLU 85 HA GLU 85 9.677 0.597 -10.884
146 HB2 GLU 85 2HB GLU 85 7.319 2.269 -10.032
147 HB3 GLU 85 1HB GLU 85 8.585 2.876 -11.095
148 HG2 GLU 85 2HG GLU 85 8.141 1.156 -12.701
149 HG3 GLU 85 1HG GLU 85 6.970 0.403 -11.629
150 H TRP 86 H TRP 86 8.636 1.770 -7.719
151 HA TRP 86 HA TRP 86 10.802 3.470 -7.197
152 HB2 TRP 86 2HB TRP 86 8.898 3.557 -5.770
153 HB3 TRP 86 1HB TRP 86 8.965 1.833 -5.450
154 HD1 TRP 86 HD TRP 86 10.508 5.159 -4.320
155 HE1 TRP 86 1HE TRP 86 11.746 4.770 -2.096
156 HE3 TRP 86 3HE TRP 86 10.184 0.060 -4.080
157 HZ2 TRP 86 2HZ TRP 86 12.494 2.551 -0.455
158 HZ3 TRP 86 3HZ TRP 86 11.177 -1.100 -2.161
159 HH2 TRP 86 HH TRP 86 12.303 0.130 -0.395
160 H ALA 87 H ALA 87 10.346 0.030 -6.627
161 HA ALA 87 HA ALA 87 12.689 -0.506 -5.230
162 HB1 ALA 87 1HB ALA 87 10.800 -2.032 -5.363
163 HB2 ALA 87 2HB ALA 87 12.281 -2.848 -5.874
164 HB3 ALA 87 3HB ALA 87 11.112 -2.277 -7.073
165 H ARG 88 H ARG 88 12.030 -0.886 -8.668
166 HA ARG 88 HA ARG 88 14.676 -1.654 -9.280
167 HB2 ARG 88 2HB ARG 88 12.431 -0.693 -11.033
168 HB3 ARG 88 1HB ARG 88 13.959 -1.310 -11.656
169 HG2 ARG 88 2HG ARG 88 13.536 -3.458 -10.597
170 HG3 ARG 88 1HG ARG 88 12.044 -2.832 -9.902
171 HD2 ARG 88 2HD ARG 88 11.594 -4.186 -11.872
172 HD3 ARG 88 1HD ARG 88 11.134 -2.508 -12.131
173 HE ARG 88 HE ARG 88 13.314 -2.295 -13.322
174 HH11 ARG 88 1HH1 ARG 88 11.965 -5.526 -13.018
175 HH12 ARG 88 2HH1 ARG 88 12.385 -6.036 -14.585
176 HH21 ARG 88 1HH2 ARG 88 13.912 -2.951 -15.486
177 HH22 ARG 88 2HH2 ARG 88 13.496 -4.508 -16.048
178 H ARG 89 H ARG 89 13.046 1.426 -9.151
179 HA ARG 89 HA ARG 89 14.994 3.022 -10.412
180 HB2 ARG 89 2HB ARG 89 12.723 3.796 -9.861
181 HB3 ARG 89 1HB ARG 89 13.098 3.680 -8.153
182 HG2 ARG 89 2HG ARG 89 14.773 5.441 -8.417
183 HG3 ARG 89 1HG ARG 89 14.349 5.576 -10.128
184 HD2 ARG 89 2HD ARG 89 12.046 6.121 -9.516
185 HD3 ARG 89 1HD ARG 89 12.464 5.984 -7.812
186 HE ARG 89 HE ARG 89 14.188 7.827 -8.682
187 HH11 ARG 89 1HH1 ARG 89 10.687 7.513 -9.080
188 HH12 ARG 89 2HH1 ARG 89 10.355 9.181 -9.066
189 HH21 ARG 89 1HH2 ARG 89 13.754 10.170 -8.663
190 HH22 ARG 89 2HH2 ARG 89 12.166 10.739 -8.842
191 H ASN 90 H ASN 90 14.530 2.038 -7.040
192 HA ASN 90 HA ASN 90 16.784 3.345 -5.962
193 HB2 ASN 90 2HB ASN 90 15.066 1.084 -5.059
194 HB3 ASN 90 1HB ASN 90 16.605 1.311 -4.255
195 HD21 ASN 90 1HD2 ASN 90 13.490 2.622 -4.863
196 HD22 ASN 90 2HD2 ASN 90 13.508 3.789 -3.594
197 H GLY 91 H GLY 91 16.310 0.008 -6.868
198 HA2 GLY 91 2HA GLY 91 18.312 -0.670 -8.349
199 HA3 GLY 91 1HA GLY 91 19.219 -0.343 -6.874
200 H HIS 92 H HIS 92 15.996 -1.711 -6.819
201 HA HIS 92 HA HIS 92 17.129 -4.177 -5.733
202 HB2 HIS 92 2HB HIS 92 14.204 -3.384 -5.824
203 HB3 HIS 92 1HB HIS 92 14.937 -4.616 -4.816
204 HD1 HIS 92 1HD HIS 92 17.234 -2.426 -3.743
205 HD2 HIS 92 2HD HIS 92 13.089 -2.116 -3.650
206 HE1 HIS 92 1HE HIS 92 16.666 -0.626 -2.046
207 H ASN 93 H ASN 93 16.687 -6.111 -6.826
208 HA ASN 93 HA ASN 93 15.916 -5.671 -9.598
209 HB2 ASN 93 2HB ASN 93 17.097 -8.178 -8.359
210 HB3 ASN 93 1HB ASN 93 16.836 -7.896 -10.075
211 HD21 ASN 93 1HD2 ASN 93 18.205 -6.416 -11.166
212 HD22 ASN 93 2HD2 ASN 93 19.713 -5.947 -10.488
213 H VAL 94 H VAL 94 13.749 -5.441 -9.374
214 HA VAL 94 HA VAL 94 12.275 -7.819 -8.501
215 HB VAL 94 HB VAL 94 11.244 -4.979 -8.888
216 HG11 VAL 94 1HG1 VAL 94 9.850 -7.398 -7.734
217 HG12 VAL 94 2HG1 VAL 94 9.496 -6.649 -9.289
218 HG13 VAL 94 3HG1 VAL 94 9.194 -5.763 -7.792
219 HG21 VAL 94 1HG2 VAL 94 11.066 -4.913 -6.441
220 HG22 VAL 94 2HG2 VAL 94 12.732 -5.147 -6.969
221 HG23 VAL 94 3HG2 VAL 94 11.805 -6.512 -6.352
222 H SER 95 H SER 95 11.130 -8.945 -9.925
223 HA SER 95 HA SER 95 11.535 -8.633 -12.683
224 HB2 SER 95 2HB SER 95 11.217 -10.809 -11.615
225 HB3 SER 95 1HB SER 95 9.590 -10.349 -11.126
226 HG SER 95 HG SER 95 8.983 -11.102 -12.888
227 H THR 96 H THR 96 9.797 -8.450 -14.287
228 HA THR 96 HA THR 96 8.226 -6.147 -13.923
229 HB THR 96 HB THR 96 7.225 -6.925 -16.155
230 HG1 THR 96 1HG THR 96 8.894 -8.619 -17.010
231 HG21 THR 96 1HG2 THR 96 9.105 -5.333 -16.022
232 HG22 THR 96 2HG2 THR 96 9.301 -6.417 -17.397
233 HG23 THR 96 3HG2 THR 96 10.237 -6.682 -15.924
234 H ARG 97 H ARG 97 7.472 -9.589 -14.119
235 HA ARG 97 HA ARG 97 5.183 -9.144 -12.390
236 HB2 ARG 97 2HB ARG 97 5.177 -10.775 -14.915
237 HB3 ARG 97 1HB ARG 97 4.050 -11.093 -13.611
238 HG2 ARG 97 2HG ARG 97 3.245 -8.765 -13.831
239 HG3 ARG 97 1HG ARG 97 4.287 -8.587 -15.247
240 HD2 ARG 97 2HD ARG 97 3.148 -10.399 -16.357
241 HD3 ARG 97 1HD ARG 97 2.162 -10.694 -14.927
242 HE ARG 97 HE ARG 97 1.963 -8.037 -15.947
243 HH11 ARG 97 1HH1 ARG 97 0.675 -11.324 -16.185
244 HH12 ARG 97 2HH1 ARG 97 -0.804 -10.856 -16.897
245 HH21 ARG 97 1HH2 ARG 97 -0.014 -7.388 -16.920
246 HH22 ARG 97 2HH2 ARG 97 -1.223 -8.554 -17.303
247 H GLY 98 H GLY 98 4.619 -10.982 -11.138
248 HA2 GLY 98 2HA GLY 98 5.458 -13.438 -10.921
249 HA3 GLY 98 1HA GLY 98 6.948 -12.589 -10.499
250 H ARG 99 H ARG 99 7.152 -12.728 -8.375
251 HA ARG 99 HA ARG 99 4.790 -12.036 -6.795
252 HB2 ARG 99 2HB ARG 99 7.211 -13.668 -5.988
253 HB3 ARG 99 1HB ARG 99 6.048 -13.049 -4.835
254 HG2 ARG 99 2HG ARG 99 5.479 -15.307 -5.184
255 HG3 ARG 99 1HG ARG 99 4.298 -14.371 -6.091
256 HD2 ARG 99 2HD ARG 99 5.559 -14.775 -8.144
257 HD3 ARG 99 1HD ARG 99 6.739 -15.714 -7.233
258 HE ARG 99 HE ARG 99 4.075 -16.640 -6.896
259 HH11 ARG 99 1HH1 ARG 99 6.958 -16.885 -8.923
260 HH12 ARG 99 2HH1 ARG 99 6.514 -18.348 -9.667
261 HH21 ARG 99 1HH2 ARG 99 3.438 -18.663 -7.902
262 HH22 ARG 99 2HH2 ARG 99 4.423 -19.397 -9.063
263 H ILE 100 H ILE 100 4.931 -10.373 -5.396
264 HA ILE 100 HA ILE 100 7.332 -8.744 -5.704
265 HB ILE 100 HB ILE 100 4.577 -7.940 -4.697
266 HG12 ILE 100 2HG1 ILE 100 5.950 -7.294 -7.323
267 HG13 ILE 100 1HG1 ILE 100 4.651 -8.463 -7.131
268 HG21 ILE 100 1HG2 ILE 100 5.445 -5.632 -4.802
269 HG22 ILE 100 2HG2 ILE 100 7.023 -6.256 -5.288
270 HG23 ILE 100 3HG2 ILE 100 6.381 -6.635 -3.689
271 HD11 ILE 100 1HD1 ILE 100 3.835 -6.368 -8.042
272 HD12 ILE 100 2HD1 ILE 100 4.461 -5.500 -6.641
273 HD13 ILE 100 3HD1 ILE 100 3.147 -6.660 -6.446
274 HA PRO 101 HA PRO 101 8.355 -10.214 -1.574
275 HB2 PRO 101 2HB PRO 101 10.163 -7.872 -1.710
276 HB3 PRO 101 1HB PRO 101 10.556 -9.565 -1.355
277 HG2 PRO 101 2HG PRO 101 11.239 -8.519 -3.667
278 HG3 PRO 101 1HG PRO 101 10.630 -10.183 -3.559
279 HD2 PRO 101 2HD PRO 101 9.232 -7.734 -4.521
280 HD3 PRO 101 1HD PRO 101 9.150 -9.410 -5.110
281 H ALA 102 H ALA 102 7.112 -9.808 0.013
282 HA ALA 102 HA ALA 102 5.716 -7.437 0.545
283 HB1 ALA 102 1HB ALA 102 5.033 -9.629 1.429
284 HB2 ALA 102 2HB ALA 102 5.202 -8.445 2.727
285 HB3 ALA 102 3HB ALA 102 6.458 -9.651 2.469
286 H ASP 103 H ASP 103 8.814 -8.600 1.491
287 HA ASP 103 HA ASP 103 9.465 -6.680 3.438
288 HB2 ASP 103 2HB ASP 103 10.790 -8.688 3.205
289 HB3 ASP 103 1HB ASP 103 11.207 -8.248 1.552
290 H VAL 104 H VAL 104 9.736 -6.676 -0.071
291 HA VAL 104 HA VAL 104 11.089 -4.155 -0.171
292 HB VAL 104 HB VAL 104 9.721 -5.848 -2.276
293 HG11 VAL 104 1HG1 VAL 104 9.254 -3.552 -2.895
294 HG12 VAL 104 2HG1 VAL 104 10.476 -4.215 -3.991
295 HG13 VAL 104 3HG1 VAL 104 10.950 -3.104 -2.694
296 HG21 VAL 104 1HG2 VAL 104 11.986 -5.985 -3.198
297 HG22 VAL 104 2HG2 VAL 104 11.950 -6.514 -1.514
298 HG23 VAL 104 3HG2 VAL 104 12.565 -4.915 -1.924
299 H ILE 105 H ILE 105 7.792 -5.230 -0.318
300 HA ILE 105 HA ILE 105 6.557 -2.780 -0.892
301 HB ILE 105 HB ILE 105 5.553 -5.169 0.680
302 HG12 ILE 105 2HG1 ILE 105 5.134 -4.321 -2.187
303 HG13 ILE 105 1HG1 ILE 105 6.223 -5.580 -1.657
304 HG21 ILE 105 1HG2 ILE 105 4.216 -3.218 1.277
305 HG22 ILE 105 2HG2 ILE 105 3.276 -4.315 0.263
306 HG23 ILE 105 3HG2 ILE 105 3.955 -2.843 -0.425
307 HD11 ILE 105 1HD1 ILE 105 4.282 -6.878 -0.829
308 HD12 ILE 105 2HD1 ILE 105 4.156 -6.516 -2.549
309 HD13 ILE 105 3HD1 ILE 105 3.217 -5.585 -1.383
310 H ASP 106 H ASP 106 7.379 -4.301 2.192
311 HA ASP 106 HA ASP 106 6.422 -2.213 3.857
312 HB2 ASP 106 2HB ASP 106 7.033 -4.524 4.630
313 HB3 ASP 106 1HB ASP 106 8.723 -4.089 4.437
314 H ALA 107 H ALA 107 9.514 -2.854 2.351
315 HA ALA 107 HA ALA 107 11.002 -0.752 3.421
316 HB1 ALA 107 1HB ALA 107 12.471 -1.040 1.489
317 HB2 ALA 107 2HB ALA 107 11.194 -1.928 0.657
318 HB3 ALA 107 3HB ALA 107 11.938 -2.615 2.091
319 H TYR 108 H TYR 108 8.959 -0.908 0.561
320 HA TYR 108 HA TYR 108 9.288 1.684 -0.440
321 HB2 TYR 108 2HB TYR 108 8.226 -0.064 -1.734
322 HB3 TYR 108 1HB TYR 108 6.937 -0.217 -0.554
323 HD1 TYR 108 1HD TYR 108 5.020 1.218 -0.649
324 HD2 TYR 108 2HD TYR 108 8.355 1.945 -3.165
325 HE1 TYR 108 1HE TYR 108 3.684 2.821 -1.946
326 HE2 TYR 108 2HE TYR 108 7.036 3.545 -4.466
327 HH TYR 108 HH TYR 108 4.089 4.726 -3.368
328 H HIS 109 H HIS 109 6.927 0.353 1.783
329 HA HIS 109 HA HIS 109 5.618 2.837 2.177
330 HB2 HIS 109 2HB HIS 109 5.342 0.161 3.494
331 HB3 HIS 109 1HB HIS 109 4.452 1.544 4.098
332 HD1 HIS 109 1HD HIS 109 2.389 2.306 2.689
333 HD2 HIS 109 2HD HIS 109 4.582 -0.762 0.952
334 HE1 HIS 109 1HE HIS 109 1.002 1.441 0.772
335 H ALA 110 H ALA 110 8.377 1.442 3.613
336 HA ALA 110 HA ALA 110 8.173 3.152 5.946
337 HB1 ALA 110 1HB ALA 110 10.402 1.282 5.156
338 HB2 ALA 110 2HB ALA 110 9.040 0.871 6.197
339 HB3 ALA 110 3HB ALA 110 10.212 2.086 6.716
340 H ALA 111 H ALA 111 10.036 2.977 2.952
341 HA ALA 111 HA ALA 111 11.917 4.984 3.697
342 HB1 ALA 111 1HB ALA 111 12.562 4.997 1.346
343 HB2 ALA 111 2HB ALA 111 11.162 3.995 0.952
344 HB3 ALA 111 3HB ALA 111 12.448 3.357 1.972
345 H ASP 112 H ASP 112 11.975 7.102 3.255
346 HA ASP 112 HA ASP 112 9.497 8.286 2.282
347 HB2 ASP 112 2HB ASP 112 10.109 9.037 4.531
348 HB3 ASP 112 1HB ASP 112 11.708 9.492 3.952
Start of MODEL 6
1 H MET 65 1HT MET 65 1.184 25.016 -19.168
2 HA MET 65 HA MET 65 3.064 26.457 -17.424
3 HB2 MET 65 2HB MET 65 1.124 27.852 -18.219
4 HB3 MET 65 1HB MET 65 0.024 26.636 -17.608
5 HG2 MET 65 2HG MET 65 1.942 28.176 -15.863
6 HG3 MET 65 1HG MET 65 0.309 28.720 -16.219
7 HE1 MET 65 1HE MET 65 -0.090 28.910 -13.589
8 HE2 MET 65 2HE MET 65 1.541 28.309 -13.282
9 HE3 MET 65 3HE MET 65 0.162 27.578 -12.459
10 H SER 66 H SER 66 3.461 25.383 -15.562
11 HA SER 66 HA SER 66 2.535 22.711 -15.401
12 HB2 SER 66 2HB SER 66 4.217 24.300 -13.456
13 HB3 SER 66 1HB SER 66 3.996 22.547 -13.443
14 HG SER 66 HG SER 66 4.693 23.311 -15.894
15 H GLY 67 H GLY 67 0.381 22.793 -15.135
16 HA2 GLY 67 2HA GLY 67 -0.716 24.032 -12.747
17 HA3 GLY 67 1HA GLY 67 -1.630 23.289 -14.058
18 H SER 68 H SER 68 0.467 22.611 -11.348
19 HA SER 68 HA SER 68 0.075 19.822 -11.352
20 HB2 SER 68 2HB SER 68 0.824 21.643 -9.062
21 HB3 SER 68 1HB SER 68 1.175 19.919 -9.214
22 HG SER 68 HG SER 68 2.461 20.390 -11.001
23 H GLY 69 H GLY 69 -1.884 18.951 -11.041
24 HA2 GLY 69 2HA GLY 69 -3.447 19.838 -8.790
25 HA3 GLY 69 1HA GLY 69 -4.216 19.903 -10.380
26 H ARG 70 H ARG 70 -5.174 18.281 -8.341
27 HA ARG 70 HA ARG 70 -4.384 15.630 -9.334
28 HB2 ARG 70 2HB ARG 70 -3.870 16.266 -6.882
29 HB3 ARG 70 1HB ARG 70 -5.603 16.153 -6.636
30 HG2 ARG 70 2HG ARG 70 -4.856 14.057 -5.977
31 HG3 ARG 70 1HG ARG 70 -5.355 13.786 -7.646
32 HD2 ARG 70 2HD ARG 70 -2.526 14.259 -6.683
33 HD3 ARG 70 1HD ARG 70 -3.193 12.711 -7.175
34 HE ARG 70 HE ARG 70 -3.521 13.946 -9.414
35 HH11 ARG 70 1HH1 ARG 70 -0.739 14.257 -7.255
36 HH12 ARG 70 2HH1 ARG 70 0.320 14.796 -8.454
37 HH21 ARG 70 1HH2 ARG 70 -2.069 14.693 -11.076
38 HH22 ARG 70 2HH2 ARG 70 -0.463 15.073 -10.712
39 H GLY 71 H GLY 71 -6.089 14.276 -9.895
40 HA2 GLY 71 2HA GLY 71 -8.787 15.391 -9.562
41 HA3 GLY 71 1HA GLY 71 -8.263 14.651 -11.071
42 H ARG 72 H ARG 72 -8.906 14.056 -7.687
43 HA ARG 72 HA ARG 72 -8.755 11.213 -8.093
44 HB2 ARG 72 2HB ARG 72 -9.273 12.849 -5.623
45 HB3 ARG 72 1HB ARG 72 -9.373 11.095 -5.640
46 HG2 ARG 72 2HG ARG 72 -7.043 10.935 -6.297
47 HG3 ARG 72 1HG ARG 72 -6.926 12.690 -6.366
48 HD2 ARG 72 2HD ARG 72 -5.970 11.779 -4.295
49 HD3 ARG 72 1HD ARG 72 -7.337 12.839 -3.978
50 HE ARG 72 HE ARG 72 -8.653 10.673 -3.804
51 HH11 ARG 72 1HH1 ARG 72 -5.193 10.745 -2.963
52 HH12 ARG 72 2HH1 ARG 72 -5.369 9.621 -1.700
53 HH21 ARG 72 1HH2 ARG 72 -8.832 9.149 -2.044
54 HH22 ARG 72 2HH2 ARG 72 -7.434 8.738 -1.146
55 H GLY 73 H GLY 73 -10.381 10.737 -9.497
56 HA2 GLY 73 2HA GLY 73 -13.119 11.026 -8.511
57 HA3 GLY 73 1HA GLY 73 -12.639 10.436 -10.106
58 H ALA 74 H ALA 74 -10.503 8.966 -8.544
59 HA ALA 74 HA ALA 74 -12.081 6.729 -7.534
60 HB1 ALA 74 1HB ALA 74 -11.115 6.129 -9.714
61 HB2 ALA 74 2HB ALA 74 -10.281 5.260 -8.421
62 HB3 ALA 74 3HB ALA 74 -9.529 6.671 -9.167
63 H ILE 75 H ILE 75 -10.833 5.536 -5.908
64 HA ILE 75 HA ILE 75 -9.422 7.481 -4.306
65 HB ILE 75 HB ILE 75 -10.381 4.711 -3.540
66 HG12 ILE 75 2HG1 ILE 75 -11.688 7.406 -3.038
67 HG13 ILE 75 1HG1 ILE 75 -12.226 6.232 -4.229
68 HG21 ILE 75 1HG2 ILE 75 -9.511 7.062 -1.854
69 HG22 ILE 75 2HG2 ILE 75 -8.582 5.590 -2.125
70 HG23 ILE 75 3HG2 ILE 75 -10.112 5.518 -1.238
71 HD11 ILE 75 1HD1 ILE 75 -12.185 5.832 -1.248
72 HD12 ILE 75 2HD1 ILE 75 -12.735 4.656 -2.447
73 HD13 ILE 75 3HD1 ILE 75 -13.604 6.174 -2.240
74 H ASP 76 H ASP 76 -7.313 7.357 -3.935
75 HA ASP 76 HA ASP 76 -5.783 5.347 -5.338
76 HB2 ASP 76 2HB ASP 76 -5.053 7.649 -5.566
77 HB3 ASP 76 1HB ASP 76 -4.923 7.816 -3.821
78 H ARG 77 H ARG 77 -5.399 3.506 -4.384
79 HA ARG 77 HA ARG 77 -4.383 3.378 -1.637
80 HB2 ARG 77 2HB ARG 77 -6.624 1.645 -2.685
81 HB3 ARG 77 1HB ARG 77 -5.787 1.424 -1.168
82 HG2 ARG 77 2HG ARG 77 -6.703 3.424 -0.322
83 HG3 ARG 77 1HG ARG 77 -7.483 3.767 -1.888
84 HD2 ARG 77 2HD ARG 77 -8.701 1.626 -1.684
85 HD3 ARG 77 1HD ARG 77 -7.990 1.402 -0.093
86 HE ARG 77 HE ARG 77 -9.140 3.573 0.452
87 HH11 ARG 77 1HH1 ARG 77 -10.430 1.366 -1.994
88 HH12 ARG 77 2HH1 ARG 77 -12.059 1.691 -1.641
89 HH21 ARG 77 1HH2 ARG 77 -11.358 4.047 0.915
90 HH22 ARG 77 2HH2 ARG 77 -12.604 3.241 0.045
91 H GLU 78 H GLU 78 -2.823 1.781 -1.566
92 HA GLU 78 HA GLU 78 -1.559 0.019 -2.118
93 HB2 GLU 78 2HB GLU 78 -3.623 -1.191 -1.806
94 HB3 GLU 78 1HB GLU 78 -4.175 -0.783 -3.394
95 HG2 GLU 78 2HG GLU 78 -1.727 -2.490 -3.045
96 HG3 GLU 78 1HG GLU 78 -3.336 -3.198 -2.903
97 H GLN 79 H GLN 79 0.090 0.794 -3.323
98 HA GLN 79 HA GLN 79 -0.463 1.024 -6.184
99 HB2 GLN 79 2HB GLN 79 1.617 2.500 -4.610
100 HB3 GLN 79 1HB GLN 79 1.359 2.613 -6.345
101 HG2 GLN 79 2HG GLN 79 -0.937 3.483 -5.872
102 HG3 GLN 79 1HG GLN 79 -0.504 3.526 -4.162
103 HE21 GLN 79 1HE2 GLN 79 -1.247 5.728 -5.833
104 HE22 GLN 79 2HE2 GLN 79 0.089 6.809 -5.855
105 H SER 80 H SER 80 -0.051 -1.226 -6.235
106 HA SER 80 HA SER 80 2.420 -2.370 -5.555
107 HB2 SER 80 2HB SER 80 0.455 -3.328 -7.640
108 HB3 SER 80 1HB SER 80 1.809 -4.265 -7.015
109 HG SER 80 HG SER 80 -0.416 -3.264 -5.579
110 H ALA 81 H ALA 81 1.427 -0.808 -8.578
111 HA ALA 81 HA ALA 81 3.763 -1.588 -9.977
112 HB1 ALA 81 1HB ALA 81 1.989 0.793 -10.579
113 HB2 ALA 81 2HB ALA 81 1.713 -0.849 -11.157
114 HB3 ALA 81 3HB ALA 81 3.148 0.033 -11.668
115 H ALA 82 H ALA 82 2.864 1.291 -8.165
116 HA ALA 82 HA ALA 82 5.216 2.736 -8.622
117 HB1 ALA 82 1HB ALA 82 4.606 4.085 -6.715
118 HB2 ALA 82 2HB ALA 82 3.492 2.840 -6.159
119 HB3 ALA 82 3HB ALA 82 3.162 3.710 -7.659
120 H ILE 83 H ILE 83 4.481 0.246 -6.244
121 HA ILE 83 HA ILE 83 6.841 0.445 -4.715
122 HB ILE 83 HB ILE 83 5.247 -2.075 -5.344
123 HG12 ILE 83 2HG1 ILE 83 5.094 -0.237 -2.941
124 HG13 ILE 83 1HG1 ILE 83 3.926 -0.279 -4.255
125 HG21 ILE 83 1HG2 ILE 83 7.482 -2.611 -4.517
126 HG22 ILE 83 2HG2 ILE 83 6.265 -3.008 -3.304
127 HG23 ILE 83 3HG2 ILE 83 7.241 -1.545 -3.131
128 HD11 ILE 83 1HD1 ILE 83 4.530 -2.517 -2.334
129 HD12 ILE 83 2HD1 ILE 83 3.361 -2.588 -3.650
130 HD13 ILE 83 3HD1 ILE 83 3.109 -1.471 -2.309
131 H ARG 84 H ARG 84 6.073 -1.437 -7.602
132 HA ARG 84 HA ARG 84 8.544 -2.773 -7.942
133 HB2 ARG 84 2HB ARG 84 6.709 -1.815 -10.138
134 HB3 ARG 84 1HB ARG 84 7.907 -3.088 -10.260
135 HG2 ARG 84 2HG ARG 84 6.610 -4.499 -8.807
136 HG3 ARG 84 1HG ARG 84 5.458 -3.190 -8.522
137 HD2 ARG 84 2HD ARG 84 5.085 -3.147 -11.018
138 HD3 ARG 84 1HD ARG 84 5.990 -4.654 -11.092
139 HE ARG 84 HE ARG 84 4.285 -5.545 -9.527
140 HH11 ARG 84 1HH1 ARG 84 3.516 -2.980 -11.874
141 HH12 ARG 84 2HH1 ARG 84 1.845 -3.242 -11.799
142 HH21 ARG 84 1HH2 ARG 84 1.923 -5.890 -9.477
143 HH22 ARG 84 2HH2 ARG 84 0.927 -4.904 -10.434
144 H GLU 85 H GLU 85 7.329 0.301 -9.080
145 HA GLU 85 HA GLU 85 9.564 0.900 -10.700
146 HB2 GLU 85 2HB GLU 85 7.522 2.832 -9.603
147 HB3 GLU 85 1HB GLU 85 8.634 3.140 -10.929
148 HG2 GLU 85 2HG GLU 85 6.368 1.164 -10.876
149 HG3 GLU 85 1HG GLU 85 6.469 2.645 -11.823
150 H TRP 86 H TRP 86 8.688 1.748 -7.431
151 HA TRP 86 HA TRP 86 10.893 3.416 -6.883
152 HB2 TRP 86 2HB TRP 86 8.987 3.370 -5.405
153 HB3 TRP 86 1HB TRP 86 9.171 1.647 -5.142
154 HD1 TRP 86 HD TRP 86 10.582 5.014 -4.014
155 HE1 TRP 86 1HE TRP 86 11.932 4.656 -1.868
156 HE3 TRP 86 3HE TRP 86 10.510 -0.050 -3.916
157 HZ2 TRP 86 2HZ TRP 86 12.861 2.447 -0.310
158 HZ3 TRP 86 3HZ TRP 86 11.647 -1.233 -2.104
159 HH2 TRP 86 HH TRP 86 12.798 -0.007 -0.318
160 H ALA 87 H ALA 87 10.366 -0.036 -6.593
161 HA ALA 87 HA ALA 87 12.862 -0.705 -5.524
162 HB1 ALA 87 1HB ALA 87 12.299 -2.996 -6.252
163 HB2 ALA 87 2HB ALA 87 10.957 -2.333 -7.194
164 HB3 ALA 87 3HB ALA 87 10.950 -2.196 -5.441
165 H ARG 88 H ARG 88 11.735 -0.426 -8.891
166 HA ARG 88 HA ARG 88 14.274 -1.206 -9.960
167 HB2 ARG 88 2HB ARG 88 11.958 0.192 -11.354
168 HB3 ARG 88 1HB ARG 88 13.404 -0.374 -12.175
169 HG2 ARG 88 2HG ARG 88 12.828 -2.688 -11.278
170 HG3 ARG 88 1HG ARG 88 11.264 -2.007 -10.844
171 HD2 ARG 88 2HD ARG 88 12.422 -2.025 -13.638
172 HD3 ARG 88 1HD ARG 88 11.298 -3.220 -13.022
173 HE ARG 88 HE ARG 88 10.034 -0.764 -12.715
174 HH11 ARG 88 1HH1 ARG 88 11.251 -2.731 -15.418
175 HH12 ARG 88 2HH1 ARG 88 10.172 -2.083 -16.554
176 HH21 ARG 88 1HH2 ARG 88 8.580 0.130 -14.284
177 HH22 ARG 88 2HH2 ARG 88 8.603 -0.409 -15.899
178 H ARG 89 H ARG 89 12.804 1.806 -9.109
179 HA ARG 89 HA ARG 89 14.504 3.745 -10.151
180 HB2 ARG 89 2HB ARG 89 12.385 4.111 -8.929
181 HB3 ARG 89 1HB ARG 89 13.146 3.581 -7.455
182 HG2 ARG 89 2HG ARG 89 14.615 5.585 -7.568
183 HG3 ARG 89 1HG ARG 89 13.692 6.116 -8.983
184 HD2 ARG 89 2HD ARG 89 11.611 5.974 -7.645
185 HD3 ARG 89 1HD ARG 89 12.570 5.549 -6.237
186 HE ARG 89 HE ARG 89 13.162 8.066 -7.553
187 HH11 ARG 89 1HH1 ARG 89 11.663 6.434 -4.790
188 HH12 ARG 89 2HH1 ARG 89 11.395 7.875 -3.917
189 HH21 ARG 89 1HH2 ARG 89 12.792 10.026 -6.312
190 HH22 ARG 89 2HH2 ARG 89 12.043 9.911 -4.782
191 H ASN 90 H ASN 90 14.687 1.896 -7.179
192 HA ASN 90 HA ASN 90 17.313 2.837 -6.470
193 HB2 ASN 90 2HB ASN 90 15.486 0.730 -5.373
194 HB3 ASN 90 1HB ASN 90 17.102 0.881 -4.737
195 HD21 ASN 90 1HD2 ASN 90 13.924 2.136 -4.821
196 HD22 ASN 90 2HD2 ASN 90 14.154 3.406 -3.690
197 H GLY 91 H GLY 91 16.003 -0.296 -7.406
198 HA2 GLY 91 2HA GLY 91 17.174 -1.511 -9.190
199 HA3 GLY 91 1HA GLY 91 18.676 -1.033 -8.399
200 H HIS 92 H HIS 92 15.623 -2.294 -7.145
201 HA HIS 92 HA HIS 92 17.137 -4.250 -5.606
202 HB2 HIS 92 2HB HIS 92 14.176 -3.570 -5.471
203 HB3 HIS 92 1HB HIS 92 15.012 -4.683 -4.401
204 HD1 HIS 92 1HD HIS 92 17.406 -2.977 -3.514
205 HD2 HIS 92 2HD HIS 92 13.542 -1.514 -3.868
206 HE1 HIS 92 1HE HIS 92 17.302 -0.898 -2.085
207 H ASN 93 H ASN 93 16.096 -6.469 -5.487
208 HA ASN 93 HA ASN 93 15.814 -7.424 -8.180
209 HB2 ASN 93 2HB ASN 93 15.652 -8.962 -5.566
210 HB3 ASN 93 1HB ASN 93 15.666 -9.681 -7.170
211 HD21 ASN 93 1HD2 ASN 93 17.609 -9.809 -8.297
212 HD22 ASN 93 2HD2 ASN 93 19.115 -9.445 -7.570
213 H VAL 94 H VAL 94 13.949 -6.617 -8.937
214 HA VAL 94 HA VAL 94 11.453 -7.004 -7.517
215 HB VAL 94 HB VAL 94 11.819 -5.979 -10.331
216 HG11 VAL 94 1HG1 VAL 94 9.545 -6.606 -9.807
217 HG12 VAL 94 2HG1 VAL 94 9.673 -4.856 -9.952
218 HG13 VAL 94 3HG1 VAL 94 9.573 -5.601 -8.359
219 HG21 VAL 94 1HG2 VAL 94 11.755 -3.712 -9.387
220 HG22 VAL 94 2HG2 VAL 94 13.175 -4.619 -8.859
221 HG23 VAL 94 3HG2 VAL 94 11.802 -4.407 -7.768
222 H SER 95 H SER 95 12.858 -7.945 -10.625
223 HA SER 95 HA SER 95 12.390 -9.475 -12.139
224 HB2 SER 95 2HB SER 95 11.263 -11.093 -9.829
225 HB3 SER 95 1HB SER 95 11.767 -11.736 -11.397
226 HG SER 95 HG SER 95 13.671 -10.214 -10.230
227 H THR 96 H THR 96 11.007 -7.869 -12.874
228 HA THR 96 HA THR 96 8.336 -7.563 -12.312
229 HB THR 96 HB THR 96 8.301 -6.527 -14.685
230 HG1 THR 96 1HG THR 96 10.630 -7.766 -14.770
231 HG21 THR 96 1HG2 THR 96 8.446 -5.231 -12.597
232 HG22 THR 96 2HG2 THR 96 9.489 -4.539 -13.840
233 HG23 THR 96 3HG2 THR 96 10.187 -5.509 -12.543
234 H ARG 97 H ARG 97 7.103 -9.252 -12.264
235 HA ARG 97 HA ARG 97 6.131 -10.345 -14.759
236 HB2 ARG 97 2HB ARG 97 7.096 -12.067 -12.469
237 HB3 ARG 97 1HB ARG 97 5.999 -12.654 -13.707
238 HG2 ARG 97 2HG ARG 97 7.736 -12.270 -15.381
239 HG3 ARG 97 1HG ARG 97 8.812 -11.679 -14.113
240 HD2 ARG 97 2HD ARG 97 7.602 -14.435 -14.245
241 HD3 ARG 97 1HD ARG 97 9.250 -14.035 -14.685
242 HE ARG 97 HE ARG 97 8.094 -14.023 -12.008
243 HH11 ARG 97 1HH1 ARG 97 10.930 -13.706 -14.096
244 HH12 ARG 97 2HH1 ARG 97 12.078 -14.008 -12.882
245 HH21 ARG 97 1HH2 ARG 97 9.648 -14.471 -10.310
246 HH22 ARG 97 2HH2 ARG 97 11.316 -14.468 -10.628
247 H GLY 98 H GLY 98 5.664 -11.431 -11.426
248 HA2 GLY 98 2HA GLY 98 3.337 -9.771 -11.079
249 HA3 GLY 98 1HA GLY 98 2.990 -11.480 -11.306
250 H ARG 99 H ARG 99 5.797 -10.140 -9.675
251 HA ARG 99 HA ARG 99 4.727 -10.895 -7.100
252 HB2 ARG 99 2HB ARG 99 6.721 -12.278 -6.530
253 HB3 ARG 99 1HB ARG 99 5.696 -12.990 -7.759
254 HG2 ARG 99 2HG ARG 99 7.848 -13.416 -8.448
255 HG3 ARG 99 1HG ARG 99 7.346 -12.059 -9.453
256 HD2 ARG 99 2HD ARG 99 9.588 -11.669 -8.753
257 HD3 ARG 99 1HD ARG 99 8.552 -10.554 -7.872
258 HE ARG 99 HE ARG 99 8.783 -12.719 -6.223
259 HH11 ARG 99 1HH1 ARG 99 11.029 -10.329 -7.572
260 HH12 ARG 99 2HH1 ARG 99 12.249 -10.645 -6.429
261 HH21 ARG 99 1HH2 ARG 99 10.372 -13.071 -4.649
262 HH22 ARG 99 2HH2 ARG 99 11.861 -12.223 -4.673
263 H ILE 100 H ILE 100 5.867 -10.004 -5.324
264 HA ILE 100 HA ILE 100 8.057 -8.179 -5.916
265 HB ILE 100 HB ILE 100 5.616 -7.303 -4.307
266 HG12 ILE 100 2HG1 ILE 100 6.516 -6.279 -7.021
267 HG13 ILE 100 1HG1 ILE 100 5.122 -7.315 -6.729
268 HG21 ILE 100 1HG2 ILE 100 6.730 -5.111 -4.218
269 HG22 ILE 100 2HG2 ILE 100 8.098 -5.785 -5.107
270 HG23 ILE 100 3HG2 ILE 100 7.711 -6.393 -3.498
271 HD11 ILE 100 1HD1 ILE 100 5.477 -4.501 -5.705
272 HD12 ILE 100 2HD1 ILE 100 4.074 -5.533 -5.421
273 HD13 ILE 100 3HD1 ILE 100 4.454 -4.993 -7.053
274 HA PRO 101 HA PRO 101 9.341 -10.154 -1.998
275 HB2 PRO 101 2HB PRO 101 11.018 -7.712 -1.871
276 HB3 PRO 101 1HB PRO 101 11.516 -9.411 -1.746
277 HG2 PRO 101 2HG PRO 101 12.090 -8.051 -3.914
278 HG3 PRO 101 1HG PRO 101 11.554 -9.740 -4.017
279 HD2 PRO 101 2HD PRO 101 10.021 -7.259 -4.617
280 HD3 PRO 101 1HD PRO 101 10.002 -8.839 -5.427
281 H ALA 102 H ALA 102 8.347 -9.995 -0.202
282 HA ALA 102 HA ALA 102 6.593 -7.908 0.494
283 HB1 ALA 102 1HB ALA 102 7.786 -10.035 2.280
284 HB2 ALA 102 2HB ALA 102 6.322 -10.212 1.314
285 HB3 ALA 102 3HB ALA 102 6.365 -9.059 2.648
286 H ASP 103 H ASP 103 9.879 -8.608 1.284
287 HA ASP 103 HA ASP 103 10.271 -6.643 3.269
288 HB2 ASP 103 2HB ASP 103 12.230 -7.951 1.373
289 HB3 ASP 103 1HB ASP 103 12.717 -6.825 2.634
290 H VAL 104 H VAL 104 10.427 -6.586 -0.225
291 HA VAL 104 HA VAL 104 11.420 -3.922 -0.392
292 HB VAL 104 HB VAL 104 10.130 -5.782 -2.405
293 HG11 VAL 104 1HG1 VAL 104 9.300 -3.559 -2.957
294 HG12 VAL 104 2HG1 VAL 104 10.471 -4.110 -4.159
295 HG13 VAL 104 3HG1 VAL 104 10.946 -2.916 -2.943
296 HG21 VAL 104 1HG2 VAL 104 12.833 -4.453 -2.265
297 HG22 VAL 104 2HG2 VAL 104 12.306 -5.605 -3.492
298 HG23 VAL 104 3HG2 VAL 104 12.480 -6.120 -1.815
299 H ILE 105 H ILE 105 8.214 -5.344 -0.468
300 HA ILE 105 HA ILE 105 6.691 -3.031 -0.930
301 HB ILE 105 HB ILE 105 5.976 -5.478 0.714
302 HG12 ILE 105 2HG1 ILE 105 5.376 -4.788 -2.162
303 HG13 ILE 105 1HG1 ILE 105 6.608 -5.915 -1.631
304 HG21 ILE 105 1HG2 ILE 105 3.626 -4.856 0.332
305 HG22 ILE 105 2HG2 ILE 105 4.149 -3.362 -0.443
306 HG23 ILE 105 3HG2 ILE 105 4.480 -3.630 1.269
307 HD11 ILE 105 1HD1 ILE 105 3.634 -6.213 -1.207
308 HD12 ILE 105 2HD1 ILE 105 4.860 -7.358 -0.669
309 HD13 ILE 105 3HD1 ILE 105 4.606 -7.083 -2.392
310 H ASP 106 H ASP 106 7.697 -4.520 2.119
311 HA ASP 106 HA ASP 106 6.463 -2.562 3.754
312 HB2 ASP 106 2HB ASP 106 7.008 -4.792 4.598
313 HB3 ASP 106 1HB ASP 106 8.724 -4.451 4.402
314 H ALA 107 H ALA 107 9.688 -2.906 2.423
315 HA ALA 107 HA ALA 107 10.918 -0.762 3.732
316 HB1 ALA 107 1HB ALA 107 12.147 -2.435 2.460
317 HB2 ALA 107 2HB ALA 107 12.528 -0.808 1.879
318 HB3 ALA 107 3HB ALA 107 11.419 -1.848 0.970
319 H TYR 108 H TYR 108 9.136 -0.955 0.702
320 HA TYR 108 HA TYR 108 9.321 1.697 -0.137
321 HB2 TYR 108 2HB TYR 108 8.509 0.022 -1.628
322 HB3 TYR 108 1HB TYR 108 7.184 -0.406 -0.562
323 HD1 TYR 108 1HD TYR 108 8.422 2.000 -3.011
324 HD2 TYR 108 2HD TYR 108 5.164 0.978 -0.501
325 HE1 TYR 108 1HE TYR 108 7.011 3.564 -4.228
326 HE2 TYR 108 2HE TYR 108 3.728 2.551 -1.709
327 HH TYR 108 HH TYR 108 3.913 4.480 -3.051
328 H HIS 109 H HIS 109 6.931 0.111 1.921
329 HA HIS 109 HA HIS 109 5.382 2.453 2.333
330 HB2 HIS 109 2HB HIS 109 5.412 -0.222 3.699
331 HB3 HIS 109 1HB HIS 109 4.415 1.084 4.314
332 HD1 HIS 109 1HD HIS 109 2.093 1.160 3.339
333 HD2 HIS 109 2HD HIS 109 4.775 -0.805 0.848
334 HE1 HIS 109 1HE HIS 109 0.739 0.274 1.421
335 H ALA 110 H ALA 110 8.197 1.230 3.896
336 HA ALA 110 HA ALA 110 7.941 3.086 6.114
337 HB1 ALA 110 1HB ALA 110 10.120 2.235 6.820
338 HB2 ALA 110 2HB ALA 110 10.271 1.348 5.302
339 HB3 ALA 110 3HB ALA 110 9.015 0.907 6.460
340 H ALA 111 H ALA 111 9.259 3.062 2.956
341 HA ALA 111 HA ALA 111 11.099 5.246 3.411
342 HB1 ALA 111 1HB ALA 111 11.688 4.999 1.088
343 HB2 ALA 111 2HB ALA 111 10.336 3.897 0.841
344 HB3 ALA 111 3HB ALA 111 11.678 3.420 1.877
345 H ASP 112 H ASP 112 11.047 7.174 2.279
346 HA ASP 112 HA ASP 112 8.631 7.963 0.917
347 HB2 ASP 112 2HB ASP 112 8.232 8.866 3.134
348 HB3 ASP 112 1HB ASP 112 9.883 9.441 3.264
Start of MODEL 7
1 H MET 65 1HT MET 65 -20.608 1.593 -8.764
2 HA MET 65 HA MET 65 -18.891 -0.096 -8.645
3 HB2 MET 65 2HB MET 65 -17.627 2.677 -8.660
4 HB3 MET 65 1HB MET 65 -16.980 1.228 -9.391
5 HG2 MET 65 2HG MET 65 -18.760 1.190 -11.015
6 HG3 MET 65 1HG MET 65 -19.523 2.578 -10.239
7 HE1 MET 65 1HE MET 65 -18.295 4.101 -13.602
8 HE2 MET 65 2HE MET 65 -19.665 3.861 -12.516
9 HE3 MET 65 3HE MET 65 -18.939 2.481 -13.335
10 H SER 66 H SER 66 -17.838 2.667 -6.659
11 HA SER 66 HA SER 66 -16.973 0.744 -4.644
12 HB2 SER 66 2HB SER 66 -15.089 2.444 -4.241
13 HB3 SER 66 1HB SER 66 -14.970 1.419 -5.677
14 HG SER 66 HG SER 66 -15.136 4.109 -5.489
15 H GLY 67 H GLY 67 -17.893 4.074 -5.378
16 HA2 GLY 67 2HA GLY 67 -19.312 5.464 -4.256
17 HA3 GLY 67 1HA GLY 67 -19.562 4.190 -3.066
18 H SER 68 H SER 68 -19.384 5.775 -1.473
19 HA SER 68 HA SER 68 -16.594 6.463 -0.949
20 HB2 SER 68 2HB SER 68 -17.521 8.422 0.376
21 HB3 SER 68 1HB SER 68 -17.759 8.532 -1.364
22 HG SER 68 HG SER 68 -19.918 7.515 -0.822
23 H GLY 69 H GLY 69 -15.837 6.062 1.126
24 HA2 GLY 69 2HA GLY 69 -17.336 4.138 2.661
25 HA3 GLY 69 1HA GLY 69 -15.755 4.831 3.074
26 H ARG 70 H ARG 70 -16.196 7.392 2.905
27 HA ARG 70 HA ARG 70 -16.880 9.261 3.901
28 HB2 ARG 70 2HB ARG 70 -18.825 8.723 2.492
29 HB3 ARG 70 1HB ARG 70 -19.588 7.960 3.873
30 HG2 ARG 70 2HG ARG 70 -19.740 10.063 5.018
31 HG3 ARG 70 1HG ARG 70 -18.783 10.857 3.762
32 HD2 ARG 70 2HD ARG 70 -21.522 9.645 3.475
33 HD3 ARG 70 1HD ARG 70 -21.090 11.356 3.363
34 HE ARG 70 HE ARG 70 -20.148 9.317 1.445
35 HH11 ARG 70 1HH1 ARG 70 -21.436 12.553 2.038
36 HH12 ARG 70 2HH1 ARG 70 -21.439 12.995 0.393
37 HH21 ARG 70 1HH2 ARG 70 -20.114 9.909 -0.745
38 HH22 ARG 70 2HH2 ARG 70 -20.657 11.448 -1.247
39 H GLY 71 H GLY 71 -15.806 9.268 5.759
40 HA2 GLY 71 2HA GLY 71 -16.712 9.785 8.109
41 HA3 GLY 71 1HA GLY 71 -16.994 8.043 8.118
42 H ARG 72 H ARG 72 -15.244 6.655 7.838
43 HA ARG 72 HA ARG 72 -12.866 7.559 9.170
44 HB2 ARG 72 2HB ARG 72 -13.524 4.887 7.907
45 HB3 ARG 72 1HB ARG 72 -12.107 5.208 8.888
46 HG2 ARG 72 2HG ARG 72 -13.514 5.638 10.820
47 HG3 ARG 72 1HG ARG 72 -14.960 5.383 9.838
48 HD2 ARG 72 2HD ARG 72 -14.422 3.389 11.147
49 HD3 ARG 72 1HD ARG 72 -14.276 3.068 9.422
50 HE ARG 72 HE ARG 72 -11.774 3.836 10.436
51 HH11 ARG 72 1HH1 ARG 72 -13.971 1.065 10.623
52 HH12 ARG 72 2HH1 ARG 72 -12.733 -0.053 10.963
53 HH21 ARG 72 1HH2 ARG 72 -10.104 2.288 10.847
54 HH22 ARG 72 2HH2 ARG 72 -10.478 0.649 11.054
55 H GLY 73 H GLY 73 -13.882 6.731 5.963
56 HA2 GLY 73 2HA GLY 73 -12.462 8.187 4.358
57 HA3 GLY 73 1HA GLY 73 -11.217 7.042 4.867
58 H ALA 74 H ALA 74 -11.006 5.916 2.975
59 HA ALA 74 HA ALA 74 -13.212 4.128 2.406
60 HB1 ALA 74 1HB ALA 74 -11.775 5.713 0.269
61 HB2 ALA 74 2HB ALA 74 -13.456 5.938 0.762
62 HB3 ALA 74 3HB ALA 74 -12.955 4.432 -0.009
63 H ILE 75 H ILE 75 -12.543 2.163 1.717
64 HA ILE 75 HA ILE 75 -9.760 1.551 2.204
65 HB ILE 75 HB ILE 75 -12.012 -0.257 1.337
66 HG12 ILE 75 2HG1 ILE 75 -11.018 0.232 4.158
67 HG13 ILE 75 1HG1 ILE 75 -12.470 0.954 3.486
68 HG21 ILE 75 1HG2 ILE 75 -10.600 -2.066 2.289
69 HG22 ILE 75 2HG2 ILE 75 -9.344 -0.877 2.633
70 HG23 ILE 75 3HG2 ILE 75 -9.801 -1.218 0.966
71 HD11 ILE 75 1HD1 ILE 75 -12.988 -0.944 4.891
72 HD12 ILE 75 2HD1 ILE 75 -11.985 -1.993 3.875
73 HD13 ILE 75 3HD1 ILE 75 -13.447 -1.242 3.215
74 H ASP 76 H ASP 76 -8.402 1.617 0.601
75 HA ASP 76 HA ASP 76 -9.472 1.491 -2.134
76 HB2 ASP 76 2HB ASP 76 -8.597 3.748 -1.353
77 HB3 ASP 76 1HB ASP 76 -6.995 3.026 -1.298
78 H ARG 77 H ARG 77 -6.948 1.385 -3.431
79 HA ARG 77 HA ARG 77 -6.505 -1.469 -3.108
80 HB2 ARG 77 2HB ARG 77 -5.965 0.465 -5.333
81 HB3 ARG 77 1HB ARG 77 -5.537 -1.235 -5.394
82 HG2 ARG 77 2HG ARG 77 -7.662 -1.897 -5.229
83 HG3 ARG 77 1HG ARG 77 -8.316 -0.276 -4.896
84 HD2 ARG 77 2HD ARG 77 -7.142 0.238 -7.234
85 HD3 ARG 77 1HD ARG 77 -7.350 -1.497 -7.467
86 HE ARG 77 HE ARG 77 -9.616 0.171 -6.704
87 HH11 ARG 77 1HH1 ARG 77 -8.174 -2.073 -9.047
88 HH12 ARG 77 2HH1 ARG 77 -9.488 -2.027 -10.117
89 HH21 ARG 77 1HH2 ARG 77 -11.423 0.223 -8.182
90 HH22 ARG 77 2HH2 ARG 77 -11.380 -0.689 -9.612
91 H GLU 78 H GLU 78 -4.235 -1.799 -4.294
92 HA GLU 78 HA GLU 78 -2.278 -0.540 -2.568
93 HB2 GLU 78 2HB GLU 78 -2.743 -2.914 -2.317
94 HB3 GLU 78 1HB GLU 78 -2.400 -3.148 -4.006
95 HG2 GLU 78 2HG GLU 78 -0.061 -2.423 -3.665
96 HG3 GLU 78 1HG GLU 78 -0.387 -2.202 -1.949
97 H GLN 79 H GLN 79 -0.691 0.574 -3.645
98 HA GLN 79 HA GLN 79 -0.859 0.697 -6.550
99 HB2 GLN 79 2HB GLN 79 0.855 2.244 -4.631
100 HB3 GLN 79 1HB GLN 79 0.739 2.535 -6.366
101 HG2 GLN 79 2HG GLN 79 -1.517 2.821 -4.373
102 HG3 GLN 79 1HG GLN 79 -0.627 4.151 -5.110
103 HE21 GLN 79 1HE2 GLN 79 -3.455 3.478 -5.184
104 HE22 GLN 79 2HE2 GLN 79 -3.899 3.349 -6.854
105 H SER 80 H SER 80 -0.186 -1.615 -6.146
106 HA SER 80 HA SER 80 2.270 -2.608 -5.482
107 HB2 SER 80 2HB SER 80 0.615 -3.616 -7.767
108 HB3 SER 80 1HB SER 80 1.576 -4.550 -6.623
109 HG SER 80 HG SER 80 0.078 -4.248 -5.063
110 H ALA 81 H ALA 81 1.228 -1.495 -8.704
111 HA ALA 81 HA ALA 81 3.510 -2.065 -10.169
112 HB1 ALA 81 1HB ALA 81 1.619 0.257 -10.514
113 HB2 ALA 81 2HB ALA 81 1.402 -1.359 -11.184
114 HB3 ALA 81 3HB ALA 81 2.738 -0.344 -11.733
115 H ALA 82 H ALA 82 2.711 0.859 -8.347
116 HA ALA 82 HA ALA 82 4.996 2.353 -9.069
117 HB1 ALA 82 1HB ALA 82 4.385 3.833 -7.230
118 HB2 ALA 82 2HB ALA 82 3.275 2.612 -6.602
119 HB3 ALA 82 3HB ALA 82 2.954 3.379 -8.159
120 H ILE 83 H ILE 83 4.333 0.079 -6.524
121 HA ILE 83 HA ILE 83 6.650 0.502 -4.973
122 HB ILE 83 HB ILE 83 5.074 -2.081 -5.309
123 HG12 ILE 83 2HG1 ILE 83 4.805 0.118 -3.242
124 HG13 ILE 83 1HG1 ILE 83 3.677 -0.189 -4.553
125 HG21 ILE 83 1HG2 ILE 83 6.964 -1.231 -3.109
126 HG22 ILE 83 2HG2 ILE 83 7.274 -2.474 -4.321
127 HG23 ILE 83 3HG2 ILE 83 6.002 -2.708 -3.121
