Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651643 | 7jn6 RC | 30783 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H ALA 1 -8.025 -12.109 -10.078
2 HA ALA 1 HA ALA 1 -5.831 -11.662 -8.783
3 HB1 ALA 1 1HB ALA 1 -4.803 -11.912 -11.610
4 HB2 ALA 1 2HB ALA 1 -4.480 -13.051 -10.306
5 HB3 ALA 1 3HB ALA 1 -3.870 -11.398 -10.204
6 H HIS 2 H HIS 2 -7.139 -9.881 -8.392
7 HA HIS 2 HA HIS 2 -6.873 -7.753 -10.415
8 HB2 HIS 2 2HB HIS 2 -9.126 -8.159 -8.431
9 HB3 HIS 2 1HB HIS 2 -8.931 -6.729 -9.425
10 HD1 HIS 2 1HD HIS 2 -11.277 -9.055 -9.397
11 HD2 HIS 2 2HD HIS 2 -8.408 -8.254 -12.282
12 HE1 HIS 2 1HE HIS 2 -12.196 -9.965 -11.561
13 H CYS 3 H CYS 3 -6.028 -5.834 -9.729
14 HA CYS 3 HA CYS 3 -4.915 -5.805 -7.050
15 HB2 CYS 3 2HB CYS 3 -4.545 -3.944 -9.421
16 HB3 CYS 3 1HB CYS 3 -3.762 -3.725 -7.862
17 H ASP 4 H ASP 4 -7.794 -5.387 -7.850
18 HA ASP 4 HA ASP 4 -8.331 -2.667 -7.017
19 HB2 ASP 4 2HB ASP 4 -10.041 -4.880 -8.095
20 HB3 ASP 4 1HB ASP 4 -10.793 -3.535 -7.260
21 H HIS 5 H HIS 5 -7.551 -5.300 -5.285
22 HA HIS 5 HA HIS 5 -9.595 -4.882 -3.212
23 HB2 HIS 5 2HB HIS 5 -7.564 -7.103 -3.425
24 HB3 HIS 5 1HB HIS 5 -8.937 -7.009 -2.343
25 HD1 HIS 5 1HD HIS 5 -7.876 -8.269 -5.615
26 HD2 HIS 5 2HD HIS 5 -11.459 -7.385 -3.705
27 HE1 HIS 5 1HE HIS 5 -9.650 -9.592 -6.830
28 H PHE 6 H PHE 6 -8.871 -4.367 -1.117
29 HA PHE 6 HA PHE 6 -6.089 -3.556 -0.864
30 HB2 PHE 6 2HB PHE 6 -8.435 -3.301 1.040
31 HB3 PHE 6 1HB PHE 6 -6.798 -2.835 1.450
32 HD1 PHE 6 1HD PHE 6 -5.723 -0.899 0.172
33 HD2 PHE 6 2HD PHE 6 -9.878 -1.863 -0.092
34 HE1 PHE 6 1HE PHE 6 -6.207 1.362 -0.622
35 HE2 PHE 6 2HE PHE 6 -10.342 0.403 -0.898
36 HZ PHE 6 HZ PHE 6 -8.505 2.020 -1.159
37 H LEU 7 H LEU 7 -4.666 -4.808 0.072
38 HA LEU 7 HA LEU 7 -5.550 -7.331 1.252
39 HB2 LEU 7 2HB LEU 7 -2.761 -6.315 0.727
40 HB3 LEU 7 1HB LEU 7 -3.174 -7.927 1.271
41 HG LEU 7 HG LEU 7 -3.793 -6.712 -1.414
42 HD11 LEU 7 1HD1 LEU 7 -1.504 -7.365 -1.174
43 HD12 LEU 7 2HD1 LEU 7 -2.333 -8.519 -2.224
44 HD13 LEU 7 3HD1 LEU 7 -1.978 -8.941 -0.551
45 HD21 LEU 7 1HD2 LEU 7 -4.700 -8.922 -1.992
46 HD22 LEU 7 2HD2 LEU 7 -5.641 -8.120 -0.740
47 HD23 LEU 7 3HD2 LEU 7 -4.529 -9.419 -0.308
48 H GLY 8 H GLY 8 -3.900 -4.360 2.069
49 HA2 GLY 8 2HA GLY 8 -4.673 -4.303 4.679
50 HA3 GLY 8 1HA GLY 8 -3.121 -5.137 4.647
51 H GLU 9 H GLU 9 -2.047 -3.534 5.687
52 HA GLU 9 HA GLU 9 -1.674 -1.028 4.206
53 HB2 GLU 9 2HB GLU 9 -1.958 -1.323 7.193
54 HB3 GLU 9 1HB GLU 9 -1.589 0.159 6.334
55 HG2 GLU 9 2HG GLU 9 -3.787 0.133 5.310
56 HG3 GLU 9 1HG GLU 9 -4.150 -1.400 6.104
57 H ALA 10 H ALA 10 0.381 -0.188 4.438
58 HA ALA 10 HA ALA 10 2.294 -1.853 5.899
59 HB1 ALA 10 1HB ALA 10 2.754 -0.363 3.305
60 HB2 ALA 10 2HB ALA 10 2.627 -2.117 3.491
61 HB3 ALA 10 3HB ALA 10 3.979 -1.247 4.215
62 HA PRO 11 HA PRO 11 3.098 2.025 7.916
63 HB2 PRO 11 2HB PRO 11 5.233 1.278 9.401
64 HB3 PRO 11 1HB PRO 11 3.592 0.757 9.795
65 HG2 PRO 11 2HG PRO 11 5.783 -0.749 8.447
66 HG3 PRO 11 1HG PRO 11 4.554 -1.326 9.586
67 HD2 PRO 11 2HD PRO 11 4.463 -1.663 6.845
68 HD3 PRO 11 1HD PRO 11 3.060 -1.731 7.927
69 H VAL 12 H VAL 12 3.752 3.268 6.153
70 HA VAL 12 HA VAL 12 6.666 3.347 5.697
71 HB VAL 12 HB VAL 12 4.572 3.946 3.585
72 HG11 VAL 12 1HG1 VAL 12 7.559 3.629 3.338
73 HG12 VAL 12 2HG1 VAL 12 6.688 5.153 3.323
74 HG13 VAL 12 3HG1 VAL 12 6.438 3.984 2.021
75 HG21 VAL 12 1HG2 VAL 12 6.300 1.494 3.875
76 HG22 VAL 12 2HG2 VAL 12 5.265 1.857 2.495
77 HG23 VAL 12 3HG2 VAL 12 4.552 1.563 4.081
78 H TYR 13 H TYR 13 7.363 5.211 6.591
79 HA TYR 13 HA TYR 13 6.017 7.624 5.758
80 HB2 TYR 13 2HB TYR 13 5.172 6.975 8.089
81 HB3 TYR 13 1HB TYR 13 6.813 7.278 8.660
82 HD1 TYR 13 1HD TYR 13 7.781 9.601 8.401
83 HD2 TYR 13 2HD TYR 13 3.678 8.757 7.702
84 HE1 TYR 13 1HE TYR 13 7.276 11.987 8.527
85 HE2 TYR 13 2HE TYR 13 3.160 11.141 7.842
86 HH TYR 13 HH TYR 13 4.155 13.193 8.832
87 HA PRO 14 HA PRO 14 6.422 9.586 5.268
88 HB2 PRO 14 2HB PRO 14 8.073 10.417 2.999
89 HB3 PRO 14 1HB PRO 14 7.332 11.403 4.267
90 HG2 PRO 14 2HG PRO 14 10.014 11.028 4.082
91 HG3 PRO 14 1HG PRO 14 9.170 11.322 5.611
92 HD2 PRO 14 2HD PRO 14 10.143 8.740 4.448
93 HD3 PRO 14 1HD PRO 14 10.213 9.317 6.128
94 H CYS 15 H CYS 15 5.044 9.207 3.490
95 HA CYS 15 HA CYS 15 5.601 6.600 2.351
96 HB2 CYS 15 2HB CYS 15 3.518 7.041 3.714
97 HB3 CYS 15 1HB CYS 15 2.972 8.075 2.399
98 H LYS 16 H LYS 16 6.573 6.714 0.487
99 HA LYS 16 HA LYS 16 5.637 8.649 -1.497
100 HB2 LYS 16 2HB LYS 16 8.039 6.801 -1.501
101 HB3 LYS 16 1HB LYS 16 7.523 7.702 -2.906
102 HG2 LYS 16 2HG LYS 16 9.345 8.867 -1.938
103 HG3 LYS 16 1HG LYS 16 7.887 9.787 -1.599
104 HD2 LYS 16 2HD LYS 16 7.786 8.968 0.592
105 HD3 LYS 16 1HD LYS 16 9.129 7.854 0.328
106 HE2 LYS 16 2HE LYS 16 9.272 10.887 0.305
107 HE3 LYS 16 1HE LYS 16 9.932 9.831 1.547
108 HZ1 LYS 16 1HZ LYS 16 11.700 10.522 0.070
109 HZ2 LYS 16 2HZ LYS 16 10.851 10.053 -1.274
110 HZ3 LYS 16 3HZ LYS 16 11.420 8.880 -0.192
111 H GLU 17 H GLU 17 4.618 7.991 -3.202
112 HA GLU 17 HA GLU 17 2.979 5.787 -3.270
113 HB2 GLU 17 2HB GLU 17 2.833 6.139 -5.789
114 HB3 GLU 17 1HB GLU 17 2.477 7.536 -4.783
115 HG2 GLU 17 2HG GLU 17 4.642 8.478 -5.224
116 HG3 GLU 17 1HG GLU 17 5.144 7.004 -6.039
117 H LYS 18 H LYS 18 6.142 5.979 -4.881
118 HA LYS 18 HA LYS 18 5.951 3.345 -5.941
119 HB2 LYS 18 2HB LYS 18 8.297 5.220 -5.696
120 HB3 LYS 18 1HB LYS 18 8.323 3.697 -6.573
121 HG2 LYS 18 2HG LYS 18 6.649 4.507 -8.114
122 HG3 LYS 18 1HG LYS 18 6.481 6.002 -7.198
123 HD2 LYS 18 2HD LYS 18 8.812 6.561 -7.696
124 HD3 LYS 18 1HD LYS 18 8.974 5.063 -8.613
125 HE2 LYS 18 2HE LYS 18 8.596 6.950 -10.105
126 HE3 LYS 18 1HE LYS 18 7.252 5.823 -10.165
127 HZ1 LYS 18 1HZ LYS 18 6.558 8.148 -10.106
128 HZ2 LYS 18 2HZ LYS 18 7.296 8.381 -8.646
129 HZ3 LYS 18 3HZ LYS 18 5.947 7.366 -8.751
130 H ALA 19 H ALA 19 7.485 4.753 -3.118
131 HA ALA 19 HA ALA 19 8.877 2.401 -2.310
132 HB1 ALA 19 1HB ALA 19 9.128 3.514 -0.145
133 HB2 ALA 19 2HB ALA 19 7.919 4.712 -0.604
134 HB3 ALA 19 3HB ALA 19 9.465 4.649 -1.451
135 H CYS 20 H CYS 20 5.706 3.715 -1.610
136 HA CYS 20 HA CYS 20 4.843 1.885 0.311
137 HB2 CYS 20 2HB CYS 20 3.639 3.958 -0.223
138 HB3 CYS 20 1HB CYS 20 3.281 3.352 -1.832
139 H LYS 21 H LYS 21 4.497 1.854 -3.215
140 HA LYS 21 HA LYS 21 3.175 -0.571 -3.569
141 HB2 LYS 21 2HB LYS 21 3.666 1.261 -5.250
142 HB3 LYS 21 1HB LYS 21 5.283 0.599 -5.385
143 HG2 LYS 21 2HG LYS 21 4.361 -1.499 -6.219
144 HG3 LYS 21 1HG LYS 21 2.731 -0.842 -6.028
145 HD2 LYS 21 2HD LYS 21 3.400 1.017 -7.576
146 HD3 LYS 21 1HD LYS 21 4.897 0.142 -7.882
147 HE2 LYS 21 2HE LYS 21 2.098 -0.837 -8.443
148 HE3 LYS 21 1HE LYS 21 3.249 -0.268 -9.645
149 HZ1 LYS 21 1HZ LYS 21 4.698 -2.180 -8.961
150 HZ2 LYS 21 2HZ LYS 21 3.258 -2.594 -9.680
151 HZ3 LYS 21 3HZ LYS 21 3.399 -2.762 -8.026
152 H SER 22 H SER 22 6.530 0.145 -3.071
153 HA SER 22 HA SER 22 7.511 -2.469 -3.653
154 HB2 SER 22 2HB SER 22 8.794 -0.090 -2.319
155 HB3 SER 22 1HB SER 22 9.676 -1.505 -2.876
156 HG SER 22 HG SER 22 8.266 0.432 -4.406
157 H VAL 23 H VAL 23 6.936 -0.633 -0.640
158 HA VAL 23 HA VAL 23 7.853 -2.688 1.092
159 HB VAL 23 HB VAL 23 6.006 -0.346 1.712
160 HG11 VAL 23 1HG1 VAL 23 5.825 -2.070 3.418
161 HG12 VAL 23 2HG1 VAL 23 6.686 -0.668 4.053
162 HG13 VAL 23 3HG1 VAL 23 7.578 -2.115 3.583
163 HG21 VAL 23 1HG2 VAL 23 8.981 -0.648 2.066
164 HG22 VAL 23 2HG2 VAL 23 8.021 0.732 2.596
165 HG23 VAL 23 3HG2 VAL 23 8.173 0.369 0.876
166 H CYS 24 H CYS 24 4.706 -1.887 -0.246
167 HA CYS 24 HA CYS 24 3.184 -3.639 1.220
168 HB2 CYS 24 2HB CYS 24 2.880 -2.595 -1.568
169 HB3 CYS 24 1HB CYS 24 1.727 -3.749 -0.896
170 H LYS 25 H LYS 25 5.227 -4.345 -1.573
171 HA LYS 25 HA LYS 25 4.319 -7.042 -1.798
172 HB2 LYS 25 2HB LYS 25 6.863 -5.766 -2.788
173 HB3 LYS 25 1HB LYS 25 6.363 -7.408 -3.146
174 HG2 LYS 25 2HG LYS 25 4.322 -6.467 -4.240
175 HG3 LYS 25 1HG LYS 25 5.003 -4.857 -3.997
176 HD2 LYS 25 2HD LYS 25 5.516 -5.605 -6.243
177 HD3 LYS 25 1HD LYS 25 7.005 -5.551 -5.298
178 HE2 LYS 25 2HE LYS 25 6.784 -8.019 -4.916
179 HE3 LYS 25 1HE LYS 25 5.370 -8.011 -5.964
180 HZ1 LYS 25 1HZ LYS 25 8.134 -7.279 -6.744
181 HZ2 LYS 25 2HZ LYS 25 6.794 -7.272 -7.775
182 HZ3 LYS 25 3HZ LYS 25 7.344 -8.713 -7.113
183 H GLU 26 H GLU 26 6.522 -5.457 0.251
184 HA GLU 26 HA GLU 26 8.114 -7.710 1.012
185 HB2 GLU 26 2HB GLU 26 7.567 -5.117 2.472
186 HB3 GLU 26 1HB GLU 26 8.791 -6.295 2.913
187 HG2 GLU 26 2HG GLU 26 8.717 -4.771 0.332
188 HG3 GLU 26 1HG GLU 26 9.691 -4.346 1.741
189 H HIS 27 H HIS 27 5.399 -5.967 2.411
190 HA HIS 27 HA HIS 27 5.147 -7.869 4.558
191 HB2 HIS 27 2HB HIS 27 3.341 -5.578 3.739
192 HB3 HIS 27 1HB HIS 27 3.031 -6.595 5.138
193 HD1 HIS 27 1HD HIS 27 4.155 -5.837 7.326
194 HD2 HIS 27 2HD HIS 27 5.808 -4.102 3.927
195 HE1 HIS 27 1HE HIS 27 5.834 -4.180 8.154
196 H TYR 28 H TYR 28 3.300 -7.170 1.625
197 HA TYR 28 HA TYR 28 1.902 -9.716 1.988
198 HB2 TYR 28 2HB TYR 28 0.990 -7.267 0.451
199 HB3 TYR 28 1HB TYR 28 0.038 -8.716 0.763
200 HD1 TYR 28 1HD TYR 28 -0.733 -9.163 3.125
201 HD2 TYR 28 2HD TYR 28 1.095 -5.490 2.007
202 HE1 TYR 28 1HE TYR 28 -1.590 -8.122 5.159
203 HE2 TYR 28 2HE TYR 28 0.239 -4.438 4.047
204 HH TYR 28 HH TYR 28 -1.005 -6.216 6.604
205 H HIS 29 H HIS 29 2.882 -11.115 0.638
206 HA HIS 29 HA HIS 29 4.605 -10.172 -1.416
207 HB2 HIS 29 2HB HIS 29 3.785 -12.995 -0.757
208 HB3 HIS 29 1HB HIS 29 4.992 -12.571 -1.965
209 HD1 HIS 29 1HD HIS 29 6.393 -10.288 -0.160
210 HD2 HIS 29 2HD HIS 29 5.492 -14.181 1.003
211 HE1 HIS 29 1HE HIS 29 7.950 -10.826 1.720
212 H HIS 30 H HIS 30 1.314 -11.024 -1.427
213 HA HIS 30 HA HIS 30 1.381 -11.328 -4.322
214 HB2 HIS 30 2HB HIS 30 -0.901 -11.762 -2.384
215 HB3 HIS 30 1HB HIS 30 -0.989 -12.029 -4.115
216 HD1 HIS 30 1HD HIS 30 -0.363 -13.809 -1.045
217 HD2 HIS 30 2HD HIS 30 0.943 -14.082 -4.971
218 HE1 HIS 30 1HE HIS 30 0.570 -16.145 -1.301
219 H ALA 31 H ALA 31 1.651 -8.812 -2.592
220 HA ALA 31 HA ALA 31 -0.570 -7.225 -3.530
221 HB1 ALA 31 1HB ALA 31 2.004 -6.378 -2.186
222 HB2 ALA 31 2HB ALA 31 0.454 -6.643 -1.384
223 HB3 ALA 31 3HB ALA 31 0.636 -5.324 -2.537
224 H CYS 32 H CYS 32 -0.478 -5.780 -5.145
225 HA CYS 32 HA CYS 32 1.850 -6.001 -6.901
226 HB2 CYS 32 2HB CYS 32 0.087 -5.432 -8.721
227 HB3 CYS 32 1HB CYS 32 0.130 -7.068 -8.064
228 H LYS 33 H LYS 33 -0.681 -3.803 -5.713
229 HA LYS 33 HA LYS 33 1.082 -1.625 -6.539
230 HB2 LYS 33 2HB LYS 33 -0.969 -1.591 -7.911
231 HB3 LYS 33 1HB LYS 33 -1.967 -1.561 -6.474
232 HG2 LYS 33 2HG LYS 33 -0.855 0.601 -5.855
233 HG3 LYS 33 1HG LYS 33 -0.090 0.582 -7.436
234 HD2 LYS 33 2HD LYS 33 -2.240 0.735 -8.522
235 HD3 LYS 33 1HD LYS 33 -3.076 0.561 -6.971
236 HE2 LYS 33 2HE LYS 33 -1.962 2.607 -6.175
237 HE3 LYS 33 1HE LYS 33 -1.222 2.802 -7.756
238 HZ1 LYS 33 1HZ LYS 33 -3.206 4.173 -7.327
239 HZ2 LYS 33 2HZ LYS 33 -4.167 2.786 -7.323
240 HZ3 LYS 33 3HZ LYS 33 -3.337 3.237 -8.714
241 H GLY 34 H GLY 34 1.163 0.197 -5.067
242 HA2 GLY 34 2HA GLY 34 -0.219 -0.073 -2.532
243 HA3 GLY 34 1HA GLY 34 1.536 0.145 -2.530
244 H GLU 35 H GLU 35 -0.790 1.965 -1.768
245 HA GLU 35 HA GLU 35 0.307 4.265 -3.169
246 HB2 GLU 35 2HB GLU 35 -1.744 3.453 -4.433
247 HB3 GLU 35 1HB GLU 35 -2.680 3.899 -3.013
248 HG2 GLU 35 2HG GLU 35 -1.881 6.191 -3.222
249 HG3 GLU 35 1HG GLU 35 -1.014 5.747 -4.689
250 H CYS 36 H CYS 36 0.165 6.135 -2.015
251 HA CYS 36 HA CYS 36 -0.337 5.787 0.822
252 HB2 CYS 36 2HB CYS 36 0.909 8.080 -0.687
253 HB3 CYS 36 1HB CYS 36 0.943 7.824 1.057
254 H GLU 37 H GLU 37 -2.103 6.602 1.780
255 HA GLU 37 HA GLU 37 -3.487 8.874 0.550
256 HB2 GLU 37 2HB GLU 37 -4.878 6.396 1.581
257 HB3 GLU 37 1HB GLU 37 -5.669 7.854 1.013
258 HG2 GLU 37 2HG GLU 37 -4.631 7.434 -1.219
259 HG3 GLU 37 1HG GLU 37 -4.085 5.880 -0.596
260 H TYR 38 H TYR 38 -4.539 10.182 2.067
261 HA TYR 38 HA TYR 38 -3.586 9.793 4.764
262 HB2 TYR 38 2HB TYR 38 -4.938 12.124 3.412
263 HB3 TYR 38 1HB TYR 38 -4.708 12.061 5.155
264 HD1 TYR 38 1HD TYR 38 -3.041 12.426 1.917
265 HD2 TYR 38 2HD TYR 38 -2.497 12.252 6.125
266 HE1 TYR 38 1HE TYR 38 -0.784 13.298 1.657
267 HE2 TYR 38 2HE TYR 38 -0.229 13.128 5.882
268 HH TYR 38 HH TYR 38 0.897 14.552 3.071
269 H HIS 39 H HIS 39 -4.685 9.036 6.307
270 HA HIS 39 HA HIS 39 -7.593 9.038 6.133
271 HB2 HIS 39 2HB HIS 39 -5.792 6.718 6.783
272 HB3 HIS 39 1HB HIS 39 -7.366 6.828 7.561
273 HD1 HIS 39 1HD HIS 39 -7.204 8.010 4.027
274 HD2 HIS 39 2HD HIS 39 -8.161 4.547 6.119
275 HE1 HIS 39 1HE HIS 39 -8.411 6.537 2.396
276 H GLY 40 H GLY 40 -8.290 10.301 7.596
277 HA2 GLY 40 2HA GLY 40 -8.496 11.265 9.666
278 HA3 GLY 40 1HA GLY 40 -7.172 10.245 10.247
279 H ARG 41 H ARG 41 -5.158 11.018 10.292
280 HA ARG 41 HA ARG 41 -4.708 13.594 8.964
281 HB2 ARG 41 2HB ARG 41 -3.655 12.844 11.694
282 HB3 ARG 41 1HB ARG 41 -3.298 14.320 10.811
283 HG2 ARG 41 2HG ARG 41 -5.950 13.475 11.943
284 HG3 ARG 41 1HG ARG 41 -4.946 14.820 12.474
285 HD2 ARG 41 2HD ARG 41 -6.421 14.542 9.860
286 HD3 ARG 41 1HD ARG 41 -6.766 15.664 11.164
287 HE ARG 41 HE ARG 41 -4.626 16.732 10.652
288 HH11 ARG 41 1HH1 ARG 41 -6.085 14.706 8.082
289 HH12 ARG 41 2HH1 ARG 41 -5.387 15.599 6.815
290 HH21 ARG 41 1HH2 ARG 41 -3.704 17.914 8.890
291 HH22 ARG 41 2HH2 ARG 41 -4.017 17.456 7.269
292 H GLU 42 H GLU 42 -3.367 10.528 9.918
293 HA GLU 42 HA GLU 42 -0.773 11.173 8.801
294 HB2 GLU 42 2HB GLU 42 -1.864 8.614 9.944
295 HB3 GLU 42 1HB GLU 42 -0.223 8.829 9.364
296 HG2 GLU 42 2HG GLU 42 0.170 10.503 11.076
297 HG3 GLU 42 1HG GLU 42 -1.489 10.314 11.647
298 H VAL 43 H VAL 43 0.191 9.818 7.192
299 HA VAL 43 HA VAL 43 -1.743 9.106 5.152
300 HB VAL 43 HB VAL 43 0.043 10.699 4.498
301 HG11 VAL 43 1HG1 VAL 43 2.344 9.957 4.204
302 HG12 VAL 43 2HG1 VAL 43 1.935 8.435 4.994
303 HG13 VAL 43 3HG1 VAL 43 1.854 9.950 5.904
304 HG21 VAL 43 1HG2 VAL 43 0.205 8.040 3.104
305 HG22 VAL 43 2HG2 VAL 43 0.762 9.576 2.435
306 HG23 VAL 43 3HG2 VAL 43 -0.952 9.331 2.777
307 H HIS 44 H HIS 44 -2.107 7.110 4.602
308 HA HIS 44 HA HIS 44 -0.543 5.019 5.919
309 HB2 HIS 44 2HB HIS 44 -3.444 5.096 5.069
310 HB3 HIS 44 1HB HIS 44 -2.629 3.627 5.570
311 HD1 HIS 44 1HD HIS 44 -3.579 3.089 7.821
312 HD2 HIS 44 2HD HIS 44 -2.732 7.142 7.417
313 HE1 HIS 44 1HE HIS 44 -4.068 4.122 10.054
314 H CYS 45 H CYS 45 0.259 3.406 4.723
315 HA CYS 45 HA CYS 45 0.211 3.674 1.839
316 HB2 CYS 45 2HB CYS 45 2.373 3.375 2.905
317 HB3 CYS 45 1HB CYS 45 1.793 1.971 3.779
318 H HIS 46 H HIS 46 -1.509 2.718 0.890
319 HA HIS 46 HA HIS 46 -2.686 0.416 2.187
320 HB2 HIS 46 2HB HIS 46 -3.709 2.188 -0.041
321 HB3 HIS 46 1HB HIS 46 -4.566 0.795 0.610
322 HD1 HIS 46 1HD HIS 46 -5.458 3.972 0.758
323 HD2 HIS 46 2HD HIS 46 -3.965 1.538 3.795
324 HE1 HIS 46 1HE HIS 46 -6.210 4.990 2.916
325 H CYS 47 H CYS 47 -2.437 -1.505 1.463
326 HA CYS 47 HA CYS 47 -0.855 -1.879 -0.942
327 HB2 CYS 47 2HB CYS 47 -1.568 -3.784 1.276
328 HB3 CYS 47 1HB CYS 47 -0.437 -4.099 -0.041
329 H TYR 48 H TYR 48 -1.734 -2.516 -2.737
330 HA TYR 48 HA TYR 48 -4.460 -3.599 -2.753
331 HB2 TYR 48 2HB TYR 48 -2.826 -2.398 -4.976
332 HB3 TYR 48 1HB TYR 48 -4.505 -2.889 -5.086
333 HD1 TYR 48 1HD TYR 48 -6.255 -1.426 -4.310
334 HD2 TYR 48 2HD TYR 48 -2.179 -0.403 -3.730
335 HE1 TYR 48 1HE TYR 48 -6.911 0.870 -3.737
336 HE2 TYR 48 2HE TYR 48 -2.809 1.864 -3.151
337 HH TYR 48 HH TYR 48 -5.941 2.795 -2.439
338 H GLY 49 H GLY 49 -4.782 -5.523 -3.738
339 HA2 GLY 49 2HA GLY 49 -3.041 -6.742 -5.544
340 HA3 GLY 49 1HA GLY 49 -2.717 -7.372 -3.929
341 H ASP 50 H ASP 50 -3.523 -9.295 -5.269
342 HA ASP 50 HA ASP 50 -6.430 -9.347 -5.239
343 HB2 ASP 50 2HB ASP 50 -5.188 -10.221 -7.224
344 HB3 ASP 50 1HB ASP 50 -4.506 -11.472 -6.186
345 H TYR 51 H TYR 51 -7.471 -10.232 -3.592
346 HA TYR 51 HA TYR 51 -5.828 -11.428 -1.544
347 HB2 TYR 51 2HB TYR 51 -7.541 -9.657 -0.974
348 HB3 TYR 51 1HB TYR 51 -8.790 -10.826 -1.393
349 HD1 TYR 51 1HD TYR 51 -6.382 -9.783 1.119
350 HD2 TYR 51 2HD TYR 51 -9.060 -12.895 -0.001
351 HE1 TYR 51 1HE TYR 51 -6.254 -10.703 3.382
352 HE2 TYR 51 2HE TYR 51 -8.932 -13.817 2.263
353 HH TYR 51 HH TYR 51 -7.609 -12.134 4.864
354 H HIS 52 H HIS 52 -5.462 -13.464 -1.699
355 HA HIS 52 HA HIS 52 -7.693 -15.225 -2.014
356 HB2 HIS 52 2HB HIS 52 -6.303 -16.791 -3.459
357 HB3 HIS 52 1HB HIS 52 -6.811 -15.318 -4.259
358 HD1 HIS 52 1HD HIS 52 -3.838 -17.346 -3.525
359 HD2 HIS 52 2HD HIS 52 -4.658 -13.422 -4.605
360 HE1 HIS 52 1HE HIS 52 -1.667 -16.398 -4.376
Start of MODEL 2
1 H1 ALA 1 H ALA 1 -3.046 -9.890 -10.736
2 HA ALA 1 HA ALA 1 -5.121 -9.979 -12.502
3 HB1 ALA 1 1HB ALA 1 -6.332 -11.502 -11.016
4 HB2 ALA 1 2HB ALA 1 -7.172 -9.953 -11.090
5 HB3 ALA 1 3HB ALA 1 -6.181 -10.353 -9.690
6 H HIS 2 H HIS 2 -6.875 -8.023 -11.563
7 HA HIS 2 HA HIS 2 -5.098 -5.814 -11.123
8 HB2 HIS 2 2HB HIS 2 -8.138 -5.889 -11.101
9 HB3 HIS 2 1HB HIS 2 -7.180 -4.423 -10.968
10 HD1 HIS 2 1HD HIS 2 -6.115 -3.509 -13.203
11 HD2 HIS 2 2HD HIS 2 -8.312 -7.015 -13.604
12 HE1 HIS 2 1HE HIS 2 -6.476 -3.813 -15.659
13 H CYS 3 H CYS 3 -5.166 -4.413 -9.267
14 HA CYS 3 HA CYS 3 -5.400 -6.041 -6.867
15 HB2 CYS 3 2HB CYS 3 -4.084 -3.348 -7.142
16 HB3 CYS 3 1HB CYS 3 -3.827 -4.564 -5.898
17 H ASP 4 H ASP 4 -7.720 -5.786 -6.627
18 HA ASP 4 HA ASP 4 -8.463 -3.071 -5.763
19 HB2 ASP 4 2HB ASP 4 -10.254 -5.165 -7.012
20 HB3 ASP 4 1HB ASP 4 -10.815 -3.655 -6.315
21 H HIS 5 H HIS 5 -7.527 -5.784 -4.501
22 HA HIS 5 HA HIS 5 -9.631 -5.876 -2.460
23 HB2 HIS 5 2HB HIS 5 -9.023 -8.028 -3.613
24 HB3 HIS 5 1HB HIS 5 -7.404 -7.865 -2.957
25 HD1 HIS 5 1HD HIS 5 -7.167 -8.226 -0.315
26 HD2 HIS 5 2HD HIS 5 -10.920 -8.985 -1.906
27 HE1 HIS 5 1HE HIS 5 -8.405 -9.532 1.440
28 H PHE 6 H PHE 6 -9.181 -4.645 -0.783
29 HA PHE 6 HA PHE 6 -6.579 -3.699 -0.141
30 HB2 PHE 6 2HB PHE 6 -8.478 -2.318 0.406
31 HB3 PHE 6 1HB PHE 6 -9.231 -3.613 1.319
32 HD1 PHE 6 1HD PHE 6 -6.412 -1.154 1.354
33 HD2 PHE 6 2HD PHE 6 -8.771 -3.923 3.591
34 HE1 PHE 6 1HE PHE 6 -5.464 -0.293 3.438
35 HE2 PHE 6 2HE PHE 6 -7.808 -3.050 5.679
36 HZ PHE 6 HZ PHE 6 -6.154 -1.231 5.600
37 H LEU 7 H LEU 7 -5.062 -4.706 0.960
38 HA LEU 7 HA LEU 7 -5.729 -7.191 2.345
39 HB2 LEU 7 2HB LEU 7 -3.053 -6.042 1.571
40 HB3 LEU 7 1HB LEU 7 -3.306 -7.603 2.324
41 HG LEU 7 HG LEU 7 -4.259 -6.809 -0.429
42 HD11 LEU 7 1HD1 LEU 7 -1.879 -7.045 -0.345
43 HD12 LEU 7 2HD1 LEU 7 -2.578 -8.437 -1.180
44 HD13 LEU 7 3HD1 LEU 7 -2.020 -8.591 0.484
45 HD21 LEU 7 1HD2 LEU 7 -4.355 -9.464 0.988
46 HD22 LEU 7 2HD2 LEU 7 -4.843 -9.155 -0.678
47 HD23 LEU 7 3HD2 LEU 7 -5.738 -8.426 0.655
48 H GLY 8 H GLY 8 -3.902 -4.185 2.873
49 HA2 GLY 8 2HA GLY 8 -4.701 -3.955 5.552
50 HA3 GLY 8 1HA GLY 8 -3.122 -4.703 5.456
51 H GLU 9 H GLU 9 -2.931 -2.489 6.689
52 HA GLU 9 HA GLU 9 -2.087 -0.524 4.704
53 HB2 GLU 9 2HB GLU 9 -2.375 1.211 6.507
54 HB3 GLU 9 1HB GLU 9 -3.868 0.452 5.984
55 HG2 GLU 9 2HG GLU 9 -3.918 -0.910 7.958
56 HG3 GLU 9 1HG GLU 9 -2.358 -0.273 8.479
57 H ALA 10 H ALA 10 -0.043 -0.016 4.622
58 HA ALA 10 HA ALA 10 1.719 -1.109 6.688
59 HB1 ALA 10 1HB ALA 10 3.434 -1.238 4.947
60 HB2 ALA 10 2HB ALA 10 2.305 -0.558 3.776
61 HB3 ALA 10 3HB ALA 10 1.993 -2.143 4.483
62 HA PRO 11 HA PRO 11 2.995 3.085 7.447
63 HB2 PRO 11 2HB PRO 11 5.269 2.560 8.847
64 HB3 PRO 11 1HB PRO 11 3.657 2.355 9.546
65 HG2 PRO 11 2HG PRO 11 5.526 0.304 8.442
66 HG3 PRO 11 1HG PRO 11 4.464 0.208 9.856
67 HD2 PRO 11 2HD PRO 11 3.882 -0.908 7.427
68 HD3 PRO 11 1HD PRO 11 2.654 -0.400 8.603
69 H VAL 12 H VAL 12 3.614 4.004 5.541
70 HA VAL 12 HA VAL 12 6.341 3.453 4.617
71 HB VAL 12 HB VAL 12 3.972 4.211 2.865
72 HG11 VAL 12 1HG1 VAL 12 5.493 3.859 0.974
73 HG12 VAL 12 2HG1 VAL 12 6.810 3.532 2.097
74 HG13 VAL 12 3HG1 VAL 12 6.083 5.136 2.043
75 HG21 VAL 12 1HG2 VAL 12 4.185 1.979 1.889
76 HG22 VAL 12 2HG2 VAL 12 3.842 1.880 3.619
77 HG23 VAL 12 3HG2 VAL 12 5.480 1.605 3.025
78 H TYR 13 H TYR 13 7.412 5.116 5.448
79 HA TYR 13 HA TYR 13 6.598 7.741 4.551
80 HB2 TYR 13 2HB TYR 13 5.906 7.628 6.901
81 HB3 TYR 13 1HB TYR 13 7.512 7.081 7.369
82 HD1 TYR 13 1HD TYR 13 9.120 8.630 8.007
83 HD2 TYR 13 2HD TYR 13 5.751 9.967 5.783
84 HE1 TYR 13 1HE TYR 13 9.866 10.924 8.286
85 HE2 TYR 13 2HE TYR 13 6.482 12.288 6.060
86 HH TYR 13 HH TYR 13 7.925 13.644 7.526
87 HA PRO 14 HA PRO 14 7.353 9.509 3.866
88 HB2 PRO 14 2HB PRO 14 8.741 9.892 1.350
89 HB3 PRO 14 1HB PRO 14 8.545 11.030 2.682
90 HG2 PRO 14 2HG PRO 14 10.939 9.931 2.009
91 HG3 PRO 14 1HG PRO 14 10.524 10.437 3.656
92 HD2 PRO 14 2HD PRO 14 10.484 7.698 2.451
93 HD3 PRO 14 1HD PRO 14 11.077 8.212 4.045
94 H CYS 15 H CYS 15 5.594 9.345 2.558
95 HA CYS 15 HA CYS 15 5.097 6.900 1.253
96 HB2 CYS 15 2HB CYS 15 3.228 8.044 2.210
97 HB3 CYS 15 1HB CYS 15 3.569 9.502 1.279
98 H LYS 16 H LYS 16 5.739 6.313 -0.643
99 HA LYS 16 HA LYS 16 5.776 8.211 -2.833
100 HB2 LYS 16 2HB LYS 16 8.085 7.506 -1.604
101 HB3 LYS 16 1HB LYS 16 7.929 6.168 -2.732
102 HG2 LYS 16 2HG LYS 16 9.298 7.828 -3.734
103 HG3 LYS 16 1HG LYS 16 7.732 7.866 -4.560
104 HD2 LYS 16 2HD LYS 16 7.041 9.757 -3.174
105 HD3 LYS 16 1HD LYS 16 8.579 9.707 -2.329
106 HE2 LYS 16 2HE LYS 16 9.759 10.236 -4.407
107 HE3 LYS 16 1HE LYS 16 8.231 10.246 -5.281
108 HZ1 LYS 16 1HZ LYS 16 7.517 12.113 -3.904
109 HZ2 LYS 16 2HZ LYS 16 8.924 12.473 -4.734
110 HZ3 LYS 16 3HZ LYS 16 8.998 12.118 -3.099
111 H GLU 17 H GLU 17 5.071 7.191 -4.624
112 HA GLU 17 HA GLU 17 3.396 4.980 -4.379
113 HB2 GLU 17 2HB GLU 17 4.625 5.853 -7.004
114 HB3 GLU 17 1HB GLU 17 3.121 4.994 -6.776
115 HG2 GLU 17 2HG GLU 17 2.475 7.171 -7.281
116 HG3 GLU 17 1HG GLU 17 2.313 7.075 -5.528
117 H LYS 18 H LYS 18 6.604 5.122 -5.848
118 HA LYS 18 HA LYS 18 6.866 2.386 -6.431
119 HB2 LYS 18 2HB LYS 18 8.395 4.042 -7.368
120 HB3 LYS 18 1HB LYS 18 9.011 4.413 -5.762
121 HG2 LYS 18 2HG LYS 18 9.829 2.090 -5.580
122 HG3 LYS 18 1HG LYS 18 9.300 1.804 -7.235
123 HD2 LYS 18 2HD LYS 18 10.831 3.512 -8.032
124 HD3 LYS 18 1HD LYS 18 11.330 3.861 -6.373
125 HE2 LYS 18 2HE LYS 18 12.127 1.557 -6.140
126 HE3 LYS 18 1HE LYS 18 11.648 1.230 -7.801
127 HZ1 LYS 18 1HZ LYS 18 13.717 3.184 -6.942
128 HZ2 LYS 18 2HZ LYS 18 13.235 2.909 -8.532
129 HZ3 LYS 18 3HZ LYS 18 13.986 1.678 -7.661
130 H ALA 19 H ALA 19 7.755 4.250 -3.566
131 HA ALA 19 HA ALA 19 9.003 2.185 -2.128
132 HB1 ALA 19 1HB ALA 19 7.507 4.576 -1.043
133 HB2 ALA 19 2HB ALA 19 9.215 4.546 -1.484
134 HB3 ALA 19 3HB ALA 19 8.634 3.570 -0.136
135 H CYS 20 H CYS 20 5.683 3.346 -2.152
136 HA CYS 20 HA CYS 20 4.547 1.606 -0.355
137 HB2 CYS 20 2HB CYS 20 3.584 3.166 -2.659
138 HB3 CYS 20 1HB CYS 20 2.541 1.863 -2.108
139 H LYS 21 H LYS 21 4.889 1.138 -3.872
140 HA LYS 21 HA LYS 21 3.672 -1.372 -3.902
141 HB2 LYS 21 2HB LYS 21 4.043 -0.022 -5.922
142 HB3 LYS 21 1HB LYS 21 5.774 -0.283 -5.786
143 HG2 LYS 21 2HG LYS 21 5.460 -2.676 -6.150
144 HG3 LYS 21 1HG LYS 21 3.716 -2.443 -6.261
145 HD2 LYS 21 2HD LYS 21 5.749 -1.177 -8.107
146 HD3 LYS 21 1HD LYS 21 4.854 -2.648 -8.472
147 HE2 LYS 21 2HE LYS 21 3.569 0.033 -7.903
148 HE3 LYS 21 1HE LYS 21 3.912 -0.589 -9.508
149 HZ1 LYS 21 1HZ LYS 21 2.400 -2.365 -9.183
150 HZ2 LYS 21 2HZ LYS 21 1.581 -0.970 -8.741
151 HZ3 LYS 21 3HZ LYS 21 2.169 -2.022 -7.565
152 H SER 22 H SER 22 7.033 -0.456 -3.321
153 HA SER 22 HA SER 22 7.982 -3.136 -3.325
154 HB2 SER 22 2HB SER 22 9.427 -1.123 -3.744
155 HB3 SER 22 1HB SER 22 9.277 -0.719 -2.037
156 HG SER 22 HG SER 22 10.338 -2.667 -1.517
157 H VAL 23 H VAL 23 7.219 -0.834 -0.676
158 HA VAL 23 HA VAL 23 7.826 -2.585 1.426
159 HB VAL 23 HB VAL 23 5.905 -0.221 1.415
160 HG11 VAL 23 1HG1 VAL 23 7.134 -1.681 3.756
161 HG12 VAL 23 2HG1 VAL 23 5.427 -1.683 3.313
162 HG13 VAL 23 3HG1 VAL 23 6.196 -0.195 3.866
163 HG21 VAL 23 1HG2 VAL 23 7.760 0.998 2.444