128 HD11 ILE 83 1HD1 ILE 83 4.270 -2.032 -2.245
129 HD12 ILE 83 2HD1 ILE 83 3.154 -2.377 -3.562
130 HD13 ILE 83 3HD1 ILE 83 2.822 -1.046 -2.454
131 H ARG 84 H ARG 84 5.992 -1.545 -7.773
132 HA ARG 84 HA ARG 84 8.548 -2.835 -7.796
133 HB2 ARG 84 2HB ARG 84 6.738 -2.371 -10.164
134 HB3 ARG 84 1HB ARG 84 8.066 -3.510 -10.082
135 HG2 ARG 84 2HG ARG 84 6.809 -4.694 -8.281
136 HG3 ARG 84 1HG ARG 84 5.441 -3.632 -8.633
137 HD2 ARG 84 2HD ARG 84 5.624 -4.362 -11.023
138 HD3 ARG 84 1HD ARG 84 6.777 -5.586 -10.493
139 HE ARG 84 HE ARG 84 4.012 -5.409 -9.529
140 HH11 ARG 84 1HH1 ARG 84 6.738 -7.470 -10.641
141 HH12 ARG 84 2HH1 ARG 84 5.797 -8.881 -10.510
142 HH21 ARG 84 1HH2 ARG 84 2.833 -7.359 -9.466
143 HH22 ARG 84 2HH2 ARG 84 3.555 -8.837 -9.895
144 H GLU 85 H GLU 85 7.219 0.021 -9.303
145 HA GLU 85 HA GLU 85 9.441 0.634 -10.925
146 HB2 GLU 85 2HB GLU 85 7.477 2.594 -9.716
147 HB3 GLU 85 1HB GLU 85 8.539 2.902 -11.080
148 HG2 GLU 85 2HG GLU 85 6.193 1.028 -10.968
149 HG3 GLU 85 1HG GLU 85 6.358 2.498 -11.922
150 H TRP 86 H TRP 86 8.557 1.658 -7.683
151 HA TRP 86 HA TRP 86 10.814 3.236 -7.073
152 HB2 TRP 86 2HB TRP 86 8.831 3.297 -5.681
153 HB3 TRP 86 1HB TRP 86 8.957 1.579 -5.347
154 HD1 TRP 86 HD TRP 86 10.512 4.939 -4.351
155 HE1 TRP 86 1HE TRP 86 11.800 4.618 -2.156
156 HE3 TRP 86 3HE TRP 86 10.152 -0.117 -3.949
157 HZ2 TRP 86 2HZ TRP 86 12.581 2.481 -0.463
158 HZ3 TRP 86 3HZ TRP 86 11.206 -1.236 -2.021
159 HH2 TRP 86 HH TRP 86 12.387 0.041 -0.316
160 H ALA 87 H ALA 87 10.205 -0.209 -6.658
161 HA ALA 87 HA ALA 87 12.575 -0.921 -5.369
162 HB1 ALA 87 1HB ALA 87 10.646 -2.398 -5.575
163 HB2 ALA 87 2HB ALA 87 12.092 -3.195 -6.215
164 HB3 ALA 87 3HB ALA 87 10.897 -2.494 -7.311
165 H ARG 88 H ARG 88 11.818 -0.856 -8.829
166 HA ARG 88 HA ARG 88 14.450 -1.587 -9.632
167 HB2 ARG 88 2HB ARG 88 12.211 -0.314 -11.229
168 HB3 ARG 88 1HB ARG 88 13.714 -0.908 -11.927
169 HG2 ARG 88 2HG ARG 88 13.170 -3.161 -11.000
170 HG3 ARG 88 1HG ARG 88 11.607 -2.521 -10.509
171 HD2 ARG 88 2HD ARG 88 12.617 -2.544 -13.352
172 HD3 ARG 88 1HD ARG 88 11.602 -3.795 -12.649
173 HE ARG 88 HE ARG 88 10.224 -1.468 -12.259
174 HH11 ARG 88 1HH1 ARG 88 11.627 -3.075 -15.083
175 HH12 ARG 88 2HH1 ARG 88 10.384 -2.625 -16.156
176 HH21 ARG 88 1HH2 ARG 88 8.440 -0.879 -13.771
177 HH22 ARG 88 2HH2 ARG 88 8.552 -1.346 -15.395
178 H ARG 89 H ARG 89 12.862 1.431 -9.033
179 HA ARG 89 HA ARG 89 14.765 3.196 -10.098
180 HB2 ARG 89 2HB ARG 89 12.461 3.835 -9.339
181 HB3 ARG 89 1HB ARG 89 12.950 3.572 -7.682
182 HG2 ARG 89 2HG ARG 89 14.340 5.582 -9.396
183 HG3 ARG 89 1HG ARG 89 12.810 5.976 -8.615
184 HD2 ARG 89 2HD ARG 89 13.763 5.601 -6.450
185 HD3 ARG 89 1HD ARG 89 15.254 4.977 -7.146
186 HE ARG 89 HE ARG 89 14.839 7.541 -8.137
187 HH11 ARG 89 1HH1 ARG 89 15.511 6.085 -4.966
188 HH12 ARG 89 2HH1 ARG 89 16.339 7.422 -4.358
189 HH21 ARG 89 1HH2 ARG 89 15.962 9.395 -7.297
190 HH22 ARG 89 2HH2 ARG 89 16.614 9.379 -5.721
191 H ASN 90 H ASN 90 14.525 1.593 -7.019
192 HA ASN 90 HA ASN 90 16.944 2.749 -5.995
193 HB2 ASN 90 2HB ASN 90 15.129 0.569 -5.059
194 HB3 ASN 90 1HB ASN 90 16.677 0.774 -4.271
195 HD21 ASN 90 1HD2 ASN 90 13.541 2.080 -4.815
196 HD22 ASN 90 2HD2 ASN 90 13.615 3.293 -3.598
197 H GLY 91 H GLY 91 16.085 -0.481 -7.097
198 HA2 GLY 91 2HA GLY 91 17.834 -1.327 -8.748
199 HA3 GLY 91 1HA GLY 91 18.968 -1.001 -7.442
200 H HIS 92 H HIS 92 15.775 -2.201 -6.780
201 HA HIS 92 HA HIS 92 16.934 -4.655 -5.714
202 HB2 HIS 92 2HB HIS 92 14.012 -3.825 -5.700
203 HB3 HIS 92 1HB HIS 92 14.781 -5.019 -4.674
204 HD1 HIS 92 1HD HIS 92 17.183 -2.923 -3.762
205 HD2 HIS 92 2HD HIS 92 13.062 -2.332 -3.635
206 HE1 HIS 92 1HE HIS 92 16.780 -1.091 -2.111
207 H ASN 93 H ASN 93 16.348 -6.682 -6.634
208 HA ASN 93 HA ASN 93 15.701 -6.379 -9.423
209 HB2 ASN 93 2HB ASN 93 16.467 -8.922 -7.974
210 HB3 ASN 93 1HB ASN 93 16.368 -8.697 -9.717
211 HD21 ASN 93 1HD2 ASN 93 17.969 -7.348 -10.733
212 HD22 ASN 93 2HD2 ASN 93 19.463 -7.028 -9.949
213 H VAL 94 H VAL 94 13.570 -5.675 -8.483
214 HA VAL 94 HA VAL 94 11.688 -7.898 -8.325
215 HB VAL 94 HB VAL 94 11.177 -4.907 -8.089
216 HG11 VAL 94 1HG1 VAL 94 9.200 -6.128 -8.858
217 HG12 VAL 94 2HG1 VAL 94 8.972 -5.556 -7.204
218 HG13 VAL 94 3HG1 VAL 94 9.358 -7.249 -7.504
219 HG21 VAL 94 1HG2 VAL 94 11.361 -7.013 -5.933
220 HG22 VAL 94 2HG2 VAL 94 10.900 -5.329 -5.686
221 HG23 VAL 94 3HG2 VAL 94 12.530 -5.727 -6.236
222 H SER 95 H SER 95 10.888 -8.591 -10.154
223 HA SER 95 HA SER 95 11.259 -6.912 -12.505
224 HB2 SER 95 2HB SER 95 12.364 -9.155 -12.417
225 HB3 SER 95 1HB SER 95 10.772 -9.895 -12.330
226 HG SER 95 HG SER 95 11.835 -8.330 -14.437
227 H THR 96 H THR 96 9.582 -7.571 -14.280
228 HA THR 96 HA THR 96 7.026 -6.718 -13.445
229 HB THR 96 HB THR 96 6.644 -7.321 -15.972
230 HG1 THR 96 1HG THR 96 8.837 -7.328 -17.014
231 HG21 THR 96 1HG2 THR 96 7.766 -5.254 -16.659
232 HG22 THR 96 2HG2 THR 96 8.735 -5.272 -15.186
233 HG23 THR 96 3HG2 THR 96 6.994 -5.018 -15.091
234 H ARG 97 H ARG 97 8.502 -9.646 -14.658
235 HA ARG 97 HA ARG 97 6.119 -11.232 -14.120
236 HB2 ARG 97 2HB ARG 97 8.802 -12.069 -15.258
237 HB3 ARG 97 1HB ARG 97 7.359 -13.066 -15.178
238 HG2 ARG 97 2HG ARG 97 6.223 -11.641 -16.748
239 HG3 ARG 97 1HG ARG 97 7.581 -10.513 -16.755
240 HD2 ARG 97 2HD ARG 97 9.015 -12.261 -17.696
241 HD3 ARG 97 1HD ARG 97 7.654 -13.382 -17.679
242 HE ARG 97 HE ARG 97 6.773 -11.220 -19.083
243 HH11 ARG 97 1HH1 ARG 97 9.540 -13.398 -19.507
244 HH12 ARG 97 2HH1 ARG 97 9.495 -13.306 -21.217
245 HH21 ARG 97 1HH2 ARG 97 6.750 -11.096 -21.396
246 HH22 ARG 97 2HH2 ARG 97 7.878 -11.979 -22.315
247 H GLY 98 H GLY 98 6.014 -11.316 -11.904
248 HA2 GLY 98 2HA GLY 98 7.225 -13.188 -10.455
249 HA3 GLY 98 1HA GLY 98 8.373 -11.859 -10.366
250 H ARG 99 H ARG 99 7.450 -12.578 -8.103
251 HA ARG 99 HA ARG 99 5.023 -11.209 -7.290
252 HB2 ARG 99 2HB ARG 99 5.702 -13.381 -6.296
253 HB3 ARG 99 1HB ARG 99 7.157 -12.623 -5.673
254 HG2 ARG 99 2HG ARG 99 5.502 -10.989 -4.523
255 HG3 ARG 99 1HG ARG 99 4.327 -12.268 -4.795
256 HD2 ARG 99 2HD ARG 99 6.924 -12.484 -3.281
257 HD3 ARG 99 1HD ARG 99 5.317 -12.417 -2.577
258 HE ARG 99 HE ARG 99 6.246 -14.621 -4.291
259 HH11 ARG 99 1HH1 ARG 99 4.456 -13.459 -1.440
260 HH12 ARG 99 2HH1 ARG 99 4.214 -15.007 -0.788
261 HH21 ARG 99 1HH2 ARG 99 5.917 -16.766 -3.338
262 HH22 ARG 99 2HH2 ARG 99 5.033 -16.921 -1.893
263 H ILE 100 H ILE 100 5.009 -9.402 -5.927
264 HA ILE 100 HA ILE 100 7.430 -7.821 -5.723
265 HB ILE 100 HB ILE 100 4.689 -7.336 -4.521
266 HG12 ILE 100 2HG1 ILE 100 5.860 -6.173 -7.049
267 HG13 ILE 100 1HG1 ILE 100 4.675 -7.471 -7.013
268 HG21 ILE 100 1HG2 ILE 100 6.490 -6.132 -3.421
269 HG22 ILE 100 2HG2 ILE 100 5.458 -5.009 -4.307
270 HG23 ILE 100 3HG2 ILE 100 7.032 -5.471 -4.963
271 HD11 ILE 100 1HD1 ILE 100 3.085 -5.996 -5.938
272 HD12 ILE 100 2HD1 ILE 100 3.656 -5.315 -7.466
273 HD13 ILE 100 3HD1 ILE 100 4.274 -4.694 -5.937
274 HA PRO 101 HA PRO 101 8.291 -9.961 -1.781
275 HB2 PRO 101 2HB PRO 101 10.248 -7.748 -1.582
276 HB3 PRO 101 1HB PRO 101 10.521 -9.498 -1.460
277 HG2 PRO 101 2HG PRO 101 11.332 -8.203 -3.591
278 HG3 PRO 101 1HG PRO 101 10.591 -9.812 -3.733
279 HD2 PRO 101 2HD PRO 101 9.385 -7.142 -4.296
280 HD3 PRO 101 1HD PRO 101 9.233 -8.673 -5.187
281 H ALA 102 H ALA 102 7.193 -9.672 -0.062
282 HA ALA 102 HA ALA 102 5.791 -7.391 0.716
283 HB1 ALA 102 1HB ALA 102 5.258 -9.647 1.535
284 HB2 ALA 102 2HB ALA 102 5.473 -8.518 2.875
285 HB3 ALA 102 3HB ALA 102 6.754 -9.658 2.465
286 H ASP 103 H ASP 103 8.984 -8.511 1.479
287 HA ASP 103 HA ASP 103 9.716 -6.638 3.436
288 HB2 ASP 103 2HB ASP 103 11.118 -8.586 2.913
289 HB3 ASP 103 1HB ASP 103 11.439 -7.939 1.309
290 H VAL 104 H VAL 104 9.754 -6.518 -0.071
291 HA VAL 104 HA VAL 104 10.925 -3.935 -0.273
292 HB VAL 104 HB VAL 104 9.444 -5.700 -2.241
293 HG11 VAL 104 1HG1 VAL 104 9.877 -4.057 -4.017
294 HG12 VAL 104 2HG1 VAL 104 10.463 -2.906 -2.812
295 HG13 VAL 104 3HG1 VAL 104 8.772 -3.425 -2.796
296 HG21 VAL 104 1HG2 VAL 104 11.760 -6.213 -1.709
297 HG22 VAL 104 2HG2 VAL 104 12.235 -4.580 -2.171
298 HG23 VAL 104 3HG2 VAL 104 11.589 -5.686 -3.384
299 H ILE 105 H ILE 105 7.625 -5.116 -0.190
300 HA ILE 105 HA ILE 105 6.316 -2.675 -0.670
301 HB ILE 105 HB ILE 105 5.373 -5.026 1.007
302 HG12 ILE 105 2HG1 ILE 105 4.872 -4.323 -1.893
303 HG13 ILE 105 1HG1 ILE 105 5.949 -5.579 -1.324
304 HG21 ILE 105 1HG2 ILE 105 4.065 -3.028 1.528
305 HG22 ILE 105 2HG2 ILE 105 3.092 -4.173 0.607
306 HG23 ILE 105 3HG2 ILE 105 3.770 -2.754 -0.188
307 HD11 ILE 105 1HD1 ILE 105 2.956 -5.510 -0.955
308 HD12 ILE 105 2HD1 ILE 105 4.024 -6.786 -0.373
309 HD13 ILE 105 3HD1 ILE 105 3.842 -6.507 -2.108
310 H ASP 106 H ASP 106 7.286 -4.187 2.377
311 HA ASP 106 HA ASP 106 6.355 -2.068 4.046
312 HB2 ASP 106 2HB ASP 106 6.712 -4.266 4.993
313 HB3 ASP 106 1HB ASP 106 8.404 -4.244 4.523
314 H ALA 107 H ALA 107 9.430 -2.756 2.505
315 HA ALA 107 HA ALA 107 10.920 -0.666 3.656
316 HB1 ALA 107 1HB ALA 107 11.187 -1.906 0.924
317 HB2 ALA 107 2HB ALA 107 11.903 -2.533 2.403
318 HB3 ALA 107 3HB ALA 107 12.436 -0.971 1.758
319 H TYR 108 H TYR 108 8.977 -0.857 0.724
320 HA TYR 108 HA TYR 108 9.308 1.702 -0.290
321 HB2 TYR 108 2HB TYR 108 8.221 0.017 -1.600
322 HB3 TYR 108 1HB TYR 108 6.978 -0.221 -0.386
323 HD1 TYR 108 1HD TYR 108 5.047 1.189 -0.305
324 HD2 TYR 108 2HD TYR 108 8.180 2.011 -3.050
325 HE1 TYR 108 1HE TYR 108 3.594 2.777 -1.467
326 HE2 TYR 108 2HE TYR 108 6.746 3.599 -4.225
327 HH TYR 108 HH TYR 108 3.883 4.736 -2.845
328 H HIS 109 H HIS 109 6.911 0.491 1.987
329 HA HIS 109 HA HIS 109 5.643 2.995 2.309
330 HB2 HIS 109 2HB HIS 109 5.427 0.392 3.762
331 HB3 HIS 109 1HB HIS 109 4.567 1.783 4.372
332 HD1 HIS 109 1HD HIS 109 2.471 2.548 2.977
333 HD2 HIS 109 2HD HIS 109 4.518 -0.669 1.364
334 HE1 HIS 109 1HE HIS 109 0.961 1.584 1.202
335 H ALA 110 H ALA 110 8.340 1.529 3.893
336 HA ALA 110 HA ALA 110 8.217 3.395 6.105
337 HB1 ALA 110 1HB ALA 110 10.103 2.192 7.027
338 HB2 ALA 110 2HB ALA 110 10.310 1.312 5.514
339 HB3 ALA 110 3HB ALA 110 8.867 1.054 6.490
340 H ALA 111 H ALA 111 9.988 3.084 3.105
341 HA ALA 111 HA ALA 111 11.974 5.031 3.933
342 HB1 ALA 111 1HB ALA 111 11.579 3.730 1.242
343 HB2 ALA 111 2HB ALA 111 12.646 3.140 2.516
344 HB3 ALA 111 3HB ALA 111 12.972 4.692 1.740
345 H ASP 112 H ASP 112 12.077 7.109 3.359
346 HA ASP 112 HA ASP 112 9.729 8.211 2.044
347 HB2 ASP 112 2HB ASP 112 10.245 9.257 4.174
348 HB3 ASP 112 1HB ASP 112 11.898 9.576 3.654
Start of MODEL 8
1 H MET 65 1HT MET 65 -5.712 -9.446 -31.410
2 HA MET 65 HA MET 65 -4.670 -7.310 -30.819
3 HB2 MET 65 2HB MET 65 -7.007 -6.903 -32.711
4 HB3 MET 65 1HB MET 65 -5.551 -5.940 -32.645
5 HG2 MET 65 2HG MET 65 -4.239 -7.824 -33.446
6 HG3 MET 65 1HG MET 65 -5.683 -8.833 -33.443
7 HE1 MET 65 1HE MET 65 -5.001 -8.359 -37.268
8 HE2 MET 65 2HE MET 65 -5.249 -9.517 -35.964
9 HE3 MET 65 3HE MET 65 -3.801 -8.513 -35.985
10 H SER 66 H SER 66 -4.894 -5.978 -29.102
11 HA SER 66 HA SER 66 -7.458 -5.333 -28.048
12 HB2 SER 66 2HB SER 66 -4.721 -4.252 -27.359
13 HB3 SER 66 1HB SER 66 -6.179 -4.143 -26.364
14 HG SER 66 HG SER 66 -5.965 -6.647 -26.949
15 H GLY 67 H GLY 67 -8.561 -3.408 -28.206
16 HA2 GLY 67 2HA GLY 67 -7.357 -1.289 -29.818
17 HA3 GLY 67 1HA GLY 67 -8.915 -1.954 -30.291
18 H SER 68 H SER 68 -7.804 -1.466 -27.024
19 HA SER 68 HA SER 68 -9.613 0.787 -26.720
20 HB2 SER 68 2HB SER 68 -9.627 -1.690 -24.975
21 HB3 SER 68 1HB SER 68 -10.499 -0.203 -24.616
22 HG SER 68 HG SER 68 -11.331 -0.624 -26.904
23 H GLY 69 H GLY 69 -8.050 2.256 -26.328
24 HA2 GLY 69 2HA GLY 69 -5.754 1.596 -24.728
25 HA3 GLY 69 1HA GLY 69 -6.082 3.132 -25.505
26 H ARG 70 H ARG 70 -6.907 1.125 -22.736
27 HA ARG 70 HA ARG 70 -6.717 3.403 -21.081
28 HB2 ARG 70 2HB ARG 70 -8.893 3.193 -19.894
29 HB3 ARG 70 1HB ARG 70 -9.117 3.645 -21.564
30 HG2 ARG 70 2HG ARG 70 -9.474 0.833 -20.540
31 HG3 ARG 70 1HG ARG 70 -10.772 2.017 -20.590
32 HD2 ARG 70 2HD ARG 70 -9.184 1.051 -22.954
33 HD3 ARG 70 1HD ARG 70 -10.788 0.479 -22.520
34 HE ARG 70 HE ARG 70 -10.287 3.314 -23.142
35 HH11 ARG 70 1HH1 ARG 70 -12.253 0.408 -23.620
36 HH12 ARG 70 2HH1 ARG 70 -13.152 1.033 -24.919
37 HH21 ARG 70 1HH2 ARG 70 -11.590 4.217 -24.902
38 HH22 ARG 70 2HH2 ARG 70 -12.758 3.235 -25.659
39 H GLY 71 H GLY 71 -5.251 2.726 -19.795
40 HA2 GLY 71 2HA GLY 71 -5.591 0.076 -18.542
41 HA3 GLY 71 1HA GLY 71 -4.016 0.697 -19.035
42 H ARG 72 H ARG 72 -5.938 3.152 -17.943
43 HA ARG 72 HA ARG 72 -4.889 2.944 -15.230
44 HB2 ARG 72 2HB ARG 72 -5.044 5.377 -16.996
45 HB3 ARG 72 1HB ARG 72 -4.765 5.475 -15.270
46 HG2 ARG 72 2HG ARG 72 -2.725 4.064 -15.628
47 HG3 ARG 72 1HG ARG 72 -3.003 4.245 -17.365
48 HD2 ARG 72 2HD ARG 72 -1.407 5.906 -16.612
49 HD3 ARG 72 1HD ARG 72 -2.913 6.680 -17.104
50 HE ARG 72 HE ARG 72 -3.003 6.166 -14.352
51 HH11 ARG 72 1HH1 ARG 72 -1.360 8.302 -16.648
52 HH12 ARG 72 2HH1 ARG 72 -1.091 9.544 -15.521
53 HH21 ARG 72 1HH2 ARG 72 -2.637 7.916 -12.784
54 HH22 ARG 72 2HH2 ARG 72 -1.852 9.322 -13.292
55 H GLY 73 H GLY 73 -6.141 5.046 -14.100
56 HA2 GLY 73 2HA GLY 73 -8.260 5.876 -13.561
57 HA3 GLY 73 1HA GLY 73 -8.980 4.690 -14.659
58 H ALA 74 H ALA 74 -6.718 4.513 -11.944
59 HA ALA 74 HA ALA 74 -8.254 2.238 -11.000
60 HB1 ALA 74 1HB ALA 74 -6.146 1.339 -10.152
61 HB2 ALA 74 2HB ALA 74 -5.285 2.727 -10.821
62 HB3 ALA 74 3HB ALA 74 -6.080 1.581 -11.900
63 H ILE 75 H ILE 75 -8.207 1.998 -8.713
64 HA ILE 75 HA ILE 75 -8.182 4.597 -7.488
65 HB ILE 75 HB ILE 75 -9.541 2.025 -6.584
66 HG12 ILE 75 2HG1 ILE 75 -10.527 2.849 -8.643
67 HG13 ILE 75 1HG1 ILE 75 -11.640 3.074 -7.299
68 HG21 ILE 75 1HG2 ILE 75 -10.829 3.401 -5.034
69 HG22 ILE 75 2HG2 ILE 75 -9.892 4.818 -5.520
70 HG23 ILE 75 3HG2 ILE 75 -9.098 3.479 -4.690
71 HD11 ILE 75 1HD1 ILE 75 -11.695 4.987 -8.753
72 HD12 ILE 75 2HD1 ILE 75 -9.949 5.186 -8.619
73 HD13 ILE 75 3HD1 ILE 75 -10.976 5.445 -7.208
74 H ASP 76 H ASP 76 -7.395 4.656 -5.209
75 HA ASP 76 HA ASP 76 -4.926 3.247 -4.858
76 HB2 ASP 76 2HB ASP 76 -5.036 5.562 -4.175
77 HB3 ASP 76 1HB ASP 76 -6.392 5.228 -3.107
78 H ARG 77 H ARG 77 -4.553 1.580 -3.669
79 HA ARG 77 HA ARG 77 -5.759 0.721 -1.350
80 HB2 ARG 77 2HB ARG 77 -7.711 0.149 -2.900
81 HB3 ARG 77 1HB ARG 77 -6.633 -0.961 -3.735
82 HG2 ARG 77 2HG ARG 77 -6.311 -2.204 -1.637
83 HG3 ARG 77 1HG ARG 77 -7.437 -1.108 -0.840
84 HD2 ARG 77 2HD ARG 77 -9.179 -1.826 -2.473
85 HD3 ARG 77 1HD ARG 77 -8.034 -3.014 -3.091
86 HE ARG 77 HE ARG 77 -8.266 -3.263 -0.301
87 HH11 ARG 77 1HH1 ARG 77 -10.040 -4.057 -3.273
88 HH12 ARG 77 2HH1 ARG 77 -11.014 -5.236 -2.543
89 HH21 ARG 77 1HH2 ARG 77 -9.601 -4.936 0.689
90 HH22 ARG 77 2HH2 ARG 77 -10.735 -5.759 -0.284
91 H GLU 78 H GLU 78 -4.722 -0.642 -4.422
92 HA GLU 78 HA GLU 78 -2.234 -1.505 -3.177
93 HB2 GLU 78 2HB GLU 78 -3.720 -3.461 -3.467
94 HB3 GLU 78 1HB GLU 78 -3.908 -3.032 -5.160
95 HG2 GLU 78 2HG GLU 78 -1.481 -3.368 -5.488
96 HG3 GLU 78 1HG GLU 78 -1.367 -3.911 -3.818
97 H GLN 79 H GLN 79 -0.841 -0.156 -4.136
98 HA GLN 79 HA GLN 79 -1.072 0.001 -7.014
99 HB2 GLN 79 2HB GLN 79 0.154 1.991 -5.127
100 HB3 GLN 79 1HB GLN 79 0.437 2.013 -6.866
101 HG2 GLN 79 2HG GLN 79 -1.933 2.286 -7.294
102 HG3 GLN 79 1HG GLN 79 -2.284 2.207 -5.574
103 HE21 GLN 79 1HE2 GLN 79 -1.832 3.981 -4.312
104 HE22 GLN 79 2HE2 GLN 79 -1.461 5.531 -4.954
105 H SER 80 H SER 80 -0.188 -1.927 -7.246
106 HA SER 80 HA SER 80 2.251 -2.735 -6.120
107 HB2 SER 80 2HB SER 80 1.895 -4.551 -7.945
108 HB3 SER 80 1HB SER 80 0.753 -4.437 -6.596
109 HG SER 80 HG SER 80 -0.352 -4.568 -8.557
110 H ALA 81 H ALA 81 1.314 -1.227 -9.130
111 HA ALA 81 HA ALA 81 3.749 -1.630 -10.509
112 HB1 ALA 81 1HB ALA 81 3.010 0.140 -12.011
113 HB2 ALA 81 2HB ALA 81 1.765 0.622 -10.867
114 HB3 ALA 81 3HB ALA 81 1.671 -0.952 -11.661
115 H ALA 82 H ALA 82 2.556 0.938 -8.427
116 HA ALA 82 HA ALA 82 4.709 2.714 -8.685
117 HB1 ALA 82 1HB ALA 82 2.585 3.357 -7.642
118 HB2 ALA 82 2HB ALA 82 3.940 3.698 -6.569
119 HB3 ALA 82 3HB ALA 82 2.925 2.283 -6.286
120 H ILE 83 H ILE 83 4.150 0.069 -6.442
121 HA ILE 83 HA ILE 83 6.489 0.388 -4.916
122 HB ILE 83 HB ILE 83 4.937 -2.177 -5.443
123 HG12 ILE 83 2HG1 ILE 83 4.663 -0.161 -3.194
124 HG13 ILE 83 1HG1 ILE 83 3.563 -0.301 -4.553
125 HG21 ILE 83 1HG2 ILE 83 6.833 -1.442 -3.191
126 HG22 ILE 83 2HG2 ILE 83 7.157 -2.605 -4.478
127 HG23 ILE 83 3HG2 ILE 83 5.890 -2.929 -3.296
128 HD11 ILE 83 1HD1 ILE 83 2.650 -1.326 -2.563
129 HD12 ILE 83 2HD1 ILE 83 4.054 -2.388 -2.437
130 HD13 ILE 83 3HD1 ILE 83 2.941 -2.546 -3.801
131 H ARG 84 H ARG 84 5.812 -1.445 -7.868
132 HA ARG 84 HA ARG 84 8.376 -2.642 -8.029
133 HB2 ARG 84 2HB ARG 84 6.281 -2.211 -10.168
134 HB3 ARG 84 1HB ARG 84 7.766 -3.118 -10.417
135 HG2 ARG 84 2HG ARG 84 7.109 -4.725 -8.732
136 HG3 ARG 84 1HG ARG 84 5.663 -3.786 -8.374
137 HD2 ARG 84 2HD ARG 84 5.095 -5.682 -9.765
138 HD3 ARG 84 1HD ARG 84 4.855 -4.187 -10.658
139 HE ARG 84 HE ARG 84 7.417 -5.114 -11.250
140 HH11 ARG 84 1HH1 ARG 84 4.063 -6.134 -11.776
141 HH12 ARG 84 2HH1 ARG 84 4.373 -6.976 -13.221
142 HH21 ARG 84 1HH2 ARG 84 7.866 -6.286 -13.219
143 HH22 ARG 84 2HH2 ARG 84 6.607 -7.090 -14.038
144 H GLU 85 H GLU 85 7.061 0.362 -9.279
145 HA GLU 85 HA GLU 85 9.235 1.114 -10.900
146 HB2 GLU 85 2HB GLU 85 7.373 2.894 -9.318
147 HB3 GLU 85 1HB GLU 85 8.446 3.446 -10.592
148 HG2 GLU 85 2HG GLU 85 6.127 1.560 -10.903
149 HG3 GLU 85 1HG GLU 85 6.179 3.254 -11.397
150 H TRP 86 H TRP 86 8.554 1.768 -7.513
151 HA TRP 86 HA TRP 86 10.920 3.207 -6.937
152 HB2 TRP 86 2HB TRP 86 8.982 3.286 -5.477
153 HB3 TRP 86 1HB TRP 86 9.089 1.559 -5.186
154 HD1 TRP 86 HD TRP 86 10.675 4.885 -4.135
155 HE1 TRP 86 1HE TRP 86 12.043 4.488 -1.996
156 HE3 TRP 86 3HE TRP 86 10.395 -0.203 -3.950
157 HZ2 TRP 86 2HZ TRP 86 12.892 2.273 -0.428
158 HZ3 TRP 86 3HZ TRP 86 11.511 -1.385 -2.124
159 HH2 TRP 86 HH TRP 86 12.733 -0.171 -0.386
160 H ALA 87 H ALA 87 10.077 -0.197 -6.748
161 HA ALA 87 HA ALA 87 12.434 -1.174 -5.637
162 HB1 ALA 87 1HB ALA 87 11.744 -3.353 -6.548
163 HB2 ALA 87 2HB ALA 87 10.553 -2.534 -7.563
164 HB3 ALA 87 3HB ALA 87 10.387 -2.498 -5.811
165 H ARG 88 H ARG 88 11.510 -0.746 -9.043
166 HA ARG 88 HA ARG 88 13.973 -1.716 -10.042
167 HB2 ARG 88 2HB ARG 88 11.913 0.013 -11.412
168 HB3 ARG 88 1HB ARG 88 13.318 -0.675 -12.210
169 HG2 ARG 88 2HG ARG 88 12.471 -2.943 -11.553
170 HG3 ARG 88 1HG ARG 88 10.995 -2.152 -10.998
171 HD2 ARG 88 2HD ARG 88 12.117 -2.030 -13.790
172 HD3 ARG 88 1HD ARG 88 10.782 -3.055 -13.285
173 HE ARG 88 HE ARG 88 9.649 -0.871 -12.707
174 HH11 ARG 88 1HH1 ARG 88 12.000 -1.147 -15.352
175 HH12 ARG 88 2HH1 ARG 88 11.321 0.101 -16.276
176 HH21 ARG 88 1HH2 ARG 88 8.685 0.774 -14.001
177 HH22 ARG 88 2HH2 ARG 88 9.374 1.239 -15.487
178 H ARG 89 H ARG 89 12.914 1.475 -9.078
179 HA ARG 89 HA ARG 89 15.060 2.988 -10.085
180 HB2 ARG 89 2HB ARG 89 13.131 4.094 -9.070
181 HB3 ARG 89 1HB ARG 89 13.481 3.339 -7.521
182 HG2 ARG 89 2HG ARG 89 15.621 4.609 -7.442
183 HG3 ARG 89 1HG ARG 89 15.143 5.432 -8.924
184 HD2 ARG 89 2HD ARG 89 13.216 6.374 -7.828
185 HD3 ARG 89 1HD ARG 89 13.557 5.460 -6.360
186 HE ARG 89 HE ARG 89 15.692 7.173 -7.219
187 HH11 ARG 89 1HH1 ARG 89 12.671 7.131 -5.371
188 HH12 ARG 89 2HH1 ARG 89 13.118 8.360 -4.288
189 HH21 ARG 89 1HH2 ARG 89 16.335 8.876 -5.763
190 HH22 ARG 89 2HH2 ARG 89 15.302 9.374 -4.506
191 H ASN 90 H ASN 90 14.655 1.272 -7.046
192 HA ASN 90 HA ASN 90 17.295 1.814 -6.095
193 HB2 ASN 90 2HB ASN 90 15.138 -0.066 -5.232
194 HB3 ASN 90 1HB ASN 90 16.733 -0.174 -4.509
195 HD21 ASN 90 1HD2 ASN 90 13.809 1.657 -4.770
196 HD22 ASN 90 2HD2 ASN 90 14.195 2.764 -3.501
197 H GLY 91 H GLY 91 15.822 -0.763 -7.875
198 HA2 GLY 91 2HA GLY 91 17.100 -2.041 -9.424
199 HA3 GLY 91 1HA GLY 91 18.500 -1.816 -8.380
200 H HIS 92 H HIS 92 15.355 -2.666 -7.152
201 HA HIS 92 HA HIS 92 16.452 -5.108 -6.028
202 HB2 HIS 92 2HB HIS 92 13.591 -4.097 -5.909
203 HB3 HIS 92 1HB HIS 92 14.270 -5.386 -4.938
204 HD1 HIS 92 1HD HIS 92 16.801 -3.930 -3.803
205 HD2 HIS 92 2HD HIS 92 13.005 -2.264 -4.066
206 HE1 HIS 92 1HE HIS 92 16.770 -1.973 -2.221
207 H ASN 93 H ASN 93 15.592 -7.175 -6.539
208 HA ASN 93 HA ASN 93 15.000 -7.392 -9.336
209 HB2 ASN 93 2HB ASN 93 15.387 -9.497 -7.221
210 HB3 ASN 93 1HB ASN 93 15.026 -9.871 -8.895
211 HD21 ASN 93 1HD2 ASN 93 17.395 -8.784 -6.647
212 HD22 ASN 93 2HD2 ASN 93 18.736 -8.825 -7.742
213 H VAL 94 H VAL 94 12.981 -6.234 -9.090
214 HA VAL 94 HA VAL 94 10.754 -8.158 -8.779
215 HB VAL 94 HB VAL 94 10.475 -5.200 -8.102
216 HG11 VAL 94 1HG1 VAL 94 8.751 -7.547 -7.344
217 HG12 VAL 94 2HG1 VAL 94 8.420 -6.376 -8.615
218 HG13 VAL 94 3HG1 VAL 94 8.453 -5.858 -6.923
219 HG21 VAL 94 1HG2 VAL 94 11.004 -7.402 -6.099
220 HG22 VAL 94 2HG2 VAL 94 10.573 -5.736 -5.706
221 HG23 VAL 94 3HG2 VAL 94 12.099 -6.084 -6.516
222 H SER 95 H SER 95 12.585 -6.719 -10.836
223 HA SER 95 HA SER 95 11.234 -4.864 -12.314
224 HB2 SER 95 2HB SER 95 13.262 -6.793 -13.361
225 HB3 SER 95 1HB SER 95 13.065 -5.072 -13.727
226 HG SER 95 HG SER 95 14.403 -4.726 -12.165
227 H THR 96 H THR 96 11.933 -8.193 -13.556
228 HA THR 96 HA THR 96 9.589 -7.913 -15.220
229 HB THR 96 HB THR 96 10.655 -10.049 -16.233
230 HG1 THR 96 1HG THR 96 13.090 -9.589 -15.732
231 HG21 THR 96 1HG2 THR 96 10.654 -7.822 -17.300
232 HG22 THR 96 2HG2 THR 96 12.184 -8.655 -17.567
233 HG23 THR 96 3HG2 THR 96 12.076 -7.374 -16.360
234 H ARG 97 H ARG 97 10.201 -9.110 -12.262
235 HA ARG 97 HA ARG 97 8.395 -11.397 -12.601
236 HB2 ARG 97 2HB ARG 97 10.404 -10.906 -10.391
237 HB3 ARG 97 1HB ARG 97 9.436 -12.367 -10.600
238 HG2 ARG 97 2HG ARG 97 10.582 -12.759 -12.748
239 HG3 ARG 97 1HG ARG 97 11.575 -11.339 -12.448
240 HD2 ARG 97 2HD ARG 97 12.316 -12.466 -10.320
241 HD3 ARG 97 1HD ARG 97 11.509 -13.923 -10.913
242 HE ARG 97 HE ARG 97 13.645 -12.544 -12.376
243 HH11 ARG 97 1HH1 ARG 97 12.201 -15.593 -11.237
244 HH12 ARG 97 2HH1 ARG 97 13.378 -16.562 -11.980
245 HH21 ARG 97 1HH2 ARG 97 15.250 -13.892 -13.371
246 HH22 ARG 97 2HH2 ARG 97 15.150 -15.579 -13.197
247 H GLY 98 H GLY 98 6.419 -11.047 -11.882
248 HA2 GLY 98 2HA GLY 98 5.829 -8.522 -10.657
249 HA3 GLY 98 1HA GLY 98 4.674 -9.692 -11.248
250 H ARG 99 H ARG 99 6.649 -11.330 -9.114
251 HA ARG 99 HA ARG 99 4.647 -10.955 -7.034
252 HB2 ARG 99 2HB ARG 99 5.443 -13.288 -7.628
253 HB3 ARG 99 1HB ARG 99 7.033 -12.853 -7.028
254 HG2 ARG 99 2HG ARG 99 4.577 -12.780 -5.268
255 HG3 ARG 99 1HG ARG 99 5.541 -14.237 -5.482
256 HD2 ARG 99 2HD ARG 99 7.477 -13.153 -4.535
257 HD3 ARG 99 1HD ARG 99 6.647 -11.603 -4.512
258 HE ARG 99 HE ARG 99 5.063 -13.024 -2.949
259 HH11 ARG 99 1HH1 ARG 99 8.597 -13.025 -2.998
260 HH12 ARG 99 2HH1 ARG 99 8.779 -13.175 -1.320
261 HH21 ARG 99 1HH2 ARG 99 5.282 -13.160 -0.630
262 HH22 ARG 99 2HH2 ARG 99 6.828 -13.230 0.072
263 H ILE 100 H ILE 100 4.907 -9.313 -5.702
264 HA ILE 100 HA ILE 100 7.536 -8.144 -5.432
265 HB ILE 100 HB ILE 100 4.928 -7.211 -4.206
266 HG12 ILE 100 2HG1 ILE 100 6.272 -6.266 -6.750
267 HG13 ILE 100 1HG1 ILE 100 4.832 -7.274 -6.690
268 HG21 ILE 100 1HG2 ILE 100 7.553 -5.784 -4.664
269 HG22 ILE 100 2HG2 ILE 100 6.952 -6.373 -3.117
270 HG23 ILE 100 3HG2 ILE 100 6.097 -5.072 -3.955
271 HD11 ILE 100 1HD1 ILE 100 5.076 -4.466 -5.626
272 HD12 ILE 100 2HD1 ILE 100 3.632 -5.471 -5.560
273 HD13 ILE 100 3HD1 ILE 100 4.267 -4.951 -7.119
274 HA PRO 101 HA PRO 101 8.275 -10.229 -1.438
275 HB2 PRO 101 2HB PRO 101 10.193 -7.969 -1.325
276 HB3 PRO 101 1HB PRO 101 10.502 -9.694 -1.059
277 HG2 PRO 101 2HG PRO 101 11.354 -8.576 -3.255
278 HG3 PRO 101 1HG PRO 101 10.590 -10.179 -3.321
279 HD2 PRO 101 2HD PRO 101 9.447 -7.530 -4.078
280 HD3 PRO 101 1HD PRO 101 9.279 -9.116 -4.864
281 H ALA 102 H ALA 102 7.221 -9.846 0.334
282 HA ALA 102 HA ALA 102 5.775 -7.494 0.909
283 HB1 ALA 102 1HB ALA 102 6.669 -9.696 2.790
284 HB2 ALA 102 2HB ALA 102 5.184 -9.695 1.845
285 HB3 ALA 102 3HB ALA 102 5.413 -8.505 3.131
286 H ASP 103 H ASP 103 8.908 -8.660 1.742
287 HA ASP 103 HA ASP 103 9.800 -6.800 3.622
288 HB2 ASP 103 2HB ASP 103 11.296 -8.240 1.419
289 HB3 ASP 103 1HB ASP 103 12.091 -7.282 2.655
290 H VAL 104 H VAL 104 9.760 -6.704 0.081
291 HA VAL 104 HA VAL 104 11.065 -4.178 -0.130
292 HB VAL 104 HB VAL 104 9.502 -5.861 -2.111
293 HG11 VAL 104 1HG1 VAL 104 10.730 -3.147 -2.651
294 HG12 VAL 104 2HG1 VAL 104 9.008 -3.542 -2.678
295 HG13 VAL 104 3HG1 VAL 104 10.092 -4.249 -3.878
296 HG21 VAL 104 1HG2 VAL 104 11.664 -6.009 -3.227
297 HG22 VAL 104 2HG2 VAL 104 11.784 -6.542 -1.546
298 HG23 VAL 104 3HG2 VAL 104 12.368 -4.947 -2.012
299 H ILE 105 H ILE 105 7.730 -5.226 -0.068
300 HA ILE 105 HA ILE 105 6.528 -2.740 -0.575
301 HB ILE 105 HB ILE 105 5.485 -5.056 1.087
302 HG12 ILE 105 2HG1 ILE 105 5.062 -4.318 -1.812
303 HG13 ILE 105 1HG1 ILE 105 6.098 -5.602 -1.233
304 HG21 ILE 105 1HG2 ILE 105 3.980 -2.735 -0.151
305 HG22 ILE 105 2HG2 ILE 105 4.247 -2.992 1.574
306 HG23 ILE 105 3HG2 ILE 105 3.255 -4.127 0.657
307 HD11 ILE 105 1HD1 ILE 105 4.149 -6.781 -0.341
308 HD12 ILE 105 2HD1 ILE 105 3.980 -6.471 -2.068
309 HD13 ILE 105 3HD1 ILE 105 3.108 -5.475 -0.899
310 H ASP 106 H ASP 106 7.503 -4.265 2.466
311 HA ASP 106 HA ASP 106 6.623 -2.188 4.180
312 HB2 ASP 106 2HB ASP 106 7.107 -4.373 5.095
313 HB3 ASP 106 1HB ASP 106 8.762 -4.302 4.511
314 H ALA 107 H ALA 107 9.658 -2.808 2.532
315 HA ALA 107 HA ALA 107 11.131 -0.678 3.634
316 HB1 ALA 107 1HB ALA 107 11.389 -1.995 0.940
317 HB2 ALA 107 2HB ALA 107 12.133 -2.555 2.432
318 HB3 ALA 107 3HB ALA 107 12.635 -1.011 1.724
319 H TYR 108 H TYR 108 9.106 -0.926 0.782
320 HA TYR 108 HA TYR 108 9.440 1.642 -0.280
321 HB2 TYR 108 2HB TYR 108 8.447 -0.085 -1.597
322 HB3 TYR 108 1HB TYR 108 7.160 -0.338 -0.430
323 HD1 TYR 108 1HD TYR 108 8.512 2.074 -2.883
324 HD2 TYR 108 2HD TYR 108 5.123 0.851 -0.651
325 HE1 TYR 108 1HE TYR 108 7.119 3.604 -4.183
326 HE2 TYR 108 2HE TYR 108 3.704 2.386 -1.943
327 HH TYR 108 HH TYR 108 3.951 4.384 -3.229
328 H HIS 109 H HIS 109 7.146 0.397 2.065
329 HA HIS 109 HA HIS 109 5.795 2.888 2.359
330 HB2 HIS 109 2HB HIS 109 5.645 0.266 3.777
331 HB3 HIS 109 1HB HIS 109 4.794 1.640 4.450
332 HD1 HIS 109 1HD HIS 109 2.529 2.183 3.381
333 HD2 HIS 109 2HD HIS 109 4.763 -0.526 1.169
334 HE1 HIS 109 1HE HIS 109 1.021 1.372 1.516
335 H ALA 110 H ALA 110 8.499 1.424 3.916
336 HA ALA 110 HA ALA 110 8.510 3.242 6.134
337 HB1 ALA 110 1HB ALA 110 9.440 0.987 6.336
338 HB2 ALA 110 2HB ALA 110 10.652 2.218 6.695
339 HB3 ALA 110 3HB ALA 110 10.671 1.388 5.140
340 H ALA 111 H ALA 111 10.124 3.027 3.015
341 HA ALA 111 HA ALA 111 11.912 5.184 3.560
342 HB1 ALA 111 1HB ALA 111 12.513 3.404 1.974
343 HB2 ALA 111 2HB ALA 111 12.573 4.994 1.215
344 HB3 ALA 111 3HB ALA 111 11.207 3.921 0.910
345 H ASP 112 H ASP 112 11.215 7.160 3.774
346 HA ASP 112 HA ASP 112 8.914 8.023 2.224
347 HB2 ASP 112 2HB ASP 112 8.781 8.378 4.654
348 HB3 ASP 112 1HB ASP 112 10.224 9.394 4.566
Start of MODEL 9
1 H MET 65 1HT MET 65 21.109 -29.066 -1.188
2 HA MET 65 HA MET 65 21.296 -28.686 -4.103
3 HB2 MET 65 2HB MET 65 19.426 -30.201 -4.313
4 HB3 MET 65 1HB MET 65 20.672 -31.013 -3.384
5 HG2 MET 65 2HG MET 65 18.166 -29.745 -2.280
6 HG3 MET 65 1HG MET 65 18.455 -31.467 -2.504
7 HE1 MET 65 1HE MET 65 17.698 -31.884 -0.022
8 HE2 MET 65 2HE MET 65 17.428 -30.158 0.206
9 HE3 MET 65 3HE MET 65 18.385 -31.063 1.378
10 H SER 66 H SER 66 19.696 -27.409 -5.008
11 HA SER 66 HA SER 66 18.196 -25.824 -3.065
12 HB2 SER 66 2HB SER 66 19.456 -24.857 -5.641
13 HB3 SER 66 1HB SER 66 18.565 -23.874 -4.486
14 HG SER 66 HG SER 66 20.937 -25.321 -3.899
15 H GLY 67 H GLY 67 16.106 -25.155 -3.722
16 HA2 GLY 67 2HA GLY 67 15.061 -26.660 -6.019
17 HA3 GLY 67 1HA GLY 67 14.132 -26.224 -4.587
18 H SER 68 H SER 68 12.625 -25.307 -6.145
19 HA SER 68 HA SER 68 13.461 -22.670 -7.100
20 HB2 SER 68 2HB SER 68 11.669 -23.009 -8.838
21 HB3 SER 68 1HB SER 68 13.039 -24.109 -8.987
22 HG SER 68 HG SER 68 11.813 -25.749 -8.470
23 H GLY 69 H GLY 69 11.445 -21.203 -7.306
24 HA2 GLY 69 2HA GLY 69 9.482 -21.811 -5.221
25 HA3 GLY 69 1HA GLY 69 10.279 -20.242 -5.288
26 H ARG 70 H ARG 70 7.489 -21.639 -5.953
27 HA ARG 70 HA ARG 70 6.959 -19.838 -8.197
28 HB2 ARG 70 2HB ARG 70 5.447 -21.520 -9.175
29 HB3 ARG 70 1HB ARG 70 7.095 -22.111 -9.107
30 HG2 ARG 70 2HG ARG 70 6.517 -23.417 -7.092
31 HG3 ARG 70 1HG ARG 70 4.853 -22.850 -7.233
32 HD2 ARG 70 2HD ARG 70 5.077 -25.074 -8.194
33 HD3 ARG 70 1HD ARG 70 4.698 -23.894 -9.443
34 HE ARG 70 HE ARG 70 7.418 -24.842 -8.923
35 HH11 ARG 70 1HH1 ARG 70 4.785 -24.168 -11.244
36 HH12 ARG 70 2HH1 ARG 70 5.714 -24.565 -12.612
37 HH21 ARG 70 1HH2 ARG 70 8.654 -25.407 -10.844
38 HH22 ARG 70 2HH2 ARG 70 7.952 -25.271 -12.395
39 H GLY 71 H GLY 71 4.678 -19.172 -8.284
40 HA2 GLY 71 2HA GLY 71 2.608 -19.691 -6.725
41 HA3 GLY 71 1HA GLY 71 3.669 -18.887 -5.570
42 H ARG 72 H ARG 72 4.770 -17.151 -7.598
43 HA ARG 72 HA ARG 72 4.548 -15.106 -8.426
44 HB2 ARG 72 2HB ARG 72 1.686 -15.895 -9.038
45 HB3 ARG 72 1HB ARG 72 2.488 -14.459 -9.652
46 HG2 ARG 72 2HG ARG 72 4.087 -15.879 -10.847
47 HG3 ARG 72 1HG ARG 72 3.256 -17.311 -10.227
48 HD2 ARG 72 2HD ARG 72 1.185 -16.520 -11.336
49 HD3 ARG 72 1HD ARG 72 2.108 -15.191 -12.035
50 HE ARG 72 HE ARG 72 3.408 -17.564 -12.667
51 HH11 ARG 72 1HH1 ARG 72 0.488 -15.769 -13.549
52 HH12 ARG 72 2HH1 ARG 72 0.234 -16.623 -14.993
53 HH21 ARG 72 1HH2 ARG 72 3.060 -18.724 -14.687
54 HH22 ARG 72 2HH2 ARG 72 1.718 -18.325 -15.661
55 H GLY 73 H GLY 73 1.226 -15.160 -7.333
56 HA2 GLY 73 2HA GLY 73 0.505 -14.244 -5.245
57 HA3 GLY 73 1HA GLY 73 2.008 -13.330 -5.190
58 H ALA 74 H ALA 74 -1.206 -13.207 -5.875
59 HA ALA 74 HA ALA 74 -0.930 -10.896 -7.605
60 HB1 ALA 74 1HB ALA 74 -3.342 -12.455 -6.688
61 HB2 ALA 74 2HB ALA 74 -2.586 -12.556 -8.283
62 HB3 ALA 74 3HB ALA 74 -3.380 -11.060 -7.770
63 H ILE 75 H ILE 75 -0.599 -9.144 -6.475
64 HA ILE 75 HA ILE 75 -1.695 -9.070 -3.793
65 HB ILE 75 HB ILE 75 0.682 -7.641 -4.904
66 HG12 ILE 75 2HG1 ILE 75 0.692 -10.012 -3.027
67 HG13 ILE 75 1HG1 ILE 75 0.882 -10.158 -4.769
68 HG21 ILE 75 1HG2 ILE 75 1.208 -7.191 -2.499
69 HG22 ILE 75 2HG2 ILE 75 -0.336 -7.944 -2.068
70 HG23 ILE 75 3HG2 ILE 75 -0.307 -6.477 -3.052
71 HD11 ILE 75 1HD1 ILE 75 2.718 -8.660 -2.925
72 HD12 ILE 75 2HD1 ILE 75 2.895 -8.871 -4.680
73 HD13 ILE 75 3HD1 ILE 75 2.992 -10.269 -3.612
74 H ASP 76 H ASP 76 -3.382 -7.801 -3.926
75 HA ASP 76 HA ASP 76 -3.428 -5.587 -5.815
76 HB2 ASP 76 2HB ASP 76 -5.389 -7.019 -5.923
77 HB3 ASP 76 1HB ASP 76 -5.732 -6.725 -4.224
78 H ARG 77 H ARG 77 -2.436 -3.981 -5.056
79 HA ARG 77 HA ARG 77 -3.459 -2.731 -2.623
80 HB2 ARG 77 2HB ARG 77 -0.638 -3.183 -3.454
81 HB3 ARG 77 1HB ARG 77 -0.998 -1.569 -2.868
82 HG2 ARG 77 2HG ARG 77 -0.158 -2.986 -1.068
83 HG3 ARG 77 1HG ARG 77 -1.827 -2.505 -0.771
84 HD2 ARG 77 2HD ARG 77 -2.517 -4.722 -1.735
85 HD3 ARG 77 1HD ARG 77 -0.811 -5.145 -1.742
86 HE ARG 77 HE ARG 77 -0.812 -4.900 0.657
87 HH11 ARG 77 1HH1 ARG 77 -4.010 -5.260 -0.904
88 HH12 ARG 77 2HH1 ARG 77 -4.756 -5.893 0.470
89 HH21 ARG 77 1HH2 ARG 77 -1.884 -5.804 2.570
90 HH22 ARG 77 2HH2 ARG 77 -3.525 -6.220 2.486
91 H GLU 78 H GLU 78 -3.289 -0.346 -2.744
92 HA GLU 78 HA GLU 78 -4.539 0.510 -5.119
93 HB2 GLU 78 2HB GLU 78 -4.621 1.412 -2.642
94 HB3 GLU 78 1HB GLU 78 -3.234 2.359 -3.126
95 HG2 GLU 78 2HG GLU 78 -5.956 2.483 -4.425
96 HG3 GLU 78 1HG GLU 78 -5.372 3.595 -3.200
97 H GLN 79 H GLN 79 -1.362 1.031 -3.704
98 HA GLN 79 HA GLN 79 -0.398 1.771 -6.340
99 HB2 GLN 79 2HB GLN 79 0.628 2.637 -3.635
100 HB3 GLN 79 1HB GLN 79 1.415 3.011 -5.163
101 HG2 GLN 79 2HG GLN 79 -1.378 3.815 -4.403
102 HG3 GLN 79 1HG GLN 79 0.042 4.862 -4.361
103 HE21 GLN 79 1HE2 GLN 79 -2.477 4.901 -5.931
104 HE22 GLN 79 2HE2 GLN 79 -2.002 5.004 -7.580
105 H SER 80 H SER 80 0.166 -0.226 -7.027
106 HA SER 80 HA SER 80 2.223 -1.553 -5.425
107 HB2 SER 80 2HB SER 80 1.575 -3.694 -6.587
108 HB3 SER 80 1HB SER 80 0.314 -3.022 -5.560