164 HG22 VAL 23 2HG2 VAL 23 8.195 0.384 0.848
165 HG23 VAL 23 3HG2 VAL 23 8.779 -0.433 2.299
166 H CYS 24 H CYS 24 4.822 -2.049 -0.350
167 HA CYS 24 HA CYS 24 3.252 -3.708 1.222
168 HB2 CYS 24 2HB CYS 24 2.997 -2.948 -1.680
169 HB3 CYS 24 1HB CYS 24 1.811 -3.945 -0.845
170 H LYS 25 H LYS 25 5.433 -4.563 -1.453
171 HA LYS 25 HA LYS 25 4.668 -7.302 -1.649
172 HB2 LYS 25 2HB LYS 25 7.335 -5.991 -2.183
173 HB3 LYS 25 1HB LYS 25 6.919 -7.628 -2.645
174 HG2 LYS 25 2HG LYS 25 5.225 -6.769 -4.162
175 HG3 LYS 25 1HG LYS 25 5.619 -5.121 -3.663
176 HD2 LYS 25 2HD LYS 25 7.915 -5.422 -4.452
177 HD3 LYS 25 1HD LYS 25 7.528 -7.067 -4.950
178 HE2 LYS 25 2HE LYS 25 5.905 -6.224 -6.537
179 HE3 LYS 25 1HE LYS 25 6.227 -4.571 -6.012
180 HZ1 LYS 25 1HZ LYS 25 8.200 -6.384 -7.303
181 HZ2 LYS 25 2HZ LYS 25 8.512 -4.826 -6.804
182 HZ3 LYS 25 3HZ LYS 25 7.413 -5.102 -8.049
183 H GLU 26 H GLU 26 6.858 -5.509 0.314
184 HA GLU 26 HA GLU 26 8.211 -7.696 1.490
185 HB2 GLU 26 2HB GLU 26 8.033 -4.773 2.188
186 HB3 GLU 26 1HB GLU 26 9.074 -5.910 3.045
187 HG2 GLU 26 2HG GLU 26 10.384 -6.330 1.147
188 HG3 GLU 26 1HG GLU 26 9.186 -5.626 0.071
189 H HIS 27 H HIS 27 5.423 -5.802 2.416
190 HA HIS 27 HA HIS 27 5.204 -7.272 4.890
191 HB2 HIS 27 2HB HIS 27 3.497 -5.112 3.676
192 HB3 HIS 27 1HB HIS 27 2.938 -6.038 5.062
193 HD1 HIS 27 1HD HIS 27 3.609 -5.114 7.298
194 HD2 HIS 27 2HD HIS 27 6.027 -3.757 4.215
195 HE1 HIS 27 1HE HIS 27 5.196 -3.472 8.355
196 H TYR 28 H TYR 28 3.461 -7.243 1.784
197 HA TYR 28 HA TYR 28 2.157 -9.738 2.641
198 HB2 TYR 28 2HB TYR 28 0.978 -7.667 0.797
199 HB3 TYR 28 1HB TYR 28 0.160 -9.073 1.453
200 HD1 TYR 28 1HD TYR 28 1.314 -5.663 2.106
201 HD2 TYR 28 2HD TYR 28 -0.757 -9.000 3.753
202 HE1 TYR 28 1HE TYR 28 0.471 -4.240 3.906
203 HE2 TYR 28 2HE TYR 28 -1.609 -7.554 5.567
204 HH TYR 28 HH TYR 28 -1.013 -5.471 6.698
205 H HIS 29 H HIS 29 2.460 -11.364 1.193
206 HA HIS 29 HA HIS 29 4.223 -10.968 -1.034
207 HB2 HIS 29 2HB HIS 29 2.686 -13.403 -0.121
208 HB3 HIS 29 1HB HIS 29 3.813 -13.423 -1.466
209 HD1 HIS 29 1HD HIS 29 3.781 -14.583 1.798
210 HD2 HIS 29 2HD HIS 29 6.416 -12.125 -0.276
211 HE1 HIS 29 1HE HIS 29 5.965 -14.713 3.033
212 H HIS 30 H HIS 30 0.875 -10.987 -0.584
213 HA HIS 30 HA HIS 30 0.299 -11.459 -3.404
214 HB2 HIS 30 2HB HIS 30 -1.593 -11.004 -1.086
215 HB3 HIS 30 1HB HIS 30 -2.074 -11.403 -2.730
216 HD1 HIS 30 1HD HIS 30 -1.069 -12.965 0.465
217 HD2 HIS 30 2HD HIS 30 -1.272 -14.048 -3.535
218 HE1 HIS 30 1HE HIS 30 -0.907 -15.445 0.420
219 H ALA 31 H ALA 31 1.236 -8.830 -1.657
220 HA ALA 31 HA ALA 31 -0.758 -6.995 -2.686
221 HB1 ALA 31 1HB ALA 31 1.720 -6.400 -1.078
222 HB2 ALA 31 2HB ALA 31 0.063 -6.557 -0.455
223 HB3 ALA 31 3HB ALA 31 0.472 -5.251 -1.551
224 H CYS 32 H CYS 32 -0.638 -5.929 -4.418
225 HA CYS 32 HA CYS 32 1.888 -5.839 -5.909
226 HB2 CYS 32 2HB CYS 32 0.209 -5.629 -7.874
227 HB3 CYS 32 1HB CYS 32 0.475 -7.209 -7.137
228 H LYS 33 H LYS 33 -0.809 -4.018 -4.673
229 HA LYS 33 HA LYS 33 0.284 -1.628 -5.966
230 HB2 LYS 33 2HB LYS 33 -1.750 -2.269 -7.080
231 HB3 LYS 33 1HB LYS 33 -2.585 -2.431 -5.554
232 HG2 LYS 33 2HG LYS 33 -2.567 -0.045 -5.238
233 HG3 LYS 33 1HG LYS 33 -1.553 0.173 -6.665
234 HD2 LYS 33 2HD LYS 33 -3.304 -0.744 -8.081
235 HD3 LYS 33 1HD LYS 33 -4.317 -1.035 -6.670
236 HE2 LYS 33 2HE LYS 33 -3.338 1.684 -7.515
237 HE3 LYS 33 1HE LYS 33 -4.900 1.013 -7.974
238 HZ1 LYS 33 1HZ LYS 33 -4.024 1.427 -5.165
239 HZ2 LYS 33 2HZ LYS 33 -5.563 0.955 -5.706
240 HZ3 LYS 33 3HZ LYS 33 -4.995 2.494 -6.022
241 H GLY 34 H GLY 34 0.610 0.082 -4.678
242 HA2 GLY 34 2HA GLY 34 -0.464 -0.029 -1.945
243 HA3 GLY 34 1HA GLY 34 1.209 0.431 -2.262
244 H GLU 35 H GLU 35 -1.300 1.870 -1.225
245 HA GLU 35 HA GLU 35 -0.994 4.310 -2.844
246 HB2 GLU 35 2HB GLU 35 -2.843 2.828 -3.714
247 HB3 GLU 35 1HB GLU 35 -3.596 3.043 -2.139
248 HG2 GLU 35 2HG GLU 35 -3.904 5.370 -2.550
249 HG3 GLU 35 1HG GLU 35 -3.065 5.229 -4.106
250 H CYS 36 H CYS 36 -1.035 6.073 -1.472
251 HA CYS 36 HA CYS 36 -1.457 5.555 1.371
252 HB2 CYS 36 2HB CYS 36 -0.306 7.938 -0.060
253 HB3 CYS 36 1HB CYS 36 -0.456 7.784 1.683
254 H GLU 37 H GLU 37 -3.007 6.456 2.583
255 HA GLU 37 HA GLU 37 -4.649 8.522 1.369
256 HB2 GLU 37 2HB GLU 37 -5.768 6.063 2.725
257 HB3 GLU 37 1HB GLU 37 -6.708 7.494 2.341
258 HG2 GLU 37 2HG GLU 37 -6.092 7.114 -0.072
259 HG3 GLU 37 1HG GLU 37 -5.429 5.561 0.433
260 H TYR 38 H TYR 38 -5.168 10.087 2.676
261 HA TYR 38 HA TYR 38 -3.937 10.043 5.290
262 HB2 TYR 38 2HB TYR 38 -5.150 12.287 3.659
263 HB3 TYR 38 1HB TYR 38 -4.501 12.497 5.280
264 HD1 TYR 38 1HD TYR 38 -2.200 12.846 5.606
265 HD2 TYR 38 2HD TYR 38 -3.583 11.478 1.818
266 HE1 TYR 38 1HE TYR 38 0.038 13.158 4.683
267 HE2 TYR 38 2HE TYR 38 -1.345 11.785 0.884
268 HH TYR 38 HH TYR 38 1.382 12.376 2.879
269 H HIS 39 H HIS 39 -4.985 10.081 7.120
270 HA HIS 39 HA HIS 39 -7.878 10.445 7.078
271 HB2 HIS 39 2HB HIS 39 -7.106 8.002 7.413
272 HB3 HIS 39 1HB HIS 39 -6.427 8.543 8.940
273 HD1 HIS 39 1HD HIS 39 -9.688 7.795 7.260
274 HD2 HIS 39 2HD HIS 39 -8.284 9.103 10.948
275 HE1 HIS 39 1HE HIS 39 -11.642 7.653 8.831
276 H GLY 40 H GLY 40 -7.689 12.517 7.698
277 HA2 GLY 40 2HA GLY 40 -7.490 14.237 9.234
278 HA3 GLY 40 1HA GLY 40 -6.767 13.095 10.372
279 H ARG 41 H ARG 41 -4.674 13.380 10.752
280 HA ARG 41 HA ARG 41 -3.070 14.875 8.798
281 HB2 ARG 41 2HB ARG 41 -3.054 15.480 11.258
282 HB3 ARG 41 1HB ARG 41 -2.266 13.936 11.557
283 HG2 ARG 41 2HG ARG 41 -0.506 14.718 9.869
284 HG3 ARG 41 1HG ARG 41 -1.211 16.318 10.079
285 HD2 ARG 41 2HD ARG 41 0.615 16.168 11.588
286 HD3 ARG 41 1HD ARG 41 -0.860 16.021 12.545
287 HE ARG 41 HE ARG 41 -0.137 13.439 11.920
288 HH11 ARG 41 1HH1 ARG 41 1.338 16.093 13.758
289 HH12 ARG 41 2HH1 ARG 41 2.311 15.071 14.684
290 HH21 ARG 41 1HH2 ARG 41 1.154 12.091 13.128
291 HH22 ARG 41 2HH2 ARG 41 2.237 12.701 14.324
292 H GLU 42 H GLU 42 -3.462 11.797 10.327
293 HA GLU 42 HA GLU 42 -0.901 10.744 9.642
294 HB2 GLU 42 2HB GLU 42 -3.379 9.444 10.738
295 HB3 GLU 42 1HB GLU 42 -1.802 8.675 10.607
296 HG2 GLU 42 2HG GLU 42 -2.365 11.149 12.222
297 HG3 GLU 42 1HG GLU 42 -2.279 9.514 12.874
298 H VAL 43 H VAL 43 -0.491 8.977 8.263
299 HA VAL 43 HA VAL 43 -2.480 8.354 6.264
300 HB VAL 43 HB VAL 43 -1.410 10.364 5.334
301 HG11 VAL 43 1HG1 VAL 43 0.735 10.277 6.475
302 HG12 VAL 43 2HG1 VAL 43 0.946 10.384 4.715
303 HG13 VAL 43 3HG1 VAL 43 1.155 8.836 5.536
304 HG21 VAL 43 1HG2 VAL 43 -0.635 9.462 3.192
305 HG22 VAL 43 2HG2 VAL 43 -2.092 8.642 3.763
306 HG23 VAL 43 3HG2 VAL 43 -0.518 7.859 3.921
307 H HIS 44 H HIS 44 -2.296 6.328 5.611
308 HA HIS 44 HA HIS 44 0.283 5.018 5.890
309 HB2 HIS 44 2HB HIS 44 -2.346 4.003 6.883
310 HB3 HIS 44 1HB HIS 44 -1.232 2.852 6.149
311 HD1 HIS 44 1HD HIS 44 -1.896 2.584 9.170
312 HD2 HIS 44 2HD HIS 44 1.322 4.731 7.631
313 HE1 HIS 44 1HE HIS 44 -0.154 2.641 10.983
314 H CYS 45 H CYS 45 0.528 3.150 4.493
315 HA CYS 45 HA CYS 45 -0.684 3.827 1.954
316 HB2 CYS 45 2HB CYS 45 1.798 3.763 2.145
317 HB3 CYS 45 1HB CYS 45 1.681 2.058 2.577
318 H HIS 46 H HIS 46 -2.265 2.623 1.282
319 HA HIS 46 HA HIS 46 -2.909 0.219 2.699
320 HB2 HIS 46 2HB HIS 46 -4.382 1.805 0.576
321 HB3 HIS 46 1HB HIS 46 -5.035 0.410 1.426
322 HD1 HIS 46 1HD HIS 46 -6.355 3.331 1.621
323 HD2 HIS 46 2HD HIS 46 -3.716 1.655 4.366
324 HE1 HIS 46 1HE HIS 46 -6.799 4.476 3.806
325 H CYS 47 H CYS 47 -2.391 -1.657 1.968
326 HA CYS 47 HA CYS 47 -1.234 -1.874 -0.688
327 HB2 CYS 47 2HB CYS 47 -1.181 -3.768 1.656
328 HB3 CYS 47 1HB CYS 47 -0.306 -3.980 0.143
329 H TYR 48 H TYR 48 -2.252 -2.837 -2.234
330 HA TYR 48 HA TYR 48 -4.673 -4.414 -1.644
331 HB2 TYR 48 2HB TYR 48 -4.024 -2.999 -4.236
332 HB3 TYR 48 1HB TYR 48 -5.549 -3.724 -3.765
333 HD1 TYR 48 1HD TYR 48 -7.119 -2.489 -2.350
334 HD2 TYR 48 2HD TYR 48 -3.318 -0.881 -3.355
335 HE1 TYR 48 1HE TYR 48 -7.850 -0.272 -1.586
336 HE2 TYR 48 2HE TYR 48 -4.017 1.299 -2.607
337 HH TYR 48 HH TYR 48 -6.123 2.591 -2.270
338 H GLY 49 H GLY 49 -4.924 -6.289 -2.850
339 HA2 GLY 49 2HA GLY 49 -2.902 -7.066 -4.751
340 HA3 GLY 49 1HA GLY 49 -2.915 -7.998 -3.256
341 H ASP 50 H ASP 50 -3.400 -9.698 -4.975
342 HA ASP 50 HA ASP 50 -6.256 -10.044 -4.885
343 HB2 ASP 50 2HB ASP 50 -6.379 -10.871 -7.153
344 HB3 ASP 50 1HB ASP 50 -5.832 -9.203 -7.167
345 H TYR 51 H TYR 51 -6.905 -12.239 -4.961
346 HA TYR 51 HA TYR 51 -4.726 -14.041 -4.202
347 HB2 TYR 51 2HB TYR 51 -7.600 -14.014 -3.303
348 HB3 TYR 51 1HB TYR 51 -6.513 -15.359 -3.017
349 HD1 TYR 51 1HD TYR 51 -7.575 -12.093 -1.936
350 HD2 TYR 51 2HD TYR 51 -4.505 -15.011 -1.556
351 HE1 TYR 51 1HE TYR 51 -6.831 -11.036 0.130
352 HE2 TYR 51 2HE TYR 51 -3.748 -13.960 0.515
353 HH TYR 51 HH TYR 51 -5.610 -11.661 2.138
354 H HIS 52 H HIS 52 -4.255 -15.437 -5.631
355 HA HIS 52 HA HIS 52 -4.289 -17.029 -7.181
356 HB2 HIS 52 2HB HIS 52 -6.956 -17.705 -5.916
357 HB3 HIS 52 1HB HIS 52 -6.001 -18.782 -6.932
358 HD1 HIS 52 1HD HIS 52 -3.785 -19.751 -5.858
359 HD2 HIS 52 2HD HIS 52 -6.144 -17.481 -3.304
360 HE1 HIS 52 1HE HIS 52 -2.876 -20.141 -3.537
Start of MODEL 3
1 H1 ALA 1 H ALA 1 -6.586 -11.720 -8.302
2 HA ALA 1 HA ALA 1 -6.386 -12.051 -11.202
3 HB1 ALA 1 1HB ALA 1 -8.748 -11.228 -9.506
4 HB2 ALA 1 2HB ALA 1 -8.410 -12.862 -10.073
5 HB3 ALA 1 3HB ALA 1 -8.786 -11.588 -11.232
6 H HIS 2 H HIS 2 -7.928 -9.359 -9.328
7 HA HIS 2 HA HIS 2 -6.298 -7.586 -10.974
8 HB2 HIS 2 2HB HIS 2 -8.684 -7.598 -11.710
9 HB3 HIS 2 1HB HIS 2 -9.158 -7.087 -10.094
10 HD1 HIS 2 1HD HIS 2 -9.269 -4.639 -9.724
11 HD2 HIS 2 2HD HIS 2 -6.994 -5.626 -13.042
12 HE1 HIS 2 1HE HIS 2 -8.640 -2.438 -10.813
13 H CYS 3 H CYS 3 -5.552 -5.682 -9.967
14 HA CYS 3 HA CYS 3 -5.222 -5.999 -7.120
15 HB2 CYS 3 2HB CYS 3 -4.014 -3.994 -9.009
16 HB3 CYS 3 1HB CYS 3 -3.590 -4.173 -7.311
17 H ASP 4 H ASP 4 -7.594 -5.509 -6.851
18 HA ASP 4 HA ASP 4 -7.644 -2.745 -5.957
19 HB2 ASP 4 2HB ASP 4 -9.818 -2.216 -6.833
20 HB3 ASP 4 1HB ASP 4 -8.816 -2.759 -8.167
21 H HIS 5 H HIS 5 -7.565 -5.600 -4.958
22 HA HIS 5 HA HIS 5 -9.746 -5.355 -3.008
23 HB2 HIS 5 2HB HIS 5 -9.530 -7.545 -4.291
24 HB3 HIS 5 1HB HIS 5 -7.960 -7.759 -3.532
25 HD1 HIS 5 1HD HIS 5 -11.550 -8.378 -3.010
26 HD2 HIS 5 2HD HIS 5 -8.139 -8.118 -0.650
27 HE1 HIS 5 1HE HIS 5 -12.114 -9.506 -0.836
28 H PHE 6 H PHE 6 -9.214 -5.086 -0.871
29 HA PHE 6 HA PHE 6 -6.555 -4.077 -0.384
30 HB2 PHE 6 2HB PHE 6 -8.935 -4.304 1.470
31 HB3 PHE 6 1HB PHE 6 -7.435 -3.473 1.831
32 HD1 PHE 6 1HD PHE 6 -10.549 -3.370 -0.090
33 HD2 PHE 6 2HD PHE 6 -6.970 -1.299 0.907
34 HE1 PHE 6 1HE PHE 6 -11.505 -1.297 -0.981
35 HE2 PHE 6 2HE PHE 6 -7.921 0.776 0.016
36 HZ PHE 6 HZ PHE 6 -10.201 0.782 -0.933
37 H LEU 7 H LEU 7 -4.979 -5.240 0.455
38 HA LEU 7 HA LEU 7 -5.496 -7.851 1.628
39 HB2 LEU 7 2HB LEU 7 -2.914 -6.296 1.401
40 HB3 LEU 7 1HB LEU 7 -3.063 -7.980 1.847
41 HG LEU 7 HG LEU 7 -3.678 -6.813 -0.868
42 HD11 LEU 7 1HD1 LEU 7 -1.417 -8.512 0.132
43 HD12 LEU 7 2HD1 LEU 7 -1.316 -6.821 -0.355
44 HD13 LEU 7 3HD1 LEU 7 -1.662 -8.065 -1.549
45 HD21 LEU 7 1HD2 LEU 7 -3.654 -9.676 0.083
46 HD22 LEU 7 2HD2 LEU 7 -3.875 -9.150 -1.583
47 HD23 LEU 7 3HD2 LEU 7 -5.086 -8.752 -0.366
48 H GLY 8 H GLY 8 -4.287 -4.674 2.503
49 HA2 GLY 8 2HA GLY 8 -5.361 -4.514 5.015
50 HA3 GLY 8 1HA GLY 8 -3.759 -5.230 5.189
51 H GLU 9 H GLU 9 -3.526 -3.112 6.371
52 HA GLU 9 HA GLU 9 -2.653 -1.107 4.442
53 HB2 GLU 9 2HB GLU 9 -2.993 0.585 6.205
54 HB3 GLU 9 1HB GLU 9 -4.479 -0.243 5.775
55 HG2 GLU 9 2HG GLU 9 -4.243 -1.646 7.784
56 HG3 GLU 9 1HG GLU 9 -2.802 -0.728 8.222
57 H ALA 10 H ALA 10 -0.731 -0.057 4.825
58 HA ALA 10 HA ALA 10 1.045 -1.155 6.873
59 HB1 ALA 10 1HB ALA 10 2.838 -1.392 5.213
60 HB2 ALA 10 2HB ALA 10 1.711 -0.940 3.932
61 HB3 ALA 10 3HB ALA 10 1.471 -2.439 4.831
62 HA PRO 11 HA PRO 11 1.959 3.228 6.983
63 HB2 PRO 11 2HB PRO 11 4.044 3.160 8.717
64 HB3 PRO 11 1HB PRO 11 2.373 2.928 9.245
65 HG2 PRO 11 2HG PRO 11 4.506 0.899 8.754
66 HG3 PRO 11 1HG PRO 11 3.289 0.953 10.042
67 HD2 PRO 11 2HD PRO 11 3.104 -0.614 7.799
68 HD3 PRO 11 1HD PRO 11 1.705 -0.048 8.728
69 H VAL 12 H VAL 12 3.361 4.596 5.870
70 HA VAL 12 HA VAL 12 5.892 3.514 4.881
71 HB VAL 12 HB VAL 12 4.107 3.131 3.122
72 HG11 VAL 12 1HG1 VAL 12 2.712 5.045 3.512
73 HG12 VAL 12 2HG1 VAL 12 3.279 5.041 1.843
74 HG13 VAL 12 3HG1 VAL 12 4.011 6.133 3.021
75 HG21 VAL 12 1HG2 VAL 12 5.416 4.059 1.239
76 HG22 VAL 12 2HG2 VAL 12 6.438 3.285 2.448
77 HG23 VAL 12 3HG2 VAL 12 6.327 5.043 2.384
78 H TYR 13 H TYR 13 7.440 5.163 4.476
79 HA TYR 13 HA TYR 13 6.597 7.888 4.372
80 HB2 TYR 13 2HB TYR 13 6.865 7.166 6.880
81 HB3 TYR 13 1HB TYR 13 8.588 7.209 6.531
82 HD1 TYR 13 1HD TYR 13 9.401 9.486 5.375
83 HD2 TYR 13 2HD TYR 13 5.868 9.053 7.697
84 HE1 TYR 13 1HE TYR 13 9.404 11.892 5.813
85 HE2 TYR 13 2HE TYR 13 5.853 11.454 8.139
86 HH TYR 13 HH TYR 13 7.689 13.622 6.410
87 HA PRO 14 HA PRO 14 7.150 9.486 3.411
88 HB2 PRO 14 2HB PRO 14 8.141 10.338 0.866
89 HB3 PRO 14 1HB PRO 14 8.337 11.151 2.419
90 HG2 PRO 14 2HG PRO 14 10.401 10.014 0.967
91 HG3 PRO 14 1HG PRO 14 10.451 10.331 2.711
92 HD2 PRO 14 2HD PRO 14 9.876 7.786 1.246
93 HD3 PRO 14 1HD PRO 14 10.830 8.046 2.723
94 H CYS 15 H CYS 15 5.499 9.971 1.738
95 HA CYS 15 HA CYS 15 4.594 7.548 0.558
96 HB2 CYS 15 2HB CYS 15 2.829 8.746 1.455
97 HB3 CYS 15 1HB CYS 15 3.392 10.275 0.791
98 H LYS 16 H LYS 16 5.895 6.963 -0.971
99 HA LYS 16 HA LYS 16 5.365 8.242 -3.551
100 HB2 LYS 16 2HB LYS 16 7.921 6.953 -2.577
101 HB3 LYS 16 1HB LYS 16 7.495 6.828 -4.270
102 HG2 LYS 16 2HG LYS 16 9.035 8.626 -4.020
103 HG3 LYS 16 1HG LYS 16 7.457 9.318 -4.371
104 HD2 LYS 16 2HD LYS 16 7.140 9.741 -2.007
105 HD3 LYS 16 1HD LYS 16 8.759 9.120 -1.662
106 HE2 LYS 16 2HE LYS 16 8.062 11.535 -3.356
107 HE3 LYS 16 1HE LYS 16 8.815 11.563 -1.764
108 HZ1 LYS 16 1HZ LYS 16 10.748 10.404 -2.754
109 HZ2 LYS 16 2HZ LYS 16 10.472 11.886 -3.483
110 HZ3 LYS 16 3HZ LYS 16 10.028 10.478 -4.263
111 H GLU 17 H GLU 17 4.586 6.821 -5.056
112 HA GLU 17 HA GLU 17 3.190 4.591 -4.129
113 HB2 GLU 17 2HB GLU 17 3.980 5.317 -6.924
114 HB3 GLU 17 1HB GLU 17 3.060 3.869 -6.562
115 HG2 GLU 17 2HG GLU 17 1.414 5.331 -5.423
116 HG3 GLU 17 1HG GLU 17 2.270 6.715 -6.105
117 H LYS 18 H LYS 18 6.227 4.695 -5.812
118 HA LYS 18 HA LYS 18 6.595 1.924 -5.950
119 HB2 LYS 18 2HB LYS 18 8.975 2.380 -6.354
120 HB3 LYS 18 1HB LYS 18 7.922 3.394 -7.323
121 HG2 LYS 18 2HG LYS 18 8.261 5.201 -5.631
122 HG3 LYS 18 1HG LYS 18 9.468 4.160 -4.883
123 HD2 LYS 18 2HD LYS 18 9.540 5.148 -7.731
124 HD3 LYS 18 1HD LYS 18 10.427 5.824 -6.367
125 HE2 LYS 18 2HE LYS 18 10.733 3.005 -7.421
126 HE3 LYS 18 1HE LYS 18 11.812 4.343 -7.795
127 HZ1 LYS 18 1HZ LYS 18 12.757 3.022 -6.064
128 HZ2 LYS 18 2HZ LYS 18 11.367 3.119 -5.130
129 HZ3 LYS 18 3HZ LYS 18 12.297 4.505 -5.398
130 H ALA 19 H ALA 19 7.431 4.188 -3.404
131 HA ALA 19 HA ALA 19 8.819 2.303 -1.749
132 HB1 ALA 19 1HB ALA 19 9.174 4.741 -1.554
133 HB2 ALA 19 2HB ALA 19 8.668 4.034 -0.020
134 HB3 ALA 19 3HB ALA 19 7.511 4.928 -1.000
135 H CYS 20 H CYS 20 5.556 3.580 -1.896
136 HA CYS 20 HA CYS 20 4.452 2.341 0.348
137 HB2 CYS 20 2HB CYS 20 3.356 4.176 -0.840
138 HB3 CYS 20 1HB CYS 20 3.195 3.179 -2.276
139 H LYS 21 H LYS 21 4.523 1.333 -3.049
140 HA LYS 21 HA LYS 21 3.253 -1.127 -2.785
141 HB2 LYS 21 2HB LYS 21 3.734 0.033 -4.909
142 HB3 LYS 21 1HB LYS 21 5.441 -0.296 -4.692
143 HG2 LYS 21 2HG LYS 21 5.007 -2.692 -4.888
144 HG3 LYS 21 1HG LYS 21 3.282 -2.361 -5.092
145 HD2 LYS 21 2HD LYS 21 3.772 -1.027 -7.075
146 HD3 LYS 21 1HD LYS 21 5.491 -1.363 -6.882
147 HE2 LYS 21 2HE LYS 21 5.045 -3.751 -7.200
148 HE3 LYS 21 1HE LYS 21 3.328 -3.399 -7.401
149 HZ1 LYS 21 1HZ LYS 21 3.860 -2.073 -9.340
150 HZ2 LYS 21 2HZ LYS 21 4.446 -3.638 -9.528
151 HZ3 LYS 21 3HZ LYS 21 5.508 -2.393 -9.135
152 H SER 22 H SER 22 6.647 -0.205 -2.465
153 HA SER 22 HA SER 22 7.771 -2.741 -2.153
154 HB2 SER 22 2HB SER 22 8.671 -0.093 -1.007
155 HB3 SER 22 1HB SER 22 9.664 -1.545 -1.058
156 HG SER 22 HG SER 22 8.581 -0.121 -3.266
157 H VAL 23 H VAL 23 6.763 -0.430 0.425
158 HA VAL 23 HA VAL 23 7.362 -2.286 2.473
159 HB VAL 23 HB VAL 23 7.276 0.167 2.891
160 HG11 VAL 23 1HG1 VAL 23 5.330 0.791 1.638
161 HG12 VAL 23 2HG1 VAL 23 5.151 1.290 3.323
162 HG13 VAL 23 3HG1 VAL 23 4.294 -0.131 2.728
163 HG21 VAL 23 1HG2 VAL 23 6.240 0.083 5.113
164 HG22 VAL 23 2HG2 VAL 23 7.220 -1.348 4.785
165 HG23 VAL 23 3HG2 VAL 23 5.462 -1.437 4.681
166 H CYS 24 H CYS 24 4.406 -1.561 0.708
167 HA CYS 24 HA CYS 24 2.707 -3.170 2.177
168 HB2 CYS 24 2HB CYS 24 2.685 -2.278 -0.676
169 HB3 CYS 24 1HB CYS 24 1.504 -3.454 -0.110
170 H LYS 25 H LYS 25 4.977 -4.073 -0.403
171 HA LYS 25 HA LYS 25 4.056 -6.774 -0.452
172 HB2 LYS 25 2HB LYS 25 6.659 -5.619 -1.465
173 HB3 LYS 25 1HB LYS 25 6.100 -7.260 -1.756
174 HG2 LYS 25 2HG LYS 25 4.137 -6.350 -2.941
175 HG3 LYS 25 1HG LYS 25 4.770 -4.725 -2.692
176 HD2 LYS 25 2HD LYS 25 5.350 -5.403 -4.908
177 HD3 LYS 25 1HD LYS 25 6.824 -5.424 -3.943
178 HE2 LYS 25 2HE LYS 25 6.759 -7.393 -5.336
179 HE3 LYS 25 1HE LYS 25 6.553 -7.879 -3.660
180 HZ1 LYS 25 1HZ LYS 25 4.124 -8.038 -4.080
181 HZ2 LYS 25 2HZ LYS 25 5.007 -9.056 -5.053
182 HZ3 LYS 25 3HZ LYS 25 4.392 -7.634 -5.702
183 H GLU 26 H GLU 26 6.372 -5.028 1.419
184 HA GLU 26 HA GLU 26 7.712 -7.273 2.491
185 HB2 GLU 26 2HB GLU 26 7.336 -4.512 3.653
186 HB3 GLU 26 1HB GLU 26 8.389 -5.742 4.337
187 HG2 GLU 26 2HG GLU 26 8.653 -4.394 1.666
188 HG3 GLU 26 1HG GLU 26 9.728 -4.246 3.059
189 H HIS 27 H HIS 27 4.870 -5.508 3.437
190 HA HIS 27 HA HIS 27 4.400 -7.198 5.720
191 HB2 HIS 27 2HB HIS 27 2.608 -5.235 4.271
192 HB3 HIS 27 1HB HIS 27 2.082 -6.161 5.665
193 HD1 HIS 27 1HD HIS 27 2.451 -5.057 7.867
194 HD2 HIS 27 2HD HIS 27 4.847 -3.475 4.884
195 HE1 HIS 27 1HE HIS 27 3.587 -3.038 8.885
196 H TYR 28 H TYR 28 2.773 -6.793 2.592
197 HA TYR 28 HA TYR 28 1.760 -9.543 2.777
198 HB2 TYR 28 2HB TYR 28 0.439 -7.262 1.300
199 HB3 TYR 28 1HB TYR 28 -0.246 -8.817 1.762
200 HD1 TYR 28 1HD TYR 28 0.172 -5.382 2.684
201 HD2 TYR 28 2HD TYR 28 -0.614 -9.255 4.249
202 HE1 TYR 28 1HE TYR 28 -0.706 -4.367 4.736
203 HE2 TYR 28 2HE TYR 28 -1.497 -8.257 6.294
204 HH TYR 28 HH TYR 28 -2.243 -4.982 6.619
205 H HIS 29 H HIS 29 3.031 -10.623 1.366
206 HA HIS 29 HA HIS 29 4.649 -9.471 -0.589
207 HB2 HIS 29 2HB HIS 29 3.743 -12.349 -0.439
208 HB3 HIS 29 1HB HIS 29 5.048 -11.758 -1.457
209 HD1 HIS 29 1HD HIS 29 6.120 -9.819 1.022
210 HD2 HIS 29 2HD HIS 29 5.507 -13.938 1.001
211 HE1 HIS 29 1HE HIS 29 7.549 -10.735 2.859
212 H HIS 30 H HIS 30 1.375 -10.575 -0.907
213 HA HIS 30 HA HIS 30 1.456 -10.594 -3.780
214 HB2 HIS 30 2HB HIS 30 -0.774 -10.989 -1.812
215 HB3 HIS 30 1HB HIS 30 -1.083 -10.832 -3.534
216 HD1 HIS 30 1HD HIS 30 -1.056 -12.940 -4.798
217 HD2 HIS 30 2HD HIS 30 1.094 -13.206 -1.259
218 HE1 HIS 30 1HE HIS 30 -0.281 -15.347 -4.639
219 H ALA 31 H ALA 31 1.604 -8.068 -1.818
220 HA ALA 31 HA ALA 31 -0.390 -6.359 -2.865
221 HB1 ALA 31 1HB ALA 31 0.923 -4.524 -1.960
222 HB2 ALA 31 2HB ALA 31 2.291 -5.607 -1.709
223 HB3 ALA 31 3HB ALA 31 0.804 -5.836 -0.788
224 H CYS 32 H CYS 32 -0.529 -5.424 -4.703
225 HA CYS 32 HA CYS 32 1.840 -5.280 -6.433
226 HB2 CYS 32 2HB CYS 32 0.104 -5.556 -8.287
227 HB3 CYS 32 1HB CYS 32 0.516 -6.986 -7.334
228 H LYS 33 H LYS 33 -0.617 -3.584 -4.871
229 HA LYS 33 HA LYS 33 0.156 -1.172 -6.268
230 HB2 LYS 33 2HB LYS 33 -1.757 -1.872 -7.536
231 HB3 LYS 33 1HB LYS 33 -2.704 -2.164 -6.102
232 HG2 LYS 33 2HG LYS 33 -3.465 -0.137 -7.080
233 HG3 LYS 33 1HG LYS 33 -2.569 0.296 -5.627
234 HD2 LYS 33 2HD LYS 33 -0.616 0.846 -6.992
235 HD3 LYS 33 1HD LYS 33 -1.504 0.384 -8.447
236 HE2 LYS 33 2HE LYS 33 -3.181 2.119 -7.926
237 HE3 LYS 33 1HE LYS 33 -2.207 2.609 -6.546
238 HZ1 LYS 33 1HZ LYS 33 -1.919 3.981 -8.515
239 HZ2 LYS 33 2HZ LYS 33 -1.269 2.690 -9.369
240 HZ3 LYS 33 3HZ LYS 33 -0.456 3.334 -8.032
241 H GLY 34 H GLY 34 0.590 0.295 -4.798
242 HA2 GLY 34 2HA GLY 34 -0.687 0.051 -2.173
243 HA3 GLY 34 1HA GLY 34 0.901 0.768 -2.463
244 H GLU 35 H GLU 35 -1.858 1.725 -1.454
245 HA GLU 35 HA GLU 35 -1.918 4.164 -3.109
246 HB2 GLU 35 2HB GLU 35 -3.873 2.733 -3.367
247 HB3 GLU 35 1HB GLU 35 -4.183 2.816 -1.634
248 HG2 GLU 35 2HG GLU 35 -5.683 4.296 -2.720
249 HG3 GLU 35 1HG GLU 35 -4.463 5.286 -1.925
250 H CYS 36 H CYS 36 -1.442 5.956 -2.000
251 HA CYS 36 HA CYS 36 -0.925 5.875 0.811
252 HB2 CYS 36 2HB CYS 36 -0.852 8.112 -1.195
253 HB3 CYS 36 1HB CYS 36 -0.503 8.343 0.505
254 H GLU 37 H GLU 37 -2.454 6.014 2.283
255 HA GLU 37 HA GLU 37 -4.742 7.747 1.769
256 HB2 GLU 37 2HB GLU 37 -4.385 5.501 3.755
257 HB3 GLU 37 1HB GLU 37 -5.821 6.497 3.599
258 HG2 GLU 37 2HG GLU 37 -4.728 4.703 1.454
259 HG3 GLU 37 1HG GLU 37 -6.033 4.281 2.557
260 H TYR 38 H TYR 38 -3.968 9.677 2.448
261 HA TYR 38 HA TYR 38 -2.571 9.924 4.955
262 HB2 TYR 38 2HB TYR 38 -3.649 11.909 2.962
263 HB3 TYR 38 1HB TYR 38 -3.064 12.430 4.531
264 HD1 TYR 38 1HD TYR 38 -0.723 12.358 5.069
265 HD2 TYR 38 2HD TYR 38 -2.104 11.100 1.248
266 HE1 TYR 38 1HE TYR 38 1.564 12.487 4.217
267 HE2 TYR 38 2HE TYR 38 0.190 11.216 0.381
268 HH TYR 38 HH TYR 38 2.281 12.480 0.964
269 H HIS 39 H HIS 39 -3.718 9.433 6.660
270 HA HIS 39 HA HIS 39 -6.519 10.286 6.667
271 HB2 HIS 39 2HB HIS 39 -6.088 7.801 6.607
272 HB3 HIS 39 1HB HIS 39 -5.312 7.956 8.174
273 HD1 HIS 39 1HD HIS 39 -8.607 7.564 6.566
274 HD2 HIS 39 2HD HIS 39 -7.128 8.619 10.304
275 HE1 HIS 39 1HE HIS 39 -10.529 7.336 8.171
276 H GLY 40 H GLY 40 -6.082 12.262 7.544
277 HA2 GLY 40 2HA GLY 40 -6.053 13.707 9.308
278 HA3 GLY 40 1HA GLY 40 -5.976 12.319 10.381
279 H ARG 41 H ARG 41 -3.860 11.338 10.666
280 HA ARG 41 HA ARG 41 -1.973 13.473 11.226
281 HB2 ARG 41 2HB ARG 41 -1.903 10.564 11.986
282 HB3 ARG 41 1HB ARG 41 -0.752 11.772 12.506
283 HG2 ARG 41 2HG ARG 41 -2.517 12.935 13.717
284 HG3 ARG 41 1HG ARG 41 -3.686 11.726 13.168
285 HD2 ARG 41 2HD ARG 41 -2.410 9.968 14.262
286 HD3 ARG 41 1HD ARG 41 -1.204 11.150 14.759
287 HE ARG 41 HE ARG 41 -3.821 11.771 15.700
288 HH11 ARG 41 1HH1 ARG 41 -0.945 9.788 16.317
289 HH12 ARG 41 2HH1 ARG 41 -1.192 9.670 17.990
290 HH21 ARG 41 1HH2 ARG 41 -4.187 11.582 18.034
291 HH22 ARG 41 2HH2 ARG 41 -3.100 10.715 18.992
292 H GLU 42 H GLU 42 -1.553 10.152 9.975
293 HA GLU 42 HA GLU 42 0.629 11.178 8.337
294 HB2 GLU 42 2HB GLU 42 1.381 10.197 10.534
295 HB3 GLU 42 1HB GLU 42 0.682 8.672 10.044
296 HG2 GLU 42 2HG GLU 42 2.330 8.371 8.356
297 HG3 GLU 42 1HG GLU 42 2.898 10.036 8.525
298 H VAL 43 H VAL 43 1.326 8.994 6.968
299 HA VAL 43 HA VAL 43 -1.131 8.453 5.533
300 HB VAL 43 HB VAL 43 0.507 9.650 4.219
301 HG11 VAL 43 1HG1 VAL 43 2.547 8.988 5.342
302 HG12 VAL 43 2HG1 VAL 43 2.664 8.689 3.604
303 HG13 VAL 43 3HG1 VAL 43 2.366 7.349 4.711
304 HG21 VAL 43 1HG2 VAL 43 0.269 6.785 3.324
305 HG22 VAL 43 2HG2 VAL 43 0.722 8.141 2.295
306 HG23 VAL 43 3HG2 VAL 43 -0.887 8.081 3.016
307 H HIS 44 H HIS 44 -1.963 6.581 5.408
308 HA HIS 44 HA HIS 44 -0.442 4.194 6.200
309 HB2 HIS 44 2HB HIS 44 -3.450 4.676 6.052
310 HB3 HIS 44 1HB HIS 44 -2.704 3.146 6.465
311 HD1 HIS 44 1HD HIS 44 -3.441 2.866 8.903
312 HD2 HIS 44 2HD HIS 44 -1.855 6.630 8.079
313 HE1 HIS 44 1HE HIS 44 -3.364 4.091 11.102
314 H CYS 45 H CYS 45 -0.114 2.733 4.571
315 HA CYS 45 HA CYS 45 -1.251 3.409 2.002
316 HB2 CYS 45 2HB CYS 45 1.021 1.715 2.879
317 HB3 CYS 45 1HB CYS 45 0.226 1.320 1.357
318 H HIS 46 H HIS 46 -2.908 2.478 1.207
319 HA HIS 46 HA HIS 46 -3.824 0.005 2.377
320 HB2 HIS 46 2HB HIS 46 -5.030 1.911 0.389
321 HB3 HIS 46 1HB HIS 46 -5.652 0.272 0.537
322 HD1 HIS 46 1HD HIS 46 -7.513 2.578 1.227