109 HG SER 80 HG SER 80 -0.652 -2.157 -7.471
110 H ALA 81 H ALA 81 1.318 -0.436 -8.611
111 HA ALA 81 HA ALA 81 3.657 -1.371 -9.908
112 HB1 ALA 81 1HB ALA 81 2.988 0.130 -11.725
113 HB2 ALA 81 2HB ALA 81 1.798 0.889 -10.675
114 HB3 ALA 81 3HB ALA 81 1.596 -0.791 -11.157
115 H ALA 82 H ALA 82 2.695 1.513 -8.237
116 HA ALA 82 HA ALA 82 4.949 3.112 -8.737
117 HB1 ALA 82 1HB ALA 82 3.231 3.080 -6.256
118 HB2 ALA 82 2HB ALA 82 2.869 3.968 -7.735
119 HB3 ALA 82 3HB ALA 82 4.288 4.395 -6.773
120 H ILE 83 H ILE 83 4.425 0.493 -6.477
121 HA ILE 83 HA ILE 83 6.783 0.918 -4.941
122 HB ILE 83 HB ILE 83 5.209 -1.651 -5.375
123 HG12 ILE 83 2HG1 ILE 83 5.076 0.389 -3.142
124 HG13 ILE 83 1HG1 ILE 83 3.853 0.122 -4.377
125 HG21 ILE 83 1HG2 ILE 83 7.470 -2.117 -4.581
126 HG22 ILE 83 2HG2 ILE 83 6.290 -2.449 -3.309
127 HG23 ILE 83 3HG2 ILE 83 7.256 -0.975 -3.252
128 HD11 ILE 83 1HD1 ILE 83 4.682 -1.837 -2.251
129 HD12 ILE 83 2HD1 ILE 83 3.451 -2.122 -3.480
130 HD13 ILE 83 3HD1 ILE 83 3.206 -0.872 -2.258
131 H ARG 84 H ARG 84 5.955 -1.084 -7.718
132 HA ARG 84 HA ARG 84 8.441 -2.321 -8.142
133 HB2 ARG 84 2HB ARG 84 6.284 -1.528 -10.096
134 HB3 ARG 84 1HB ARG 84 7.714 -2.422 -10.583
135 HG2 ARG 84 2HG ARG 84 7.066 -4.254 -9.114
136 HG3 ARG 84 1HG ARG 84 5.654 -3.335 -8.581
137 HD2 ARG 84 2HD ARG 84 4.688 -3.390 -10.761
138 HD3 ARG 84 1HD ARG 84 6.165 -4.036 -11.467
139 HE ARG 84 HE ARG 84 5.721 -6.070 -10.137
140 HH11 ARG 84 1HH1 ARG 84 2.922 -3.956 -10.865
141 HH12 ARG 84 2HH1 ARG 84 1.853 -5.240 -10.998
142 HH21 ARG 84 1HH2 ARG 84 4.184 -7.811 -10.385
143 HH22 ARG 84 2HH2 ARG 84 2.553 -7.473 -10.754
144 H GLU 85 H GLU 85 7.203 0.770 -9.186
145 HA GLU 85 HA GLU 85 9.329 1.634 -10.808
146 HB2 GLU 85 2HB GLU 85 7.411 3.202 -9.089
147 HB3 GLU 85 1HB GLU 85 8.549 3.956 -10.196
148 HG2 GLU 85 2HG GLU 85 6.333 2.071 -10.933
149 HG3 GLU 85 1HG GLU 85 6.312 3.820 -11.130
150 H TRP 86 H TRP 86 8.635 2.424 -7.447
151 HA TRP 86 HA TRP 86 10.930 3.816 -6.795
152 HB2 TRP 86 2HB TRP 86 8.983 3.793 -5.383
153 HB3 TRP 86 1HB TRP 86 9.123 2.063 -5.134
154 HD1 TRP 86 HD TRP 86 10.578 5.397 -3.967
155 HE1 TRP 86 1HE TRP 86 11.892 4.998 -1.798
156 HE3 TRP 86 3HE TRP 86 10.431 0.304 -3.883
157 HZ2 TRP 86 2HZ TRP 86 12.749 2.769 -0.240
158 HZ3 TRP 86 3HZ TRP 86 11.512 -0.881 -2.047
159 HH2 TRP 86 HH TRP 86 12.650 0.330 -0.251
160 H ALA 87 H ALA 87 10.293 0.367 -6.640
161 HA ALA 87 HA ALA 87 12.681 -0.474 -5.482
162 HB1 ALA 87 1HB ALA 87 12.115 -2.680 -6.456
163 HB2 ALA 87 2HB ALA 87 10.884 -1.887 -7.449
164 HB3 ALA 87 3HB ALA 87 10.725 -1.898 -5.699
165 H ARG 88 H ARG 88 11.813 -0.183 -8.936
166 HA ARG 88 HA ARG 88 14.416 -0.933 -9.798
167 HB2 ARG 88 2HB ARG 88 12.094 0.332 -11.235
168 HB3 ARG 88 1HB ARG 88 13.609 -0.045 -12.041
169 HG2 ARG 88 2HG ARG 88 12.192 -2.192 -10.533
170 HG3 ARG 88 1HG ARG 88 11.587 -1.715 -12.118
171 HD2 ARG 88 2HD ARG 88 13.113 -3.656 -12.235
172 HD3 ARG 88 1HD ARG 88 13.703 -2.285 -13.147
173 HE ARG 88 HE ARG 88 15.165 -1.885 -11.099
174 HH11 ARG 88 1HH1 ARG 88 14.202 -5.160 -12.073
175 HH12 ARG 88 2HH1 ARG 88 15.672 -5.878 -11.579
176 HH21 ARG 88 1HH2 ARG 88 17.155 -2.895 -10.452
177 HH22 ARG 88 2HH2 ARG 88 17.396 -4.567 -10.642
178 H ARG 89 H ARG 89 12.984 2.087 -8.900
179 HA ARG 89 HA ARG 89 14.955 3.799 -10.017
180 HB2 ARG 89 2HB ARG 89 13.268 4.203 -7.538
181 HB3 ARG 89 1HB ARG 89 14.256 5.447 -8.280
182 HG2 ARG 89 2HG ARG 89 12.881 5.298 -10.312
183 HG3 ARG 89 1HG ARG 89 11.880 4.076 -9.518
184 HD2 ARG 89 2HD ARG 89 11.388 5.727 -7.729
185 HD3 ARG 89 1HD ARG 89 12.292 6.922 -8.653
186 HE ARG 89 HE ARG 89 10.104 5.607 -10.006
187 HH11 ARG 89 1HH1 ARG 89 11.295 8.540 -8.393
188 HH12 ARG 89 2HH1 ARG 89 9.961 9.491 -8.857
189 HH21 ARG 89 1HH2 ARG 89 8.237 6.955 -10.593
190 HH22 ARG 89 2HH2 ARG 89 8.199 8.575 -10.085
191 H ASN 90 H ASN 90 14.658 2.193 -6.909
192 HA ASN 90 HA ASN 90 17.173 3.156 -5.950
193 HB2 ASN 90 2HB ASN 90 15.204 1.145 -4.978
194 HB3 ASN 90 1HB ASN 90 16.779 1.165 -4.227
195 HD21 ASN 90 1HD2 ASN 90 13.739 2.655 -4.512
196 HD22 ASN 90 2HD2 ASN 90 13.986 3.917 -3.368
197 H GLY 91 H GLY 91 16.040 0.131 -7.268
198 HA2 GLY 91 2HA GLY 91 17.610 -0.928 -8.861
199 HA3 GLY 91 1HA GLY 91 18.857 -0.642 -7.651
200 H HIS 92 H HIS 92 15.587 -1.715 -6.959
201 HA HIS 92 HA HIS 92 16.690 -4.180 -5.820
202 HB2 HIS 92 2HB HIS 92 13.842 -3.169 -5.570
203 HB3 HIS 92 1HB HIS 92 14.627 -4.388 -4.590
204 HD1 HIS 92 1HD HIS 92 17.120 -2.737 -3.606
205 HD2 HIS 92 2HD HIS 92 13.227 -1.309 -3.791
206 HE1 HIS 92 1HE HIS 92 16.986 -0.729 -2.055
207 H ASN 93 H ASN 93 15.901 -6.150 -6.571
208 HA ASN 93 HA ASN 93 14.753 -5.942 -9.229
209 HB2 ASN 93 2HB ASN 93 16.224 -8.176 -7.869
210 HB3 ASN 93 1HB ASN 93 15.342 -8.423 -9.374
211 HD21 ASN 93 1HD2 ASN 93 18.110 -6.929 -7.888
212 HD22 ASN 93 2HD2 ASN 93 18.879 -6.482 -9.367
213 H VAL 94 H VAL 94 12.715 -6.070 -9.479
214 HA VAL 94 HA VAL 94 11.052 -7.600 -7.649
215 HB VAL 94 HB VAL 94 10.257 -5.992 -10.115
216 HG11 VAL 94 1HG1 VAL 94 8.012 -6.002 -9.193
217 HG12 VAL 94 2HG1 VAL 94 8.571 -6.938 -7.810
218 HG13 VAL 94 3HG1 VAL 94 8.598 -7.651 -9.423
219 HG21 VAL 94 1HG2 VAL 94 11.327 -4.532 -8.486
220 HG22 VAL 94 2HG2 VAL 94 10.249 -5.127 -7.224
221 HG23 VAL 94 3HG2 VAL 94 9.596 -4.204 -8.578
222 H SER 95 H SER 95 9.895 -9.469 -8.378
223 HA SER 95 HA SER 95 11.271 -11.028 -10.256
224 HB2 SER 95 2HB SER 95 8.535 -11.475 -9.108
225 HB3 SER 95 1HB SER 95 9.667 -12.702 -9.680
226 HG SER 95 HG SER 95 11.118 -11.759 -8.013
227 H THR 96 H THR 96 11.124 -10.648 -12.440
228 HA THR 96 HA THR 96 9.009 -9.252 -13.661
229 HB THR 96 HB THR 96 10.201 -10.061 -15.779
230 HG1 THR 96 1HG THR 96 12.409 -10.816 -15.147
231 HG21 THR 96 1HG2 THR 96 12.134 -8.578 -15.394
232 HG22 THR 96 2HG2 THR 96 11.822 -8.627 -13.660
233 HG23 THR 96 3HG2 THR 96 10.655 -7.872 -14.742
234 H ARG 97 H ARG 97 9.609 -12.521 -12.940
235 HA ARG 97 HA ARG 97 7.798 -13.782 -14.743
236 HB2 ARG 97 2HB ARG 97 8.743 -14.720 -12.027
237 HB3 ARG 97 1HB ARG 97 7.998 -15.723 -13.261
238 HG2 ARG 97 2HG ARG 97 9.878 -15.367 -14.731
239 HG3 ARG 97 1HG ARG 97 10.621 -14.279 -13.563
240 HD2 ARG 97 2HD ARG 97 10.700 -16.164 -11.947
241 HD3 ARG 97 1HD ARG 97 10.070 -17.222 -13.209
242 HE ARG 97 HE ARG 97 12.437 -15.746 -13.916
243 HH11 ARG 97 1HH1 ARG 97 11.239 -18.800 -12.549
244 HH12 ARG 97 2HH1 ARG 97 12.676 -19.650 -12.883
245 HH21 ARG 97 1HH2 ARG 97 14.383 -16.947 -14.355
246 HH22 ARG 97 2HH2 ARG 97 14.455 -18.608 -13.950
247 H GLY 98 H GLY 98 7.346 -11.837 -12.010
248 HA2 GLY 98 2HA GLY 98 5.125 -11.041 -11.555
249 HA3 GLY 98 1HA GLY 98 4.543 -12.680 -11.824
250 H ARG 99 H ARG 99 6.023 -10.488 -9.613
251 HA ARG 99 HA ARG 99 4.906 -11.508 -7.314
252 HB2 ARG 99 2HB ARG 99 6.551 -13.434 -7.598
253 HB3 ARG 99 1HB ARG 99 7.855 -12.264 -7.461
254 HG2 ARG 99 2HG ARG 99 6.841 -11.627 -5.218
255 HG3 ARG 99 1HG ARG 99 5.884 -13.099 -5.359
256 HD2 ARG 99 2HD ARG 99 7.824 -13.598 -4.058
257 HD3 ARG 99 1HD ARG 99 8.020 -14.363 -5.636
258 HE ARG 99 HE ARG 99 9.439 -12.413 -6.229
259 HH11 ARG 99 1HH1 ARG 99 9.143 -13.412 -2.804
260 HH12 ARG 99 2HH1 ARG 99 10.594 -12.675 -2.348
261 HH21 ARG 99 1HH2 ARG 99 11.459 -11.406 -5.512
262 HH22 ARG 99 2HH2 ARG 99 11.922 -11.493 -3.891
263 H ILE 100 H ILE 100 4.909 -9.777 -6.028
264 HA ILE 100 HA ILE 100 7.053 -7.813 -6.388
265 HB ILE 100 HB ILE 100 4.391 -7.505 -4.953
266 HG12 ILE 100 2HG1 ILE 100 5.222 -6.406 -7.657
267 HG13 ILE 100 1HG1 ILE 100 4.169 -7.795 -7.428
268 HG21 ILE 100 1HG2 ILE 100 4.934 -5.102 -4.938
269 HG22 ILE 100 2HG2 ILE 100 6.495 -5.462 -5.688
270 HG23 ILE 100 3HG2 ILE 100 6.133 -6.068 -4.072
271 HD11 ILE 100 1HD1 ILE 100 2.909 -5.788 -7.941
272 HD12 ILE 100 2HD1 ILE 100 3.594 -4.982 -6.524
273 HD13 ILE 100 3HD1 ILE 100 2.534 -6.381 -6.324
274 HA PRO 101 HA PRO 101 8.571 -9.682 -2.530
275 HB2 PRO 101 2HB PRO 101 10.292 -7.285 -2.525
276 HB3 PRO 101 1HB PRO 101 10.760 -8.995 -2.475
277 HG2 PRO 101 2HG PRO 101 11.170 -7.562 -4.660
278 HG3 PRO 101 1HG PRO 101 10.662 -9.260 -4.746
279 HD2 PRO 101 2HD PRO 101 9.047 -6.797 -5.185
280 HD3 PRO 101 1HD PRO 101 8.997 -8.361 -6.028
281 H ALA 102 H ALA 102 7.499 -9.501 -0.789
282 HA ALA 102 HA ALA 102 6.037 -7.251 0.059
283 HB1 ALA 102 1HB ALA 102 5.702 -8.497 2.138
284 HB2 ALA 102 2HB ALA 102 6.945 -9.651 1.652
285 HB3 ALA 102 3HB ALA 102 5.444 -9.523 0.730
286 H ASP 103 H ASP 103 9.203 -8.446 0.740
287 HA ASP 103 HA ASP 103 9.987 -6.752 2.826
288 HB2 ASP 103 2HB ASP 103 11.604 -7.936 0.557
289 HB3 ASP 103 1HB ASP 103 12.320 -7.047 1.895
290 H VAL 104 H VAL 104 9.981 -6.317 -0.665
291 HA VAL 104 HA VAL 104 11.123 -3.715 -0.623
292 HB VAL 104 HB VAL 104 9.625 -5.270 -2.752
293 HG11 VAL 104 1HG1 VAL 104 10.085 -3.466 -4.346
294 HG12 VAL 104 2HG1 VAL 104 10.670 -2.444 -3.025
295 HG13 VAL 104 3HG1 VAL 104 8.979 -2.965 -3.068
296 HG21 VAL 104 1HG2 VAL 104 11.941 -5.884 -2.301
297 HG22 VAL 104 2HG2 VAL 104 12.442 -4.212 -2.576
298 HG23 VAL 104 3HG2 VAL 104 11.778 -5.162 -3.904
299 H ILE 105 H ILE 105 7.836 -4.929 -0.638
300 HA ILE 105 HA ILE 105 6.492 -2.481 -0.859
301 HB ILE 105 HB ILE 105 5.619 -5.007 0.584
302 HG12 ILE 105 2HG1 ILE 105 5.042 -3.998 -2.204
303 HG13 ILE 105 1HG1 ILE 105 6.159 -5.281 -1.810
304 HG21 ILE 105 1HG2 ILE 105 3.944 -2.657 -0.323
305 HG22 ILE 105 2HG2 ILE 105 4.289 -3.103 1.350
306 HG23 ILE 105 3HG2 ILE 105 3.317 -4.168 0.336
307 HD11 ILE 105 1HD1 ILE 105 3.171 -5.329 -1.366
308 HD12 ILE 105 2HD1 ILE 105 4.276 -6.633 -0.944
309 HD13 ILE 105 3HD1 ILE 105 4.047 -6.183 -2.634
310 H ASP 106 H ASP 106 7.548 -4.239 2.035
311 HA ASP 106 HA ASP 106 6.595 -2.318 3.900
312 HB2 ASP 106 2HB ASP 106 7.096 -4.546 4.692
313 HB3 ASP 106 1HB ASP 106 8.763 -4.412 4.148
314 H ALA 107 H ALA 107 9.732 -2.812 2.376
315 HA ALA 107 HA ALA 107 11.094 -0.710 3.590
316 HB1 ALA 107 1HB ALA 107 12.160 -2.435 2.230
317 HB2 ALA 107 2HB ALA 107 12.604 -0.819 1.658
318 HB3 ALA 107 3HB ALA 107 11.388 -1.776 0.791
319 H TYR 108 H TYR 108 9.072 -0.742 0.698
320 HA TYR 108 HA TYR 108 9.368 1.927 -0.093
321 HB2 TYR 108 2HB TYR 108 8.397 0.308 -1.561
322 HB3 TYR 108 1HB TYR 108 7.075 -0.018 -0.453
323 HD1 TYR 108 1HD TYR 108 8.502 2.452 -2.774
324 HD2 TYR 108 2HD TYR 108 5.088 1.357 -0.503
325 HE1 TYR 108 1HE TYR 108 7.181 4.121 -3.977
326 HE2 TYR 108 2HE TYR 108 3.745 3.039 -1.705
327 HH TYR 108 HH TYR 108 4.979 4.668 -4.511
328 H HIS 109 H HIS 109 7.095 0.423 2.125
329 HA HIS 109 HA HIS 109 5.711 2.866 2.644
330 HB2 HIS 109 2HB HIS 109 5.583 0.129 3.835
331 HB3 HIS 109 1HB HIS 109 4.737 1.441 4.625
332 HD1 HIS 109 1HD HIS 109 2.560 2.289 3.451
333 HD2 HIS 109 2HD HIS 109 4.558 -0.678 1.355
334 HE1 HIS 109 1HE HIS 109 0.947 1.467 1.695
335 H ALA 110 H ALA 110 8.429 1.287 4.077
336 HA ALA 110 HA ALA 110 8.360 2.848 6.506
337 HB1 ALA 110 1HB ALA 110 10.541 1.072 5.430
338 HB2 ALA 110 2HB ALA 110 9.230 0.552 6.483
339 HB3 ALA 110 3HB ALA 110 10.422 1.711 7.069
340 H ALA 111 H ALA 111 10.106 2.930 3.466
341 HA ALA 111 HA ALA 111 11.824 5.045 4.420
342 HB1 ALA 111 1HB ALA 111 12.891 4.908 2.236
343 HB2 ALA 111 2HB ALA 111 11.638 3.800 1.679
344 HB3 ALA 111 3HB ALA 111 12.745 3.305 2.958
345 H ASP 112 H ASP 112 11.778 7.110 3.776
346 HA ASP 112 HA ASP 112 9.867 8.029 1.840
347 HB2 ASP 112 2HB ASP 112 8.487 8.135 3.852
348 HB3 ASP 112 1HB ASP 112 9.781 8.938 4.732
Start of MODEL 10
1 H MET 65 1HT MET 65 13.606 -6.578 25.235
2 HA MET 65 HA MET 65 12.301 -8.353 24.234
3 HB2 MET 65 2HB MET 65 10.615 -6.737 26.181
4 HB3 MET 65 1HB MET 65 10.456 -8.449 25.854
5 HG2 MET 65 2HG MET 65 12.634 -8.861 26.862
6 HG3 MET 65 1HG MET 65 12.842 -7.135 27.147
7 HE1 MET 65 1HE MET 65 12.297 -8.398 30.783
8 HE2 MET 65 2HE MET 65 13.305 -7.435 29.704
9 HE3 MET 65 3HE MET 65 13.212 -9.184 29.496
10 H SER 66 H SER 66 11.637 -8.222 22.171
11 HA SER 66 HA SER 66 10.255 -8.088 20.439
12 HB2 SER 66 2HB SER 66 8.196 -7.045 22.399
13 HB3 SER 66 1HB SER 66 7.855 -7.551 20.746
14 HG SER 66 HG SER 66 8.037 -9.556 21.288
15 H GLY 67 H GLY 67 11.286 -6.666 19.193
16 HA2 GLY 67 2HA GLY 67 10.801 -3.811 19.633
17 HA3 GLY 67 1HA GLY 67 12.081 -4.504 18.634
18 H SER 68 H SER 68 11.745 -4.539 16.531
19 HA SER 68 HA SER 68 9.129 -3.822 15.526
20 HB2 SER 68 2HB SER 68 11.754 -4.189 14.062
21 HB3 SER 68 1HB SER 68 10.294 -3.425 13.427
22 HG SER 68 HG SER 68 11.441 -2.471 15.809
23 H GLY 69 H GLY 69 7.773 -5.474 15.212
24 HA2 GLY 69 2HA GLY 69 8.396 -7.661 13.512
25 HA3 GLY 69 1HA GLY 69 8.467 -8.180 15.189
26 H ARG 70 H ARG 70 6.329 -5.924 13.553
27 HA ARG 70 HA ARG 70 4.085 -7.703 14.156
28 HB2 ARG 70 2HB ARG 70 4.223 -4.731 14.661
29 HB3 ARG 70 1HB ARG 70 2.692 -5.532 14.392
30 HG2 ARG 70 2HG ARG 70 2.937 -5.306 16.718
31 HG3 ARG 70 1HG ARG 70 3.245 -7.000 16.364
32 HD2 ARG 70 2HD ARG 70 5.668 -6.556 16.508
33 HD3 ARG 70 1HD ARG 70 5.304 -4.869 16.892
34 HE ARG 70 HE ARG 70 4.092 -6.857 18.581
35 HH11 ARG 70 1HH1 ARG 70 6.849 -4.636 18.177
36 HH12 ARG 70 2HH1 ARG 70 7.155 -4.530 19.827
37 HH21 ARG 70 1HH2 ARG 70 4.589 -6.696 20.879
38 HH22 ARG 70 2HH2 ARG 70 5.861 -5.689 21.377
39 H GLY 71 H GLY 71 5.617 -7.442 11.781
40 HA2 GLY 71 2HA GLY 71 3.969 -5.908 9.943
41 HA3 GLY 71 1HA GLY 71 5.440 -6.794 9.548
42 H ARG 72 H ARG 72 2.071 -7.019 10.134
43 HA ARG 72 HA ARG 72 2.157 -9.825 9.362
44 HB2 ARG 72 2HB ARG 72 -0.018 -8.271 10.758
45 HB3 ARG 72 1HB ARG 72 -0.123 -9.968 10.334
46 HG2 ARG 72 2HG ARG 72 1.725 -10.484 11.809
47 HG3 ARG 72 1HG ARG 72 1.934 -8.770 12.180
48 HD2 ARG 72 2HD ARG 72 -0.536 -10.395 12.760
49 HD3 ARG 72 1HD ARG 72 0.704 -9.970 13.942
50 HE ARG 72 HE ARG 72 -0.010 -7.578 12.995
51 HH11 ARG 72 1HH1 ARG 72 -2.018 -10.261 14.115
52 HH12 ARG 72 2HH1 ARG 72 -3.243 -9.277 14.754
53 HH21 ARG 72 1HH2 ARG 72 -1.701 -6.216 13.857
54 HH22 ARG 72 2HH2 ARG 72 -3.086 -6.931 14.554
55 H GLY 73 H GLY 73 1.342 -6.762 8.213
56 HA2 GLY 73 2HA GLY 73 -0.827 -7.675 6.511
57 HA3 GLY 73 1HA GLY 73 -0.274 -6.019 6.694
58 H ALA 74 H ALA 74 0.945 -9.141 5.473
59 HA ALA 74 HA ALA 74 2.179 -7.661 3.237
60 HB1 ALA 74 1HB ALA 74 2.654 -10.534 4.031
61 HB2 ALA 74 2HB ALA 74 3.674 -9.181 4.532
62 HB3 ALA 74 3HB ALA 74 3.550 -9.612 2.826
63 H ILE 75 H ILE 75 -0.489 -8.076 3.535
64 HA ILE 75 HA ILE 75 -1.410 -9.967 1.611
65 HB ILE 75 HB ILE 75 -2.759 -7.481 2.720
66 HG12 ILE 75 2HG1 ILE 75 -2.110 -8.849 4.578
67 HG13 ILE 75 1HG1 ILE 75 -3.850 -9.017 4.331
68 HG21 ILE 75 1HG2 ILE 75 -4.853 -8.607 2.181
69 HG22 ILE 75 2HG2 ILE 75 -3.911 -9.955 1.503
70 HG23 ILE 75 3HG2 ILE 75 -3.822 -8.349 0.761
71 HD11 ILE 75 1HD1 ILE 75 -3.452 -11.185 3.225
72 HD12 ILE 75 2HD1 ILE 75 -2.847 -11.150 4.883
73 HD13 ILE 75 3HD1 ILE 75 -1.722 -10.983 3.531
74 H ASP 76 H ASP 76 -2.372 -9.252 -0.457
75 HA ASP 76 HA ASP 76 -0.547 -7.772 -2.007
76 HB2 ASP 76 2HB ASP 76 -2.239 -9.533 -2.822
77 HB3 ASP 76 1HB ASP 76 -3.422 -8.230 -2.796
78 H ARG 77 H ARG 77 -0.507 -5.667 -2.671
79 HA ARG 77 HA ARG 77 -2.433 -4.029 -1.225
80 HB2 ARG 77 2HB ARG 77 0.463 -3.488 -1.705
81 HB3 ARG 77 1HB ARG 77 -0.665 -2.244 -1.164
82 HG2 ARG 77 2HG ARG 77 -1.270 -3.604 0.714
83 HG3 ARG 77 1HG ARG 77 -0.098 -4.835 0.235
84 HD2 ARG 77 2HD ARG 77 1.688 -3.144 0.504
85 HD3 ARG 77 1HD ARG 77 0.469 -1.986 1.049
86 HE ARG 77 HE ARG 77 0.457 -4.452 2.485
87 HH11 ARG 77 1HH1 ARG 77 1.973 -1.258 2.359
88 HH12 ARG 77 2HH1 ARG 77 2.341 -1.236 4.028
89 HH21 ARG 77 1HH2 ARG 77 0.970 -4.361 4.779
90 HH22 ARG 77 2HH2 ARG 77 1.763 -2.967 5.403
91 H GLU 78 H GLU 78 -3.102 -2.146 -1.889
92 HA GLU 78 HA GLU 78 -4.133 -1.819 -4.384
93 HB2 GLU 78 2HB GLU 78 -4.701 -0.640 -2.264
94 HB3 GLU 78 1HB GLU 78 -3.257 0.314 -2.457
95 HG2 GLU 78 2HG GLU 78 -5.243 1.545 -3.176
96 HG3 GLU 78 1HG GLU 78 -4.118 1.282 -4.510
97 H GLN 79 H GLN 79 -1.380 -0.012 -3.056
98 HA GLN 79 HA GLN 79 -0.461 0.634 -5.718
99 HB2 GLN 79 2HB GLN 79 0.702 1.278 -2.996
100 HB3 GLN 79 1HB GLN 79 1.360 1.833 -4.523
101 HG2 GLN 79 2HG GLN 79 -0.607 3.148 -4.943
102 HG3 GLN 79 1HG GLN 79 -1.381 2.523 -3.488
103 HE21 GLN 79 1HE2 GLN 79 -0.726 5.265 -4.204
104 HE22 GLN 79 2HE2 GLN 79 0.281 5.865 -2.941
105 H SER 80 H SER 80 0.405 -1.079 -6.667
106 HA SER 80 HA SER 80 2.613 -2.359 -5.267
107 HB2 SER 80 2HB SER 80 1.816 -4.389 -6.838
108 HB3 SER 80 1HB SER 80 1.262 -4.204 -5.179
109 HG SER 80 HG SER 80 -0.637 -3.507 -5.864
110 H ALA 81 H ALA 81 1.293 -1.173 -8.280
111 HA ALA 81 HA ALA 81 3.485 -1.995 -9.878
112 HB1 ALA 81 1HB ALA 81 1.324 -1.389 -10.860
113 HB2 ALA 81 2HB ALA 81 2.624 -0.402 -11.532
114 HB3 ALA 81 3HB ALA 81 1.538 0.276 -10.318
115 H ALA 82 H ALA 82 2.688 0.853 -8.044
116 HA ALA 82 HA ALA 82 4.874 2.455 -8.754
117 HB1 ALA 82 1HB ALA 82 3.304 2.418 -6.176
118 HB2 ALA 82 2HB ALA 82 2.877 3.321 -7.628
119 HB3 ALA 82 3HB ALA 82 4.342 3.733 -6.733
120 H ILE 83 H ILE 83 4.489 -0.151 -6.486
121 HA ILE 83 HA ILE 83 6.901 0.240 -5.038
122 HB ILE 83 HB ILE 83 5.327 -2.334 -5.453
123 HG12 ILE 83 2HG1 ILE 83 5.232 -0.280 -3.240
124 HG13 ILE 83 1HG1 ILE 83 3.952 -0.645 -4.388
125 HG21 ILE 83 1HG2 ILE 83 6.455 -3.148 -3.432
126 HG22 ILE 83 2HG2 ILE 83 7.427 -1.681 -3.387
127 HG23 ILE 83 3HG2 ILE 83 7.604 -2.809 -4.731
128 HD11 ILE 83 1HD1 ILE 83 5.003 -2.463 -2.234
129 HD12 ILE 83 2HD1 ILE 83 3.761 -2.898 -3.408
130 HD13 ILE 83 3HD1 ILE 83 3.455 -1.615 -2.233
131 H ARG 84 H ARG 84 6.019 -1.714 -7.838
132 HA ARG 84 HA ARG 84 8.455 -3.009 -8.352
133 HB2 ARG 84 2HB ARG 84 6.366 -1.998 -10.284
134 HB3 ARG 84 1HB ARG 84 7.675 -3.079 -10.726
135 HG2 ARG 84 2HG ARG 84 6.782 -4.832 -9.409
136 HG3 ARG 84 1HG ARG 84 5.627 -3.747 -8.633
137 HD2 ARG 84 2HD ARG 84 4.552 -5.127 -10.343
138 HD3 ARG 84 1HD ARG 84 4.471 -3.419 -10.749
139 HE ARG 84 HE ARG 84 6.317 -5.352 -11.951
140 HH11 ARG 84 1HH1 ARG 84 4.421 -2.345 -12.219
141 HH12 ARG 84 2HH1 ARG 84 4.578 -2.238 -13.911
142 HH21 ARG 84 1HH2 ARG 84 6.457 -5.181 -14.301
143 HH22 ARG 84 2HH2 ARG 84 5.759 -3.854 -15.118
144 H GLU 85 H GLU 85 7.223 0.075 -9.492
145 HA GLU 85 HA GLU 85 9.467 0.717 -11.095
146 HB2 GLU 85 2HB GLU 85 7.397 2.557 -9.897
147 HB3 GLU 85 1HB GLU 85 8.486 2.957 -11.223
148 HG2 GLU 85 2HG GLU 85 6.374 0.811 -11.270
149 HG3 GLU 85 1HG GLU 85 6.247 2.390 -12.033
150 H TRP 86 H TRP 86 8.569 1.574 -7.816
151 HA TRP 86 HA TRP 86 10.725 3.245 -7.141
152 HB2 TRP 86 2HB TRP 86 8.730 3.038 -5.769
153 HB3 TRP 86 1HB TRP 86 9.050 1.334 -5.505
154 HD1 TRP 86 HD TRP 86 10.113 4.801 -4.356
155 HE1 TRP 86 1HE TRP 86 11.368 4.593 -2.131
156 HE3 TRP 86 3HE TRP 86 10.487 -0.258 -4.172
157 HZ2 TRP 86 2HZ TRP 86 12.408 2.492 -0.495
158 HZ3 TRP 86 3HZ TRP 86 11.626 -1.301 -2.273
159 HH2 TRP 86 HH TRP 86 12.564 0.049 -0.463
160 H ALA 87 H ALA 87 10.264 -0.232 -6.951
161 HA ALA 87 HA ALA 87 12.653 -0.930 -5.745
162 HB1 ALA 87 1HB ALA 87 10.970 -2.492 -7.680
163 HB2 ALA 87 2HB ALA 87 10.764 -2.439 -5.933
164 HB3 ALA 87 3HB ALA 87 12.212 -3.178 -6.628
165 H ARG 88 H ARG 88 11.819 -0.564 -9.165
166 HA ARG 88 HA ARG 88 14.379 -1.318 -10.159
167 HB2 ARG 88 2HB ARG 88 12.350 0.511 -11.431
168 HB3 ARG 88 1HB ARG 88 13.716 -0.230 -12.240
169 HG2 ARG 88 2HG ARG 88 12.685 -2.447 -11.719
170 HG3 ARG 88 1HG ARG 88 11.263 -1.568 -11.157
171 HD2 ARG 88 2HD ARG 88 12.466 -1.365 -13.917
172 HD3 ARG 88 1HD ARG 88 11.020 -2.275 -13.497
173 HE ARG 88 HE ARG 88 9.840 -0.268 -13.187
174 HH11 ARG 88 1HH1 ARG 88 13.227 0.494 -14.173
175 HH12 ARG 88 2HH1 ARG 88 12.785 1.988 -14.833
176 HH21 ARG 88 1HH2 ARG 88 9.341 1.820 -14.151
177 HH22 ARG 88 2HH2 ARG 88 10.587 2.760 -14.810
178 H ARG 89 H ARG 89 12.989 1.655 -9.005
179 HA ARG 89 HA ARG 89 14.829 3.507 -10.092
180 HB2 ARG 89 2HB ARG 89 12.537 3.984 -9.191
181 HB3 ARG 89 1HB ARG 89 13.152 3.665 -7.588
182 HG2 ARG 89 2HG ARG 89 14.602 5.601 -7.735
183 HG3 ARG 89 1HG ARG 89 14.055 5.886 -9.395
184 HD2 ARG 89 2HD ARG 89 12.342 5.937 -6.910
185 HD3 ARG 89 1HD ARG 89 12.828 7.334 -7.870
186 HE ARG 89 HE ARG 89 11.577 6.118 -9.736
187 HH11 ARG 89 1HH1 ARG 89 10.534 6.234 -6.316
188 HH12 ARG 89 2HH1 ARG 89 8.920 5.841 -6.700
189 HH21 ARG 89 1HH2 ARG 89 9.327 5.571 -10.179
190 HH22 ARG 89 2HH2 ARG 89 8.240 5.476 -8.859
191 H ASN 90 H ASN 90 14.639 1.620 -7.254
192 HA ASN 90 HA ASN 90 17.090 2.712 -6.130
193 HB2 ASN 90 2HB ASN 90 15.003 0.835 -5.173
194 HB3 ASN 90 1HB ASN 90 16.452 1.139 -4.235
195 HD21 ASN 90 1HD2 ASN 90 13.529 1.783 -4.072
196 HD22 ASN 90 2HD2 ASN 90 13.483 3.449 -3.636
197 H GLY 91 H GLY 91 15.987 -0.153 -7.735
198 HA2 GLY 91 2HA GLY 91 17.347 -1.654 -8.825
199 HA3 GLY 91 1HA GLY 91 18.741 -1.009 -7.964
200 H HIS 92 H HIS 92 15.666 -2.303 -6.823
201 HA HIS 92 HA HIS 92 17.137 -4.180 -5.108
202 HB2 HIS 92 2HB HIS 92 14.142 -3.582 -5.186
203 HB3 HIS 92 1HB HIS 92 14.932 -4.655 -4.048
204 HD1 HIS 92 1HD HIS 92 16.672 -3.320 -2.305
205 HD2 HIS 92 2HD HIS 92 13.841 -1.051 -4.326
206 HE1 HIS 92 1HE HIS 92 16.518 -1.101 -1.107
207 H ASN 93 H ASN 93 16.265 -6.494 -5.140
208 HA ASN 93 HA ASN 93 16.083 -7.219 -7.922
209 HB2 ASN 93 2HB ASN 93 16.336 -8.953 -5.463
210 HB3 ASN 93 1HB ASN 93 16.060 -9.619 -7.064
211 HD21 ASN 93 1HD2 ASN 93 18.352 -8.281 -4.892
212 HD22 ASN 93 2HD2 ASN 93 19.719 -8.454 -5.925
213 H VAL 94 H VAL 94 14.172 -6.494 -8.553
214 HA VAL 94 HA VAL 94 11.923 -8.209 -7.803
215 HB VAL 94 HB VAL 94 11.743 -5.216 -8.354
216 HG11 VAL 94 1HG1 VAL 94 9.814 -6.399 -9.285
217 HG12 VAL 94 2HG1 VAL 94 9.336 -5.451 -7.877
218 HG13 VAL 94 3HG1 VAL 94 9.543 -7.197 -7.735
219 HG21 VAL 94 1HG2 VAL 94 12.542 -5.682 -6.103
220 HG22 VAL 94 2HG2 VAL 94 11.180 -6.769 -5.834
221 HG23 VAL 94 3HG2 VAL 94 10.898 -5.044 -6.057
222 H SER 95 H SER 95 11.046 -9.146 -9.499
223 HA SER 95 HA SER 95 12.114 -8.645 -12.103
224 HB2 SER 95 2HB SER 95 9.977 -10.559 -11.153
225 HB3 SER 95 1HB SER 95 10.776 -10.602 -12.728
226 HG SER 95 HG SER 95 12.435 -10.532 -10.531
227 H THR 96 H THR 96 10.804 -8.118 -13.961
228 HA THR 96 HA THR 96 9.020 -6.036 -13.388
229 HB THR 96 HB THR 96 8.668 -6.201 -15.964
230 HG1 THR 96 1HG THR 96 9.860 -7.614 -16.980
231 HG21 THR 96 1HG2 THR 96 11.389 -5.612 -14.779
232 HG22 THR 96 2HG2 THR 96 10.037 -4.481 -14.849
233 HG23 THR 96 3HG2 THR 96 10.803 -5.037 -16.337
234 H ARG 97 H ARG 97 8.571 -9.405 -14.173
235 HA ARG 97 HA ARG 97 5.669 -9.021 -13.855
236 HB2 ARG 97 2HB ARG 97 7.091 -11.264 -15.312
237 HB3 ARG 97 1HB ARG 97 5.360 -11.088 -15.127
238 HG2 ARG 97 2HG ARG 97 5.448 -9.047 -16.512
239 HG3 ARG 97 1HG ARG 97 7.183 -9.315 -16.740
240 HD2 ARG 97 2HD ARG 97 6.669 -11.542 -17.697
241 HD3 ARG 97 1HD ARG 97 4.954 -11.178 -17.542
242 HE ARG 97 HE ARG 97 6.513 -9.290 -19.078
243 HH11 ARG 97 1HH1 ARG 97 4.413 -12.132 -19.176
244 HH12 ARG 97 2HH1 ARG 97 4.036 -11.958 -20.823
245 HH21 ARG 97 1HH2 ARG 97 6.017 -9.092 -21.369
246 HH22 ARG 97 2HH2 ARG 97 4.988 -10.230 -22.097
247 H GLY 98 H GLY 98 4.693 -10.415 -12.329
248 HA2 GLY 98 2HA GLY 98 5.102 -12.713 -11.338
249 HA3 GLY 98 1HA GLY 98 6.609 -12.005 -10.785
250 H ARG 99 H ARG 99 6.295 -12.107 -8.694
251 HA ARG 99 HA ARG 99 3.877 -10.981 -7.476
252 HB2 ARG 99 2HB ARG 99 5.987 -12.852 -6.386
253 HB3 ARG 99 1HB ARG 99 4.593 -12.271 -5.483
254 HG2 ARG 99 2HG ARG 99 3.106 -13.412 -6.997
255 HG3 ARG 99 1HG ARG 99 4.469 -13.934 -7.990
256 HD2 ARG 99 2HD ARG 99 3.746 -15.748 -6.558
257 HD3 ARG 99 1HD ARG 99 5.347 -15.202 -6.081
258 HE ARG 99 HE ARG 99 3.398 -13.866 -4.556
259 HH11 ARG 99 1HH1 ARG 99 4.858 -17.085 -4.883
260 HH12 ARG 99 2HH1 ARG 99 4.556 -17.520 -3.268
261 HH21 ARG 99 1HH2 ARG 99 2.953 -14.521 -2.357
262 HH22 ARG 99 2HH2 ARG 99 3.446 -16.062 -1.810
263 H ILE 100 H ILE 100 4.362 -9.847 -5.346
264 HA ILE 100 HA ILE 100 6.693 -8.097 -5.764
265 HB ILE 100 HB ILE 100 4.285 -7.563 -4.003
266 HG12 ILE 100 2HG1 ILE 100 3.591 -7.729 -6.389
267 HG13 ILE 100 1HG1 ILE 100 3.401 -6.103 -5.744
268 HG21 ILE 100 1HG2 ILE 100 5.070 -5.234 -4.081
269 HG22 ILE 100 2HG2 ILE 100 6.453 -5.747 -5.051
270 HG23 ILE 100 3HG2 ILE 100 6.272 -6.334 -3.397
271 HD11 ILE 100 1HD1 ILE 100 5.483 -5.462 -6.850
272 HD12 ILE 100 2HD1 ILE 100 4.243 -6.021 -7.966
273 HD13 ILE 100 3HD1 ILE 100 5.596 -7.084 -7.548
274 HA PRO 101 HA PRO 101 8.407 -10.053 -1.957
275 HB2 PRO 101 2HB PRO 101 10.224 -7.741 -2.171
276 HB3 PRO 101 1HB PRO 101 10.621 -9.468 -2.096
277 HG2 PRO 101 2HG PRO 101 10.956 -8.180 -4.346
278 HG3 PRO 101 1HG PRO 101 10.268 -9.816 -4.338
279 HD2 PRO 101 2HD PRO 101 8.843 -7.209 -4.665
280 HD3 PRO 101 1HD PRO 101 8.623 -8.744 -5.537
281 H ALA 102 H ALA 102 7.522 -9.800 -0.131
282 HA ALA 102 HA ALA 102 6.169 -7.510 0.786
283 HB1 ALA 102 1HB ALA 102 7.228 -9.831 2.405
284 HB2 ALA 102 2HB ALA 102 5.666 -9.785 1.588
285 HB3 ALA 102 3HB ALA 102 5.995 -8.682 2.922
286 H ASP 103 H ASP 103 9.412 -8.619 1.132
287 HA ASP 103 HA ASP 103 10.352 -6.846 3.134
288 HB2 ASP 103 2HB ASP 103 11.797 -8.006 0.737
289 HB3 ASP 103 1HB ASP 103 12.595 -7.089 2.004
290 H VAL 104 H VAL 104 10.122 -6.629 -0.348
291 HA VAL 104 HA VAL 104 11.231 -4.037 -0.530
292 HB VAL 104 HB VAL 104 9.598 -5.719 -2.444
293 HG11 VAL 104 1HG1 VAL 104 10.075 -4.057 -4.193
294 HG12 VAL 104 2HG1 VAL 104 10.724 -2.961 -2.964
295 HG13 VAL 104 3HG1 VAL 104 9.020 -3.446 -2.921
296 HG21 VAL 104 1HG2 VAL 104 11.900 -6.398 -2.026
297 HG22 VAL 104 2HG2 VAL 104 12.462 -4.783 -2.466
298 HG23 VAL 104 3HG2 VAL 104 11.696 -5.814 -3.677
299 H ILE 105 H ILE 105 7.984 -5.260 -0.206
300 HA ILE 105 HA ILE 105 6.600 -2.851 -0.590
301 HB ILE 105 HB ILE 105 5.797 -5.227 1.104
302 HG12 ILE 105 2HG1 ILE 105 5.223 -4.484 -1.760
303 HG13 ILE 105 1HG1 ILE 105 6.273 -5.766 -1.218
304 HG21 ILE 105 1HG2 ILE 105 4.112 -2.977 -0.011
305 HG22 ILE 105 2HG2 ILE 105 4.490 -3.235 1.693
306 HG23 ILE 105 3HG2 ILE 105 3.499 -4.406 0.822
307 HD11 ILE 105 1HD1 ILE 105 3.295 -5.640 -0.772
308 HD12 ILE 105 2HD1 ILE 105 4.355 -6.951 -0.247
309 HD13 ILE 105 3HD1 ILE 105 4.130 -6.624 -1.972
310 H ASP 106 H ASP 106 7.818 -4.320 2.439
311 HA ASP 106 HA ASP 106 6.748 -2.172 4.014
312 HB2 ASP 106 2HB ASP 106 7.219 -4.428 4.973
313 HB3 ASP 106 1HB ASP 106 8.943 -4.108 4.803
314 H ALA 107 H ALA 107 9.864 -2.844 2.555
315 HA ALA 107 HA ALA 107 11.233 -0.628 3.604
316 HB1 ALA 107 1HB ALA 107 12.768 -0.918 1.703
317 HB2 ALA 107 2HB ALA 107 11.588 -1.982 0.928
318 HB3 ALA 107 3HB ALA 107 12.356 -2.472 2.432
319 H TYR 108 H TYR 108 9.254 -1.022 0.716
320 HA TYR 108 HA TYR 108 9.474 1.517 -0.403
321 HB2 TYR 108 2HB TYR 108 8.477 -0.243 -1.665
322 HB3 TYR 108 1HB TYR 108 7.247 -0.527 -0.453
323 HD1 TYR 108 1HD TYR 108 8.339 1.700 -3.157
324 HD2 TYR 108 2HD TYR 108 5.220 0.810 -0.422
325 HE1 TYR 108 1HE TYR 108 6.840 3.166 -4.407
326 HE2 TYR 108 2HE TYR 108 3.696 2.282 -1.669
327 HH TYR 108 HH TYR 108 3.827 4.152 -3.171
328 H HIS 109 H HIS 109 7.153 0.272 1.924
329 HA HIS 109 HA HIS 109 5.793 2.743 2.103
330 HB2 HIS 109 2HB HIS 109 5.617 0.184 3.614
331 HB3 HIS 109 1HB HIS 109 4.763 1.586 4.220
332 HD1 HIS 109 1HD HIS 109 2.669 2.351 2.857
333 HD2 HIS 109 2HD HIS 109 4.672 -0.887 1.206
334 HE1 HIS 109 1HE HIS 109 1.137 1.416 1.093
335 H ALA 110 H ALA 110 8.493 1.439 3.838
336 HA ALA 110 HA ALA 110 8.304 3.424 5.910
337 HB1 ALA 110 1HB ALA 110 10.598 1.603 5.201
338 HB2 ALA 110 2HB ALA 110 9.306 1.222 6.337
339 HB3 ALA 110 3HB ALA 110 10.435 2.536 6.691
340 H ALA 111 H ALA 111 10.079 3.060 2.886
341 HA ALA 111 HA ALA 111 11.652 5.425 3.464
342 HB1 ALA 111 1HB ALA 111 12.744 3.479 2.481
343 HB2 ALA 111 2HB ALA 111 12.857 4.879 1.415
344 HB3 ALA 111 3HB ALA 111 11.689 3.605 1.078
345 H ASP 112 H ASP 112 10.690 7.268 3.185
346 HA ASP 112 HA ASP 112 10.164 8.460 0.784
347 HB2 ASP 112 2HB ASP 112 8.151 7.049 0.599
348 HB3 ASP 112 1HB ASP 112 7.590 7.621 2.167
Start of MODEL 11
1 H MET 65 1HT MET 65 -18.166 -3.271 -23.069
2 HA MET 65 HA MET 65 -17.778 -6.133 -23.546
3 HB2 MET 65 2HB MET 65 -15.888 -3.807 -24.035
4 HB3 MET 65 1HB MET 65 -15.408 -5.488 -24.066
5 HG2 MET 65 2HG MET 65 -15.652 -4.738 -26.309
6 HG3 MET 65 1HG MET 65 -16.976 -5.845 -25.960
7 HE1 MET 65 1HE MET 65 -18.567 -3.317 -28.484
8 HE2 MET 65 2HE MET 65 -18.244 -5.016 -28.133
9 HE3 MET 65 3HE MET 65 -16.909 -3.919 -28.485
10 H SER 66 H SER 66 -18.122 -6.714 -21.446
11 HA SER 66 HA SER 66 -16.646 -5.307 -19.362
12 HB2 SER 66 2HB SER 66 -18.861 -7.351 -19.142
13 HB3 SER 66 1HB SER 66 -18.222 -6.338 -17.845
14 HG SER 66 HG SER 66 -19.637 -5.525 -20.160
15 H GLY 67 H GLY 67 -15.416 -6.540 -17.868
16 HA2 GLY 67 2HA GLY 67 -14.395 -9.071 -18.921
17 HA3 GLY 67 1HA GLY 67 -13.684 -8.130 -17.599
18 H SER 68 H SER 68 -13.789 -9.367 -15.807
19 HA SER 68 HA SER 68 -16.207 -10.881 -15.322
20 HB2 SER 68 2HB SER 68 -13.711 -10.608 -13.606
21 HB3 SER 68 1HB SER 68 -15.007 -11.789 -13.389
22 HG SER 68 HG SER 68 -13.051 -11.591 -15.358
23 H GLY 69 H GLY 69 -17.686 -9.251 -15.099
24 HA2 GLY 69 2HA GLY 69 -18.882 -8.052 -13.381
25 HA3 GLY 69 1HA GLY 69 -17.329 -7.418 -12.829
26 H ARG 70 H ARG 70 -17.221 -5.310 -13.362
27 HA ARG 70 HA ARG 70 -18.422 -4.421 -15.869
28 HB2 ARG 70 2HB ARG 70 -17.853 -2.134 -15.136
29 HB3 ARG 70 1HB ARG 70 -18.755 -2.990 -13.894
30 HG2 ARG 70 2HG ARG 70 -16.659 -3.392 -12.677
31 HG3 ARG 70 1HG ARG 70 -15.778 -2.537 -13.933
32 HD2 ARG 70 2HD ARG 70 -16.927 -0.491 -13.443
33 HD3 ARG 70 1HD ARG 70 -17.979 -1.310 -12.278
34 HE ARG 70 HE ARG 70 -15.460 -1.805 -11.399
35 HH11 ARG 70 1HH1 ARG 70 -17.270 1.173 -12.023
36 HH12 ARG 70 2HH1 ARG 70 -16.462 2.076 -10.834
37 HH21 ARG 70 1HH2 ARG 70 -14.375 -0.593 -9.797
38 HH22 ARG 70 2HH2 ARG 70 -14.748 1.047 -9.529
39 H GLY 71 H GLY 71 -15.363 -5.131 -14.513
40 HA2 GLY 71 2HA GLY 71 -13.893 -5.572 -16.670
41 HA3 GLY 71 1HA GLY 71 -13.834 -3.813 -16.569
42 H ARG 72 H ARG 72 -12.044 -3.187 -15.601
43 HA ARG 72 HA ARG 72 -11.222 -4.676 -13.203
44 HB2 ARG 72 2HB ARG 72 -9.339 -3.579 -15.296
45 HB3 ARG 72 1HB ARG 72 -8.837 -4.291 -13.775
46 HG2 ARG 72 2HG ARG 72 -9.856 -6.420 -14.451
47 HG3 ARG 72 1HG ARG 72 -10.326 -5.696 -15.987
48 HD2 ARG 72 2HD ARG 72 -8.333 -6.996 -16.308
49 HD3 ARG 72 1HD ARG 72 -7.920 -5.297 -16.467
50 HE ARG 72 HE ARG 72 -7.281 -5.604 -13.975
51 HH11 ARG 72 1HH1 ARG 72 -6.757 -7.992 -16.530
52 HH12 ARG 72 2HH1 ARG 72 -5.360 -8.663 -15.825
53 HH21 ARG 72 1HH2 ARG 72 -5.405 -6.502 -13.001
54 HH22 ARG 72 2HH2 ARG 72 -4.544 -7.767 -13.752
55 H GLY 73 H GLY 73 -11.115 -1.594 -14.905
56 HA2 GLY 73 2HA GLY 73 -11.198 0.528 -14.088
57 HA3 GLY 73 1HA GLY 73 -11.532 -0.154 -12.500
58 H ALA 74 H ALA 74 -10.060 0.278 -11.017
59 HA ALA 74 HA ALA 74 -7.283 0.718 -11.835
60 HB1 ALA 74 1HB ALA 74 -7.201 2.560 -10.198
61 HB2 ALA 74 2HB ALA 74 -8.927 2.364 -9.905
62 HB3 ALA 74 3HB ALA 74 -8.356 2.891 -11.487
63 H ILE 75 H ILE 75 -6.014 0.897 -9.515
64 HA ILE 75 HA ILE 75 -7.003 -1.348 -7.950
65 HB ILE 75 HB ILE 75 -4.105 -0.473 -8.276
66 HG12 ILE 75 2HG1 ILE 75 -5.067 -1.417 -10.341
67 HG13 ILE 75 1HG1 ILE 75 -3.749 -2.394 -9.675
68 HG21 ILE 75 1HG2 ILE 75 -3.585 -2.611 -7.175
69 HG22 ILE 75 2HG2 ILE 75 -5.317 -2.920 -7.007
70 HG23 ILE 75 3HG2 ILE 75 -4.579 -1.556 -6.161
71 HD11 ILE 75 1HD1 ILE 75 -5.408 -3.951 -8.786
72 HD12 ILE 75 2HD1 ILE 75 -5.569 -3.776 -10.537
73 HD13 ILE 75 3HD1 ILE 75 -6.697 -2.954 -9.452
74 H ASP 76 H ASP 76 -6.948 -1.049 -5.776
75 HA ASP 76 HA ASP 76 -6.276 1.660 -4.782
76 HB2 ASP 76 2HB ASP 76 -8.732 1.370 -4.912
77 HB3 ASP 76 1HB ASP 76 -8.612 -0.070 -3.914
78 H ARG 77 H ARG 77 -5.440 1.797 -2.658
79 HA ARG 77 HA ARG 77 -4.365 1.275 -0.819
80 HB2 ARG 77 2HB ARG 77 -6.273 -0.319 -0.364
81 HB3 ARG 77 1HB ARG 77 -5.318 -1.590 -1.104
82 HG2 ARG 77 2HG ARG 77 -5.182 -1.739 1.312
83 HG3 ARG 77 1HG ARG 77 -3.608 -1.298 0.648
84 HD2 ARG 77 2HD ARG 77 -4.003 1.036 1.189
85 HD3 ARG 77 1HD ARG 77 -5.614 0.648 1.779
86 HE ARG 77 HE ARG 77 -4.062 -0.875 3.332
87 HH11 ARG 77 1HH1 ARG 77 -3.608 2.494 2.396
88 HH12 ARG 77 2HH1 ARG 77 -3.109 3.027 3.934
89 HH21 ARG 77 1HH2 ARG 77 -3.361 -0.136 5.509
90 HH22 ARG 77 2HH2 ARG 77 -2.954 1.507 5.714
91 H GLU 78 H GLU 78 -3.981 -1.362 -3.112
92 HA GLU 78 HA GLU 78 -1.126 -1.502 -2.528
93 HB2 GLU 78 2HB GLU 78 -2.376 -3.598 -2.647
94 HB3 GLU 78 1HB GLU 78 -2.951 -3.191 -4.252
95 HG2 GLU 78 2HG GLU 78 -0.651 -3.318 -5.098
96 HG3 GLU 78 1HG GLU 78 -0.096 -3.755 -3.483
97 H GLN 79 H GLN 79 0.024 0.033 -3.650
98 HA GLN 79 HA GLN 79 -0.742 0.414 -6.450
99 HB2 GLN 79 2HB GLN 79 0.896 2.255 -4.703
100 HB3 GLN 79 1HB GLN 79 0.578 2.497 -6.415
101 HG2 GLN 79 2HG GLN 79 -1.517 2.405 -4.257
102 HG3 GLN 79 1HG GLN 79 -0.866 3.870 -4.984
103 HE21 GLN 79 1HE2 GLN 79 -2.882 1.071 -5.494
104 HE22 GLN 79 2HE2 GLN 79 -3.698 1.674 -6.880
105 H SER 80 H SER 80 0.228 -1.492 -6.966
106 HA SER 80 HA SER 80 2.868 -2.221 -6.433
107 HB2 SER 80 2HB SER 80 1.073 -3.079 -8.699
108 HB3 SER 80 1HB SER 80 2.536 -3.916 -8.171
109 HG SER 80 HG SER 80 0.313 -4.557 -7.280
110 H ALA 81 H ALA 81 1.520 -0.243 -8.969
111 HA ALA 81 HA ALA 81 3.723 -0.278 -10.738
112 HB1 ALA 81 1HB ALA 81 2.759 1.766 -11.690
113 HB2 ALA 81 2HB ALA 81 1.690 1.920 -10.294
114 HB3 ALA 81 3HB ALA 81 1.507 0.557 -11.400
115 H ALA 82 H ALA 82 2.791 2.003 -8.222
116 HA ALA 82 HA ALA 82 5.036 3.675 -8.393
117 HB1 ALA 82 1HB ALA 82 3.235 3.143 -6.033
118 HB2 ALA 82 2HB ALA 82 2.946 4.330 -7.304
119 HB3 ALA 82 3HB ALA 82 4.319 4.523 -6.217
120 H ILE 83 H ILE 83 4.362 0.814 -6.440
121 HA ILE 83 HA ILE 83 6.716 0.866 -4.903
122 HB ILE 83 HB ILE 83 5.111 -1.584 -5.753
123 HG12 ILE 83 2HG1 ILE 83 4.982 0.068 -3.213
124 HG13 ILE 83 1HG1 ILE 83 3.797 0.105 -4.508
125 HG21 ILE 83 1HG2 ILE 83 6.144 -2.697 -3.811
126 HG22 ILE 83 2HG2 ILE 83 7.119 -1.258 -3.516
127 HG23 ILE 83 3HG2 ILE 83 7.355 -2.197 -4.989
128 HD11 ILE 83 1HD1 ILE 83 3.238 -2.237 -4.057
129 HD12 ILE 83 2HD1 ILE 83 3.012 -1.211 -2.639
130 HD13 ILE 83 3HD1 ILE 83 4.431 -2.254 -2.753
131 H ARG 84 H ARG 84 6.007 -0.658 -8.036
132 HA ARG 84 HA ARG 84 8.507 -1.852 -8.472
133 HB2 ARG 84 2HB ARG 84 6.459 -0.791 -10.405
134 HB3 ARG 84 1HB ARG 84 7.960 -1.516 -10.952
135 HG2 ARG 84 2HG ARG 84 7.361 -3.606 -9.880
136 HG3 ARG 84 1HG ARG 84 5.880 -2.875 -9.260
137 HD2 ARG 84 2HD ARG 84 5.052 -2.537 -11.496
138 HD3 ARG 84 1HD ARG 84 6.569 -3.100 -12.188
139 HE ARG 84 HE ARG 84 5.921 -5.255 -10.872
140 HH11 ARG 84 1HH1 ARG 84 3.699 -3.187 -12.705
141 HH12 ARG 84 2HH1 ARG 84 2.684 -4.483 -13.137
142 HH21 ARG 84 1HH2 ARG 84 4.490 -6.976 -11.444
143 HH22 ARG 84 2HH2 ARG 84 3.130 -6.649 -12.427
144 H GLU 85 H GLU 85 7.371 1.365 -9.298
145 HA GLU 85 HA GLU 85 9.684 2.140 -10.688
146 HB2 GLU 85 2HB GLU 85 7.694 3.897 -9.261
147 HB3 GLU 85 1HB GLU 85 8.867 4.441 -10.460
148 HG2 GLU 85 2HG GLU 85 6.568 2.549 -10.915
149 HG3 GLU 85 1HG GLU 85 6.673 4.226 -11.439
150 H TRP 86 H TRP 86 8.788 2.550 -7.305
151 HA TRP 86 HA TRP 86 11.125 3.939 -6.487
152 HB2 TRP 86 2HB TRP 86 9.162 3.917 -5.082
153 HB3 TRP 86 1HB TRP 86 9.199 2.163 -4.983
154 HD1 TRP 86 HD TRP 86 10.886 5.281 -3.543
155 HE1 TRP 86 1HE TRP 86 12.169 4.611 -1.414
156 HE3 TRP 86 3HE TRP 86 10.419 0.199 -3.850
157 HZ2 TRP 86 2HZ TRP 86 12.895 2.256 -0.060
158 HZ3 TRP 86 3HZ TRP 86 11.454 -1.184 -2.094
159 HH2 TRP 86 HH TRP 86 12.660 -0.169 -0.247
160 H ALA 87 H ALA 87 10.284 0.557 -6.655
161 HA ALA 87 HA ALA 87 12.576 -0.495 -5.443
162 HB1 ALA 87 1HB ALA 87 11.899 -2.589 -6.515
163 HB2 ALA 87 2HB ALA 87 10.747 -1.670 -7.506
164 HB3 ALA 87 3HB ALA 87 10.535 -1.755 -5.764
165 H ARG 88 H ARG 88 11.788 0.102 -8.811
166 HA ARG 88 HA ARG 88 14.286 -0.776 -9.825
167 HB2 ARG 88 2HB ARG 88 12.176 1.023 -11.005
168 HB3 ARG 88 1HB ARG 88 13.545 0.390 -11.909
169 HG2 ARG 88 2HG ARG 88 12.758 -1.870 -11.585
170 HG3 ARG 88 1HG ARG 88 11.462 -1.291 -10.548
171 HD2 ARG 88 2HD ARG 88 10.659 -1.781 -12.792
172 HD3 ARG 88 1HD ARG 88 10.486 -0.073 -12.394
173 HE ARG 88 HE ARG 88 12.832 -0.944 -13.882
174 HH11 ARG 88 1HH1 ARG 88 9.730 0.856 -13.821
175 HH12 ARG 88 2HH1 ARG 88 9.973 1.570 -15.326
176 HH21 ARG 88 1HH2 ARG 88 13.105 0.047 -15.994
177 HH22 ARG 88 2HH2 ARG 88 11.891 1.079 -16.622
178 H ARG 89 H ARG 89 13.082 2.326 -8.703
179 HA ARG 89 HA ARG 89 15.145 4.066 -9.439
180 HB2 ARG 89 2HB ARG 89 13.119 4.840 -8.320
181 HB3 ARG 89 1HB ARG 89 13.515 3.900 -6.895
182 HG2 ARG 89 2HG ARG 89 15.547 5.376 -6.632
183 HG3 ARG 89 1HG ARG 89 14.854 6.401 -7.892
184 HD2 ARG 89 2HD ARG 89 12.846 6.714 -6.578
185 HD3 ARG 89 1HD ARG 89 13.452 5.630 -5.334
186 HE ARG 89 HE ARG 89 14.809 8.148 -6.017
187 HH11 ARG 89 1HH1 ARG 89 13.470 5.965 -3.548
188 HH12 ARG 89 2HH1 ARG 89 13.906 6.966 -2.246
189 HH21 ARG 89 1HH2 ARG 89 15.384 9.500 -4.194
190 HH22 ARG 89 2HH2 ARG 89 15.013 8.980 -2.608
191 H ASN 90 H ASN 90 14.809 1.985 -6.625
192 HA ASN 90 HA ASN 90 17.435 2.453 -5.602
193 HB2 ASN 90 2HB ASN 90 15.342 0.391 -5.030
194 HB3 ASN 90 1HB ASN 90 16.931 0.234 -4.317
195 HD21 ASN 90 1HD2 ASN 90 13.921 1.964 -4.299
196 HD22 ASN 90 2HD2 ASN 90 14.270 2.846 -2.859
197 H GLY 91 H GLY 91 15.981 -0.130 -7.462
198 HA2 GLY 91 2HA GLY 91 17.357 -0.985 -9.315
199 HA3 GLY 91 1HA GLY 91 18.694 -1.017 -8.167
200 H HIS 92 H HIS 92 15.464 -1.975 -7.263
201 HA HIS 92 HA HIS 92 16.457 -4.673 -6.737
202 HB2 HIS 92 2HB HIS 92 13.648 -3.629 -6.258
203 HB3 HIS 92 1HB HIS 92 14.393 -5.030 -5.525
204 HD1 HIS 92 1HD HIS 92 16.875 -3.821 -4.149
205 HD2 HIS 92 2HD HIS 92 13.161 -1.961 -4.281
206 HE1 HIS 92 1HE HIS 92 16.861 -2.069 -2.319
207 H ASN 93 H ASN 93 15.767 -6.428 -7.973
208 HA ASN 93 HA ASN 93 14.296 -5.686 -10.344
209 HB2 ASN 93 2HB ASN 93 15.873 -8.151 -9.665
210 HB3 ASN 93 1HB ASN 93 14.721 -8.174 -10.994
211 HD21 ASN 93 1HD2 ASN 93 17.695 -6.796 -9.832
212 HD22 ASN 93 2HD2 ASN 93 18.244 -6.197 -11.356
213 H VAL 94 H VAL 94 12.300 -5.591 -10.225
214 HA VAL 94 HA VAL 94 10.869 -7.431 -8.460
215 HB VAL 94 HB VAL 94 10.247 -4.558 -9.197
216 HG11 VAL 94 1HG1 VAL 94 8.314 -4.737 -7.698
217 HG12 VAL 94 2HG1 VAL 94 8.620 -6.466 -7.523
218 HG13 VAL 94 3HG1 VAL 94 8.155 -5.810 -9.089
219 HG21 VAL 94 1HG2 VAL 94 10.483 -4.199 -6.787
220 HG22 VAL 94 2HG2 VAL 94 11.960 -4.817 -7.524
221 HG23 VAL 94 3HG2 VAL 94 10.924 -5.895 -6.590
222 H SER 95 H SER 95 9.174 -8.502 -9.143
223 HA SER 95 HA SER 95 7.613 -9.442 -10.379
224 HB2 SER 95 2HB SER 95 7.908 -7.079 -12.253
225 HB3 SER 95 1HB SER 95 6.606 -8.271 -12.319
226 HG SER 95 HG SER 95 6.361 -7.622 -9.957
227 H THR 96 H THR 96 10.631 -9.545 -10.911
228 HA THR 96 HA THR 96 10.624 -10.952 -13.408
229 HB THR 96 HB THR 96 13.063 -11.279 -12.754
230 HG1 THR 96 1HG THR 96 12.836 -11.109 -10.514
231 HG21 THR 96 1HG2 THR 96 13.666 -8.911 -13.078
232 HG22 THR 96 2HG2 THR 96 12.002 -8.460 -12.676
233 HG23 THR 96 3HG2 THR 96 12.329 -9.368 -14.143
234 H ARG 97 H ARG 97 9.263 -12.652 -13.018
235 HA ARG 97 HA ARG 97 8.351 -14.522 -12.195
236 HB2 ARG 97 2HB ARG 97 11.176 -15.090 -11.238
237 HB3 ARG 97 1HB ARG 97 9.857 -16.197 -10.925
238 HG2 ARG 97 2HG ARG 97 11.051 -17.015 -12.809
239 HG3 ARG 97 1HG ARG 97 9.520 -16.374 -13.398
240 HD2 ARG 97 2HD ARG 97 11.327 -15.751 -14.870
241 HD3 ARG 97 1HD ARG 97 10.678 -14.316 -14.076
242 HE ARG 97 HE ARG 97 12.801 -15.275 -12.554
243 HH11 ARG 97 1HH1 ARG 97 12.329 -13.902 -15.754
244 HH12 ARG 97 2HH1 ARG 97 13.845 -13.155 -15.833
245 HH21 ARG 97 1HH2 ARG 97 14.869 -14.286 -12.612
246 HH22 ARG 97 2HH2 ARG 97 15.352 -13.364 -13.955
247 H GLY 98 H GLY 98 6.975 -13.340 -10.972
248 HA2 GLY 98 2HA GLY 98 6.386 -14.058 -8.500
249 HA3 GLY 98 1HA GLY 98 7.610 -12.823 -8.201
250 H ARG 99 H ARG 99 5.626 -11.866 -7.127
251 HA ARG 99 HA ARG 99 4.001 -10.406 -9.081
252 HB2 ARG 99 2HB ARG 99 2.931 -11.842 -7.191
253 HB3 ARG 99 1HB ARG 99 3.493 -10.635 -6.077
254 HG2 ARG 99 2HG ARG 99 1.432 -10.282 -8.271
255 HG3 ARG 99 1HG ARG 99 1.129 -10.334 -6.540
256 HD2 ARG 99 2HD ARG 99 2.560 -8.257 -6.375
257 HD3 ARG 99 1HD ARG 99 2.528 -8.205 -8.130
258 HE ARG 99 HE ARG 99 0.221 -7.887 -6.351
259 HH11 ARG 99 1HH1 ARG 99 1.596 -7.556 -9.598
260 HH12 ARG 99 2HH1 ARG 99 0.480 -6.382 -10.107
261 HH21 ARG 99 1HH2 ARG 99 -1.271 -6.180 -7.005
262 HH22 ARG 99 2HH2 ARG 99 -1.216 -5.598 -8.601
263 H ILE 100 H ILE 100 4.800 -9.588 -5.881
264 HA ILE 100 HA ILE 100 6.753 -7.538 -6.590
265 HB ILE 100 HB ILE 100 4.306 -6.869 -4.882
266 HG12 ILE 100 2HG1 ILE 100 3.737 -6.790 -7.314
267 HG13 ILE 100 1HG1 ILE 100 3.619 -5.222 -6.532
268 HG21 ILE 100 1HG2 ILE 100 6.644 -5.146 -5.637
269 HG22 ILE 100 2HG2 ILE 100 6.300 -5.846 -4.055
270 HG23 ILE 100 3HG2 ILE 100 5.224 -4.614 -4.724
271 HD11 ILE 100 1HD1 ILE 100 5.772 -4.609 -7.492
272 HD12 ILE 100 2HD1 ILE 100 4.590 -5.054 -8.734
273 HD13 ILE 100 3HD1 ILE 100 5.860 -6.190 -8.269
274 HA PRO 101 HA PRO 101 8.292 -9.767 -2.908
275 HB2 PRO 101 2HB PRO 101 10.111 -7.431 -2.871
276 HB3 PRO 101 1HB PRO 101 10.516 -9.159 -2.828
277 HG2 PRO 101 2HG PRO 101 10.955 -7.792 -5.015
278 HG3 PRO 101 1HG PRO 101 10.286 -9.435 -5.100
279 HD2 PRO 101 2HD PRO 101 8.891 -6.826 -5.460
280 HD3 PRO 101 1HD PRO 101 8.667 -8.368 -6.322
281 H ALA 102 H ALA 102 7.300 -9.672 -1.128
282 HA ALA 102 HA ALA 102 5.932 -7.459 -0.073
283 HB1 ALA 102 1HB ALA 102 5.363 -9.767 0.532
284 HB2 ALA 102 2HB ALA 102 5.659 -8.788 1.970
285 HB3 ALA 102 3HB ALA 102 6.888 -9.914 1.404
286 H ASP 103 H ASP 103 9.116 -8.716 0.482
287 HA ASP 103 HA ASP 103 9.962 -7.065 2.576
288 HB2 ASP 103 2HB ASP 103 11.346 -8.910 1.795
289 HB3 ASP 103 1HB ASP 103 11.536 -8.136 0.223
290 H VAL 104 H VAL 104 9.914 -6.542 -0.908
291 HA VAL 104 HA VAL 104 11.115 -3.974 -0.842
292 HB VAL 104 HB VAL 104 9.495 -5.443 -2.935
293 HG11 VAL 104 1HG1 VAL 104 8.922 -3.113 -3.204
294 HG12 VAL 104 2HG1 VAL 104 9.978 -3.635 -4.519
295 HG13 VAL 104 3HG1 VAL 104 10.628 -2.649 -3.202
296 HG21 VAL 104 1HG2 VAL 104 12.353 -4.493 -2.842
297 HG22 VAL 104 2HG2 VAL 104 11.613 -5.411 -4.150
298 HG23 VAL 104 3HG2 VAL 104 11.808 -6.142 -2.552
299 H ILE 105 H ILE 105 7.806 -5.101 -0.773
300 HA ILE 105 HA ILE 105 6.487 -2.624 -0.949
301 HB ILE 105 HB ILE 105 5.592 -5.117 0.531
302 HG12 ILE 105 2HG1 ILE 105 5.065 -4.193 -2.296
303 HG13 ILE 105 1HG1 ILE 105 6.141 -5.486 -1.838
304 HG21 ILE 105 1HG2 ILE 105 4.297 -3.158 1.209
305 HG22 ILE 105 2HG2 ILE 105 3.311 -4.235 0.218
306 HG23 ILE 105 3HG2 ILE 105 3.979 -2.765 -0.482
307 HD11 ILE 105 1HD1 ILE 105 4.035 -6.370 -2.651
308 HD12 ILE 105 2HD1 ILE 105 3.155 -5.442 -1.440
309 HD13 ILE 105 3HD1 ILE 105 4.217 -6.751 -0.940
310 H ASP 106 H ASP 106 7.547 -4.465 1.879
311 HA ASP 106 HA ASP 106 6.563 -2.631 3.836
312 HB2 ASP 106 2HB ASP 106 7.174 -5.013 4.305
313 HB3 ASP 106 1HB ASP 106 8.863 -4.591 4.076
314 H ALA 107 H ALA 107 9.661 -3.021 2.230
315 HA ALA 107 HA ALA 107 11.019 -0.980 3.616
316 HB1 ALA 107 1HB ALA 107 12.149 -2.713 2.316
317 HB2 ALA 107 2HB ALA 107 12.630 -1.098 1.776
318 HB3 ALA 107 3HB ALA 107 11.460 -2.045 0.839
319 H TYR 108 H TYR 108 9.153 -0.990 0.627
320 HA TYR 108 HA TYR 108 9.491 1.645 -0.198
321 HB2 TYR 108 2HB TYR 108 8.478 0.051 -1.652
322 HB3 TYR 108 1HB TYR 108 7.191 -0.289 -0.507
323 HD1 TYR 108 1HD TYR 108 5.173 0.989 -0.546
324 HD2 TYR 108 2HD TYR 108 8.519 2.240 -2.833
325 HE1 TYR 108 1HE TYR 108 3.753 2.628 -1.711
326 HE2 TYR 108 2HE TYR 108 7.118 3.879 -4.002
327 HH TYR 108 HH TYR 108 3.960 4.669 -2.953
328 H HIS 109 H HIS 109 7.182 0.230 2.006
329 HA HIS 109 HA HIS 109 5.824 2.687 2.479
330 HB2 HIS 109 2HB HIS 109 5.666 -0.045 3.633
331 HB3 HIS 109 1HB HIS 109 4.817 1.233 4.463
332 HD1 HIS 109 1HD HIS 109 2.706 2.253 3.145
333 HD2 HIS 109 2HD HIS 109 4.663 -0.862 1.214
334 HE1 HIS 109 1HE HIS 109 1.215 1.547 1.270
335 H ALA 110 H ALA 110 8.406 0.973 4.103
336 HA ALA 110 HA ALA 110 8.334 2.614 6.433
337 HB1 ALA 110 1HB ALA 110 10.570 0.878 5.411
338 HB2 ALA 110 2HB ALA 110 9.244 0.336 6.438
339 HB3 ALA 110 3HB ALA 110 10.401 1.520 7.047
340 H ALA 111 H ALA 111 10.144 2.702 3.410
341 HA ALA 111 HA ALA 111 11.876 4.784 4.318
342 HB1 ALA 111 1HB ALA 111 12.729 4.819 2.045
343 HB2 ALA 111 2HB ALA 111 11.398 3.792 1.510
344 HB3 ALA 111 3HB ALA 111 12.604 3.158 2.630
345 H ASP 112 H ASP 112 11.202 6.753 4.630
346 HA ASP 112 HA ASP 112 9.025 7.837 3.098
347 HB2 ASP 112 2HB ASP 112 9.280 9.903 4.439
348 HB3 ASP 112 1HB ASP 112 9.174 8.491 5.471
Start of MODEL 12
1 H MET 65 1HT MET 65 18.909 -19.633 -13.583
2 HA MET 65 HA MET 65 17.456 -19.140 -15.477
3 HB2 MET 65 2HB MET 65 16.067 -20.650 -13.233
4 HB3 MET 65 1HB MET 65 15.573 -20.688 -14.917
5 HG2 MET 65 2HG MET 65 17.656 -21.725 -15.552
6 HG3 MET 65 1HG MET 65 18.247 -21.622 -13.895
7 HE1 MET 65 1HE MET 65 18.855 -24.217 -14.038
8 HE2 MET 65 2HE MET 65 18.235 -24.267 -15.687
9 HE3 MET 65 3HE MET 65 17.691 -25.458 -14.507
10 H SER 66 H SER 66 15.544 -18.267 -16.272
11 HA SER 66 HA SER 66 14.334 -16.300 -14.479
12 HB2 SER 66 2HB SER 66 14.762 -16.137 -17.464
13 HB3 SER 66 1HB SER 66 14.114 -14.860 -16.431
14 HG SER 66 HG SER 66 16.502 -15.950 -15.653
15 H GLY 67 H GLY 67 12.111 -16.199 -14.436
16 HA2 GLY 67 2HA GLY 67 10.429 -17.262 -16.423
17 HA3 GLY 67 1HA GLY 67 10.555 -18.360 -15.045
18 H SER 68 H SER 68 8.105 -17.412 -15.344
19 HA SER 68 HA SER 68 7.979 -15.121 -13.574
20 HB2 SER 68 2HB SER 68 5.605 -14.973 -14.380
21 HB3 SER 68 1HB SER 68 6.810 -14.755 -15.647
22 HG SER 68 HG SER 68 4.868 -16.305 -15.810
23 H GLY 69 H GLY 69 6.053 -17.985 -14.180
24 HA2 GLY 69 2HA GLY 69 5.884 -19.716 -12.462
25 HA3 GLY 69 1HA GLY 69 5.968 -18.421 -11.268
26 H ARG 70 H ARG 70 3.946 -20.509 -12.591
27 HA ARG 70 HA ARG 70 1.786 -18.688 -13.058
28 HB2 ARG 70 2HB ARG 70 1.961 -20.536 -14.586
29 HB3 ARG 70 1HB ARG 70 1.895 -21.693 -13.268
30 HG2 ARG 70 2HG ARG 70 -0.385 -21.288 -12.884
31 HG3 ARG 70 1HG ARG 70 -0.363 -19.811 -13.854
32 HD2 ARG 70 2HD ARG 70 0.168 -22.561 -14.945
33 HD3 ARG 70 1HD ARG 70 -1.407 -21.766 -14.988
34 HE ARG 70 HE ARG 70 -0.183 -19.935 -16.208
35 HH11 ARG 70 1HH1 ARG 70 0.868 -23.297 -16.457
36 HH12 ARG 70 2HH1 ARG 70 1.393 -23.200 -18.063
37 HH21 ARG 70 1HH2 ARG 70 0.581 -19.729 -18.376
38 HH22 ARG 70 2HH2 ARG 70 1.269 -21.028 -19.224
39 H GLY 71 H GLY 71 1.458 -17.757 -11.250
40 HA2 GLY 71 2HA GLY 71 -0.382 -18.937 -9.447
41 HA3 GLY 71 1HA GLY 71 1.191 -18.594 -8.705
42 H ARG 72 H ARG 72 -1.026 -17.188 -7.877
43 HA ARG 72 HA ARG 72 -0.563 -14.637 -9.209
44 HB2 ARG 72 2HB ARG 72 -3.026 -15.520 -7.701
45 HB3 ARG 72 1HB ARG 72 -2.784 -13.914 -8.355
46 HG2 ARG 72 2HG ARG 72 -2.909 -16.439 -10.015
47 HG3 ARG 72 1HG ARG 72 -4.273 -15.368 -9.726
48 HD2 ARG 72 2HD ARG 72 -3.417 -14.826 -11.888
49 HD3 ARG 72 1HD ARG 72 -2.916 -13.533 -10.813
50 HE ARG 72 HE ARG 72 -0.785 -15.229 -10.825
51 HH11 ARG 72 1HH1 ARG 72 -2.547 -13.610 -13.449
52 HH12 ARG 72 2HH1 ARG 72 -1.195 -13.574 -14.485
53 HH21 ARG 72 1HH2 ARG 72 1.027 -15.125 -12.222
54 HH22 ARG 72 2HH2 ARG 72 0.879 -14.454 -13.784
55 H GLY 73 H GLY 73 0.889 -13.589 -8.094
56 HA2 GLY 73 2HA GLY 73 0.570 -13.448 -5.161
57 HA3 GLY 73 1HA GLY 73 2.143 -13.718 -5.892
58 H ALA 74 H ALA 74 0.211 -11.666 -7.745
59 HA ALA 74 HA ALA 74 1.713 -9.403 -6.717
60 HB1 ALA 74 1HB ALA 74 0.258 -9.720 -9.354
61 HB2 ALA 74 2HB ALA 74 1.998 -9.873 -9.129
62 HB3 ALA 74 3HB ALA 74 1.208 -8.319 -8.863
63 H ILE 75 H ILE 75 0.529 -8.781 -5.045
64 HA ILE 75 HA ILE 75 -2.271 -8.744 -5.142
65 HB ILE 75 HB ILE 75 -0.376 -7.415 -3.227
66 HG12 ILE 75 2HG1 ILE 75 -0.336 -9.840 -3.150
67 HG13 ILE 75 1HG1 ILE 75 -1.057 -9.176 -1.677
68 HG21 ILE 75 1HG2 ILE 75 -2.297 -7.069 -1.712
69 HG22 ILE 75 2HG2 ILE 75 -3.379 -7.641 -2.980
70 HG23 ILE 75 3HG2 ILE 75 -2.460 -6.155 -3.215
71 HD11 ILE 75 1HD1 ILE 75 -2.524 -10.440 -3.991
72 HD12 ILE 75 2HD1 ILE 75 -3.289 -9.704 -2.583
73 HD13 ILE 75 3HD1 ILE 75 -2.284 -11.134 -2.385
74 H ASP 76 H ASP 76 -3.396 -7.452 -6.045
75 HA ASP 76 HA ASP 76 -2.354 -4.988 -7.176
76 HB2 ASP 76 2HB ASP 76 -3.714 -6.366 -8.662
77 HB3 ASP 76 1HB ASP 76 -5.080 -6.230 -7.552
78 H ARG 77 H ARG 77 -2.444 -3.235 -6.159
79 HA ARG 77 HA ARG 77 -4.755 -2.492 -4.539
80 HB2 ARG 77 2HB ARG 77 -2.798 -3.516 -3.118
81 HB3 ARG 77 1HB ARG 77 -1.921 -2.081 -3.653
82 HG2 ARG 77 2HG ARG 77 -3.443 -0.634 -2.534
83 HG3 ARG 77 1HG ARG 77 -4.445 -2.005 -2.050
84 HD2 ARG 77 2HD ARG 77 -2.961 -1.213 -0.249
85 HD3 ARG 77 1HD ARG 77 -2.670 -2.891 -0.698
86 HE ARG 77 HE ARG 77 -0.750 -2.084 -1.988
87 HH11 ARG 77 1HH1 ARG 77 -1.996 0.091 0.520
88 HH12 ARG 77 2HH1 ARG 77 -0.515 0.775 0.911
89 HH21 ARG 77 1HH2 ARG 77 1.299 -1.153 -1.491
90 HH22 ARG 77 2HH2 ARG 77 1.475 -0.029 -0.216
91 H GLU 78 H GLU 78 -4.291 -0.009 -4.030
92 HA GLU 78 HA GLU 78 -3.840 1.303 -6.458
93 HB2 GLU 78 2HB GLU 78 -5.161 2.164 -4.544
94 HB3 GLU 78 1HB GLU 78 -3.641 2.435 -3.704
95 HG2 GLU 78 2HG GLU 78 -4.537 4.502 -4.739
96 HG3 GLU 78 1HG GLU 78 -2.939 4.052 -5.347
97 H GLN 79 H GLN 79 -1.754 1.273 -3.513
98 HA GLN 79 HA GLN 79 0.406 2.089 -5.244
99 HB2 GLN 79 2HB GLN 79 0.473 1.513 -2.271
100 HB3 GLN 79 1HB GLN 79 1.814 2.137 -3.213
101 HG2 GLN 79 2HG GLN 79 0.320 4.106 -3.781
102 HG3 GLN 79 1HG GLN 79 -0.764 3.510 -2.525
103 HE21 GLN 79 1HE2 GLN 79 -0.052 3.572 -0.334
104 HE22 GLN 79 2HE2 GLN 79 1.285 4.567 0.104
105 H SER 80 H SER 80 0.718 0.427 -6.576
106 HA SER 80 HA SER 80 2.099 -1.838 -5.399
107 HB2 SER 80 2HB SER 80 0.884 -3.371 -7.006
108 HB3 SER 80 1HB SER 80 -0.112 -2.731 -5.698
109 HG SER 80 HG SER 80 -1.180 -1.454 -7.098
110 H ALA 81 H ALA 81 1.073 -0.489 -8.539
111 HA ALA 81 HA ALA 81 3.331 -1.324 -9.970
112 HB1 ALA 81 1HB ALA 81 1.585 1.080 -10.535
113 HB2 ALA 81 2HB ALA 81 1.247 -0.572 -11.046
114 HB3 ALA 81 3HB ALA 81 2.653 0.277 -11.687
115 H ALA 82 H ALA 82 2.672 1.583 -8.166
116 HA ALA 82 HA ALA 82 4.960 3.066 -8.720
117 HB1 ALA 82 1HB ALA 82 4.499 4.227 -6.623
118 HB2 ALA 82 2HB ALA 82 3.379 2.946 -6.154
119 HB3 ALA 82 3HB ALA 82 3.022 3.968 -7.546
120 H ILE 83 H ILE 83 4.385 0.463 -6.423
121 HA ILE 83 HA ILE 83 6.831 0.709 -5.005
122 HB ILE 83 HB ILE 83 5.117 -1.780 -5.355
123 HG12 ILE 83 2HG1 ILE 83 5.060 0.352 -3.205
124 HG13 ILE 83 1HG1 ILE 83 3.809 0.057 -4.406
125 HG21 ILE 83 1HG2 ILE 83 7.362 -2.305 -4.548
126 HG22 ILE 83 2HG2 ILE 83 6.172 -2.555 -3.272
127 HG23 ILE 83 3HG2 ILE 83 7.190 -1.115 -3.257
128 HD11 ILE 83 1HD1 ILE 83 4.631 -1.823 -2.200
129 HD12 ILE 83 2HD1 ILE 83 3.370 -2.129 -3.394
130 HD13 ILE 83 3HD1 ILE 83 3.181 -0.818 -2.228
131 H ARG 84 H ARG 84 5.780 -1.068 -7.811
132 HA ARG 84 HA ARG 84 8.092 -2.636 -8.260
133 HB2 ARG 84 2HB ARG 84 6.204 -1.496 -10.345
134 HB3 ARG 84 1HB ARG 84 7.303 -2.840 -10.581
135 HG2 ARG 84 2HG ARG 84 6.035 -4.211 -9.064
136 HG3 ARG 84 1HG ARG 84 5.005 -2.844 -8.635
137 HD2 ARG 84 2HD ARG 84 3.806 -4.223 -10.204
138 HD3 ARG 84 1HD ARG 84 4.266 -2.728 -11.012
139 HE ARG 84 HE ARG 84 5.804 -5.202 -11.338
140 HH11 ARG 84 1HH1 ARG 84 4.066 -2.478 -12.806
141 HH12 ARG 84 2HH1 ARG 84 4.424 -2.949 -14.389
142 HH21 ARG 84 1HH2 ARG 84 6.271 -5.802 -13.503
143 HH22 ARG 84 2HH2 ARG 84 5.694 -4.884 -14.815
144 H GLU 85 H GLU 85 7.142 0.564 -9.383
145 HA GLU 85 HA GLU 85 9.476 1.009 -10.937
146 HB2 GLU 85 2HB GLU 85 7.580 3.043 -9.773
147 HB3 GLU 85 1HB GLU 85 8.764 3.355 -11.041
148 HG2 GLU 85 2HG GLU 85 7.606 1.591 -12.386
149 HG3 GLU 85 1HG GLU 85 6.341 1.612 -11.160
150 H TRP 86 H TRP 86 8.549 1.981 -7.681
151 HA TRP 86 HA TRP 86 10.819 3.440 -6.972
152 HB2 TRP 86 2HB TRP 86 8.784 3.415 -5.629
153 HB3 TRP 86 1HB TRP 86 8.975 1.698 -5.319
154 HD1 TRP 86 HD TRP 86 10.283 5.113 -4.205
155 HE1 TRP 86 1HE TRP 86 11.554 4.832 -2.010
156 HE3 TRP 86 3HE TRP 86 10.326 0.022 -3.991
157 HZ2 TRP 86 2HZ TRP 86 12.482 2.663 -0.367
158 HZ3 TRP 86 3HZ TRP 86 11.425 -1.080 -2.099
159 HH2 TRP 86 HH TRP 86 12.480 0.221 -0.317
160 H ALA 87 H ALA 87 10.139 -0.011 -6.811
161 HA ALA 87 HA ALA 87 12.486 -0.864 -5.566
162 HB1 ALA 87 1HB ALA 87 10.532 -2.266 -5.822
163 HB2 ALA 87 2HB ALA 87 11.916 -3.052 -6.598
164 HB3 ALA 87 3HB ALA 87 10.699 -2.216 -7.568
165 H ARG 88 H ARG 88 11.660 -0.610 -9.022
166 HA ARG 88 HA ARG 88 14.183 -1.438 -10.008
167 HB2 ARG 88 2HB ARG 88 12.268 0.472 -11.323
168 HB3 ARG 88 1HB ARG 88 13.565 -0.391 -12.122
169 HG2 ARG 88 2HG ARG 88 12.393 -2.509 -11.612
170 HG3 ARG 88 1HG ARG 88 11.062 -1.562 -10.933
171 HD2 ARG 88 2HD ARG 88 12.035 -1.643 -13.781
172 HD3 ARG 88 1HD ARG 88 10.432 -2.035 -13.157
173 HE ARG 88 HE ARG 88 11.504 0.687 -12.988
174 HH11 ARG 88 1HH1 ARG 88 8.916 -1.489 -14.102
175 HH12 ARG 88 2HH1 ARG 88 7.983 -0.233 -14.758
176 HH21 ARG 88 1HH2 ARG 88 10.156 2.397 -13.872
177 HH22 ARG 88 2HH2 ARG 88 8.679 1.981 -14.613
178 H ARG 89 H ARG 89 12.892 1.710 -9.162
179 HA ARG 89 HA ARG 89 14.907 3.440 -9.989
180 HB2 ARG 89 2HB ARG 89 12.716 4.113 -9.050
181 HB3 ARG 89 1HB ARG 89 13.229 3.549 -7.472
182 HG2 ARG 89 2HG ARG 89 15.045 5.270 -7.548
183 HG3 ARG 89 1HG ARG 89 14.299 5.898 -9.019
184 HD2 ARG 89 2HD ARG 89 13.000 5.686 -6.297
185 HD3 ARG 89 1HD ARG 89 13.550 7.163 -7.079
186 HE ARG 89 HE ARG 89 11.765 6.031 -8.826
187 HH11 ARG 89 1HH1 ARG 89 11.613 7.359 -5.519
188 HH12 ARG 89 2HH1 ARG 89 9.943 7.701 -5.599
189 HH21 ARG 89 1HH2 ARG 89 9.445 6.563 -8.910
190 HH22 ARG 89 2HH2 ARG 89 8.714 7.240 -7.542
191 H ASN 90 H ASN 90 14.547 1.649 -6.970
192 HA ASN 90 HA ASN 90 17.062 2.533 -5.898
193 HB2 ASN 90 2HB ASN 90 14.997 0.585 -4.964
194 HB3 ASN 90 1HB ASN 90 16.547 0.651 -4.154
195 HD21 ASN 90 1HD2 ASN 90 13.563 2.245 -4.764
196 HD22 ASN 90 2HD2 ASN 90 13.780 3.508 -3.603
197 H GLY 91 H GLY 91 16.061 -0.050 -7.866
198 HA2 GLY 91 2HA GLY 91 17.669 -1.185 -9.203
199 HA3 GLY 91 1HA GLY 91 18.852 -0.951 -7.922
200 H HIS 92 H HIS 92 15.626 -2.017 -7.236
201 HA HIS 92 HA HIS 92 16.696 -4.537 -6.248
202 HB2 HIS 92 2HB HIS 92 13.835 -3.540 -6.202
203 HB3 HIS 92 1HB HIS 92 14.471 -4.906 -5.309
204 HD1 HIS 92 1HD HIS 92 17.032 -2.795 -4.366
205 HD2 HIS 92 2HD HIS 92 12.917 -2.555 -3.773
206 HE1 HIS 92 1HE HIS 92 16.672 -1.262 -2.406
207 H ASN 93 H ASN 93 16.098 -6.509 -7.189
208 HA ASN 93 HA ASN 93 15.034 -6.247 -9.870
209 HB2 ASN 93 2HB ASN 93 16.257 -8.618 -8.459
210 HB3 ASN 93 1HB ASN 93 15.583 -8.698 -10.080
211 HD21 ASN 93 1HD2 ASN 93 18.250 -9.208 -9.170
212 HD22 ASN 93 2HD2 ASN 93 19.306 -8.142 -10.029
213 H VAL 94 H VAL 94 13.031 -5.642 -9.232
214 HA VAL 94 HA VAL 94 11.322 -7.767 -8.152
215 HB VAL 94 HB VAL 94 10.947 -4.744 -8.169
216 HG11 VAL 94 1HG1 VAL 94 8.892 -5.116 -6.865
217 HG12 VAL 94 2HG1 VAL 94 9.068 -6.858 -7.097
218 HG13 VAL 94 3HG1 VAL 94 8.770 -5.813 -8.479
219 HG21 VAL 94 1HG2 VAL 94 11.045 -4.964 -5.735
220 HG22 VAL 94 2HG2 VAL 94 12.524 -5.539 -6.508
221 HG23 VAL 94 3HG2 VAL 94 11.334 -6.696 -5.910
222 H SER 95 H SER 95 9.418 -8.253 -9.222
223 HA SER 95 HA SER 95 7.968 -8.540 -10.855
224 HB2 SER 95 2HB SER 95 7.712 -6.082 -11.020
225 HB3 SER 95 1HB SER 95 9.080 -6.015 -12.131
226 HG SER 95 HG SER 95 7.809 -7.552 -13.401
227 H THR 96 H THR 96 10.777 -9.433 -10.842
228 HA THR 96 HA THR 96 11.492 -9.907 -13.535
229 HB THR 96 HB THR 96 13.033 -11.571 -12.348
230 HG1 THR 96 1HG THR 96 13.009 -11.498 -10.129
231 HG21 THR 96 1HG2 THR 96 13.718 -9.277 -12.940
232 HG22 THR 96 2HG2 THR 96 14.401 -9.763 -11.382
233 HG23 THR 96 3HG2 THR 96 12.986 -8.700 -11.444
234 H ARG 97 H ARG 97 10.002 -11.716 -10.916
235 HA ARG 97 HA ARG 97 9.134 -13.755 -12.794
236 HB2 ARG 97 2HB ARG 97 9.036 -13.640 -9.779
237 HB3 ARG 97 1HB ARG 97 8.259 -14.911 -10.705
238 HG2 ARG 97 2HG ARG 97 10.460 -15.503 -11.672
239 HG3 ARG 97 1HG ARG 97 11.204 -14.296 -10.619
240 HD2 ARG 97 2HD ARG 97 11.353 -16.578 -9.703
241 HD3 ARG 97 1HD ARG 97 10.443 -15.491 -8.654
242 HE ARG 97 HE ARG 97 8.622 -16.747 -10.321
243 HH11 ARG 97 1HH1 ARG 97 10.974 -17.818 -7.891
244 HH12 ARG 97 2HH1 ARG 97 9.980 -19.033 -7.241
245 HH21 ARG 97 1HH2 ARG 97 7.243 -18.472 -9.414
246 HH22 ARG 97 2HH2 ARG 97 7.845 -19.409 -8.140
247 H GLY 98 H GLY 98 8.129 -10.913 -11.634
248 HA2 GLY 98 2HA GLY 98 6.118 -9.805 -12.181
249 HA3 GLY 98 1HA GLY 98 5.399 -11.369 -12.534
250 H ARG 99 H ARG 99 7.078 -10.636 -9.545
251 HA ARG 99 HA ARG 99 4.510 -10.426 -8.197
252 HB2 ARG 99 2HB ARG 99 5.322 -12.803 -8.065
253 HB3 ARG 99 1HB ARG 99 6.773 -12.227 -7.262
254 HG2 ARG 99 2HG ARG 99 5.468 -11.442 -5.383
255 HG3 ARG 99 1HG ARG 99 3.972 -11.876 -6.207
256 HD2 ARG 99 2HD ARG 99 4.739 -14.237 -6.213
257 HD3 ARG 99 1HD ARG 99 6.130 -13.744 -5.248
258 HE ARG 99 HE ARG 99 3.806 -12.840 -3.973
259 HH11 ARG 99 1HH1 ARG 99 5.382 -15.922 -4.681
260 HH12 ARG 99 2HH1 ARG 99 4.721 -16.722 -3.321
261 HH21 ARG 99 1HH2 ARG 99 2.855 -13.948 -2.178
262 HH22 ARG 99 2HH2 ARG 99 3.214 -15.587 -1.885
263 H ILE 100 H ILE 100 4.717 -9.349 -6.096
264 HA ILE 100 HA ILE 100 7.076 -7.623 -6.071
265 HB ILE 100 HB ILE 100 4.347 -7.088 -4.856
266 HG12 ILE 100 2HG1 ILE 100 5.615 -5.868 -7.328
267 HG13 ILE 100 1HG1 ILE 100 4.323 -7.062 -7.351
268 HG21 ILE 100 1HG2 ILE 100 6.193 -6.028 -3.667
269 HG22 ILE 100 2HG2 ILE 100 5.215 -4.814 -4.498
270 HG23 ILE 100 3HG2 ILE 100 6.773 -5.309 -5.169
271 HD11 ILE 100 1HD1 ILE 100 4.157 -4.284 -6.197
272 HD12 ILE 100 2HD1 ILE 100 2.850 -5.469 -6.210
273 HD13 ILE 100 3HD1 ILE 100 3.465 -4.820 -7.729
274 HA PRO 101 HA PRO 101 8.116 -9.902 -2.253
275 HB2 PRO 101 2HB PRO 101 10.075 -7.691 -2.208
276 HB3 PRO 101 1HB PRO 101 10.351 -9.439 -2.066
277 HG2 PRO 101 2HG PRO 101 11.034 -8.198 -4.269
278 HG3 PRO 101 1HG PRO 101 10.265 -9.800 -4.332
279 HD2 PRO 101 2HD PRO 101 9.070 -7.126 -4.877
280 HD3 PRO 101 1HD PRO 101 8.827 -8.678 -5.711
281 H ALA 102 H ALA 102 7.187 -9.658 -0.491
282 HA ALA 102 HA ALA 102 5.835 -7.340 0.369
283 HB1 ALA 102 1HB ALA 102 5.448 -8.571 2.439
284 HB2 ALA 102 2HB ALA 102 6.675 -9.749 1.977
285 HB3 ALA 102 3HB ALA 102 5.186 -9.617 1.040
286 H ASP 103 H ASP 103 8.996 -8.657 0.945
287 HA ASP 103 HA ASP 103 9.875 -7.036 3.091
288 HB2 ASP 103 2HB ASP 103 11.650 -7.724 0.739
289 HB3 ASP 103 1HB ASP 103 12.135 -7.473 2.406
290 H VAL 104 H VAL 104 9.780 -6.589 -0.380
291 HA VAL 104 HA VAL 104 11.030 -4.032 -0.403
292 HB VAL 104 HB VAL 104 9.420 -5.543 -2.478
293 HG11 VAL 104 1HG1 VAL 104 10.019 -3.793 -4.110
294 HG12 VAL 104 2HG1 VAL 104 10.648 -2.793 -2.789
295 HG13 VAL 104 3HG1 VAL 104 8.932 -3.214 -2.850
296 HG21 VAL 104 1HG2 VAL 104 11.560 -5.645 -3.634
297 HG22 VAL 104 2HG2 VAL 104 11.706 -6.301 -2.000
298 HG23 VAL 104 3HG2 VAL 104 12.301 -4.682 -2.361
299 H ILE 105 H ILE 105 7.697 -5.112 -0.372
300 HA ILE 105 HA ILE 105 6.474 -2.594 -0.623
301 HB ILE 105 HB ILE 105 5.454 -5.036 0.862
302 HG12 ILE 105 2HG1 ILE 105 4.977 -4.071 -1.961
303 HG13 ILE 105 1HG1 ILE 105 6.023 -5.396 -1.512
304 HG21 ILE 105 1HG2 ILE 105 3.206 -4.067 0.553
305 HG22 ILE 105 2HG2 ILE 105 3.926 -2.616 -0.143
306 HG23 ILE 105 3HG2 ILE 105 4.223 -3.023 1.543
307 HD11 ILE 105 1HD1 ILE 105 3.029 -5.297 -1.110
308 HD12 ILE 105 2HD1 ILE 105 4.078 -6.646 -0.661
309 HD13 ILE 105 3HD1 ILE 105 3.884 -6.206 -2.355
310 H ASP 106 H ASP 106 7.558 -4.346 2.271
311 HA ASP 106 HA ASP 106 6.644 -2.348 4.091
312 HB2 ASP 106 2HB ASP 106 7.054 -4.567 4.943
313 HB3 ASP 106 1HB ASP 106 8.723 -4.524 4.387
314 H ALA 107 H ALA 107 9.690 -2.916 2.453
315 HA ALA 107 HA ALA 107 11.151 -0.829 3.638
316 HB1 ALA 107 1HB ALA 107 11.372 -1.958 0.849
317 HB2 ALA 107 2HB ALA 107 12.164 -2.604 2.282
318 HB3 ALA 107 3HB ALA 107 12.617 -1.006 1.669
319 H TYR 108 H TYR 108 9.075 -0.911 0.796
320 HA TYR 108 HA TYR 108 9.347 1.728 -0.088
321 HB2 TYR 108 2HB TYR 108 8.319 0.054 -1.469
322 HB3 TYR 108 1HB TYR 108 7.059 -0.242 -0.287
323 HD1 TYR 108 1HD TYR 108 8.303 2.095 -2.848
324 HD2 TYR 108 2HD TYR 108 5.093 1.162 -0.222
325 HE1 TYR 108 1HE TYR 108 6.874 3.661 -4.059
326 HE2 TYR 108 2HE TYR 108 3.645 2.740 -1.425
327 HH TYR 108 HH TYR 108 3.769 4.606 -2.861
328 H HIS 109 H HIS 109 7.186 0.304 2.291
329 HA HIS 109 HA HIS 109 5.866 2.798 2.739
330 HB2 HIS 109 2HB HIS 109 5.614 0.086 3.954
331 HB3 HIS 109 1HB HIS 109 4.836 1.447 4.743
332 HD1 HIS 109 1HD HIS 109 2.692 2.362 3.602
333 HD2 HIS 109 2HD HIS 109 4.617 -0.586 1.404
334 HE1 HIS 109 1HE HIS 109 1.137 1.746 1.724
335 H ALA 110 H ALA 110 8.564 1.209 4.158
336 HA ALA 110 HA ALA 110 8.586 2.892 6.488
337 HB1 ALA 110 1HB ALA 110 10.706 1.837 7.009
338 HB2 ALA 110 2HB ALA 110 10.766 1.122 5.396
339 HB3 ALA 110 3HB ALA 110 9.511 0.627 6.534
340 H ALA 111 H ALA 111 10.115 2.914 3.343
341 HA ALA 111 HA ALA 111 11.774 5.193 4.055
342 HB1 ALA 111 1HB ALA 111 12.698 3.408 2.675
343 HB2 ALA 111 2HB ALA 111 12.711 4.963 1.838
344 HB3 ALA 111 3HB ALA 111 11.496 3.750 1.431
345 H ASP 112 H ASP 112 11.546 7.226 3.249
346 HA ASP 112 HA ASP 112 9.592 7.818 1.248
347 HB2 ASP 112 2HB ASP 112 8.158 7.972 3.216
348 HB3 ASP 112 1HB ASP 112 9.360 8.956 4.047
Start of MODEL 13
1 H MET 65 1HT MET 65 -0.381 -14.702 -11.082
2 HA MET 65 HA MET 65 2.197 -15.643 -12.163
3 HB2 MET 65 2HB MET 65 0.285 -16.564 -13.434
4 HB3 MET 65 1HB MET 65 -0.431 -14.969 -13.551
5 HG2 MET 65 2HG MET 65 0.605 -15.656 -15.653
6 HG3 MET 65 1HG MET 65 1.376 -14.229 -14.974
7 HE1 MET 65 1HE MET 65 2.711 -15.929 -17.282
8 HE2 MET 65 2HE MET 65 4.378 -16.016 -16.714
9 HE3 MET 65 3HE MET 65 3.469 -14.514 -16.552
10 H SER 66 H SER 66 3.159 -13.940 -13.602
11 HA SER 66 HA SER 66 3.428 -11.519 -12.294
12 HB2 SER 66 2HB SER 66 3.966 -12.112 -15.184
13 HB3 SER 66 1HB SER 66 4.789 -10.935 -14.154
14 HG SER 66 HG SER 66 5.294 -12.805 -12.804
15 H GLY 67 H GLY 67 1.617 -10.374 -11.987
16 HA2 GLY 67 2HA GLY 67 0.603 -8.786 -14.128
17 HA3 GLY 67 1HA GLY 67 -0.581 -9.942 -13.512
18 H SER 68 H SER 68 1.787 -7.630 -12.361
19 HA SER 68 HA SER 68 -0.145 -6.783 -10.353
20 HB2 SER 68 2HB SER 68 2.798 -7.270 -9.863
21 HB3 SER 68 1HB SER 68 1.627 -6.678 -8.681
22 HG SER 68 HG SER 68 0.554 -8.822 -9.614
23 H GLY 69 H GLY 69 -0.580 -4.765 -10.814
24 HA2 GLY 69 2HA GLY 69 0.120 -2.492 -10.626
25 HA3 GLY 69 1HA GLY 69 1.646 -2.950 -11.371
26 H ARG 70 H ARG 70 -1.697 -3.616 -12.297
27 HA ARG 70 HA ARG 70 -1.084 -2.557 -14.941
28 HB2 ARG 70 2HB ARG 70 -2.195 -4.781 -14.711
29 HB3 ARG 70 1HB ARG 70 -3.565 -3.967 -13.966
30 HG2 ARG 70 2HG ARG 70 -4.269 -4.219 -16.160
31 HG3 ARG 70 1HG ARG 70 -3.632 -2.577 -16.151
32 HD2 ARG 70 2HD ARG 70 -2.266 -5.068 -17.175
33 HD3 ARG 70 1HD ARG 70 -2.895 -3.738 -18.136
34 HE ARG 70 HE ARG 70 -1.105 -2.403 -16.817
35 HH11 ARG 70 1HH1 ARG 70 -0.777 -5.646 -18.212
36 HH12 ARG 70 2HH1 ARG 70 0.918 -5.626 -18.213
37 HH21 ARG 70 1HH2 ARG 70 1.229 -2.376 -16.808
38 HH22 ARG 70 2HH2 ARG 70 2.086 -3.720 -17.377
39 H GLY 71 H GLY 71 -1.326 -0.365 -14.888
40 HA2 GLY 71 2HA GLY 71 -3.633 0.847 -15.207
41 HA3 GLY 71 1HA GLY 71 -3.586 0.708 -13.459
42 H ARG 72 H ARG 72 -3.758 3.041 -14.566
43 HA ARG 72 HA ARG 72 -1.153 4.325 -14.761
44 HB2 ARG 72 2HB ARG 72 -3.972 5.418 -14.893
45 HB3 ARG 72 1HB ARG 72 -2.508 6.319 -15.268
46 HG2 ARG 72 2HG ARG 72 -2.059 4.935 -17.165
47 HG3 ARG 72 1HG ARG 72 -3.377 3.848 -16.737
48 HD2 ARG 72 2HD ARG 72 -4.996 5.577 -17.154
49 HD3 ARG 72 1HD ARG 72 -3.716 6.754 -17.456
50 HE ARG 72 HE ARG 72 -3.073 5.097 -19.281
51 HH11 ARG 72 1HH1 ARG 72 -6.442 5.693 -18.323
52 HH12 ARG 72 2HH1 ARG 72 -7.059 5.526 -19.893
53 HH21 ARG 72 1HH2 ARG 72 -3.962 4.883 -21.471
54 HH22 ARG 72 2HH2 ARG 72 -5.633 5.051 -21.708
55 H GLY 73 H GLY 73 -4.040 4.205 -12.774
56 HA2 GLY 73 2HA GLY 73 -2.510 5.187 -10.516
57 HA3 GLY 73 1HA GLY 73 -4.066 5.929 -10.909
58 H ALA 74 H ALA 74 -3.446 4.498 -8.504
59 HA ALA 74 HA ALA 74 -5.583 2.580 -8.625
60 HB1 ALA 74 1HB ALA 74 -4.213 0.872 -7.454
61 HB2 ALA 74 2HB ALA 74 -2.775 1.865 -7.724
62 HB3 ALA 74 3HB ALA 74 -3.638 1.173 -9.092
63 H ILE 75 H ILE 75 -5.713 1.760 -6.204
64 HA ILE 75 HA ILE 75 -6.178 4.143 -4.782
65 HB ILE 75 HB ILE 75 -6.235 1.320 -3.659
66 HG12 ILE 75 2HG1 ILE 75 -8.786 1.665 -3.852
67 HG13 ILE 75 1HG1 ILE 75 -8.411 2.947 -4.983
68 HG21 ILE 75 1HG2 ILE 75 -7.632 2.259 -1.915
69 HG22 ILE 75 2HG2 ILE 75 -7.559 3.831 -2.711
70 HG23 ILE 75 3HG2 ILE 75 -6.097 3.134 -2.022