323 HD2 HIS 46 2HD HIS 46 -5.050 0.723 4.003
324 HE1 HIS 46 1HE HIS 46 -8.622 2.916 3.467
325 H CYS 47 H CYS 47 -3.033 -1.733 1.753
326 HA CYS 47 HA CYS 47 -1.523 -1.833 -0.696
327 HB2 CYS 47 2HB CYS 47 -1.849 -3.910 1.456
328 HB3 CYS 47 1HB CYS 47 -0.581 -3.823 0.236
329 H TYR 48 H TYR 48 -2.664 -2.308 -2.433
330 HA TYR 48 HA TYR 48 -4.916 -4.134 -2.317
331 HB2 TYR 48 2HB TYR 48 -3.666 -2.546 -4.544
332 HB3 TYR 48 1HB TYR 48 -5.052 -3.607 -4.771
333 HD1 TYR 48 1HD TYR 48 -7.201 -2.982 -3.669
334 HD2 TYR 48 2HD TYR 48 -3.887 -0.339 -3.764
335 HE1 TYR 48 1HE TYR 48 -8.702 -1.116 -3.241
336 HE2 TYR 48 2HE TYR 48 -5.397 1.557 -3.319
337 HH TYR 48 HH TYR 48 -8.643 1.139 -2.382
338 H GLY 49 H GLY 49 -4.825 -6.145 -3.236
339 HA2 GLY 49 2HA GLY 49 -2.183 -6.908 -4.239
340 HA3 GLY 49 1HA GLY 49 -2.927 -7.818 -2.947
341 H ASP 50 H ASP 50 -2.097 -9.058 -5.052
342 HA ASP 50 HA ASP 50 -4.431 -9.603 -6.734
343 HB2 ASP 50 2HB ASP 50 -2.489 -8.907 -7.984
344 HB3 ASP 50 1HB ASP 50 -1.492 -10.117 -7.185
345 H TYR 51 H TYR 51 -5.533 -11.273 -6.004
346 HA TYR 51 HA TYR 51 -4.209 -13.403 -4.583
347 HB2 TYR 51 2HB TYR 51 -7.110 -12.911 -5.254
348 HB3 TYR 51 1HB TYR 51 -6.540 -14.354 -4.429
349 HD1 TYR 51 1HD TYR 51 -5.860 -14.267 -2.123
350 HD2 TYR 51 2HD TYR 51 -7.109 -10.748 -4.139
351 HE1 TYR 51 1HE TYR 51 -6.062 -13.117 0.031
352 HE2 TYR 51 2HE TYR 51 -7.311 -9.588 -2.002
353 HH TYR 51 HH TYR 51 -7.707 -10.284 0.477
354 H HIS 52 H HIS 52 -3.652 -15.204 -5.460
355 HA HIS 52 HA HIS 52 -3.772 -15.524 -8.301
356 HB2 HIS 52 2HB HIS 52 -1.816 -16.220 -6.832
357 HB3 HIS 52 1HB HIS 52 -2.803 -17.575 -6.299
358 HD1 HIS 52 1HD HIS 52 -2.661 -19.675 -7.750
359 HD2 HIS 52 2HD HIS 52 -1.292 -16.250 -9.671
360 HE1 HIS 52 1HE HIS 52 -1.673 -20.447 -9.931
Start of MODEL 4
1 H1 ALA 1 H ALA 1 -5.059 -11.451 -11.459
2 HA ALA 1 HA ALA 1 -7.191 -10.327 -12.707
3 HB1 ALA 1 1HB ALA 1 -8.777 -9.665 -10.959
4 HB2 ALA 1 2HB ALA 1 -7.868 -10.611 -9.780
5 HB3 ALA 1 3HB ALA 1 -8.694 -11.420 -11.111
6 H HIS 2 H HIS 2 -7.717 -7.956 -11.443
7 HA HIS 2 HA HIS 2 -5.049 -6.863 -11.366
8 HB2 HIS 2 2HB HIS 2 -7.739 -5.481 -11.374
9 HB3 HIS 2 1HB HIS 2 -6.191 -4.644 -11.399
10 HD1 HIS 2 1HD HIS 2 -4.871 -4.672 -13.676
11 HD2 HIS 2 2HD HIS 2 -8.509 -6.673 -13.733
12 HE1 HIS 2 1HE HIS 2 -5.341 -5.179 -16.093
13 H CYS 3 H CYS 3 -4.417 -5.276 -9.773
14 HA CYS 3 HA CYS 3 -4.906 -6.418 -7.178
15 HB2 CYS 3 2HB CYS 3 -2.956 -4.271 -7.992
16 HB3 CYS 3 1HB CYS 3 -2.928 -5.230 -6.515
17 H ASP 4 H ASP 4 -7.092 -5.525 -7.044
18 HA ASP 4 HA ASP 4 -6.992 -2.750 -6.040
19 HB2 ASP 4 2HB ASP 4 -9.078 -4.045 -7.715
20 HB3 ASP 4 1HB ASP 4 -9.600 -2.885 -6.502
21 H HIS 5 H HIS 5 -7.200 -5.798 -5.009
22 HA HIS 5 HA HIS 5 -9.350 -5.436 -3.138
23 HB2 HIS 5 2HB HIS 5 -8.800 -7.657 -4.106
24 HB3 HIS 5 1HB HIS 5 -7.242 -7.605 -3.303
25 HD1 HIS 5 1HD HIS 5 -9.261 -9.894 -2.826
26 HD2 HIS 5 2HD HIS 5 -8.934 -6.551 -0.388
27 HE1 HIS 5 1HE HIS 5 -10.106 -10.588 -0.550
28 H PHE 6 H PHE 6 -9.056 -4.050 -1.564
29 HA PHE 6 HA PHE 6 -6.572 -3.376 -0.418
30 HB2 PHE 6 2HB PHE 6 -8.372 -1.788 -0.272
31 HB3 PHE 6 1HB PHE 6 -9.437 -2.969 0.472
32 HD1 PHE 6 1HD PHE 6 -9.692 -2.984 2.748
33 HD2 PHE 6 2HD PHE 6 -6.226 -1.127 1.104
34 HE1 PHE 6 1HE PHE 6 -9.060 -2.190 4.984
35 HE2 PHE 6 2HE PHE 6 -5.604 -0.336 3.342
36 HZ PHE 6 HZ PHE 6 -7.014 -0.863 5.280
37 H LEU 7 H LEU 7 -5.429 -4.843 0.494
38 HA LEU 7 HA LEU 7 -6.557 -7.117 1.904
39 HB2 LEU 7 2HB LEU 7 -3.686 -6.304 1.478
40 HB3 LEU 7 1HB LEU 7 -4.217 -7.847 2.092
41 HG LEU 7 HG LEU 7 -4.611 -6.783 -0.707
42 HD11 LEU 7 1HD1 LEU 7 -3.134 -8.628 -1.336
43 HD12 LEU 7 2HD1 LEU 7 -2.917 -9.023 0.369
44 HD13 LEU 7 3HD1 LEU 7 -2.346 -7.476 -0.258
45 HD21 LEU 7 1HD2 LEU 7 -5.537 -8.987 -1.234
46 HD22 LEU 7 2HD2 LEU 7 -6.531 -8.140 -0.053
47 HD23 LEU 7 3HD2 LEU 7 -5.451 -9.435 0.469
48 H GLY 8 H GLY 8 -4.345 -4.444 2.581
49 HA2 GLY 8 2HA GLY 8 -5.277 -4.083 5.202
50 HA3 GLY 8 1HA GLY 8 -3.770 -4.998 5.190
51 H GLU 9 H GLU 9 -2.864 -3.186 6.281
52 HA GLU 9 HA GLU 9 -2.120 -1.080 4.412
53 HB2 GLU 9 2HB GLU 9 -2.385 0.580 6.220
54 HB3 GLU 9 1HB GLU 9 -3.906 -0.163 5.747
55 HG2 GLU 9 2HG GLU 9 -3.667 -1.704 7.685
56 HG3 GLU 9 1HG GLU 9 -2.269 -0.758 8.188
57 H ALA 10 H ALA 10 -0.141 -0.184 4.776
58 HA ALA 10 HA ALA 10 1.589 -1.503 6.736
59 HB1 ALA 10 1HB ALA 10 1.982 -2.471 4.516
60 HB2 ALA 10 2HB ALA 10 3.369 -1.516 5.039
61 HB3 ALA 10 3HB ALA 10 2.242 -0.857 3.851
62 HA PRO 11 HA PRO 11 2.789 2.768 7.273
63 HB2 PRO 11 2HB PRO 11 4.760 2.475 9.056
64 HB3 PRO 11 1HB PRO 11 3.080 2.118 9.468
65 HG2 PRO 11 2HG PRO 11 5.323 0.252 8.919
66 HG3 PRO 11 1HG PRO 11 3.915 0.037 9.968
67 HD2 PRO 11 2HD PRO 11 4.262 -0.955 7.328
68 HD3 PRO 11 1HD PRO 11 2.789 -1.006 8.317
69 H VAL 12 H VAL 12 4.021 4.116 6.065
70 HA VAL 12 HA VAL 12 6.796 3.763 5.721
71 HB VAL 12 HB VAL 12 6.114 2.274 3.891
72 HG11 VAL 12 1HG1 VAL 12 4.550 4.595 2.804
73 HG12 VAL 12 2HG1 VAL 12 3.913 3.077 3.442
74 HG13 VAL 12 3HG1 VAL 12 4.861 3.079 1.953
75 HG21 VAL 12 1HG2 VAL 12 8.120 3.579 3.501
76 HG22 VAL 12 2HG2 VAL 12 7.156 4.907 2.852
77 HG23 VAL 12 3HG2 VAL 12 7.232 3.370 1.988
78 H TYR 13 H TYR 13 7.713 5.711 5.704
79 HA TYR 13 HA TYR 13 6.242 7.937 4.598
80 HB2 TYR 13 2HB TYR 13 5.687 7.866 7.030
81 HB3 TYR 13 1HB TYR 13 7.405 7.956 7.400
82 HD1 TYR 13 1HD TYR 13 8.508 10.047 7.485
83 HD2 TYR 13 2HD TYR 13 4.593 9.797 5.852
84 HE1 TYR 13 1HE TYR 13 8.392 12.482 7.411
85 HE2 TYR 13 2HE TYR 13 4.456 12.234 5.774
86 HH TYR 13 HH TYR 13 5.495 14.177 6.865
87 HA PRO 14 HA PRO 14 6.596 9.877 3.826
88 HB2 PRO 14 2HB PRO 14 7.379 10.679 1.353
89 HB3 PRO 14 1HB PRO 14 7.865 11.530 2.825
90 HG2 PRO 14 2HG PRO 14 9.403 9.578 1.168
91 HG3 PRO 14 1HG PRO 14 9.960 11.065 1.953
92 HD2 PRO 14 2HD PRO 14 10.380 8.566 2.983
93 HD3 PRO 14 1HD PRO 14 10.260 10.029 3.976
94 H CYS 15 H CYS 15 4.866 9.242 2.532
95 HA CYS 15 HA CYS 15 5.214 6.584 1.479
96 HB2 CYS 15 2HB CYS 15 3.327 7.129 3.031
97 HB3 CYS 15 1HB CYS 15 2.669 8.181 1.784
98 H LYS 16 H LYS 16 6.115 6.692 -0.442
99 HA LYS 16 HA LYS 16 4.972 8.394 -2.489
100 HB2 LYS 16 2HB LYS 16 7.468 8.148 -2.141
101 HB3 LYS 16 1HB LYS 16 7.300 6.461 -2.598
102 HG2 LYS 16 2HG LYS 16 8.088 7.738 -4.467
103 HG3 LYS 16 1HG LYS 16 6.447 7.170 -4.778
104 HD2 LYS 16 2HD LYS 16 5.527 9.291 -4.179
105 HD3 LYS 16 1HD LYS 16 7.113 9.890 -3.702
106 HE2 LYS 16 2HE LYS 16 6.350 9.025 -6.493
107 HE3 LYS 16 1HE LYS 16 6.391 10.693 -5.934
108 HZ1 LYS 16 1HZ LYS 16 8.408 10.026 -7.130
109 HZ2 LYS 16 2HZ LYS 16 8.780 8.909 -5.899
110 HZ3 LYS 16 3HZ LYS 16 8.698 10.550 -5.567
111 H GLU 17 H GLU 17 4.026 7.364 -4.331
112 HA GLU 17 HA GLU 17 2.376 5.191 -3.933
113 HB2 GLU 17 2HB GLU 17 3.518 5.758 -6.667
114 HB3 GLU 17 1HB GLU 17 1.935 5.130 -6.273
115 HG2 GLU 17 2HG GLU 17 1.572 7.330 -7.017
116 HG3 GLU 17 1HG GLU 17 1.457 7.420 -5.264
117 H LYS 18 H LYS 18 5.434 5.176 -5.739
118 HA LYS 18 HA LYS 18 5.548 2.412 -6.193
119 HB2 LYS 18 2HB LYS 18 6.875 4.058 -7.446
120 HB3 LYS 18 1HB LYS 18 7.825 4.387 -6.008
121 HG2 LYS 18 2HG LYS 18 8.652 2.079 -6.035
122 HG3 LYS 18 1HG LYS 18 7.706 1.768 -7.492
123 HD2 LYS 18 2HD LYS 18 8.954 3.523 -8.660
124 HD3 LYS 18 1HD LYS 18 9.912 3.801 -7.208
125 HE2 LYS 18 2HE LYS 18 10.734 1.490 -7.320
126 HE3 LYS 18 1HE LYS 18 9.785 1.231 -8.778
127 HZ1 LYS 18 1HZ LYS 18 12.132 1.765 -9.255
128 HZ2 LYS 18 2HZ LYS 18 11.931 3.262 -8.523
129 HZ3 LYS 18 3HZ LYS 18 11.087 2.895 -9.914
130 H ALA 19 H ALA 19 6.891 4.372 -3.581
131 HA ALA 19 HA ALA 19 8.320 2.294 -2.304
132 HB1 ALA 19 1HB ALA 19 8.421 3.771 -0.365
133 HB2 ALA 19 2HB ALA 19 7.170 4.796 -1.068
134 HB3 ALA 19 3HB ALA 19 8.749 4.672 -1.845
135 H CYS 20 H CYS 20 5.066 3.552 -1.885
136 HA CYS 20 HA CYS 20 4.260 1.978 0.274
137 HB2 CYS 20 2HB CYS 20 3.040 3.969 -0.576
138 HB3 CYS 20 1HB CYS 20 2.642 3.094 -2.044
139 H LYS 21 H LYS 21 3.937 1.497 -3.228
140 HA LYS 21 HA LYS 21 2.731 -1.000 -3.278
141 HB2 LYS 21 2HB LYS 21 3.030 0.449 -5.238
142 HB3 LYS 21 1HB LYS 21 4.762 0.194 -5.175
143 HG2 LYS 21 2HG LYS 21 4.441 -2.162 -5.725
144 HG3 LYS 21 1HG LYS 21 2.693 -1.920 -5.763
145 HD2 LYS 21 2HD LYS 21 2.968 -0.277 -7.571
146 HD3 LYS 21 1HD LYS 21 4.711 -0.540 -7.542
147 HE2 LYS 21 2HE LYS 21 4.360 -2.880 -8.164
148 HE3 LYS 21 1HE LYS 21 2.617 -2.617 -8.180
149 HZ1 LYS 21 1HZ LYS 21 3.497 -2.515 -10.400
150 HZ2 LYS 21 2HZ LYS 21 4.611 -1.336 -9.969
151 HZ3 LYS 21 3HZ LYS 21 2.972 -0.972 -9.976
152 H SER 22 H SER 22 6.144 -0.148 -3.064
153 HA SER 22 HA SER 22 7.172 -2.764 -3.184
154 HB2 SER 22 2HB SER 22 8.513 -0.721 -3.649
155 HB3 SER 22 1HB SER 22 8.417 -0.290 -1.944
156 HG SER 22 HG SER 22 9.344 -2.834 -2.517
157 H VAL 23 H VAL 23 6.573 -0.624 -0.377
158 HA VAL 23 HA VAL 23 7.377 -2.475 1.584
159 HB VAL 23 HB VAL 23 5.517 -0.075 1.812
160 HG11 VAL 23 1HG1 VAL 23 6.871 -1.628 4.024
161 HG12 VAL 23 2HG1 VAL 23 5.141 -1.615 3.685
162 HG13 VAL 23 3HG1 VAL 23 5.944 -0.139 4.223
163 HG21 VAL 23 1HG2 VAL 23 8.439 -0.422 2.455
164 HG22 VAL 23 2HG2 VAL 23 7.495 1.038 2.740
165 HG23 VAL 23 3HG2 VAL 23 7.770 0.472 1.092
166 H CYS 24 H CYS 24 4.227 -1.849 0.137
167 HA CYS 24 HA CYS 24 2.746 -3.561 1.716
168 HB2 CYS 24 2HB CYS 24 2.379 -2.562 -1.066
169 HB3 CYS 24 1HB CYS 24 1.285 -3.779 -0.408
170 H LYS 25 H LYS 25 4.874 -4.370 -0.951
171 HA LYS 25 HA LYS 25 3.859 -7.048 -1.161
172 HB2 LYS 25 2HB LYS 25 6.470 -5.898 -2.127
173 HB3 LYS 25 1HB LYS 25 5.863 -7.494 -2.535
174 HG2 LYS 25 2HG LYS 25 3.901 -6.405 -3.602
175 HG3 LYS 25 1HG LYS 25 4.664 -4.845 -3.297
176 HD2 LYS 25 2HD LYS 25 5.823 -7.087 -4.955
177 HD3 LYS 25 1HD LYS 25 5.071 -5.620 -5.577
178 HE2 LYS 25 2HE LYS 25 6.824 -4.278 -4.511
179 HE3 LYS 25 1HE LYS 25 7.575 -5.749 -3.886
180 HZ1 LYS 25 1HZ LYS 25 7.228 -5.024 -6.731
181 HZ2 LYS 25 2HZ LYS 25 7.921 -6.462 -6.191
182 HZ3 LYS 25 3HZ LYS 25 8.675 -4.992 -5.875
183 H GLU 26 H GLU 26 5.988 -5.450 0.934
184 HA GLU 26 HA GLU 26 7.472 -7.811 1.693
185 HB2 GLU 26 2HB GLU 26 7.359 -5.122 3.075
186 HB3 GLU 26 1HB GLU 26 8.571 -6.374 3.298
187 HG2 GLU 26 2HG GLU 26 8.128 -4.745 0.807
188 HG3 GLU 26 1HG GLU 26 9.445 -4.562 1.960
189 H HIS 27 H HIS 27 4.915 -5.762 2.942
190 HA HIS 27 HA HIS 27 4.553 -7.393 5.298
191 HB2 HIS 27 2HB HIS 27 2.891 -5.134 4.165
192 HB3 HIS 27 1HB HIS 27 2.448 -6.010 5.622
193 HD1 HIS 27 1HD HIS 27 3.346 -5.047 7.750
194 HD2 HIS 27 2HD HIS 27 5.429 -3.786 4.404
195 HE1 HIS 27 1HE HIS 27 5.040 -3.366 8.592
196 H TYR 28 H TYR 28 2.857 -6.992 2.220
197 HA TYR 28 HA TYR 28 1.336 -9.396 2.869
198 HB2 TYR 28 2HB TYR 28 0.459 -7.001 1.232
199 HB3 TYR 28 1HB TYR 28 -0.498 -8.456 1.492
200 HD1 TYR 28 1HD TYR 28 -1.601 -8.834 3.634
201 HD2 TYR 28 2HD TYR 28 0.779 -5.369 2.996
202 HE1 TYR 28 1HE TYR 28 -2.513 -7.837 5.667
203 HE2 TYR 28 2HE TYR 28 -0.105 -4.357 5.016
204 HH TYR 28 HH TYR 28 -1.948 -6.165 7.296
205 H HIS 29 H HIS 29 2.220 -10.932 1.715
206 HA HIS 29 HA HIS 29 3.825 -10.413 -0.533
207 HB2 HIS 29 2HB HIS 29 2.829 -12.990 0.648
208 HB3 HIS 29 1HB HIS 29 3.848 -12.952 -0.784
209 HD1 HIS 29 1HD HIS 29 6.351 -12.699 -0.396
210 HD2 HIS 29 2HD HIS 29 4.090 -11.917 2.999
211 HE1 HIS 29 1HE HIS 29 7.990 -12.487 1.499
212 H HIS 30 H HIS 30 0.481 -10.884 -0.251
213 HA HIS 30 HA HIS 30 0.258 -11.588 -3.048
214 HB2 HIS 30 2HB HIS 30 -1.901 -11.161 -0.978
215 HB3 HIS 30 1HB HIS 30 -2.203 -11.605 -2.654
216 HD1 HIS 30 1HD HIS 30 -1.115 -13.999 -3.372
217 HD2 HIS 30 2HD HIS 30 -1.448 -13.217 0.684
218 HE1 HIS 30 1HE HIS 30 -1.008 -16.249 -2.222
219 H ALA 31 H ALA 31 0.755 -8.797 -1.410
220 HA ALA 31 HA ALA 31 -1.072 -7.119 -2.868
221 HB1 ALA 31 1HB ALA 31 1.271 -6.361 -1.124
222 HB2 ALA 31 2HB ALA 31 -0.413 -6.482 -0.603
223 HB3 ALA 31 3HB ALA 31 0.062 -5.255 -1.775
224 H CYS 32 H CYS 32 -0.635 -5.867 -4.530
225 HA CYS 32 HA CYS 32 2.031 -5.937 -5.694
226 HB2 CYS 32 2HB CYS 32 0.681 -6.296 -7.946
227 HB3 CYS 32 1HB CYS 32 1.220 -7.658 -6.966
228 H LYS 33 H LYS 33 -0.332 -4.069 -4.573
229 HA LYS 33 HA LYS 33 0.575 -1.800 -6.083
230 HB2 LYS 33 2HB LYS 33 -1.380 -2.475 -7.378
231 HB3 LYS 33 1HB LYS 33 -2.352 -2.611 -5.929
232 HG2 LYS 33 2HG LYS 33 -2.149 -0.177 -5.594
233 HG3 LYS 33 1HG LYS 33 -1.195 -0.069 -7.072
234 HD2 LYS 33 2HD LYS 33 -3.088 -0.903 -8.369
235 HD3 LYS 33 1HD LYS 33 -4.037 -1.074 -6.894
236 HE2 LYS 33 2HE LYS 33 -2.931 1.526 -7.958
237 HE3 LYS 33 1HE LYS 33 -4.597 0.985 -8.142
238 HZ1 LYS 33 1HZ LYS 33 -3.218 1.507 -5.575
239 HZ2 LYS 33 2HZ LYS 33 -4.855 1.060 -5.757
240 HZ3 LYS 33 3HZ LYS 33 -4.307 2.549 -6.298
241 H GLY 34 H GLY 34 0.517 0.045 -4.790
242 HA2 GLY 34 2HA GLY 34 -0.798 -0.190 -2.197
243 HA3 GLY 34 1HA GLY 34 0.917 0.231 -2.276
244 H GLU 35 H GLU 35 -1.605 1.771 -1.508
245 HA GLU 35 HA GLU 35 -0.916 4.093 -3.130
246 HB2 GLU 35 2HB GLU 35 -3.055 2.878 -3.958
247 HB3 GLU 35 1HB GLU 35 -3.779 3.462 -2.465
248 HG2 GLU 35 2HG GLU 35 -3.630 5.690 -3.119
249 HG3 GLU 35 1HG GLU 35 -2.500 5.321 -4.421
250 H CYS 36 H CYS 36 -0.918 5.962 -2.004
251 HA CYS 36 HA CYS 36 -0.835 5.656 0.858
252 HB2 CYS 36 2HB CYS 36 -0.193 8.007 -0.906
253 HB3 CYS 36 1HB CYS 36 0.185 7.857 0.809
254 H GLU 37 H GLU 37 -2.299 6.370 2.211
255 HA GLU 37 HA GLU 37 -4.434 8.133 1.228
256 HB2 GLU 37 2HB GLU 37 -4.621 5.678 2.977
257 HB3 GLU 37 1HB GLU 37 -5.926 6.841 2.806
258 HG2 GLU 37 2HG GLU 37 -4.730 5.477 0.422
259 HG3 GLU 37 1HG GLU 37 -5.990 4.711 1.386
260 H TYR 38 H TYR 38 -4.779 9.846 2.514
261 HA TYR 38 HA TYR 38 -3.134 10.012 4.896
262 HB2 TYR 38 2HB TYR 38 -4.492 12.142 3.253
263 HB3 TYR 38 1HB TYR 38 -3.770 12.477 4.822
264 HD1 TYR 38 1HD TYR 38 -1.340 12.258 5.133
265 HD2 TYR 38 2HD TYR 38 -3.113 11.819 1.291
266 HE1 TYR 38 1HE TYR 38 0.860 12.539 4.100
267 HE2 TYR 38 2HE TYR 38 -0.918 12.095 0.244
268 HH TYR 38 HH TYR 38 1.319 13.272 0.974
269 H HIS 39 H HIS 39 -3.940 9.548 6.731
270 HA HIS 39 HA HIS 39 -6.766 10.083 7.256
271 HB2 HIS 39 2HB HIS 39 -6.161 7.672 7.431
272 HB3 HIS 39 1HB HIS 39 -4.895 8.080 8.581
273 HD1 HIS 39 1HD HIS 39 -5.628 8.544 11.031
274 HD2 HIS 39 2HD HIS 39 -8.775 7.732 8.437
275 HE1 HIS 39 1HE HIS 39 -7.635 8.199 12.479
276 H GLY 40 H GLY 40 -6.532 12.158 7.885
277 HA2 GLY 40 2HA GLY 40 -6.171 13.847 9.391
278 HA3 GLY 40 1HA GLY 40 -5.447 12.660 10.480
279 H ARG 41 H ARG 41 -3.372 12.844 10.811
280 HA ARG 41 HA ARG 41 -1.746 14.462 8.971
281 HB2 ARG 41 2HB ARG 41 -1.049 13.430 11.726
282 HB3 ARG 41 1HB ARG 41 -0.206 14.672 10.813
283 HG2 ARG 41 2HG ARG 41 -2.113 16.156 11.032
284 HG3 ARG 41 1HG ARG 41 -3.004 14.901 11.887
285 HD2 ARG 41 2HD ARG 41 -1.216 14.917 13.623
286 HD3 ARG 41 1HD ARG 41 -0.497 16.302 12.796
287 HE ARG 41 HE ARG 41 -3.242 16.704 13.337
288 HH11 ARG 41 1HH1 ARG 41 -0.057 16.888 14.854
289 HH12 ARG 41 2HH1 ARG 41 -0.555 17.943 16.085
290 HH21 ARG 41 1HH2 ARG 41 -3.919 18.169 15.058
291 HH22 ARG 41 2HH2 ARG 41 -2.780 18.690 16.200
292 H GLU 42 H GLU 42 -2.516 11.299 9.715
293 HA GLU 42 HA GLU 42 0.160 10.200 9.412
294 HB2 GLU 42 2HB GLU 42 -2.447 8.856 10.090
295 HB3 GLU 42 1HB GLU 42 -0.844 8.148 10.186
296 HG2 GLU 42 2HG GLU 42 -1.830 10.459 11.841
297 HG3 GLU 42 1HG GLU 42 -1.727 8.782 12.371
298 H VAL 43 H VAL 43 0.748 9.419 7.482
299 HA VAL 43 HA VAL 43 -1.363 8.879 5.567
300 HB VAL 43 HB VAL 43 0.542 10.287 4.774
301 HG11 VAL 43 1HG1 VAL 43 2.375 9.274 6.002
302 HG12 VAL 43 2HG1 VAL 43 2.698 9.263 4.260
303 HG13 VAL 43 3HG1 VAL 43 2.161 7.791 5.066
304 HG21 VAL 43 1HG2 VAL 43 0.893 9.133 2.642
305 HG22 VAL 43 2HG2 VAL 43 -0.789 9.059 3.163
306 HG23 VAL 43 3HG2 VAL 43 0.254 7.649 3.347
307 H HIS 44 H HIS 44 -1.977 6.950 5.085
308 HA HIS 44 HA HIS 44 -0.473 4.704 6.210
309 HB2 HIS 44 2HB HIS 44 -3.428 4.998 5.592
310 HB3 HIS 44 1HB HIS 44 -2.674 3.475 6.031
311 HD1 HIS 44 1HD HIS 44 -3.498 2.989 8.402
312 HD2 HIS 44 2HD HIS 44 -2.422 6.981 7.854
313 HE1 HIS 44 1HE HIS 44 -3.728 4.063 10.614
314 H CYS 45 H CYS 45 0.090 3.079 4.886
315 HA CYS 45 HA CYS 45 -0.249 3.537 2.037
316 HB2 CYS 45 2HB CYS 45 2.007 3.252 2.809
317 HB3 CYS 45 1HB CYS 45 1.583 1.805 3.709
318 H HIS 46 H HIS 46 -2.032 2.564 1.237
319 HA HIS 46 HA HIS 46 -3.010 0.233 2.625
320 HB2 HIS 46 2HB HIS 46 -4.297 2.094 0.630
321 HB3 HIS 46 1HB HIS 46 -5.055 0.591 1.142
322 HD1 HIS 46 1HD HIS 46 -6.778 2.833 1.869
323 HD2 HIS 46 2HD HIS 46 -3.536 1.823 4.272
324 HE1 HIS 46 1HE HIS 46 -7.283 3.767 4.145
325 H CYS 47 H CYS 47 -2.853 -1.675 1.913
326 HA CYS 47 HA CYS 47 -1.320 -2.105 -0.507
327 HB2 CYS 47 2HB CYS 47 -2.021 -3.981 1.741
328 HB3 CYS 47 1HB CYS 47 -0.854 -4.264 0.453
329 H TYR 48 H TYR 48 -2.230 -2.784 -2.278
330 HA TYR 48 HA TYR 48 -4.813 -4.168 -2.149
331 HB2 TYR 48 2HB TYR 48 -3.616 -2.605 -4.440
332 HB3 TYR 48 1HB TYR 48 -5.204 -3.356 -4.414
333 HD1 TYR 48 1HD TYR 48 -3.161 -0.567 -3.289
334 HD2 TYR 48 2HD TYR 48 -7.049 -2.282 -3.203
335 HE1 TYR 48 1HE TYR 48 -4.070 1.546 -2.505
336 HE2 TYR 48 2HE TYR 48 -7.971 -0.158 -2.414
337 HH TYR 48 HH TYR 48 -7.180 1.922 -1.261
338 H GLY 49 H GLY 49 -4.884 -6.132 -3.104
339 HA2 GLY 49 2HA GLY 49 -2.682 -6.918 -4.827
340 HA3 GLY 49 1HA GLY 49 -2.897 -7.814 -3.329
341 H ASP 50 H ASP 50 -2.981 -9.272 -5.341
342 HA ASP 50 HA ASP 50 -5.744 -10.120 -5.462
343 HB2 ASP 50 2HB ASP 50 -5.336 -8.977 -7.635
344 HB3 ASP 50 1HB ASP 50 -3.909 -9.977 -7.883
345 H TYR 51 H TYR 51 -5.780 -12.172 -4.868
346 HA TYR 51 HA TYR 51 -3.380 -13.345 -3.946
347 HB2 TYR 51 2HB TYR 51 -6.140 -14.518 -4.183
348 HB3 TYR 51 1HB TYR 51 -4.803 -15.270 -3.324
349 HD1 TYR 51 1HD TYR 51 -3.905 -14.154 -1.273
350 HD2 TYR 51 2HD TYR 51 -7.470 -12.825 -3.171
351 HE1 TYR 51 1HE TYR 51 -4.546 -12.960 0.770
352 HE2 TYR 51 2HE TYR 51 -8.110 -11.628 -1.141
353 HH TYR 51 HH TYR 51 -7.646 -11.739 1.293
354 H HIS 52 H HIS 52 -1.926 -14.083 -5.323
355 HA HIS 52 HA HIS 52 -2.765 -15.966 -7.384
356 HB2 HIS 52 2HB HIS 52 -0.185 -14.385 -7.059
357 HB3 HIS 52 1HB HIS 52 -0.395 -15.677 -8.221
358 HD1 HIS 52 1HD HIS 52 -1.951 -12.268 -7.446
359 HD2 HIS 52 2HD HIS 52 -1.314 -14.911 -10.586
360 HE1 HIS 52 1HE HIS 52 -2.676 -11.059 -9.518
Start of MODEL 5
1 H1 ALA 1 H ALA 1 -4.135 -10.641 -10.011
2 HA ALA 1 HA ALA 1 -3.067 -9.913 -12.666
3 HB1 ALA 1 1HB ALA 1 -5.794 -11.084 -12.194
4 HB2 ALA 1 2HB ALA 1 -4.448 -11.898 -12.993
5 HB3 ALA 1 3HB ALA 1 -5.178 -10.469 -13.726
6 H HIS 2 H HIS 2 -5.734 -9.426 -10.288
7 HA HIS 2 HA HIS 2 -5.798 -6.656 -11.205
8 HB2 HIS 2 2HB HIS 2 -7.785 -7.827 -12.014
9 HB3 HIS 2 1HB HIS 2 -8.141 -8.394 -10.393
10 HD1 HIS 2 1HD HIS 2 -10.317 -7.210 -9.885
11 HD2 HIS 2 2HD HIS 2 -7.422 -4.668 -11.456
12 HE1 HIS 2 1HE HIS 2 -11.301 -4.911 -9.800
13 H CYS 3 H CYS 3 -5.220 -5.312 -9.707
14 HA CYS 3 HA CYS 3 -5.151 -6.061 -6.906
15 HB2 CYS 3 2HB CYS 3 -4.469 -3.402 -8.173
16 HB3 CYS 3 1HB CYS 3 -3.923 -4.031 -6.625
17 H ASP 4 H ASP 4 -7.139 -5.888 -5.922
18 HA ASP 4 HA ASP 4 -8.635 -3.425 -6.511
19 HB2 ASP 4 2HB ASP 4 -9.713 -5.228 -7.739
20 HB3 ASP 4 1HB ASP 4 -9.874 -6.161 -6.256
21 H HIS 5 H HIS 5 -8.689 -6.195 -4.298
22 HA HIS 5 HA HIS 5 -9.850 -4.487 -2.272
23 HB2 HIS 5 2HB HIS 5 -10.713 -6.804 -2.790
24 HB3 HIS 5 1HB HIS 5 -9.216 -7.429 -2.108
25 HD1 HIS 5 1HD HIS 5 -9.590 -8.222 0.271
26 HD2 HIS 5 2HD HIS 5 -11.968 -4.951 -0.716
27 HE1 HIS 5 1HE HIS 5 -11.009 -7.766 2.279
28 H PHE 6 H PHE 6 -9.034 -4.360 -0.191
29 HA PHE 6 HA PHE 6 -6.219 -3.880 -0.088
30 HB2 PHE 6 2HB PHE 6 -8.271 -3.764 2.134
31 HB3 PHE 6 1HB PHE 6 -6.663 -3.060 2.155
32 HD1 PHE 6 1HD PHE 6 -10.107 -2.702 1.011
33 HD2 PHE 6 2HD PHE 6 -6.192 -1.003 0.868
34 HE1 PHE 6 1HE PHE 6 -11.047 -0.604 0.169
35 HE2 PHE 6 2HE PHE 6 -7.148 1.094 0.028
36 HZ PHE 6 HZ PHE 6 -9.568 1.299 -0.323
37 H LEU 7 H LEU 7 -4.758 -5.145 0.804
38 HA LEU 7 HA LEU 7 -5.533 -7.703 2.022
39 HB2 LEU 7 2HB LEU 7 -2.836 -6.558 1.354
40 HB3 LEU 7 1HB LEU 7 -3.127 -8.168 1.971
41 HG LEU 7 HG LEU 7 -4.066 -7.131 -0.695
42 HD11 LEU 7 1HD1 LEU 7 -2.329 -8.693 -1.527
43 HD12 LEU 7 2HD1 LEU 7 -1.790 -8.889 0.140
44 HD13 LEU 7 3HD1 LEU 7 -1.714 -7.306 -0.637
45 HD21 LEU 7 1HD2 LEU 7 -4.133 -9.902 0.507
46 HD22 LEU 7 2HD2 LEU 7 -4.575 -9.486 -1.148
47 HD23 LEU 7 3HD2 LEU 7 -5.535 -8.875 0.197
48 H GLY 8 H GLY 8 -4.508 -4.558 2.779
49 HA2 GLY 8 2HA GLY 8 -4.988 -4.533 5.395
50 HA3 GLY 8 1HA GLY 8 -3.355 -5.187 5.285
51 H GLU 9 H GLU 9 -3.363 -3.049 6.548
52 HA GLU 9 HA GLU 9 -2.653 -0.848 4.738
53 HB2 GLU 9 2HB GLU 9 -3.275 -0.855 7.687
54 HB3 GLU 9 1HB GLU 9 -2.985 0.556 6.683
55 HG2 GLU 9 2HG GLU 9 -5.022 0.265 5.532
56 HG3 GLU 9 1HG GLU 9 -5.263 -1.341 6.227
57 H ALA 10 H ALA 10 -0.633 0.076 5.133
58 HA ALA 10 HA ALA 10 1.057 -1.212 7.142
59 HB1 ALA 10 1HB ALA 10 2.927 -1.234 5.529
60 HB2 ALA 10 2HB ALA 10 1.841 -0.657 4.265
61 HB3 ALA 10 3HB ALA 10 1.588 -2.242 4.989
62 HA PRO 11 HA PRO 11 2.192 3.065 7.787
63 HB2 PRO 11 2HB PRO 11 4.387 2.769 9.301
64 HB3 PRO 11 1HB PRO 11 2.786 2.366 9.925
65 HG2 PRO 11 2HG PRO 11 4.946 0.560 8.942
66 HG3 PRO 11 1HG PRO 11 3.805 0.321 10.274
67 HD2 PRO 11 2HD PRO 11 3.554 -0.773 7.735
68 HD3 PRO 11 1HD PRO 11 2.232 -0.581 8.900
69 H VAL 12 H VAL 12 3.553 4.605 6.799
70 HA VAL 12 HA VAL 12 5.997 3.716 5.583
71 HB VAL 12 HB VAL 12 4.329 3.035 3.895
72 HG11 VAL 12 1HG1 VAL 12 3.610 5.947 3.712
73 HG12 VAL 12 2HG1 VAL 12 2.580 4.646 4.309
74 HG13 VAL 12 3HG1 VAL 12 3.064 4.683 2.610
75 HG21 VAL 12 1HG2 VAL 12 6.048 5.347 2.989
76 HG22 VAL 12 2HG2 VAL 12 5.336 4.129 1.929
77 HG23 VAL 12 3HG2 VAL 12 6.551 3.663 3.119
78 H TYR 13 H TYR 13 7.444 5.266 5.423
79 HA TYR 13 HA TYR 13 6.799 7.978 4.861
80 HB2 TYR 13 2HB TYR 13 6.562 7.884 7.384
81 HB3 TYR 13 1HB TYR 13 8.240 7.356 7.472
82 HD1 TYR 13 1HD TYR 13 6.016 10.173 6.689
83 HD2 TYR 13 2HD TYR 13 10.062 8.941 7.142
84 HE1 TYR 13 1HE TYR 13 6.730 12.518 6.657
85 HE2 TYR 13 2HE TYR 13 10.779 11.283 7.112
86 HH TYR 13 HH TYR 13 9.969 13.405 6.264
87 HA PRO 14 HA PRO 14 7.856 9.678 4.167
88 HB2 PRO 14 2HB PRO 14 9.141 10.060 1.597
89 HB3 PRO 14 1HB PRO 14 9.270 11.052 3.049
90 HG2 PRO 14 2HG PRO 14 11.336 9.572 2.064
91 HG3 PRO 14 1HG PRO 14 11.152 9.974 3.780
92 HD2 PRO 14 2HD PRO 14 10.453 7.438 2.342
93 HD3 PRO 14 1HD PRO 14 11.244 7.656 3.919
94 H CYS 15 H CYS 15 6.245 10.291 2.581
95 HA CYS 15 HA CYS 15 4.931 7.952 1.577
96 HB2 CYS 15 2HB CYS 15 3.664 9.703 2.729
97 HB3 CYS 15 1HB CYS 15 4.082 10.838 1.454
98 H LYS 16 H LYS 16 4.928 7.197 -0.424
99 HA LYS 16 HA LYS 16 4.767 8.816 -2.649
100 HB2 LYS 16 2HB LYS 16 7.315 8.706 -2.129
101 HB3 LYS 16 1HB LYS 16 7.196 7.018 -2.605
102 HG2 LYS 16 2HG LYS 16 7.949 8.333 -4.475
103 HG3 LYS 16 1HG LYS 16 6.310 7.743 -4.798
104 HD2 LYS 16 2HD LYS 16 5.410 9.868 -3.995
105 HD3 LYS 16 1HD LYS 16 7.032 10.462 -3.737
106 HE2 LYS 16 2HE LYS 16 6.273 11.355 -5.842
107 HE3 LYS 16 1HE LYS 16 7.473 10.114 -6.186
108 HZ1 LYS 16 1HZ LYS 16 4.525 9.827 -6.382
109 HZ2 LYS 16 2HZ LYS 16 5.607 8.564 -6.659
110 HZ3 LYS 16 3HZ LYS 16 5.604 9.922 -7.661
111 H GLU 17 H GLU 17 3.884 7.550 -4.303
112 HA GLU 17 HA GLU 17 2.668 5.223 -3.542
113 HB2 GLU 17 2HB GLU 17 2.310 4.893 -6.127
114 HB3 GLU 17 1HB GLU 17 1.446 6.111 -5.213
115 HG2 GLU 17 2HG GLU 17 2.154 6.955 -7.313
116 HG3 GLU 17 1HG GLU 17 3.013 7.808 -6.046
117 H LYS 18 H LYS 18 5.573 5.433 -5.559
118 HA LYS 18 HA LYS 18 5.851 2.649 -5.836
119 HB2 LYS 18 2HB LYS 18 7.976 4.782 -5.846
120 HB3 LYS 18 1HB LYS 18 8.305 3.095 -6.202
121 HG2 LYS 18 2HG LYS 18 6.693 3.222 -8.065
122 HG3 LYS 18 1HG LYS 18 6.508 4.946 -7.738
123 HD2 LYS 18 2HD LYS 18 8.902 5.278 -8.143
124 HD3 LYS 18 1HD LYS 18 9.084 3.553 -8.452
125 HE2 LYS 18 2HE LYS 18 7.352 5.439 -10.036
126 HE3 LYS 18 1HE LYS 18 8.941 4.855 -10.523