71 HD11 ILE 75 1HD1 ILE 75 -7.658 0.046 -5.342
72 HD12 ILE 75 2HD1 ILE 75 -7.382 1.349 -6.506
73 HD13 ILE 75 3HD1 ILE 75 -9.021 0.857 -6.104
74 H ASP 76 H ASP 76 -4.895 5.180 -3.516
75 HA ASP 76 HA ASP 76 -2.207 4.160 -3.426
76 HB2 ASP 76 2HB ASP 76 -2.358 6.374 -4.323
77 HB3 ASP 76 1HB ASP 76 -3.108 6.970 -2.847
78 H ARG 77 H ARG 77 -2.365 2.721 -2.061
79 HA ARG 77 HA ARG 77 -1.557 3.549 0.636
80 HB2 ARG 77 2HB ARG 77 -3.244 1.084 -0.031
81 HB3 ARG 77 1HB ARG 77 -2.363 1.270 1.465
82 HG2 ARG 77 2HG ARG 77 -4.659 1.627 1.850
83 HG3 ARG 77 1HG ARG 77 -3.844 3.188 2.010
84 HD2 ARG 77 2HD ARG 77 -4.562 3.793 -0.226
85 HD3 ARG 77 1HD ARG 77 -5.298 2.208 -0.424
86 HE ARG 77 HE ARG 77 -6.906 2.798 1.223
87 HH11 ARG 77 1HH1 ARG 77 -4.953 5.539 0.071
88 HH12 ARG 77 2HH1 ARG 77 -6.179 6.690 0.322
89 HH21 ARG 77 1HH2 ARG 77 -8.563 4.350 1.539
90 HH22 ARG 77 2HH2 ARG 77 -8.310 6.003 1.222
91 H GLU 78 H GLU 78 -2.032 0.864 -1.520
92 HA GLU 78 HA GLU 78 0.827 0.335 -1.623
93 HB2 GLU 78 2HB GLU 78 -0.376 -1.254 -0.193
94 HB3 GLU 78 1HB GLU 78 -1.503 -1.570 -1.487
95 HG2 GLU 78 2HG GLU 78 0.376 -2.484 -2.843
96 HG3 GLU 78 1HG GLU 78 1.432 -2.276 -1.444
97 H GLN 79 H GLN 79 0.952 1.421 -3.623
98 HA GLN 79 HA GLN 79 -0.727 0.353 -5.759
99 HB2 GLN 79 2HB GLN 79 1.217 2.655 -5.715
100 HB3 GLN 79 1HB GLN 79 0.422 2.095 -7.175
101 HG2 GLN 79 2HG GLN 79 -1.764 2.634 -6.123
102 HG3 GLN 79 1HG GLN 79 -0.883 3.270 -4.738
103 HE21 GLN 79 1HE2 GLN 79 0.133 5.234 -4.884
104 HE22 GLN 79 2HE2 GLN 79 -0.044 6.297 -6.214
105 H SER 80 H SER 80 0.039 -1.577 -6.335
106 HA SER 80 HA SER 80 2.576 -2.546 -5.993
107 HB2 SER 80 2HB SER 80 1.903 -4.226 -7.772
108 HB3 SER 80 1HB SER 80 0.795 -4.057 -6.408
109 HG SER 80 HG SER 80 -0.649 -3.622 -7.817
110 H ALA 81 H ALA 81 1.268 -0.966 -8.831
111 HA ALA 81 HA ALA 81 3.430 -1.218 -10.580
112 HB1 ALA 81 1HB ALA 81 2.507 0.702 -11.773
113 HB2 ALA 81 2HB ALA 81 1.497 1.096 -10.382
114 HB3 ALA 81 3HB ALA 81 1.223 -0.400 -11.274
115 H ALA 82 H ALA 82 2.657 1.488 -8.414
116 HA ALA 82 HA ALA 82 4.938 3.018 -8.970
117 HB1 ALA 82 1HB ALA 82 3.271 3.020 -6.459
118 HB2 ALA 82 2HB ALA 82 2.908 3.936 -7.922
119 HB3 ALA 82 3HB ALA 82 4.358 4.302 -6.983
120 H ILE 83 H ILE 83 4.310 0.530 -6.587
121 HA ILE 83 HA ILE 83 6.683 0.846 -5.116
122 HB ILE 83 HB ILE 83 4.969 -1.642 -5.479
123 HG12 ILE 83 2HG1 ILE 83 5.075 0.383 -3.232
124 HG13 ILE 83 1HG1 ILE 83 3.849 0.343 -4.486
125 HG21 ILE 83 1HG2 ILE 83 6.044 -2.480 -3.426
126 HG22 ILE 83 2HG2 ILE 83 7.113 -1.076 -3.415
127 HG23 ILE 83 3HG2 ILE 83 7.222 -2.255 -4.721
128 HD11 ILE 83 1HD1 ILE 83 3.112 -1.845 -3.689
129 HD12 ILE 83 2HD1 ILE 83 3.031 -0.611 -2.432
130 HD13 ILE 83 3HD1 ILE 83 4.349 -1.790 -2.425
131 H ARG 84 H ARG 84 5.948 -1.066 -8.009
132 HA ARG 84 HA ARG 84 8.447 -2.429 -8.230
133 HB2 ARG 84 2HB ARG 84 6.858 -1.346 -10.525
134 HB3 ARG 84 1HB ARG 84 8.029 -2.642 -10.589
135 HG2 ARG 84 2HG ARG 84 6.498 -4.068 -9.353
136 HG3 ARG 84 1HG ARG 84 5.332 -2.737 -9.262
137 HD2 ARG 84 2HD ARG 84 6.290 -4.219 -11.701
138 HD3 ARG 84 1HD ARG 84 4.633 -4.034 -11.117
139 HE ARG 84 HE ARG 84 6.187 -1.708 -12.001
140 HH11 ARG 84 1HH1 ARG 84 3.321 -3.740 -12.522
141 HH12 ARG 84 2HH1 ARG 84 2.596 -2.578 -13.537
142 HH21 ARG 84 1HH2 ARG 84 5.221 -0.236 -13.296
143 HH22 ARG 84 2HH2 ARG 84 3.694 -0.518 -14.011
144 H GLU 85 H GLU 85 7.215 0.594 -9.504
145 HA GLU 85 HA GLU 85 9.463 1.319 -11.026
146 HB2 GLU 85 2HB GLU 85 7.504 3.239 -9.747
147 HB3 GLU 85 1HB GLU 85 8.526 3.553 -11.137
148 HG2 GLU 85 2HG GLU 85 6.143 1.713 -10.991
149 HG3 GLU 85 1HG GLU 85 6.280 3.221 -11.885
150 H TRP 86 H TRP 86 8.490 2.224 -7.741
151 HA TRP 86 HA TRP 86 10.657 3.808 -7.015
152 HB2 TRP 86 2HB TRP 86 8.674 3.686 -5.630
153 HB3 TRP 86 1HB TRP 86 8.885 1.957 -5.399
154 HD1 TRP 86 HD TRP 86 10.295 5.314 -4.216
155 HE1 TRP 86 1HE TRP 86 11.613 4.932 -2.052
156 HE3 TRP 86 3HE TRP 86 10.110 0.232 -4.080
157 HZ2 TRP 86 2HZ TRP 86 12.480 2.720 -0.484
158 HZ3 TRP 86 3HZ TRP 86 11.212 -0.948 -2.210
159 HH2 TRP 86 HH TRP 86 12.364 0.281 -0.459
160 H ALA 87 H ALA 87 10.179 0.335 -6.744
161 HA ALA 87 HA ALA 87 12.586 -0.327 -5.491
162 HB1 ALA 87 1HB ALA 87 10.711 -1.834 -5.597
163 HB2 ALA 87 2HB ALA 87 12.100 -2.611 -6.384
164 HB3 ALA 87 3HB ALA 87 10.814 -1.872 -7.344
165 H ARG 88 H ARG 88 11.754 -0.140 -8.911
166 HA ARG 88 HA ARG 88 14.318 -0.961 -9.847
167 HB2 ARG 88 2HB ARG 88 12.189 0.663 -11.252
168 HB3 ARG 88 1HB ARG 88 13.581 -0.078 -12.034
169 HG2 ARG 88 2HG ARG 88 12.789 -2.283 -11.433
170 HG3 ARG 88 1HG ARG 88 11.438 -1.575 -10.552
171 HD2 ARG 88 2HD ARG 88 10.673 -2.347 -12.679
172 HD3 ARG 88 1HD ARG 88 10.637 -0.582 -12.659
173 HE ARG 88 HE ARG 88 12.962 -0.954 -13.787
174 HH11 ARG 88 1HH1 ARG 88 9.903 -2.600 -14.413
175 HH12 ARG 88 2HH1 ARG 88 10.288 -3.058 -16.005
176 HH21 ARG 88 1HH2 ARG 88 13.490 -1.549 -16.013
177 HH22 ARG 88 2HH2 ARG 88 12.375 -2.459 -16.917
178 H ARG 89 H ARG 89 12.878 2.125 -9.103
179 HA ARG 89 HA ARG 89 14.859 3.864 -10.017
180 HB2 ARG 89 2HB ARG 89 12.631 4.584 -9.279
181 HB3 ARG 89 1HB ARG 89 13.012 4.115 -7.635
182 HG2 ARG 89 2HG ARG 89 14.701 5.878 -7.521
183 HG3 ARG 89 1HG ARG 89 14.317 6.348 -9.183
184 HD2 ARG 89 2HD ARG 89 12.020 6.835 -8.521
185 HD3 ARG 89 1HD ARG 89 12.379 6.335 -6.873
186 HE ARG 89 HE ARG 89 14.155 8.367 -7.622
187 HH11 ARG 89 1HH1 ARG 89 10.724 7.953 -6.887
188 HH12 ARG 89 2HH1 ARG 89 10.502 9.514 -6.276
189 HH21 ARG 89 1HH2 ARG 89 13.859 10.537 -6.789
190 HH22 ARG 89 2HH2 ARG 89 12.342 11.028 -6.200
191 H ASN 90 H ASN 90 14.544 2.097 -7.018
192 HA ASN 90 HA ASN 90 17.026 3.140 -5.942
193 HB2 ASN 90 2HB ASN 90 15.138 1.011 -4.997
194 HB3 ASN 90 1HB ASN 90 16.657 1.284 -4.176
195 HD21 ASN 90 1HD2 ASN 90 13.490 2.415 -4.788
196 HD22 ASN 90 2HD2 ASN 90 13.488 3.697 -3.650
197 H GLY 91 H GLY 91 15.953 0.187 -7.458
198 HA2 GLY 91 2HA GLY 91 17.500 -0.998 -8.887
199 HA3 GLY 91 1HA GLY 91 18.781 -0.575 -7.752
200 H HIS 92 H HIS 92 15.541 -1.832 -7.143
201 HA HIS 92 HA HIS 92 16.768 -4.027 -5.631
202 HB2 HIS 92 2HB HIS 92 13.873 -3.136 -5.642
203 HB3 HIS 92 1HB HIS 92 14.582 -4.346 -4.592
204 HD1 HIS 92 1HD HIS 92 17.088 -2.514 -3.693
205 HD2 HIS 92 2HD HIS 92 13.081 -1.421 -3.729
206 HE1 HIS 92 1HE HIS 92 16.839 -0.613 -2.056
207 H ASN 93 H ASN 93 15.637 -6.107 -5.822
208 HA ASN 93 HA ASN 93 15.066 -6.646 -8.619
209 HB2 ASN 93 2HB ASN 93 15.582 -8.527 -6.297
210 HB3 ASN 93 1HB ASN 93 15.277 -9.035 -7.954
211 HD21 ASN 93 1HD2 ASN 93 17.598 -9.392 -6.197
212 HD22 ASN 93 2HD2 ASN 93 18.941 -8.769 -7.082
213 H VAL 94 H VAL 94 13.033 -6.257 -9.063
214 HA VAL 94 HA VAL 94 10.908 -6.793 -7.162
215 HB VAL 94 HB VAL 94 10.666 -5.988 -10.075
216 HG11 VAL 94 1HG1 VAL 94 8.723 -5.721 -7.799
217 HG12 VAL 94 2HG1 VAL 94 8.613 -6.852 -9.148
218 HG13 VAL 94 3HG1 VAL 94 8.473 -5.118 -9.437
219 HG21 VAL 94 1HG2 VAL 94 10.811 -4.188 -7.663
220 HG22 VAL 94 2HG2 VAL 94 10.435 -3.669 -9.307
221 HG23 VAL 94 3HG2 VAL 94 12.027 -4.328 -8.930
222 H SER 95 H SER 95 12.098 -7.840 -10.254
223 HA SER 95 HA SER 95 11.894 -9.622 -11.521
224 HB2 SER 95 2HB SER 95 12.597 -10.916 -9.507
225 HB3 SER 95 1HB SER 95 10.904 -11.073 -9.044
226 HG SER 95 HG SER 95 11.162 -12.866 -10.141
227 H THR 96 H THR 96 10.403 -8.938 -12.956
228 HA THR 96 HA THR 96 7.635 -9.029 -12.297
229 HB THR 96 HB THR 96 7.439 -8.351 -14.755
230 HG1 THR 96 1HG THR 96 9.180 -8.530 -15.844
231 HG21 THR 96 1HG2 THR 96 7.331 -6.746 -12.894
232 HG22 THR 96 2HG2 THR 96 8.188 -6.057 -14.269
233 HG23 THR 96 3HG2 THR 96 9.093 -6.650 -12.875
234 H ARG 97 H ARG 97 9.318 -11.453 -12.370
235 HA ARG 97 HA ARG 97 7.690 -13.072 -14.176
236 HB2 ARG 97 2HB ARG 97 10.453 -13.512 -13.050
237 HB3 ARG 97 1HB ARG 97 9.514 -14.856 -13.674
238 HG2 ARG 97 2HG ARG 97 11.008 -14.170 -15.401
239 HG3 ARG 97 1HG ARG 97 9.395 -13.633 -15.858
240 HD2 ARG 97 2HD ARG 97 9.991 -11.377 -14.928
241 HD3 ARG 97 1HD ARG 97 11.639 -11.964 -14.733
242 HE ARG 97 HE ARG 97 10.619 -12.310 -17.379
243 HH11 ARG 97 1HH1 ARG 97 12.228 -10.011 -15.212
244 HH12 ARG 97 2HH1 ARG 97 12.892 -9.069 -16.459
245 HH21 ARG 97 1HH2 ARG 97 11.501 -10.914 -19.139
246 HH22 ARG 97 2HH2 ARG 97 12.459 -9.585 -18.704
247 H GLY 98 H GLY 98 7.342 -11.851 -11.470
248 HA2 GLY 98 2HA GLY 98 5.923 -14.077 -10.318
249 HA3 GLY 98 1HA GLY 98 7.183 -13.353 -9.311
250 H ARG 99 H ARG 99 5.893 -12.360 -7.817
251 HA ARG 99 HA ARG 99 4.173 -10.220 -8.846
252 HB2 ARG 99 2HB ARG 99 4.030 -11.779 -6.263
253 HB3 ARG 99 1HB ARG 99 3.159 -10.280 -6.512
254 HG2 ARG 99 2HG ARG 99 2.013 -11.318 -8.436
255 HG3 ARG 99 1HG ARG 99 2.794 -12.846 -8.016
256 HD2 ARG 99 2HD ARG 99 0.512 -12.672 -7.087
257 HD3 ARG 99 1HD ARG 99 1.748 -12.833 -5.843
258 HE ARG 99 HE ARG 99 1.555 -10.448 -5.442
259 HH11 ARG 99 1HH1 ARG 99 -1.085 -11.863 -7.319
260 HH12 ARG 99 2HH1 ARG 99 -2.255 -10.761 -6.781
261 HH21 ARG 99 1HH2 ARG 99 -0.056 -8.885 -4.731
262 HH22 ARG 99 2HH2 ARG 99 -1.663 -9.036 -5.262
263 H ILE 100 H ILE 100 4.076 -8.857 -6.281
264 HA ILE 100 HA ILE 100 6.609 -7.474 -6.528
265 HB ILE 100 HB ILE 100 4.314 -6.854 -4.658
266 HG12 ILE 100 2HG1 ILE 100 3.422 -6.877 -6.932
267 HG13 ILE 100 1HG1 ILE 100 3.516 -5.229 -6.332
268 HG21 ILE 100 1HG2 ILE 100 5.231 -4.582 -4.673
269 HG22 ILE 100 2HG2 ILE 100 6.532 -5.127 -5.736
270 HG23 ILE 100 3HG2 ILE 100 6.396 -5.782 -4.101
271 HD11 ILE 100 1HD1 ILE 100 5.422 -6.546 -8.241
272 HD12 ILE 100 2HD1 ILE 100 5.561 -4.902 -7.609
273 HD13 ILE 100 3HD1 ILE 100 4.192 -5.337 -8.638
274 HA PRO 101 HA PRO 101 8.287 -9.668 -2.860
275 HB2 PRO 101 2HB PRO 101 10.132 -7.379 -2.788
276 HB3 PRO 101 1HB PRO 101 10.499 -9.105 -2.956
277 HG2 PRO 101 2HG PRO 101 10.836 -7.452 -4.989
278 HG3 PRO 101 1HG PRO 101 10.273 -9.118 -5.217
279 HD2 PRO 101 2HD PRO 101 8.701 -6.585 -5.310
280 HD3 PRO 101 1HD PRO 101 8.557 -8.059 -6.294
281 H ALA 102 H ALA 102 7.367 -9.582 -1.094
282 HA ALA 102 HA ALA 102 5.919 -7.500 0.035
283 HB1 ALA 102 1HB ALA 102 5.631 -9.854 0.627
284 HB2 ALA 102 2HB ALA 102 5.851 -8.836 2.052
285 HB3 ALA 102 3HB ALA 102 7.186 -9.832 1.460
286 H ASP 103 H ASP 103 9.255 -8.520 0.566
287 HA ASP 103 HA ASP 103 9.751 -6.724 2.678
288 HB2 ASP 103 2HB ASP 103 11.225 -8.667 2.131
289 HB3 ASP 103 1HB ASP 103 11.779 -7.772 0.712
290 H VAL 104 H VAL 104 9.828 -6.423 -0.786
291 HA VAL 104 HA VAL 104 11.067 -3.852 -0.762
292 HB VAL 104 HB VAL 104 9.620 -5.446 -2.872
293 HG11 VAL 104 1HG1 VAL 104 10.041 -3.652 -4.508
294 HG12 VAL 104 2HG1 VAL 104 10.601 -2.601 -3.202
295 HG13 VAL 104 3HG1 VAL 104 8.917 -3.146 -3.248
296 HG21 VAL 104 1HG2 VAL 104 11.789 -5.302 -4.007
297 HG22 VAL 104 2HG2 VAL 104 11.954 -5.974 -2.382
298 HG23 VAL 104 3HG2 VAL 104 12.403 -4.299 -2.696
299 H ILE 105 H ILE 105 7.760 -4.993 -0.741
300 HA ILE 105 HA ILE 105 6.458 -2.497 -0.950
301 HB ILE 105 HB ILE 105 5.564 -5.011 0.507
302 HG12 ILE 105 2HG1 ILE 105 4.942 -4.006 -2.268
303 HG13 ILE 105 1HG1 ILE 105 6.060 -5.298 -1.893
304 HG21 ILE 105 1HG2 ILE 105 3.930 -2.622 -0.376
305 HG22 ILE 105 2HG2 ILE 105 4.277 -3.091 1.287
306 HG23 ILE 105 3HG2 ILE 105 3.273 -4.126 0.271
307 HD11 ILE 105 1HD1 ILE 105 4.207 -6.642 -0.999
308 HD12 ILE 105 2HD1 ILE 105 3.902 -6.166 -2.668
309 HD13 ILE 105 3HD1 ILE 105 3.089 -5.325 -1.347
310 H ASP 106 H ASP 106 7.521 -4.356 1.841
311 HA ASP 106 HA ASP 106 6.696 -2.514 3.833
312 HB2 ASP 106 2HB ASP 106 7.137 -4.769 4.490
313 HB3 ASP 106 1HB ASP 106 8.746 -4.724 3.790
314 H ALA 107 H ALA 107 9.760 -2.978 2.158
315 HA ALA 107 HA ALA 107 11.220 -0.949 3.403
316 HB1 ALA 107 1HB ALA 107 12.658 -1.048 1.419
317 HB2 ALA 107 2HB ALA 107 11.388 -1.951 0.574
318 HB3 ALA 107 3HB ALA 107 12.196 -2.671 1.957
319 H TYR 108 H TYR 108 9.161 -0.891 0.539
320 HA TYR 108 HA TYR 108 9.420 1.748 -0.260
321 HB2 TYR 108 2HB TYR 108 8.245 0.163 -1.638
322 HB3 TYR 108 1HB TYR 108 7.081 -0.170 -0.372
323 HD1 TYR 108 1HD TYR 108 8.010 2.091 -3.089
324 HD2 TYR 108 2HD TYR 108 5.236 1.383 0.055
325 HE1 TYR 108 1HE TYR 108 6.478 3.715 -4.088
326 HE2 TYR 108 2HE TYR 108 3.688 3.009 -0.922
327 HH TYR 108 HH TYR 108 3.944 5.006 -2.352
328 H HIS 109 H HIS 109 7.079 0.335 1.947
329 HA HIS 109 HA HIS 109 5.825 2.744 2.618
330 HB2 HIS 109 2HB HIS 109 5.848 0.038 3.824
331 HB3 HIS 109 1HB HIS 109 5.025 1.325 4.683
332 HD1 HIS 109 1HD HIS 109 2.832 2.240 3.531
333 HD2 HIS 109 2HD HIS 109 4.655 -0.911 1.574
334 HE1 HIS 109 1HE HIS 109 1.113 1.338 1.923
335 H ALA 110 H ALA 110 8.614 1.147 3.954
336 HA ALA 110 HA ALA 110 8.690 2.879 6.267
337 HB1 ALA 110 1HB ALA 110 10.738 1.683 6.843
338 HB2 ALA 110 2HB ALA 110 10.722 0.885 5.271
339 HB3 ALA 110 3HB ALA 110 9.442 0.555 6.440
340 H ALA 111 H ALA 111 9.855 2.957 3.052
341 HA ALA 111 HA ALA 111 12.130 4.591 3.542
342 HB1 ALA 111 1HB ALA 111 11.983 3.150 1.577
343 HB2 ALA 111 2HB ALA 111 12.274 4.835 1.138
344 HB3 ALA 111 3HB ALA 111 10.663 4.140 0.956
345 H ASP 112 H ASP 112 11.942 6.461 4.339
346 HA ASP 112 HA ASP 112 10.194 8.403 3.045
347 HB2 ASP 112 2HB ASP 112 9.301 7.912 5.299
348 HB3 ASP 112 1HB ASP 112 10.888 8.243 5.996
Start of MODEL 14
1 H MET 65 1HT MET 65 8.011 -19.673 -18.614
2 HA MET 65 HA MET 65 5.873 -20.252 -16.637
3 HB2 MET 65 2HB MET 65 7.848 -22.141 -17.965
4 HB3 MET 65 1HB MET 65 6.729 -22.578 -16.689
5 HG2 MET 65 2HG MET 65 4.849 -22.145 -18.119
6 HG3 MET 65 1HG MET 65 5.909 -21.558 -19.394
7 HE1 MET 65 1HE MET 65 4.836 -23.131 -21.162
8 HE2 MET 65 2HE MET 65 3.698 -23.724 -19.955
9 HE3 MET 65 3HE MET 65 4.603 -24.864 -20.949
10 H SER 66 H SER 66 9.386 -19.995 -17.238
11 HA SER 66 HA SER 66 9.991 -20.525 -14.519
12 HB2 SER 66 2HB SER 66 12.310 -19.794 -15.299
13 HB3 SER 66 1HB SER 66 11.617 -21.188 -16.129
14 HG SER 66 HG SER 66 11.381 -20.052 -17.914
15 H GLY 67 H GLY 67 11.481 -18.810 -13.380
16 HA2 GLY 67 2HA GLY 67 11.721 -16.726 -12.498
17 HA3 GLY 67 1HA GLY 67 10.773 -16.070 -13.835
18 H SER 68 H SER 68 8.749 -15.490 -13.448
19 HA SER 68 HA SER 68 7.552 -16.274 -10.920
20 HB2 SER 68 2HB SER 68 6.760 -14.109 -12.904
21 HB3 SER 68 1HB SER 68 5.969 -14.403 -11.359
22 HG SER 68 HG SER 68 8.541 -14.157 -10.851
23 H GLY 69 H GLY 69 6.491 -18.138 -11.153
24 HA2 GLY 69 2HA GLY 69 5.442 -19.142 -13.597
25 HA3 GLY 69 1HA GLY 69 5.140 -19.806 -11.994
26 H ARG 70 H ARG 70 3.808 -18.113 -10.637
27 HA ARG 70 HA ARG 70 1.976 -16.551 -12.188
28 HB2 ARG 70 2HB ARG 70 -0.063 -17.525 -11.335
29 HB3 ARG 70 1HB ARG 70 0.836 -18.755 -12.205
30 HG2 ARG 70 2HG ARG 70 1.534 -19.763 -10.116
31 HG3 ARG 70 1HG ARG 70 0.763 -18.464 -9.202
32 HD2 ARG 70 2HD ARG 70 -0.646 -20.469 -9.260
33 HD3 ARG 70 1HD ARG 70 -1.409 -19.122 -10.086
34 HE ARG 70 HE ARG 70 0.131 -20.902 -11.728
35 HH11 ARG 70 1HH1 ARG 70 -3.118 -20.043 -10.528
36 HH12 ARG 70 2HH1 ARG 70 -3.920 -20.890 -11.761
37 HH21 ARG 70 1HH2 ARG 70 -1.024 -22.047 -13.416
38 HH22 ARG 70 2HH2 ARG 70 -2.722 -22.047 -13.410
39 H GLY 71 H GLY 71 1.019 -14.945 -10.974
40 HA2 GLY 71 2HA GLY 71 1.453 -14.991 -8.127
41 HA3 GLY 71 1HA GLY 71 2.264 -13.722 -9.043
42 H ARG 72 H ARG 72 0.007 -13.801 -7.094
43 HA ARG 72 HA ARG 72 -2.159 -12.703 -8.670
44 HB2 ARG 72 2HB ARG 72 -1.827 -12.830 -5.661
45 HB3 ARG 72 1HB ARG 72 -3.288 -12.378 -6.511
46 HG2 ARG 72 2HG ARG 72 -3.484 -14.642 -7.427
47 HG3 ARG 72 1HG ARG 72 -1.998 -15.108 -6.591
48 HD2 ARG 72 2HD ARG 72 -3.091 -14.533 -4.437
49 HD3 ARG 72 1HD ARG 72 -4.565 -14.176 -5.328
50 HE ARG 72 HE ARG 72 -4.238 -16.674 -6.061
51 HH11 ARG 72 1HH1 ARG 72 -3.729 -15.302 -2.823
52 HH12 ARG 72 2HH1 ARG 72 -4.136 -16.736 -2.009
53 HH21 ARG 72 1HH2 ARG 72 -4.834 -18.627 -4.896
54 HH22 ARG 72 2HH2 ARG 72 -4.792 -18.663 -3.198
55 H GLY 73 H GLY 73 0.396 -11.720 -6.535
56 HA2 GLY 73 2HA GLY 73 1.531 -9.755 -6.345
57 HA3 GLY 73 1HA GLY 73 0.622 -9.157 -7.726
58 H ALA 74 H ALA 74 -1.327 -8.177 -7.416
59 HA ALA 74 HA ALA 74 -2.509 -7.711 -4.917
60 HB1 ALA 74 1HB ALA 74 -0.932 -5.445 -6.165
61 HB2 ALA 74 2HB ALA 74 -0.579 -6.216 -4.622
62 HB3 ALA 74 3HB ALA 74 -2.062 -5.280 -4.821
63 H ILE 75 H ILE 75 -4.078 -5.741 -5.351
64 HA ILE 75 HA ILE 75 -5.285 -6.249 -7.970
65 HB ILE 75 HB ILE 75 -6.496 -5.226 -5.361
66 HG12 ILE 75 2HG1 ILE 75 -6.838 -7.898 -6.737
67 HG13 ILE 75 1HG1 ILE 75 -5.820 -7.609 -5.335
68 HG21 ILE 75 1HG2 ILE 75 -7.658 -4.321 -7.328
69 HG22 ILE 75 2HG2 ILE 75 -8.669 -5.485 -6.468
70 HG23 ILE 75 3HG2 ILE 75 -7.860 -5.960 -7.956
71 HD11 ILE 75 1HD1 ILE 75 -7.947 -8.631 -4.741
72 HD12 ILE 75 2HD1 ILE 75 -8.799 -7.249 -5.437
73 HD13 ILE 75 3HD1 ILE 75 -7.763 -7.033 -4.026
74 H ASP 76 H ASP 76 -5.976 -4.324 -9.150
75 HA ASP 76 HA ASP 76 -4.225 -2.128 -8.553
76 HB2 ASP 76 2HB ASP 76 -4.577 -2.958 -10.905
77 HB3 ASP 76 1HB ASP 76 -6.193 -2.256 -10.837
78 H ARG 77 H ARG 77 -5.334 -1.985 -6.630
79 HA ARG 77 HA ARG 77 -7.380 0.176 -6.566
80 HB2 ARG 77 2HB ARG 77 -8.396 -1.784 -5.602
81 HB3 ARG 77 1HB ARG 77 -6.934 -2.182 -4.715
82 HG2 ARG 77 2HG ARG 77 -7.257 -0.095 -3.378
83 HG3 ARG 77 1HG ARG 77 -8.806 0.109 -4.190
84 HD2 ARG 77 2HD ARG 77 -8.933 -0.940 -1.923
85 HD3 ARG 77 1HD ARG 77 -9.656 -1.898 -3.209
86 HE ARG 77 HE ARG 77 -8.237 -3.537 -2.730
87 HH11 ARG 77 1HH1 ARG 77 -6.543 -0.603 -1.512
88 HH12 ARG 77 2HH1 ARG 77 -5.321 -1.502 -0.747
89 HH21 ARG 77 1HH2 ARG 77 -6.571 -4.682 -1.613
90 HH22 ARG 77 2HH2 ARG 77 -5.357 -3.854 -0.756
91 H GLU 78 H GLU 78 -4.333 -1.084 -5.673
92 HA GLU 78 HA GLU 78 -3.735 1.158 -3.928
93 HB2 GLU 78 2HB GLU 78 -4.366 -1.019 -2.772
94 HB3 GLU 78 1HB GLU 78 -2.965 -1.729 -3.542
95 HG2 GLU 78 2HG GLU 78 -1.512 -0.230 -2.320
96 HG3 GLU 78 1HG GLU 78 -2.924 0.543 -1.586
97 H GLN 79 H GLN 79 -1.671 1.870 -4.347
98 HA GLN 79 HA GLN 79 -0.579 1.234 -6.870
99 HB2 GLN 79 2HB GLN 79 0.460 2.981 -4.669
100 HB3 GLN 79 1HB GLN 79 1.248 2.800 -6.223
101 HG2 GLN 79 2HG GLN 79 -1.554 3.824 -5.824
102 HG3 GLN 79 1HG GLN 79 -0.131 4.825 -6.094
103 HE21 GLN 79 1HE2 GLN 79 -2.567 4.555 -7.641
104 HE22 GLN 79 2HE2 GLN 79 -2.079 4.161 -9.242
105 H SER 80 H SER 80 -0.114 -0.890 -6.735
106 HA SER 80 HA SER 80 2.232 -1.680 -5.184
107 HB2 SER 80 2HB SER 80 1.530 -3.958 -6.224
108 HB3 SER 80 1HB SER 80 0.541 -3.278 -4.931
109 HG SER 80 HG SER 80 -0.917 -2.571 -6.400
110 H ALA 81 H ALA 81 1.090 -0.986 -8.373
111 HA ALA 81 HA ALA 81 3.309 -1.951 -9.828
112 HB1 ALA 81 1HB ALA 81 1.423 0.323 -10.481
113 HB2 ALA 81 2HB ALA 81 1.178 -1.368 -10.904
114 HB3 ALA 81 3HB ALA 81 2.516 -0.466 -11.617
115 H ALA 82 H ALA 82 2.534 1.118 -8.297
116 HA ALA 82 HA ALA 82 4.819 2.550 -9.052
117 HB1 ALA 82 1HB ALA 82 4.303 4.050 -7.235
118 HB2 ALA 82 2HB ALA 82 3.292 2.831 -6.475
119 HB3 ALA 82 3HB ALA 82 2.791 3.558 -8.008
120 H ILE 83 H ILE 83 4.205 0.337 -6.382
121 HA ILE 83 HA ILE 83 6.664 0.685 -5.048
122 HB ILE 83 HB ILE 83 4.886 -1.791 -5.127
123 HG12 ILE 83 2HG1 ILE 83 5.036 0.481 -3.129
124 HG13 ILE 83 1HG1 ILE 83 3.758 0.243 -4.308
125 HG21 ILE 83 1HG2 ILE 83 6.007 -2.427 -3.026
126 HG22 ILE 83 2HG2 ILE 83 7.072 -1.031 -3.174
127 HG23 ILE 83 3HG2 ILE 83 7.156 -2.332 -4.363
128 HD11 ILE 83 1HD1 ILE 83 4.403 -1.581 -1.995
129 HD12 ILE 83 2HD1 ILE 83 3.126 -1.839 -3.187
130 HD13 ILE 83 3HD1 ILE 83 3.053 -0.449 -2.109
131 H ARG 84 H ARG 84 5.653 -1.478 -7.663
132 HA ARG 84 HA ARG 84 8.098 -2.845 -7.979
133 HB2 ARG 84 2HB ARG 84 6.028 -2.144 -10.061
134 HB3 ARG 84 1HB ARG 84 7.415 -3.175 -10.366
135 HG2 ARG 84 2HG ARG 84 6.590 -4.735 -8.661
136 HG3 ARG 84 1HG ARG 84 5.172 -3.707 -8.440
137 HD2 ARG 84 2HD ARG 84 4.698 -5.588 -9.930
138 HD3 ARG 84 1HD ARG 84 4.551 -4.044 -10.769
139 HE ARG 84 HE ARG 84 7.056 -4.699 -11.363
140 HH11 ARG 84 1HH1 ARG 84 4.103 -6.649 -11.514
141 HH12 ARG 84 2HH1 ARG 84 4.613 -7.611 -12.798
142 HH21 ARG 84 1HH2 ARG 84 7.811 -6.017 -13.130
143 HH22 ARG 84 2HH2 ARG 84 6.801 -7.236 -13.766
144 H GLU 85 H GLU 85 6.931 0.153 -9.402
145 HA GLU 85 HA GLU 85 9.153 0.634 -11.060
146 HB2 GLU 85 2HB GLU 85 7.253 2.619 -9.804
147 HB3 GLU 85 1HB GLU 85 8.394 2.991 -11.089
148 HG2 GLU 85 2HG GLU 85 7.233 1.371 -12.550
149 HG3 GLU 85 1HG GLU 85 6.065 1.089 -11.261
150 H TRP 86 H TRP 86 8.414 1.765 -7.798
151 HA TRP 86 HA TRP 86 10.756 3.159 -7.259
152 HB2 TRP 86 2HB TRP 86 8.796 3.317 -5.853
153 HB3 TRP 86 1HB TRP 86 8.856 1.602 -5.495
154 HD1 TRP 86 HD TRP 86 10.455 4.927 -4.512
155 HE1 TRP 86 1HE TRP 86 11.757 4.581 -2.321
156 HE3 TRP 86 3HE TRP 86 10.081 -0.130 -4.162
157 HZ2 TRP 86 2HZ TRP 86 12.523 2.412 -0.655
158 HZ3 TRP 86 3HZ TRP 86 11.124 -1.271 -2.262
159 HH2 TRP 86 HH TRP 86 12.315 -0.020 -0.541
160 H ALA 87 H ALA 87 9.958 -0.252 -6.873
161 HA ALA 87 HA ALA 87 12.334 -1.105 -5.695
162 HB1 ALA 87 1HB ALA 87 11.644 -3.363 -6.403
163 HB2 ALA 87 2HB ALA 87 10.412 -2.630 -7.441
164 HB3 ALA 87 3HB ALA 87 10.308 -2.452 -5.696
165 H ARG 88 H ARG 88 11.433 -0.580 -9.015
166 HA ARG 88 HA ARG 88 13.758 -1.745 -10.192
167 HB2 ARG 88 2HB ARG 88 11.708 0.200 -11.228
168 HB3 ARG 88 1HB ARG 88 13.003 -0.456 -12.219
169 HG2 ARG 88 2HG ARG 88 12.131 -2.684 -11.949
170 HG3 ARG 88 1HG ARG 88 10.932 -2.106 -10.803
171 HD2 ARG 88 2HD ARG 88 10.035 -2.479 -13.083
172 HD3 ARG 88 1HD ARG 88 9.800 -0.840 -12.482
173 HE ARG 88 HE ARG 88 12.189 -1.075 -13.989
174 HH11 ARG 88 1HH1 ARG 88 8.667 -0.850 -14.397
175 HH12 ARG 88 2HH1 ARG 88 8.784 -0.081 -15.912
176 HH21 ARG 88 1HH2 ARG 88 12.296 0.001 -16.046
177 HH22 ARG 88 2HH2 ARG 88 10.868 0.419 -16.870
178 H ARG 89 H ARG 89 12.856 1.448 -9.112
179 HA ARG 89 HA ARG 89 15.068 2.901 -10.151
180 HB2 ARG 89 2HB ARG 89 13.493 3.427 -7.629
181 HB3 ARG 89 1HB ARG 89 14.533 4.592 -8.435
182 HG2 ARG 89 2HG ARG 89 13.047 4.578 -10.346
183 HG3 ARG 89 1HG ARG 89 12.046 3.356 -9.562
184 HD2 ARG 89 2HD ARG 89 11.759 4.959 -7.662
185 HD3 ARG 89 1HD ARG 89 12.520 6.184 -8.681
186 HE ARG 89 HE ARG 89 10.624 5.274 -10.272
187 HH11 ARG 89 1HH1 ARG 89 10.492 6.350 -6.899
188 HH12 ARG 89 2HH1 ARG 89 8.857 6.789 -6.956
189 HH21 ARG 89 1HH2 ARG 89 8.329 5.860 -10.326
190 HH22 ARG 89 2HH2 ARG 89 7.604 6.475 -8.926
191 H ASN 90 H ASN 90 14.494 1.201 -7.167
192 HA ASN 90 HA ASN 90 17.123 1.806 -6.149
193 HB2 ASN 90 2HB ASN 90 14.884 0.116 -5.075
194 HB3 ASN 90 1HB ASN 90 16.453 0.183 -4.287
195 HD21 ASN 90 1HD2 ASN 90 13.523 1.920 -5.003
196 HD22 ASN 90 2HD2 ASN 90 13.841 3.233 -3.935
197 H GLY 91 H GLY 91 15.526 -0.974 -7.545
198 HA2 GLY 91 2HA GLY 91 16.622 -2.557 -8.856
199 HA3 GLY 91 1HA GLY 91 18.152 -2.068 -8.131
200 H HIS 92 H HIS 92 15.038 -3.407 -7.106
201 HA HIS 92 HA HIS 92 16.478 -4.992 -5.108
202 HB2 HIS 92 2HB HIS 92 13.498 -4.602 -5.468
203 HB3 HIS 92 1HB HIS 92 14.223 -5.580 -4.200
204 HD1 HIS 92 1HD HIS 92 16.314 -3.777 -2.972
205 HD2 HIS 92 2HD HIS 92 12.649 -2.389 -4.332
206 HE1 HIS 92 1HE HIS 92 15.953 -1.533 -1.886
207 H ASN 93 H ASN 93 16.402 -5.472 -8.030
208 HA ASN 93 HA ASN 93 16.675 -7.214 -9.397
209 HB2 ASN 93 2HB ASN 93 16.428 -8.835 -6.865
210 HB3 ASN 93 1HB ASN 93 16.744 -9.572 -8.426
211 HD21 ASN 93 1HD2 ASN 93 18.725 -10.341 -7.787
212 HD22 ASN 93 2HD2 ASN 93 20.099 -9.322 -7.525
213 H VAL 94 H VAL 94 14.025 -6.243 -8.555
214 HA VAL 94 HA VAL 94 12.197 -8.439 -8.965
215 HB VAL 94 HB VAL 94 11.583 -5.465 -8.977
216 HG11 VAL 94 1HG1 VAL 94 9.727 -7.821 -8.629
217 HG12 VAL 94 2HG1 VAL 94 9.823 -6.775 -10.045
218 HG13 VAL 94 3HG1 VAL 94 9.271 -6.122 -8.505
219 HG21 VAL 94 1HG2 VAL 94 12.576 -6.162 -6.856
220 HG22 VAL 94 2HG2 VAL 94 11.375 -7.449 -6.712
221 HG23 VAL 94 3HG2 VAL 94 10.871 -5.760 -6.656
222 H SER 95 H SER 95 12.502 -5.402 -10.751
223 HA SER 95 HA SER 95 12.036 -4.799 -12.835
224 HB2 SER 95 2HB SER 95 14.235 -5.797 -13.200
225 HB3 SER 95 1HB SER 95 13.501 -7.371 -13.479
226 HG SER 95 HG SER 95 13.363 -5.044 -15.084
227 H THR 96 H THR 96 11.637 -8.233 -13.744
228 HA THR 96 HA THR 96 8.961 -7.535 -14.631
229 HB THR 96 HB THR 96 9.363 -9.637 -16.073
230 HG1 THR 96 1HG THR 96 11.392 -10.354 -16.163
231 HG21 THR 96 1HG2 THR 96 10.981 -7.116 -16.537
232 HG22 THR 96 2HG2 THR 96 9.278 -7.326 -16.944
233 HG23 THR 96 3HG2 THR 96 10.503 -8.279 -17.777
234 H ARG 97 H ARG 97 10.357 -9.064 -12.083
235 HA ARG 97 HA ARG 97 8.858 -11.466 -11.933
236 HB2 ARG 97 2HB ARG 97 9.838 -9.786 -9.605
237 HB3 ARG 97 1HB ARG 97 9.354 -11.473 -9.534
238 HG2 ARG 97 2HG ARG 97 11.248 -12.044 -11.014
239 HG3 ARG 97 1HG ARG 97 11.742 -10.350 -10.980
240 HD2 ARG 97 2HD ARG 97 11.819 -10.580 -8.459
241 HD3 ARG 97 1HD ARG 97 11.685 -12.320 -8.706
242 HE ARG 97 HE ARG 97 13.834 -10.650 -9.802
243 HH11 ARG 97 1HH1 ARG 97 12.817 -13.704 -8.294
244 HH12 ARG 97 2HH1 ARG 97 14.401 -14.301 -8.145
245 HH21 ARG 97 1HH2 ARG 97 16.009 -11.497 -9.582
246 HH22 ARG 97 2HH2 ARG 97 16.255 -13.026 -8.906
247 H GLY 98 H GLY 98 6.848 -11.863 -11.246
248 HA2 GLY 98 2HA GLY 98 5.013 -9.637 -11.433
249 HA3 GLY 98 1HA GLY 98 4.598 -11.336 -11.245
250 H ARG 99 H ARG 99 6.323 -11.458 -8.858
251 HA ARG 99 HA ARG 99 4.220 -10.617 -7.014
252 HB2 ARG 99 2HB ARG 99 6.612 -12.371 -6.609
253 HB3 ARG 99 1HB ARG 99 5.310 -12.119 -5.446
254 HG2 ARG 99 2HG ARG 99 3.751 -13.204 -6.979
255 HG3 ARG 99 1HG ARG 99 5.050 -13.417 -8.151
256 HD2 ARG 99 2HD ARG 99 4.895 -14.632 -5.395
257 HD3 ARG 99 1HD ARG 99 4.691 -15.451 -6.946
258 HE ARG 99 HE ARG 99 7.219 -14.111 -6.608
259 HH11 ARG 99 1HH1 ARG 99 5.514 -17.205 -6.335
260 HH12 ARG 99 2HH1 ARG 99 6.935 -18.132 -6.207
261 HH21 ARG 99 1HH2 ARG 99 9.124 -15.342 -6.470
262 HH22 ARG 99 2HH2 ARG 99 9.069 -17.040 -6.287
263 H ILE 100 H ILE 100 4.521 -8.892 -5.724
264 HA ILE 100 HA ILE 100 7.182 -7.773 -5.595
265 HB ILE 100 HB ILE 100 4.642 -6.666 -4.330
266 HG12 ILE 100 2HG1 ILE 100 5.050 -4.801 -6.133
267 HG13 ILE 100 1HG1 ILE 100 5.929 -6.066 -6.980
268 HG21 ILE 100 1HG2 ILE 100 7.339 -5.391 -4.707
269 HG22 ILE 100 2HG2 ILE 100 6.665 -6.006 -3.201
270 HG23 ILE 100 3HG2 ILE 100 5.918 -4.615 -3.997
271 HD11 ILE 100 1HD1 ILE 100 3.684 -5.872 -7.814
272 HD12 ILE 100 2HD1 ILE 100 3.032 -6.085 -6.200
273 HD13 ILE 100 3HD1 ILE 100 3.867 -7.433 -6.998
274 HA PRO 101 HA PRO 101 7.805 -10.022 -1.723
275 HB2 PRO 101 2HB PRO 101 10.007 -8.069 -1.529
276 HB3 PRO 101 1HB PRO 101 10.072 -9.839 -1.437
277 HG2 PRO 101 2HG PRO 101 11.002 -8.593 -3.553
278 HG3 PRO 101 1HG PRO 101 10.100 -10.117 -3.709
279 HD2 PRO 101 2HD PRO 101 9.182 -7.333 -4.260
280 HD3 PRO 101 1HD PRO 101 8.837 -8.847 -5.125
281 H ALA 102 H ALA 102 6.975 -9.642 0.118
282 HA ALA 102 HA ALA 102 5.778 -7.219 0.861
283 HB1 ALA 102 1HB ALA 102 5.487 -8.261 3.070
284 HB2 ALA 102 2HB ALA 102 6.627 -9.526 2.613
285 HB3 ALA 102 3HB ALA 102 5.083 -9.384 1.771
286 H ASP 103 H ASP 103 8.887 -8.559 1.303
287 HA ASP 103 HA ASP 103 10.033 -6.869 3.235
288 HB2 ASP 103 2HB ASP 103 11.388 -8.047 0.796
289 HB3 ASP 103 1HB ASP 103 12.177 -7.537 2.281
290 H VAL 104 H VAL 104 9.629 -6.606 -0.250
291 HA VAL 104 HA VAL 104 11.050 -4.140 -0.511
292 HB VAL 104 HB VAL 104 9.223 -5.673 -2.383
293 HG11 VAL 104 1HG1 VAL 104 8.906 -3.302 -2.848
294 HG12 VAL 104 2HG1 VAL 104 9.787 -4.089 -4.154
295 HG13 VAL 104 3HG1 VAL 104 10.654 -3.075 -2.992
296 HG21 VAL 104 1HG2 VAL 104 12.163 -5.027 -2.472
297 HG22 VAL 104 2HG2 VAL 104 11.280 -5.987 -3.660
298 HG23 VAL 104 3HG2 VAL 104 11.459 -6.572 -2.002
299 H ILE 105 H ILE 105 7.673 -5.050 -0.271
300 HA ILE 105 HA ILE 105 6.555 -2.486 -0.527
301 HB ILE 105 HB ILE 105 5.541 -4.890 1.030
302 HG12 ILE 105 2HG1 ILE 105 4.903 -3.911 -1.751
303 HG13 ILE 105 1HG1 ILE 105 5.948 -5.265 -1.368
304 HG21 ILE 105 1HG2 ILE 105 4.417 -2.852 1.788
305 HG22 ILE 105 2HG2 ILE 105 3.311 -3.866 0.861
306 HG23 ILE 105 3HG2 ILE 105 4.029 -2.435 0.119
307 HD11 ILE 105 1HD1 ILE 105 3.739 -6.016 -2.072
308 HD12 ILE 105 2HD1 ILE 105 2.994 -5.076 -0.778
309 HD13 ILE 105 3HD1 ILE 105 4.030 -6.448 -0.388
310 H ASP 106 H ASP 106 7.700 -4.290 2.267
311 HA ASP 106 HA ASP 106 7.013 -2.478 4.309
312 HB2 ASP 106 2HB ASP 106 7.642 -4.767 4.797
313 HB3 ASP 106 1HB ASP 106 9.229 -4.522 4.093
314 H ALA 107 H ALA 107 9.894 -2.845 2.351
315 HA ALA 107 HA ALA 107 11.388 -0.760 3.485
316 HB1 ALA 107 1HB ALA 107 12.360 -2.508 2.091
317 HB2 ALA 107 2HB ALA 107 12.733 -0.911 1.429
318 HB3 ALA 107 3HB ALA 107 11.459 -1.908 0.707
319 H TYR 108 H TYR 108 9.169 -0.854 0.718
320 HA TYR 108 HA TYR 108 9.393 1.807 -0.131
321 HB2 TYR 108 2HB TYR 108 8.278 0.115 -1.491
322 HB3 TYR 108 1HB TYR 108 7.037 -0.103 -0.267
323 HD1 TYR 108 1HD TYR 108 8.234 2.032 -3.000
324 HD2 TYR 108 2HD TYR 108 5.231 1.533 -0.033
325 HE1 TYR 108 1HE TYR 108 6.848 3.705 -4.129
326 HE2 TYR 108 2HE TYR 108 3.835 3.194 -1.135
327 HH TYR 108 HH TYR 108 4.140 5.069 -2.578
328 H HIS 109 H HIS 109 7.295 0.332 2.257
329 HA HIS 109 HA HIS 109 5.905 2.731 2.909
330 HB2 HIS 109 2HB HIS 109 6.056 0.016 4.178
331 HB3 HIS 109 1HB HIS 109 5.191 1.304 4.991
332 HD1 HIS 109 1HD HIS 109 2.701 0.993 4.538
333 HD2 HIS 109 2HD HIS 109 5.043 -0.028 1.263
334 HE1 HIS 109 1HE HIS 109 1.113 0.296 2.722
335 H ALA 110 H ALA 110 8.821 1.253 4.060
336 HA ALA 110 HA ALA 110 9.078 2.944 6.361
337 HB1 ALA 110 1HB ALA 110 10.215 0.766 6.253
338 HB2 ALA 110 2HB ALA 110 11.380 2.071 6.477
339 HB3 ALA 110 3HB ALA 110 11.174 1.338 4.889
340 H ALA 111 H ALA 111 10.155 2.996 3.047
341 HA ALA 111 HA ALA 111 11.720 5.376 3.306
342 HB1 ALA 111 1HB ALA 111 11.874 5.263 0.869
343 HB2 ALA 111 2HB ALA 111 10.653 3.994 0.842
344 HB3 ALA 111 3HB ALA 111 12.219 3.690 1.586
345 H ASP 112 H ASP 112 11.185 7.376 2.427
346 HA ASP 112 HA ASP 112 8.336 7.940 2.523
347 HB2 ASP 112 2HB ASP 112 9.730 9.444 3.828
348 HB3 ASP 112 1HB ASP 112 10.714 9.802 2.410
Start of MODEL 15
1 H MET 65 1HT MET 65 14.021 27.911 -2.866
2 HA MET 65 HA MET 65 13.217 29.827 -3.959
3 HB2 MET 65 2HB MET 65 13.751 28.262 -6.505
4 HB3 MET 65 1HB MET 65 12.904 29.796 -6.410
5 HG2 MET 65 2HG MET 65 14.965 30.866 -5.629
6 HG3 MET 65 1HG MET 65 15.800 29.318 -5.751
7 HE1 MET 65 1HE MET 65 14.167 31.731 -9.338
8 HE2 MET 65 2HE MET 65 14.127 32.287 -7.667
9 HE3 MET 65 3HE MET 65 13.097 30.946 -8.178
10 H SER 66 H SER 66 10.973 29.879 -4.405
11 HA SER 66 HA SER 66 9.782 27.334 -3.883
12 HB2 SER 66 2HB SER 66 8.544 30.082 -3.964
13 HB3 SER 66 1HB SER 66 7.697 28.590 -3.525
14 HG SER 66 HG SER 66 10.084 29.292 -2.252
15 H GLY 67 H GLY 67 9.859 26.182 -5.664
16 HA2 GLY 67 2HA GLY 67 8.306 27.120 -7.981
17 HA3 GLY 67 1HA GLY 67 9.574 25.888 -8.060
18 H SER 68 H SER 68 6.777 26.505 -6.005
19 HA SER 68 HA SER 68 6.306 23.802 -5.472
20 HB2 SER 68 2HB SER 68 4.457 26.159 -5.147
21 HB3 SER 68 1HB SER 68 4.391 24.624 -4.278
22 HG SER 68 HG SER 68 5.599 25.596 -2.910
23 H GLY 69 H GLY 69 4.982 22.390 -6.382
24 HA2 GLY 69 2HA GLY 69 3.070 23.263 -8.392
25 HA3 GLY 69 1HA GLY 69 4.338 22.136 -8.878
26 H ARG 70 H ARG 70 4.599 20.267 -7.255
27 HA ARG 70 HA ARG 70 1.952 19.409 -6.392
28 HB2 ARG 70 2HB ARG 70 4.010 17.686 -7.806
29 HB3 ARG 70 1HB ARG 70 2.531 17.086 -7.075
30 HG2 ARG 70 2HG ARG 70 2.720 18.981 -9.419
31 HG3 ARG 70 1HG ARG 70 2.285 17.276 -9.487
32 HD2 ARG 70 2HD ARG 70 0.280 17.696 -8.196
33 HD3 ARG 70 1HD ARG 70 0.735 19.383 -7.975
34 HE ARG 70 HE ARG 70 0.013 18.149 -10.538
35 HH11 ARG 70 1HH1 ARG 70 0.252 21.040 -8.471
36 HH12 ARG 70 2HH1 ARG 70 -0.735 21.993 -9.457
37 HH21 ARG 70 1HH2 ARG 70 -1.339 19.529 -11.908
38 HH22 ARG 70 2HH2 ARG 70 -1.596 21.161 -11.465
39 H GLY 71 H GLY 71 1.890 18.948 -4.362
40 HA2 GLY 71 2HA GLY 71 4.366 18.726 -2.898
41 HA3 GLY 71 1HA GLY 71 2.742 18.946 -2.232
42 H ARG 72 H ARG 72 4.598 16.918 -1.417
43 HA ARG 72 HA ARG 72 3.339 14.626 -2.650
44 HB2 ARG 72 2HB ARG 72 5.746 14.675 -0.823
45 HB3 ARG 72 1HB ARG 72 5.132 13.263 -1.667
46 HG2 ARG 72 2HG ARG 72 6.307 15.725 -2.942
47 HG3 ARG 72 1HG ARG 72 7.101 14.163 -2.745
48 HD2 ARG 72 2HD ARG 72 5.539 13.115 -4.230
49 HD3 ARG 72 1HD ARG 72 4.566 14.587 -4.319
50 HE ARG 72 HE ARG 72 7.194 15.142 -5.079
51 HH11 ARG 72 1HH1 ARG 72 4.403 13.376 -6.324
52 HH12 ARG 72 2HH1 ARG 72 4.748 13.733 -7.956
53 HH21 ARG 72 1HH2 ARG 72 7.637 15.645 -7.317