127 HZ1 LYS 18 1HZ LYS 18 8.017 2.581 -10.491
128 HZ2 LYS 18 2HZ LYS 18 7.252 3.583 -11.593
129 HZ3 LYS 18 3HZ LYS 18 6.489 3.211 -10.137
130 H ALA 19 H ALA 19 6.867 4.772 -3.268
131 HA ALA 19 HA ALA 19 8.465 2.917 -1.866
132 HB1 ALA 19 1HB ALA 19 8.505 5.329 -1.361
133 HB2 ALA 19 2HB ALA 19 8.151 4.378 0.083
134 HB3 ALA 19 3HB ALA 19 6.851 5.223 -0.752
135 H CYS 20 H CYS 20 5.085 3.841 -1.531
136 HA CYS 20 HA CYS 20 4.418 2.000 0.488
137 HB2 CYS 20 2HB CYS 20 3.054 3.960 0.003
138 HB3 CYS 20 1HB CYS 20 2.700 3.348 -1.605
139 H LYS 21 H LYS 21 4.289 1.812 -3.042
140 HA LYS 21 HA LYS 21 2.973 -0.638 -3.259
141 HB2 LYS 21 2HB LYS 21 3.337 1.064 -5.048
142 HB3 LYS 21 1HB LYS 21 5.008 0.546 -5.138
143 HG2 LYS 21 2HG LYS 21 4.359 -1.607 -5.956
144 HG3 LYS 21 1HG LYS 21 2.650 -1.244 -5.678
145 HD2 LYS 21 2HD LYS 21 2.808 0.625 -7.251
146 HD3 LYS 21 1HD LYS 21 4.485 0.205 -7.587
147 HE2 LYS 21 2HE LYS 21 3.787 -1.936 -8.474
148 HE3 LYS 21 1HE LYS 21 2.109 -1.590 -8.059
149 HZ1 LYS 21 1HZ LYS 21 3.764 -0.097 -10.025
150 HZ2 LYS 21 2HZ LYS 21 2.183 0.297 -9.602
151 HZ3 LYS 21 3HZ LYS 21 2.508 -1.160 -10.380
152 H SER 22 H SER 22 6.370 0.111 -2.703
153 HA SER 22 HA SER 22 7.170 -2.621 -3.018
154 HB2 SER 22 2HB SER 22 8.764 -0.684 -3.330
155 HB3 SER 22 1HB SER 22 8.687 -0.415 -1.590
156 HG SER 22 HG SER 22 9.781 -2.296 -1.225
157 H VAL 23 H VAL 23 6.540 -0.423 -0.289
158 HA VAL 23 HA VAL 23 7.072 -2.105 1.851
159 HB VAL 23 HB VAL 23 4.919 0.042 1.618
160 HG11 VAL 23 1HG1 VAL 23 4.389 -1.460 3.477
161 HG12 VAL 23 2HG1 VAL 23 4.911 0.118 4.068
162 HG13 VAL 23 3HG1 VAL 23 6.019 -1.251 4.116
163 HG21 VAL 23 1HG2 VAL 23 6.514 1.445 2.815
164 HG22 VAL 23 2HG2 VAL 23 7.200 0.840 1.300
165 HG23 VAL 23 3HG2 VAL 23 7.664 0.109 2.837
166 H CYS 24 H CYS 24 4.037 -1.689 0.104
167 HA CYS 24 HA CYS 24 2.549 -3.538 1.461
168 HB2 CYS 24 2HB CYS 24 2.388 -2.528 -1.341
169 HB3 CYS 24 1HB CYS 24 1.250 -3.730 -0.726
170 H LYS 25 H LYS 25 4.736 -4.163 -1.258
171 HA LYS 25 HA LYS 25 3.914 -6.915 -1.364
172 HB2 LYS 25 2HB LYS 25 6.321 -5.568 -2.591
173 HB3 LYS 25 1HB LYS 25 5.810 -7.219 -2.917
174 HG2 LYS 25 2HG LYS 25 3.666 -6.317 -3.779
175 HG3 LYS 25 1HG LYS 25 4.324 -4.692 -3.578
176 HD2 LYS 25 2HD LYS 25 6.158 -5.256 -5.102
177 HD3 LYS 25 1HD LYS 25 5.484 -6.875 -5.310
178 HE2 LYS 25 2HE LYS 25 3.407 -5.847 -6.146
179 HE3 LYS 25 1HE LYS 25 4.180 -4.265 -6.065
180 HZ1 LYS 25 1HZ LYS 25 5.868 -5.136 -7.628
181 HZ2 LYS 25 2HZ LYS 25 4.324 -5.114 -8.286
182 HZ3 LYS 25 3HZ LYS 25 4.986 -6.565 -7.749
183 H GLU 26 H GLU 26 6.267 -5.088 0.358
184 HA GLU 26 HA GLU 26 7.769 -7.409 1.077
185 HB2 GLU 26 2HB GLU 26 7.964 -4.564 2.064
186 HB3 GLU 26 1HB GLU 26 9.083 -5.856 2.503
187 HG2 GLU 26 2HG GLU 26 9.591 -6.160 0.086
188 HG3 GLU 26 1HG GLU 26 8.571 -4.772 -0.251
189 H HIS 27 H HIS 27 5.034 -5.817 2.337
190 HA HIS 27 HA HIS 27 5.258 -7.445 4.775
191 HB2 HIS 27 2HB HIS 27 3.305 -5.233 4.100
192 HB3 HIS 27 1HB HIS 27 3.192 -6.218 5.548
193 HD1 HIS 27 1HD HIS 27 4.483 -5.347 7.566
194 HD2 HIS 27 2HD HIS 27 5.706 -3.663 3.980
195 HE1 HIS 27 1HE HIS 27 6.070 -3.506 8.182
196 H TYR 28 H TYR 28 3.204 -7.036 1.928
197 HA TYR 28 HA TYR 28 1.722 -9.452 2.695
198 HB2 TYR 28 2HB TYR 28 0.716 -7.101 1.058
199 HB3 TYR 28 1HB TYR 28 -0.225 -8.497 1.569
200 HD1 TYR 28 1HD TYR 28 -0.914 -8.717 3.943
201 HD2 TYR 28 2HD TYR 28 1.161 -5.280 2.546
202 HE1 TYR 28 1HE TYR 28 -1.522 -7.518 5.985
203 HE2 TYR 28 2HE TYR 28 0.559 -4.075 4.581
204 HH TYR 28 HH TYR 28 -0.992 -4.130 6.429
205 H HIS 29 H HIS 29 2.265 -11.054 1.361
206 HA HIS 29 HA HIS 29 3.922 -10.609 -0.873
207 HB2 HIS 29 2HB HIS 29 2.507 -13.133 -0.019
208 HB3 HIS 29 1HB HIS 29 3.767 -13.050 -1.245
209 HD1 HIS 29 1HD HIS 29 3.418 -13.943 2.178
210 HD2 HIS 29 2HD HIS 29 6.194 -11.720 0.018
211 HE1 HIS 29 1HE HIS 29 5.488 -13.889 3.582
212 H HIS 30 H HIS 30 0.475 -10.958 -0.604
213 HA HIS 30 HA HIS 30 0.170 -11.495 -3.435
214 HB2 HIS 30 2HB HIS 30 -1.833 -11.126 -1.223
215 HB3 HIS 30 1HB HIS 30 -2.312 -11.228 -2.908
216 HD1 HIS 30 1HD HIS 30 -2.574 -13.486 -3.853
217 HD2 HIS 30 2HD HIS 30 -0.539 -13.500 -0.250
218 HE1 HIS 30 1HE HIS 30 -2.297 -15.947 -3.206
219 H ALA 31 H ALA 31 1.028 -8.797 -1.963
220 HA ALA 31 HA ALA 31 -0.935 -6.996 -3.018
221 HB1 ALA 31 1HB ALA 31 0.493 -5.219 -2.191
222 HB2 ALA 31 2HB ALA 31 1.772 -6.382 -1.848
223 HB3 ALA 31 3HB ALA 31 0.256 -6.448 -0.951
224 H CYS 32 H CYS 32 -0.862 -5.872 -4.792
225 HA CYS 32 HA CYS 32 1.533 -6.132 -6.424
226 HB2 CYS 32 2HB CYS 32 -0.060 -6.064 -8.412
227 HB3 CYS 32 1HB CYS 32 0.005 -7.544 -7.457
228 H LYS 33 H LYS 33 -0.897 -4.043 -5.129
229 HA LYS 33 HA LYS 33 0.538 -1.786 -6.297
230 HB2 LYS 33 2HB LYS 33 -1.594 -2.101 -7.566
231 HB3 LYS 33 1HB LYS 33 -2.487 -1.968 -6.064
232 HG2 LYS 33 2HG LYS 33 -1.487 0.328 -5.784
233 HG3 LYS 33 1HG LYS 33 -0.868 0.180 -7.423
234 HD2 LYS 33 2HD LYS 33 -3.771 0.080 -6.592
235 HD3 LYS 33 1HD LYS 33 -2.965 1.437 -7.363
236 HE2 LYS 33 2HE LYS 33 -2.562 0.046 -9.357
237 HE3 LYS 33 1HE LYS 33 -3.393 -1.300 -8.575
238 HZ1 LYS 33 1HZ LYS 33 -4.570 1.315 -9.319
239 HZ2 LYS 33 2HZ LYS 33 -5.362 0.154 -8.421
240 HZ3 LYS 33 3HZ LYS 33 -4.948 -0.183 -10.013
241 H GLY 34 H GLY 34 0.779 -0.109 -4.832
242 HA2 GLY 34 2HA GLY 34 -0.630 -0.347 -2.293
243 HA3 GLY 34 1HA GLY 34 1.126 -0.152 -2.311
244 H GLU 35 H GLU 35 -1.522 1.563 -1.816
245 HA GLU 35 HA GLU 35 -0.366 3.848 -3.210
246 HB2 GLU 35 2HB GLU 35 -2.614 3.214 -4.097
247 HB3 GLU 35 1HB GLU 35 -3.292 3.593 -2.515
248 HG2 GLU 35 2HG GLU 35 -3.536 5.424 -4.181
249 HG3 GLU 35 1HG GLU 35 -2.663 5.892 -2.720
250 H CYS 36 H CYS 36 -0.073 5.656 -2.214
251 HA CYS 36 HA CYS 36 0.144 5.445 0.699
252 HB2 CYS 36 2HB CYS 36 2.105 5.872 -0.915
253 HB3 CYS 36 1HB CYS 36 1.399 7.456 -1.172
254 H GLU 37 H GLU 37 -1.797 6.241 1.533
255 HA GLU 37 HA GLU 37 -2.743 8.795 0.410
256 HB2 GLU 37 2HB GLU 37 -4.454 6.520 1.365
257 HB3 GLU 37 1HB GLU 37 -5.043 8.077 0.804
258 HG2 GLU 37 2HG GLU 37 -3.983 7.581 -1.398
259 HG3 GLU 37 1HG GLU 37 -3.629 5.965 -0.785
260 H TYR 38 H TYR 38 -3.142 10.352 1.795
261 HA TYR 38 HA TYR 38 -2.494 9.929 4.537
262 HB2 TYR 38 2HB TYR 38 -3.247 12.394 2.997
263 HB3 TYR 38 1HB TYR 38 -3.000 12.409 4.738
264 HD1 TYR 38 1HD TYR 38 -1.306 11.811 1.487
265 HD2 TYR 38 2HD TYR 38 -0.837 12.374 5.673
266 HE1 TYR 38 1HE TYR 38 1.097 12.072 1.171
267 HE2 TYR 38 2HE TYR 38 1.574 12.642 5.374
268 HH TYR 38 HH TYR 38 2.989 13.110 2.334
269 H HIS 39 H HIS 39 -3.690 9.650 6.176
270 HA HIS 39 HA HIS 39 -6.515 10.242 6.108
271 HB2 HIS 39 2HB HIS 39 -5.365 7.483 6.618
272 HB3 HIS 39 1HB HIS 39 -6.964 7.960 7.169
273 HD1 HIS 39 1HD HIS 39 -5.053 7.102 4.032
274 HD2 HIS 39 2HD HIS 39 -8.907 8.123 5.206
275 HE1 HIS 39 1HE HIS 39 -6.546 6.633 2.046
276 H GLY 40 H GLY 40 -7.154 11.007 8.003
277 HA2 GLY 40 2HA GLY 40 -7.034 11.665 10.194
278 HA3 GLY 40 1HA GLY 40 -5.767 10.460 10.441
279 H ARG 41 H ARG 41 -3.858 11.277 10.915
280 HA ARG 41 HA ARG 41 -3.192 13.897 9.762
281 HB2 ARG 41 2HB ARG 41 -2.338 12.776 12.430
282 HB3 ARG 41 1HB ARG 41 -1.811 14.316 11.763
283 HG2 ARG 41 2HG ARG 41 -4.061 15.164 11.808
284 HG3 ARG 41 1HG ARG 41 -4.674 13.604 12.345
285 HD2 ARG 41 2HD ARG 41 -3.327 13.835 14.401
286 HD3 ARG 41 1HD ARG 41 -2.831 15.442 13.855
287 HE ARG 41 HE ARG 41 -5.521 15.528 13.727
288 HH11 ARG 41 1HH1 ARG 41 -3.258 14.807 16.341
289 HH12 ARG 41 2HH1 ARG 41 -4.326 15.271 17.586
290 HH21 ARG 41 1HH2 ARG 41 -6.964 16.174 15.389
291 HH22 ARG 41 2HH2 ARG 41 -6.513 16.061 17.026
292 H GLU 42 H GLU 42 -2.539 10.747 9.397
293 HA GLU 42 HA GLU 42 0.173 11.353 8.564
294 HB2 GLU 42 2HB GLU 42 0.975 9.175 9.325
295 HB3 GLU 42 1HB GLU 42 0.393 10.144 10.664
296 HG2 GLU 42 2HG GLU 42 -1.692 8.848 10.664
297 HG3 GLU 42 1HG GLU 42 -1.053 7.857 9.350
298 H VAL 43 H VAL 43 0.789 8.924 7.428
299 HA VAL 43 HA VAL 43 -1.284 8.815 5.399
300 HB VAL 43 HB VAL 43 0.741 9.931 4.586
301 HG11 VAL 43 1HG1 VAL 43 2.828 8.688 4.267
302 HG12 VAL 43 2HG1 VAL 43 2.145 7.350 5.188
303 HG13 VAL 43 3HG1 VAL 43 2.417 8.910 5.968
304 HG21 VAL 43 1HG2 VAL 43 0.282 7.227 3.371
305 HG22 VAL 43 2HG2 VAL 43 1.099 8.576 2.585
306 HG23 VAL 43 3HG2 VAL 43 -0.607 8.706 3.015
307 H HIS 44 H HIS 44 -1.963 6.896 4.668
308 HA HIS 44 HA HIS 44 -0.894 4.566 6.071
309 HB2 HIS 44 2HB HIS 44 -3.694 5.043 5.003
310 HB3 HIS 44 1HB HIS 44 -3.133 3.530 5.698
311 HD1 HIS 44 1HD HIS 44 -5.537 4.850 6.992
312 HD2 HIS 44 2HD HIS 44 -1.625 5.634 8.157
313 HE1 HIS 44 1HE HIS 44 -5.672 5.733 9.352
314 H CYS 45 H CYS 45 -0.274 2.883 4.883
315 HA CYS 45 HA CYS 45 -0.132 3.268 2.010
316 HB2 CYS 45 2HB CYS 45 1.896 2.762 3.401
317 HB3 CYS 45 1HB CYS 45 1.160 1.242 3.861
318 H HIS 46 H HIS 46 -1.867 2.486 0.984
319 HA HIS 46 HA HIS 46 -3.379 0.283 2.116
320 HB2 HIS 46 2HB HIS 46 -3.923 2.203 -0.136
321 HB3 HIS 46 1HB HIS 46 -4.897 0.760 0.103
322 HD1 HIS 46 1HD HIS 46 -5.709 3.971 0.508
323 HD2 HIS 46 2HD HIS 46 -5.150 0.982 3.363
324 HE1 HIS 46 1HE HIS 46 -7.086 4.612 2.477
325 H CYS 47 H CYS 47 -2.848 -1.635 1.654
326 HA CYS 47 HA CYS 47 -1.328 -2.176 -0.739
327 HB2 CYS 47 2HB CYS 47 -1.988 -3.898 1.637
328 HB3 CYS 47 1HB CYS 47 -0.844 -4.293 0.349
329 H TYR 48 H TYR 48 -2.445 -2.603 -2.469
330 HA TYR 48 HA TYR 48 -5.016 -3.993 -2.296
331 HB2 TYR 48 2HB TYR 48 -3.654 -2.694 -4.666
332 HB3 TYR 48 1HB TYR 48 -5.282 -3.347 -4.649
333 HD1 TYR 48 1HD TYR 48 -3.168 -0.506 -3.845
334 HD2 TYR 48 2HD TYR 48 -7.073 -2.138 -3.402
335 HE1 TYR 48 1HE TYR 48 -4.017 1.705 -3.247
336 HE2 TYR 48 2HE TYR 48 -7.928 0.077 -2.799
337 HH TYR 48 HH TYR 48 -6.199 2.929 -3.277
338 H GLY 49 H GLY 49 -5.168 -6.052 -3.028
339 HA2 GLY 49 2HA GLY 49 -2.782 -7.124 -4.358
340 HA3 GLY 49 1HA GLY 49 -3.426 -7.906 -2.925
341 H ASP 50 H ASP 50 -3.252 -9.562 -4.686
342 HA ASP 50 HA ASP 50 -5.897 -9.857 -5.931
343 HB2 ASP 50 2HB ASP 50 -4.150 -9.356 -7.625
344 HB3 ASP 50 1HB ASP 50 -3.211 -10.717 -7.039
345 H TYR 51 H TYR 51 -6.877 -11.544 -4.974
346 HA TYR 51 HA TYR 51 -5.361 -13.369 -3.371
347 HB2 TYR 51 2HB TYR 51 -8.312 -13.324 -4.069
348 HB3 TYR 51 1HB TYR 51 -7.585 -14.411 -2.894
349 HD1 TYR 51 1HD TYR 51 -9.114 -11.233 -3.409
350 HD2 TYR 51 2HD TYR 51 -6.410 -13.307 -0.874
351 HE1 TYR 51 1HE TYR 51 -9.454 -9.543 -1.689
352 HE2 TYR 51 2HE TYR 51 -6.735 -11.631 0.867
353 HH TYR 51 HH TYR 51 -7.455 -9.262 1.050
354 H HIS 52 H HIS 52 -4.274 -14.880 -4.267
355 HA HIS 52 HA HIS 52 -5.331 -16.499 -6.418
356 HB2 HIS 52 2HB HIS 52 -4.205 -14.639 -7.576
357 HB3 HIS 52 1HB HIS 52 -2.783 -14.852 -6.578
358 HD1 HIS 52 1HD HIS 52 -0.939 -16.041 -7.773
359 HD2 HIS 52 2HD HIS 52 -4.690 -17.128 -9.206
360 HE1 HIS 52 1HE HIS 52 -0.521 -17.616 -9.683
Start of MODEL 6
1 H1 ALA 1 H ALA 1 -8.255 -10.000 -10.743
2 HA ALA 1 HA ALA 1 -5.561 -10.803 -11.189
3 HB1 ALA 1 1HB ALA 1 -6.428 -11.480 -13.391
4 HB2 ALA 1 2HB ALA 1 -5.245 -10.179 -13.502
5 HB3 ALA 1 3HB ALA 1 -6.962 -9.823 -13.664
6 H HIS 2 H HIS 2 -7.910 -8.440 -10.532
7 HA HIS 2 HA HIS 2 -6.254 -6.190 -11.249
8 HB2 HIS 2 2HB HIS 2 -8.908 -6.377 -9.824
9 HB3 HIS 2 1HB HIS 2 -8.056 -4.869 -10.092
10 HD1 HIS 2 1HD HIS 2 -10.832 -6.474 -11.414
11 HD2 HIS 2 2HD HIS 2 -7.409 -4.864 -13.136
12 HE1 HIS 2 1HE HIS 2 -11.432 -5.970 -13.801
13 H CYS 3 H CYS 3 -5.329 -4.756 -9.798
14 HA CYS 3 HA CYS 3 -4.709 -5.847 -7.192
15 HB2 CYS 3 2HB CYS 3 -3.798 -3.290 -8.548
16 HB3 CYS 3 1HB CYS 3 -3.181 -3.903 -7.016
17 H ASP 4 H ASP 4 -6.827 -5.744 -6.466
18 HA ASP 4 HA ASP 4 -7.821 -3.024 -5.861
19 HB2 ASP 4 2HB ASP 4 -9.144 -3.965 -7.651
20 HB3 ASP 4 1HB ASP 4 -9.429 -5.428 -6.726
21 H HIS 5 H HIS 5 -7.447 -6.323 -4.803
22 HA HIS 5 HA HIS 5 -9.106 -6.112 -2.516
23 HB2 HIS 5 2HB HIS 5 -8.630 -8.275 -3.587
24 HB3 HIS 5 1HB HIS 5 -6.929 -8.111 -3.181
25 HD1 HIS 5 1HD HIS 5 -6.299 -8.465 -0.620
26 HD2 HIS 5 2HD HIS 5 -10.281 -9.155 -1.563
27 HE1 HIS 5 1HE HIS 5 -7.275 -9.699 1.344
28 H PHE 6 H PHE 6 -8.678 -5.163 -0.708
29 HA PHE 6 HA PHE 6 -6.182 -3.969 -0.046
30 HB2 PHE 6 2HB PHE 6 -8.563 -4.548 1.738
31 HB3 PHE 6 1HB PHE 6 -7.215 -3.503 2.135
32 HD1 PHE 6 1HD PHE 6 -7.058 -1.266 1.184
33 HD2 PHE 6 2HD PHE 6 -10.309 -3.846 0.230
34 HE1 PHE 6 1HE PHE 6 -8.324 0.646 0.328
35 HE2 PHE 6 2HE PHE 6 -11.573 -1.929 -0.640
36 HZ PHE 6 HZ PHE 6 -10.584 0.324 -0.588
37 H LEU 7 H LEU 7 -4.528 -5.336 0.318
38 HA LEU 7 HA LEU 7 -4.851 -7.864 1.664
39 HB2 LEU 7 2HB LEU 7 -2.356 -6.301 1.031
40 HB3 LEU 7 1HB LEU 7 -2.409 -7.971 1.550
41 HG LEU 7 HG LEU 7 -3.541 -6.935 -1.046
42 HD11 LEU 7 1HD1 LEU 7 -1.034 -8.467 -0.435
43 HD12 LEU 7 2HD1 LEU 7 -1.134 -6.786 -0.965
44 HD13 LEU 7 3HD1 LEU 7 -1.646 -8.084 -2.042
45 HD21 LEU 7 1HD2 LEU 7 -3.732 -9.282 -1.630
46 HD22 LEU 7 2HD2 LEU 7 -4.681 -8.935 -0.183
47 HD23 LEU 7 3HD2 LEU 7 -3.123 -9.743 -0.044
48 H GLY 8 H GLY 8 -3.943 -4.625 2.451
49 HA2 GLY 8 2HA GLY 8 -4.594 -4.608 5.037
50 HA3 GLY 8 1HA GLY 8 -2.950 -5.245 5.037
51 H GLU 9 H GLU 9 -2.443 -3.319 6.182
52 HA GLU 9 HA GLU 9 -2.010 -1.080 4.375
53 HB2 GLU 9 2HB GLU 9 -2.253 0.421 6.384
54 HB3 GLU 9 1HB GLU 9 -3.741 -0.341 5.848
55 HG2 GLU 9 2HG GLU 9 -3.533 -1.997 7.634
56 HG3 GLU 9 1HG GLU 9 -2.044 -1.227 8.173
57 H ALA 10 H ALA 10 0.010 -0.561 4.172
58 HA ALA 10 HA ALA 10 1.963 -1.819 5.933
59 HB1 ALA 10 1HB ALA 10 2.336 -0.465 3.259
60 HB2 ALA 10 2HB ALA 10 2.228 -2.204 3.528
61 HB3 ALA 10 3HB ALA 10 3.590 -1.293 4.181
62 HA PRO 11 HA PRO 11 2.782 2.177 7.687
63 HB2 PRO 11 2HB PRO 11 5.011 1.555 9.091
64 HB3 PRO 11 1HB PRO 11 3.402 1.033 9.601
65 HG2 PRO 11 2HG PRO 11 5.540 -0.512 8.208
66 HG3 PRO 11 1HG PRO 11 4.422 -1.043 9.473
67 HD2 PRO 11 2HD PRO 11 4.102 -1.573 6.789
68 HD3 PRO 11 1HD PRO 11 2.778 -1.537 7.968
69 H VAL 12 H VAL 12 3.392 3.516 6.060
70 HA VAL 12 HA VAL 12 6.194 3.393 5.220
71 HB VAL 12 HB VAL 12 3.949 4.192 3.349
72 HG11 VAL 12 1HG1 VAL 12 5.636 4.052 1.605
73 HG12 VAL 12 2HG1 VAL 12 6.823 3.513 2.785
74 HG13 VAL 12 3HG1 VAL 12 6.176 5.144 2.890
75 HG21 VAL 12 1HG2 VAL 12 3.709 1.798 3.827
76 HG22 VAL 12 2HG2 VAL 12 5.407 1.550 3.411
77 HG23 VAL 12 3HG2 VAL 12 4.265 2.066 2.173
78 H TYR 13 H TYR 13 6.993 5.144 6.193
79 HA TYR 13 HA TYR 13 5.789 7.642 5.408
80 HB2 TYR 13 2HB TYR 13 5.118 7.338 7.784
81 HB3 TYR 13 1HB TYR 13 6.813 7.160 8.235
82 HD1 TYR 13 1HD TYR 13 8.288 9.101 8.338
83 HD2 TYR 13 2HD TYR 13 4.244 9.534 7.086
84 HE1 TYR 13 1HE TYR 13 8.501 11.529 8.510
85 HE2 TYR 13 2HE TYR 13 4.459 11.972 7.263
86 HH TYR 13 HH TYR 13 7.404 13.527 7.523
87 HA PRO 14 HA PRO 14 6.220 9.467 4.799
88 HB2 PRO 14 2HB PRO 14 7.635 10.253 2.376
89 HB3 PRO 14 1HB PRO 14 7.133 11.246 3.755
90 HG2 PRO 14 2HG PRO 14 9.746 10.698 3.219
91 HG3 PRO 14 1HG PRO 14 9.119 10.992 4.849
92 HD2 PRO 14 2HD PRO 14 9.714 8.387 3.495
93 HD3 PRO 14 1HD PRO 14 10.096 8.908 5.152
94 H CYS 15 H CYS 15 4.574 8.916 3.479
95 HA CYS 15 HA CYS 15 4.863 6.421 2.083
96 HB2 CYS 15 2HB CYS 15 2.939 6.944 3.605
97 HB3 CYS 15 1HB CYS 15 2.391 8.116 2.412
98 H LYS 16 H LYS 16 5.375 6.293 0.069
99 HA LYS 16 HA LYS 16 4.342 8.284 -1.787
100 HB2 LYS 16 2HB LYS 16 7.131 7.105 -1.827
101 HB3 LYS 16 1HB LYS 16 6.439 8.113 -3.090
102 HG2 LYS 16 2HG LYS 16 6.974 8.960 -0.254
103 HG3 LYS 16 1HG LYS 16 7.956 9.359 -1.668
104 HD2 LYS 16 2HD LYS 16 6.066 10.580 -2.638
105 HD3 LYS 16 1HD LYS 16 5.072 10.151 -1.247
106 HE2 LYS 16 2HE LYS 16 6.589 11.372 0.225
107 HE3 LYS 16 1HE LYS 16 7.591 11.791 -1.161
108 HZ1 LYS 16 1HZ LYS 16 5.744 13.038 -2.081
109 HZ2 LYS 16 2HZ LYS 16 6.095 13.600 -0.540
110 HZ3 LYS 16 3HZ LYS 16 4.758 12.601 -0.791
111 H GLU 17 H GLU 17 4.357 7.428 -4.002
112 HA GLU 17 HA GLU 17 2.661 5.221 -4.087
113 HB2 GLU 17 2HB GLU 17 2.916 7.267 -5.625
114 HB3 GLU 17 1HB GLU 17 4.186 6.362 -6.411
115 HG2 GLU 17 2HG GLU 17 1.333 5.451 -6.201
116 HG3 GLU 17 1HG GLU 17 1.987 6.352 -7.558
117 H LYS 18 H LYS 18 5.860 5.453 -5.655
118 HA LYS 18 HA LYS 18 6.003 2.683 -6.249
119 HB2 LYS 18 2HB LYS 18 8.282 4.668 -6.066
120 HB3 LYS 18 1HB LYS 18 8.329 3.095 -6.841
121 HG2 LYS 18 2HG LYS 18 6.759 3.801 -8.518
122 HG3 LYS 18 1HG LYS 18 6.517 5.340 -7.691
123 HD2 LYS 18 2HD LYS 18 8.005 5.638 -9.589
124 HD3 LYS 18 1HD LYS 18 8.882 5.904 -8.086
125 HE2 LYS 18 2HE LYS 18 9.784 3.617 -8.232
126 HE3 LYS 18 1HE LYS 18 8.929 3.382 -9.747
127 HZ1 LYS 18 1HZ LYS 18 11.195 3.966 -10.167
128 HZ2 LYS 18 2HZ LYS 18 11.096 5.320 -9.210
129 HZ3 LYS 18 3HZ LYS 18 10.215 5.243 -10.667
130 H ALA 19 H ALA 19 7.225 4.601 -3.598
131 HA ALA 19 HA ALA 19 8.810 2.624 -2.350
132 HB1 ALA 19 1HB ALA 19 7.332 4.912 -1.044
133 HB2 ALA 19 2HB ALA 19 8.932 5.032 -1.781
134 HB3 ALA 19 3HB ALA 19 8.684 4.012 -0.362
135 H CYS 20 H CYS 20 5.361 3.448 -1.940
136 HA CYS 20 HA CYS 20 5.059 1.555 0.123
137 HB2 CYS 20 2HB CYS 20 3.496 3.448 -0.208
138 HB3 CYS 20 1HB CYS 20 2.904 2.660 -1.671
139 H LYS 21 H LYS 21 4.577 1.395 -3.425
140 HA LYS 21 HA LYS 21 3.526 -1.128 -3.627
141 HB2 LYS 21 2HB LYS 21 5.401 0.509 -5.226
142 HB3 LYS 21 1HB LYS 21 4.957 -1.083 -5.797
143 HG2 LYS 21 2HG LYS 21 2.602 -0.275 -5.807
144 HG3 LYS 21 1HG LYS 21 3.198 1.317 -5.330
145 HD2 LYS 21 2HD LYS 21 2.991 1.483 -7.656
146 HD3 LYS 21 1HD LYS 21 4.699 1.169 -7.410
147 HE2 LYS 21 2HE LYS 21 2.610 -0.862 -8.239
148 HE3 LYS 21 1HE LYS 21 3.787 -0.111 -9.302
149 HZ1 LYS 21 1HZ LYS 21 4.278 -2.064 -7.129
150 HZ2 LYS 21 2HZ LYS 21 5.530 -1.240 -7.898
151 HZ3 LYS 21 3HZ LYS 21 4.525 -2.269 -8.774
152 H SER 22 H SER 22 6.802 -0.034 -3.138
153 HA SER 22 HA SER 22 8.128 -2.517 -3.363
154 HB2 SER 22 2HB SER 22 8.896 0.027 -1.913
155 HB3 SER 22 1HB SER 22 10.035 -1.239 -2.321
156 HG SER 22 HG SER 22 8.476 0.228 -4.215
157 H VAL 23 H VAL 23 7.198 -0.568 -0.506
158 HA VAL 23 HA VAL 23 7.995 -2.391 1.469
159 HB VAL 23 HB VAL 23 5.854 -0.239 1.638
160 HG11 VAL 23 1HG1 VAL 23 7.345 -1.649 3.848
161 HG12 VAL 23 2HG1 VAL 23 5.631 -1.824 3.479
162 HG13 VAL 23 3HG1 VAL 23 6.255 -0.281 4.067
163 HG21 VAL 23 1HG2 VAL 23 8.007 0.649 0.988
164 HG22 VAL 23 2HG2 VAL 23 8.782 -0.197 2.324
165 HG23 VAL 23 3HG2 VAL 23 7.646 1.115 2.654
166 H CYS 24 H CYS 24 4.900 -2.036 -0.176
167 HA CYS 24 HA CYS 24 3.478 -3.874 1.340
168 HB2 CYS 24 2HB CYS 24 3.129 -2.974 -1.506
169 HB3 CYS 24 1HB CYS 24 2.035 -4.106 -0.711
170 H LYS 25 H LYS 25 5.785 -4.451 -1.257
171 HA LYS 25 HA LYS 25 5.027 -7.221 -1.500
172 HB2 LYS 25 2HB LYS 25 7.451 -5.730 -2.481
173 HB3 LYS 25 1HB LYS 25 7.145 -7.434 -2.770
174 HG2 LYS 25 2HG LYS 25 5.127 -6.840 -4.021
175 HG3 LYS 25 1HG LYS 25 5.479 -5.132 -3.741
176 HD2 LYS 25 2HD LYS 25 6.266 -5.796 -5.955
177 HD3 LYS 25 1HD LYS 25 7.630 -5.391 -4.917
178 HE2 LYS 25 2HE LYS 25 8.009 -7.800 -4.508
179 HE3 LYS 25 1HE LYS 25 6.647 -8.179 -5.562
180 HZ1 LYS 25 1HZ LYS 25 8.734 -8.413 -6.686
181 HZ2 LYS 25 2HZ LYS 25 9.161 -6.822 -6.349
182 HZ3 LYS 25 3HZ LYS 25 7.856 -7.161 -7.393
183 H GLU 26 H GLU 26 6.764 -5.421 0.707
184 HA GLU 26 HA GLU 26 8.520 -7.608 1.440
185 HB2 GLU 26 2HB GLU 26 8.227 -4.888 2.718
186 HB3 GLU 26 1HB GLU 26 9.517 -6.055 2.981
187 HG2 GLU 26 2HG GLU 26 8.952 -4.623 0.395
188 HG3 GLU 26 1HG GLU 26 10.234 -4.225 1.534
189 H HIS 27 H HIS 27 5.693 -5.906 2.529
190 HA HIS 27 HA HIS 27 5.567 -7.504 4.963
191 HB2 HIS 27 2HB HIS 27 3.842 -5.233 3.981
192 HB3 HIS 27 1HB HIS 27 3.459 -6.159 5.423
193 HD1 HIS 27 1HD HIS 27 4.401 -5.210 7.541
194 HD2 HIS 27 2HD HIS 27 6.488 -3.981 4.175
195 HE1 HIS 27 1HE HIS 27 6.115 -3.547 8.366
196 H TYR 28 H TYR 28 4.250 -7.588 1.797
197 HA TYR 28 HA TYR 28 2.511 -9.807 2.574
198 HB2 TYR 28 2HB TYR 28 1.709 -7.610 0.631
199 HB3 TYR 28 1HB TYR 28 0.733 -9.000 1.090
200 HD1 TYR 28 1HD TYR 28 1.861 -5.675 2.032
201 HD2 TYR 28 2HD TYR 28 -0.291 -9.095 3.358
202 HE1 TYR 28 1HE TYR 28 0.925 -4.360 3.873
203 HE2 TYR 28 2HE TYR 28 -1.241 -7.780 5.196
204 HH TYR 28 HH TYR 28 -0.635 -5.749 6.507
205 H HIS 29 H HIS 29 1.829 -10.952 0.426
206 HA HIS 29 HA HIS 29 4.263 -11.126 -1.215
207 HB2 HIS 29 2HB HIS 29 2.048 -13.183 -0.943
208 HB3 HIS 29 1HB HIS 29 3.562 -13.390 -1.802
209 HD1 HIS 29 1HD HIS 29 2.078 -14.519 1.158
210 HD2 HIS 29 2HD HIS 29 5.800 -12.873 0.293
211 HE1 HIS 29 1HE HIS 29 3.571 -15.201 3.038
212 H HIS 30 H HIS 30 0.743 -11.118 -1.426
213 HA HIS 30 HA HIS 30 0.696 -11.092 -4.326
214 HB2 HIS 30 2HB HIS 30 -1.476 -10.898 -2.247
215 HB3 HIS 30 1HB HIS 30 -1.794 -10.796 -3.967
216 HD1 HIS 30 1HD HIS 30 -2.707 -12.935 -4.770
217 HD2 HIS 30 2HD HIS 30 0.098 -13.503 -1.763
218 HE1 HIS 30 1HE HIS 30 -2.609 -15.431 -4.352
219 H ALA 31 H ALA 31 1.809 -8.729 -2.754
220 HA ALA 31 HA ALA 31 -0.165 -6.687 -3.341
221 HB1 ALA 31 1HB ALA 31 2.555 -6.375 -2.095
222 HB2 ALA 31 2HB ALA 31 1.034 -6.565 -1.220
223 HB3 ALA 31 3HB ALA 31 1.305 -5.140 -2.231
224 H CYS 32 H CYS 32 -0.185 -5.525 -5.075
225 HA CYS 32 HA CYS 32 2.254 -5.380 -6.688
226 HB2 CYS 32 2HB CYS 32 0.520 -5.159 -8.628
227 HB3 CYS 32 1HB CYS 32 0.909 -6.749 -7.973
228 H LYS 33 H LYS 33 -0.422 -3.643 -5.323
229 HA LYS 33 HA LYS 33 0.758 -1.163 -6.331
230 HB2 LYS 33 2HB LYS 33 -1.202 -1.454 -7.643
231 HB3 LYS 33 1HB LYS 33 -2.142 -1.991 -6.266
232 HG2 LYS 33 2HG LYS 33 -2.857 0.211 -6.834
233 HG3 LYS 33 1HG LYS 33 -1.960 0.306 -5.327
234 HD2 LYS 33 2HD LYS 33 0.039 1.021 -6.678
235 HD3 LYS 33 1HD LYS 33 -1.037 1.121 -8.080
236 HE2 LYS 33 2HE LYS 33 -2.493 2.673 -6.765
237 HE3 LYS 33 1HE LYS 33 -1.281 2.606 -5.491
238 HZ1 LYS 33 1HZ LYS 33 -0.917 3.751 -8.201
239 HZ2 LYS 33 2HZ LYS 33 0.329 3.517 -7.082
240 HZ3 LYS 33 3HZ LYS 33 -0.955 4.548 -6.696
241 H GLY 34 H GLY 34 1.209 0.258 -4.700
242 HA2 GLY 34 2HA GLY 34 -0.276 -0.088 -2.191
243 HA3 GLY 34 1HA GLY 34 1.411 0.440 -2.272
244 H GLU 35 H GLU 35 -1.421 1.707 -1.582
245 HA GLU 35 HA GLU 35 -0.649 4.206 -2.869
246 HB2 GLU 35 2HB GLU 35 -2.588 3.134 -4.172
247 HB3 GLU 35 1HB GLU 35 -3.555 3.431 -2.742
248 HG2 GLU 35 2HG GLU 35 -3.783 5.165 -4.506
249 HG3 GLU 35 1HG GLU 35 -3.321 5.768 -2.914
250 H CYS 36 H CYS 36 -0.835 5.931 -1.720
251 HA CYS 36 HA CYS 36 -0.996 5.553 1.114
252 HB2 CYS 36 2HB CYS 36 -0.459 8.047 -0.484
253 HB3 CYS 36 1HB CYS 36 -0.173 7.828 1.241
254 H GLU 37 H GLU 37 -2.566 6.055 2.396
255 HA GLU 37 HA GLU 37 -5.014 7.244 1.326
256 HB2 GLU 37 2HB GLU 37 -4.475 5.628 3.832
257 HB3 GLU 37 1HB GLU 37 -6.052 6.166 3.278
258 HG2 GLU 37 2HG GLU 37 -4.311 4.351 1.635
259 HG3 GLU 37 1HG GLU 37 -5.431 3.740 2.848
260 H TYR 38 H TYR 38 -4.725 9.412 1.626
261 HA TYR 38 HA TYR 38 -3.528 10.355 4.100
262 HB2 TYR 38 2HB TYR 38 -4.333 11.854 1.599
263 HB3 TYR 38 1HB TYR 38 -3.670 12.613 3.036
264 HD1 TYR 38 1HD TYR 38 -2.921 10.689 0.034
265 HD2 TYR 38 2HD TYR 38 -1.294 12.250 3.643
266 HE1 TYR 38 1HE TYR 38 -0.662 10.378 -0.858
267 HE2 TYR 38 2HE TYR 38 0.974 11.936 2.765
268 HH TYR 38 HH TYR 38 2.150 10.542 1.028
269 H HIS 39 H HIS 39 -4.898 10.340 5.697
270 HA HIS 39 HA HIS 39 -7.223 12.062 5.509
271 HB2 HIS 39 2HB HIS 39 -8.108 9.764 5.089
272 HB3 HIS 39 1HB HIS 39 -7.395 9.236 6.607
273 HD1 HIS 39 1HD HIS 39 -8.851 9.505 8.693
274 HD2 HIS 39 2HD HIS 39 -10.247 11.689 5.436
275 HE1 HIS 39 1HE HIS 39 -11.069 10.443 9.379
276 H GLY 40 H GLY 40 -6.767 13.500 7.002
277 HA2 GLY 40 2HA GLY 40 -6.610 14.216 9.216
278 HA3 GLY 40 1HA GLY 40 -6.112 12.598 9.691
279 H ARG 41 H ARG 41 -4.237 12.991 10.683
280 HA ARG 41 HA ARG 41 -2.253 14.680 9.339
281 HB2 ARG 41 2HB ARG 41 -2.758 15.140 11.725
282 HB3 ARG 41 1HB ARG 41 -2.215 13.521 12.126
283 HG2 ARG 41 2HG ARG 41 0.032 14.069 11.372
284 HG3 ARG 41 1HG ARG 41 -0.500 15.693 10.942
285 HD2 ARG 41 2HD ARG 41 -0.566 14.481 13.700
286 HD3 ARG 41 1HD ARG 41 0.610 15.666 13.128
287 HE ARG 41 HE ARG 41 -1.665 16.941 12.685
288 HH11 ARG 41 1HH1 ARG 41 -0.599 15.175 15.576
289 HH12 ARG 41 2HH1 ARG 41 -1.474 16.143 16.661
290 HH21 ARG 41 1HH2 ARG 41 -2.851 18.297 14.232
291 HH22 ARG 41 2HH2 ARG 41 -2.763 17.943 15.892
292 H GLU 42 H GLU 42 -2.900 11.405 10.306
293 HA GLU 42 HA GLU 42 -0.244 10.485 9.670
294 HB2 GLU 42 2HB GLU 42 -2.764 8.981 10.403
295 HB3 GLU 42 1HB GLU 42 -1.210 8.225 10.110
296 HG2 GLU 42 2HG GLU 42 -1.856 10.184 12.293
297 HG3 GLU 42 1HG GLU 42 -1.633 8.446 12.480
298 H VAL 43 H VAL 43 -0.264 8.408 8.250
299 HA VAL 43 HA VAL 43 -2.141 8.533 6.109
300 HB VAL 43 HB VAL 43 -0.411 10.078 5.289
301 HG11 VAL 43 1HG1 VAL 43 1.875 9.351 4.844
302 HG12 VAL 43 2HG1 VAL 43 1.513 7.807 5.615
303 HG13 VAL 43 3HG1 VAL 43 1.501 9.294 6.576
304 HG21 VAL 43 1HG2 VAL 43 0.158 8.964 3.179
305 HG22 VAL 43 2HG2 VAL 43 -1.519 8.681 3.646
306 HG23 VAL 43 3HG2 VAL 43 -0.314 7.416 3.878
307 H HIS 44 H HIS 44 -2.773 6.604 5.810
308 HA HIS 44 HA HIS 44 -1.114 4.308 6.566
309 HB2 HIS 44 2HB HIS 44 -4.004 4.425 5.624
310 HB3 HIS 44 1HB HIS 44 -3.174 2.996 6.214
311 HD1 HIS 44 1HD HIS 44 -5.112 5.939 7.343
312 HD2 HIS 44 2HD HIS 44 -2.670 3.031 9.011
313 HE1 HIS 44 1HE HIS 44 -5.618 5.963 9.794
314 H CYS 45 H CYS 45 -0.882 2.571 4.881
315 HA CYS 45 HA CYS 45 -1.519 3.588 2.232
316 HB2 CYS 45 2HB CYS 45 0.948 3.833 2.768
317 HB3 CYS 45 1HB CYS 45 1.016 2.069 2.820
318 H HIS 46 H HIS 46 -2.723 2.206 1.155
319 HA HIS 46 HA HIS 46 -2.964 -0.415 2.324
320 HB2 HIS 46 2HB HIS 46 -4.723 1.105 0.450
321 HB3 HIS 46 1HB HIS 46 -4.875 -0.641 0.607
322 HD1 HIS 46 1HD HIS 46 -6.616 2.118 1.802
323 HD2 HIS 46 2HD HIS 46 -4.789 -1.120 3.676
324 HE1 HIS 46 1HE HIS 46 -7.736 1.873 4.007
325 H CYS 47 H CYS 47 -2.430 -2.170 1.501
326 HA CYS 47 HA CYS 47 -0.920 -2.141 -0.975
327 HB2 CYS 47 2HB CYS 47 -1.245 -4.279 1.126
328 HB3 CYS 47 1HB CYS 47 -0.105 -4.305 -0.220
329 H TYR 48 H TYR 48 -2.062 -2.529 -2.692
330 HA TYR 48 HA TYR 48 -4.505 -4.112 -2.521
331 HB2 TYR 48 2HB TYR 48 -3.483 -2.344 -4.748
332 HB3 TYR 48 1HB TYR 48 -5.054 -3.130 -4.686
333 HD1 TYR 48 1HD TYR 48 -2.993 -0.407 -3.405
334 HD2 TYR 48 2HD TYR 48 -6.822 -2.240 -3.259
335 HE1 TYR 48 1HE TYR 48 -3.873 1.559 -2.294
336 HE2 TYR 48 2HE TYR 48 -7.727 -0.262 -2.142
337 HH TYR 48 HH TYR 48 -5.976 2.679 -1.912
338 H GLY 49 H GLY 49 -4.741 -5.906 -3.684
339 HA2 GLY 49 2HA GLY 49 -2.975 -6.598 -5.835
340 HA3 GLY 49 1HA GLY 49 -2.733 -7.573 -4.388
341 H ASP 50 H ASP 50 -3.395 -9.274 -5.874
342 HA ASP 50 HA ASP 50 -6.322 -9.580 -5.745
343 HB2 ASP 50 2HB ASP 50 -5.373 -9.515 -8.128
344 HB3 ASP 50 1HB ASP 50 -4.484 -10.980 -7.725
345 H TYR 51 H TYR 51 -6.770 -11.047 -4.206
346 HA TYR 51 HA TYR 51 -4.487 -12.615 -3.278
347 HB2 TYR 51 2HB TYR 51 -5.583 -10.711 -1.899
348 HB3 TYR 51 1HB TYR 51 -6.883 -11.859 -1.646
349 HD1 TYR 51 1HD TYR 51 -3.211 -12.489 -1.721
350 HD2 TYR 51 2HD TYR 51 -6.734 -12.322 0.632
351 HE1 TYR 51 1HE TYR 51 -1.962 -13.306 0.180
352 HE2 TYR 51 2HE TYR 51 -5.481 -13.158 2.566
353 HH TYR 51 HH TYR 51 -3.390 -14.358 3.090
354 H HIS 52 H HIS 52 -5.172 -14.614 -2.168
355 HA HIS 52 HA HIS 52 -7.228 -15.923 -3.770
356 HB2 HIS 52 2HB HIS 52 -4.898 -16.952 -3.584
357 HB3 HIS 52 1HB HIS 52 -5.238 -17.235 -1.884
358 HD1 HIS 52 1HD HIS 52 -5.510 -18.839 -5.129
359 HD2 HIS 52 2HD HIS 52 -7.595 -19.012 -1.543
360 HE1 HIS 52 1HE HIS 52 -6.766 -21.006 -5.169
Start of MODEL 7
1 H1 ALA 1 H ALA 1 -4.288 -10.765 -12.438
2 HA ALA 1 HA ALA 1 -7.096 -10.771 -11.555
3 HB1 ALA 1 1HB ALA 1 -4.771 -11.259 -9.690
4 HB2 ALA 1 2HB ALA 1 -5.995 -12.443 -10.135
5 HB3 ALA 1 3HB ALA 1 -6.448 -11.014 -9.208
6 H HIS 2 H HIS 2 -7.559 -8.872 -10.242
7 HA HIS 2 HA HIS 2 -5.798 -6.679 -11.065
8 HB2 HIS 2 2HB HIS 2 -8.653 -6.551 -10.056
9 HB3 HIS 2 1HB HIS 2 -7.716 -5.225 -10.725
10 HD1 HIS 2 1HD HIS 2 -10.454 -7.101 -11.715
11 HD2 HIS 2 2HD HIS 2 -6.796 -6.311 -13.526
12 HE1 HIS 2 1HE HIS 2 -10.805 -7.485 -14.158
13 H CYS 3 H CYS 3 -5.014 -5.267 -9.526
14 HA CYS 3 HA CYS 3 -5.191 -6.199 -6.826
15 HB2 CYS 3 2HB CYS 3 -3.596 -3.946 -8.068
16 HB3 CYS 3 1HB CYS 3 -3.560 -4.348 -6.354
17 H ASP 4 H ASP 4 -7.382 -5.902 -6.851
18 HA ASP 4 HA ASP 4 -8.375 -3.150 -6.506
19 HB2 ASP 4 2HB ASP 4 -9.531 -4.475 -8.193
20 HB3 ASP 4 1HB ASP 4 -9.817 -5.755 -7.028
21 H HIS 5 H HIS 5 -7.837 -6.163 -4.889
22 HA HIS 5 HA HIS 5 -9.624 -5.550 -2.719
23 HB2 HIS 5 2HB HIS 5 -7.661 -7.834 -2.990
24 HB3 HIS 5 1HB HIS 5 -8.947 -7.697 -1.801
25 HD1 HIS 5 1HD HIS 5 -8.213 -9.122 -5.055
26 HD2 HIS 5 2HD HIS 5 -11.599 -7.758 -3.070
27 HE1 HIS 5 1HE HIS 5 -10.168 -10.104 -6.277
28 H PHE 6 H PHE 6 -9.034 -4.341 -1.107
29 HA PHE 6 HA PHE 6 -6.380 -3.583 -0.483
30 HB2 PHE 6 2HB PHE 6 -8.152 -2.111 0.155
31 HB3 PHE 6 1HB PHE 6 -9.028 -3.381 0.982
32 HD1 PHE 6 1HD PHE 6 -8.565 -3.901 3.258
33 HD2 PHE 6 2HD PHE 6 -6.138 -1.062 1.193
34 HE1 PHE 6 1HE PHE 6 -7.608 -3.169 5.393
35 HE2 PHE 6 2HE PHE 6 -5.187 -0.343 3.332
36 HZ PHE 6 HZ PHE 6 -5.922 -1.395 5.434
37 H LEU 7 H LEU 7 -4.940 -4.903 0.278
38 HA LEU 7 HA LEU 7 -5.717 -7.382 1.602
39 HB2 LEU 7 2HB LEU 7 -3.006 -6.429 0.691
40 HB3 LEU 7 1HB LEU 7 -3.367 -8.019 1.325
41 HG LEU 7 HG LEU 7 -4.377 -6.867 -1.275
42 HD11 LEU 7 1HD1 LEU 7 -2.051 -7.435 -1.384
43 HD12 LEU 7 2HD1 LEU 7 -2.986 -8.635 -2.272
44 HD13 LEU 7 3HD1 LEU 7 -2.363 -9.013 -0.667
45 HD21 LEU 7 1HD2 LEU 7 -4.819 -9.588 -0.049
46 HD22 LEU 7 2HD2 LEU 7 -5.267 -9.116 -1.687
47 HD23 LEU 7 3HD2 LEU 7 -6.047 -8.345 -0.307
48 H GLY 8 H GLY 8 -4.157 -4.332 2.292
49 HA2 GLY 8 2HA GLY 8 -4.543 -4.485 4.987
50 HA3 GLY 8 1HA GLY 8 -2.956 -5.188 4.694
51 H GLU 9 H GLU 9 -2.853 -3.164 6.181
52 HA GLU 9 HA GLU 9 -2.262 -0.799 4.554
53 HB2 GLU 9 2HB GLU 9 -4.111 -0.506 6.111
54 HB3 GLU 9 1HB GLU 9 -3.102 -1.073 7.432
55 HG2 GLU 9 2HG GLU 9 -1.580 0.856 6.926
56 HG3 GLU 9 1HG GLU 9 -2.851 1.462 5.865
57 H ALA 10 H ALA 10 -0.149 -0.419 4.466
58 HA ALA 10 HA ALA 10 1.575 -1.471 6.587
59 HB1 ALA 10 1HB ALA 10 3.389 -1.369 4.969
60 HB2 ALA 10 2HB ALA 10 2.287 -0.723 3.748
61 HB3 ALA 10 3HB ALA 10 2.066 -2.366 4.362
62 HA PRO 11 HA PRO 11 2.225 2.827 7.552
63 HB2 PRO 11 2HB PRO 11 4.191 2.502 9.407
64 HB3 PRO 11 1HB PRO 11 2.497 2.139 9.747
65 HG2 PRO 11 2HG PRO 11 4.738 0.288 9.080
66 HG3 PRO 11 1HG PRO 11 3.411 0.064 10.236
67 HD2 PRO 11 2HD PRO 11 3.503 -1.043 7.722
68 HD3 PRO 11 1HD PRO 11 2.005 -0.722 8.613
69 H VAL 12 H VAL 12 3.239 4.081 6.090
70 HA VAL 12 HA VAL 12 6.082 3.650 5.562
71 HB VAL 12 HB VAL 12 4.024 4.236 3.395
72 HG11 VAL 12 1HG1 VAL 12 7.010 3.838 3.178
73 HG12 VAL 12 2HG1 VAL 12 6.145 5.359 2.968
74 HG13 VAL 12 3HG1 VAL 12 5.901 4.041 1.822
75 HG21 VAL 12 1HG2 VAL 12 3.933 1.900 4.063
76 HG22 VAL 12 2HG2 VAL 12 5.678 1.759 3.862
77 HG23 VAL 12 3HG2 VAL 12 4.650 2.047 2.458
78 H TYR 13 H TYR 13 7.044 5.449 6.194
79 HA TYR 13 HA TYR 13 5.836 7.993 5.482
80 HB2 TYR 13 2HB TYR 13 5.124 7.557 7.788
81 HB3 TYR 13 1HB TYR 13 6.789 7.261 8.264
82 HD1 TYR 13 1HD TYR 13 7.929 8.986 9.293
83 HD2 TYR 13 2HD TYR 13 4.715 9.931 6.677
84 HE1 TYR 13 1HE TYR 13 8.197 11.347 9.836
85 HE2 TYR 13 2HE TYR 13 4.968 12.298 7.206
86 HH TYR 13 HH TYR 13 7.691 13.498 8.909
87 HA PRO 14 HA PRO 14 6.318 9.869 4.895
88 HB2 PRO 14 2HB PRO 14 7.786 10.884 2.632
89 HB3 PRO 14 1HB PRO 14 7.355 11.734 4.115
90 HG2 PRO 14 2HG PRO 14 9.931 11.089 3.425
91 HG3 PRO 14 1HG PRO 14 9.383 11.313 5.093
92 HD2 PRO 14 2HD PRO 14 9.781 8.773 3.554
93 HD3 PRO 14 1HD PRO 14 10.232 9.143 5.230
94 H CYS 15 H CYS 15 5.297 10.297 2.617
95 HA CYS 15 HA CYS 15 4.929 7.699 1.426
96 HB2 CYS 15 2HB CYS 15 2.899 8.825 1.814
97 HB3 CYS 15 1HB CYS 15 3.510 10.332 1.136
98 H LYS 16 H LYS 16 5.702 7.019 -0.392
99 HA LYS 16 HA LYS 16 6.112 8.814 -2.529
100 HB2 LYS 16 2HB LYS 16 8.331 8.372 -1.276
101 HB3 LYS 16 1HB LYS 16 8.215 6.731 -1.902
102 HG2 LYS 16 2HG LYS 16 9.666 8.166 -3.276
103 HG3 LYS 16 1HG LYS 16 8.250 7.608 -4.184
104 HD2 LYS 16 2HD LYS 16 7.133 9.660 -3.877
105 HD3 LYS 16 1HD LYS 16 8.323 10.230 -2.720
106 HE2 LYS 16 2HE LYS 16 8.823 9.701 -5.657
107 HE3 LYS 16 1HE LYS 16 8.529 11.290 -4.962
108 HZ1 LYS 16 1HZ LYS 16 10.537 10.965 -3.605
109 HZ2 LYS 16 2HZ LYS 16 10.828 10.998 -5.249
110 HZ3 LYS 16 3HZ LYS 16 10.866 9.527 -4.444
111 H GLU 17 H GLU 17 5.342 7.793 -4.276
112 HA GLU 17 HA GLU 17 3.698 5.642 -3.867
113 HB2 GLU 17 2HB GLU 17 3.569 5.489 -6.458
114 HB3 GLU 17 1HB GLU 17 2.950 6.887 -5.605
115 HG2 GLU 17 2HG GLU 17 4.079 7.499 -7.604
116 HG3 GLU 17 1HG GLU 17 4.941 8.146 -6.216
117 H LYS 18 H LYS 18 6.900 5.459 -5.243
118 HA LYS 18 HA LYS 18 6.731 2.644 -5.677
119 HB2 LYS 18 2HB LYS 18 9.143 4.436 -5.513
120 HB3 LYS 18 1HB LYS 18 9.216 2.731 -5.951
121 HG2 LYS 18 2HG LYS 18 7.788 3.135 -7.856
122 HG3 LYS 18 1HG LYS 18 7.631 4.826 -7.397
123 HD2 LYS 18 2HD LYS 18 10.066 5.081 -7.694
124 HD3 LYS 18 1HD LYS 18 10.136 3.409 -8.265
125 HE2 LYS 18 2HE LYS 18 10.029 4.952 -10.151
126 HE3 LYS 18 1HE LYS 18 8.576 3.957 -10.068
127 HZ1 LYS 18 1HZ LYS 18 8.821 6.760 -9.121
128 HZ2 LYS 18 2HZ LYS 18 7.412 5.851 -9.012
129 HZ3 LYS 18 3HZ LYS 18 8.037 6.275 -10.520
130 H ALA 19 H ALA 19 7.822 4.570 -2.980
131 HA ALA 19 HA ALA 19 9.027 2.500 -1.481
132 HB1 ALA 19 1HB ALA 19 7.587 4.963 -0.465
133 HB2 ALA 19 2HB ALA 19 9.290 4.895 -0.909
134 HB3 ALA 19 3HB ALA 19 8.695 3.957 0.461
135 H CYS 20 H CYS 20 5.828 3.821 -1.602
136 HA CYS 20 HA CYS 20 4.485 2.341 0.326
137 HB2 CYS 20 2HB CYS 20 3.777 4.385 -1.054
138 HB3 CYS 20 1HB CYS 20 3.397 3.267 -2.343
139 H LYS 21 H LYS 21 4.790 1.744 -3.180
140 HA LYS 21 HA LYS 21 3.484 -0.729 -3.292
141 HB2 LYS 21 2HB LYS 21 3.916 0.700 -5.227
142 HB3 LYS 21 1HB LYS 21 5.638 0.422 -5.062
143 HG2 LYS 21 2HG LYS 21 5.311 -1.937 -5.603
144 HG3 LYS 21 1HG LYS 21 3.571 -1.660 -5.756
145 HD2 LYS 21 2HD LYS 21 3.984 -0.040 -7.530
146 HD3 LYS 21 1HD LYS 21 5.718 -0.315 -7.385
147 HE2 LYS 21 2HE LYS 21 5.391 -2.653 -8.048
148 HE3 LYS 21 1HE LYS 21 3.659 -2.370 -8.170
149 HZ1 LYS 21 1HZ LYS 21 5.701 -0.956 -9.795
150 HZ2 LYS 21 2HZ LYS 21 4.015 -0.837 -9.951
151 HZ3 LYS 21 3HZ LYS 21 4.803 -2.284 -10.303
152 H SER 22 H SER 22 6.926 0.062 -2.892
153 HA SER 22 HA SER 22 7.964 -2.523 -3.029
154 HB2 SER 22 2HB SER 22 9.295 -0.407 -3.171
155 HB3 SER 22 1HB SER 22 9.039 -0.168 -1.449
156 HG SER 22 HG SER 22 10.399 -1.696 -0.988
157 H VAL 23 H VAL 23 6.889 -0.613 -0.229
158 HA VAL 23 HA VAL 23 7.548 -2.585 1.690
159 HB VAL 23 HB VAL 23 5.614 -0.251 1.901
160 HG11 VAL 23 1HG1 VAL 23 6.861 -1.926 4.084
161 HG12 VAL 23 2HG1 VAL 23 5.159 -1.926 3.617
162 HG13 VAL 23 3HG1 VAL 23 5.877 -0.481 4.326
163 HG21 VAL 23 1HG2 VAL 23 8.487 -0.538 2.743
164 HG22 VAL 23 2HG2 VAL 23 7.463 0.865 3.050
165 HG23 VAL 23 3HG2 VAL 23 7.887 0.426 1.395
166 H CYS 24 H CYS 24 4.552 -1.794 -0.022
167 HA CYS 24 HA CYS 24 2.925 -3.648 1.238
168 HB2 CYS 24 2HB CYS 24 2.835 -2.442 -1.497
169 HB3 CYS 24 1HB CYS 24 1.668 -3.674 -1.012
170 H LYS 25 H LYS 25 5.189 -4.158 -1.401
171 HA LYS 25 HA LYS 25 4.383 -6.877 -1.686
172 HB2 LYS 25 2HB LYS 25 6.729 -5.355 -2.763
173 HB3 LYS 25 1HB LYS 25 6.562 -7.093 -2.985
174 HG2 LYS 25 2HG LYS 25 4.394 -6.702 -4.076
175 HG3 LYS 25 1HG LYS 25 4.680 -4.965 -3.939
176 HD2 LYS 25 2HD LYS 25 6.596 -5.093 -5.332
177 HD3 LYS 25 1HD LYS 25 6.583 -6.856 -5.297
178 HE2 LYS 25 2HE LYS 25 4.458 -5.103 -6.517
179 HE3 LYS 25 1HE LYS 25 5.713 -5.965 -7.407
180 HZ1 LYS 25 1HZ LYS 25 3.696 -7.248 -7.458
181 HZ2 LYS 25 2HZ LYS 25 3.527 -7.194 -5.800
182 HZ3 LYS 25 3HZ LYS 25 4.797 -8.055 -6.491
183 H GLU 26 H GLU 26 6.359 -5.300 0.569
184 HA GLU 26 HA GLU 26 7.875 -7.665 1.230
185 HB2 GLU 26 2HB GLU 26 7.494 -5.096 2.779
186 HB3 GLU 26 1HB GLU 26 8.579 -6.396 3.237
187 HG2 GLU 26 2HG GLU 26 9.797 -6.036 1.104
188 HG3 GLU 26 1HG GLU 26 8.771 -4.628 0.822
189 H HIS 27 H HIS 27 5.048 -5.966 2.321
190 HA HIS 27 HA HIS 27 4.579 -7.792 4.486
191 HB2 HIS 27 2HB HIS 27 2.829 -5.638 3.286
192 HB3 HIS 27 1HB HIS 27 2.288 -6.680 4.592
193 HD1 HIS 27 1HD HIS 27 2.828 -5.870 6.932
194 HD2 HIS 27 2HD HIS 27 5.093 -4.022 3.994
195 HE1 HIS 27 1HE HIS 27 4.128 -4.074 8.112
196 H TYR 28 H TYR 28 3.132 -7.294 1.269
197 HA TYR 28 HA TYR 28 2.023 -9.996 1.488
198 HB2 TYR 28 2HB TYR 28 0.634 -7.681 0.127
199 HB3 TYR 28 1HB TYR 28 -0.016 -9.280 0.448
200 HD1 TYR 28 1HD TYR 28 -0.588 -9.908 2.834
201 HD2 TYR 28 2HD TYR 28 0.506 -5.950 1.712
202 HE1 TYR 28 1HE TYR 28 -1.527 -9.059 4.930
203 HE2 TYR 28 2HE TYR 28 -0.409 -5.085 3.794
204 HH TYR 28 HH TYR 28 -1.170 -7.003 6.415
205 H HIS 29 H HIS 29 2.962 -11.168 -0.106
206 HA HIS 29 HA HIS 29 4.184 -9.850 -2.359
207 HB2 HIS 29 2HB HIS 29 3.967 -12.769 -1.605
208 HB3 HIS 29 1HB HIS 29 4.686 -12.244 -3.122
209 HD1 HIS 29 1HD HIS 29 7.086 -11.401 -3.036
210 HD2 HIS 29 2HD HIS 29 5.436 -12.040 0.722
211 HE1 HIS 29 1HE HIS 29 8.992 -11.180 -1.393
212 H HIS 30 H HIS 30 1.171 -10.510 -1.694
213 HA HIS 30 HA HIS 30 0.283 -11.291 -4.368
214 HB2 HIS 30 2HB HIS 30 -1.283 -10.821 -1.816
215 HB3 HIS 30 1HB HIS 30 -1.965 -11.387 -3.334
216 HD1 HIS 30 1HD HIS 30 -1.972 -13.859 -3.682
217 HD2 HIS 30 2HD HIS 30 0.540 -12.693 -0.596
218 HE1 HIS 30 1HE HIS 30 -1.167 -16.012 -2.538
219 H ALA 31 H ALA 31 1.198 -8.542 -2.849
220 HA ALA 31 HA ALA 31 -0.950 -6.861 -3.908
221 HB1 ALA 31 1HB ALA 31 1.362 -6.148 -2.099
222 HB2 ALA 31 2HB ALA 31 -0.281 -6.483 -1.562
223 HB3 ALA 31 3HB ALA 31 0.046 -5.074 -2.572
224 H CYS 32 H CYS 32 -0.644 -5.823 -5.768
225 HA CYS 32 HA CYS 32 2.136 -5.530 -6.716
226 HB2 CYS 32 2HB CYS 32 1.318 -5.415 -8.966
227 HB3 CYS 32 1HB CYS 32 0.489 -6.771 -8.216
228 H LYS 33 H LYS 33 -0.575 -3.889 -5.528
229 HA LYS 33 HA LYS 33 0.378 -1.324 -6.569
230 HB2 LYS 33 2HB LYS 33 -1.683 -2.042 -7.648
231 HB3 LYS 33 1HB LYS 33 -2.439 -2.293 -6.094
232 HG2 LYS 33 2HG LYS 33 -2.307 0.124 -5.660
233 HG3 LYS 33 1HG LYS 33 -1.549 0.341 -7.240
234 HD2 LYS 33 2HD LYS 33 -3.527 -0.609 -8.320
235 HD3 LYS 33 1HD LYS 33 -4.295 -0.779 -6.742
236 HE2 LYS 33 2HE LYS 33 -5.073 1.236 -7.898
237 HE3 LYS 33 1HE LYS 33 -4.204 1.627 -6.420
238 HZ1 LYS 33 1HZ LYS 33 -3.632 3.019 -8.394
239 HZ2 LYS 33 2HZ LYS 33 -2.873 1.680 -9.085
240 HZ3 LYS 33 3HZ LYS 33 -2.340 2.317 -7.614
241 H GLY 34 H GLY 34 0.647 0.238 -5.102
242 HA2 GLY 34 2HA GLY 34 -0.421 -0.120 -2.409
243 HA3 GLY 34 1HA GLY 34 1.306 0.181 -2.627
244 H GLU 35 H GLU 35 -1.422 1.691 -1.853
245 HA GLU 35 HA GLU 35 -0.573 4.174 -3.174
246 HB2 GLU 35 2HB GLU 35 -3.420 3.422 -2.529
247 HB3 GLU 35 1HB GLU 35 -2.880 4.929 -3.230
248 HG2 GLU 35 2HG GLU 35 -2.690 2.222 -4.522
249 HG3 GLU 35 1HG GLU 35 -3.846 3.493 -4.919
250 H CYS 36 H CYS 36 -0.276 5.846 -1.888
251 HA CYS 36 HA CYS 36 -0.380 5.605 0.951
252 HB2 CYS 36 2HB CYS 36 -0.059 8.060 -0.761
253 HB3 CYS 36 1HB CYS 36 0.255 7.956 0.960
254 H GLU 37 H GLU 37 -1.964 6.211 2.288
255 HA GLU 37 HA GLU 37 -4.101 7.822 1.181
256 HB2 GLU 37 2HB GLU 37 -4.345 5.296 2.760
257 HB3 GLU 37 1HB GLU 37 -5.620 6.507 2.800
258 HG2 GLU 37 2HG GLU 37 -4.557 5.257 0.278
259 HG3 GLU 37 1HG GLU 37 -5.991 4.698 1.141
260 H TYR 38 H TYR 38 -4.002 9.633 2.056
261 HA TYR 38 HA TYR 38 -3.039 10.069 4.718
262 HB2 TYR 38 2HB TYR 38 -4.220 11.875 2.602
263 HB3 TYR 38 1HB TYR 38 -3.839 12.454 4.216
264 HD1 TYR 38 1HD TYR 38 -1.574 12.823 4.894
265 HD2 TYR 38 2HD TYR 38 -2.409 11.205 1.052
266 HE1 TYR 38 1HE TYR 38 0.742 13.232 4.235
267 HE2 TYR 38 2HE TYR 38 -0.090 11.608 0.372
268 HH TYR 38 HH TYR 38 1.787 13.036 1.011
269 H HIS 39 H HIS 39 -4.278 9.461 6.331
270 HA HIS 39 HA HIS 39 -7.145 9.970 6.086
271 HB2 HIS 39 2HB HIS 39 -6.520 7.545 6.086
272 HB3 HIS 39 1HB HIS 39 -5.776 7.783 7.659
273 HD1 HIS 39 1HD HIS 39 -7.272 7.425 9.643
274 HD2 HIS 39 2HD HIS 39 -9.369 7.998 6.108
275 HE1 HIS 39 1HE HIS 39 -9.688 7.004 10.199
276 H GLY 40 H GLY 40 -7.218 11.897 7.042
277 HA2 GLY 40 2HA GLY 40 -7.525 13.272 8.856
278 HA3 GLY 40 1HA GLY 40 -6.960 11.970 9.901
279 H ARG 41 H ARG 41 -4.825 11.745 10.282
280 HA ARG 41 HA ARG 41 -3.077 13.920 9.363
281 HB2 ARG 41 2HB ARG 41 -3.741 14.343 11.684
282 HB3 ARG 41 1HB ARG 41 -3.238 12.729 12.146
283 HG2 ARG 41 2HG ARG 41 -1.653 14.455 12.872
284 HG3 ARG 41 1HG ARG 41 -0.918 13.310 11.753
285 HD2 ARG 41 2HD ARG 41 -0.252 15.622 11.268
286 HD3 ARG 41 1HD ARG 41 -1.147 14.908 9.934
287 HE ARG 41 HE ARG 41 -2.855 16.365 11.683
288 HH11 ARG 41 1HH1 ARG 41 -0.479 16.840 9.102
289 HH12 ARG 41 2HH1 ARG 41 -1.153 18.313 8.584
290 HH21 ARG 41 1HH2 ARG 41 -3.728 18.356 10.984
291 HH22 ARG 41 2HH2 ARG 41 -3.010 19.225 9.704
292 H GLU 42 H GLU 42 -3.599 10.571 9.703
293 HA GLU 42 HA GLU 42 -0.742 10.017 9.534
294 HB2 GLU 42 2HB GLU 42 -3.037 8.226 10.277
295 HB3 GLU 42 1HB GLU 42 -1.372 7.687 10.102
296 HG2 GLU 42 2HG GLU 42 -2.443 9.665 12.089
297 HG3 GLU 42 1HG GLU 42 -1.869 8.028 12.415
298 H VAL 43 H VAL 43 0.087 9.512 7.646
299 HA VAL 43 HA VAL 43 -1.716 8.454 5.627
300 HB VAL 43 HB VAL 43 -0.404 10.408 4.862
301 HG11 VAL 43 1HG1 VAL 43 1.588 10.152 6.243
302 HG12 VAL 43 2HG1 VAL 43 2.002 10.256 4.519
303 HG13 VAL 43 3HG1 VAL 43 1.998 8.690 5.333
304 HG21 VAL 43 1HG2 VAL 43 -1.042 8.752 3.210
305 HG22 VAL 43 2HG2 VAL 43 0.433 7.839 3.527
306 HG23 VAL 43 3HG2 VAL 43 0.529 9.448 2.808
307 H HIS 44 H HIS 44 -1.724 6.435 5.204
308 HA HIS 44 HA HIS 44 0.656 4.851 5.782
309 HB2 HIS 44 2HB HIS 44 -2.209 4.135 6.423
310 HB3 HIS 44 1HB HIS 44 -0.954 2.919 6.271
311 HD1 HIS 44 1HD HIS 44 -0.180 2.195 8.576
312 HD2 HIS 44 2HD HIS 44 -1.216 6.218 8.429
313 HE1 HIS 44 1HE HIS 44 0.241 3.097 10.873
314 H CYS 45 H CYS 45 0.667 2.810 4.530
315 HA CYS 45 HA CYS 45 -0.113 3.489 1.813
316 HB2 CYS 45 2HB CYS 45 2.253 2.981 2.347
317 HB3 CYS 45 1HB CYS 45 1.764 1.385 2.892
318 H HIS 46 H HIS 46 -1.850 2.509 0.985
319 HA HIS 46 HA HIS 46 -2.882 0.161 2.318
320 HB2 HIS 46 2HB HIS 46 -4.096 2.085 0.325
321 HB3 HIS 46 1HB HIS 46 -4.884 0.582 0.782
322 HD1 HIS 46 1HD HIS 46 -6.841 2.238 1.702
323 HD2 HIS 46 2HD HIS 46 -3.225 2.305 3.734
324 HE1 HIS 46 1HE HIS 46 -7.313 3.391 3.886
325 H CYS 47 H CYS 47 -2.471 -1.683 1.594
326 HA CYS 47 HA CYS 47 -1.124 -2.026 -0.954
327 HB2 CYS 47 2HB CYS 47 -1.661 -3.988 1.270
328 HB3 CYS 47 1HB CYS 47 -0.552 -4.209 -0.082
329 H TYR 48 H TYR 48 -2.110 -2.811 -2.699
330 HA TYR 48 HA TYR 48 -4.722 -4.123 -2.357
331 HB2 TYR 48 2HB TYR 48 -3.759 -2.449 -4.681
332 HB3 TYR 48 1HB TYR 48 -5.320 -3.246 -4.571
333 HD1 TYR 48 1HD TYR 48 -3.308 -0.402 -3.583
334 HD2 TYR 48 2HD TYR 48 -7.022 -2.384 -3.003
335 HE1 TYR 48 1HE TYR 48 -4.211 1.610 -2.539
336 HE2 TYR 48 2HE TYR 48 -7.937 -0.369 -1.958
337 HH TYR 48 HH TYR 48 -6.411 2.648 -2.115
338 H GLY 49 H GLY 49 -5.057 -5.987 -3.432
339 HA2 GLY 49 2HA GLY 49 -3.504 -6.877 -5.624
340 HA3 GLY 49 1HA GLY 49 -2.966 -7.641 -4.136
341 H ASP 50 H ASP 50 -3.649 -9.658 -4.782
342 HA ASP 50 HA ASP 50 -6.495 -10.103 -4.412
343 HB2 ASP 50 2HB ASP 50 -6.267 -10.093 -6.817
344 HB3 ASP 50 1HB ASP 50 -4.863 -11.142 -6.733
345 H TYR 51 H TYR 51 -6.772 -11.619 -2.913
346 HA TYR 51 HA TYR 51 -4.460 -13.201 -2.172
347 HB2 TYR 51 2HB TYR 51 -5.648 -13.519 -0.009
348 HB3 TYR 51 1HB TYR 51 -5.318 -11.831 -0.364
349 HD1 TYR 51 1HD TYR 51 -7.935 -14.380 0.042
350 HD2 TYR 51 2HD TYR 51 -7.145 -10.291 -0.830
351 HE1 TYR 51 1HE TYR 51 -10.289 -13.845 0.435
352 HE2 TYR 51 2HE TYR 51 -9.491 -9.749 -0.444
353 HH TYR 51 HH TYR 51 -11.631 -11.875 1.070
354 H HIS 52 H HIS 52 -4.785 -15.352 -1.650
355 HA HIS 52 HA HIS 52 -7.022 -16.592 -3.100
356 HB2 HIS 52 2HB HIS 52 -4.293 -17.813 -2.600
357 HB3 HIS 52 1HB HIS 52 -5.579 -18.484 -3.592
358 HD1 HIS 52 1HD HIS 52 -5.901 -17.341 -5.988
359 HD2 HIS 52 2HD HIS 52 -2.669 -16.025 -3.760
360 HE1 HIS 52 1HE HIS 52 -4.413 -16.103 -7.591
Start of MODEL 8
1 H1 ALA 1 H ALA 1 -2.033 -12.444 -9.926
2 HA ALA 1 HA ALA 1 -3.698 -11.778 -11.404
3 HB1 ALA 1 1HB ALA 1 -5.364 -11.362 -8.923
4 HB2 ALA 1 2HB ALA 1 -5.418 -12.772 -9.980
5 HB3 ALA 1 3HB ALA 1 -5.952 -11.198 -10.573
6 H HIS 2 H HIS 2 -5.143 -9.578 -11.590
7 HA HIS 2 HA HIS 2 -3.255 -7.464 -11.211
8 HB2 HIS 2 2HB HIS 2 -6.115 -7.445 -12.202
9 HB3 HIS 2 1HB HIS 2 -5.082 -6.021 -12.169
10 HD1 HIS 2 1HD HIS 2 -5.707 -9.188 -14.069
11 HD2 HIS 2 2HD HIS 2 -3.112 -5.944 -14.125
12 HE1 HIS 2 1HE HIS 2 -4.477 -9.332 -16.252
13 H CYS 3 H CYS 3 -2.966 -6.517 -9.381
14 HA CYS 3 HA CYS 3 -4.417 -6.899 -7.080
15 HB2 CYS 3 2HB CYS 3 -2.497 -4.714 -7.820
16 HB3 CYS 3 1HB CYS 3 -3.009 -5.109 -6.182
17 H ASP 4 H ASP 4 -6.216 -6.141 -6.418
18 HA ASP 4 HA ASP 4 -7.018 -3.374 -6.833
19 HB2 ASP 4 2HB ASP 4 -7.999 -4.408 -8.801
20 HB3 ASP 4 1HB ASP 4 -8.793 -5.630 -7.804
21 H HIS 5 H HIS 5 -7.593 -6.510 -5.372
22 HA HIS 5 HA HIS 5 -9.529 -5.504 -3.557
23 HB2 HIS 5 2HB HIS 5 -7.994 -8.110 -3.660
24 HB3 HIS 5 1HB HIS 5 -9.170 -7.733 -2.409
25 HD1 HIS 5 1HD HIS 5 -10.701 -9.701 -3.189
26 HD2 HIS 5 2HD HIS 5 -10.046 -6.767 -6.031
27 HE1 HIS 5 1HE HIS 5 -12.350 -10.174 -5.045
28 H PHE 6 H PHE 6 -9.200 -4.469 -1.850
29 HA PHE 6 HA PHE 6 -6.677 -3.647 -0.914
30 HB2 PHE 6 2HB PHE 6 -8.609 -2.252 -0.567
31 HB3 PHE 6 1HB PHE 6 -9.444 -3.531 0.295
32 HD1 PHE 6 1HD PHE 6 -9.226 -3.776 2.589
33 HD2 PHE 6 2HD PHE 6 -6.603 -1.130 0.521
34 HE1 PHE 6 1HE PHE 6 -8.447 -2.876 4.734
35 HE2 PHE 6 2HE PHE 6 -5.828 -0.238 2.664
36 HZ PHE 6 HZ PHE 6 -6.751 -1.107 4.772
37 H LEU 7 H LEU 7 -5.287 -4.746 0.219
38 HA LEU 7 HA LEU 7 -6.145 -7.176 1.583
39 HB2 LEU 7 2HB LEU 7 -3.430 -6.143 0.819
40 HB3 LEU 7 1HB LEU 7 -3.680 -7.643 1.673
41 HG LEU 7 HG LEU 7 -4.593 -6.990 -1.135
42 HD11 LEU 7 1HD1 LEU 7 -2.255 -7.348 -1.067
43 HD12 LEU 7 2HD1 LEU 7 -3.007 -8.792 -1.747
44 HD13 LEU 7 3HD1 LEU 7 -2.441 -8.794 -0.077
45 HD21 LEU 7 1HD2 LEU 7 -4.917 -9.538 0.450
46 HD22 LEU 7 2HD2 LEU 7 -5.268 -9.346 -1.268
47 HD23 LEU 7 3HD2 LEU 7 -6.215 -8.460 -0.076
48 H GLY 8 H GLY 8 -4.041 -4.357 2.191
49 HA2 GLY 8 2HA GLY 8 -4.981 -4.201 4.864
50 HA3 GLY 8 1HA GLY 8 -3.369 -4.896 4.759
51 H GLU 9 H GLU 9 -3.019 -2.948 6.082
52 HA GLU 9 HA GLU 9 -2.652 -0.537 4.434
53 HB2 GLU 9 2HB GLU 9 -3.192 -0.740 7.399
54 HB3 GLU 9 1HB GLU 9 -3.017 0.744 6.469
55 HG2 GLU 9 2HG GLU 9 -5.026 0.300 5.260
56 HG3 GLU 9 1HG GLU 9 -5.135 -1.308 5.976
57 H ALA 10 H ALA 10 -0.633 0.154 4.335
58 HA ALA 10 HA ALA 10 1.301 -0.964 6.238
59 HB1 ALA 10 1HB ALA 10 1.701 -1.686 3.932
60 HB2 ALA 10 2HB ALA 10 3.009 -0.654 4.516
61 HB3 ALA 10 3HB ALA 10 1.794 -0.000 3.417
62 HA PRO 11 HA PRO 11 2.011 3.300 7.345
63 HB2 PRO 11 2HB PRO 11 4.082 2.923 9.044
64 HB3 PRO 11 1HB PRO 11 2.429 2.483 9.484
65 HG2 PRO 11 2HG PRO 11 4.675 0.735 8.610
66 HG3 PRO 11 1HG PRO 11 3.401 0.418 9.798
67 HD2 PRO 11 2HD PRO 11 3.422 -0.519 7.183
68 HD3 PRO 11 1HD PRO 11 1.985 -0.380 8.212
69 H VAL 12 H VAL 12 2.752 4.086 5.344
70 HA VAL 12 HA VAL 12 5.636 3.772 4.867
71 HB VAL 12 HB VAL 12 3.499 4.294 2.779
72 HG11 VAL 12 1HG1 VAL 12 5.631 5.312 2.188
73 HG12 VAL 12 2HG1 VAL 12 5.293 3.931 1.144
74 HG13 VAL 12 3HG1 VAL 12 6.454 3.777 2.462
75 HG21 VAL 12 1HG2 VAL 12 3.375 2.011 3.632
76 HG22 VAL 12 2HG2 VAL 12 5.099 1.800 3.329
77 HG23 VAL 12 3HG2 VAL 12 3.988 2.028 1.977
78 H TYR 13 H TYR 13 6.516 5.552 5.744
79 HA TYR 13 HA TYR 13 5.788 8.062 4.523
80 HB2 TYR 13 2HB TYR 13 4.517 7.844 6.724
81 HB3 TYR 13 1HB TYR 13 6.081 7.817 7.530
82 HD1 TYR 13 1HD TYR 13 7.214 9.847 8.012
83 HD2 TYR 13 2HD TYR 13 3.881 9.876 5.377
84 HE1 TYR 13 1HE TYR 13 7.211 12.303 8.037
85 HE2 TYR 13 2HE TYR 13 3.868 12.312 5.398
86 HH TYR 13 HH TYR 13 4.594 14.103 6.791
87 HA PRO 14 HA PRO 14 6.754 10.153 4.342
88 HB2 PRO 14 2HB PRO 14 8.366 10.838 2.236