54 HH22 ARG 72 2HH2 ARG 72 6.585 15.068 -8.532
55 H GLY 73 H GLY 73 2.182 13.195 -1.420
56 HA2 GLY 73 2HA GLY 73 1.553 14.121 1.290
57 HA3 GLY 73 1HA GLY 73 0.498 13.137 0.274
58 H ALA 74 H ALA 74 0.417 11.736 2.147
59 HA ALA 74 HA ALA 74 2.825 10.152 2.493
60 HB1 ALA 74 1HB ALA 74 1.640 9.216 4.447
61 HB2 ALA 74 2HB ALA 74 0.257 10.254 4.097
62 HB3 ALA 74 3HB ALA 74 1.798 10.968 4.569
63 H ILE 75 H ILE 75 2.858 8.207 1.599
64 HA ILE 75 HA ILE 75 0.725 7.640 -0.116
65 HB ILE 75 HB ILE 75 3.249 6.097 0.466
66 HG12 ILE 75 2HG1 ILE 75 3.783 6.612 -1.956
67 HG13 ILE 75 1HG1 ILE 75 2.356 7.632 -1.991
68 HG21 ILE 75 1HG2 ILE 75 1.107 5.306 -1.489
69 HG22 ILE 75 2HG2 ILE 75 1.638 4.403 -0.068
70 HG23 ILE 75 3HG2 ILE 75 2.724 4.612 -1.444
71 HD11 ILE 75 1HD1 ILE 75 4.376 8.944 -1.742
72 HD12 ILE 75 2HD1 ILE 75 4.808 8.043 -0.291
73 HD13 ILE 75 3HD1 ILE 75 3.378 9.075 -0.293
74 H ASP 76 H ASP 76 -0.856 6.292 0.159
75 HA ASP 76 HA ASP 76 -1.193 5.145 2.851
76 HB2 ASP 76 2HB ASP 76 -2.783 6.899 2.284
77 HB3 ASP 76 1HB ASP 76 -3.259 6.012 0.839
78 H ARG 77 H ARG 77 -2.103 4.504 -0.485
79 HA ARG 77 HA ARG 77 -2.862 1.832 0.366
80 HB2 ARG 77 2HB ARG 77 -4.230 3.510 -1.092
81 HB3 ARG 77 1HB ARG 77 -3.138 2.871 -2.342
82 HG2 ARG 77 2HG ARG 77 -3.951 0.663 -2.076
83 HG3 ARG 77 1HG ARG 77 -4.954 1.140 -0.704
84 HD2 ARG 77 2HD ARG 77 -5.244 2.144 -3.527
85 HD3 ARG 77 1HD ARG 77 -6.276 0.938 -2.752
86 HE ARG 77 HE ARG 77 -6.578 2.940 -1.070
87 HH11 ARG 77 1HH1 ARG 77 -6.687 3.009 -4.594
88 HH12 ARG 77 2HH1 ARG 77 -7.638 4.414 -4.687
89 HH21 ARG 77 1HH2 ARG 77 -7.863 4.827 -1.170
90 HH22 ARG 77 2HH2 ARG 77 -8.346 5.501 -2.653
91 H GLU 78 H GLU 78 -2.200 0.058 -0.788
92 HA GLU 78 HA GLU 78 0.498 -0.065 -1.540
93 HB2 GLU 78 2HB GLU 78 -0.950 -1.835 -0.553
94 HB3 GLU 78 1HB GLU 78 -1.752 -1.908 -2.114
95 HG2 GLU 78 2HG GLU 78 0.333 -2.614 -3.196
96 HG3 GLU 78 1HG GLU 78 1.184 -2.499 -1.656
97 H GLN 79 H GLN 79 1.107 0.943 -3.329
98 HA GLN 79 HA GLN 79 -0.499 0.716 -5.765
99 HB2 GLN 79 2HB GLN 79 1.719 2.615 -5.007
100 HB3 GLN 79 1HB GLN 79 0.976 2.560 -6.597
101 HG2 GLN 79 2HG GLN 79 -1.135 3.264 -5.691
102 HG3 GLN 79 1HG GLN 79 -0.508 3.146 -4.045
103 HE21 GLN 79 1HE2 GLN 79 0.832 4.699 -3.299
104 HE22 GLN 79 2HE2 GLN 79 1.067 6.229 -4.084
105 H SER 80 H SER 80 0.137 -1.353 -6.244
106 HA SER 80 HA SER 80 2.562 -2.555 -5.949
107 HB2 SER 80 2HB SER 80 0.580 -3.080 -8.145
108 HB3 SER 80 1HB SER 80 1.791 -4.211 -7.532
109 HG SER 80 HG SER 80 -0.649 -3.566 -6.546
110 H ALA 81 H ALA 81 1.511 -0.804 -8.894
111 HA ALA 81 HA ALA 81 3.885 -1.455 -10.287
112 HB1 ALA 81 1HB ALA 81 1.889 0.734 -10.852
113 HB2 ALA 81 2HB ALA 81 1.849 -0.908 -11.500
114 HB3 ALA 81 3HB ALA 81 3.157 0.188 -11.944
115 H ALA 82 H ALA 82 2.878 1.272 -8.341
116 HA ALA 82 HA ALA 82 5.126 2.916 -8.900
117 HB1 ALA 82 1HB ALA 82 3.035 3.808 -7.945
118 HB2 ALA 82 2HB ALA 82 4.441 4.226 -6.954
119 HB3 ALA 82 3HB ALA 82 3.359 2.933 -6.452
120 H ILE 83 H ILE 83 4.455 0.456 -6.494
121 HA ILE 83 HA ILE 83 6.794 0.748 -4.955
122 HB ILE 83 HB ILE 83 5.167 -1.776 -5.478
123 HG12 ILE 83 2HG1 ILE 83 5.097 0.140 -3.129
124 HG13 ILE 83 1HG1 ILE 83 3.909 0.093 -4.426
125 HG21 ILE 83 1HG2 ILE 83 7.218 -1.220 -3.323
126 HG22 ILE 83 2HG2 ILE 83 7.401 -2.345 -4.668
127 HG23 ILE 83 3HG2 ILE 83 6.198 -2.654 -3.417
128 HD11 ILE 83 1HD1 ILE 83 3.104 -1.019 -2.419
129 HD12 ILE 83 2HD1 ILE 83 4.473 -2.131 -2.480
130 HD13 ILE 83 3HD1 ILE 83 3.258 -2.154 -3.761
131 H ARG 84 H ARG 84 6.076 -1.196 -7.825
132 HA ARG 84 HA ARG 84 8.643 -2.352 -8.004
133 HB2 ARG 84 2HB ARG 84 6.639 -1.887 -10.237
134 HB3 ARG 84 1HB ARG 84 8.089 -2.860 -10.397
135 HG2 ARG 84 2HG ARG 84 7.204 -4.346 -8.583
136 HG3 ARG 84 1HG ARG 84 5.711 -3.418 -8.633
137 HD2 ARG 84 2HD ARG 84 5.447 -4.026 -11.021
138 HD3 ARG 84 1HD ARG 84 6.912 -5.001 -10.908
139 HE ARG 84 HE ARG 84 4.440 -5.526 -9.387
140 HH11 ARG 84 1HH1 ARG 84 7.189 -6.787 -11.208
141 HH12 ARG 84 2HH1 ARG 84 6.864 -8.423 -10.881
142 HH21 ARG 84 1HH2 ARG 84 3.912 -7.734 -9.012
143 HH22 ARG 84 2HH2 ARG 84 4.872 -9.004 -9.612
144 H GLU 85 H GLU 85 7.322 0.646 -9.258
145 HA GLU 85 HA GLU 85 9.488 1.469 -10.835
146 HB2 GLU 85 2HB GLU 85 7.532 3.122 -9.234
147 HB3 GLU 85 1HB GLU 85 8.682 3.805 -10.374
148 HG2 GLU 85 2HG GLU 85 6.445 1.897 -11.006
149 HG3 GLU 85 1HG GLU 85 6.504 3.622 -11.379
150 H TRP 86 H TRP 86 8.728 2.268 -7.489
151 HA TRP 86 HA TRP 86 11.014 3.685 -6.804
152 HB2 TRP 86 2HB TRP 86 9.054 3.648 -5.397
153 HB3 TRP 86 1HB TRP 86 9.185 1.913 -5.179
154 HD1 TRP 86 HD TRP 86 10.688 5.210 -3.941
155 HE1 TRP 86 1HE TRP 86 11.963 4.747 -1.765
156 HE3 TRP 86 3HE TRP 86 10.426 0.135 -3.948
157 HZ2 TRP 86 2HZ TRP 86 12.776 2.483 -0.243
158 HZ3 TRP 86 3HZ TRP 86 11.474 -1.112 -2.120
159 HH2 TRP 86 HH TRP 86 12.626 0.039 -0.298
160 H ALA 87 H ALA 87 10.354 0.224 -6.609
161 HA ALA 87 HA ALA 87 12.738 -0.654 -5.506
162 HB1 ALA 87 1HB ALA 87 12.168 -2.839 -6.517
163 HB2 ALA 87 2HB ALA 87 10.974 -2.031 -7.526
164 HB3 ALA 87 3HB ALA 87 10.764 -2.064 -5.781
165 H ARG 88 H ARG 88 11.837 -0.308 -8.920
166 HA ARG 88 HA ARG 88 14.258 -1.087 -10.107
167 HB2 ARG 88 2HB ARG 88 12.093 0.797 -11.053
168 HB3 ARG 88 1HB ARG 88 13.441 0.300 -12.059
169 HG2 ARG 88 2HG ARG 88 11.589 -1.695 -10.794
170 HG3 ARG 88 1HG ARG 88 11.233 -0.939 -12.345
171 HD2 ARG 88 2HD ARG 88 13.749 -2.485 -11.722
172 HD3 ARG 88 1HD ARG 88 12.343 -3.141 -12.565
173 HE ARG 88 HE ARG 88 13.232 -0.748 -13.787
174 HH11 ARG 88 1HH1 ARG 88 14.049 -4.190 -13.600
175 HH12 ARG 88 2HH1 ARG 88 14.801 -4.218 -15.119
176 HH21 ARG 88 1HH2 ARG 88 14.177 -0.784 -15.810
177 HH22 ARG 88 2HH2 ARG 88 14.856 -2.218 -16.474
178 H ARG 89 H ARG 89 13.128 2.067 -9.040
179 HA ARG 89 HA ARG 89 15.292 3.601 -10.017
180 HB2 ARG 89 2HB ARG 89 13.450 4.163 -7.691
181 HB3 ARG 89 1HB ARG 89 14.514 5.345 -8.439
182 HG2 ARG 89 2HG ARG 89 13.286 5.207 -10.509
183 HG3 ARG 89 1HG ARG 89 12.300 3.892 -9.873
184 HD2 ARG 89 2HD ARG 89 11.526 5.460 -8.083
185 HD3 ARG 89 1HD ARG 89 12.366 6.749 -8.946
186 HE ARG 89 HE ARG 89 10.768 5.601 -10.824
187 HH11 ARG 89 1HH1 ARG 89 10.231 7.185 -7.691
188 HH12 ARG 89 2HH1 ARG 89 8.633 7.626 -7.989
189 HH21 ARG 89 1HH2 ARG 89 8.539 6.198 -11.282
190 HH22 ARG 89 2HH2 ARG 89 7.617 7.009 -10.119
191 H ASN 90 H ASN 90 14.781 1.926 -6.972
192 HA ASN 90 HA ASN 90 17.264 2.835 -5.816
193 HB2 ASN 90 2HB ASN 90 15.241 0.783 -5.002
194 HB3 ASN 90 1HB ASN 90 16.808 0.837 -4.208
195 HD21 ASN 90 1HD2 ASN 90 13.785 2.393 -4.657
196 HD22 ASN 90 2HD2 ASN 90 13.984 3.563 -3.400
197 H GLY 91 H GLY 91 16.226 0.179 -7.711
198 HA2 GLY 91 2HA GLY 91 17.797 -0.925 -9.131
199 HA3 GLY 91 1HA GLY 91 19.018 -0.691 -7.880
200 H HIS 92 H HIS 92 15.798 -1.757 -7.137
201 HA HIS 92 HA HIS 92 16.876 -4.245 -6.106
202 HB2 HIS 92 2HB HIS 92 14.011 -3.266 -6.063
203 HB3 HIS 92 1HB HIS 92 14.660 -4.609 -5.139
204 HD1 HIS 92 1HD HIS 92 17.232 -2.832 -4.114
205 HD2 HIS 92 2HD HIS 92 13.198 -1.871 -3.855
206 HE1 HIS 92 1HE HIS 92 17.011 -1.083 -2.288
207 H ASN 93 H ASN 93 16.059 -6.245 -6.770
208 HA ASN 93 HA ASN 93 15.278 -6.210 -9.570
209 HB2 ASN 93 2HB ASN 93 16.829 -8.222 -7.948
210 HB3 ASN 93 1HB ASN 93 16.153 -8.625 -9.522
211 HD21 ASN 93 1HD2 ASN 93 18.302 -8.971 -10.292
212 HD22 ASN 93 2HD2 ASN 93 19.302 -7.617 -10.693
213 H VAL 94 H VAL 94 13.159 -6.110 -9.491
214 HA VAL 94 HA VAL 94 11.723 -8.236 -8.078
215 HB VAL 94 HB VAL 94 10.628 -5.697 -9.358
216 HG11 VAL 94 1HG1 VAL 94 9.246 -7.720 -7.589
217 HG12 VAL 94 2HG1 VAL 94 8.993 -7.522 -9.321
218 HG13 VAL 94 3HG1 VAL 94 8.528 -6.236 -8.209
219 HG21 VAL 94 1HG2 VAL 94 10.262 -4.903 -7.056
220 HG22 VAL 94 2HG2 VAL 94 11.973 -5.172 -7.400
221 HG23 VAL 94 3HG2 VAL 94 11.068 -6.348 -6.445
222 H SER 95 H SER 95 10.908 -9.845 -9.266
223 HA SER 95 HA SER 95 11.570 -10.043 -11.998
224 HB2 SER 95 2HB SER 95 9.779 -11.789 -10.298
225 HB3 SER 95 1HB SER 95 10.569 -12.247 -11.808
226 HG SER 95 HG SER 95 12.487 -11.334 -10.338
227 H THR 96 H THR 96 10.419 -9.470 -13.705
228 HA THR 96 HA THR 96 8.048 -8.018 -13.568
229 HB THR 96 HB THR 96 7.921 -8.482 -16.103
230 HG1 THR 96 1HG THR 96 9.880 -10.238 -15.365
231 HG21 THR 96 1HG2 THR 96 9.857 -7.014 -16.547
232 HG22 THR 96 2HG2 THR 96 10.430 -7.296 -14.903
233 HG23 THR 96 3HG2 THR 96 8.907 -6.450 -15.173
234 H ARG 97 H ARG 97 8.541 -11.445 -14.084
235 HA ARG 97 HA ARG 97 5.646 -11.825 -13.986
236 HB2 ARG 97 2HB ARG 97 7.775 -13.851 -14.737
237 HB3 ARG 97 1HB ARG 97 6.035 -14.059 -14.873
238 HG2 ARG 97 2HG ARG 97 5.992 -12.321 -16.610
239 HG3 ARG 97 1HG ARG 97 7.745 -12.172 -16.485
240 HD2 ARG 97 2HD ARG 97 7.345 -13.602 -18.327
241 HD3 ARG 97 1HD ARG 97 7.858 -14.645 -17.012
242 HE ARG 97 HE ARG 97 5.032 -14.250 -17.724
243 HH11 ARG 97 1HH1 ARG 97 7.638 -16.453 -16.787
244 HH12 ARG 97 2HH1 ARG 97 6.707 -17.862 -16.988
245 HH21 ARG 97 1HH2 ARG 97 3.789 -16.155 -18.048
246 HH22 ARG 97 2HH2 ARG 97 4.462 -17.697 -17.748
247 H GLY 98 H GLY 98 5.509 -11.543 -11.792
248 HA2 GLY 98 2HA GLY 98 5.767 -13.641 -10.104
249 HA3 GLY 98 1HA GLY 98 7.295 -12.771 -9.964
250 H ARG 99 H ARG 99 6.329 -12.584 -7.748
251 HA ARG 99 HA ARG 99 4.286 -10.504 -7.544
252 HB2 ARG 99 2HB ARG 99 5.610 -12.200 -5.424
253 HB3 ARG 99 1HB ARG 99 4.324 -11.042 -5.139
254 HG2 ARG 99 2HG ARG 99 2.825 -12.383 -6.533
255 HG3 ARG 99 1HG ARG 99 4.120 -13.543 -6.793
256 HD2 ARG 99 2HD ARG 99 4.255 -13.983 -4.410
257 HD3 ARG 99 1HD ARG 99 2.999 -12.788 -4.101
258 HE ARG 99 HE ARG 99 1.758 -14.445 -5.761
259 HH11 ARG 99 1HH1 ARG 99 3.748 -15.146 -2.905
260 HH12 ARG 99 2HH1 ARG 99 2.845 -16.503 -2.429
261 HH21 ARG 99 1HH2 ARG 99 0.548 -16.349 -5.132
262 HH22 ARG 99 2HH2 ARG 99 0.973 -17.218 -3.734
263 H ILE 100 H ILE 100 4.824 -9.049 -5.507
264 HA ILE 100 HA ILE 100 7.504 -7.988 -5.917
265 HB ILE 100 HB ILE 100 5.183 -6.826 -4.344
266 HG12 ILE 100 2HG1 ILE 100 6.151 -6.044 -7.103
267 HG13 ILE 100 1HG1 ILE 100 4.690 -6.966 -6.778
268 HG21 ILE 100 1HG2 ILE 100 7.788 -5.585 -5.244
269 HG22 ILE 100 2HG2 ILE 100 7.373 -6.084 -3.607
270 HG23 ILE 100 3HG2 ILE 100 6.493 -4.752 -4.371
271 HD11 ILE 100 1HD1 ILE 100 3.770 -5.063 -5.548
272 HD12 ILE 100 2HD1 ILE 100 4.180 -4.638 -7.209
273 HD13 ILE 100 3HD1 ILE 100 5.237 -4.143 -5.885
274 HA PRO 101 HA PRO 101 8.667 -9.974 -1.980
275 HB2 PRO 101 2HB PRO 101 10.507 -7.650 -1.952
276 HB3 PRO 101 1HB PRO 101 10.885 -9.373 -1.745
277 HG2 PRO 101 2HG PRO 101 11.532 -8.150 -3.981
278 HG3 PRO 101 1HG PRO 101 10.888 -9.808 -3.994
279 HD2 PRO 101 2HD PRO 101 9.534 -7.267 -4.731
280 HD3 PRO 101 1HD PRO 101 9.370 -8.892 -5.430
281 H ALA 102 H ALA 102 7.634 -9.696 -0.232
282 HA ALA 102 HA ALA 102 6.138 -7.439 0.490
283 HB1 ALA 102 1HB ALA 102 7.166 -9.653 2.277
284 HB2 ALA 102 2HB ALA 102 5.673 -9.702 1.340
285 HB3 ALA 102 3HB ALA 102 5.844 -8.545 2.659
286 H ASP 103 H ASP 103 9.359 -8.452 1.193
287 HA ASP 103 HA ASP 103 10.176 -6.581 3.095
288 HB2 ASP 103 2HB ASP 103 11.579 -8.453 2.455
289 HB3 ASP 103 1HB ASP 103 11.693 -7.850 0.808
290 H VAL 104 H VAL 104 10.064 -6.412 -0.428
291 HA VAL 104 HA VAL 104 11.161 -3.794 -0.614
292 HB VAL 104 HB VAL 104 9.577 -5.474 -2.588
293 HG11 VAL 104 1HG1 VAL 104 9.050 -3.144 -3.053
294 HG12 VAL 104 2HG1 VAL 104 10.090 -3.801 -4.317
295 HG13 VAL 104 3HG1 VAL 104 10.767 -2.736 -3.080
296 HG21 VAL 104 1HG2 VAL 104 12.433 -4.531 -2.576
297 HG22 VAL 104 2HG2 VAL 104 11.692 -5.598 -3.773
298 HG23 VAL 104 3HG2 VAL 104 11.888 -6.137 -2.103
299 H ILE 105 H ILE 105 7.882 -5.040 -0.551
300 HA ILE 105 HA ILE 105 6.530 -2.593 -0.905
301 HB ILE 105 HB ILE 105 5.617 -5.053 0.618
302 HG12 ILE 105 2HG1 ILE 105 5.140 -4.212 -2.249
303 HG13 ILE 105 1HG1 ILE 105 6.254 -5.465 -1.735
304 HG21 ILE 105 1HG2 ILE 105 3.324 -4.221 0.199
305 HG22 ILE 105 2HG2 ILE 105 3.994 -2.742 -0.486
306 HG23 ILE 105 3HG2 ILE 105 4.256 -3.123 1.213
307 HD11 ILE 105 1HD1 ILE 105 4.378 -6.784 -0.881
308 HD12 ILE 105 2HD1 ILE 105 4.169 -6.404 -2.592
309 HD13 ILE 105 3HD1 ILE 105 3.262 -5.511 -1.373
310 H ASP 106 H ASP 106 7.580 -4.278 2.013
311 HA ASP 106 HA ASP 106 6.528 -2.392 3.862
312 HB2 ASP 106 2HB ASP 106 6.994 -4.589 4.663
313 HB3 ASP 106 1HB ASP 106 8.640 -4.538 4.053
314 H ALA 107 H ALA 107 9.665 -2.789 2.328
315 HA ALA 107 HA ALA 107 10.969 -0.679 3.643
316 HB1 ALA 107 1HB ALA 107 11.405 -1.731 0.854
317 HB2 ALA 107 2HB ALA 107 12.121 -2.393 2.316
318 HB3 ALA 107 3HB ALA 107 12.559 -0.761 1.782
319 H TYR 108 H TYR 108 9.080 -0.806 0.666
320 HA TYR 108 HA TYR 108 9.323 1.836 -0.175
321 HB2 TYR 108 2HB TYR 108 8.379 0.163 -1.629
322 HB3 TYR 108 1HB TYR 108 7.067 -0.160 -0.510
323 HD1 TYR 108 1HD TYR 108 8.412 2.233 -2.953
324 HD2 TYR 108 2HD TYR 108 5.097 1.229 -0.506
325 HE1 TYR 108 1HE TYR 108 7.050 3.867 -4.151
326 HE2 TYR 108 2HE TYR 108 3.708 2.859 -1.689
327 HH TYR 108 HH TYR 108 4.114 4.954 -2.965
328 H HIS 109 H HIS 109 7.045 0.362 2.052
329 HA HIS 109 HA HIS 109 5.625 2.795 2.500
330 HB2 HIS 109 2HB HIS 109 5.482 0.066 3.696
331 HB3 HIS 109 1HB HIS 109 4.624 1.371 4.486
332 HD1 HIS 109 1HD HIS 109 2.360 2.064 3.411
333 HD2 HIS 109 2HD HIS 109 4.577 -0.568 1.068
334 HE1 HIS 109 1HE HIS 109 0.842 1.334 1.530
335 H ALA 110 H ALA 110 8.241 1.179 4.161
336 HA ALA 110 HA ALA 110 8.148 2.946 6.419
337 HB1 ALA 110 1HB ALA 110 10.243 1.888 7.090
338 HB2 ALA 110 2HB ALA 110 10.378 1.119 5.508
339 HB3 ALA 110 3HB ALA 110 9.065 0.673 6.598
340 H ALA 111 H ALA 111 9.522 3.050 3.299
341 HA ALA 111 HA ALA 111 11.463 5.079 3.877
342 HB1 ALA 111 1HB ALA 111 10.412 4.076 1.236
343 HB2 ALA 111 2HB ALA 111 11.851 3.488 2.073
344 HB3 ALA 111 3HB ALA 111 11.796 5.141 1.463
345 H ASP 112 H ASP 112 11.024 7.121 4.091
346 HA ASP 112 HA ASP 112 8.983 8.385 2.466
347 HB2 ASP 112 2HB ASP 112 7.930 7.829 4.718
348 HB3 ASP 112 1HB ASP 112 9.164 8.831 5.468
Start of MODEL 16
1 H MET 65 1HT MET 65 8.092 -17.832 -15.540
2 HA MET 65 HA MET 65 5.554 -18.646 -14.286
3 HB2 MET 65 2HB MET 65 5.160 -16.304 -13.659
4 HB3 MET 65 1HB MET 65 6.617 -16.920 -12.899
5 HG2 MET 65 2HG MET 65 7.985 -15.709 -14.493
6 HG3 MET 65 1HG MET 65 6.545 -15.157 -15.347
7 HE1 MET 65 1HE MET 65 7.711 -13.829 -11.063
8 HE2 MET 65 2HE MET 65 8.663 -14.943 -12.045
9 HE3 MET 65 3HE MET 65 7.092 -15.442 -11.417
10 H SER 66 H SER 66 6.837 -18.539 -17.182
11 HA SER 66 HA SER 66 4.760 -16.957 -18.438
12 HB2 SER 66 2HB SER 66 7.121 -18.448 -19.634
13 HB3 SER 66 1HB SER 66 6.054 -17.337 -20.489
14 HG SER 66 HG SER 66 6.750 -15.721 -18.984
15 H GLY 67 H GLY 67 3.175 -17.973 -19.704
16 HA2 GLY 67 2HA GLY 67 3.271 -20.877 -19.927
17 HA3 GLY 67 1HA GLY 67 1.895 -20.150 -19.104
18 H SER 68 H SER 68 1.150 -21.546 -21.152
19 HA SER 68 HA SER 68 1.102 -19.873 -23.506
20 HB2 SER 68 2HB SER 68 -0.186 -22.568 -23.012
21 HB3 SER 68 1HB SER 68 -0.030 -21.757 -24.572
22 HG SER 68 HG SER 68 2.188 -22.346 -22.948
23 H GLY 69 H GLY 69 -0.040 -18.125 -22.659
24 HA2 GLY 69 2HA GLY 69 -2.748 -18.101 -23.136
25 HA3 GLY 69 1HA GLY 69 -2.517 -18.338 -21.405
26 H ARG 70 H ARG 70 -3.720 -16.087 -22.011
27 HA ARG 70 HA ARG 70 -1.599 -14.080 -22.107
28 HB2 ARG 70 2HB ARG 70 -4.555 -13.738 -22.570
29 HB3 ARG 70 1HB ARG 70 -3.357 -12.454 -22.662
30 HG2 ARG 70 2HG ARG 70 -2.257 -13.665 -24.495
31 HG3 ARG 70 1HG ARG 70 -3.532 -14.877 -24.424
32 HD2 ARG 70 2HD ARG 70 -5.185 -13.111 -24.890
33 HD3 ARG 70 1HD ARG 70 -3.867 -11.950 -25.057
34 HE ARG 70 HE ARG 70 -4.570 -14.106 -26.850
35 HH11 ARG 70 1HH1 ARG 70 -2.282 -11.480 -26.074
36 HH12 ARG 70 2HH1 ARG 70 -1.597 -11.448 -27.629
37 HH21 ARG 70 1HH2 ARG 70 -3.595 -14.051 -28.965
38 HH22 ARG 70 2HH2 ARG 70 -2.331 -12.951 -29.301
39 H GLY 71 H GLY 71 -0.959 -14.133 -20.014
40 HA2 GLY 71 2HA GLY 71 -2.889 -13.836 -17.890
41 HA3 GLY 71 1HA GLY 71 -1.134 -13.822 -17.722
42 H ARG 72 H ARG 72 -0.517 -11.924 -19.576
43 HA ARG 72 HA ARG 72 -0.199 -9.749 -20.004
44 HB2 ARG 72 2HB ARG 72 -2.880 -9.262 -18.699
45 HB3 ARG 72 1HB ARG 72 -1.977 -8.090 -19.646
46 HG2 ARG 72 2HG ARG 72 -2.211 -9.515 -21.621
47 HG3 ARG 72 1HG ARG 72 -3.120 -10.686 -20.666
48 HD2 ARG 72 2HD ARG 72 -3.893 -7.829 -21.224
49 HD3 ARG 72 1HD ARG 72 -4.620 -9.265 -21.941
50 HE ARG 72 HE ARG 72 -4.782 -9.403 -19.135
51 HH11 ARG 72 1HH1 ARG 72 -6.209 -7.684 -21.857
52 HH12 ARG 72 2HH1 ARG 72 -7.704 -7.398 -21.091
53 HH21 ARG 72 1HH2 ARG 72 -6.801 -9.017 -18.067
54 HH22 ARG 72 2HH2 ARG 72 -8.044 -8.181 -18.857
55 H GLY 73 H GLY 73 -1.507 -10.230 -16.811
56 HA2 GLY 73 2HA GLY 73 0.644 -9.670 -15.316
57 HA3 GLY 73 1HA GLY 73 -0.040 -8.078 -15.664
58 H ALA 74 H ALA 74 0.037 -9.131 -13.057
59 HA ALA 74 HA ALA 74 -2.779 -9.655 -12.656
60 HB1 ALA 74 1HB ALA 74 -2.143 -10.885 -10.628
61 HB2 ALA 74 2HB ALA 74 -0.440 -10.616 -10.999
62 HB3 ALA 74 3HB ALA 74 -1.428 -11.608 -12.069
63 H ILE 75 H ILE 75 -3.774 -8.126 -11.543
64 HA ILE 75 HA ILE 75 -2.180 -6.035 -10.431
65 HB ILE 75 HB ILE 75 -5.193 -6.319 -10.530
66 HG12 ILE 75 2HG1 ILE 75 -5.007 -4.353 -12.148
67 HG13 ILE 75 1HG1 ILE 75 -3.300 -4.722 -12.262
68 HG21 ILE 75 1HG2 ILE 75 -4.569 -4.949 -8.656
69 HG22 ILE 75 2HG2 ILE 75 -5.289 -3.930 -9.906
70 HG23 ILE 75 3HG2 ILE 75 -3.538 -3.951 -9.681
71 HD11 ILE 75 1HD1 ILE 75 -4.495 -5.655 -14.150
72 HD12 ILE 75 2HD1 ILE 75 -5.582 -6.526 -13.067
73 HD13 ILE 75 3HD1 ILE 75 -3.875 -6.962 -13.142
74 H ASP 76 H ASP 76 -1.641 -6.038 -8.475
75 HA ASP 76 HA ASP 76 -3.055 -7.747 -6.528
76 HB2 ASP 76 2HB ASP 76 -0.807 -8.639 -7.120
77 HB3 ASP 76 1HB ASP 76 -0.098 -7.131 -6.538
78 H ARG 77 H ARG 77 -3.637 -6.843 -4.689
79 HA ARG 77 HA ARG 77 -4.140 -5.348 -3.158
80 HB2 ARG 77 2HB ARG 77 -1.752 -5.451 -2.579
81 HB3 ARG 77 1HB ARG 77 -1.394 -4.197 -3.750
82 HG2 ARG 77 2HG ARG 77 -2.670 -2.594 -2.448
83 HG3 ARG 77 1HG ARG 77 -3.111 -3.858 -1.300
84 HD2 ARG 77 2HD ARG 77 -0.774 -4.176 -0.720
85 HD3 ARG 77 1HD ARG 77 -0.295 -2.958 -1.899
86 HE ARG 77 HE ARG 77 -1.963 -1.577 -0.403
87 HH11 ARG 77 1HH1 ARG 77 0.653 -3.748 0.581
88 HH12 ARG 77 2HH1 ARG 77 1.047 -2.925 2.000
89 HH21 ARG 77 1HH2 ARG 77 -1.436 -0.394 1.555
90 HH22 ARG 77 2HH2 ARG 77 -0.193 -0.956 2.583
91 H GLU 78 H GLU 78 -2.333 -3.074 -5.151
92 HA GLU 78 HA GLU 78 -4.526 -2.062 -6.535
93 HB2 GLU 78 2HB GLU 78 -5.223 -1.179 -4.338
94 HB3 GLU 78 1HB GLU 78 -3.675 -0.375 -4.159
95 HG2 GLU 78 2HG GLU 78 -4.162 1.068 -6.025
96 HG3 GLU 78 1HG GLU 78 -5.657 0.199 -6.337
97 H GLN 79 H GLN 79 -1.685 -0.543 -4.957
98 HA GLN 79 HA GLN 79 -0.764 0.077 -7.658
99 HB2 GLN 79 2HB GLN 79 -0.126 1.462 -5.075
100 HB3 GLN 79 1HB GLN 79 0.598 1.833 -6.637
101 HG2 GLN 79 2HG GLN 79 -1.574 2.472 -7.522
102 HG3 GLN 79 1HG GLN 79 -2.333 2.050 -5.986
103 HE21 GLN 79 1HE2 GLN 79 -0.298 4.337 -7.642
104 HE22 GLN 79 2HE2 GLN 79 -0.430 5.566 -6.432
105 H SER 80 H SER 80 -0.105 -2.184 -7.487
106 HA SER 80 HA SER 80 2.216 -2.772 -5.923
107 HB2 SER 80 2HB SER 80 2.038 -4.888 -7.514
108 HB3 SER 80 1HB SER 80 0.938 -4.659 -6.151
109 HG SER 80 HG SER 80 -0.603 -4.488 -7.435
110 H ALA 81 H ALA 81 1.540 -1.620 -9.111
111 HA ALA 81 HA ALA 81 4.085 -2.336 -10.198
112 HB1 ALA 81 1HB ALA 81 2.097 -0.303 -11.236
113 HB2 ALA 81 2HB ALA 81 2.121 -2.013 -11.652
114 HB3 ALA 81 3HB ALA 81 3.465 -0.974 -12.121
115 H ALA 82 H ALA 82 2.752 0.372 -8.500
116 HA ALA 82 HA ALA 82 4.816 2.239 -8.936
117 HB1 ALA 82 1HB ALA 82 3.971 3.342 -6.906
118 HB2 ALA 82 2HB ALA 82 2.999 1.918 -6.541
119 HB3 ALA 82 3HB ALA 82 2.654 2.877 -7.979
120 H ILE 83 H ILE 83 4.309 -0.276 -6.559
121 HA ILE 83 HA ILE 83 6.587 0.206 -4.981
122 HB ILE 83 HB ILE 83 5.150 -2.436 -5.460
123 HG12 ILE 83 2HG1 ILE 83 4.723 -0.352 -3.298
124 HG13 ILE 83 1HG1 ILE 83 3.662 -0.608 -4.672
125 HG21 ILE 83 1HG2 ILE 83 6.946 -1.556 -3.187
126 HG22 ILE 83 2HG2 ILE 83 7.355 -2.734 -4.436
127 HG23 ILE 83 3HG2 ILE 83 6.077 -3.090 -3.274
128 HD11 ILE 83 1HD1 ILE 83 2.772 -1.599 -2.638
129 HD12 ILE 83 2HD1 ILE 83 4.224 -2.591 -2.479
130 HD13 ILE 83 3HD1 ILE 83 3.131 -2.841 -3.841
131 H ARG 84 H ARG 84 5.998 -1.854 -7.776
132 HA ARG 84 HA ARG 84 8.567 -3.001 -7.947
133 HB2 ARG 84 2HB ARG 84 6.498 -2.521 -10.096
134 HB3 ARG 84 1HB ARG 84 7.999 -3.392 -10.379
135 HG2 ARG 84 2HG ARG 84 7.344 -5.089 -8.768
136 HG3 ARG 84 1HG ARG 84 5.858 -4.199 -8.422
137 HD2 ARG 84 2HD ARG 84 5.098 -4.510 -10.695
138 HD3 ARG 84 1HD ARG 84 6.615 -5.298 -11.129
139 HE ARG 84 HE ARG 84 5.943 -7.017 -9.423
140 HH11 ARG 84 1HH1 ARG 84 3.558 -5.276 -11.368
141 HH12 ARG 84 2HH1 ARG 84 2.326 -6.454 -11.160
142 HH21 ARG 84 1HH2 ARG 84 4.278 -8.651 -9.232
143 HH22 ARG 84 2HH2 ARG 84 2.752 -8.436 -9.926
144 H GLU 85 H GLU 85 7.233 -0.131 -9.506
145 HA GLU 85 HA GLU 85 9.526 0.574 -10.962
146 HB2 GLU 85 2HB GLU 85 7.254 2.254 -9.925
147 HB3 GLU 85 1HB GLU 85 8.544 2.914 -10.916
148 HG2 GLU 85 2HG GLU 85 6.636 0.725 -11.718
149 HG3 GLU 85 1HG GLU 85 6.581 2.408 -12.247
150 H TRP 86 H TRP 86 8.470 1.553 -7.741
151 HA TRP 86 HA TRP 86 10.606 3.234 -7.096
152 HB2 TRP 86 2HB TRP 86 8.621 3.119 -5.705
153 HB3 TRP 86 1HB TRP 86 8.902 1.418 -5.373
154 HD1 TRP 86 HD TRP 86 10.111 4.900 -4.375
155 HE1 TRP 86 1HE TRP 86 11.434 4.726 -2.179
156 HE3 TRP 86 3HE TRP 86 10.260 -0.153 -3.991
157 HZ2 TRP 86 2HZ TRP 86 12.432 2.634 -0.491
158 HZ3 TRP 86 3HZ TRP 86 11.415 -1.178 -2.070
159 HH2 TRP 86 HH TRP 86 12.472 0.197 -0.362
160 H ALA 87 H ALA 87 10.198 -0.231 -6.714
161 HA ALA 87 HA ALA 87 12.620 -0.847 -5.466
162 HB1 ALA 87 1HB ALA 87 10.756 -2.384 -5.557
163 HB2 ALA 87 2HB ALA 87 12.171 -3.149 -6.304
164 HB3 ALA 87 3HB ALA 87 10.887 -2.463 -7.304
165 H ARG 88 H ARG 88 11.748 -0.722 -8.878
166 HA ARG 88 HA ARG 88 14.244 -1.541 -9.955
167 HB2 ARG 88 2HB ARG 88 12.023 0.139 -11.124
168 HB3 ARG 88 1HB ARG 88 13.363 -0.514 -12.059
169 HG2 ARG 88 2HG ARG 88 11.850 -2.467 -10.459
170 HG3 ARG 88 1HG ARG 88 10.970 -1.710 -11.784
171 HD2 ARG 88 2HD ARG 88 13.682 -2.935 -12.169
172 HD3 ARG 88 1HD ARG 88 12.200 -3.889 -12.273
173 HE ARG 88 HE ARG 88 12.050 -1.555 -13.879
174 HH11 ARG 88 1HH1 ARG 88 13.487 -4.784 -13.858
175 HH12 ARG 88 2HH1 ARG 88 13.477 -4.959 -15.544
176 HH21 ARG 88 1HH2 ARG 88 11.958 -1.809 -16.177
177 HH22 ARG 88 2HH2 ARG 88 12.580 -3.218 -16.926
178 H ARG 89 H ARG 89 12.871 1.569 -9.115
179 HA ARG 89 HA ARG 89 14.857 3.239 -10.169
180 HB2 ARG 89 2HB ARG 89 12.562 3.908 -9.432
181 HB3 ARG 89 1HB ARG 89 13.091 3.738 -7.773
182 HG2 ARG 89 2HG ARG 89 14.671 5.552 -8.064
183 HG3 ARG 89 1HG ARG 89 14.228 5.692 -9.768
184 HD2 ARG 89 2HD ARG 89 11.886 6.127 -9.054
185 HD3 ARG 89 1HD ARG 89 12.439 6.143 -7.384
186 HE ARG 89 HE ARG 89 13.986 7.962 -8.786
187 HH11 ARG 89 1HH1 ARG 89 10.583 7.568 -7.861
188 HH12 ARG 89 2HH1 ARG 89 10.225 9.229 -7.915
189 HH21 ARG 89 1HH2 ARG 89 13.501 10.252 -8.831
190 HH22 ARG 89 2HH2 ARG 89 11.942 10.811 -8.441
191 H ASN 90 H ASN 90 14.509 1.664 -7.072
192 HA ASN 90 HA ASN 90 16.956 2.771 -6.004
193 HB2 ASN 90 2HB ASN 90 15.095 0.616 -5.034
194 HB3 ASN 90 1HB ASN 90 16.614 0.921 -4.217
195 HD21 ASN 90 1HD2 ASN 90 13.444 2.098 -4.898
196 HD22 ASN 90 2HD2 ASN 90 13.438 3.359 -3.735
197 H GLY 91 H GLY 91 15.953 -0.321 -7.325
198 HA2 GLY 91 2HA GLY 91 17.496 -1.414 -8.828
199 HA3 GLY 91 1HA GLY 91 18.801 -0.961 -7.737
200 H HIS 92 H HIS 92 15.672 -2.182 -6.769
201 HA HIS 92 HA HIS 92 16.977 -4.357 -5.360
202 HB2 HIS 92 2HB HIS 92 14.022 -3.690 -5.501
203 HB3 HIS 92 1HB HIS 92 14.773 -4.820 -4.396
204 HD1 HIS 92 1HD HIS 92 17.121 -2.797 -3.457
205 HD2 HIS 92 2HD HIS 92 13.054 -1.978 -3.668
206 HE1 HIS 92 1HE HIS 92 16.701 -0.841 -1.920
207 H ASN 93 H ASN 93 15.971 -6.546 -5.565
208 HA ASN 93 HA ASN 93 15.695 -7.126 -8.376
209 HB2 ASN 93 2HB ASN 93 16.175 -8.930 -6.007
210 HB3 ASN 93 1HB ASN 93 15.839 -9.544 -7.618
211 HD21 ASN 93 1HD2 ASN 93 18.159 -7.960 -5.582
212 HD22 ASN 93 2HD2 ASN 93 19.476 -8.078 -6.694
213 H VAL 94 H VAL 94 13.718 -6.503 -8.872
214 HA VAL 94 HA VAL 94 11.543 -8.193 -7.918
215 HB VAL 94 HB VAL 94 11.261 -5.185 -8.276
216 HG11 VAL 94 1HG1 VAL 94 9.000 -5.499 -7.374
217 HG12 VAL 94 2HG1 VAL 94 9.272 -7.242 -7.338
218 HG13 VAL 94 3HG1 VAL 94 9.250 -6.387 -8.879
219 HG21 VAL 94 1HG2 VAL 94 12.472 -5.619 -6.219
220 HG22 VAL 94 2HG2 VAL 94 11.260 -6.799 -5.729
221 HG23 VAL 94 3HG2 VAL 94 10.829 -5.088 -5.845
222 H SER 95 H SER 95 10.919 -9.186 -9.681
223 HA SER 95 HA SER 95 11.549 -8.212 -12.282
224 HB2 SER 95 2HB SER 95 9.884 -10.594 -11.463
225 HB3 SER 95 1HB SER 95 10.609 -10.303 -13.045
226 HG SER 95 HG SER 95 11.865 -10.860 -10.589
227 H THR 96 H THR 96 10.157 -7.467 -13.863
228 HA THR 96 HA THR 96 7.847 -6.120 -13.111
229 HB THR 96 HB THR 96 7.747 -6.159 -15.773
230 HG1 THR 96 1HG THR 96 9.888 -6.560 -16.557
231 HG21 THR 96 1HG2 THR 96 9.374 -4.294 -15.764
232 HG22 THR 96 2HG2 THR 96 9.924 -4.790 -14.164
233 HG23 THR 96 3HG2 THR 96 8.276 -4.195 -14.387
234 H ARG 97 H ARG 97 5.811 -6.802 -13.038
235 HA ARG 97 HA ARG 97 3.968 -8.062 -13.035
236 HB2 ARG 97 2HB ARG 97 5.222 -9.482 -15.404
237 HB3 ARG 97 1HB ARG 97 3.596 -9.789 -14.834
238 HG2 ARG 97 2HG ARG 97 4.647 -7.218 -16.008
239 HG3 ARG 97 1HG ARG 97 3.537 -8.352 -16.772
240 HD2 ARG 97 2HD ARG 97 1.952 -7.922 -14.861
241 HD3 ARG 97 1HD ARG 97 3.016 -6.618 -14.361
242 HE ARG 97 HE ARG 97 1.761 -6.687 -17.019
243 HH11 ARG 97 1HH1 ARG 97 2.610 -4.831 -14.113
244 HH12 ARG 97 2HH1 ARG 97 1.724 -3.444 -14.584
245 HH21 ARG 97 1HH2 ARG 97 0.524 -4.755 -17.592
246 HH22 ARG 97 2HH2 ARG 97 0.526 -3.405 -16.548
247 H GLY 98 H GLY 98 6.728 -9.059 -11.872
248 HA2 GLY 98 2HA GLY 98 5.860 -11.810 -11.329
249 HA3 GLY 98 1HA GLY 98 7.513 -11.223 -11.211
250 H ARG 99 H ARG 99 7.146 -12.426 -9.149
251 HA ARG 99 HA ARG 99 5.530 -11.556 -7.058
252 HB2 ARG 99 2HB ARG 99 6.583 -13.715 -7.049
253 HB3 ARG 99 1HB ARG 99 8.177 -12.998 -7.092
254 HG2 ARG 99 2HG ARG 99 7.681 -13.889 -4.891
255 HG3 ARG 99 1HG ARG 99 7.860 -12.139 -4.825
256 HD2 ARG 99 2HD ARG 99 5.986 -12.918 -3.465
257 HD3 ARG 99 1HD ARG 99 5.445 -11.872 -4.775
258 HE ARG 99 HE ARG 99 5.326 -14.563 -5.575
259 HH11 ARG 99 1HH1 ARG 99 3.693 -12.334 -3.370
260 HH12 ARG 99 2HH1 ARG 99 2.169 -13.085 -3.494
261 HH21 ARG 99 1HH2 ARG 99 3.249 -15.639 -5.725
262 HH22 ARG 99 2HH2 ARG 99 1.918 -15.027 -4.858
263 H ILE 100 H ILE 100 5.629 -9.878 -5.693
264 HA ILE 100 HA ILE 100 8.019 -8.209 -5.719
265 HB ILE 100 HB ILE 100 5.304 -7.642 -4.491
266 HG12 ILE 100 2HG1 ILE 100 6.443 -6.610 -7.102
267 HG13 ILE 100 1HG1 ILE 100 5.195 -7.841 -6.969
268 HG21 ILE 100 1HG2 ILE 100 7.664 -5.834 -5.036
269 HG22 ILE 100 2HG2 ILE 100 7.157 -6.452 -3.466
270 HG23 ILE 100 3HG2 ILE 100 6.111 -5.336 -4.350
271 HD11 ILE 100 1HD1 ILE 100 4.257 -5.672 -7.497
272 HD12 ILE 100 2HD1 ILE 100 4.965 -4.994 -6.028
273 HD13 ILE 100 3HD1 ILE 100 3.708 -6.228 -5.916
274 HA PRO 101 HA PRO 101 8.985 -10.175 -1.722
275 HB2 PRO 101 2HB PRO 101 10.734 -7.785 -1.595
276 HB3 PRO 101 1HB PRO 101 11.163 -9.494 -1.382
277 HG2 PRO 101 2HG PRO 101 11.890 -8.252 -3.572
278 HG3 PRO 101 1HG PRO 101 11.280 -9.918 -3.630
279 HD2 PRO 101 2HD PRO 101 9.873 -7.394 -4.361
280 HD3 PRO 101 1HD PRO 101 9.847 -8.990 -5.152
281 H ALA 102 H ALA 102 7.866 -9.929 -0.034
282 HA ALA 102 HA ALA 102 6.205 -7.744 0.565
283 HB1 ALA 102 1HB ALA 102 5.783 -10.006 1.393
284 HB2 ALA 102 2HB ALA 102 5.829 -8.838 2.718
285 HB3 ALA 102 3HB ALA 102 7.210 -9.898 2.425
286 H ASP 103 H ASP 103 9.428 -8.576 1.553
287 HA ASP 103 HA ASP 103 9.767 -6.550 3.513
288 HB2 ASP 103 2HB ASP 103 11.818 -7.952 1.791
289 HB3 ASP 103 1HB ASP 103 12.237 -6.834 3.084
290 H VAL 104 H VAL 104 10.077 -6.624 0.041
291 HA VAL 104 HA VAL 104 11.257 -4.027 -0.155
292 HB VAL 104 HB VAL 104 9.976 -5.870 -2.179
293 HG11 VAL 104 1HG1 VAL 104 10.491 -4.224 -3.958
294 HG12 VAL 104 2HG1 VAL 104 10.902 -3.028 -2.721
295 HG13 VAL 104 3HG1 VAL 104 9.253 -3.651 -2.843
296 HG21 VAL 104 1HG2 VAL 104 12.714 -4.635 -1.942
297 HG22 VAL 104 2HG2 VAL 104 12.209 -5.793 -3.175
298 HG23 VAL 104 3HG2 VAL 104 12.280 -6.280 -1.480
299 H ILE 105 H ILE 105 7.993 -5.271 -0.262
300 HA ILE 105 HA ILE 105 6.643 -2.875 -0.834
301 HB ILE 105 HB ILE 105 5.728 -5.220 0.866
302 HG12 ILE 105 2HG1 ILE 105 5.279 -4.610 -2.057
303 HG13 ILE 105 1HG1 ILE 105 6.417 -5.786 -1.441
304 HG21 ILE 105 1HG2 ILE 105 4.331 -3.270 1.299
305 HG22 ILE 105 2HG2 ILE 105 3.430 -4.461 0.361
306 HG23 ILE 105 3HG2 ILE 105 4.086 -3.028 -0.429
307 HD11 ILE 105 1HD1 ILE 105 3.414 -5.891 -1.151
308 HD12 ILE 105 2HD1 ILE 105 4.536 -7.073 -0.490
309 HD13 ILE 105 3HD1 ILE 105 4.395 -6.871 -2.238
310 H ASP 106 H ASP 106 7.619 -4.313 2.226
311 HA ASP 106 HA ASP 106 6.564 -2.281 3.916
312 HB2 ASP 106 2HB ASP 106 7.094 -4.471 4.804
313 HB3 ASP 106 1HB ASP 106 8.780 -4.288 4.338
314 H ALA 107 H ALA 107 9.721 -2.796 2.477
315 HA ALA 107 HA ALA 107 10.999 -0.547 3.561
316 HB1 ALA 107 1HB ALA 107 12.182 -2.367 2.436
317 HB2 ALA 107 2HB ALA 107 12.587 -0.808 1.703
318 HB3 ALA 107 3HB ALA 107 11.445 -1.900 0.907
319 H TYR 108 H TYR 108 9.113 -0.975 0.616
320 HA TYR 108 HA TYR 108 9.303 1.548 -0.509
321 HB2 TYR 108 2HB TYR 108 8.293 -0.217 -1.749
322 HB3 TYR 108 1HB TYR 108 7.098 -0.514 -0.503
323 HD1 TYR 108 1HD TYR 108 8.092 1.797 -3.197
324 HD2 TYR 108 2HD TYR 108 5.033 0.664 -0.482
325 HE1 TYR 108 1HE TYR 108 6.509 3.201 -4.419
326 HE2 TYR 108 2HE TYR 108 3.427 2.070 -1.685
327 HH TYR 108 HH TYR 108 3.467 3.986 -3.100
328 H HIS 109 H HIS 109 7.075 0.326 1.895
329 HA HIS 109 HA HIS 109 5.680 2.765 2.159
330 HB2 HIS 109 2HB HIS 109 5.677 0.217 3.703
331 HB3 HIS 109 1HB HIS 109 4.806 1.587 4.352
332 HD1 HIS 109 1HD HIS 109 2.671 2.349 2.972
333 HD2 HIS 109 2HD HIS 109 4.607 -0.997 1.497
334 HE1 HIS 109 1HE HIS 109 1.087 1.296 1.292
335 H ALA 110 H ALA 110 8.314 1.311 3.957
336 HA ALA 110 HA ALA 110 8.331 3.253 6.048
337 HB1 ALA 110 1HB ALA 110 10.503 1.342 5.218
338 HB2 ALA 110 2HB ALA 110 9.192 0.974 6.336
339 HB3 ALA 110 3HB ALA 110 10.394 2.198 6.756
340 H ALA 111 H ALA 111 9.788 3.105 2.915
341 HA ALA 111 HA ALA 111 11.764 5.100 3.498
342 HB1 ALA 111 1HB ALA 111 12.213 3.358 1.843
343 HB2 ALA 111 2HB ALA 111 12.338 4.972 1.141
344 HB3 ALA 111 3HB ALA 111 10.911 3.985 0.833
345 H ASP 112 H ASP 112 11.487 7.139 3.472
346 HA ASP 112 HA ASP 112 9.158 8.341 2.136
347 HB2 ASP 112 2HB ASP 112 11.071 9.579 4.160
348 HB3 ASP 112 1HB ASP 112 9.639 10.341 3.502
Start of MODEL 17
1 H MET 65 1HT MET 65 3.381 28.461 -15.890
2 HA MET 65 HA MET 65 4.862 26.875 -16.713
3 HB2 MET 65 2HB MET 65 6.465 27.156 -14.696
4 HB3 MET 65 1HB MET 65 5.384 26.060 -13.857
5 HG2 MET 65 2HG MET 65 7.314 24.897 -14.776
6 HG3 MET 65 1HG MET 65 5.801 24.327 -15.489
7 HE1 MET 65 1HE MET 65 8.722 23.789 -16.741
8 HE2 MET 65 2HE MET 65 8.394 24.068 -18.451
9 HE3 MET 65 3HE MET 65 7.234 23.181 -17.469
10 H SER 66 H SER 66 4.040 24.717 -17.040
11 HA SER 66 HA SER 66 1.468 24.353 -15.755
12 HB2 SER 66 2HB SER 66 2.691 22.904 -18.118
13 HB3 SER 66 1HB SER 66 1.004 22.848 -17.602
14 HG SER 66 HG SER 66 1.224 25.272 -17.834
15 H GLY 67 H GLY 67 0.909 22.069 -15.096
16 HA2 GLY 67 2HA GLY 67 1.780 19.857 -14.519
17 HA3 GLY 67 1HA GLY 67 3.304 20.641 -14.123
18 H SER 68 H SER 68 0.695 22.503 -13.120
19 HA SER 68 HA SER 68 1.203 21.838 -10.347
20 HB2 SER 68 2HB SER 68 -0.667 23.902 -11.523
21 HB3 SER 68 1HB SER 68 -0.008 23.861 -9.881
22 HG SER 68 HG SER 68 2.105 23.852 -11.150
23 H GLY 69 H GLY 69 -0.879 20.872 -12.770
24 HA2 GLY 69 2HA GLY 69 -2.408 19.166 -11.168
25 HA3 GLY 69 1HA GLY 69 -3.376 20.575 -11.621
26 H ARG 70 H ARG 70 -4.588 18.782 -12.792
27 HA ARG 70 HA ARG 70 -5.273 17.895 -14.768
28 HB2 ARG 70 2HB ARG 70 -4.770 20.176 -15.617
29 HB3 ARG 70 1HB ARG 70 -3.111 19.710 -15.903
30 HG2 ARG 70 2HG ARG 70 -3.837 18.220 -17.688
31 HG3 ARG 70 1HG ARG 70 -5.523 18.637 -17.359
32 HD2 ARG 70 2HD ARG 70 -5.148 20.913 -17.918
33 HD3 ARG 70 1HD ARG 70 -3.409 20.666 -18.042
34 HE ARG 70 HE ARG 70 -4.588 18.977 -19.870