89 HB3 PRO 14 1HB PRO 14 8.547 11.485 3.874
90 HG2 PRO 14 2HG PRO 14 10.046 9.260 2.546
91 HG3 PRO 14 1HG PRO 14 10.664 10.578 3.559
92 HD2 PRO 14 2HD PRO 14 10.287 8.097 4.532
93 HD3 PRO 14 1HD PRO 14 10.015 9.545 5.521
94 H CYS 15 H CYS 15 5.463 10.280 2.480
95 HA CYS 15 HA CYS 15 5.004 7.682 1.393
96 HB2 CYS 15 2HB CYS 15 3.061 8.698 2.127
97 HB3 CYS 15 1HB CYS 15 3.421 10.218 1.320
98 H LYS 16 H LYS 16 5.997 7.030 -0.243
99 HA LYS 16 HA LYS 16 5.965 8.674 -2.649
100 HB2 LYS 16 2HB LYS 16 8.142 6.803 -1.712
101 HB3 LYS 16 1HB LYS 16 7.921 7.154 -3.411
102 HG2 LYS 16 2HG LYS 16 9.678 8.503 -2.592
103 HG3 LYS 16 1HG LYS 16 8.302 9.561 -2.886
104 HD2 LYS 16 2HD LYS 16 7.782 9.515 -0.532
105 HD3 LYS 16 1HD LYS 16 9.168 8.464 -0.220
106 HE2 LYS 16 2HE LYS 16 9.263 11.274 -1.343
107 HE3 LYS 16 1HE LYS 16 9.719 10.808 0.292
108 HZ1 LYS 16 1HZ LYS 16 11.086 9.947 -2.211
109 HZ2 LYS 16 2HZ LYS 16 11.509 9.458 -0.663
110 HZ3 LYS 16 3HZ LYS 16 11.661 11.072 -1.098
111 H GLU 17 H GLU 17 5.403 7.596 -4.452
112 HA GLU 17 HA GLU 17 3.616 5.396 -4.090
113 HB2 GLU 17 2HB GLU 17 4.764 6.434 -6.692
114 HB3 GLU 17 1HB GLU 17 3.390 5.366 -6.529
115 HG2 GLU 17 2HG GLU 17 2.582 7.537 -7.059
116 HG3 GLU 17 1HG GLU 17 2.176 7.220 -5.372
117 H LYS 18 H LYS 18 6.803 5.859 -5.402
118 HA LYS 18 HA LYS 18 7.453 3.266 -6.210
119 HB2 LYS 18 2HB LYS 18 9.152 5.472 -5.069
120 HB3 LYS 18 1HB LYS 18 9.834 3.957 -5.626
121 HG2 LYS 18 2HG LYS 18 9.007 4.382 -7.857
122 HG3 LYS 18 1HG LYS 18 8.259 5.886 -7.317
123 HD2 LYS 18 2HD LYS 18 10.391 6.844 -6.809
124 HD3 LYS 18 1HD LYS 18 11.207 5.304 -7.066
125 HE2 LYS 18 2HE LYS 18 9.750 6.887 -9.178
126 HE3 LYS 18 1HE LYS 18 11.498 6.849 -8.952
127 HZ1 LYS 18 1HZ LYS 18 9.797 4.509 -9.626
128 HZ2 LYS 18 2HZ LYS 18 11.461 4.468 -9.420
129 HZ3 LYS 18 3HZ LYS 18 10.793 5.320 -10.700
130 H ALA 19 H ALA 19 7.514 4.774 -3.072
131 HA ALA 19 HA ALA 19 8.764 2.618 -1.725
132 HB1 ALA 19 1HB ALA 19 8.032 3.749 0.330
133 HB2 ALA 19 2HB ALA 19 7.056 4.858 -0.631
134 HB3 ALA 19 3HB ALA 19 8.813 4.871 -0.779
135 H CYS 20 H CYS 20 5.372 3.762 -1.769
136 HA CYS 20 HA CYS 20 4.285 1.660 -0.345
137 HB2 CYS 20 2HB CYS 20 3.191 3.632 -2.247
138 HB3 CYS 20 1HB CYS 20 2.197 2.223 -1.897
139 H LYS 21 H LYS 21 4.719 1.828 -3.865
140 HA LYS 21 HA LYS 21 3.370 -0.592 -4.354
141 HB2 LYS 21 2HB LYS 21 3.828 1.253 -6.012
142 HB3 LYS 21 1HB LYS 21 5.487 0.700 -6.077
143 HG2 LYS 21 2HG LYS 21 4.809 -1.404 -7.036
144 HG3 LYS 21 1HG LYS 21 3.110 -0.996 -6.811
145 HD2 LYS 21 2HD LYS 21 3.335 0.882 -8.353
146 HD3 LYS 21 1HD LYS 21 5.046 0.519 -8.556
147 HE2 LYS 21 2HE LYS 21 3.731 -0.318 -10.433
148 HE3 LYS 21 1HE LYS 21 4.493 -1.627 -9.540
149 HZ1 LYS 21 1HZ LYS 21 2.213 -2.118 -10.167
150 HZ2 LYS 21 2HZ LYS 21 1.635 -0.815 -9.276
151 HZ3 LYS 21 3HZ LYS 21 2.367 -2.126 -8.495
152 H SER 22 H SER 22 6.554 0.073 -3.229
153 HA SER 22 HA SER 22 7.527 -2.606 -3.768
154 HB2 SER 22 2HB SER 22 9.125 -0.706 -3.918
155 HB3 SER 22 1HB SER 22 8.783 -0.294 -2.247
156 HG SER 22 HG SER 22 9.714 -2.208 -1.571
157 H VAL 23 H VAL 23 6.877 -0.544 -0.938
158 HA VAL 23 HA VAL 23 7.429 -2.404 1.042
159 HB VAL 23 HB VAL 23 5.605 0.028 1.164
160 HG11 VAL 23 1HG1 VAL 23 6.791 -1.595 3.409
161 HG12 VAL 23 2HG1 VAL 23 5.075 -1.437 3.019
162 HG13 VAL 23 3HG1 VAL 23 5.983 -0.044 3.601
163 HG21 VAL 23 1HG2 VAL 23 8.479 -0.346 1.989
164 HG22 VAL 23 2HG2 VAL 23 7.525 1.122 2.200
165 HG23 VAL 23 3HG2 VAL 23 7.909 0.547 0.578
166 H CYS 24 H CYS 24 4.367 -1.759 -0.612
167 HA CYS 24 HA CYS 24 2.878 -3.467 1.007
168 HB2 CYS 24 2HB CYS 24 2.416 -2.526 -1.807
169 HB3 CYS 24 1HB CYS 24 1.281 -3.581 -0.968
170 H LYS 25 H LYS 25 5.088 -4.250 -1.591
171 HA LYS 25 HA LYS 25 4.088 -6.953 -1.894
172 HB2 LYS 25 2HB LYS 25 6.748 -5.787 -2.747
173 HB3 LYS 25 1HB LYS 25 6.140 -7.367 -3.189
174 HG2 LYS 25 2HG LYS 25 4.252 -6.173 -4.351
175 HG3 LYS 25 1HG LYS 25 5.166 -4.679 -4.096
176 HD2 LYS 25 2HD LYS 25 7.093 -5.665 -5.255
177 HD3 LYS 25 1HD LYS 25 6.172 -7.143 -5.523
178 HE2 LYS 25 2HE LYS 25 6.062 -5.923 -7.538
179 HE3 LYS 25 1HE LYS 25 4.497 -5.722 -6.759
180 HZ1 LYS 25 1HZ LYS 25 6.719 -3.771 -6.864
181 HZ2 LYS 25 2HZ LYS 25 5.363 -3.519 -5.919
182 HZ3 LYS 25 3HZ LYS 25 5.229 -3.646 -7.612
183 H GLU 26 H GLU 26 6.189 -5.231 0.119
184 HA GLU 26 HA GLU 26 7.746 -7.467 1.020
185 HB2 GLU 26 2HB GLU 26 7.513 -4.613 2.005
186 HB3 GLU 26 1HB GLU 26 8.688 -5.782 2.602
187 HG2 GLU 26 2HG GLU 26 9.773 -5.912 0.493
188 HG3 GLU 26 1HG GLU 26 8.475 -5.021 -0.291
189 H HIS 27 H HIS 27 5.068 -5.517 2.196
190 HA HIS 27 HA HIS 27 4.758 -7.028 4.610
191 HB2 HIS 27 2HB HIS 27 3.013 -5.010 3.221
192 HB3 HIS 27 1HB HIS 27 2.427 -5.898 4.615
193 HD1 HIS 27 1HD HIS 27 3.001 -4.906 6.854
194 HD2 HIS 27 2HD HIS 27 5.301 -3.395 3.770
195 HE1 HIS 27 1HE HIS 27 4.326 -3.014 7.860
196 H TYR 28 H TYR 28 3.105 -6.991 1.460
197 HA TYR 28 HA TYR 28 1.889 -9.551 2.185
198 HB2 TYR 28 2HB TYR 28 0.679 -7.398 0.440
199 HB3 TYR 28 1HB TYR 28 -0.084 -8.909 0.915
200 HD1 TYR 28 1HD TYR 28 -0.910 -9.188 3.232
201 HD2 TYR 28 2HD TYR 28 0.739 -5.507 1.889
202 HE1 TYR 28 1HE TYR 28 -1.868 -8.054 5.172
203 HE2 TYR 28 2HE TYR 28 -0.204 -4.360 3.831
204 HH TYR 28 HH TYR 28 -1.436 -6.031 6.489
205 H HIS 29 H HIS 29 2.718 -11.062 0.898
206 HA HIS 29 HA HIS 29 4.151 -10.386 -1.471
207 HB2 HIS 29 2HB HIS 29 3.339 -13.091 -0.376
208 HB3 HIS 29 1HB HIS 29 4.329 -12.883 -1.817
209 HD1 HIS 29 1HD HIS 29 5.443 -14.359 0.716
210 HD2 HIS 29 2HD HIS 29 6.001 -10.324 -0.131
211 HE1 HIS 29 1HE HIS 29 7.545 -13.679 1.918
212 H HIS 30 H HIS 30 0.908 -10.894 -0.848
213 HA HIS 30 HA HIS 30 0.263 -11.530 -3.615
214 HB2 HIS 30 2HB HIS 30 -1.419 -11.243 -1.144
215 HB3 HIS 30 1HB HIS 30 -2.153 -11.268 -2.737
216 HD1 HIS 30 1HD HIS 30 -3.204 -13.501 -2.928
217 HD2 HIS 30 2HD HIS 30 0.600 -13.703 -1.275
218 HE1 HIS 30 1HE HIS 30 -2.707 -15.972 -2.610
219 H ALA 31 H ALA 31 1.119 -8.759 -2.089
220 HA ALA 31 HA ALA 31 -0.843 -7.099 -3.499
221 HB1 ALA 31 1HB ALA 31 -0.479 -6.582 -1.104
222 HB2 ALA 31 2HB ALA 31 -0.033 -5.248 -2.162
223 HB3 ALA 31 3HB ALA 31 1.219 -6.269 -1.461
224 H CYS 32 H CYS 32 -0.253 -5.760 -5.078
225 HA CYS 32 HA CYS 32 2.616 -5.493 -5.685
226 HB2 CYS 32 2HB CYS 32 2.297 -5.922 -8.041
227 HB3 CYS 32 1HB CYS 32 1.616 -7.267 -7.140
228 H LYS 33 H LYS 33 -0.238 -3.942 -5.061
229 HA LYS 33 HA LYS 33 0.593 -1.496 -6.451
230 HB2 LYS 33 2HB LYS 33 -1.285 -2.643 -7.640
231 HB3 LYS 33 1HB LYS 33 -2.226 -2.578 -6.170
232 HG2 LYS 33 2HG LYS 33 -2.334 -0.163 -6.305
233 HG3 LYS 33 1HG LYS 33 -1.244 -0.166 -7.696
234 HD2 LYS 33 2HD LYS 33 -2.917 -1.587 -8.906
235 HD3 LYS 33 1HD LYS 33 -4.017 -1.353 -7.555
236 HE2 LYS 33 2HE LYS 33 -2.861 0.876 -9.236
237 HE3 LYS 33 1HE LYS 33 -4.432 0.141 -9.511
238 HZ1 LYS 33 1HZ LYS 33 -3.641 1.752 -7.097
239 HZ2 LYS 33 2HZ LYS 33 -5.061 0.886 -7.262
240 HZ3 LYS 33 3HZ LYS 33 -4.727 2.129 -8.318
241 H GLY 34 H GLY 34 0.679 0.202 -5.065
242 HA2 GLY 34 2HA GLY 34 -0.841 0.062 -2.598
243 HA3 GLY 34 1HA GLY 34 0.914 0.070 -2.450
244 H GLU 35 H GLU 35 -1.354 2.012 -1.859
245 HA GLU 35 HA GLU 35 0.122 4.331 -2.734
246 HB2 GLU 35 2HB GLU 35 -1.957 5.431 -3.664
247 HB3 GLU 35 1HB GLU 35 -1.244 4.158 -4.644
248 HG2 GLU 35 2HG GLU 35 -2.910 2.594 -3.644
249 HG3 GLU 35 1HG GLU 35 -3.713 4.003 -2.944
250 H CYS 36 H CYS 36 -0.265 6.191 -1.563
251 HA CYS 36 HA CYS 36 -0.999 5.637 1.144
252 HB2 CYS 36 2HB CYS 36 -0.193 8.241 -0.078
253 HB3 CYS 36 1HB CYS 36 -0.162 7.803 1.624
254 H GLU 37 H GLU 37 -2.497 6.601 2.368
255 HA GLU 37 HA GLU 37 -4.347 8.493 1.210
256 HB2 GLU 37 2HB GLU 37 -4.908 6.042 2.857
257 HB3 GLU 37 1HB GLU 37 -6.031 7.394 2.809
258 HG2 GLU 37 2HG GLU 37 -5.074 5.943 0.360
259 HG3 GLU 37 1HG GLU 37 -6.546 5.523 1.236
260 H TYR 38 H TYR 38 -3.795 10.301 2.173
261 HA TYR 38 HA TYR 38 -2.799 10.317 4.881
262 HB2 TYR 38 2HB TYR 38 -3.095 12.449 2.794
263 HB3 TYR 38 1HB TYR 38 -2.833 12.888 4.475
264 HD1 TYR 38 1HD TYR 38 -0.738 12.198 5.590
265 HD2 TYR 38 2HD TYR 38 -1.309 11.688 1.405
266 HE1 TYR 38 1HE TYR 38 1.673 11.989 5.304
267 HE2 TYR 38 2HE TYR 38 1.115 11.467 1.103
268 HH TYR 38 HH TYR 38 3.184 12.232 2.355
269 H HIS 39 H HIS 39 -4.237 9.973 6.326
270 HA HIS 39 HA HIS 39 -6.284 11.913 6.681
271 HB2 HIS 39 2HB HIS 39 -8.036 10.099 7.156
272 HB3 HIS 39 1HB HIS 39 -7.682 10.425 5.470
273 HD1 HIS 39 1HD HIS 39 -7.634 8.275 4.151
274 HD2 HIS 39 2HD HIS 39 -6.348 7.750 8.057
275 HE1 HIS 39 1HE HIS 39 -7.166 5.827 4.392
276 H GLY 40 H GLY 40 -5.923 12.623 8.584
277 HA2 GLY 40 2HA GLY 40 -6.011 12.423 10.945
278 HA3 GLY 40 1HA GLY 40 -5.565 10.724 10.792
279 H ARG 41 H ARG 41 -3.841 11.079 12.342
280 HA ARG 41 HA ARG 41 -1.747 12.927 11.623
281 HB2 ARG 41 2HB ARG 41 -2.219 12.297 14.013
282 HB3 ARG 41 1HB ARG 41 -1.647 10.673 13.649
283 HG2 ARG 41 2HG ARG 41 0.514 11.821 12.868
284 HG3 ARG 41 1HG ARG 41 -0.085 13.228 13.740
285 HD2 ARG 41 2HD ARG 41 0.403 10.491 14.900
286 HD3 ARG 41 1HD ARG 41 1.456 11.884 15.082
287 HE ARG 41 HE ARG 41 -1.039 12.608 16.038
288 HH11 ARG 41 1HH1 ARG 41 1.552 10.307 16.819
289 HH12 ARG 41 2HH1 ARG 41 1.215 10.279 18.489
290 HH21 ARG 41 1HH2 ARG 41 -1.507 12.529 18.396
291 HH22 ARG 41 2HH2 ARG 41 -0.534 11.530 19.383
292 H GLU 42 H GLU 42 -2.440 9.518 11.342
293 HA GLU 42 HA GLU 42 0.237 8.928 10.384
294 HB2 GLU 42 2HB GLU 42 -2.103 7.070 10.792
295 HB3 GLU 42 1HB GLU 42 -0.437 6.610 10.508
296 HG2 GLU 42 2HG GLU 42 -1.577 7.933 12.956
297 HG3 GLU 42 1HG GLU 42 -0.953 6.294 12.818
298 H VAL 43 H VAL 43 0.549 7.907 8.372
299 HA VAL 43 HA VAL 43 -1.586 8.441 6.459
300 HB VAL 43 HB VAL 43 0.543 9.535 5.862
301 HG11 VAL 43 1HG1 VAL 43 2.512 8.237 5.223
302 HG12 VAL 43 2HG1 VAL 43 1.720 6.774 5.806
303 HG13 VAL 43 3HG1 VAL 43 2.127 8.067 6.940
304 HG21 VAL 43 1HG2 VAL 43 0.815 8.673 3.579
305 HG22 VAL 43 2HG2 VAL 43 -0.881 8.819 4.035
306 HG23 VAL 43 3HG2 VAL 43 -0.105 7.235 4.025
307 H HIS 44 H HIS 44 -2.571 6.812 5.438
308 HA HIS 44 HA HIS 44 -1.645 4.130 6.166
309 HB2 HIS 44 2HB HIS 44 -4.386 5.138 5.455
310 HB3 HIS 44 1HB HIS 44 -4.003 3.437 5.624
311 HD1 HIS 44 1HD HIS 44 -4.998 2.655 7.785
312 HD2 HIS 44 2HD HIS 44 -3.320 6.445 8.140
313 HE1 HIS 44 1HE HIS 44 -5.159 3.250 10.206
314 H CYS 45 H CYS 45 -0.673 3.137 4.621
315 HA CYS 45 HA CYS 45 -1.283 3.884 1.879
316 HB2 CYS 45 2HB CYS 45 1.108 3.783 2.499
317 HB3 CYS 45 1HB CYS 45 0.912 2.097 2.969
318 H HIS 46 H HIS 46 -2.620 2.776 0.733
319 HA HIS 46 HA HIS 46 -3.721 0.359 1.824
320 HB2 HIS 46 2HB HIS 46 -4.498 2.110 -0.510
321 HB3 HIS 46 1HB HIS 46 -5.296 0.586 -0.152
322 HD1 HIS 46 1HD HIS 46 -7.488 2.120 0.149
323 HD2 HIS 46 2HD HIS 46 -4.481 2.586 2.964
324 HE1 HIS 46 1HE HIS 46 -8.547 3.360 2.085
325 H CYS 47 H CYS 47 -2.940 -1.439 1.360
326 HA CYS 47 HA CYS 47 -1.360 -1.821 -1.056
327 HB2 CYS 47 2HB CYS 47 -1.734 -3.627 1.342
328 HB3 CYS 47 1HB CYS 47 -0.631 -3.898 0.005
329 H TYR 48 H TYR 48 -2.318 -2.600 -2.755
330 HA TYR 48 HA TYR 48 -4.783 -4.147 -2.446
331 HB2 TYR 48 2HB TYR 48 -3.712 -2.669 -4.856
332 HB3 TYR 48 1HB TYR 48 -5.231 -3.549 -4.787
333 HD1 TYR 48 1HD TYR 48 -3.550 -0.433 -4.154
334 HD2 TYR 48 2HD TYR 48 -7.046 -2.687 -3.261
335 HE1 TYR 48 1HE TYR 48 -4.692 1.619 -3.417
336 HE2 TYR 48 2HE TYR 48 -8.184 -0.653 -2.527
337 HH TYR 48 HH TYR 48 -7.034 2.441 -3.164
338 H GLY 49 H GLY 49 -4.968 -6.086 -3.411
339 HA2 GLY 49 2HA GLY 49 -3.000 -7.110 -5.222
340 HA3 GLY 49 1HA GLY 49 -2.950 -7.849 -3.624
341 H ASP 50 H ASP 50 -3.647 -9.843 -4.356
342 HA ASP 50 HA ASP 50 -6.513 -9.953 -4.619
343 HB2 ASP 50 2HB ASP 50 -6.445 -11.639 -6.335
344 HB3 ASP 50 1HB ASP 50 -5.576 -10.235 -6.933
345 H TYR 51 H TYR 51 -7.350 -11.521 -3.363
346 HA TYR 51 HA TYR 51 -5.510 -13.434 -2.158
347 HB2 TYR 51 2HB TYR 51 -5.749 -11.478 -0.660
348 HB3 TYR 51 1HB TYR 51 -7.490 -11.679 -0.687
349 HD1 TYR 51 1HD TYR 51 -4.327 -13.119 0.481
350 HD2 TYR 51 2HD TYR 51 -8.549 -13.286 0.723
351 HE1 TYR 51 1HE TYR 51 -4.150 -14.533 2.472
352 HE2 TYR 51 2HE TYR 51 -8.402 -14.698 2.702
353 HH TYR 51 HH TYR 51 -6.804 -16.219 3.743
354 H HIS 52 H HIS 52 -6.355 -15.339 -2.651
355 HA HIS 52 HA HIS 52 -9.279 -15.580 -2.663
356 HB2 HIS 52 2HB HIS 52 -7.301 -17.066 -4.412
357 HB3 HIS 52 1HB HIS 52 -9.050 -17.265 -4.428
358 HD1 HIS 52 1HD HIS 52 -6.332 -15.218 -5.825
359 HD2 HIS 52 2HD HIS 52 -10.451 -14.989 -5.475
360 HE1 HIS 52 1HE HIS 52 -7.062 -13.499 -7.520
Start of MODEL 9
1 H1 ALA 1 H ALA 1 -4.436 -10.824 -8.851
2 HA ALA 1 HA ALA 1 -3.059 -10.031 -11.362
3 HB1 ALA 1 1HB ALA 1 -4.369 -12.111 -11.618
4 HB2 ALA 1 2HB ALA 1 -4.993 -10.790 -12.604
5 HB3 ALA 1 3HB ALA 1 -5.817 -11.237 -11.114
6 H HIS 2 H HIS 2 -6.275 -9.608 -9.818
7 HA HIS 2 HA HIS 2 -6.284 -6.932 -10.868
8 HB2 HIS 2 2HB HIS 2 -8.651 -6.856 -9.913
9 HB3 HIS 2 1HB HIS 2 -8.380 -7.993 -11.222
10 HD1 HIS 2 1HD HIS 2 -8.937 -7.936 -7.432
11 HD2 HIS 2 2HD HIS 2 -8.948 -10.586 -10.651
12 HE1 HIS 2 1HE HIS 2 -9.796 -10.116 -6.549
13 H CYS 3 H CYS 3 -6.005 -5.172 -9.787
14 HA CYS 3 HA CYS 3 -5.265 -5.417 -6.975
15 HB2 CYS 3 2HB CYS 3 -4.837 -3.127 -8.878
16 HB3 CYS 3 1HB CYS 3 -4.099 -3.347 -7.293
17 H ASP 4 H ASP 4 -7.490 -5.483 -6.311
18 HA ASP 4 HA ASP 4 -8.781 -2.860 -6.503
19 HB2 ASP 4 2HB ASP 4 -10.981 -3.958 -6.410
20 HB3 ASP 4 1HB ASP 4 -10.054 -4.526 -7.787
21 H HIS 5 H HIS 5 -8.522 -5.721 -4.433
22 HA HIS 5 HA HIS 5 -9.481 -4.053 -2.296
23 HB2 HIS 5 2HB HIS 5 -9.352 -7.005 -2.564
24 HB3 HIS 5 1HB HIS 5 -9.424 -6.290 -0.958
25 HD1 HIS 5 1HD HIS 5 -11.628 -7.493 -3.516
26 HD2 HIS 5 2HD HIS 5 -11.658 -4.308 -0.860
27 HE1 HIS 5 1HE HIS 5 -14.021 -6.748 -3.363
28 H PHE 6 H PHE 6 -8.713 -3.950 -0.318
29 HA PHE 6 HA PHE 6 -5.895 -3.382 -0.232
30 HB2 PHE 6 2HB PHE 6 -8.062 -3.072 1.876
31 HB3 PHE 6 1HB PHE 6 -6.445 -2.403 1.950
32 HD1 PHE 6 1HD PHE 6 -9.611 -2.245 -0.043
33 HD2 PHE 6 2HD PHE 6 -6.058 -0.248 1.189
34 HE1 PHE 6 1HE PHE 6 -10.436 -0.167 -1.048
35 HE2 PHE 6 2HE PHE 6 -6.880 1.832 0.174
36 HZ PHE 6 HZ PHE 6 -9.073 1.875 -0.946
37 H LEU 7 H LEU 7 -4.595 -4.981 0.306
38 HA LEU 7 HA LEU 7 -5.462 -7.324 1.769
39 HB2 LEU 7 2HB LEU 7 -2.701 -6.405 0.993
40 HB3 LEU 7 1HB LEU 7 -3.102 -7.984 1.633
41 HG LEU 7 HG LEU 7 -4.056 -6.890 -1.008
42 HD11 LEU 7 1HD1 LEU 7 -2.526 -8.545 -1.944
43 HD12 LEU 7 2HD1 LEU 7 -1.957 -8.919 -0.315
44 HD13 LEU 7 3HD1 LEU 7 -1.689 -7.316 -1.000
45 HD21 LEU 7 1HD2 LEU 7 -4.803 -9.185 -1.401
46 HD22 LEU 7 2HD2 LEU 7 -5.635 -8.461 -0.029
47 HD23 LEU 7 3HD2 LEU 7 -4.335 -9.621 0.242
48 H GLY 8 H GLY 8 -3.841 -4.343 2.360
49 HA2 GLY 8 2HA GLY 8 -4.409 -4.101 4.976
50 HA3 GLY 8 1HA GLY 8 -2.857 -4.946 4.927
51 H GLU 9 H GLU 9 -2.619 -2.660 6.039
52 HA GLU 9 HA GLU 9 -1.850 -0.713 3.996
53 HB2 GLU 9 2HB GLU 9 -1.637 0.868 5.853
54 HB3 GLU 9 1HB GLU 9 -3.220 0.104 5.905
55 HG2 GLU 9 2HG GLU 9 -2.488 -1.375 7.657
56 HG3 GLU 9 1HG GLU 9 -0.857 -0.713 7.572
57 H ALA 10 H ALA 10 0.282 0.198 4.169
58 HA ALA 10 HA ALA 10 2.148 -1.510 5.612
59 HB1 ALA 10 1HB ALA 10 3.821 -1.087 3.899
60 HB2 ALA 10 2HB ALA 10 2.638 -0.187 2.936
61 HB3 ALA 10 3HB ALA 10 2.420 -1.919 3.239
62 HA PRO 11 HA PRO 11 2.893 2.276 7.667
63 HB2 PRO 11 2HB PRO 11 4.795 1.433 9.359
64 HB3 PRO 11 1HB PRO 11 3.104 0.933 9.507
65 HG2 PRO 11 2HG PRO 11 5.400 -0.554 8.276
66 HG3 PRO 11 1HG PRO 11 4.145 -1.164 9.379
67 HD2 PRO 11 2HD PRO 11 4.091 -1.503 6.687
68 HD3 PRO 11 1HD PRO 11 2.623 -1.389 7.677
69 H VAL 12 H VAL 12 3.778 3.554 5.987
70 HA VAL 12 HA VAL 12 6.609 3.956 6.330
71 HB VAL 12 HB VAL 12 6.725 4.655 3.895
72 HG11 VAL 12 1HG1 VAL 12 7.110 2.363 3.043
73 HG12 VAL 12 2HG1 VAL 12 6.288 1.724 4.469
74 HG13 VAL 12 3HG1 VAL 12 7.801 2.607 4.648
75 HG21 VAL 12 1HG2 VAL 12 4.212 3.005 3.676
76 HG22 VAL 12 2HG2 VAL 12 5.167 3.579 2.310
77 HG23 VAL 12 3HG2 VAL 12 4.358 4.736 3.369
78 H TYR 13 H TYR 13 6.852 5.906 7.135
79 HA TYR 13 HA TYR 13 5.493 8.124 5.933
80 HB2 TYR 13 2HB TYR 13 3.959 7.233 7.794
81 HB3 TYR 13 1HB TYR 13 5.222 7.708 8.921
82 HD1 TYR 13 1HD TYR 13 2.467 8.832 6.853
83 HD2 TYR 13 2HD TYR 13 5.772 10.136 9.189
84 HE1 TYR 13 1HE TYR 13 1.515 11.104 6.937
85 HE2 TYR 13 2HE TYR 13 4.832 12.396 9.269
86 HH TYR 13 HH TYR 13 3.270 13.790 7.937
87 HA PRO 14 HA PRO 14 5.815 10.295 5.804
88 HB2 PRO 14 2HB PRO 14 7.562 11.527 4.094
89 HB3 PRO 14 1HB PRO 14 7.125 12.154 5.694
90 HG2 PRO 14 2HG PRO 14 9.531 10.579 4.870
91 HG3 PRO 14 1HG PRO 14 9.430 12.006 5.921
92 HD2 PRO 14 2HD PRO 14 9.651 9.501 6.906
93 HD3 PRO 14 1HD PRO 14 8.733 10.770 7.741
94 H CYS 15 H CYS 15 4.816 9.587 4.110
95 HA CYS 15 HA CYS 15 5.673 7.142 2.846
96 HB2 CYS 15 2HB CYS 15 3.418 7.411 3.779
97 HB3 CYS 15 1HB CYS 15 3.140 8.766 2.704
98 H LYS 16 H LYS 16 6.182 6.818 0.798
99 HA LYS 16 HA LYS 16 5.895 8.943 -1.174
100 HB2 LYS 16 2HB LYS 16 8.307 7.229 -0.622
101 HB3 LYS 16 1HB LYS 16 8.037 7.990 -2.178
102 HG2 LYS 16 2HG LYS 16 8.326 9.410 0.447
103 HG3 LYS 16 1HG LYS 16 9.569 9.265 -0.809
104 HD2 LYS 16 2HD LYS 16 7.976 10.390 -2.380
105 HD3 LYS 16 1HD LYS 16 6.916 10.658 -0.994
106 HE2 LYS 16 2HE LYS 16 8.225 12.652 -1.418
107 HE3 LYS 16 1HE LYS 16 8.685 11.907 0.109
108 HZ1 LYS 16 1HZ LYS 16 10.656 10.996 -0.913
109 HZ2 LYS 16 2HZ LYS 16 10.610 12.639 -1.262
110 HZ3 LYS 16 3HZ LYS 16 10.153 11.521 -2.428
111 H GLU 17 H GLU 17 5.623 8.166 -3.280
112 HA GLU 17 HA GLU 17 3.916 5.938 -3.381
113 HB2 GLU 17 2HB GLU 17 3.912 6.245 -5.868
114 HB3 GLU 17 1HB GLU 17 3.449 7.638 -4.907
115 HG2 GLU 17 2HG GLU 17 5.549 8.695 -5.306
116 HG3 GLU 17 1HG GLU 17 6.190 7.242 -6.071
117 H LYS 18 H LYS 18 7.221 6.173 -4.746
118 HA LYS 18 HA LYS 18 7.159 3.500 -5.686
119 HB2 LYS 18 2HB LYS 18 9.436 5.400 -5.192
120 HB3 LYS 18 1HB LYS 18 9.763 3.706 -5.483
121 HG2 LYS 18 2HG LYS 18 10.036 4.885 -7.527
122 HG3 LYS 18 1HG LYS 18 8.589 3.901 -7.659
123 HD2 LYS 18 2HD LYS 18 7.227 5.888 -7.242
124 HD3 LYS 18 1HD LYS 18 8.697 6.867 -7.126
125 HE2 LYS 18 2HE LYS 18 9.286 6.176 -9.429
126 HE3 LYS 18 1HE LYS 18 7.761 5.301 -9.534
127 HZ1 LYS 18 1HZ LYS 18 7.489 7.397 -10.575
128 HZ2 LYS 18 2HZ LYS 18 8.181 8.210 -9.297
129 HZ3 LYS 18 3HZ LYS 18 6.655 7.505 -9.100
130 H ALA 19 H ALA 19 8.268 4.916 -2.693
131 HA ALA 19 HA ALA 19 9.325 2.624 -1.481
132 HB1 ALA 19 1HB ALA 19 8.963 3.772 0.646
133 HB2 ALA 19 2HB ALA 19 7.881 4.918 -0.129
134 HB3 ALA 19 3HB ALA 19 9.596 4.898 -0.553
135 H CYS 20 H CYS 20 6.072 3.921 -1.564
136 HA CYS 20 HA CYS 20 4.785 2.166 0.133
137 HB2 CYS 20 2HB CYS 20 3.829 4.265 -0.670
138 HB3 CYS 20 1HB CYS 20 3.752 3.625 -2.302
139 H LYS 21 H LYS 21 4.998 1.973 -3.461
140 HA LYS 21 HA LYS 21 3.661 -0.516 -3.468
141 HB2 LYS 21 2HB LYS 21 3.751 1.046 -5.458
142 HB3 LYS 21 1HB LYS 21 5.413 0.550 -5.681
143 HG2 LYS 21 2HG LYS 21 4.842 -1.671 -6.194
144 HG3 LYS 21 1HG LYS 21 3.186 -1.462 -5.635
145 HD2 LYS 21 2HD LYS 21 3.297 -1.537 -8.065
146 HD3 LYS 21 1HD LYS 21 2.752 0.041 -7.518
147 HE2 LYS 21 2HE LYS 21 4.954 0.963 -7.895
148 HE3 LYS 21 1HE LYS 21 5.575 -0.625 -8.340
149 HZ1 LYS 21 1HZ LYS 21 5.054 0.722 -10.290
150 HZ2 LYS 21 2HZ LYS 21 3.444 0.841 -9.804
151 HZ3 LYS 21 3HZ LYS 21 4.073 -0.647 -10.215
152 H SER 22 H SER 22 6.934 0.317 -2.974
153 HA SER 22 HA SER 22 8.093 -2.211 -3.508
154 HB2 SER 22 2HB SER 22 9.431 -0.127 -3.325
155 HB3 SER 22 1HB SER 22 8.999 -0.006 -1.626
156 HG SER 22 HG SER 22 10.156 -2.008 -1.281
157 H VAL 23 H VAL 23 7.231 -0.565 -0.457
158 HA VAL 23 HA VAL 23 7.778 -2.735 1.193
159 HB VAL 23 HB VAL 23 7.709 -0.399 1.985
160 HG11 VAL 23 1HG1 VAL 23 5.601 0.696 2.552
161 HG12 VAL 23 2HG1 VAL 23 4.732 -0.607 1.738
162 HG13 VAL 23 3HG1 VAL 23 5.809 0.442 0.818
163 HG21 VAL 23 1HG2 VAL 23 7.597 -2.144 3.637
164 HG22 VAL 23 2HG2 VAL 23 5.843 -2.217 3.479
165 HG23 VAL 23 3HG2 VAL 23 6.610 -0.772 4.143
166 H CYS 24 H CYS 24 4.787 -1.797 -0.399
167 HA CYS 24 HA CYS 24 3.081 -3.562 0.874
168 HB2 CYS 24 2HB CYS 24 3.027 -2.304 -1.822
169 HB3 CYS 24 1HB CYS 24 1.837 -3.538 -1.407
170 H LYS 25 H LYS 25 5.144 -4.193 -1.926
171 HA LYS 25 HA LYS 25 4.062 -6.859 -2.075
172 HB2 LYS 25 2HB LYS 25 6.223 -5.500 -3.661
173 HB3 LYS 25 1HB LYS 25 5.711 -7.163 -3.935
174 HG2 LYS 25 2HG LYS 25 3.422 -6.355 -4.389
175 HG3 LYS 25 1HG LYS 25 3.984 -4.702 -4.172
176 HD2 LYS 25 2HD LYS 25 5.033 -6.618 -6.255
177 HD3 LYS 25 1HD LYS 25 3.797 -5.395 -6.547
178 HE2 LYS 25 2HE LYS 25 5.393 -3.647 -5.923
179 HE3 LYS 25 1HE LYS 25 6.622 -4.873 -5.633
180 HZ1 LYS 25 1HZ LYS 25 6.819 -3.814 -7.816
181 HZ2 LYS 25 2HZ LYS 25 5.321 -4.409 -8.272
182 HZ3 LYS 25 3HZ LYS 25 6.587 -5.465 -7.939
183 H GLU 26 H GLU 26 6.417 -5.387 -0.301
184 HA GLU 26 HA GLU 26 8.063 -7.741 0.036
185 HB2 GLU 26 2HB GLU 26 8.044 -5.082 1.475
186 HB3 GLU 26 1HB GLU 26 9.198 -6.370 1.789
187 HG2 GLU 26 2HG GLU 26 10.052 -6.208 -0.459
188 HG3 GLU 26 1HG GLU 26 8.833 -4.999 -0.859
189 H HIS 27 H HIS 27 5.633 -5.933 1.829
190 HA HIS 27 HA HIS 27 5.599 -7.807 4.018
191 HB2 HIS 27 2HB HIS 27 3.937 -5.395 3.334
192 HB3 HIS 27 1HB HIS 27 3.462 -6.445 4.648
193 HD1 HIS 27 1HD HIS 27 4.157 -5.441 6.823
194 HD2 HIS 27 2HD HIS 27 6.827 -4.597 3.768
195 HE1 HIS 27 1HE HIS 27 5.958 -4.030 7.870
196 H TYR 28 H TYR 28 3.505 -7.086 1.237
197 HA TYR 28 HA TYR 28 1.968 -9.489 1.900
198 HB2 TYR 28 2HB TYR 28 1.002 -7.054 0.366
199 HB3 TYR 28 1HB TYR 28 0.028 -8.426 0.881
200 HD1 TYR 28 1HD TYR 28 -0.743 -8.590 3.214
201 HD2 TYR 28 2HD TYR 28 1.717 -5.360 1.946
202 HE1 TYR 28 1HE TYR 28 -1.239 -7.384 5.302
203 HE2 TYR 28 2HE TYR 28 1.246 -4.159 4.001
204 HH TYR 28 HH TYR 28 -0.344 -4.071 5.760
205 H HIS 29 H HIS 29 2.618 -11.011 0.579
206 HA HIS 29 HA HIS 29 4.015 -10.437 -1.862
207 HB2 HIS 29 2HB HIS 29 3.118 -13.119 -0.770
208 HB3 HIS 29 1HB HIS 29 4.252 -12.876 -2.092
209 HD1 HIS 29 1HD HIS 29 6.722 -12.235 -1.431
210 HD2 HIS 29 2HD HIS 29 4.105 -12.608 1.789
211 HE1 HIS 29 1HE HIS 29 8.150 -12.255 0.655
212 H HIS 30 H HIS 30 0.804 -10.722 -1.118
213 HA HIS 30 HA HIS 30 -0.027 -11.725 -3.739
214 HB2 HIS 30 2HB HIS 30 -1.755 -10.755 -1.448
215 HB3 HIS 30 1HB HIS 30 -2.301 -11.619 -2.873
216 HD1 HIS 30 1HD HIS 30 -1.866 -12.241 0.527
217 HD2 HIS 30 2HD HIS 30 -0.674 -14.262 -2.905
218 HE1 HIS 30 1HE HIS 30 -1.499 -14.621 1.223
219 H ALA 31 H ALA 31 1.017 -8.852 -2.555
220 HA ALA 31 HA ALA 31 -1.042 -7.130 -3.587
221 HB1 ALA 31 1HB ALA 31 1.694 -6.431 -2.528
222 HB2 ALA 31 2HB ALA 31 0.210 -6.483 -1.580
223 HB3 ALA 31 3HB ALA 31 0.389 -5.297 -2.873
224 H CYS 32 H CYS 32 -1.002 -5.979 -5.358
225 HA CYS 32 HA CYS 32 1.229 -6.408 -7.195
226 HB2 CYS 32 2HB CYS 32 -0.535 -5.956 -8.997
227 HB3 CYS 32 1HB CYS 32 -0.639 -7.496 -8.151
228 H LYS 33 H LYS 33 -0.964 -4.092 -5.736
229 HA LYS 33 HA LYS 33 0.804 -1.982 -6.734
230 HB2 LYS 33 2HB LYS 33 -2.186 -1.790 -6.420
231 HB3 LYS 33 1HB LYS 33 -1.147 -0.387 -6.527
232 HG2 LYS 33 2HG LYS 33 -0.402 -1.390 -8.772
233 HG3 LYS 33 1HG LYS 33 -1.854 -2.392 -8.629
234 HD2 LYS 33 2HD LYS 33 -1.780 0.634 -8.535
235 HD3 LYS 33 1HD LYS 33 -2.279 -0.334 -9.916
236 HE2 LYS 33 2HE LYS 33 -4.201 -1.141 -8.745
237 HE3 LYS 33 1HE LYS 33 -3.641 -0.450 -7.224
238 HZ1 LYS 33 1HZ LYS 33 -5.420 0.828 -8.401
239 HZ2 LYS 33 2HZ LYS 33 -4.284 1.243 -9.588
240 HZ3 LYS 33 3HZ LYS 33 -4.053 1.694 -7.971
241 H GLY 34 H GLY 34 0.859 -0.111 -5.400
242 HA2 GLY 34 2HA GLY 34 -0.101 -0.351 -2.698
243 HA3 GLY 34 1HA GLY 34 1.653 -0.253 -2.919
244 H GLU 35 H GLU 35 -1.099 1.541 -2.532
245 HA GLU 35 HA GLU 35 0.233 3.856 -3.724
246 HB2 GLU 35 2HB GLU 35 -2.758 3.417 -3.773
247 HB3 GLU 35 1HB GLU 35 -1.886 4.781 -4.435
248 HG2 GLU 35 2HG GLU 35 -0.714 3.313 -5.989
249 HG3 GLU 35 1HG GLU 35 -1.640 1.941 -5.391
250 H CYS 36 H CYS 36 0.028 5.741 -2.646
251 HA CYS 36 HA CYS 36 -0.371 5.331 0.191
252 HB2 CYS 36 2HB CYS 36 1.695 6.369 -0.881
253 HB3 CYS 36 1HB CYS 36 0.690 7.769 -1.227
254 H GLU 37 H GLU 37 -2.073 6.132 1.281
255 HA GLU 37 HA GLU 37 -3.787 8.151 0.025
256 HB2 GLU 37 2HB GLU 37 -4.784 5.529 1.145
257 HB3 GLU 37 1HB GLU 37 -5.797 6.855 0.617
258 HG2 GLU 37 2HG GLU 37 -4.900 6.537 -1.676
259 HG3 GLU 37 1HG GLU 37 -4.035 5.116 -1.084
260 H TYR 38 H TYR 38 -5.287 9.055 1.615
261 HA TYR 38 HA TYR 38 -4.025 9.377 4.133
262 HB2 TYR 38 2HB TYR 38 -6.647 10.366 3.036
263 HB3 TYR 38 1HB TYR 38 -6.153 10.670 4.697
264 HD1 TYR 38 1HD TYR 38 -5.581 11.522 1.180
265 HD2 TYR 38 2HD TYR 38 -4.280 12.132 5.183
266 HE1 TYR 38 1HE TYR 38 -4.301 13.481 0.461
267 HE2 TYR 38 2HE TYR 38 -3.007 14.084 4.482
268 HH TYR 38 HH TYR 38 -3.403 15.538 1.450
269 H HIS 39 H HIS 39 -4.246 8.253 5.861
270 HA HIS 39 HA HIS 39 -6.565 6.509 6.123
271 HB2 HIS 39 2HB HIS 39 -4.507 5.208 5.572
272 HB3 HIS 39 1HB HIS 39 -3.698 5.940 6.949
273 HD1 HIS 39 1HD HIS 39 -3.311 3.663 8.149
274 HD2 HIS 39 2HD HIS 39 -7.301 4.476 7.303
275 HE1 HIS 39 1HE HIS 39 -4.629 1.960 9.384
276 H GLY 40 H GLY 40 -7.620 7.978 7.340
277 HA2 GLY 40 2HA GLY 40 -8.239 8.941 9.334
278 HA3 GLY 40 1HA GLY 40 -6.738 8.346 10.051
279 H ARG 41 H ARG 41 -5.158 9.724 10.368
280 HA ARG 41 HA ARG 41 -5.389 12.435 9.255
281 HB2 ARG 41 2HB ARG 41 -5.284 12.243 11.722
282 HB3 ARG 41 1HB ARG 41 -3.737 11.428 11.578
283 HG2 ARG 41 2HG ARG 41 -2.775 13.441 10.563
284 HG3 ARG 41 1HG ARG 41 -4.326 14.260 10.753
285 HD2 ARG 41 2HD ARG 41 -2.617 13.147 12.972
286 HD3 ARG 41 1HD ARG 41 -2.800 14.850 12.554
287 HE ARG 41 HE ARG 41 -5.288 13.587 13.087
288 HH11 ARG 41 1HH1 ARG 41 -2.520 15.129 14.651
289 HH12 ARG 41 2HH1 ARG 41 -3.380 15.507 16.082
290 HH21 ARG 41 1HH2 ARG 41 -6.455 14.123 15.036
291 HH22 ARG 41 2HH2 ARG 41 -5.639 14.891 16.313
292 H GLU 42 H GLU 42 -3.135 9.804 9.865
293 HA GLU 42 HA GLU 42 -0.981 10.986 8.422
294 HB2 GLU 42 2HB GLU 42 -1.427 8.143 9.350
295 HB3 GLU 42 1HB GLU 42 0.071 8.756 8.668
296 HG2 GLU 42 2HG GLU 42 0.295 10.301 10.515
297 HG3 GLU 42 1HG GLU 42 -1.220 9.725 11.207
298 H VAL 43 H VAL 43 -0.084 10.092 6.497
299 HA VAL 43 HA VAL 43 -2.112 8.925 4.787
300 HB VAL 43 HB VAL 43 -1.091 11.135 4.059
301 HG11 VAL 43 1HG1 VAL 43 1.142 11.202 3.126
302 HG12 VAL 43 2HG1 VAL 43 1.388 9.542 3.667
303 HG13 VAL 43 3HG1 VAL 43 1.161 10.830 4.860
304 HG21 VAL 43 1HG2 VAL 43 -2.099 9.696 2.399
305 HG22 VAL 43 2HG2 VAL 43 -0.575 8.829 2.206
306 HG23 VAL 43 3HG2 VAL 43 -0.693 10.520 1.726
307 H HIS 44 H HIS 44 -1.844 6.872 4.213
308 HA HIS 44 HA HIS 44 0.725 5.672 4.808
309 HB2 HIS 44 2HB HIS 44 -1.772 5.093 6.171
310 HB3 HIS 44 1HB HIS 44 -1.060 3.654 5.447
311 HD1 HIS 44 1HD HIS 44 -0.651 2.880 8.050
312 HD2 HIS 44 2HD HIS 44 1.562 6.150 6.687
313 HE1 HIS 44 1HE HIS 44 1.231 3.170 9.655
314 H CYS 45 H CYS 45 0.983 3.583 3.967
315 HA CYS 45 HA CYS 45 0.352 3.651 1.179
316 HB2 CYS 45 2HB CYS 45 2.598 3.250 2.041
317 HB3 CYS 45 1HB CYS 45 2.016 1.822 2.887
318 H HIS 46 H HIS 46 -1.293 2.467 0.316
319 HA HIS 46 HA HIS 46 -2.345 0.278 1.929
320 HB2 HIS 46 2HB HIS 46 -3.715 2.063 -0.068
321 HB3 HIS 46 1HB HIS 46 -4.426 0.567 0.514
322 HD1 HIS 46 1HD HIS 46 -5.594 3.466 0.969
323 HD2 HIS 46 2HD HIS 46 -3.436 1.242 3.738
324 HE1 HIS 46 1HE HIS 46 -6.270 4.337 3.267
325 H CYS 47 H CYS 47 -2.203 -1.651 1.205
326 HA CYS 47 HA CYS 47 -0.900 -2.073 -1.356
327 HB2 CYS 47 2HB CYS 47 -1.421 -3.996 0.898
328 HB3 CYS 47 1HB CYS 47 -0.283 -4.192 -0.437
329 H TYR 48 H TYR 48 -2.072 -2.647 -3.021
330 HA TYR 48 HA TYR 48 -4.711 -3.887 -2.603
331 HB2 TYR 48 2HB TYR 48 -3.581 -2.670 -5.126
332 HB3 TYR 48 1HB TYR 48 -5.217 -3.255 -4.892
333 HD1 TYR 48 1HD TYR 48 -6.711 -1.990 -3.235
334 HD2 TYR 48 2HD TYR 48 -2.997 -0.483 -4.657
335 HE1 TYR 48 1HE TYR 48 -7.397 0.280 -2.625
336 HE2 TYR 48 2HE TYR 48 -3.667 1.763 -4.053
337 HH TYR 48 HH TYR 48 -6.086 2.587 -2.045
338 H GLY 49 H GLY 49 -5.109 -5.871 -3.443
339 HA2 GLY 49 2HA GLY 49 -3.576 -7.030 -5.505
340 HA3 GLY 49 1HA GLY 49 -3.036 -7.632 -3.942
341 H ASP 50 H ASP 50 -3.758 -9.655 -4.819
342 HA ASP 50 HA ASP 50 -6.585 -10.096 -5.131
343 HB2 ASP 50 2HB ASP 50 -4.933 -11.399 -6.426
344 HB3 ASP 50 1HB ASP 50 -4.290 -12.048 -4.926
345 H TYR 51 H TYR 51 -7.892 -10.271 -3.437
346 HA TYR 51 HA TYR 51 -6.726 -10.585 -0.835
347 HB2 TYR 51 2HB TYR 51 -8.454 -8.799 -1.457
348 HB3 TYR 51 1HB TYR 51 -9.635 -10.101 -1.498
349 HD1 TYR 51 1HD TYR 51 -10.280 -11.242 0.602
350 HD2 TYR 51 2HD TYR 51 -7.573 -7.977 0.620
351 HE1 TYR 51 1HE TYR 51 -10.584 -11.023 3.009
352 HE2 TYR 51 2HE TYR 51 -7.855 -7.747 3.027
353 HH TYR 51 HH TYR 51 -9.644 -8.346 4.732
354 H HIS 52 H HIS 52 -7.145 -12.185 0.481
355 HA HIS 52 HA HIS 52 -8.476 -14.552 -0.622
356 HB2 HIS 52 2HB HIS 52 -6.007 -14.762 -0.282
357 HB3 HIS 52 1HB HIS 52 -6.237 -14.400 1.421
358 HD1 HIS 52 1HD HIS 52 -6.268 -16.439 2.848
359 HD2 HIS 52 2HD HIS 52 -7.522 -17.230 -1.025
360 HE1 HIS 52 1HE HIS 52 -6.625 -18.943 2.726
Start of MODEL 10
1 H1 ALA 1 H ALA 1 -0.320 -7.682 -13.755
2 HA ALA 1 HA ALA 1 -2.179 -8.247 -12.360
3 HB1 ALA 1 1HB ALA 1 -0.142 -6.830 -10.662
4 HB2 ALA 1 2HB ALA 1 -0.061 -8.515 -11.178
5 HB3 ALA 1 3HB ALA 1 -1.333 -7.985 -10.074
6 H HIS 2 H HIS 2 -4.105 -7.520 -11.699
7 HA HIS 2 HA HIS 2 -4.362 -4.653 -11.108
8 HB2 HIS 2 2HB HIS 2 -6.362 -6.461 -12.496
9 HB3 HIS 2 1HB HIS 2 -6.695 -4.810 -11.995
10 HD1 HIS 2 1HD HIS 2 -5.968 -6.565 -14.953
11 HD2 HIS 2 2HD HIS 2 -4.515 -3.070 -13.254
12 HE1 HIS 2 1HE HIS 2 -4.973 -5.252 -16.839
13 H CYS 3 H CYS 3 -5.055 -4.262 -9.092
14 HA CYS 3 HA CYS 3 -6.608 -6.338 -7.741
15 HB2 CYS 3 2HB CYS 3 -4.333 -4.860 -6.428
16 HB3 CYS 3 1HB CYS 3 -5.271 -6.183 -5.760
17 H ASP 4 H ASP 4 -8.284 -5.458 -6.677
18 HA ASP 4 HA ASP 4 -8.224 -2.561 -6.095
19 HB2 ASP 4 2HB ASP 4 -10.625 -2.478 -6.359
20 HB3 ASP 4 1HB ASP 4 -9.958 -3.253 -7.787
21 H HIS 5 H HIS 5 -8.344 -5.672 -4.828
22 HA HIS 5 HA HIS 5 -9.926 -5.052 -2.497
23 HB2 HIS 5 2HB HIS 5 -9.915 -7.303 -3.655
24 HB3 HIS 5 1HB HIS 5 -8.278 -7.517 -3.065
25 HD1 HIS 5 1HD HIS 5 -8.030 -7.772 -0.391
26 HD2 HIS 5 2HD HIS 5 -11.903 -7.881 -1.889
27 HE1 HIS 5 1HE HIS 5 -9.453 -8.755 1.429
28 H PHE 6 H PHE 6 -9.150 -4.413 -0.632
29 HA PHE 6 HA PHE 6 -6.367 -3.743 -0.336
30 HB2 PHE 6 2HB PHE 6 -8.716 -3.445 1.549
31 HB3 PHE 6 1HB PHE 6 -7.092 -2.879 1.887
32 HD1 PHE 6 1HD PHE 6 -9.920 -2.445 -0.503
33 HD2 PHE 6 2HD PHE 6 -6.449 -0.733 1.270
34 HE1 PHE 6 1HE PHE 6 -10.486 -0.285 -1.496
35 HE2 PHE 6 2HE PHE 6 -7.011 1.430 0.265
36 HZ PHE 6 HZ PHE 6 -9.030 1.663 -1.118
37 H LEU 7 H LEU 7 -4.917 -4.891 0.693
38 HA LEU 7 HA LEU 7 -5.696 -7.375 2.036
39 HB2 LEU 7 2HB LEU 7 -2.999 -6.274 1.308
40 HB3 LEU 7 1HB LEU 7 -3.263 -7.819 2.072
41 HG LEU 7 HG LEU 7 -4.088 -7.022 -0.708
42 HD11 LEU 7 1HD1 LEU 7 -2.034 -8.893 0.408
43 HD12 LEU 7 2HD1 LEU 7 -1.751 -7.400 -0.491
44 HD13 LEU 7 3HD1 LEU 7 -2.473 -8.800 -1.289
45 HD21 LEU 7 1HD2 LEU 7 -4.462 -9.630 0.761
46 HD22 LEU 7 2HD2 LEU 7 -4.751 -9.358 -0.956
47 HD23 LEU 7 3HD2 LEU 7 -5.745 -8.529 0.243
48 H GLY 8 H GLY 8 -3.906 -4.399 2.603
49 HA2 GLY 8 2HA GLY 8 -4.598 -4.128 5.246
50 HA3 GLY 8 1HA GLY 8 -3.053 -4.980 5.180
51 H GLU 9 H GLU 9 -2.562 -2.815 6.289
52 HA GLU 9 HA GLU 9 -1.772 -0.933 4.192
53 HB2 GLU 9 2HB GLU 9 -2.099 0.864 5.842
54 HB3 GLU 9 1HB GLU 9 -3.584 -0.007 5.483
55 HG2 GLU 9 2HG GLU 9 -3.271 -1.318 7.550
56 HG3 GLU 9 1HG GLU 9 -1.872 -0.316 7.926
57 H ALA 10 H ALA 10 0.074 0.384 4.802
58 HA ALA 10 HA ALA 10 1.841 -0.787 6.804
59 HB1 ALA 10 1HB ALA 10 3.730 -0.638 5.246
60 HB2 ALA 10 2HB ALA 10 2.637 -0.115 3.963
61 HB3 ALA 10 3HB ALA 10 2.491 -1.736 4.644
62 HA PRO 11 HA PRO 11 2.349 3.569 7.660
63 HB2 PRO 11 2HB PRO 11 4.154 3.392 9.634
64 HB3 PRO 11 1HB PRO 11 2.502 2.801 9.844
65 HG2 PRO 11 2HG PRO 11 5.013 1.254 9.319
66 HG3 PRO 11 1HG PRO 11 3.645 0.825 10.353
67 HD2 PRO 11 2HD PRO 11 4.090 -0.112 7.782
68 HD3 PRO 11 1HD PRO 11 2.539 -0.140 8.641
69 H VAL 12 H VAL 12 3.361 4.751 6.028
70 HA VAL 12 HA VAL 12 6.244 4.871 6.085
71 HB VAL 12 HB VAL 12 6.241 5.058 3.580
72 HG11 VAL 12 1HG1 VAL 12 7.119 3.053 4.653
73 HG12 VAL 12 2HG1 VAL 12 6.272 2.615 3.167
74 HG13 VAL 12 3HG1 VAL 12 5.498 2.362 4.731
75 HG21 VAL 12 1HG2 VAL 12 3.547 3.763 3.841
76 HG22 VAL 12 2HG2 VAL 12 4.454 3.899 2.332
77 HG23 VAL 12 3HG2 VAL 12 3.892 5.353 3.161
78 H TYR 13 H TYR 13 6.843 6.969 6.224
79 HA TYR 13 HA TYR 13 5.473 8.950 4.684
80 HB2 TYR 13 2HB TYR 13 4.061 8.851 6.740
81 HB3 TYR 13 1HB TYR 13 5.481 9.229 7.705
82 HD1 TYR 13 1HD TYR 13 3.374 10.568 4.947
83 HD2 TYR 13 2HD TYR 13 6.011 11.470 8.144
84 HE1 TYR 13 1HE TYR 13 2.899 12.955 4.657
85 HE2 TYR 13 2HE TYR 13 5.545 13.869 7.859
86 HH TYR 13 HH TYR 13 4.714 15.417 6.095
87 HA PRO 14 HA PRO 14 5.748 10.913 3.909
88 HB2 PRO 14 2HB PRO 14 7.314 11.698 1.816
89 HB3 PRO 14 1HB PRO 14 7.025 12.714 3.234
90 HG2 PRO 14 2HG PRO 14 9.353 10.937 2.626
91 HG3 PRO 14 1HG PRO 14 9.358 12.597 3.259
92 HD2 PRO 14 2HD PRO 14 9.712 10.477 4.852
93 HD3 PRO 14 1HD PRO 14 8.803 11.899 5.399
94 H CYS 15 H CYS 15 4.801 9.986 2.073
95 HA CYS 15 HA CYS 15 5.800 7.309 1.554
96 HB2 CYS 15 2HB CYS 15 3.476 7.496 2.210
97 HB3 CYS 15 1HB CYS 15 3.175 8.624 0.896
98 H LYS 16 H LYS 16 6.649 6.672 -0.193
99 HA LYS 16 HA LYS 16 6.395 8.328 -2.602
100 HB2 LYS 16 2HB LYS 16 8.527 6.261 -1.917
101 HB3 LYS 16 1HB LYS 16 8.351 7.008 -3.484
102 HG2 LYS 16 2HG LYS 16 10.165 8.049 -2.326
103 HG3 LYS 16 1HG LYS 16 8.846 9.211 -2.446
104 HD2 LYS 16 2HD LYS 16 9.686 9.395 -0.238
105 HD3 LYS 16 1HD LYS 16 8.158 8.484 -0.227
106 HE2 LYS 16 2HE LYS 16 9.346 6.372 -0.038
107 HE3 LYS 16 1HE LYS 16 10.893 7.196 -0.158
108 HZ1 LYS 16 1HZ LYS 16 10.534 8.211 1.967
109 HZ2 LYS 16 2HZ LYS 16 10.253 6.559 2.127
110 HZ3 LYS 16 3HZ LYS 16 8.956 7.625 2.048
111 H GLU 17 H GLU 17 5.339 7.444 -4.177
112 HA GLU 17 HA GLU 17 3.811 5.208 -3.603
113 HB2 GLU 17 2HB GLU 17 3.094 5.233 -6.059
114 HB3 GLU 17 1HB GLU 17 2.694 6.585 -5.022
115 HG2 GLU 17 2HG GLU 17 3.303 7.438 -7.091
116 HG3 GLU 17 1HG GLU 17 4.641 7.790 -6.006
117 H LYS 18 H LYS 18 6.627 5.249 -5.706
118 HA LYS 18 HA LYS 18 6.637 2.510 -6.299
119 HB2 LYS 18 2HB LYS 18 9.037 4.294 -5.828
120 HB3 LYS 18 1HB LYS 18 9.099 2.708 -6.570
121 HG2 LYS 18 2HG LYS 18 7.723 5.149 -7.674
122 HG3 LYS 18 1HG LYS 18 9.235 4.445 -8.241
123 HD2 LYS 18 2HD LYS 18 8.004 2.380 -8.839
124 HD3 LYS 18 1HD LYS 18 6.507 3.156 -8.328
125 HE2 LYS 18 2HE LYS 18 8.322 4.109 -10.536
126 HE3 LYS 18 1HE LYS 18 6.797 3.262 -10.765
127 HZ1 LYS 18 1HZ LYS 18 6.425 5.591 -11.044
128 HZ2 LYS 18 2HZ LYS 18 7.201 5.956 -9.597
129 HZ3 LYS 18 3HZ LYS 18 5.725 5.195 -9.554
130 H ALA 19 H ALA 19 7.895 4.224 -3.509
131 HA ALA 19 HA ALA 19 9.085 2.030 -2.203
132 HB1 ALA 19 1HB ALA 19 7.914 4.512 -0.934
133 HB2 ALA 19 2HB ALA 19 9.556 4.370 -1.565
134 HB3 ALA 19 3HB ALA 19 9.051 3.397 -0.186
135 H CYS 20 H CYS 20 5.893 3.506 -1.856
136 HA CYS 20 HA CYS 20 4.816 1.862 0.111
137 HB2 CYS 20 2HB CYS 20 3.734 3.915 -0.665
138 HB3 CYS 20 1HB CYS 20 3.496 3.221 -2.254
139 H LYS 21 H LYS 21 4.806 1.461 -3.413
140 HA LYS 21 HA LYS 21 3.417 -0.963 -3.484
141 HB2 LYS 21 2HB LYS 21 3.733 0.484 -5.404
142 HB3 LYS 21 1HB LYS 21 5.458 0.170 -5.393
143 HG2 LYS 21 2HG LYS 21 5.092 -2.134 -5.987
144 HG3 LYS 21 1HG LYS 21 3.346 -1.926 -5.857
145 HD2 LYS 21 2HD LYS 21 5.124 -0.464 -7.815
146 HD3 LYS 21 1HD LYS 21 4.140 -1.874 -8.204
147 HE2 LYS 21 2HE LYS 21 2.126 -0.597 -7.503
148 HE3 LYS 21 1HE LYS 21 3.145 0.817 -7.252
149 HZ1 LYS 21 1HZ LYS 21 2.031 0.869 -9.365
150 HZ2 LYS 21 2HZ LYS 21 2.755 -0.579 -9.834
151 HZ3 LYS 21 3HZ LYS 21 3.693 0.793 -9.592
152 H SER 22 H SER 22 6.884 -0.281 -3.196
153 HA SER 22 HA SER 22 7.754 -2.967 -3.303
154 HB2 SER 22 2HB SER 22 9.261 -1.034 -3.662
155 HB3 SER 22 1HB SER 22 9.048 -0.567 -1.980
156 HG SER 22 HG SER 22 10.020 -2.681 -1.426
157 H VAL 23 H VAL 23 7.018 -0.772 -0.607
158 HA VAL 23 HA VAL 23 7.573 -2.530 1.484
159 HB VAL 23 HB VAL 23 5.616 -0.199 1.372
160 HG11 VAL 23 1HG1 VAL 23 5.009 -1.709 3.212
161 HG12 VAL 23 2HG1 VAL 23 5.687 -0.197 3.818
162 HG13 VAL 23 3HG1 VAL 23 6.671 -1.659 3.794
163 HG21 VAL 23 1HG2 VAL 23 7.924 0.420 0.996
164 HG22 VAL 23 2HG2 VAL 23 8.413 -0.440 2.455
165 HG23 VAL 23 3HG2 VAL 23 7.392 0.990 2.577
166 H CYS 24 H CYS 24 4.558 -1.961 -0.286
167 HA CYS 24 HA CYS 24 3.044 -3.862 1.042
168 HB2 CYS 24 2HB CYS 24 2.888 -2.835 -1.780
169 HB3 CYS 24 1HB CYS 24 1.728 -3.993 -1.129
170 H LYS 25 H LYS 25 5.161 -4.279 -1.789
171 HA LYS 25 HA LYS 25 4.622 -7.018 -2.184
172 HB2 LYS 25 2HB LYS 25 6.955 -5.276 -2.930
173 HB3 LYS 25 1HB LYS 25 6.949 -6.992 -3.282
174 HG2 LYS 25 2HG LYS 25 4.879 -5.034 -4.271
175 HG3 LYS 25 1HG LYS 25 6.282 -5.580 -5.196
176 HD2 LYS 25 2HD LYS 25 5.480 -7.912 -4.941
177 HD3 LYS 25 1HD LYS 25 4.023 -7.296 -4.160
178 HE2 LYS 25 2HE LYS 25 3.494 -6.039 -6.206
179 HE3 LYS 25 1HE LYS 25 4.934 -6.710 -6.974
180 HZ1 LYS 25 1HZ LYS 25 2.980 -7.988 -7.594
181 HZ2 LYS 25 2HZ LYS 25 2.600 -8.255 -5.978
182 HZ3 LYS 25 3HZ LYS 25 3.986 -8.942 -6.627
183 H GLU 26 H GLU 26 6.570 -5.429 0.137
184 HA GLU 26 HA GLU 26 8.008 -7.860 0.804
185 HB2 GLU 26 2HB GLU 26 8.266 -5.047 1.861
186 HB3 GLU 26 1HB GLU 26 9.294 -6.396 2.339
187 HG2 GLU 26 2HG GLU 26 10.106 -6.645 0.079
188 HG3 GLU 26 1HG GLU 26 8.998 -5.403 -0.487
189 H HIS 27 H HIS 27 5.498 -5.809 2.162
190 HA HIS 27 HA HIS 27 5.414 -7.368 4.607
191 HB2 HIS 27 2HB HIS 27 3.735 -5.076 3.598
192 HB3 HIS 27 1HB HIS 27 3.234 -6.014 4.989
193 HD1 HIS 27 1HD HIS 27 3.814 -4.834 7.113
194 HD2 HIS 27 2HD HIS 27 6.531 -4.049 4.077
195 HE1 HIS 27 1HE HIS 27 5.441 -3.160 8.074
196 H TYR 28 H TYR 28 3.300 -6.911 1.780
197 HA TYR 28 HA TYR 28 1.821 -9.326 2.567
198 HB2 TYR 28 2HB TYR 28 0.758 -6.932 1.019
199 HB3 TYR 28 1HB TYR 28 -0.170 -8.323 1.563
200 HD1 TYR 28 1HD TYR 28 1.417 -5.183 2.555
201 HD2 TYR 28 2HD TYR 28 -0.858 -8.507 3.913
202 HE1 TYR 28 1HE TYR 28 0.963 -3.994 4.610
203 HE2 TYR 28 2HE TYR 28 -1.348 -7.320 6.000
204 HH TYR 28 HH TYR 28 -0.494 -3.964 6.483
205 H HIS 29 H HIS 29 2.671 -10.818 1.240
206 HA HIS 29 HA HIS 29 3.888 -10.039 -1.230
207 HB2 HIS 29 2HB HIS 29 3.509 -12.816 -0.112
208 HB3 HIS 29 1HB HIS 29 4.558 -12.378 -1.458
209 HD1 HIS 29 1HD HIS 29 6.590 -10.607 -0.716
210 HD2 HIS 29 2HD HIS 29 4.662 -12.713 2.288
211 HE1 HIS 29 1HE HIS 29 8.066 -10.432 1.287
212 H HIS 30 H HIS 30 0.790 -10.636 -0.492
213 HA HIS 30 HA HIS 30 0.059 -11.823 -3.058
214 HB2 HIS 30 2HB HIS 30 -1.694 -10.920 -0.745
215 HB3 HIS 30 1HB HIS 30 -2.270 -11.733 -2.189
216 HD1 HIS 30 1HD HIS 30 -2.119 -14.299 -2.200
217 HD2 HIS 30 2HD HIS 30 -0.246 -12.538 1.064
218 HE1 HIS 30 1HE HIS 30 -1.616 -16.177 -0.596
219 H ALA 31 H ALA 31 0.858 -8.838 -1.918
220 HA ALA 31 HA ALA 31 -1.225 -7.246 -3.135
221 HB1 ALA 31 1HB ALA 31 1.411 -6.365 -1.961
222 HB2 ALA 31 2HB ALA 31 -0.091 -6.480 -1.060
223 HB3 ALA 31 3HB ALA 31 0.057 -5.323 -2.381
224 H CYS 32 H CYS 32 -1.070 -6.054 -4.963
225 HA CYS 32 HA CYS 32 1.334 -6.558 -6.581
226 HB2 CYS 32 2HB CYS 32 -0.002 -6.582 -8.559
227 HB3 CYS 32 1HB CYS 32 -0.786 -7.654 -7.406
228 H LYS 33 H LYS 33 -0.770 -4.231 -5.154
229 HA LYS 33 HA LYS 33 0.760 -2.068 -6.357
230 HB2 LYS 33 2HB LYS 33 -2.251 -2.204 -6.204
231 HB3 LYS 33 1HB LYS 33 -1.367 -0.710 -6.428
232 HG2 LYS 33 2HG LYS 33 -0.457 -1.631 -8.537
233 HG3 LYS 33 1HG LYS 33 -1.474 -3.059 -8.302
234 HD2 LYS 33 2HD LYS 33 -3.468 -1.703 -8.349
235 HD3 LYS 33 1HD LYS 33 -2.499 -0.230 -8.430
236 HE2 LYS 33 2HE LYS 33 -1.607 -0.977 -10.590
237 HE3 LYS 33 1HE LYS 33 -2.657 -2.393 -10.521
238 HZ1 LYS 33 1HZ LYS 33 -3.612 0.431 -10.541
239 HZ2 LYS 33 2HZ LYS 33 -4.576 -0.942 -10.581
240 HZ3 LYS 33 3HZ LYS 33 -3.572 -0.594 -11.870
241 H GLY 34 H GLY 34 0.464 -0.054 -5.114
242 HA2 GLY 34 2HA GLY 34 -0.578 -0.309 -2.452
243 HA3 GLY 34 1HA GLY 34 1.168 -0.075 -2.584
244 H GLU 35 H GLU 35 -1.322 1.634 -1.829
245 HA GLU 35 HA GLU 35 -0.249 4.030 -3.098
246 HB2 GLU 35 2HB GLU 35 -2.225 3.224 -4.436
247 HB3 GLU 35 1HB GLU 35 -3.214 3.463 -3.000
248 HG2 GLU 35 2HG GLU 35 -3.480 5.338 -4.455
249 HG3 GLU 35 1HG GLU 35 -2.577 5.852 -3.027
250 H CYS 36 H CYS 36 -0.089 5.615 -1.635
251 HA CYS 36 HA CYS 36 -1.099 5.103 1.001
252 HB2 CYS 36 2HB CYS 36 0.682 7.295 -0.077
253 HB3 CYS 36 1HB CYS 36 0.199 7.150 1.606
254 H GLU 37 H GLU 37 -2.973 5.684 1.565
255 HA GLU 37 HA GLU 37 -4.229 7.986 0.247
256 HB2 GLU 37 2HB GLU 37 -5.546 5.551 1.457
257 HB3 GLU 37 1HB GLU 37 -6.383 6.902 0.707
258 HG2 GLU 37 2HG GLU 37 -5.316 6.371 -1.431
259 HG3 GLU 37 1HG GLU 37 -4.487 5.019 -0.670
260 H TYR 38 H TYR 38 -5.636 9.264 1.626
261 HA TYR 38 HA TYR 38 -4.341 9.582 4.166
262 HB2 TYR 38 2HB TYR 38 -6.356 11.303 2.732
263 HB3 TYR 38 1HB TYR 38 -5.683 11.678 4.306
264 HD1 TYR 38 1HD TYR 38 -3.416 12.384 4.550
265 HD2 TYR 38 2HD TYR 38 -4.969 11.480 0.707
266 HE1 TYR 38 1HE TYR 38 -1.492 13.489 3.531
267 HE2 TYR 38 2HE TYR 38 -3.049 12.580 -0.340
268 HH TYR 38 HH TYR 38 -0.270 13.480 1.439
269 H HIS 39 H HIS 39 -5.013 8.148 5.543
270 HA HIS 39 HA HIS 39 -7.628 8.568 6.655
271 HB2 HIS 39 2HB HIS 39 -7.955 6.615 5.104
272 HB3 HIS 39 1HB HIS 39 -6.677 5.760 5.966
273 HD1 HIS 39 1HD HIS 39 -7.445 4.353 7.938
274 HD2 HIS 39 2HD HIS 39 -10.221 7.241 6.818
275 HE1 HIS 39 1HE HIS 39 -9.462 3.996 9.419
276 H GLY 40 H GLY 40 -6.886 9.328 8.511
277 HA2 GLY 40 2HA GLY 40 -6.190 8.440 10.719
278 HA3 GLY 40 1HA GLY 40 -4.813 7.758 9.855
279 H ARG 41 H ARG 41 -3.362 8.920 11.099
280 HA ARG 41 HA ARG 41 -3.582 11.809 11.004
281 HB2 ARG 41 2HB ARG 41 -2.931 10.664 13.112
282 HB3 ARG 41 1HB ARG 41 -1.464 10.108 12.327
283 HG2 ARG 41 2HG ARG 41 -1.149 12.091 13.791
284 HG3 ARG 41 1HG ARG 41 -0.641 12.346 12.119
285 HD2 ARG 41 2HD ARG 41 -1.941 14.249 13.110
286 HD3 ARG 41 1HD ARG 41 -2.629 13.589 11.628
287 HE ARG 41 HE ARG 41 -3.602 12.787 14.281
288 HH11 ARG 41 1HH1 ARG 41 -4.296 14.172 11.060
289 HH12 ARG 41 2HH1 ARG 41 -5.971 14.066 11.233
290 HH21 ARG 41 1HH2 ARG 41 -5.911 12.628 14.475
291 HH22 ARG 41 2HH2 ARG 41 -6.924 13.161 13.219
292 H GLU 42 H GLU 42 -1.434 9.254 9.950
293 HA GLU 42 HA GLU 42 -0.150 11.179 8.158
294 HB2 GLU 42 2HB GLU 42 0.877 8.501 9.139
295 HB3 GLU 42 1HB GLU 42 1.744 9.617 8.091
296 HG2 GLU 42 2HG GLU 42 1.796 11.272 9.884
297 HG3 GLU 42 1HG GLU 42 0.913 10.169 10.932
298 H VAL 43 H VAL 43 0.279 10.304 6.008
299 HA VAL 43 HA VAL 43 -2.005 8.960 5.021
300 HB VAL 43 HB VAL 43 -0.622 10.708 3.818
301 HG11 VAL 43 1HG1 VAL 43 1.274 8.464 3.280
302 HG12 VAL 43 2HG1 VAL 43 1.587 9.932 4.204
303 HG13 VAL 43 3HG1 VAL 43 1.284 10.029 2.465
304 HG21 VAL 43 1HG2 VAL 43 -1.283 8.175 2.374
305 HG22 VAL 43 2HG2 VAL 43 -0.852 9.681 1.569
306 HG23 VAL 43 3HG2 VAL 43 -2.292 9.605 2.585
307 H HIS 44 H HIS 44 -2.299 6.775 4.705
308 HA HIS 44 HA HIS 44 0.022 5.144 5.384
309 HB2 HIS 44 2HB HIS 44 -2.871 4.740 6.053
310 HB3 HIS 44 1HB HIS 44 -1.819 3.338 5.907
311 HD1 HIS 44 1HD HIS 44 -2.172 2.905 8.529
312 HD2 HIS 44 2HD HIS 44 -0.277 6.487 7.563
313 HE1 HIS 44 1HE HIS 44 -1.067 3.705 10.643
314 H CYS 45 H CYS 45 0.567 3.375 4.312
315 HA CYS 45 HA CYS 45 -0.017 3.420 1.501
316 HB2 CYS 45 2HB CYS 45 2.254 3.141 2.344
317 HB3 CYS 45 1HB CYS 45 1.778 1.712 3.242
318 H HIS 46 H HIS 46 -1.895 2.466 0.877
319 HA HIS 46 HA HIS 46 -2.799 0.147 2.341
320 HB2 HIS 46 2HB HIS 46 -4.137 1.843 0.221
321 HB3 HIS 46 1HB HIS 46 -4.868 0.433 0.975
322 HD1 HIS 46 1HD HIS 46 -5.985 3.396 1.144
323 HD2 HIS 46 2HD HIS 46 -3.809 1.421 4.069
324 HE1 HIS 46 1HE HIS 46 -6.582 4.525 3.351
325 H CYS 47 H CYS 47 -2.478 -1.771 1.620
326 HA CYS 47 HA CYS 47 -1.175 -2.089 -0.950
327 HB2 CYS 47 2HB CYS 47 -1.503 -3.995 1.361
328 HB3 CYS 47 1HB CYS 47 -0.528 -4.277 -0.082
329 H TYR 48 H TYR 48 -2.217 -2.806 -2.612
330 HA TYR 48 HA TYR 48 -4.856 -4.067 -2.275
331 HB2 TYR 48 2HB TYR 48 -3.616 -3.012 -4.825
332 HB3 TYR 48 1HB TYR 48 -5.301 -3.419 -4.546
333 HD1 TYR 48 1HD TYR 48 -2.771 -0.879 -4.350
334 HD2 TYR 48 2HD TYR 48 -6.683 -1.917 -3.050
335 HE1 TYR 48 1HE TYR 48 -3.183 1.446 -3.777
336 HE2 TYR 48 2HE TYR 48 -7.110 0.419 -2.471
337 HH TYR 48 HH TYR 48 -5.705 2.511 -1.858
338 H GLY 49 H GLY 49 -5.066 -6.189 -2.876
339 HA2 GLY 49 2HA GLY 49 -3.033 -7.349 -4.585
340 HA3 GLY 49 1HA GLY 49 -3.055 -7.926 -2.927
341 H ASP 50 H ASP 50 -3.327 -9.809 -4.489
342 HA ASP 50 HA ASP 50 -6.121 -10.255 -5.194
343 HB2 ASP 50 2HB ASP 50 -4.381 -10.923 -6.821
344 HB3 ASP 50 1HB ASP 50 -3.671 -11.990 -5.619
345 H TYR 51 H TYR 51 -7.342 -10.848 -3.563
346 HA TYR 51 HA TYR 51 -6.216 -12.657 -1.543
347 HB2 TYR 51 2HB TYR 51 -6.560 -10.376 -0.692
348 HB3 TYR 51 1HB TYR 51 -8.242 -10.444 -1.187
349 HD1 TYR 51 1HD TYR 51 -9.872 -11.636 0.139
350 HD2 TYR 51 2HD TYR 51 -5.763 -11.674 1.231
351 HE1 TYR 51 1HE TYR 51 -10.474 -12.539 2.322
352 HE2 TYR 51 2HE TYR 51 -6.354 -12.582 3.424
353 HH TYR 51 HH TYR 51 -9.394 -13.871 4.066
354 H HIS 52 H HIS 52 -7.372 -14.429 -1.095
355 HA HIS 52 HA HIS 52 -10.163 -14.588 -1.840
356 HB2 HIS 52 2HB HIS 52 -8.061 -16.609 -2.686
357 HB3 HIS 52 1HB HIS 52 -9.784 -16.945 -2.686
358 HD1 HIS 52 1HD HIS 52 -7.205 -16.010 -4.948
359 HD2 HIS 52 2HD HIS 52 -11.164 -14.875 -4.412
360 HE1 HIS 52 1HE HIS 52 -7.934 -14.994 -7.130
Start of MODEL 11
1 H1 ALA 1 H ALA 1 -1.352 -7.389 -13.820
2 HA ALA 1 HA ALA 1 -3.771 -6.785 -13.679
3 HB1 ALA 1 1HB ALA 1 -4.342 -8.072 -11.664
4 HB2 ALA 1 2HB ALA 1 -2.661 -7.998 -11.143
5 HB3 ALA 1 3HB ALA 1 -3.091 -8.876 -12.611
6 H HIS 2 H HIS 2 -5.366 -5.533 -12.596
7 HA HIS 2 HA HIS 2 -4.253 -3.373 -11.023
8 HB2 HIS 2 2HB HIS 2 -5.953 -2.851 -12.790
9 HB3 HIS 2 1HB HIS 2 -7.137 -3.794 -11.888
10 HD1 HIS 2 1HD HIS 2 -8.196 -2.651 -9.741
11 HD2 HIS 2 2HD HIS 2 -5.252 -0.388 -11.653
12 HE1 HIS 2 1HE HIS 2 -8.289 -0.385 -8.704
13 H CYS 3 H CYS 3 -4.205 -3.452 -8.958
14 HA CYS 3 HA CYS 3 -5.454 -5.668 -7.565
15 HB2 CYS 3 2HB CYS 3 -3.668 -3.564 -6.443
16 HB3 CYS 3 1HB CYS 3 -3.849 -5.238 -5.920
17 H ASP 4 H ASP 4 -7.359 -5.347 -6.555
18 HA ASP 4 HA ASP 4 -8.080 -2.609 -5.730
19 HB2 ASP 4 2HB ASP 4 -9.871 -4.863 -6.617
20 HB3 ASP 4 1HB ASP 4 -10.471 -3.435 -5.803
21 H HIS 5 H HIS 5 -7.859 -5.930 -4.687
22 HA HIS 5 HA HIS 5 -9.412 -5.668 -2.322
23 HB2 HIS 5 2HB HIS 5 -7.263 -7.666 -3.018
24 HB3 HIS 5 1HB HIS 5 -8.275 -7.755 -1.588
25 HD1 HIS 5 1HD HIS 5 -8.214 -8.492 -5.210
26 HD2 HIS 5 2HD HIS 5 -10.953 -8.427 -2.094
27 HE1 HIS 5 1HE HIS 5 -10.183 -9.865 -5.984
28 H PHE 6 H PHE 6 -8.910 -4.495 -0.641
29 HA PHE 6 HA PHE 6 -6.251 -3.716 -0.002
30 HB2 PHE 6 2HB PHE 6 -8.095 -2.262 0.625
31 HB3 PHE 6 1HB PHE 6 -8.867 -3.565 1.515
32 HD1 PHE 6 1HD PHE 6 -8.415 -3.903 3.767
33 HD2 PHE 6 2HD PHE 6 -5.870 -1.364 1.489
34 HE1 PHE 6 1HE PHE 6 -7.300 -3.189 5.826
35 HE2 PHE 6 2HE PHE 6 -4.752 -0.645 3.556
36 HZ PHE 6 HZ PHE 6 -5.463 -1.556 5.724
37 H LEU 7 H LEU 7 -4.861 -5.065 0.787
38 HA LEU 7 HA LEU 7 -5.761 -7.522 2.079
39 HB2 LEU 7 2HB LEU 7 -3.072 -6.617 1.129
40 HB3 LEU 7 1HB LEU 7 -3.347 -8.168 1.873
41 HG LEU 7 HG LEU 7 -4.449 -7.184 -0.762
42 HD11 LEU 7 1HD1 LEU 7 -2.487 -9.344 -0.073
43 HD12 LEU 7 2HD1 LEU 7 -2.130 -7.798 -0.847
44 HD13 LEU 7 3HD1 LEU 7 -3.110 -9.001 -1.685
45 HD21 LEU 7 1HD2 LEU 7 -4.924 -9.821 0.636
46 HD22 LEU 7 2HD2 LEU 7 -5.383 -9.447 -1.023
47 HD23 LEU 7 3HD2 LEU 7 -6.136 -8.578 0.310
48 H GLY 8 H GLY 8 -3.853 -4.672 2.728
49 HA2 GLY 8 2HA GLY 8 -4.251 -4.665 5.476