35 HH11 ARG 70 1HH1 ARG 70 -4.566 22.480 -19.301
36 HH12 ARG 70 2HH1 ARG 70 -4.575 22.895 -20.942
37 HH21 ARG 70 1HH2 ARG 70 -4.556 19.551 -22.149
38 HH22 ARG 70 2HH2 ARG 70 -4.543 21.197 -22.598
39 H GLY 71 H GLY 71 -3.153 16.817 -13.153
40 HA2 GLY 71 2HA GLY 71 -2.508 14.531 -14.725
41 HA3 GLY 71 1HA GLY 71 -1.085 15.506 -14.342
42 H ARG 72 H ARG 72 -3.975 14.270 -12.794
43 HA ARG 72 HA ARG 72 -2.809 14.403 -10.172
44 HB2 ARG 72 2HB ARG 72 -5.366 13.066 -11.060
45 HB3 ARG 72 1HB ARG 72 -4.904 13.410 -9.404
46 HG2 ARG 72 2HG ARG 72 -4.964 15.805 -9.891
47 HG3 ARG 72 1HG ARG 72 -5.437 15.455 -11.548
48 HD2 ARG 72 2HD ARG 72 -7.443 14.302 -10.683
49 HD3 ARG 72 1HD ARG 72 -6.981 14.788 -9.051
50 HE ARG 72 HE ARG 72 -7.215 16.898 -11.009
51 HH11 ARG 72 1HH1 ARG 72 -8.760 15.150 -8.341
52 HH12 ARG 72 2HH1 ARG 72 -9.957 16.329 -8.096
53 HH21 ARG 72 1HH2 ARG 72 -8.862 18.519 -10.642
54 HH22 ARG 72 2HH2 ARG 72 -10.023 18.287 -9.424
55 H GLY 73 H GLY 73 -4.077 11.686 -12.094
56 HA2 GLY 73 2HA GLY 73 -2.191 9.940 -12.260
57 HA3 GLY 73 1HA GLY 73 -2.425 9.897 -10.517
58 H ALA 74 H ALA 74 -3.306 7.925 -10.282
59 HA ALA 74 HA ALA 74 -5.714 7.280 -11.823
60 HB1 ALA 74 1HB ALA 74 -3.852 5.690 -12.138
61 HB2 ALA 74 2HB ALA 74 -5.170 4.940 -11.243
62 HB3 ALA 74 3HB ALA 74 -3.726 5.488 -10.391
63 H ILE 75 H ILE 75 -6.587 5.331 -9.987
64 HA ILE 75 HA ILE 75 -7.191 7.114 -7.804
65 HB ILE 75 HB ILE 75 -8.806 4.779 -8.880
66 HG12 ILE 75 2HG1 ILE 75 -9.388 7.750 -9.024
67 HG13 ILE 75 1HG1 ILE 75 -8.734 6.795 -10.345
68 HG21 ILE 75 1HG2 ILE 75 -9.496 6.757 -6.710
69 HG22 ILE 75 2HG2 ILE 75 -9.113 5.052 -6.480
70 HG23 ILE 75 3HG2 ILE 75 -10.577 5.518 -7.352
71 HD11 ILE 75 1HD1 ILE 75 -11.425 6.411 -9.052
72 HD12 ILE 75 2HD1 ILE 75 -10.767 5.476 -10.403
73 HD13 ILE 75 3HD1 ILE 75 -11.104 7.191 -10.605
74 H ASP 76 H ASP 76 -6.655 6.415 -5.824
75 HA ASP 76 HA ASP 76 -4.816 4.289 -5.552
76 HB2 ASP 76 2HB ASP 76 -4.718 6.222 -4.063
77 HB3 ASP 76 1HB ASP 76 -6.274 5.780 -3.373
78 H ARG 77 H ARG 77 -5.381 2.317 -5.846
79 HA ARG 77 HA ARG 77 -7.415 1.104 -4.068
80 HB2 ARG 77 2HB ARG 77 -6.838 0.170 -6.894
81 HB3 ARG 77 1HB ARG 77 -8.056 -0.438 -5.799
82 HG2 ARG 77 2HG ARG 77 -9.340 1.572 -6.043
83 HG3 ARG 77 1HG ARG 77 -8.035 2.281 -7.021
84 HD2 ARG 77 2HD ARG 77 -9.593 -0.196 -7.733
85 HD3 ARG 77 1HD ARG 77 -9.854 1.405 -8.430
86 HE ARG 77 HE ARG 77 -7.250 1.002 -8.890
87 HH11 ARG 77 1HH1 ARG 77 -10.069 -1.044 -9.571
88 HH12 ARG 77 2HH1 ARG 77 -9.405 -1.788 -10.937
89 HH21 ARG 77 1HH2 ARG 77 -6.289 -0.066 -10.785
90 HH22 ARG 77 2HH2 ARG 77 -7.188 -1.231 -11.631
91 H GLU 78 H GLU 78 -4.911 0.534 -6.452
92 HA GLU 78 HA GLU 78 -3.611 -1.415 -4.713
93 HB2 GLU 78 2HB GLU 78 -4.891 -2.450 -6.538
94 HB3 GLU 78 1HB GLU 78 -4.040 -1.457 -7.697
95 HG2 GLU 78 2HG GLU 78 -1.897 -2.531 -6.862
96 HG3 GLU 78 1HG GLU 78 -2.923 -3.679 -6.005
97 H GLN 79 H GLN 79 -1.651 -0.558 -4.243
98 HA GLN 79 HA GLN 79 -0.273 0.920 -6.346
99 HB2 GLN 79 2HB GLN 79 0.345 0.762 -3.379
100 HB3 GLN 79 1HB GLN 79 1.346 1.583 -4.561
101 HG2 GLN 79 2HG GLN 79 -0.543 3.095 -5.053
102 HG3 GLN 79 1HG GLN 79 -1.466 2.309 -3.772
103 HE21 GLN 79 1HE2 GLN 79 -0.871 2.669 -1.634
104 HE22 GLN 79 2HE2 GLN 79 0.192 3.941 -1.173
105 H SER 80 H SER 80 0.477 -0.662 -7.553
106 HA SER 80 HA SER 80 2.238 -2.612 -6.262
107 HB2 SER 80 2HB SER 80 1.600 -4.118 -8.149
108 HB3 SER 80 1HB SER 80 0.265 -3.736 -7.061
109 HG SER 80 HG SER 80 -0.668 -3.261 -8.921
110 H ALA 81 H ALA 81 1.464 -0.987 -9.294
111 HA ALA 81 HA ALA 81 3.884 -1.389 -10.615
112 HB1 ALA 81 1HB ALA 81 1.949 0.906 -10.939
113 HB2 ALA 81 2HB ALA 81 1.839 -0.657 -11.746
114 HB3 ALA 81 3HB ALA 81 3.188 0.423 -12.096
115 H ALA 82 H ALA 82 2.760 1.225 -8.589
116 HA ALA 82 HA ALA 82 4.993 2.904 -8.849
117 HB1 ALA 82 1HB ALA 82 4.180 4.031 -6.850
118 HB2 ALA 82 2HB ALA 82 3.118 2.667 -6.500
119 HB3 ALA 82 3HB ALA 82 2.841 3.655 -7.935
120 H ILE 83 H ILE 83 4.381 0.182 -6.712
121 HA ILE 83 HA ILE 83 6.679 0.648 -5.096
122 HB ILE 83 HB ILE 83 5.111 -1.933 -5.477
123 HG12 ILE 83 2HG1 ILE 83 4.935 0.198 -3.328
124 HG13 ILE 83 1HG1 ILE 83 3.722 -0.141 -4.555
125 HG21 ILE 83 1HG2 ILE 83 6.163 -2.656 -3.364
126 HG22 ILE 83 2HG2 ILE 83 7.126 -1.177 -3.348
127 HG23 ILE 83 3HG2 ILE 83 7.365 -2.366 -4.624
128 HD11 ILE 83 1HD1 ILE 83 3.328 -2.335 -3.564
129 HD12 ILE 83 2HD1 ILE 83 3.090 -1.046 -2.378
130 HD13 ILE 83 3HD1 ILE 83 4.565 -2.011 -2.347
131 H ARG 84 H ARG 84 5.951 -1.430 -7.856
132 HA ARG 84 HA ARG 84 8.471 -2.677 -8.061
133 HB2 ARG 84 2HB ARG 84 6.501 -2.055 -10.276
134 HB3 ARG 84 1HB ARG 84 7.891 -3.115 -10.450
135 HG2 ARG 84 2HG ARG 84 6.958 -4.596 -8.742
136 HG3 ARG 84 1HG ARG 84 5.546 -3.544 -8.622
137 HD2 ARG 84 2HD ARG 84 6.437 -5.057 -11.081
138 HD3 ARG 84 1HD ARG 84 5.107 -5.510 -10.022
139 HE ARG 84 HE ARG 84 5.180 -3.105 -11.726
140 HH11 ARG 84 1HH1 ARG 84 3.299 -5.675 -10.107
141 HH12 ARG 84 2HH1 ARG 84 1.816 -5.211 -10.761
142 HH21 ARG 84 1HH2 ARG 84 3.126 -2.519 -12.711
143 HH22 ARG 84 2HH2 ARG 84 1.722 -3.376 -12.325
144 H GLU 85 H GLU 85 7.286 0.327 -9.391
145 HA GLU 85 HA GLU 85 9.632 0.810 -10.903
146 HB2 GLU 85 2HB GLU 85 7.363 2.616 -10.123
147 HB3 GLU 85 1HB GLU 85 8.689 3.113 -11.166
148 HG2 GLU 85 2HG GLU 85 8.122 1.342 -12.747
149 HG3 GLU 85 1HG GLU 85 6.809 0.833 -11.690
150 H TRP 86 H TRP 86 8.529 1.911 -7.737
151 HA TRP 86 HA TRP 86 10.700 3.598 -7.143
152 HB2 TRP 86 2HB TRP 86 8.761 3.604 -5.698
153 HB3 TRP 86 1HB TRP 86 8.916 1.884 -5.388
154 HD1 TRP 86 HD TRP 86 10.420 5.264 -4.322
155 HE1 TRP 86 1HE TRP 86 11.707 4.930 -2.136
156 HE3 TRP 86 3HE TRP 86 10.148 0.165 -3.976
157 HZ2 TRP 86 2HZ TRP 86 12.508 2.784 -0.468
158 HZ3 TRP 86 3HZ TRP 86 11.202 -0.932 -2.043
159 HH2 TRP 86 HH TRP 86 12.352 0.355 -0.338
160 H ALA 87 H ALA 87 10.184 0.176 -6.638
161 HA ALA 87 HA ALA 87 12.548 -0.436 -5.322
162 HB1 ALA 87 1HB ALA 87 10.842 -2.138 -7.100
163 HB2 ALA 87 2HB ALA 87 10.584 -1.850 -5.387
164 HB3 ALA 87 3HB ALA 87 12.016 -2.736 -5.930
165 H ARG 88 H ARG 88 11.739 -0.693 -8.755
166 HA ARG 88 HA ARG 88 14.398 -1.534 -9.333
167 HB2 ARG 88 2HB ARG 88 12.136 -0.795 -11.157
168 HB3 ARG 88 1HB ARG 88 13.679 -1.441 -11.708
169 HG2 ARG 88 2HG ARG 88 13.307 -3.450 -10.317
170 HG3 ARG 88 1HG ARG 88 11.725 -2.817 -9.873
171 HD2 ARG 88 2HD ARG 88 11.540 -4.462 -11.634
172 HD3 ARG 88 1HD ARG 88 11.058 -2.871 -12.218
173 HE ARG 88 HE ARG 88 13.264 -2.701 -13.237
174 HH11 ARG 88 1HH1 ARG 88 12.223 -5.991 -12.347
175 HH12 ARG 88 2HH1 ARG 88 13.009 -6.729 -13.657
176 HH21 ARG 88 1HH2 ARG 88 14.378 -3.750 -14.991
177 HH22 ARG 88 2HH2 ARG 88 14.275 -5.438 -15.180
178 H ARG 89 H ARG 89 12.891 1.516 -9.042
179 HA ARG 89 HA ARG 89 14.753 3.014 -10.533
180 HB2 ARG 89 2HB ARG 89 12.604 3.932 -9.673
181 HB3 ARG 89 1HB ARG 89 13.204 3.778 -8.036
182 HG2 ARG 89 2HG ARG 89 14.934 5.467 -8.545
183 HG3 ARG 89 1HG ARG 89 14.258 5.637 -10.165
184 HD2 ARG 89 2HD ARG 89 12.107 6.307 -9.209
185 HD3 ARG 89 1HD ARG 89 12.771 6.120 -7.590
186 HE ARG 89 HE ARG 89 14.091 7.998 -9.377
187 HH11 ARG 89 1HH1 ARG 89 11.786 7.575 -6.699
188 HH12 ARG 89 2HH1 ARG 89 11.949 9.183 -6.149
189 HH21 ARG 89 1HH2 ARG 89 14.236 10.216 -8.626
190 HH22 ARG 89 2HH2 ARG 89 13.371 10.711 -7.245
191 H ASN 90 H ASN 90 14.553 1.914 -7.191
192 HA ASN 90 HA ASN 90 17.084 2.921 -6.350
193 HB2 ASN 90 2HB ASN 90 15.184 0.908 -5.219
194 HB3 ASN 90 1HB ASN 90 16.771 1.070 -4.506
195 HD21 ASN 90 1HD2 ASN 90 13.651 2.454 -4.909
196 HD22 ASN 90 2HD2 ASN 90 13.864 3.742 -3.782
197 H GLY 91 H GLY 91 15.962 -0.159 -7.523
198 HA2 GLY 91 2HA GLY 91 17.478 -1.423 -8.971
199 HA3 GLY 91 1HA GLY 91 18.782 -0.947 -7.886
200 H HIS 92 H HIS 92 15.653 -1.890 -6.673
201 HA HIS 92 HA HIS 92 16.853 -4.098 -5.247
202 HB2 HIS 92 2HB HIS 92 13.927 -3.271 -5.373
203 HB3 HIS 92 1HB HIS 92 14.629 -4.401 -4.232
204 HD1 HIS 92 1HD HIS 92 17.028 -2.668 -3.219
205 HD2 HIS 92 2HD HIS 92 13.152 -1.292 -3.740
206 HE1 HIS 92 1HE HIS 92 16.818 -0.543 -1.845
207 H ASN 93 H ASN 93 15.845 -6.280 -5.409
208 HA ASN 93 HA ASN 93 15.625 -6.887 -8.236
209 HB2 ASN 93 2HB ASN 93 15.924 -8.734 -5.864
210 HB3 ASN 93 1HB ASN 93 15.816 -9.276 -7.532
211 HD21 ASN 93 1HD2 ASN 93 17.945 -9.580 -5.588
212 HD22 ASN 93 2HD2 ASN 93 19.354 -8.901 -6.294
213 H VAL 94 H VAL 94 13.637 -6.291 -8.817
214 HA VAL 94 HA VAL 94 11.457 -7.873 -7.679
215 HB VAL 94 HB VAL 94 11.235 -5.003 -8.651
216 HG11 VAL 94 1HG1 VAL 94 9.152 -6.831 -7.454
217 HG12 VAL 94 2HG1 VAL 94 9.209 -6.266 -9.124
218 HG13 VAL 94 3HG1 VAL 94 8.926 -5.122 -7.812
219 HG21 VAL 94 1HG2 VAL 94 11.104 -6.150 -5.871
220 HG22 VAL 94 2HG2 VAL 94 10.668 -4.495 -6.299
221 HG23 VAL 94 3HG2 VAL 94 12.330 -5.053 -6.509
222 H SER 95 H SER 95 11.032 -9.307 -9.172
223 HA SER 95 HA SER 95 11.392 -8.807 -11.928
224 HB2 SER 95 2HB SER 95 10.006 -11.072 -10.485
225 HB3 SER 95 1HB SER 95 10.523 -11.077 -12.173
226 HG SER 95 HG SER 95 12.662 -10.439 -11.025
227 H THR 96 H THR 96 9.887 -8.038 -13.332
228 HA THR 96 HA THR 96 7.520 -6.945 -12.297
229 HB THR 96 HB THR 96 7.107 -6.511 -14.815
230 HG1 THR 96 1HG THR 96 8.646 -7.079 -16.150
231 HG21 THR 96 1HG2 THR 96 9.595 -5.459 -13.465
232 HG22 THR 96 2HG2 THR 96 7.958 -4.854 -13.218
233 HG23 THR 96 3HG2 THR 96 8.732 -4.683 -14.794
234 H ARG 97 H ARG 97 8.313 -9.892 -13.898
235 HA ARG 97 HA ARG 97 5.502 -10.647 -13.706
236 HB2 ARG 97 2HB ARG 97 7.675 -11.762 -15.465
237 HB3 ARG 97 1HB ARG 97 6.128 -12.556 -15.220
238 HG2 ARG 97 2HG ARG 97 4.972 -10.637 -16.149
239 HG3 ARG 97 1HG ARG 97 6.511 -9.799 -16.354
240 HD2 ARG 97 2HD ARG 97 5.676 -10.823 -18.419
241 HD3 ARG 97 1HD ARG 97 7.252 -11.462 -17.942
242 HE ARG 97 HE ARG 97 5.780 -13.322 -16.923
243 HH11 ARG 97 1HH1 ARG 97 5.106 -11.665 -19.991
244 HH12 ARG 97 2HH1 ARG 97 4.335 -13.007 -20.680
245 HH21 ARG 97 1HH2 ARG 97 4.748 -15.123 -17.869
246 HH22 ARG 97 2HH2 ARG 97 4.108 -15.033 -19.447
247 H GLY 98 H GLY 98 5.544 -11.111 -11.602
248 HA2 GLY 98 2HA GLY 98 6.067 -13.716 -10.876
249 HA3 GLY 98 1HA GLY 98 7.449 -12.760 -10.344
250 H ARG 99 H ARG 99 7.225 -11.313 -8.685
251 HA ARG 99 HA ARG 99 4.710 -10.697 -7.513
252 HB2 ARG 99 2HB ARG 99 5.018 -12.986 -6.662
253 HB3 ARG 99 1HB ARG 99 6.627 -12.583 -6.107
254 HG2 ARG 99 2HG ARG 99 5.073 -12.675 -4.230
255 HG3 ARG 99 1HG ARG 99 5.653 -11.030 -4.460
256 HD2 ARG 99 2HD ARG 99 3.595 -10.424 -5.571
257 HD3 ARG 99 1HD ARG 99 3.006 -12.081 -5.457
258 HE ARG 99 HE ARG 99 3.350 -11.609 -2.928
259 HH11 ARG 99 1HH1 ARG 99 2.064 -9.275 -5.299
260 HH12 ARG 99 2HH1 ARG 99 1.047 -8.488 -4.194
261 HH21 ARG 99 1HH2 ARG 99 1.909 -10.476 -1.384
262 HH22 ARG 99 2HH2 ARG 99 0.930 -9.213 -1.956
263 H ILE 100 H ILE 100 5.002 -8.976 -6.112
264 HA ILE 100 HA ILE 100 7.582 -7.727 -6.125
265 HB ILE 100 HB ILE 100 5.069 -6.948 -4.611
266 HG12 ILE 100 2HG1 ILE 100 6.085 -5.855 -7.242
267 HG13 ILE 100 1HG1 ILE 100 4.780 -7.021 -7.107
268 HG21 ILE 100 1HG2 ILE 100 7.550 -5.364 -5.312
269 HG22 ILE 100 2HG2 ILE 100 7.135 -6.005 -3.726
270 HG23 ILE 100 3HG2 ILE 100 6.135 -4.738 -4.451
271 HD11 ILE 100 1HD1 ILE 100 4.789 -4.222 -5.994
272 HD12 ILE 100 2HD1 ILE 100 3.476 -5.384 -5.826
273 HD13 ILE 100 3HD1 ILE 100 3.918 -4.780 -7.422
274 HA PRO 101 HA PRO 101 8.860 -9.903 -2.333
275 HB2 PRO 101 2HB PRO 101 10.621 -7.515 -2.255
276 HB3 PRO 101 1HB PRO 101 11.056 -9.229 -2.111
277 HG2 PRO 101 2HG PRO 101 11.615 -7.941 -4.322
278 HG3 PRO 101 1HG PRO 101 10.997 -9.605 -4.374
279 HD2 PRO 101 2HD PRO 101 9.562 -7.063 -4.964
280 HD3 PRO 101 1HD PRO 101 9.427 -8.660 -5.736
281 H ALA 102 H ALA 102 7.850 -9.735 -0.561
282 HA ALA 102 HA ALA 102 6.345 -7.503 0.286
283 HB1 ALA 102 1HB ALA 102 5.981 -8.739 2.361
284 HB2 ALA 102 2HB ALA 102 7.272 -9.860 1.932
285 HB3 ALA 102 3HB ALA 102 5.797 -9.800 0.965
286 H ASP 103 H ASP 103 9.567 -8.575 0.917
287 HA ASP 103 HA ASP 103 10.283 -6.799 2.970
288 HB2 ASP 103 2HB ASP 103 11.771 -8.614 2.383
289 HB3 ASP 103 1HB ASP 103 11.923 -8.017 0.737
290 H VAL 104 H VAL 104 10.227 -6.479 -0.527
291 HA VAL 104 HA VAL 104 11.286 -3.839 -0.597
292 HB VAL 104 HB VAL 104 9.774 -5.502 -2.634
293 HG11 VAL 104 1HG1 VAL 104 9.079 -3.188 -2.970
294 HG12 VAL 104 2HG1 VAL 104 10.131 -3.733 -4.281
295 HG13 VAL 104 3HG1 VAL 104 10.770 -2.672 -3.019
296 HG21 VAL 104 1HG2 VAL 104 12.559 -4.359 -2.574
297 HG22 VAL 104 2HG2 VAL 104 11.888 -5.387 -3.841
298 HG23 VAL 104 3HG2 VAL 104 12.127 -6.028 -2.216
299 H ILE 105 H ILE 105 8.040 -5.165 -0.556
300 HA ILE 105 HA ILE 105 6.614 -2.772 -0.812
301 HB ILE 105 HB ILE 105 5.823 -5.277 0.710
302 HG12 ILE 105 2HG1 ILE 105 5.252 -4.412 -2.129
303 HG13 ILE 105 1HG1 ILE 105 6.403 -5.640 -1.659
304 HG21 ILE 105 1HG2 ILE 105 3.516 -4.517 0.383
305 HG22 ILE 105 2HG2 ILE 105 4.105 -3.024 -0.344
306 HG23 ILE 105 3HG2 ILE 105 4.439 -3.371 1.353
307 HD11 ILE 105 1HD1 ILE 105 3.417 -5.772 -1.243
308 HD12 ILE 105 2HD1 ILE 105 4.566 -7.024 -0.778
309 HD13 ILE 105 3HD1 ILE 105 4.331 -6.631 -2.481
310 H ASP 106 H ASP 106 7.767 -4.443 2.097
311 HA ASP 106 HA ASP 106 6.710 -2.531 3.920
312 HB2 ASP 106 2HB ASP 106 7.362 -4.824 4.622
313 HB3 ASP 106 1HB ASP 106 9.048 -4.410 4.340
314 H ALA 107 H ALA 107 9.747 -2.841 2.231
315 HA ALA 107 HA ALA 107 11.089 -0.716 3.500
316 HB1 ALA 107 1HB ALA 107 12.236 -2.405 2.144
317 HB2 ALA 107 2HB ALA 107 12.596 -0.775 1.568
318 HB3 ALA 107 3HB ALA 107 11.432 -1.787 0.704
319 H TYR 108 H TYR 108 9.055 -0.880 0.630
320 HA TYR 108 HA TYR 108 9.222 1.786 -0.211
321 HB2 TYR 108 2HB TYR 108 8.253 0.093 -1.633
322 HB3 TYR 108 1HB TYR 108 6.975 -0.228 -0.472
323 HD1 TYR 108 1HD TYR 108 8.218 2.166 -2.986
324 HD2 TYR 108 2HD TYR 108 4.982 1.159 -0.422
325 HE1 TYR 108 1HE TYR 108 6.779 3.767 -4.176
326 HE2 TYR 108 2HE TYR 108 3.541 2.757 -1.601
327 HH TYR 108 HH TYR 108 3.760 4.749 -2.972
328 H HIS 109 H HIS 109 7.126 0.220 2.106
329 HA HIS 109 HA HIS 109 5.662 2.601 2.677
330 HB2 HIS 109 2HB HIS 109 5.705 -0.129 3.915
331 HB3 HIS 109 1HB HIS 109 4.802 1.173 4.669
332 HD1 HIS 109 1HD HIS 109 2.389 1.200 3.949
333 HD2 HIS 109 2HD HIS 109 4.872 -0.422 1.036
334 HE1 HIS 109 1HE HIS 109 0.894 0.510 2.049
335 H ALA 110 H ALA 110 8.549 1.193 3.981
336 HA ALA 110 HA ALA 110 8.444 2.834 6.360
337 HB1 ALA 110 1HB ALA 110 10.708 1.150 5.301
338 HB2 ALA 110 2HB ALA 110 9.475 0.603 6.439
339 HB3 ALA 110 3HB ALA 110 10.612 1.867 6.906
340 H ALA 111 H ALA 111 10.120 2.893 3.267
341 HA ALA 111 HA ALA 111 11.783 5.103 3.996
342 HB1 ALA 111 1HB ALA 111 12.548 5.044 1.683
343 HB2 ALA 111 2HB ALA 111 11.248 3.926 1.270
344 HB3 ALA 111 3HB ALA 111 12.530 3.419 2.371
345 H ASP 112 H ASP 112 11.268 7.137 3.948
346 HA ASP 112 HA ASP 112 8.734 7.979 2.843
347 HB2 ASP 112 2HB ASP 112 9.369 8.859 5.034
348 HB3 ASP 112 1HB ASP 112 10.840 9.543 4.355
Start of MODEL 18
1 H MET 65 1HT MET 65 6.264 11.365 27.731
2 HA MET 65 HA MET 65 4.534 9.849 26.975
3 HB2 MET 65 2HB MET 65 4.486 12.509 25.510
4 HB3 MET 65 1HB MET 65 3.094 11.484 25.783
5 HG2 MET 65 2HG MET 65 4.722 12.806 27.941
6 HG3 MET 65 1HG MET 65 3.185 13.396 27.322
7 HE1 MET 65 1HE MET 65 2.145 13.486 29.721
8 HE2 MET 65 2HE MET 65 3.667 12.944 30.427
9 HE3 MET 65 3HE MET 65 2.159 12.148 30.867
10 H SER 66 H SER 66 4.893 8.115 25.699
11 HA SER 66 HA SER 66 5.947 8.487 23.066
12 HB2 SER 66 2HB SER 66 6.665 6.633 24.582
13 HB3 SER 66 1HB SER 66 5.048 5.947 24.441
14 HG SER 66 HG SER 66 5.575 5.140 22.581
15 H GLY 67 H GLY 67 4.386 9.507 21.905
16 HA2 GLY 67 2HA GLY 67 1.779 8.229 21.692
17 HA3 GLY 67 1HA GLY 67 2.242 9.784 20.999
18 H SER 68 H SER 68 2.172 6.380 20.559
19 HA SER 68 HA SER 68 3.890 6.189 18.341
20 HB2 SER 68 2HB SER 68 1.547 4.441 19.102
21 HB3 SER 68 1HB SER 68 2.948 3.978 18.129
22 HG SER 68 HG SER 68 4.240 4.131 19.869
23 H GLY 69 H GLY 69 3.444 7.589 16.700
24 HA2 GLY 69 2HA GLY 69 0.885 7.258 15.342
25 HA3 GLY 69 1HA GLY 69 1.342 8.877 15.855
26 H ARG 70 H ARG 70 3.133 6.228 14.383
27 HA ARG 70 HA ARG 70 4.236 8.038 12.401
28 HB2 ARG 70 2HB ARG 70 5.726 6.277 13.249
29 HB3 ARG 70 1HB ARG 70 4.568 5.046 12.784
30 HG2 ARG 70 2HG ARG 70 4.906 5.525 10.437
31 HG3 ARG 70 1HG ARG 70 5.977 6.861 10.837
32 HD2 ARG 70 2HD ARG 70 6.519 3.998 11.606
33 HD3 ARG 70 1HD ARG 70 7.128 4.746 10.128
34 HE ARG 70 HE ARG 70 7.754 6.254 12.453
35 HH11 ARG 70 1HH1 ARG 70 8.794 3.391 10.678
36 HH12 ARG 70 2HH1 ARG 70 10.441 3.558 11.093
37 HH21 ARG 70 1HH2 ARG 70 10.058 6.488 13.011
38 HH22 ARG 70 2HH2 ARG 70 11.162 5.379 12.378
39 H GLY 71 H GLY 71 2.141 5.219 12.558
40 HA2 GLY 71 2HA GLY 71 0.588 6.145 10.359
41 HA3 GLY 71 1HA GLY 71 1.556 4.719 9.995
42 H ARG 72 H ARG 72 -1.088 4.543 9.897
43 HA ARG 72 HA ARG 72 -2.041 3.379 12.402
44 HB2 ARG 72 2HB ARG 72 -3.371 3.783 9.720
45 HB3 ARG 72 1HB ARG 72 -4.164 3.124 11.135
46 HG2 ARG 72 2HG ARG 72 -3.872 5.232 12.311
47 HG3 ARG 72 1HG ARG 72 -2.999 5.894 10.929
48 HD2 ARG 72 2HD ARG 72 -5.344 6.623 10.958
49 HD3 ARG 72 1HD ARG 72 -4.975 5.650 9.533
50 HE ARG 72 HE ARG 72 -5.992 4.097 11.703
51 HH11 ARG 72 1HH1 ARG 72 -6.983 6.139 8.971
52 HH12 ARG 72 2HH1 ARG 72 -8.520 5.430 8.848
53 HH21 ARG 72 1HH2 ARG 72 -8.112 3.146 11.497
54 HH22 ARG 72 2HH2 ARG 72 -9.187 3.728 10.329
55 H GLY 73 H GLY 73 -1.615 2.537 9.002
56 HA2 GLY 73 2HA GLY 73 -0.578 -0.019 9.615
57 HA3 GLY 73 1HA GLY 73 -2.213 -0.083 8.958
58 H ALA 74 H ALA 74 0.779 -0.460 7.980
59 HA ALA 74 HA ALA 74 0.496 1.200 5.633
60 HB1 ALA 74 1HB ALA 74 2.827 -0.468 6.593
61 HB2 ALA 74 2HB ALA 74 2.697 1.290 6.710
62 HB3 ALA 74 3HB ALA 74 2.818 0.509 5.128
63 H ILE 75 H ILE 75 -1.126 0.176 4.755
64 HA ILE 75 HA ILE 75 -0.778 -2.635 4.157
65 HB ILE 75 HB ILE 75 -3.314 -1.018 4.228
66 HG12 ILE 75 2HG1 ILE 75 -2.349 -2.984 6.313
67 HG13 ILE 75 1HG1 ILE 75 -2.067 -1.254 6.432
68 HG21 ILE 75 1HG2 ILE 75 -3.415 -2.999 2.809
69 HG22 ILE 75 2HG2 ILE 75 -4.399 -3.221 4.259
70 HG23 ILE 75 3HG2 ILE 75 -2.820 -3.998 4.140
71 HD11 ILE 75 1HD1 ILE 75 -3.959 -1.959 7.760
72 HD12 ILE 75 2HD1 ILE 75 -4.765 -2.580 6.306
73 HD13 ILE 75 3HD1 ILE 75 -4.420 -0.849 6.474
74 H ASP 76 H ASP 76 -0.490 -3.040 2.051
75 HA ASP 76 HA ASP 76 -0.667 -0.931 0.118
76 HB2 ASP 76 2HB ASP 76 0.298 -2.532 -1.474
77 HB3 ASP 76 1HB ASP 76 1.219 -2.530 0.020
78 H ARG 77 H ARG 77 -2.217 -0.544 -1.184
79 HA ARG 77 HA ARG 77 -4.263 -2.562 -1.792
80 HB2 ARG 77 2HB ARG 77 -5.147 -1.164 0.009
81 HB3 ARG 77 1HB ARG 77 -4.750 0.287 -0.883
82 HG2 ARG 77 2HG ARG 77 -7.138 -0.128 -0.953
83 HG3 ARG 77 1HG ARG 77 -6.446 -0.281 -2.565
84 HD2 ARG 77 2HD ARG 77 -6.956 -2.650 -0.772
85 HD3 ARG 77 1HD ARG 77 -8.179 -2.008 -1.860
86 HE ARG 77 HE ARG 77 -6.307 -2.401 -3.602
87 HH11 ARG 77 1HH1 ARG 77 -7.022 -4.520 -0.863
88 HH12 ARG 77 2HH1 ARG 77 -6.602 -5.938 -1.696
89 HH21 ARG 77 1HH2 ARG 77 -5.729 -4.334 -4.711
90 HH22 ARG 77 2HH2 ARG 77 -5.871 -5.841 -3.956
91 H GLU 78 H GLU 78 -3.280 0.754 -2.442
92 HA GLU 78 HA GLU 78 -3.817 0.350 -5.281
93 HB2 GLU 78 2HB GLU 78 -4.865 2.252 -4.130
94 HB3 GLU 78 1HB GLU 78 -3.281 2.850 -3.679
95 HG2 GLU 78 2HG GLU 78 -2.751 3.327 -5.957
96 HG3 GLU 78 1HG GLU 78 -4.236 2.546 -6.509
97 H GLN 79 H GLN 79 -1.322 0.906 -2.964
98 HA GLN 79 HA GLN 79 0.785 1.545 -4.764
99 HB2 GLN 79 2HB GLN 79 0.712 0.595 -1.912
100 HB3 GLN 79 1HB GLN 79 2.226 0.649 -2.788
101 HG2 GLN 79 2HG GLN 79 1.930 2.582 -1.357
102 HG3 GLN 79 1HG GLN 79 2.011 3.057 -3.055
103 HE21 GLN 79 1HE2 GLN 79 0.234 4.031 -3.946
104 HE22 GLN 79 2HE2 GLN 79 -1.110 4.549 -2.996
105 H SER 80 H SER 80 1.322 0.174 -6.321
106 HA SER 80 HA SER 80 2.358 -2.395 -5.595
107 HB2 SER 80 2HB SER 80 1.013 -3.485 -7.493
108 HB3 SER 80 1HB SER 80 0.147 -3.124 -6.008
109 HG SER 80 HG SER 80 -1.143 -2.119 -7.211
110 H ALA 81 H ALA 81 1.372 -0.650 -8.522
111 HA ALA 81 HA ALA 81 3.669 -1.342 -10.018
112 HB1 ALA 81 1HB ALA 81 1.781 0.979 -10.417
113 HB2 ALA 81 2HB ALA 81 1.567 -0.649 -11.064
114 HB3 ALA 81 3HB ALA 81 2.913 0.349 -11.616
115 H ALA 82 H ALA 82 2.801 1.459 -8.114
116 HA ALA 82 HA ALA 82 5.063 3.054 -8.585
117 HB1 ALA 82 1HB ALA 82 4.473 4.181 -6.486
118 HB2 ALA 82 2HB ALA 82 3.351 2.871 -6.106
119 HB3 ALA 82 3HB ALA 82 3.060 3.912 -7.501
120 H ILE 83 H ILE 83 4.504 0.356 -6.468
121 HA ILE 83 HA ILE 83 6.841 0.682 -4.872
122 HB ILE 83 HB ILE 83 5.209 -1.813 -5.408
123 HG12 ILE 83 2HG1 ILE 83 5.109 0.157 -3.115
124 HG13 ILE 83 1HG1 ILE 83 3.886 -0.083 -4.354
125 HG21 ILE 83 1HG2 ILE 83 7.260 -1.301 -3.249
126 HG22 ILE 83 2HG2 ILE 83 7.445 -2.392 -4.623
127 HG23 ILE 83 3HG2 ILE 83 6.248 -2.741 -3.376
128 HD11 ILE 83 1HD1 ILE 83 3.453 -2.328 -3.511
129 HD12 ILE 83 2HD1 ILE 83 3.265 -1.129 -2.226
130 HD13 ILE 83 3HD1 ILE 83 4.725 -2.119 -2.311
131 H ARG 84 H ARG 84 6.020 -1.168 -7.749
132 HA ARG 84 HA ARG 84 8.459 -2.521 -8.108
133 HB2 ARG 84 2HB ARG 84 6.571 -1.514 -10.230
134 HB3 ARG 84 1HB ARG 84 7.864 -2.667 -10.491
135 HG2 ARG 84 2HG ARG 84 6.697 -4.235 -8.977
136 HG3 ARG 84 1HG ARG 84 5.365 -3.074 -8.860
137 HD2 ARG 84 2HD ARG 84 5.125 -3.132 -11.294
138 HD3 ARG 84 1HD ARG 84 6.410 -4.326 -11.385
139 HE ARG 84 HE ARG 84 4.043 -4.918 -9.807
140 HH11 ARG 84 1HH1 ARG 84 5.935 -5.513 -12.753
141 HH12 ARG 84 2HH1 ARG 84 5.029 -6.846 -13.266
142 HH21 ARG 84 1HH2 ARG 84 2.769 -6.787 -10.504
143 HH22 ARG 84 2HH2 ARG 84 3.179 -7.598 -11.938
144 H GLU 85 H GLU 85 7.349 0.620 -9.277
145 HA GLU 85 HA GLU 85 9.786 1.061 -10.654
146 HB2 GLU 85 2HB GLU 85 7.564 2.976 -10.023
147 HB3 GLU 85 1HB GLU 85 8.921 3.337 -11.097
148 HG2 GLU 85 2HG GLU 85 6.723 1.320 -11.466
149 HG3 GLU 85 1HG GLU 85 7.102 2.710 -12.479
150 H TRP 86 H TRP 86 8.650 1.946 -7.487
151 HA TRP 86 HA TRP 86 10.828 3.613 -6.796
152 HB2 TRP 86 2HB TRP 86 8.902 3.582 -5.386
153 HB3 TRP 86 1HB TRP 86 8.998 1.840 -5.182
154 HD1 TRP 86 HD TRP 86 10.467 5.105 -3.835
155 HE1 TRP 86 1HE TRP 86 11.752 4.568 -1.655
156 HE3 TRP 86 3HE TRP 86 10.314 0.009 -4.006
157 HZ2 TRP 86 2HZ TRP 86 12.585 2.294 -0.217
158 HZ3 TRP 86 3HZ TRP 86 11.369 -1.265 -2.215
159 HH2 TRP 86 HH TRP 86 12.486 -0.146 -0.349
160 H ALA 87 H ALA 87 10.306 0.164 -6.773
161 HA ALA 87 HA ALA 87 12.680 -0.605 -5.551
162 HB1 ALA 87 1HB ALA 87 11.009 -2.047 -7.604
163 HB2 ALA 87 2HB ALA 87 10.815 -2.138 -5.856
164 HB3 ALA 87 3HB ALA 87 12.255 -2.805 -6.620
165 H ARG 88 H ARG 88 11.825 -0.040 -8.938
166 HA ARG 88 HA ARG 88 14.314 -0.642 -10.140
167 HB2 ARG 88 2HB ARG 88 12.340 1.489 -10.992
168 HB3 ARG 88 1HB ARG 88 13.590 0.768 -11.989
169 HG2 ARG 88 2HG ARG 88 11.208 -0.690 -10.869
170 HG3 ARG 88 1HG ARG 88 11.317 -0.054 -12.503
171 HD2 ARG 88 2HD ARG 88 13.335 -1.511 -12.813
172 HD3 ARG 88 1HD ARG 88 12.955 -2.243 -11.252
173 HE ARG 88 HE ARG 88 10.635 -2.342 -12.702
174 HH11 ARG 88 1HH1 ARG 88 13.878 -3.746 -12.955
175 HH12 ARG 88 2HH1 ARG 88 13.379 -5.019 -13.973
176 HH21 ARG 88 1HH2 ARG 88 9.977 -4.106 -14.110
177 HH22 ARG 88 2HH2 ARG 88 11.160 -5.210 -14.669
178 H ARG 89 H ARG 89 12.928 2.317 -8.884
179 HA ARG 89 HA ARG 89 14.839 4.240 -9.369
180 HB2 ARG 89 2HB ARG 89 12.552 4.553 -8.465
181 HB3 ARG 89 1HB ARG 89 13.094 3.910 -6.936
182 HG2 ARG 89 2HG ARG 89 14.587 5.838 -6.666
183 HG3 ARG 89 1HG ARG 89 14.011 6.487 -8.207
184 HD2 ARG 89 2HD ARG 89 12.357 5.970 -5.726
185 HD3 ARG 89 1HD ARG 89 12.765 7.540 -6.424
186 HE ARG 89 HE ARG 89 11.536 6.434 -8.460
187 HH11 ARG 89 1HH1 ARG 89 10.440 6.710 -5.063
188 HH12 ARG 89 2HH1 ARG 89 8.811 6.425 -5.450
189 HH21 ARG 89 1HH2 ARG 89 9.259 6.060 -8.921
190 HH22 ARG 89 2HH2 ARG 89 8.116 6.074 -7.662
191 H ASN 90 H ASN 90 14.588 2.049 -6.621
192 HA ASN 90 HA ASN 90 17.014 2.984 -5.404
193 HB2 ASN 90 2HB ASN 90 15.153 0.718 -4.819
194 HB3 ASN 90 1HB ASN 90 16.723 0.775 -4.035
195 HD21 ASN 90 1HD2 ASN 90 13.638 2.310 -4.372
196 HD22 ASN 90 2HD2 ASN 90 13.767 3.269 -2.945
197 H GLY 91 H GLY 91 16.096 -0.019 -7.021
198 HA2 GLY 91 2HA GLY 91 17.813 -0.644 -8.740
199 HA3 GLY 91 1HA GLY 91 18.962 -0.520 -7.412
200 H HIS 92 H HIS 92 15.699 -1.864 -7.291
201 HA HIS 92 HA HIS 92 16.884 -4.416 -6.449
202 HB2 HIS 92 2HB HIS 92 13.952 -3.665 -6.266
203 HB3 HIS 92 1HB HIS 92 14.787 -4.939 -5.402
204 HD1 HIS 92 1HD HIS 92 17.025 -3.299 -3.984
205 HD2 HIS 92 2HD HIS 92 13.077 -2.077 -4.306
206 HE1 HIS 92 1HE HIS 92 16.670 -1.509 -2.231
207 H ASN 93 H ASN 93 16.547 -6.180 -7.738
208 HA ASN 93 HA ASN 93 15.510 -5.624 -10.371
209 HB2 ASN 93 2HB ASN 93 16.828 -8.105 -9.255
210 HB3 ASN 93 1HB ASN 93 16.208 -7.992 -10.899
211 HD21 ASN 93 1HD2 ASN 93 17.354 -6.840 -12.410
212 HD22 ASN 93 2HD2 ASN 93 18.924 -6.217 -12.120
213 H VAL 94 H VAL 94 13.358 -5.259 -9.463
214 HA VAL 94 HA VAL 94 11.901 -7.680 -8.855
215 HB VAL 94 HB VAL 94 10.790 -4.857 -9.176
216 HG11 VAL 94 1HG1 VAL 94 9.492 -7.339 -8.029
217 HG12 VAL 94 2HG1 VAL 94 9.069 -6.574 -9.557
218 HG13 VAL 94 3HG1 VAL 94 8.783 -5.724 -8.039
219 HG21 VAL 94 1HG2 VAL 94 12.338 -5.051 -7.296
220 HG22 VAL 94 2HG2 VAL 94 11.427 -6.431 -6.681
221 HG23 VAL 94 3HG2 VAL 94 10.681 -4.836 -6.728
222 H SER 95 H SER 95 12.416 -8.702 -10.686
223 HA SER 95 HA SER 95 10.604 -8.200 -12.909
224 HB2 SER 95 2HB SER 95 13.547 -8.880 -13.217
225 HB3 SER 95 1HB SER 95 12.389 -8.598 -14.521
226 HG SER 95 HG SER 95 12.254 -6.575 -12.888
227 H THR 96 H THR 96 9.926 -9.864 -11.057
228 HA THR 96 HA THR 96 11.045 -12.458 -11.476
229 HB THR 96 HB THR 96 9.335 -13.057 -9.683
230 HG1 THR 96 1HG THR 96 8.449 -11.162 -8.580
231 HG21 THR 96 1HG2 THR 96 11.665 -12.601 -9.112
232 HG22 THR 96 2HG2 THR 96 10.617 -11.860 -7.894
233 HG23 THR 96 3HG2 THR 96 11.352 -10.870 -9.144
234 H ARG 97 H ARG 97 7.668 -11.842 -11.023
235 HA ARG 97 HA ARG 97 6.957 -12.409 -13.794
236 HB2 ARG 97 2HB ARG 97 5.825 -14.102 -11.523
237 HB3 ARG 97 1HB ARG 97 5.273 -14.115 -13.172
238 HG2 ARG 97 2HG ARG 97 7.976 -15.045 -12.225
239 HG3 ARG 97 1HG ARG 97 6.606 -16.076 -12.626
240 HD2 ARG 97 2HD ARG 97 6.675 -15.100 -14.943
241 HD3 ARG 97 1HD ARG 97 8.186 -14.309 -14.483
242 HE ARG 97 HE ARG 97 8.028 -17.159 -14.065
243 HH11 ARG 97 1HH1 ARG 97 9.249 -14.553 -16.137
244 HH12 ARG 97 2HH1 ARG 97 10.295 -15.560 -17.029
245 HH21 ARG 97 1HH2 ARG 97 9.487 -18.534 -15.285
246 HH22 ARG 97 2HH2 ARG 97 10.448 -17.879 -16.524
247 H GLY 98 H GLY 98 5.607 -12.280 -10.552
248 HA2 GLY 98 2HA GLY 98 4.215 -9.815 -11.142
249 HA3 GLY 98 1HA GLY 98 3.164 -11.209 -10.952
250 H ARG 99 H ARG 99 5.211 -12.301 -8.934
251 HA ARG 99 HA ARG 99 3.937 -11.172 -6.655
252 HB2 ARG 99 2HB ARG 99 4.677 -13.581 -6.835
253 HB3 ARG 99 1HB ARG 99 6.339 -13.009 -6.714
254 HG2 ARG 99 2HG ARG 99 5.733 -11.945 -4.548
255 HG3 ARG 99 1HG ARG 99 4.175 -12.762 -4.640
256 HD2 ARG 99 2HD ARG 99 5.570 -14.099 -3.269
257 HD3 ARG 99 1HD ARG 99 5.462 -14.924 -4.824
258 HE ARG 99 HE ARG 99 7.691 -13.548 -5.175
259 HH11 ARG 99 1HH1 ARG 99 6.666 -15.541 -2.459
260 HH12 ARG 99 2HH1 ARG 99 8.218 -15.808 -1.846
261 HH21 ARG 99 1HH2 ARG 99 9.842 -13.908 -4.393
262 HH22 ARG 99 2HH2 ARG 99 10.131 -14.836 -3.003
263 H ILE 100 H ILE 100 4.506 -9.339 -5.851
264 HA ILE 100 HA ILE 100 7.153 -8.252 -6.211
265 HB ILE 100 HB ILE 100 4.755 -7.162 -4.704
266 HG12 ILE 100 2HG1 ILE 100 5.822 -6.405 -7.440
267 HG13 ILE 100 1HG1 ILE 100 4.407 -7.412 -7.158
268 HG21 ILE 100 1HG2 ILE 100 6.862 -6.265 -3.873
269 HG22 ILE 100 2HG2 ILE 100 5.944 -5.014 -4.724
270 HG23 ILE 100 3HG2 ILE 100 7.328 -5.786 -5.508
271 HD11 ILE 100 1HD1 ILE 100 3.292 -5.539 -6.074
272 HD12 ILE 100 2HD1 ILE 100 3.786 -5.135 -7.718
273 HD13 ILE 100 3HD1 ILE 100 4.712 -4.526 -6.343
274 HA PRO 101 HA PRO 101 8.700 -10.044 -2.325
275 HB2 PRO 101 2HB PRO 101 10.393 -7.613 -2.495
276 HB3 PRO 101 1HB PRO 101 10.888 -9.303 -2.263
277 HG2 PRO 101 2HG PRO 101 11.296 -8.146 -4.575
278 HG3 PRO 101 1HG PRO 101 10.730 -9.826 -4.493
279 HD2 PRO 101 2HD PRO 101 9.202 -7.375 -5.198
280 HD3 PRO 101 1HD PRO 101 9.063 -9.030 -5.831
281 H ALA 102 H ALA 102 7.713 -9.854 -0.584
282 HA ALA 102 HA ALA 102 6.187 -7.722 0.337
283 HB1 ALA 102 1HB ALA 102 7.453 -9.944 1.945
284 HB2 ALA 102 2HB ALA 102 5.913 -10.038 1.091
285 HB3 ALA 102 3HB ALA 102 6.096 -8.939 2.455
286 H ASP 103 H ASP 103 9.507 -8.624 0.929
287 HA ASP 103 HA ASP 103 10.206 -6.722 2.879
288 HB2 ASP 103 2HB ASP 103 11.757 -8.484 2.342
289 HB3 ASP 103 1HB ASP 103 11.834 -7.960 0.665
290 H VAL 104 H VAL 104 10.075 -6.537 -0.638
291 HA VAL 104 HA VAL 104 11.134 -3.907 -0.799
292 HB VAL 104 HB VAL 104 9.571 -5.608 -2.769
293 HG11 VAL 104 1HG1 VAL 104 10.633 -2.818 -3.271
294 HG12 VAL 104 2HG1 VAL 104 8.929 -3.296 -3.192
295 HG13 VAL 104 3HG1 VAL 104 9.958 -3.909 -4.486
296 HG21 VAL 104 1HG2 VAL 104 12.389 -4.548 -2.769
297 HG22 VAL 104 2HG2 VAL 104 11.674 -5.586 -4.004
298 HG23 VAL 104 3HG2 VAL 104 11.894 -6.188 -2.362
299 H ILE 105 H ILE 105 7.886 -5.203 -0.583
300 HA ILE 105 HA ILE 105 6.502 -2.771 -0.918
301 HB ILE 105 HB ILE 105 5.621 -5.234 0.625
302 HG12 ILE 105 2HG1 ILE 105 5.138 -4.437 -2.250
303 HG13 ILE 105 1HG1 ILE 105 6.259 -5.672 -1.724
304 HG21 ILE 105 1HG2 ILE 105 3.989 -2.960 -0.541
305 HG22 ILE 105 2HG2 ILE 105 4.259 -3.270 1.170
306 HG23 ILE 105 3HG2 ILE 105 3.335 -4.418 0.200
307 HD11 ILE 105 1HD1 ILE 105 4.379 -6.982 -0.826
308 HD12 ILE 105 2HD1 ILE 105 4.202 -6.662 -2.547
309 HD13 ILE 105 3HD1 ILE 105 3.266 -5.732 -1.376
310 H ASP 106 H ASP 106 7.545 -4.447 2.049
311 HA ASP 106 HA ASP 106 6.525 -2.419 3.761
312 HB2 ASP 106 2HB ASP 106 8.414 -4.708 4.232
313 HB3 ASP 106 1HB ASP 106 8.202 -3.470 5.464
314 H ALA 107 H ALA 107 9.614 -2.918 2.248
315 HA ALA 107 HA ALA 107 10.965 -0.844 3.567
316 HB1 ALA 107 1HB ALA 107 12.082 -2.553 2.218
317 HB2 ALA 107 2HB ALA 107 12.525 -0.928 1.680
318 HB3 ALA 107 3HB ALA 107 11.349 -1.884 0.768
319 H TYR 108 H TYR 108 9.036 -0.920 0.596
320 HA TYR 108 HA TYR 108 9.331 1.725 -0.210
321 HB2 TYR 108 2HB TYR 108 8.329 0.091 -1.659
322 HB3 TYR 108 1HB TYR 108 7.000 -0.181 -0.541
323 HD1 TYR 108 1HD TYR 108 8.538 2.297 -2.767
324 HD2 TYR 108 2HD TYR 108 5.033 1.187 -0.681
325 HE1 TYR 108 1HE TYR 108 7.311 4.034 -3.950
326 HE2 TYR 108 2HE TYR 108 3.784 2.943 -1.867
327 HH TYR 108 HH TYR 108 5.195 4.664 -4.524
328 H HIS 109 H HIS 109 6.915 0.264 1.875
329 HA HIS 109 HA HIS 109 5.542 2.684 2.364
330 HB2 HIS 109 2HB HIS 109 5.415 -0.032 3.594
331 HB3 HIS 109 1HB HIS 109 4.526 1.288 4.325
332 HD1 HIS 109 1HD HIS 109 2.301 1.915 3.199
333 HD2 HIS 109 2HD HIS 109 4.582 -0.706 0.925
334 HE1 HIS 109 1HE HIS 109 0.820 1.156 1.293
335 H ALA 110 H ALA 110 8.246 1.191 3.993
336 HA ALA 110 HA ALA 110 8.010 2.950 6.277
337 HB1 ALA 110 1HB ALA 110 10.141 2.001 7.002
338 HB2 ALA 110 2HB ALA 110 10.313 1.177 5.452
339 HB3 ALA 110 3HB ALA 110 9.012 0.725 6.550
340 H ALA 111 H ALA 111 9.871 2.840 3.302
341 HA ALA 111 HA ALA 111 11.571 5.010 4.075
342 HB1 ALA 111 1HB ALA 111 12.371 3.187 2.626
343 HB2 ALA 111 2HB ALA 111 12.562 4.772 1.886
344 HB3 ALA 111 3HB ALA 111 11.248 3.712 1.374
345 H ASP 112 H ASP 112 11.473 7.064 3.488
346 HA ASP 112 HA ASP 112 9.162 7.931 1.923
347 HB2 ASP 112 2HB ASP 112 9.009 8.793 4.188
348 HB3 ASP 112 1HB ASP 112 10.670 9.381 4.118
Start of MODEL 19
1 H MET 65 1HT MET 65 -0.146 26.559 -28.404
2 HA MET 65 HA MET 65 -3.020 26.557 -27.881
3 HB2 MET 65 2HB MET 65 -1.043 24.254 -27.845
4 HB3 MET 65 1HB MET 65 -2.683 24.163 -27.234
5 HG2 MET 65 2HG MET 65 -2.646 23.137 -29.371
6 HG3 MET 65 1HG MET 65 -3.483 24.678 -29.540
7 HE1 MET 65 1HE MET 65 0.826 23.856 -31.025
8 HE2 MET 65 2HE MET 65 -0.216 22.632 -30.309
9 HE3 MET 65 3HE MET 65 0.428 23.936 -29.311
10 H SER 66 H SER 66 -3.400 25.676 -25.684
11 HA SER 66 HA SER 66 -1.307 26.208 -23.733
12 HB2 SER 66 2HB SER 66 -4.092 27.421 -23.655
13 HB3 SER 66 1HB SER 66 -2.821 27.659 -22.456
14 HG SER 66 HG SER 66 -1.694 28.300 -24.658
15 H GLY 67 H GLY 67 -2.410 23.843 -24.811
16 HA2 GLY 67 2HA GLY 67 -4.544 22.936 -23.068
17 HA3 GLY 67 1HA GLY 67 -3.882 22.078 -24.446
18 H SER 68 H SER 68 -2.651 23.358 -21.377
19 HA SER 68 HA SER 68 -1.108 20.973 -21.026
20 HB2 SER 68 2HB SER 68 -0.481 22.250 -18.861
21 HB3 SER 68 1HB SER 68 0.047 22.931 -20.403
22 HG SER 68 HG SER 68 -0.951 24.421 -18.904
23 H GLY 69 H GLY 69 -2.452 19.318 -20.593
24 HA2 GLY 69 2HA GLY 69 -4.719 19.749 -18.820
25 HA3 GLY 69 1HA GLY 69 -4.434 18.343 -19.826
26 H ARG 70 H ARG 70 -2.312 19.832 -17.390
27 HA ARG 70 HA ARG 70 -2.153 17.206 -16.193
28 HB2 ARG 70 2HB ARG 70 -0.560 19.707 -15.614
29 HB3 ARG 70 1HB ARG 70 -0.420 18.235 -14.672
30 HG2 ARG 70 2HG ARG 70 0.206 17.042 -16.783
31 HG3 ARG 70 1HG ARG 70 0.261 18.622 -17.570
32 HD2 ARG 70 2HD ARG 70 1.886 17.823 -15.153
33 HD3 ARG 70 1HD ARG 70 2.475 17.822 -16.806
34 HE ARG 70 HE ARG 70 2.071 20.236 -16.816
35 HH11 ARG 70 1HH1 ARG 70 2.316 18.692 -13.624
36 HH12 ARG 70 2HH1 ARG 70 3.043 20.020 -12.869
37 HH21 ARG 70 1HH2 ARG 70 3.084 22.090 -15.769
38 HH22 ARG 70 2HH2 ARG 70 3.473 22.017 -14.116
39 H GLY 71 H GLY 71 -3.959 16.834 -15.192
40 HA2 GLY 71 2HA GLY 71 -5.003 18.765 -13.307
41 HA3 GLY 71 1HA GLY 71 -5.741 17.221 -13.753
42 H ARG 72 H ARG 72 -3.715 18.859 -11.601
43 HA ARG 72 HA ARG 72 -2.377 16.567 -10.658
44 HB2 ARG 72 2HB ARG 72 -2.561 19.336 -9.548
45 HB3 ARG 72 1HB ARG 72 -1.756 18.037 -8.680
46 HG2 ARG 72 2HG ARG 72 -0.296 17.719 -10.684
47 HG3 ARG 72 1HG ARG 72 -1.016 19.181 -11.364
48 HD2 ARG 72 2HD ARG 72 1.136 19.599 -10.204
49 HD3 ARG 72 1HD ARG 72 -0.209 20.496 -9.498
50 HE ARG 72 HE ARG 72 -0.281 18.571 -7.840
51 HH11 ARG 72 1HH1 ARG 72 2.797 19.588 -9.314
52 HH12 ARG 72 2HH1 ARG 72 3.715 19.165 -7.946
53 HH21 ARG 72 1HH2 ARG 72 0.982 17.973 -6.042
54 HH22 ARG 72 2HH2 ARG 72 2.675 18.179 -6.064
55 H GLY 73 H GLY 73 -3.645 15.075 -10.086
56 HA2 GLY 73 2HA GLY 73 -4.936 15.368 -7.495
57 HA3 GLY 73 1HA GLY 73 -5.830 14.638 -8.833
58 H ALA 74 H ALA 74 -3.955 13.909 -6.250
59 HA ALA 74 HA ALA 74 -2.776 11.591 -7.562
60 HB1 ALA 74 1HB ALA 74 -2.052 12.892 -4.954
61 HB2 ALA 74 2HB ALA 74 -1.165 13.046 -6.484
62 HB3 ALA 74 3HB ALA 74 -1.283 11.473 -5.677
63 H ILE 75 H ILE 75 -3.799 9.831 -7.242
64 HA ILE 75 HA ILE 75 -5.810 9.765 -5.201
65 HB ILE 75 HB ILE 75 -5.224 7.832 -7.433
66 HG12 ILE 75 2HG1 ILE 75 -7.442 9.867 -7.272
67 HG13 ILE 75 1HG1 ILE 75 -5.889 10.212 -8.019
68 HG21 ILE 75 1HG2 ILE 75 -7.505 6.969 -6.996
69 HG22 ILE 75 2HG2 ILE 75 -7.643 8.059 -5.617
70 HG23 ILE 75 3HG2 ILE 75 -6.450 6.763 -5.598
71 HD11 ILE 75 1HD1 ILE 75 -7.568 9.631 -9.647
72 HD12 ILE 75 2HD1 ILE 75 -7.795 8.051 -8.861
73 HD13 ILE 75 3HD1 ILE 75 -6.238 8.473 -9.602
74 H ASP 76 H ASP 76 -5.461 8.688 -3.410
75 HA ASP 76 HA ASP 76 -3.058 7.062 -3.128
76 HB2 ASP 76 2HB ASP 76 -3.450 8.795 -1.431
77 HB3 ASP 76 1HB ASP 76 -4.997 8.055 -1.032
78 H ARG 77 H ARG 77 -3.169 4.950 -3.291
79 HA ARG 77 HA ARG 77 -5.279 3.372 -2.280
80 HB2 ARG 77 2HB ARG 77 -6.056 2.473 -4.438
81 HB3 ARG 77 1HB ARG 77 -6.400 4.192 -4.320
82 HG2 ARG 77 2HG ARG 77 -4.434 4.664 -5.700
83 HG3 ARG 77 1HG ARG 77 -4.143 2.930 -5.845
84 HD2 ARG 77 2HD ARG 77 -6.328 2.655 -6.912
85 HD3 ARG 77 1HD ARG 77 -6.616 4.389 -6.759
86 HE ARG 77 HE ARG 77 -4.300 3.425 -8.252
87 HH11 ARG 77 1HH1 ARG 77 -7.500 4.965 -8.333
88 HH12 ARG 77 2HH1 ARG 77 -7.260 5.648 -9.883
89 HH21 ARG 77 1HH2 ARG 77 -4.029 4.405 -10.385
90 HH22 ARG 77 2HH2 ARG 77 -5.303 5.327 -11.033
91 H GLU 78 H GLU 78 -4.832 1.075 -3.568
92 HA GLU 78 HA GLU 78 -2.145 0.424 -2.914
93 HB2 GLU 78 2HB GLU 78 -3.956 -1.185 -2.603
94 HB3 GLU 78 1HB GLU 78 -4.334 -1.097 -4.311
95 HG2 GLU 78 2HG GLU 78 -2.080 -2.043 -4.784
96 HG3 GLU 78 1HG GLU 78 -1.889 -2.277 -3.051
97 H GLN 79 H GLN 79 -0.761 1.587 -4.281
98 HA GLN 79 HA GLN 79 -1.057 1.009 -7.121
99 HB2 GLN 79 2HB GLN 79 0.891 2.882 -5.806
100 HB3 GLN 79 1HB GLN 79 0.618 2.702 -7.533
101 HG2 GLN 79 2HG GLN 79 -1.719 3.545 -7.172
102 HG3 GLN 79 1HG GLN 79 -1.272 3.884 -5.500
103 HE21 GLN 79 1HE2 GLN 79 -2.119 5.744 -7.545
104 HE22 GLN 79 2HE2 GLN 79 -0.843 6.889 -7.708
105 H SER 80 H SER 80 -0.481 -1.136 -6.878
106 HA SER 80 HA SER 80 1.921 -2.035 -5.722
107 HB2 SER 80 2HB SER 80 0.336 -3.325 -7.949
108 HB3 SER 80 1HB SER 80 1.434 -4.132 -6.826
109 HG SER 80 HG SER 80 -0.007 -3.906 -5.212
110 H ALA 81 H ALA 81 1.067 -0.843 -8.873
111 HA ALA 81 HA ALA 81 3.372 -1.572 -10.302
112 HB1 ALA 81 1HB ALA 81 2.715 0.162 -11.893
113 HB2 ALA 81 2HB ALA 81 1.596 0.834 -10.713
114 HB3 ALA 81 3HB ALA 81 1.310 -0.775 -11.381
115 H ALA 82 H ALA 82 2.535 1.363 -8.498
116 HA ALA 82 HA ALA 82 4.865 2.812 -9.076
117 HB1 ALA 82 1HB ALA 82 4.257 4.244 -7.198
118 HB2 ALA 82 2HB ALA 82 3.120 3.021 -6.626
119 HB3 ALA 82 3HB ALA 82 2.835 3.844 -8.162
120 H ILE 83 H ILE 83 4.109 0.560 -6.499
121 HA ILE 83 HA ILE 83 6.453 0.900 -4.977
122 HB ILE 83 HB ILE 83 4.716 -1.578 -5.273
123 HG12 ILE 83 2HG1 ILE 83 4.680 0.595 -3.170
124 HG13 ILE 83 1HG1 ILE 83 3.560 0.487 -4.521
125 HG21 ILE 83 1HG2 ILE 83 6.718 -0.857 -3.121
126 HG22 ILE 83 2HG2 ILE 83 6.909 -2.137 -4.320
127 HG23 ILE 83 3HG2 ILE 83 5.647 -2.258 -3.095
128 HD11 ILE 83 1HD1 ILE 83 2.721 -1.628 -3.657
129 HD12 ILE 83 2HD1 ILE 83 2.563 -0.319 -2.492
130 HD13 ILE 83 3HD1 ILE 83 3.843 -1.523 -2.295
131 H ARG 84 H ARG 84 5.696 -1.281 -7.650
132 HA ARG 84 HA ARG 84 8.152 -2.685 -7.753
133 HB2 ARG 84 2HB ARG 84 6.188 -2.031 -9.945
134 HB3 ARG 84 1HB ARG 84 7.566 -3.106 -10.135
135 HG2 ARG 84 2HG ARG 84 6.622 -4.641 -8.530
136 HG3 ARG 84 1HG ARG 84 5.282 -3.533 -8.233
137 HD2 ARG 84 2HD ARG 84 4.699 -5.380 -9.778
138 HD3 ARG 84 1HD ARG 84 4.487 -3.780 -10.485
139 HE ARG 84 HE ARG 84 6.927 -4.384 -11.346
140 HH11 ARG 84 1HH1 ARG 84 3.952 -6.318 -11.379
141 HH12 ARG 84 2HH1 ARG 84 4.378 -7.225 -12.760
142 HH21 ARG 84 1HH2 ARG 84 7.499 -5.594 -13.273
143 HH22 ARG 84 2HH2 ARG 84 6.486 -6.821 -13.843
144 H GLU 85 H GLU 85 7.011 0.182 -9.402
145 HA GLU 85 HA GLU 85 9.286 0.629 -11.006
146 HB2 GLU 85 2HB GLU 85 7.272 2.640 -10.001
147 HB3 GLU 85 1HB GLU 85 8.387 2.890 -11.335
148 HG2 GLU 85 2HG GLU 85 6.136 0.889 -11.233
149 HG3 GLU 85 1HG GLU 85 6.151 2.386 -12.151
150 H TRP 86 H TRP 86 8.336 1.884 -7.854
151 HA TRP 86 HA TRP 86 10.478 3.562 -7.269
152 HB2 TRP 86 2HB TRP 86 8.528 3.516 -5.859
153 HB3 TRP 86 1HB TRP 86 8.717 1.803 -5.555
154 HD1 TRP 86 HD TRP 86 10.076 5.208 -4.449
155 HE1 TRP 86 1HE TRP 86 11.314 4.914 -2.219
156 HE3 TRP 86 3HE TRP 86 10.017 0.115 -4.169
157 HZ2 TRP 86 2HZ TRP 86 12.170 2.764 -0.572
158 HZ3 TRP 86 3HZ TRP 86 11.084 -0.967 -2.249
159 HH2 TRP 86 HH TRP 86 12.123 0.336 -0.486
160 H ALA 87 H ALA 87 10.021 0.134 -6.668
161 HA ALA 87 HA ALA 87 12.466 -0.424 -5.452
162 HB1 ALA 87 1HB ALA 87 10.647 -2.126 -7.119
163 HB2 ALA 87 2HB ALA 87 10.586 -1.942 -5.369
164 HB3 ALA 87 3HB ALA 87 11.954 -2.767 -6.132
165 H ARG 88 H ARG 88 11.517 -0.727 -8.812
166 HA ARG 88 HA ARG 88 14.110 -1.504 -9.663
167 HB2 ARG 88 2HB ARG 88 11.743 -0.488 -11.247
168 HB3 ARG 88 1HB ARG 88 13.203 -1.154 -11.960
169 HG2 ARG 88 2HG ARG 88 11.723 -2.808 -9.970
170 HG3 ARG 88 1HG ARG 88 11.041 -2.636 -11.577
171 HD2 ARG 88 2HD ARG 88 12.398 -4.672 -11.365
172 HD3 ARG 88 1HD ARG 88 13.052 -3.583 -12.569
173 HE ARG 88 HE ARG 88 14.588 -2.957 -10.508
174 HH11 ARG 88 1HH1 ARG 88 13.505 -6.227 -11.402
175 HH12 ARG 88 2HH1 ARG 88 15.016 -6.943 -11.092
176 HH21 ARG 88 1HH2 ARG 88 16.645 -3.988 -10.051
177 HH22 ARG 88 2HH2 ARG 88 16.828 -5.664 -10.285
178 H ARG 89 H ARG 89 12.772 1.577 -8.886
179 HA ARG 89 HA ARG 89 14.535 3.118 -10.564
180 HB2 ARG 89 2HB ARG 89 12.388 4.017 -9.689
181 HB3 ARG 89 1HB ARG 89 13.016 3.878 -8.055
182 HG2 ARG 89 2HG ARG 89 14.795 5.497 -8.663
183 HG3 ARG 89 1HG ARG 89 14.003 5.712 -10.229
184 HD2 ARG 89 2HD ARG 89 11.946 6.392 -9.046
185 HD3 ARG 89 1HD ARG 89 12.811 6.271 -7.515
186 HE ARG 89 HE ARG 89 13.656 8.077 -9.668
187 HH11 ARG 89 1HH1 ARG 89 12.998 7.529 -6.213
188 HH12 ARG 89 2HH1 ARG 89 13.282 9.128 -5.773
189 HH21 ARG 89 1HH2 ARG 89 14.022 10.283 -9.046
190 HH22 ARG 89 2HH2 ARG 89 13.909 10.749 -7.415
191 H ASN 90 H ASN 90 14.366 2.102 -7.244
192 HA ASN 90 HA ASN 90 16.753 3.378 -6.339
193 HB2 ASN 90 2HB ASN 90 14.898 1.324 -5.231
194 HB3 ASN 90 1HB ASN 90 16.288 1.844 -4.314
195 HD21 ASN 90 1HD2 ASN 90 13.403 2.094 -3.959
196 HD22 ASN 90 2HD2 ASN 90 13.094 3.770 -3.728
197 H GLY 91 H GLY 91 15.867 0.046 -7.029
198 HA2 GLY 91 2HA GLY 91 17.682 -1.233 -8.195
199 HA3 GLY 91 1HA GLY 91 18.740 -0.632 -6.926
200 H HIS 92 H HIS 92 15.422 -1.658 -6.443
201 HA HIS 92 HA HIS 92 16.395 -3.824 -4.760
202 HB2 HIS 92 2HB HIS 92 13.569 -2.700 -5.000
203 HB3 HIS 92 1HB HIS 92 14.077 -3.940 -3.866
204 HD1 HIS 92 1HD HIS 92 15.937 -2.957 -1.979
205 HD2 HIS 92 2HD HIS 92 13.517 -0.225 -3.968
206 HE1 HIS 92 1HE HIS 92 16.099 -0.758 -0.733
207 H ASN 93 H ASN 93 15.751 -5.906 -5.220
208 HA ASN 93 HA ASN 93 15.334 -6.286 -8.030
209 HB2 ASN 93 2HB ASN 93 16.129 -8.179 -5.847
210 HB3 ASN 93 1HB ASN 93 15.754 -8.733 -7.471
211 HD21 ASN 93 1HD2 ASN 93 17.951 -6.889 -5.519
212 HD22 ASN 93 2HD2 ASN 93 19.228 -6.824 -6.669
213 H VAL 94 H VAL 94 13.319 -5.860 -8.480
214 HA VAL 94 HA VAL 94 11.383 -7.867 -7.580
215 HB VAL 94 HB VAL 94 10.823 -5.104 -8.732
216 HG11 VAL 94 1HG1 VAL 94 8.469 -5.577 -8.224
217 HG12 VAL 94 2HG1 VAL 94 8.902 -7.209 -7.711
218 HG13 VAL 94 3HG1 VAL 94 9.116 -6.726 -9.394
219 HG21 VAL 94 1HG2 VAL 94 9.909 -4.577 -6.519
220 HG22 VAL 94 2HG2 VAL 94 11.624 -4.985 -6.439
221 HG23 VAL 94 3HG2 VAL 94 10.413 -6.164 -5.939
222 H SER 95 H SER 95 11.151 -9.378 -9.041
223 HA SER 95 HA SER 95 12.256 -9.317 -11.575
224 HB2 SER 95 2HB SER 95 10.050 -11.074 -10.502
225 HB3 SER 95 1HB SER 95 11.107 -11.434 -11.875
226 HG SER 95 HG SER 95 12.791 -10.900 -10.130
227 H THR 96 H THR 96 11.363 -9.148 -13.655
228 HA THR 96 HA THR 96 9.484 -7.159 -14.084
229 HB THR 96 HB THR 96 9.684 -8.079 -16.472
230 HG1 THR 96 1HG THR 96 10.698 -9.959 -16.671
231 HG21 THR 96 1HG2 THR 96 11.124 -6.266 -15.614
232 HG22 THR 96 2HG2 THR 96 12.039 -7.349 -16.667
233 HG23 THR 96 3HG2 THR 96 12.211 -7.467 -14.919
234 H ARG 97 H ARG 97 9.317 -10.626 -14.004
235 HA ARG 97 HA ARG 97 6.401 -10.527 -13.858
236 HB2 ARG 97 2HB ARG 97 8.032 -12.645 -15.291
237 HB3 ARG 97 1HB ARG 97 6.285 -12.627 -15.115
238 HG2 ARG 97 2HG ARG 97 6.154 -10.639 -16.500
239 HG3 ARG 97 1HG ARG 97 7.911 -10.621 -16.652
240 HD2 ARG 97 2HD ARG 97 7.765 -12.893 -17.658
241 HD3 ARG 97 1HD ARG 97 6.009 -12.721 -17.653
242 HE ARG 97 HE ARG 97 6.751 -10.514 -18.928
243 HH11 ARG 97 1HH1 ARG 97 7.714 -13.889 -19.405
244 HH12 ARG 97 2HH1 ARG 97 8.106 -13.668 -21.037
245 HH21 ARG 97 1HH2 ARG 97 7.280 -10.252 -21.179
246 HH22 ARG 97 2HH2 ARG 97 7.856 -11.616 -22.066
247 H GLY 98 H GLY 98 5.767 -11.560 -12.013
248 HA2 GLY 98 2HA GLY 98 6.551 -13.822 -10.872
249 HA3 GLY 98 1HA GLY 98 7.847 -12.730 -10.386
250 H ARG 99 H ARG 99 7.437 -12.458 -8.262
251 HA ARG 99 HA ARG 99 4.735 -11.544 -7.546
252 HB2 ARG 99 2HB ARG 99 5.358 -13.763 -6.625
253 HB3 ARG 99 1HB ARG 99 6.735 -13.016 -5.829
254 HG2 ARG 99 2HG ARG 99 5.089 -11.534 -4.634
255 HG3 ARG 99 1HG ARG 99 3.819 -12.585 -5.269
256 HD2 ARG 99 2HD ARG 99 4.998 -14.508 -4.218
257 HD3 ARG 99 1HD ARG 99 6.114 -13.364 -3.488
258 HE ARG 99 HE ARG 99 3.233 -13.276 -3.024
259 HH11 ARG 99 1HH1 ARG 99 6.546 -13.159 -1.747
260 HH12 ARG 99 2HH1 ARG 99 6.067 -12.996 -0.141
261 HH21 ARG 99 1HH2 ARG 99 2.580 -12.999 -0.782
262 HH22 ARG 99 2HH2 ARG 99 3.767 -12.869 0.426
263 H ILE 100 H ILE 100 4.615 -9.680 -6.401
264 HA ILE 100 HA ILE 100 6.908 -7.994 -6.189
265 HB ILE 100 HB ILE 100 4.132 -7.660 -4.993
266 HG12 ILE 100 2HG1 ILE 100 5.259 -6.543 -7.577
267 HG13 ILE 100 1HG1 ILE 100 4.125 -7.882 -7.472
268 HG21 ILE 100 1HG2 ILE 100 5.799 -6.252 -3.899
269 HG22 ILE 100 2HG2 ILE 100 4.703 -5.263 -4.867
270 HG23 ILE 100 3HG2 ILE 100 6.325 -5.625 -5.461
271 HD11 ILE 100 1HD1 ILE 100 3.610 -5.055 -6.588
272 HD12 ILE 100 2HD1 ILE 100 2.464 -6.391 -6.490
273 HD13 ILE 100 3HD1 ILE 100 3.007 -5.810 -8.063
274 HA PRO 101 HA PRO 101 8.058 -9.828 -2.216
275 HB2 PRO 101 2HB PRO 101 9.886 -7.524 -2.098
276 HB3 PRO 101 1HB PRO 101 10.273 -9.256 -2.051
277 HG2 PRO 101 2HG PRO 101 10.877 -7.818 -4.180
278 HG3 PRO 101 1HG PRO 101 10.285 -9.485 -4.323
279 HD2 PRO 101 2HD PRO 101 8.797 -6.938 -4.761
280 HD3 PRO 101 1HD PRO 101 8.765 -8.461 -5.684
281 H ALA 102 H ALA 102 6.992 -9.555 -0.490
282 HA ALA 102 HA ALA 102 5.492 -7.256 0.174
283 HB1 ALA 102 1HB ALA 102 5.074 -8.396 2.311
284 HB2 ALA 102 2HB ALA 102 6.331 -9.571 1.926
285 HB3 ALA 102 3HB ALA 102 4.864 -9.498 0.951
286 H ASP 103 H ASP 103 8.615 -8.464 1.014
287 HA ASP 103 HA ASP 103 9.286 -6.663 3.069
288 HB2 ASP 103 2HB ASP 103 10.551 -8.728 2.533
289 HB3 ASP 103 1HB ASP 103 11.114 -7.954 1.056
290 H VAL 104 H VAL 104 9.483 -6.472 -0.434
291 HA VAL 104 HA VAL 104 10.815 -3.959 -0.502
292 HB VAL 104 HB VAL 104 9.265 -5.524 -2.582
293 HG11 VAL 104 1HG1 VAL 104 10.429 -2.751 -2.972
294 HG12 VAL 104 2HG1 VAL 104 8.713 -3.181 -2.999
295 HG13 VAL 104 3HG1 VAL 104 9.792 -3.793 -4.255
296 HG21 VAL 104 1HG2 VAL 104 12.108 -4.543 -2.420
297 HG22 VAL 104 2HG2 VAL 104 11.437 -5.519 -3.724
298 HG23 VAL 104 3HG2 VAL 104 11.557 -6.185 -2.096
299 H ILE 105 H ILE 105 7.470 -4.957 -0.447
300 HA ILE 105 HA ILE 105 6.343 -2.375 -0.687
301 HB ILE 105 HB ILE 105 5.233 -4.792 0.790
302 HG12 ILE 105 2HG1 ILE 105 4.743 -3.806 -2.025
303 HG13 ILE 105 1HG1 ILE 105 5.756 -5.167 -1.607
304 HG21 ILE 105 1HG2 ILE 105 3.028 -3.719 0.490
305 HG22 ILE 105 2HG2 ILE 105 3.816 -2.296 -0.187
306 HG23 ILE 105 3HG2 ILE 105 4.096 -2.739 1.492
307 HD11 ILE 105 1HD1 ILE 105 3.777 -6.331 -0.701
308 HD12 ILE 105 2HD1 ILE 105 3.580 -5.913 -2.400
309 HD13 ILE 105 3HD1 ILE 105 2.776 -4.955 -1.158
310 H ASP 106 H ASP 106 7.343 -4.232 2.156
311 HA ASP 106 HA ASP 106 6.720 -2.282 4.128
312 HB2 ASP 106 2HB ASP 106 8.772 -4.508 4.090
313 HB3 ASP 106 1HB ASP 106 8.624 -3.438 5.462
314 H ALA 107 H ALA 107 9.594 -2.878 2.228
315 HA ALA 107 HA ALA 107 11.213 -0.873 3.261
316 HB1 ALA 107 1HB ALA 107 12.472 -1.067 1.170
317 HB2 ALA 107 2HB ALA 107 11.102 -1.919 0.443
318 HB3 ALA 107 3HB ALA 107 11.987 -2.661 1.772
319 H TYR 108 H TYR 108 8.954 -0.792 0.541
320 HA TYR 108 HA TYR 108 9.264 1.862 -0.262
321 HB2 TYR 108 2HB TYR 108 8.031 0.218 -1.568
322 HB3 TYR 108 1HB TYR 108 6.813 0.075 -0.322
323 HD1 TYR 108 1HD TYR 108 5.026 1.751 -0.157
324 HD2 TYR 108 2HD TYR 108 8.126 2.164 -3.029
325 HE1 TYR 108 1HE TYR 108 3.712 3.479 -1.326
326 HE2 TYR 108 2HE TYR 108 6.837 3.884 -4.198
327 HH TYR 108 HH TYR 108 4.057 5.319 -2.833
328 H HIS 109 H HIS 109 7.264 0.468 2.236
329 HA HIS 109 HA HIS 109 6.071 2.991 2.860
330 HB2 HIS 109 2HB HIS 109 5.768 0.237 3.963
331 HB3 HIS 109 1HB HIS 109 5.064 1.575 4.834
332 HD1 HIS 109 1HD HIS 109 2.946 2.706 3.705
333 HD2 HIS 109 2HD HIS 109 4.598 -0.405 1.510
334 HE1 HIS 109 1HE HIS 109 1.271 2.149 1.892
335 H ALA 110 H ALA 110 8.889 1.379 3.937
336 HA ALA 110 HA ALA 110 9.044 3.078 6.322
337 HB1 ALA 110 1HB ALA 110 9.632 0.751 6.593
338 HB2 ALA 110 2HB ALA 110 11.034 1.774 6.914
339 HB3 ALA 110 3HB ALA 110 10.901 0.901 5.384
340 H ALA 111 H ALA 111 10.578 2.707 3.213
341 HA ALA 111 HA ALA 111 12.853 4.287 3.801
342 HB1 ALA 111 1HB ALA 111 11.739 3.446 1.170
343 HB2 ALA 111 2HB ALA 111 12.884 2.513 2.142
344 HB3 ALA 111 3HB ALA 111 13.366 4.067 1.447
345 H ASP 112 H ASP 112 13.461 6.139 2.719
346 HA ASP 112 HA ASP 112 11.370 8.140 2.551
347 HB2 ASP 112 2HB ASP 112 13.424 8.530 3.890
348 HB3 ASP 112 1HB ASP 112 14.384 8.348 2.432
Start of MODEL 20
1 H MET 65 1HT MET 65 2.931 -6.413 -32.233
2 HA MET 65 HA MET 65 0.592 -4.639 -32.195
3 HB2 MET 65 2HB MET 65 0.835 -7.624 -32.574
4 HB3 MET 65 1HB MET 65 -0.655 -6.837 -32.107
5 HG2 MET 65 2HG MET 65 -0.643 -5.589 -34.202
6 HG3 MET 65 1HG MET 65 0.850 -6.403 -34.674
7 HE1 MET 65 1HE MET 65 -1.832 -8.063 -36.992
8 HE2 MET 65 2HE MET 65 -0.284 -7.224 -36.932
9 HE3 MET 65 3HE MET 65 -1.764 -6.379 -36.478
10 H SER 66 H SER 66 -0.941 -5.788 -30.518
11 HA SER 66 HA SER 66 -1.469 -6.290 -28.448
12 HB2 SER 66 2HB SER 66 -0.009 -8.268 -28.715
13 HB3 SER 66 1HB SER 66 1.358 -7.334 -28.128
14 HG SER 66 HG SER 66 -0.660 -8.551 -26.763
15 H GLY 67 H GLY 67 -1.946 -4.457 -27.572
16 HA2 GLY 67 2HA GLY 67 0.199 -2.884 -26.348
17 HA3 GLY 67 1HA GLY 67 -1.402 -2.272 -26.789
18 H SER 68 H SER 68 -1.293 -1.626 -24.428
19 HA SER 68 HA SER 68 -1.879 -3.848 -22.695
20 HB2 SER 68 2HB SER 68 -1.774 -0.880 -22.090
21 HB3 SER 68 1HB SER 68 -1.955 -2.171 -20.902
22 HG SER 68 HG SER 68 0.251 -1.682 -22.608
23 H GLY 69 H GLY 69 -3.768 -4.582 -23.647
24 HA2 GLY 69 2HA GLY 69 -6.099 -2.958 -23.904
25 HA3 GLY 69 1HA GLY 69 -6.047 -4.726 -23.913
26 H ARG 70 H ARG 70 -6.718 -1.971 -22.081
27 HA ARG 70 HA ARG 70 -6.851 -3.608 -19.660
28 HB2 ARG 70 2HB ARG 70 -4.868 -2.104 -19.731
29 HB3 ARG 70 1HB ARG 70 -5.971 -0.742 -19.837
30 HG2 ARG 70 2HG ARG 70 -6.848 -1.260 -17.630
31 HG3 ARG 70 1HG ARG 70 -5.789 -2.672 -17.530
32 HD2 ARG 70 2HD ARG 70 -4.914 0.197 -17.803
33 HD3 ARG 70 1HD ARG 70 -4.796 -0.792 -16.340
34 HE ARG 70 HE ARG 70 -3.438 -2.230 -18.180
35 HH11 ARG 70 1HH1 ARG 70 -3.141 1.137 -17.110
36 HH12 ARG 70 2HH1 ARG 70 -1.486 1.251 -17.502
37 HH21 ARG 70 1HH2 ARG 70 -1.190 -2.069 -18.719
38 HH22 ARG 70 2HH2 ARG 70 -0.341 -0.613 -18.431
39 H GLY 71 H GLY 71 -8.628 -3.439 -18.571
40 HA2 GLY 71 2HA GLY 71 -10.516 -1.289 -19.150
41 HA3 GLY 71 1HA GLY 71 -11.031 -2.979 -19.050
42 H ARG 72 H ARG 72 -9.176 -0.592 -17.300
43 HA ARG 72 HA ARG 72 -8.978 -0.025 -15.202
44 HB2 ARG 72 2HB ARG 72 -11.512 -1.600 -14.767
45 HB3 ARG 72 1HB ARG 72 -10.720 -0.675 -13.500
46 HG2 ARG 72 2HG ARG 72 -11.030 1.372 -14.801
47 HG3 ARG 72 1HG ARG 72 -11.816 0.431 -16.072
48 HD2 ARG 72 2HD ARG 72 -13.597 -0.177 -14.630
49 HD3 ARG 72 1HD ARG 72 -12.783 0.518 -13.228
50 HE ARG 72 HE ARG 72 -13.056 2.544 -15.053
51 HH11 ARG 72 1HH1 ARG 72 -15.250 0.404 -13.310
52 HH12 ARG 72 2HH1 ARG 72 -16.488 1.558 -13.147
53 HH21 ARG 72 1HH2 ARG 72 -14.726 4.137 -14.824
54 HH22 ARG 72 2HH2 ARG 72 -16.183 3.745 -14.035
55 H GLY 73 H GLY 73 -7.189 -0.733 -14.449
56 HA2 GLY 73 2HA GLY 73 -7.050 -3.108 -12.902
57 HA3 GLY 73 1HA GLY 73 -6.146 -3.207 -14.418
58 H ALA 74 H ALA 74 -5.223 -3.055 -11.596
59 HA ALA 74 HA ALA 74 -3.574 -2.221 -10.407
60 HB1 ALA 74 1HB ALA 74 -2.852 -0.540 -12.811
61 HB2 ALA 74 2HB ALA 74 -2.226 -2.161 -12.454
62 HB3 ALA 74 3HB ALA 74 -1.851 -0.805 -11.373
63 H ILE 75 H ILE 75 -5.392 -1.562 -9.452
64 HA ILE 75 HA ILE 75 -6.601 0.941 -9.701
65 HB ILE 75 HB ILE 75 -6.628 -1.001 -7.400
66 HG12 ILE 75 2HG1 ILE 75 -8.701 -0.746 -9.547
67 HG13 ILE 75 1HG1 ILE 75 -7.272 -1.738 -9.803
68 HG21 ILE 75 1HG2 ILE 75 -7.503 1.206 -6.755
69 HG22 ILE 75 2HG2 ILE 75 -8.812 0.027 -6.860
70 HG23 ILE 75 3HG2 ILE 75 -8.566 1.194 -8.160
71 HD11 ILE 75 1HD1 ILE 75 -7.829 -3.059 -7.897
72 HD12 ILE 75 2HD1 ILE 75 -9.150 -3.048 -9.065
73 HD13 ILE 75 3HD1 ILE 75 -9.257 -2.069 -7.579
74 H ASP 76 H ASP 76 -6.074 2.813 -8.786
75 HA ASP 76 HA ASP 76 -3.616 3.005 -7.312
76 HB2 ASP 76 2HB ASP 76 -5.511 5.221 -8.114
77 HB3 ASP 76 1HB ASP 76 -3.898 5.437 -7.445
78 H ARG 77 H ARG 77 -4.302 1.826 -5.638
79 HA ARG 77 HA ARG 77 -4.888 3.264 -3.294
80 HB2 ARG 77 2HB ARG 77 -7.255 2.941 -4.124
81 HB3 ARG 77 1HB ARG 77 -6.962 1.208 -4.182
82 HG2 ARG 77 2HG ARG 77 -8.256 1.840 -2.208
83 HG3 ARG 77 1HG ARG 77 -6.695 1.164 -1.753
84 HD2 ARG 77 2HD ARG 77 -5.810 3.413 -1.395
85 HD3 ARG 77 1HD ARG 77 -7.346 4.110 -1.905
86 HE ARG 77 HE ARG 77 -8.341 3.012 0.043
87 HH11 ARG 77 1HH1 ARG 77 -4.814 3.618 0.101
88 HH12 ARG 77 2HH1 ARG 77 -4.728 3.663 1.782
89 HH21 ARG 77 1HH2 ARG 77 -8.172 3.119 2.384
90 HH22 ARG 77 2HH2 ARG 77 -6.672 3.370 3.127
91 H GLU 78 H GLU 78 -5.091 0.139 -4.915
92 HA GLU 78 HA GLU 78 -3.236 -0.962 -2.961
93 HB2 GLU 78 2HB GLU 78 -5.294 -2.297 -3.370
94 HB3 GLU 78 1HB GLU 78 -4.903 -2.364 -5.083
95 HG2 GLU 78 2HG GLU 78 -2.833 -3.611 -4.503
96 HG3 GLU 78 1HG GLU 78 -3.357 -3.618 -2.821
97 H GLN 79 H GLN 79 -1.578 0.330 -3.836
98 HA GLN 79 HA GLN 79 -0.860 -0.083 -6.559
99 HB2 GLN 79 2HB GLN 79 0.063 1.714 -4.429
100 HB3 GLN 79 1HB GLN 79 1.292 1.209 -5.580
101 HG2 GLN 79 2HG GLN 79 -1.331 2.523 -6.260
102 HG3 GLN 79 1HG GLN 79 0.254 3.293 -6.248
103 HE21 GLN 79 1HE2 GLN 79 -1.568 3.034 -8.515
104 HE22 GLN 79 2HE2 GLN 79 -0.731 2.136 -9.708
105 H SER 80 H SER 80 0.535 -1.276 -7.344
106 HA SER 80 HA SER 80 2.416 -2.690 -5.664
107 HB2 SER 80 2HB SER 80 1.901 -4.773 -7.013
108 HB3 SER 80 1HB SER 80 0.627 -4.270 -5.901
109 HG SER 80 HG SER 80 0.080 -4.877 -8.137
110 H ALA 81 H ALA 81 1.329 -1.723 -8.888
111 HA ALA 81 HA ALA 81 3.621 -2.277 -10.340
112 HB1 ALA 81 1HB ALA 81 1.694 0.021 -10.708
113 HB2 ALA 81 2HB ALA 81 1.494 -1.604 -11.364
114 HB3 ALA 81 3HB ALA 81 2.824 -0.585 -11.920
115 H ALA 82 H ALA 82 2.705 0.695 -8.620
116 HA ALA 82 HA ALA 82 4.990 2.183 -9.202
117 HB1 ALA 82 1HB ALA 82 3.270 2.357 -6.730
118 HB2 ALA 82 2HB ALA 82 2.941 3.155 -8.268
119 HB3 ALA 82 3HB ALA 82 4.363 3.606 -7.325
120 H ILE 83 H ILE 83 4.420 -0.209 -6.726
121 HA ILE 83 HA ILE 83 6.723 0.382 -5.173
122 HB ILE 83 HB ILE 83 5.159 -2.211 -5.345
123 HG12 ILE 83 2HG1 ILE 83 4.920 0.131 -3.438
124 HG13 ILE 83 1HG1 ILE 83 3.738 -0.351 -4.644
125 HG21 ILE 83 1HG2 ILE 83 7.112 -1.247 -3.236
126 HG22 ILE 83 2HG2 ILE 83 7.382 -2.566 -4.373
127 HG23 ILE 83 3HG2 ILE 83 6.138 -2.716 -3.129
128 HD11 ILE 83 1HD1 ILE 83 4.523 -1.942 -2.210
129 HD12 ILE 83 2HD1 ILE 83 3.318 -2.424 -3.405
130 HD13 ILE 83 3HD1 ILE 83 3.047 -0.999 -2.397
131 H ARG 84 H ARG 84 6.080 -1.823 -7.861
132 HA ARG 84 HA ARG 84 8.594 -3.164 -7.936
133 HB2 ARG 84 2HB ARG 84 7.099 -2.312 -10.378
134 HB3 ARG 84 1HB ARG 84 8.150 -3.699 -10.213
135 HG2 ARG 84 2HG ARG 84 6.456 -4.810 -8.849
136 HG3 ARG 84 1HG ARG 84 5.397 -3.400 -9.023
137 HD2 ARG 84 2HD ARG 84 6.349 -5.286 -11.174
138 HD3 ARG 84 1HD ARG 84 4.689 -4.914 -10.702
139 HE ARG 84 HE ARG 84 6.203 -2.636 -11.695
140 HH11 ARG 84 1HH1 ARG 84 3.980 -5.210 -12.651
141 HH12 ARG 84 2HH1 ARG 84 3.531 -4.440 -14.097
142 HH21 ARG 84 1HH2 ARG 84 5.699 -1.651 -13.575
143 HH22 ARG 84 2HH2 ARG 84 4.553 -2.316 -14.666
144 H GLU 85 H GLU 85 7.332 -0.274 -9.493
145 HA GLU 85 HA GLU 85 9.570 0.349 -11.056
146 HB2 GLU 85 2HB GLU 85 7.503 2.260 -9.968
147 HB3 GLU 85 1HB GLU 85 8.535 2.541 -11.356
148 HG2 GLU 85 2HG GLU 85 6.244 0.601 -11.105
149 HG3 GLU 85 1HG GLU 85 6.380 1.988 -12.180
150 H TRP 86 H TRP 86 8.525 1.593 -7.908
151 HA TRP 86 HA TRP 86 10.665 3.262 -7.299
152 HB2 TRP 86 2HB TRP 86 8.686 3.273 -5.935
153 HB3 TRP 86 1HB TRP 86 8.852 1.567 -5.563
154 HD1 TRP 86 HD TRP 86 10.230 4.994 -4.576
155 HE1 TRP 86 1HE TRP 86 11.513 4.746 -2.337
156 HE3 TRP 86 3HE TRP 86 10.091 -0.077 -4.121
157 HZ2 TRP 86 2HZ TRP 86 12.338 2.655 -0.631
158 HZ3 TRP 86 3HZ TRP 86 11.151 -1.117 -2.159
159 HH2 TRP 86 HH TRP 86 12.237 0.231 -0.463
160 H ALA 87 H ALA 87 10.253 -0.194 -6.793
161 HA ALA 87 HA ALA 87 12.623 -0.734 -5.425
162 HB1 ALA 87 1HB ALA 87 10.745 -2.281 -5.552
163 HB2 ALA 87 2HB ALA 87 12.225 -3.071 -6.113
164 HB3 ALA 87 3HB ALA 87 11.031 -2.493 -7.272
165 H ARG 88 H ARG 88 11.921 -0.679 -8.877
166 HA ARG 88 HA ARG 88 14.540 -1.526 -9.580
167 HB2 ARG 88 2HB ARG 88 12.404 -0.239 -11.272
168 HB3 ARG 88 1HB ARG 88 13.926 -0.865 -11.898
169 HG2 ARG 88 2HG ARG 88 13.342 -3.083 -10.997
170 HG3 ARG 88 1HG ARG 88 11.776 -2.445 -10.511
171 HD2 ARG 88 2HD ARG 88 11.643 -3.643 -12.626
172 HD3 ARG 88 1HD ARG 88 11.256 -1.936 -12.833
173 HE ARG 88 HE ARG 88 13.221 -1.627 -14.001
174 HH11 ARG 88 1HH1 ARG 88 13.184 -4.927 -12.735
175 HH12 ARG 88 2HH1 ARG 88 14.279 -5.526 -13.893
176 HH21 ARG 88 1HH2 ARG 88 14.732 -2.481 -15.603
177 HH22 ARG 88 2HH2 ARG 88 15.170 -4.119 -15.550
178 H ARG 89 H ARG 89 13.091 1.589 -9.065
179 HA ARG 89 HA ARG 89 15.248 3.100 -10.112
180 HB2 ARG 89 2HB ARG 89 13.267 3.827 -7.938
181 HB3 ARG 89 1HB ARG 89 14.434 4.947 -8.618
182 HG2 ARG 89 2HG ARG 89 13.376 4.664 -10.830
183 HG3 ARG 89 1HG ARG 89 12.178 3.598 -10.092
184 HD2 ARG 89 2HD ARG 89 11.453 5.387 -8.631
185 HD3 ARG 89 1HD ARG 89 12.678 6.459 -9.293
186 HE ARG 89 HE ARG 89 10.547 5.338 -10.984
187 HH11 ARG 89 1HH1 ARG 89 12.381 8.153 -9.851
188 HH12 ARG 89 2HH1 ARG 89 11.450 9.290 -10.695
189 HH21 ARG 89 1HH2 ARG 89 9.234 6.899 -12.137
190 HH22 ARG 89 2HH2 ARG 89 9.582 8.562 -12.015
191 H ASN 90 H ASN 90 14.602 1.769 -6.924
192 HA ASN 90 HA ASN 90 17.034 2.791 -5.799
193 HB2 ASN 90 2HB ASN 90 15.047 0.773 -4.807
194 HB3 ASN 90 1HB ASN 90 16.555 1.030 -3.957
195 HD21 ASN 90 1HD2 ASN 90 13.457 2.277 -4.716
196 HD22 ASN 90 2HD2 ASN 90 13.505 3.613 -3.629
197 H GLY 91 H GLY 91 16.118 -0.170 -7.355
198 HA2 GLY 91 2HA GLY 91 17.787 -1.381 -8.578
199 HA3 GLY 91 1HA GLY 91 18.962 -0.906 -7.362
200 H HIS 92 H HIS 92 15.746 -2.164 -6.798
201 HA HIS 92 HA HIS 92 16.906 -4.359 -5.267
202 HB2 HIS 92 2HB HIS 92 14.004 -3.551 -5.582
203 HB3 HIS 92 1HB HIS 92 14.603 -4.731 -4.438
204 HD1 HIS 92 1HD HIS 92 16.996 -2.838 -3.342
205 HD2 HIS 92 2HD HIS 92 12.990 -1.820 -3.746
206 HE1 HIS 92 1HE HIS 92 16.594 -0.837 -1.836
207 H ASN 93 H ASN 93 15.695 -6.525 -5.613
208 HA ASN 93 HA ASN 93 15.861 -6.956 -8.469
209 HB2 ASN 93 2HB ASN 93 16.001 -8.897 -6.173
210 HB3 ASN 93 1HB ASN 93 15.806 -9.442 -7.832
211 HD21 ASN 93 1HD2 ASN 93 17.977 -8.028 -5.535
212 HD22 ASN 93 2HD2 ASN 93 19.387 -8.129 -6.526
213 H VAL 94 H VAL 94 13.986 -6.078 -9.094
214 HA VAL 94 HA VAL 94 11.722 -7.914 -9.003
215 HB VAL 94 HB VAL 94 11.404 -4.889 -8.743
216 HG11 VAL 94 1HG1 VAL 94 9.023 -5.365 -8.402
217 HG12 VAL 94 2HG1 VAL 94 9.342 -7.078 -8.660
218 HG13 VAL 94 3HG1 VAL 94 9.599 -5.928 -9.973
219 HG21 VAL 94 1HG2 VAL 94 10.507 -5.267 -6.481
220 HG22 VAL 94 2HG2 VAL 94 12.193 -5.766 -6.604
221 HG23 VAL 94 3HG2 VAL 94 10.911 -6.978 -6.619
222 H SER 95 H SER 95 11.293 -8.336 -11.141
223 HA SER 95 HA SER 95 12.229 -6.361 -13.033
224 HB2 SER 95 2HB SER 95 12.988 -8.742 -13.306
225 HB3 SER 95 1HB SER 95 11.312 -9.197 -13.601
226 HG SER 95 HG SER 95 11.775 -8.760 -15.594
227 H THR 96 H THR 96 9.470 -8.600 -13.361
228 HA THR 96 HA THR 96 7.748 -6.275 -13.597
229 HB THR 96 HB THR 96 6.635 -7.465 -15.582
230 HG1 THR 96 1HG THR 96 7.642 -9.033 -16.519
231 HG21 THR 96 1HG2 THR 96 7.872 -5.366 -15.836
232 HG22 THR 96 2HG2 THR 96 8.163 -6.426 -17.217
233 HG23 THR 96 3HG2 THR 96 9.385 -6.263 -15.950
234 H ARG 97 H ARG 97 7.771 -9.857 -13.586
235 HA ARG 97 HA ARG 97 5.318 -9.674 -12.016
236 HB2 ARG 97 2HB ARG 97 6.182 -11.768 -13.980
237 HB3 ARG 97 1HB ARG 97 5.042 -12.166 -12.708
238 HG2 ARG 97 2HG ARG 97 3.587 -10.304 -13.527
239 HG3 ARG 97 1HG ARG 97 4.707 -10.115 -14.880
240 HD2 ARG 97 2HD ARG 97 4.253 -12.326 -15.657
241 HD3 ARG 97 1HD ARG 97 3.334 -12.705 -14.207
242 HE ARG 97 HE ARG 97 2.044 -10.570 -15.282
243 HH11 ARG 97 1HH1 ARG 97 2.885 -13.810 -16.429
244 HH12 ARG 97 2HH1 ARG 97 1.530 -13.957 -17.455
245 HH21 ARG 97 1HH2 ARG 97 0.163 -10.783 -16.718
246 HH22 ARG 97 2HH2 ARG 97 -0.029 -12.212 -17.626
247 H GLY 98 H GLY 98 5.041 -11.960 -10.830
248 HA2 GLY 98 2HA GLY 98 6.014 -13.405 -9.213
249 HA3 GLY 98 1HA GLY 98 7.485 -12.432 -9.268
250 H ARG 99 H ARG 99 4.553 -10.832 -9.337
251 HA ARG 99 HA ARG 99 3.572 -9.282 -8.106
252 HB2 ARG 99 2HB ARG 99 2.938 -11.295 -6.713
253 HB3 ARG 99 1HB ARG 99 4.314 -10.959 -5.679
254 HG2 ARG 99 2HG ARG 99 3.286 -8.678 -5.282
255 HG3 ARG 99 1HG ARG 99 1.851 -9.282 -6.111
256 HD2 ARG 99 2HD ARG 99 3.096 -10.415 -3.610
257 HD3 ARG 99 1HD ARG 99 1.613 -9.476 -3.697
258 HE ARG 99 HE ARG 99 1.275 -11.647 -5.355
259 HH11 ARG 99 1HH1 ARG 99 1.692 -11.010 -1.894
260 HH12 ARG 99 2HH1 ARG 99 1.005 -12.490 -1.400
261 HH21 ARG 99 1HH2 ARG 99 0.325 -13.699 -4.652
262 HH22 ARG 99 2HH2 ARG 99 0.209 -14.033 -2.990
263 H ILE 100 H ILE 100 5.308 -9.533 -5.279
264 HA ILE 100 HA ILE 100 7.467 -7.722 -5.905
265 HB ILE 100 HB ILE 100 5.355 -6.832 -3.915
266 HG12 ILE 100 2HG1 ILE 100 5.861 -5.470 -6.565
267 HG13 ILE 100 1HG1 ILE 100 4.526 -6.587 -6.301
268 HG21 ILE 100 1HG2 ILE 100 7.603 -6.138 -3.427
269 HG22 ILE 100 2HG2 ILE 100 6.623 -4.746 -3.875
270 HG23 ILE 100 3HG2 ILE 100 7.772 -5.426 -5.033
271 HD11 ILE 100 1HD1 ILE 100 5.003 -4.089 -4.727
272 HD12 ILE 100 2HD1 ILE 100 3.602 -5.160 -4.620
273 HD13 ILE 100 3HD1 ILE 100 3.896 -4.224 -6.092
274 HA PRO 101 HA PRO 101 8.724 -10.134 -2.176
275 HB2 PRO 101 2HB PRO 101 10.627 -7.863 -2.036
276 HB3 PRO 101 1HB PRO 101 10.964 -9.605 -1.971
277 HG2 PRO 101 2HG PRO 101 11.591 -8.250 -4.126
278 HG3 PRO 101 1HG PRO 101 10.871 -9.870 -4.252
279 HD2 PRO 101 2HD PRO 101 9.594 -7.223 -4.705
280 HD3 PRO 101 1HD PRO 101 9.360 -8.762 -5.568
281 H ALA 102 H ALA 102 7.814 -9.952 -0.337
282 HA ALA 102 HA ALA 102 6.317 -7.756 0.518
283 HB1 ALA 102 1HB ALA 102 7.459 -9.980 2.191
284 HB2 ALA 102 2HB ALA 102 5.931 -10.032 1.310
285 HB3 ALA 102 3HB ALA 102 6.137 -8.912 2.657
286 H ASP 103 H ASP 103 9.589 -8.684 1.086
287 HA ASP 103 HA ASP 103 10.261 -6.824 3.092
288 HB2 ASP 103 2HB ASP 103 12.025 -7.979 0.919
289 HB3 ASP 103 1HB ASP 103 12.603 -7.140 2.349
290 H VAL 104 H VAL 104 10.113 -6.635 -0.412
291 HA VAL 104 HA VAL 104 11.246 -4.014 -0.561
292 HB VAL 104 HB VAL 104 9.734 -5.718 -2.561
293 HG11 VAL 104 1HG1 VAL 104 10.170 -3.995 -4.263
294 HG12 VAL 104 2HG1 VAL 104 10.765 -2.906 -3.000
295 HG13 VAL 104 3HG1 VAL 104 9.075 -3.440 -2.999
296 HG21 VAL 104 1HG2 VAL 104 12.059 -6.287 -2.096
297 HG22 VAL 104 2HG2 VAL 104 12.546 -4.639 -2.497
298 HG23 VAL 104 3HG2 VAL 104 11.866 -5.681 -3.743
299 H ILE 105 H ILE 105 8.010 -5.300 -0.380
300 HA ILE 105 HA ILE 105 6.604 -2.874 -0.711
301 HB ILE 105 HB ILE 105 5.818 -5.340 0.884
302 HG12 ILE 105 2HG1 ILE 105 5.146 -4.485 -1.927
303 HG13 ILE 105 1HG1 ILE 105 6.326 -5.702 -1.508
304 HG21 ILE 105 1HG2 ILE 105 3.502 -4.554 0.644
305 HG22 ILE 105 2HG2 ILE 105 4.080 -3.083 -0.137
306 HG23 ILE 105 3HG2 ILE 105 4.476 -3.399 1.555
307 HD11 ILE 105 1HD1 ILE 105 4.201 -6.695 -2.226
308 HD12 ILE 105 2HD1 ILE 105 3.376 -5.859 -0.910
309 HD13 ILE 105 3HD1 ILE 105 4.564 -7.105 -0.551
310 H ASP 106 H ASP 106 7.855 -4.504 2.152
311 HA ASP 106 HA ASP 106 7.025 -2.664 4.135
312 HB2 ASP 106 2HB ASP 106 7.849 -4.838 4.783
313 HB3 ASP 106 1HB ASP 106 9.379 -4.558 3.974
314 H ALA 107 H ALA 107 9.903 -2.873 2.168
315 HA ALA 107 HA ALA 107 11.233 -0.652 3.230
316 HB1 ALA 107 1HB ALA 107 12.627 -0.781 1.259
317 HB2 ALA 107 2HB ALA 107 11.406 -1.790 0.457
318 HB3 ALA 107 3HB ALA 107 12.273 -2.409 1.853
319 H TYR 108 H TYR 108 9.016 -0.939 0.483
320 HA TYR 108 HA TYR 108 9.065 1.734 -0.377
321 HB2 TYR 108 2HB TYR 108 8.108 -0.036 -1.736
322 HB3 TYR 108 1HB TYR 108 6.857 -0.334 -0.541
323 HD1 TYR 108 1HD TYR 108 8.008 1.911 -3.208
324 HD2 TYR 108 2HD TYR 108 4.891 1.120 -0.422
325 HE1 TYR 108 1HE TYR 108 6.536 3.450 -4.429
326 HE2 TYR 108 2HE TYR 108 3.412 2.661 -1.630
327 HH TYR 108 HH TYR 108 3.559 4.539 -3.143
328 H HIS 109 H HIS 109 7.025 0.101 1.969
329 HA HIS 109 HA HIS 109 5.463 2.395 2.562
330 HB2 HIS 109 2HB HIS 109 5.776 -0.290 3.852
331 HB3 HIS 109 1HB HIS 109 4.829 0.941 4.666
332 HD1 HIS 109 1HD HIS 109 2.373 0.830 4.063
333 HD2 HIS 109 2HD HIS 109 4.780 -0.720 1.056
334 HE1 HIS 109 1HE HIS 109 0.815 -0.003 2.259
335 H ALA 110 H ALA 110 8.450 1.188 3.805
336 HA ALA 110 HA ALA 110 8.471 2.991 6.043
337 HB1 ALA 110 1HB ALA 110 10.731 1.376 4.866
338 HB2 ALA 110 2HB ALA 110 9.639 0.829 6.136
339 HB3 ALA 110 3HB ALA 110 10.737 2.177 6.436
340 H ALA 111 H ALA 111 9.800 2.959 2.799
341 HA ALA 111 HA ALA 111 11.517 5.179 3.144
342 HB1 ALA 111 1HB ALA 111 11.851 3.503 1.400
343 HB2 ALA 111 2HB ALA 111 11.762 5.141 0.744
344 HB3 ALA 111 3HB ALA 111 10.378 4.056 0.599
345 H ASP 112 H ASP 112 11.160 7.212 3.118
346 HA ASP 112 HA ASP 112 9.178 8.463 1.536
347 HB2 ASP 112 2HB ASP 112 7.728 7.977 3.435
348 HB3 ASP 112 1HB ASP 112 8.940 8.577 4.558