50 HA3 GLY 8 1HA GLY 8 -2.728 -5.467 5.127
51 H GLU 9 H GLU 9 -2.464 -3.168 6.420
52 HA GLU 9 HA GLU 9 -1.695 -1.322 4.287
53 HB2 GLU 9 2HB GLU 9 -1.644 0.454 5.957
54 HB3 GLU 9 1HB GLU 9 -3.212 -0.328 5.961
55 HG2 GLU 9 2HG GLU 9 -2.706 -1.478 7.987
56 HG3 GLU 9 1HG GLU 9 -1.026 -0.942 7.925
57 H ALA 10 H ALA 10 0.374 -0.179 4.693
58 HA ALA 10 HA ALA 10 2.280 -1.846 6.179
59 HB1 ALA 10 1HB ALA 10 2.452 -2.411 3.796
60 HB2 ALA 10 2HB ALA 10 3.907 -1.592 4.364
61 HB3 ALA 10 3HB ALA 10 2.714 -0.710 3.411
62 HA PRO 11 HA PRO 11 3.607 2.193 7.543
63 HB2 PRO 11 2HB PRO 11 5.880 1.474 8.817
64 HB3 PRO 11 1HB PRO 11 4.281 1.145 9.493
65 HG2 PRO 11 2HG PRO 11 6.181 -0.693 8.121
66 HG3 PRO 11 1HG PRO 11 5.065 -1.022 9.453
67 HD2 PRO 11 2HD PRO 11 4.624 -1.683 6.799
68 HD3 PRO 11 1HD PRO 11 3.368 -1.537 8.043
69 H VAL 12 H VAL 12 4.337 3.557 5.988
70 HA VAL 12 HA VAL 12 7.041 3.174 4.913
71 HB VAL 12 HB VAL 12 4.679 4.101 3.245
72 HG11 VAL 12 1HG1 VAL 12 7.483 3.393 2.414
73 HG12 VAL 12 2HG1 VAL 12 6.844 5.019 2.583
74 HG13 VAL 12 3HG1 VAL 12 6.187 3.939 1.347
75 HG21 VAL 12 1HG2 VAL 12 4.414 1.725 3.703
76 HG22 VAL 12 2HG2 VAL 12 6.064 1.432 3.156
77 HG23 VAL 12 3HG2 VAL 12 4.842 1.988 2.011
78 H TYR 13 H TYR 13 8.164 5.027 5.400
79 HA TYR 13 HA TYR 13 6.890 7.529 4.833
80 HB2 TYR 13 2HB TYR 13 6.431 7.141 7.295
81 HB3 TYR 13 1HB TYR 13 8.175 7.150 7.558
82 HD1 TYR 13 1HD TYR 13 5.310 9.202 6.460
83 HD2 TYR 13 2HD TYR 13 9.396 9.225 7.651
84 HE1 TYR 13 1HE TYR 13 5.251 11.642 6.570
85 HE2 TYR 13 2HE TYR 13 9.349 11.677 7.774
86 HH TYR 13 HH TYR 13 6.462 13.480 7.679
87 HA PRO 14 HA PRO 14 7.368 9.511 4.278
88 HB2 PRO 14 2HB PRO 14 8.150 10.426 1.813
89 HB3 PRO 14 1HB PRO 14 8.641 11.167 3.335
90 HG2 PRO 14 2HG PRO 14 10.170 9.340 1.548
91 HG3 PRO 14 1HG PRO 14 10.744 10.692 2.529
92 HD2 PRO 14 2HD PRO 14 11.039 8.060 3.223
93 HD3 PRO 14 1HD PRO 14 10.986 9.390 4.391
94 H CYS 15 H CYS 15 5.502 8.967 3.301
95 HA CYS 15 HA CYS 15 5.442 6.414 2.009
96 HB2 CYS 15 2HB CYS 15 3.849 7.261 3.815
97 HB3 CYS 15 1HB CYS 15 3.107 8.239 2.559
98 H LYS 16 H LYS 16 6.066 6.440 -0.070
99 HA LYS 16 HA LYS 16 4.766 8.294 -1.945
100 HB2 LYS 16 2HB LYS 16 7.347 8.055 -1.708
101 HB3 LYS 16 1HB LYS 16 7.131 6.500 -2.498
102 HG2 LYS 16 2HG LYS 16 7.744 8.026 -4.176
103 HG3 LYS 16 1HG LYS 16 6.004 7.776 -4.367
104 HD2 LYS 16 2HD LYS 16 5.622 9.804 -2.995
105 HD3 LYS 16 1HD LYS 16 7.358 10.065 -2.977
106 HE2 LYS 16 2HE LYS 16 6.441 11.461 -4.704
107 HE3 LYS 16 1HE LYS 16 7.328 10.145 -5.466
108 HZ1 LYS 16 1HZ LYS 16 5.210 10.500 -6.565
109 HZ2 LYS 16 2HZ LYS 16 4.399 10.317 -5.125
110 HZ3 LYS 16 3HZ LYS 16 5.157 8.995 -5.805
111 H GLU 17 H GLU 17 3.867 7.202 -3.926
112 HA GLU 17 HA GLU 17 2.595 4.761 -3.246
113 HB2 GLU 17 2HB GLU 17 1.497 4.819 -5.365
114 HB3 GLU 17 1HB GLU 17 1.516 6.441 -4.716
115 HG2 GLU 17 2HG GLU 17 3.364 5.409 -6.862
116 HG3 GLU 17 1HG GLU 17 1.865 6.306 -7.098
117 H LYS 18 H LYS 18 5.273 5.565 -5.347
118 HA LYS 18 HA LYS 18 5.666 2.934 -6.323
119 HB2 LYS 18 2HB LYS 18 7.663 5.171 -6.007
120 HB3 LYS 18 1HB LYS 18 7.966 3.681 -6.888
121 HG2 LYS 18 2HG LYS 18 6.161 4.240 -8.440
122 HG3 LYS 18 1HG LYS 18 5.883 5.745 -7.558
123 HD2 LYS 18 2HD LYS 18 8.166 6.449 -8.043
124 HD3 LYS 18 1HD LYS 18 8.447 4.949 -8.923
125 HE2 LYS 18 2HE LYS 18 6.691 5.557 -10.516
126 HE3 LYS 18 1HE LYS 18 6.404 7.050 -9.627
127 HZ1 LYS 18 1HZ LYS 18 7.818 7.397 -11.555
128 HZ2 LYS 18 2HZ LYS 18 8.961 6.319 -10.934
129 HZ3 LYS 18 3HZ LYS 18 8.628 7.755 -10.116
130 H ALA 19 H ALA 19 6.752 4.584 -3.459
131 HA ALA 19 HA ALA 19 8.567 2.628 -2.537
132 HB1 ALA 19 1HB ALA 19 8.310 3.712 -0.348
133 HB2 ALA 19 2HB ALA 19 6.912 4.600 -0.954
134 HB3 ALA 19 3HB ALA 19 8.512 4.911 -1.626
135 H CYS 20 H CYS 20 5.134 3.236 -1.917
136 HA CYS 20 HA CYS 20 4.673 1.050 -0.268
137 HB2 CYS 20 2HB CYS 20 2.918 2.679 -2.033
138 HB3 CYS 20 1HB CYS 20 2.287 1.271 -1.187
139 H LYS 21 H LYS 21 4.537 1.272 -3.781
140 HA LYS 21 HA LYS 21 3.538 -1.324 -4.167
141 HB2 LYS 21 2HB LYS 21 3.536 0.476 -5.890
142 HB3 LYS 21 1HB LYS 21 5.270 0.300 -6.040
143 HG2 LYS 21 2HG LYS 21 5.059 -1.880 -6.973
144 HG3 LYS 21 1HG LYS 21 3.341 -1.944 -6.588
145 HD2 LYS 21 2HD LYS 21 3.673 -1.503 -8.960
146 HD3 LYS 21 1HD LYS 21 2.918 -0.122 -8.177
147 HE2 LYS 21 2HE LYS 21 4.617 0.592 -9.750
148 HE3 LYS 21 1HE LYS 21 5.099 1.018 -8.109
149 HZ1 LYS 21 1HZ LYS 21 6.089 -1.326 -9.656
150 HZ2 LYS 21 2HZ LYS 21 6.569 -0.907 -8.102
151 HZ3 LYS 21 3HZ LYS 21 6.931 0.103 -9.386
152 H SER 22 H SER 22 6.596 -0.244 -3.208
153 HA SER 22 HA SER 22 7.955 -2.727 -3.817
154 HB2 SER 22 2HB SER 22 9.211 -0.636 -4.050
155 HB3 SER 22 1HB SER 22 8.812 -0.178 -2.401
156 HG SER 22 HG SER 22 10.145 -2.601 -2.801
157 H VAL 23 H VAL 23 7.116 -0.788 -0.937
158 HA VAL 23 HA VAL 23 7.933 -2.670 0.966
159 HB VAL 23 HB VAL 23 5.973 -0.381 1.300
160 HG11 VAL 23 1HG1 VAL 23 6.536 -0.512 3.707
161 HG12 VAL 23 2HG1 VAL 23 7.490 -1.956 3.380
162 HG13 VAL 23 3HG1 VAL 23 5.750 -1.978 3.123
163 HG21 VAL 23 1HG2 VAL 23 8.937 -0.557 1.810
164 HG22 VAL 23 2HG2 VAL 23 7.926 0.835 2.183
165 HG23 VAL 23 3HG2 VAL 23 8.162 0.338 0.507
166 H CYS 24 H CYS 24 4.758 -2.219 -0.534
167 HA CYS 24 HA CYS 24 3.455 -3.984 1.209
168 HB2 CYS 24 2HB CYS 24 2.741 -3.014 -1.543
169 HB3 CYS 24 1HB CYS 24 1.716 -4.119 -0.630
170 H LYS 25 H LYS 25 5.484 -4.593 -1.540
171 HA LYS 25 HA LYS 25 4.569 -7.331 -1.751
172 HB2 LYS 25 2HB LYS 25 6.884 -5.922 -3.088
173 HB3 LYS 25 1HB LYS 25 6.349 -7.554 -3.456
174 HG2 LYS 25 2HG LYS 25 4.157 -6.619 -4.146
175 HG3 LYS 25 1HG LYS 25 4.818 -5.002 -3.894
176 HD2 LYS 25 2HD LYS 25 6.576 -5.484 -5.523
177 HD3 LYS 25 1HD LYS 25 5.876 -7.078 -5.805
178 HE2 LYS 25 2HE LYS 25 3.775 -5.960 -6.518
179 HE3 LYS 25 1HE LYS 25 4.590 -4.405 -6.353
180 HZ1 LYS 25 1HZ LYS 25 4.666 -5.128 -8.642
181 HZ2 LYS 25 2HZ LYS 25 5.324 -6.606 -8.183
182 HZ3 LYS 25 3HZ LYS 25 6.227 -5.195 -7.991
183 H GLU 26 H GLU 26 6.815 -5.500 -0.002
184 HA GLU 26 HA GLU 26 8.673 -7.517 0.666
185 HB2 GLU 26 2HB GLU 26 9.213 -5.158 0.672
186 HB3 GLU 26 1HB GLU 26 7.899 -4.826 1.781
187 HG2 GLU 26 2HG GLU 26 9.898 -4.716 2.964
188 HG3 GLU 26 1HG GLU 26 9.033 -6.189 3.436
189 H HIS 27 H HIS 27 5.845 -5.982 2.107
190 HA HIS 27 HA HIS 27 5.923 -7.643 4.446
191 HB2 HIS 27 2HB HIS 27 4.034 -5.485 3.548
192 HB3 HIS 27 1HB HIS 27 3.681 -6.485 4.946
193 HD1 HIS 27 1HD HIS 27 4.357 -5.370 7.077
194 HD2 HIS 27 2HD HIS 27 6.752 -4.243 3.876
195 HE1 HIS 27 1HE HIS 27 6.050 -3.770 8.016
196 H TYR 28 H TYR 28 3.870 -7.478 1.536
197 HA TYR 28 HA TYR 28 2.501 -9.875 2.512
198 HB2 TYR 28 2HB TYR 28 1.400 -7.640 0.779
199 HB3 TYR 28 1HB TYR 28 0.495 -9.055 1.296
200 HD1 TYR 28 1HD TYR 28 1.850 -5.807 2.291
201 HD2 TYR 28 2HD TYR 28 -0.292 -9.231 3.644
202 HE1 TYR 28 1HE TYR 28 1.209 -4.592 4.312
203 HE2 TYR 28 2HE TYR 28 -0.951 -7.995 5.682
204 HH TYR 28 HH TYR 28 -0.426 -4.631 6.086
205 H HIS 29 H HIS 29 2.016 -11.435 0.929
206 HA HIS 29 HA HIS 29 3.919 -11.376 -1.274
207 HB2 HIS 29 2HB HIS 29 2.343 -13.671 -0.114
208 HB3 HIS 29 1HB HIS 29 3.350 -13.809 -1.544
209 HD1 HIS 29 1HD HIS 29 3.523 -13.897 2.132
210 HD2 HIS 29 2HD HIS 29 6.129 -13.353 -1.053
211 HE1 HIS 29 1HE HIS 29 5.836 -14.277 3.050
212 H HIS 30 H HIS 30 0.560 -11.124 -0.771
213 HA HIS 30 HA HIS 30 0.027 -11.656 -3.603
214 HB2 HIS 30 2HB HIS 30 -1.862 -11.300 -1.274
215 HB3 HIS 30 1HB HIS 30 -2.395 -11.436 -2.939
216 HD1 HIS 30 1HD HIS 30 -3.026 -13.753 -3.615
217 HD2 HIS 30 2HD HIS 30 -0.293 -13.698 -0.474
218 HE1 HIS 30 1HE HIS 30 -2.672 -16.164 -2.941
219 H ALA 31 H ALA 31 0.849 -9.116 -1.728
220 HA ALA 31 HA ALA 31 -0.950 -7.161 -2.827
221 HB1 ALA 31 1HB ALA 31 0.413 -5.506 -1.683
222 HB2 ALA 31 2HB ALA 31 1.611 -6.741 -1.292
223 HB3 ALA 31 3HB ALA 31 -0.010 -6.826 -0.596
224 H CYS 32 H CYS 32 -0.774 -6.238 -4.684
225 HA CYS 32 HA CYS 32 1.805 -6.352 -6.059
226 HB2 CYS 32 2HB CYS 32 0.292 -6.266 -8.150
227 HB3 CYS 32 1HB CYS 32 0.420 -7.780 -7.262
228 H LYS 33 H LYS 33 -0.412 -4.287 -4.647
229 HA LYS 33 HA LYS 33 0.736 -1.995 -6.018
230 HB2 LYS 33 2HB LYS 33 -1.388 -2.556 -7.197
231 HB3 LYS 33 1HB LYS 33 -2.223 -2.477 -5.659
232 HG2 LYS 33 2HG LYS 33 -1.722 -0.091 -5.507
233 HG3 LYS 33 1HG LYS 33 -0.875 -0.184 -7.052
234 HD2 LYS 33 2HD LYS 33 -2.950 -0.869 -8.157
235 HD3 LYS 33 1HD LYS 33 -3.802 -0.782 -6.611
236 HE2 LYS 33 2HE LYS 33 -3.271 1.591 -6.448
237 HE3 LYS 33 1HE LYS 33 -2.409 1.517 -7.977
238 HZ1 LYS 33 1HZ LYS 33 -5.316 1.017 -7.598
239 HZ2 LYS 33 2HZ LYS 33 -4.488 1.007 -9.087
240 HZ3 LYS 33 3HZ LYS 33 -4.624 2.427 -8.197
241 H GLY 34 H GLY 34 0.608 -0.116 -4.689
242 HA2 GLY 34 2HA GLY 34 -0.615 -0.323 -2.092
243 HA3 GLY 34 1HA GLY 34 1.145 -0.203 -2.108
244 H GLU 35 H GLU 35 -1.330 1.649 -1.524
245 HA GLU 35 HA GLU 35 -0.076 3.971 -2.791
246 HB2 GLU 35 2HB GLU 35 -3.065 3.540 -2.679
247 HB3 GLU 35 1HB GLU 35 -2.254 4.988 -3.247
248 HG2 GLU 35 2HG GLU 35 -1.189 3.619 -5.021
249 HG3 GLU 35 1HG GLU 35 -2.183 2.262 -4.499
250 H CYS 36 H CYS 36 -0.158 5.840 -1.619
251 HA CYS 36 HA CYS 36 -0.719 5.492 1.196
252 HB2 CYS 36 2HB CYS 36 0.445 7.832 -0.291
253 HB3 CYS 36 1HB CYS 36 0.455 7.584 1.447
254 H GLU 37 H GLU 37 -2.633 5.975 1.899
255 HA GLU 37 HA GLU 37 -4.190 8.060 0.548
256 HB2 GLU 37 2HB GLU 37 -5.138 5.471 1.794
257 HB3 GLU 37 1HB GLU 37 -6.197 6.736 1.187
258 HG2 GLU 37 2HG GLU 37 -4.171 5.316 -0.524
259 HG3 GLU 37 1HG GLU 37 -5.840 4.781 -0.365
260 H TYR 38 H TYR 38 -5.480 9.313 1.964
261 HA TYR 38 HA TYR 38 -4.158 9.553 4.540
262 HB2 TYR 38 2HB TYR 38 -5.864 11.475 2.978
263 HB3 TYR 38 1HB TYR 38 -5.264 11.799 4.600
264 HD1 TYR 38 1HD TYR 38 -3.019 12.458 4.964
265 HD2 TYR 38 2HD TYR 38 -4.252 11.244 1.082
266 HE1 TYR 38 1HE TYR 38 -0.923 13.304 4.040
267 HE2 TYR 38 2HE TYR 38 -2.165 12.073 0.145
268 HH TYR 38 HH TYR 38 -0.394 13.772 0.753
269 H HIS 39 H HIS 39 -5.184 9.565 6.445
270 HA HIS 39 HA HIS 39 -8.062 9.104 6.374
271 HB2 HIS 39 2HB HIS 39 -6.833 6.935 6.733
272 HB3 HIS 39 1HB HIS 39 -6.112 7.629 8.178
273 HD1 HIS 39 1HD HIS 39 -8.961 5.630 7.105
274 HD2 HIS 39 2HD HIS 39 -8.154 8.312 10.174
275 HE1 HIS 39 1HE HIS 39 -10.709 5.217 8.840
276 H GLY 40 H GLY 40 -8.383 11.234 6.905
277 HA2 GLY 40 2HA GLY 40 -8.942 12.818 8.482
278 HA3 GLY 40 1HA GLY 40 -8.159 11.826 9.703
279 H ARG 41 H ARG 41 -5.744 11.787 9.559
280 HA ARG 41 HA ARG 41 -4.748 14.472 8.845
281 HB2 ARG 41 2HB ARG 41 -3.981 12.891 11.313
282 HB3 ARG 41 1HB ARG 41 -3.310 14.444 10.843
283 HG2 ARG 41 2HG ARG 41 -5.511 15.479 11.129
284 HG3 ARG 41 1HG ARG 41 -6.175 13.911 11.589
285 HD2 ARG 41 2HD ARG 41 -4.575 13.849 13.489
286 HD3 ARG 41 1HD ARG 41 -4.052 15.473 13.050
287 HE ARG 41 HE ARG 41 -6.646 15.866 13.297
288 HH11 ARG 41 1HH1 ARG 41 -4.400 14.239 15.485
289 HH12 ARG 41 2HH1 ARG 41 -5.358 14.448 16.874
290 HH21 ARG 41 1HH2 ARG 41 -7.951 16.196 15.186
291 HH22 ARG 41 2HH2 ARG 41 -7.463 15.571 16.691
292 H GLU 42 H GLU 42 -3.625 11.259 9.850
293 HA GLU 42 HA GLU 42 -1.138 11.610 8.468
294 HB2 GLU 42 2HB GLU 42 -2.255 9.341 10.101
295 HB3 GLU 42 1HB GLU 42 -0.670 9.323 9.350
296 HG2 GLU 42 2HG GLU 42 -1.588 11.353 11.373
297 HG3 GLU 42 1HG GLU 42 -0.581 9.946 11.725
298 H VAL 43 H VAL 43 -0.294 10.064 7.014
299 HA VAL 43 HA VAL 43 -2.364 9.066 5.237
300 HB VAL 43 HB VAL 43 -0.729 10.730 4.303
301 HG11 VAL 43 1HG1 VAL 43 1.523 10.011 3.717
302 HG12 VAL 43 2HG1 VAL 43 1.282 8.547 4.670
303 HG13 VAL 43 3HG1 VAL 43 1.279 10.130 5.463
304 HG21 VAL 43 1HG2 VAL 43 -0.715 8.005 3.062
305 HG22 VAL 43 2HG2 VAL 43 -0.245 9.497 2.238
306 HG23 VAL 43 3HG2 VAL 43 -1.901 9.284 2.806
307 H HIS 44 H HIS 44 -2.466 6.953 4.754
308 HA HIS 44 HA HIS 44 -0.494 5.238 6.037
309 HB2 HIS 44 2HB HIS 44 -3.497 4.932 5.984
310 HB3 HIS 44 1HB HIS 44 -2.433 3.563 6.276
311 HD1 HIS 44 1HD HIS 44 -2.096 3.109 8.726
312 HD2 HIS 44 2HD HIS 44 -2.799 7.132 7.927
313 HE1 HIS 44 1HE HIS 44 -2.095 4.272 10.959
314 H CYS 45 H CYS 45 0.170 3.549 4.961
315 HA CYS 45 HA CYS 45 -0.238 3.636 2.092
316 HB2 CYS 45 2HB CYS 45 2.040 3.566 2.934
317 HB3 CYS 45 1HB CYS 45 1.684 2.103 3.841
318 H HIS 46 H HIS 46 -1.774 2.417 1.251
319 HA HIS 46 HA HIS 46 -2.671 0.081 2.743
320 HB2 HIS 46 2HB HIS 46 -4.049 1.720 0.607
321 HB3 HIS 46 1HB HIS 46 -4.737 0.294 1.369
322 HD1 HIS 46 1HD HIS 46 -5.984 3.260 1.549
323 HD2 HIS 46 2HD HIS 46 -3.707 1.345 4.463
324 HE1 HIS 46 1HE HIS 46 -6.572 4.345 3.711
325 H CYS 47 H CYS 47 -2.290 -1.871 1.979
326 HA CYS 47 HA CYS 47 -0.998 -2.118 -0.603
327 HB2 CYS 47 2HB CYS 47 -1.347 -4.159 1.602
328 HB3 CYS 47 1HB CYS 47 -0.324 -4.295 0.183
329 H TYR 48 H TYR 48 -1.968 -2.943 -2.265
330 HA TYR 48 HA TYR 48 -4.568 -4.247 -1.895
331 HB2 TYR 48 2HB TYR 48 -3.598 -2.677 -4.290
332 HB3 TYR 48 1HB TYR 48 -5.191 -3.384 -4.083
333 HD1 TYR 48 1HD TYR 48 -3.059 -0.549 -3.443
334 HD2 TYR 48 2HD TYR 48 -6.735 -2.395 -2.359
335 HE1 TYR 48 1HE TYR 48 -3.820 1.557 -2.484
336 HE2 TYR 48 2HE TYR 48 -7.509 -0.288 -1.392
337 HH TYR 48 HH TYR 48 -6.597 1.777 -0.520
338 H GLY 49 H GLY 49 -4.920 -6.073 -3.100
339 HA2 GLY 49 2HA GLY 49 -3.133 -6.995 -5.117
340 HA3 GLY 49 1HA GLY 49 -2.857 -7.805 -3.582
341 H ASP 50 H ASP 50 -3.552 -9.761 -4.316
342 HA ASP 50 HA ASP 50 -6.417 -9.890 -4.864
343 HB2 ASP 50 2HB ASP 50 -6.052 -12.098 -5.872
344 HB3 ASP 50 1HB ASP 50 -5.079 -10.883 -6.678
345 H TYR 51 H TYR 51 -7.687 -11.019 -3.587
346 HA TYR 51 HA TYR 51 -6.476 -11.987 -1.127
347 HB2 TYR 51 2HB TYR 51 -8.330 -10.314 -0.992
348 HB3 TYR 51 1HB TYR 51 -9.391 -11.467 -1.790
349 HD1 TYR 51 1HD TYR 51 -10.333 -13.323 -0.567
350 HD2 TYR 51 2HD TYR 51 -7.567 -10.697 1.311
351 HE1 TYR 51 1HE TYR 51 -10.936 -14.258 1.609
352 HE2 TYR 51 2HE TYR 51 -8.158 -11.625 3.497
353 HH TYR 51 HH TYR 51 -9.983 -14.481 3.852
354 H HIS 52 H HIS 52 -5.976 -14.042 -1.240
355 HA HIS 52 HA HIS 52 -7.859 -15.894 -2.502
356 HB2 HIS 52 2HB HIS 52 -5.725 -15.382 -3.855
357 HB3 HIS 52 1HB HIS 52 -4.849 -16.168 -2.555
358 HD1 HIS 52 1HD HIS 52 -5.742 -16.957 -5.772
359 HD2 HIS 52 2HD HIS 52 -6.396 -18.892 -2.163
360 HE1 HIS 52 1HE HIS 52 -6.147 -19.371 -6.353
Start of MODEL 12
1 H1 ALA 1 H ALA 1 -5.862 -11.888 -11.436
2 HA ALA 1 HA ALA 1 -4.018 -10.347 -11.574
3 HB1 ALA 1 1HB ALA 1 -5.774 -9.934 -13.984
4 HB2 ALA 1 2HB ALA 1 -4.640 -11.267 -13.750
5 HB3 ALA 1 3HB ALA 1 -4.044 -9.616 -13.902
6 H HIS 2 H HIS 2 -6.510 -8.996 -10.219
7 HA HIS 2 HA HIS 2 -5.718 -6.285 -10.943
8 HB2 HIS 2 2HB HIS 2 -8.501 -7.244 -10.250
9 HB3 HIS 2 1HB HIS 2 -8.035 -5.550 -10.278
10 HD1 HIS 2 1HD HIS 2 -9.347 -8.181 -12.406
11 HD2 HIS 2 2HD HIS 2 -7.162 -4.689 -12.939
12 HE1 HIS 2 1HE HIS 2 -9.561 -7.604 -14.837
13 H CYS 3 H CYS 3 -4.984 -5.134 -9.351
14 HA CYS 3 HA CYS 3 -4.891 -6.321 -6.724
15 HB2 CYS 3 2HB CYS 3 -3.796 -3.661 -7.611
16 HB3 CYS 3 1HB CYS 3 -3.291 -4.637 -6.234
17 H ASP 4 H ASP 4 -7.051 -6.140 -6.173
18 HA ASP 4 HA ASP 4 -7.962 -3.383 -5.636
19 HB2 ASP 4 2HB ASP 4 -9.284 -4.227 -7.447
20 HB3 ASP 4 1HB ASP 4 -9.601 -5.729 -6.592
21 H HIS 5 H HIS 5 -7.435 -6.500 -4.347
22 HA HIS 5 HA HIS 5 -9.254 -6.269 -2.154
23 HB2 HIS 5 2HB HIS 5 -6.945 -8.132 -2.677
24 HB3 HIS 5 1HB HIS 5 -7.900 -8.187 -1.205
25 HD1 HIS 5 1HD HIS 5 -7.931 -9.277 -4.781
26 HD2 HIS 5 2HD HIS 5 -10.568 -9.027 -1.564
27 HE1 HIS 5 1HE HIS 5 -9.856 -10.742 -5.354
28 H PHE 6 H PHE 6 -8.995 -4.927 -0.540
29 HA PHE 6 HA PHE 6 -6.525 -3.744 0.199
30 HB2 PHE 6 2HB PHE 6 -9.175 -3.990 1.650
31 HB3 PHE 6 1HB PHE 6 -7.793 -3.168 2.352
32 HD1 PHE 6 1HD PHE 6 -10.225 -3.062 -0.454
33 HD2 PHE 6 2HD PHE 6 -7.289 -0.949 1.775
34 HE1 PHE 6 1HE PHE 6 -10.924 -0.954 -1.512
35 HE2 PHE 6 2HE PHE 6 -7.983 1.140 0.713
36 HZ PHE 6 HZ PHE 6 -9.811 1.136 -0.939
37 H LEU 7 H LEU 7 -4.916 -4.895 0.955
38 HA LEU 7 HA LEU 7 -5.372 -7.397 2.305
39 HB2 LEU 7 2HB LEU 7 -2.792 -5.944 1.777
40 HB3 LEU 7 1HB LEU 7 -2.941 -7.592 2.344
41 HG LEU 7 HG LEU 7 -3.771 -6.551 -0.362
42 HD11 LEU 7 1HD1 LEU 7 -1.576 -8.409 0.490
43 HD12 LEU 7 2HD1 LEU 7 -1.387 -6.748 -0.072
44 HD13 LEU 7 3HD1 LEU 7 -1.983 -7.989 -1.172
45 HD21 LEU 7 1HD2 LEU 7 -3.932 -9.342 0.773
46 HD22 LEU 7 2HD2 LEU 7 -4.226 -8.900 -0.906
47 HD23 LEU 7 3HD2 LEU 7 -5.299 -8.305 0.359
48 H GLY 8 H GLY 8 -4.131 -4.205 3.116
49 HA2 GLY 8 2HA GLY 8 -4.994 -4.233 5.741
50 HA3 GLY 8 1HA GLY 8 -3.353 -4.841 5.716
51 H GLU 9 H GLU 9 -3.185 -2.816 7.040
52 HA GLU 9 HA GLU 9 -2.650 -0.489 5.329
53 HB2 GLU 9 2HB GLU 9 -3.160 -0.652 8.300
54 HB3 GLU 9 1HB GLU 9 -2.680 0.801 7.447
55 HG2 GLU 9 2HG GLU 9 -4.756 0.720 6.166
56 HG3 GLU 9 1HG GLU 9 -5.229 -0.732 7.047
57 H ALA 10 H ALA 10 -0.570 -0.265 4.913
58 HA ALA 10 HA ALA 10 1.324 -1.040 7.004
59 HB1 ALA 10 1HB ALA 10 1.643 -2.325 4.943
60 HB2 ALA 10 2HB ALA 10 3.008 -1.263 5.305
61 HB3 ALA 10 3HB ALA 10 1.857 -0.811 4.041
62 HA PRO 11 HA PRO 11 2.032 3.336 7.151
63 HB2 PRO 11 2HB PRO 11 3.991 3.290 9.023
64 HB3 PRO 11 1HB PRO 11 2.290 3.058 9.436
65 HG2 PRO 11 2HG PRO 11 4.456 1.031 9.119
66 HG3 PRO 11 1HG PRO 11 3.133 1.077 10.299
67 HD2 PRO 11 2HD PRO 11 3.180 -0.474 8.040
68 HD3 PRO 11 1HD PRO 11 1.690 0.041 8.845
69 H VAL 12 H VAL 12 3.033 4.136 5.373
70 HA VAL 12 HA VAL 12 5.846 3.422 4.997
71 HB VAL 12 HB VAL 12 3.839 4.121 2.830
72 HG11 VAL 12 1HG1 VAL 12 5.665 3.634 1.252
73 HG12 VAL 12 2HG1 VAL 12 6.752 3.344 2.606
74 HG13 VAL 12 3HG1 VAL 12 6.092 4.954 2.338
75 HG21 VAL 12 1HG2 VAL 12 3.511 1.863 3.703
76 HG22 VAL 12 2HG2 VAL 12 5.224 1.519 3.444
77 HG23 VAL 12 3HG2 VAL 12 4.170 1.814 2.066
78 H TYR 13 H TYR 13 7.158 5.049 5.241
79 HA TYR 13 HA TYR 13 6.310 7.669 4.381
80 HB2 TYR 13 2HB TYR 13 5.860 7.449 6.870
81 HB3 TYR 13 1HB TYR 13 7.586 7.198 7.087
82 HD1 TYR 13 1HD TYR 13 5.058 9.640 5.919
83 HD2 TYR 13 2HD TYR 13 9.063 9.045 7.220
84 HE1 TYR 13 1HE TYR 13 5.361 12.065 6.063
85 HE2 TYR 13 2HE TYR 13 9.381 11.465 7.367
86 HH TYR 13 HH TYR 13 8.460 13.483 6.512
87 HA PRO 14 HA PRO 14 7.207 9.545 3.872
88 HB2 PRO 14 2HB PRO 14 8.200 10.532 1.591
89 HB3 PRO 14 1HB PRO 14 9.017 10.806 3.138
90 HG2 PRO 14 2HG PRO 14 9.613 8.754 1.037
91 HG3 PRO 14 1HG PRO 14 10.733 9.856 1.859
92 HD2 PRO 14 2HD PRO 14 10.412 7.284 2.635
93 HD3 PRO 14 1HD PRO 14 10.761 8.582 3.794
94 H CYS 15 H CYS 15 5.703 10.082 2.081
95 HA CYS 15 HA CYS 15 4.750 7.671 0.871
96 HB2 CYS 15 2HB CYS 15 3.034 9.050 1.739
97 HB3 CYS 15 1HB CYS 15 3.677 10.476 0.928
98 H LYS 16 H LYS 16 5.527 6.966 -0.855
99 HA LYS 16 HA LYS 16 5.728 8.640 -3.206
100 HB2 LYS 16 2HB LYS 16 7.954 7.986 -1.871
101 HB3 LYS 16 1HB LYS 16 7.736 6.474 -2.742
102 HG2 LYS 16 2HG LYS 16 9.248 7.865 -3.960
103 HG3 LYS 16 1HG LYS 16 7.725 7.809 -4.854
104 HD2 LYS 16 2HD LYS 16 7.061 9.935 -3.934
105 HD3 LYS 16 1HD LYS 16 8.488 9.975 -2.910
106 HE2 LYS 16 2HE LYS 16 9.907 10.040 -4.926
107 HE3 LYS 16 1HE LYS 16 8.457 10.052 -5.928
108 HZ1 LYS 16 1HZ LYS 16 9.386 12.279 -5.578
109 HZ2 LYS 16 2HZ LYS 16 9.138 12.138 -3.923
110 HZ3 LYS 16 3HZ LYS 16 7.824 12.150 -4.974
111 H GLU 17 H GLU 17 4.925 7.404 -4.884
112 HA GLU 17 HA GLU 17 3.199 5.266 -4.208
113 HB2 GLU 17 2HB GLU 17 4.237 6.031 -6.940
114 HB3 GLU 17 1HB GLU 17 2.921 4.912 -6.639
115 HG2 GLU 17 2HG GLU 17 1.639 6.684 -5.602
116 HG3 GLU 17 1HG GLU 17 2.952 7.821 -5.905
117 H LYS 18 H LYS 18 6.292 5.338 -5.780
118 HA LYS 18 HA LYS 18 6.549 2.576 -6.229
119 HB2 LYS 18 2HB LYS 18 7.963 4.311 -7.300
120 HB3 LYS 18 1HB LYS 18 8.780 4.558 -5.764
121 HG2 LYS 18 2HG LYS 18 9.578 2.257 -5.805
122 HG3 LYS 18 1HG LYS 18 8.738 1.990 -7.332
123 HD2 LYS 18 2HD LYS 18 10.116 3.769 -8.354
124 HD3 LYS 18 1HD LYS 18 10.994 3.925 -6.829
125 HE2 LYS 18 2HE LYS 18 11.675 1.576 -6.995
126 HE3 LYS 18 1HE LYS 18 10.788 1.447 -8.511
127 HZ1 LYS 18 1HZ LYS 18 13.137 1.766 -8.882
128 HZ2 LYS 18 2HZ LYS 18 13.118 3.217 -8.029
129 HZ3 LYS 18 3HZ LYS 18 12.270 3.082 -9.480
130 H ALA 19 H ALA 19 7.539 4.582 -3.487
131 HA ALA 19 HA ALA 19 8.800 2.526 -1.997
132 HB1 ALA 19 1HB ALA 19 7.469 5.037 -0.974
133 HB2 ALA 19 2HB ALA 19 9.161 4.910 -1.468
134 HB3 ALA 19 3HB ALA 19 8.572 4.012 -0.067
135 H CYS 20 H CYS 20 5.583 3.909 -1.874
136 HA CYS 20 HA CYS 20 4.492 2.428 0.193
137 HB2 CYS 20 2HB CYS 20 3.483 4.437 -0.795
138 HB3 CYS 20 1HB CYS 20 3.190 3.564 -2.289
139 H LYS 21 H LYS 21 4.305 1.794 -3.294
140 HA LYS 21 HA LYS 21 2.975 -0.662 -3.130
141 HB2 LYS 21 2HB LYS 21 3.001 0.672 -5.139
142 HB3 LYS 21 1HB LYS 21 4.744 0.562 -5.243
143 HG2 LYS 21 2HG LYS 21 4.576 -1.802 -5.713
144 HG3 LYS 21 1HG LYS 21 2.814 -1.720 -5.601
145 HD2 LYS 21 2HD LYS 21 2.710 -0.257 -7.489
146 HD3 LYS 21 1HD LYS 21 4.462 -0.082 -7.519
147 HE2 LYS 21 2HE LYS 21 2.973 -2.662 -7.988
148 HE3 LYS 21 1HE LYS 21 3.588 -1.615 -9.262
149 HZ1 LYS 21 1HZ LYS 21 5.856 -1.991 -8.363
150 HZ2 LYS 21 2HZ LYS 21 5.122 -3.402 -8.878
151 HZ3 LYS 21 3HZ LYS 21 5.230 -3.083 -7.245
152 H SER 22 H SER 22 6.370 0.140 -2.828
153 HA SER 22 HA SER 22 7.275 -2.556 -3.194
154 HB2 SER 22 2HB SER 22 8.653 -0.575 -3.834
155 HB3 SER 22 1HB SER 22 8.769 -0.142 -2.133
156 HG SER 22 HG SER 22 9.812 -2.400 -3.463
157 H VAL 23 H VAL 23 6.867 -0.350 -0.417
158 HA VAL 23 HA VAL 23 7.772 -2.194 1.519
159 HB VAL 23 HB VAL 23 5.932 0.207 1.850
160 HG11 VAL 23 1HG1 VAL 23 5.678 -1.279 3.758
161 HG12 VAL 23 2HG1 VAL 23 6.611 0.143 4.242
162 HG13 VAL 23 3HG1 VAL 23 7.426 -1.388 3.931
163 HG21 VAL 23 1HG2 VAL 23 8.121 0.795 0.975
164 HG22 VAL 23 2HG2 VAL 23 8.902 -0.092 2.284
165 HG23 VAL 23 3HG2 VAL 23 7.953 1.352 2.640
166 H CYS 24 H CYS 24 4.649 -1.610 0.055
167 HA CYS 24 HA CYS 24 3.124 -3.292 1.642
168 HB2 CYS 24 2HB CYS 24 2.885 -2.540 -1.257
169 HB3 CYS 24 1HB CYS 24 1.756 -3.660 -0.501
170 H LYS 25 H LYS 25 5.517 -4.124 -0.766
171 HA LYS 25 HA LYS 25 4.708 -6.895 -0.728
172 HB2 LYS 25 2HB LYS 25 6.905 -5.445 -2.155
173 HB3 LYS 25 1HB LYS 25 6.885 -7.197 -2.058
174 HG2 LYS 25 2HG LYS 25 4.619 -7.144 -3.095
175 HG3 LYS 25 1HG LYS 25 4.847 -5.409 -3.342
176 HD2 LYS 25 2HD LYS 25 6.770 -5.799 -4.727
177 HD3 LYS 25 1HD LYS 25 6.759 -7.507 -4.328
178 HE2 LYS 25 2HE LYS 25 4.566 -6.085 -5.823
179 HE3 LYS 25 1HE LYS 25 5.843 -7.039 -6.574
180 HZ1 LYS 25 1HZ LYS 25 3.710 -8.004 -4.751
181 HZ2 LYS 25 2HZ LYS 25 5.048 -8.936 -5.209
182 HZ3 LYS 25 3HZ LYS 25 3.959 -8.432 -6.369
183 H GLU 26 H GLU 26 6.593 -4.917 1.200
184 HA GLU 26 HA GLU 26 8.268 -7.115 2.066
185 HB2 GLU 26 2HB GLU 26 7.959 -4.370 3.299
186 HB3 GLU 26 1HB GLU 26 9.198 -5.551 3.697
187 HG2 GLU 26 2HG GLU 26 8.869 -4.020 1.135
188 HG3 GLU 26 1HG GLU 26 10.187 -3.910 2.300
189 H HIS 27 H HIS 27 5.422 -5.418 2.943
190 HA HIS 27 HA HIS 27 5.107 -6.897 5.407
191 HB2 HIS 27 2HB HIS 27 3.359 -4.868 4.039
192 HB3 HIS 27 1HB HIS 27 2.829 -5.758 5.458
193 HD1 HIS 27 1HD HIS 27 3.376 -4.693 7.639
194 HD2 HIS 27 2HD HIS 27 5.796 -3.331 4.557
195 HE1 HIS 27 1HE HIS 27 4.775 -2.851 8.623
196 H TYR 28 H TYR 28 3.597 -6.912 2.181
197 HA TYR 28 HA TYR 28 2.239 -9.374 2.991
198 HB2 TYR 28 2HB TYR 28 1.198 -7.315 1.033
199 HB3 TYR 28 1HB TYR 28 0.350 -8.744 1.606
200 HD1 TYR 28 1HD TYR 28 -0.536 -8.790 3.957
201 HD2 TYR 28 2HD TYR 28 1.246 -5.303 2.292
202 HE1 TYR 28 1HE TYR 28 -1.509 -7.408 5.766
203 HE2 TYR 28 2HE TYR 28 0.283 -3.945 4.096
204 HH TYR 28 HH TYR 28 -0.975 -5.270 6.880
205 H HIS 29 H HIS 29 1.810 -10.790 1.138
206 HA HIS 29 HA HIS 29 4.014 -10.654 -0.779
207 HB2 HIS 29 2HB HIS 29 2.247 -12.946 0.053
208 HB3 HIS 29 1HB HIS 29 3.348 -13.030 -1.315
209 HD1 HIS 29 1HD HIS 29 5.776 -13.561 -0.803
210 HD2 HIS 29 2HD HIS 29 3.527 -12.657 2.566
211 HE1 HIS 29 1HE HIS 29 7.238 -14.092 1.171
212 H HIS 30 H HIS 30 0.528 -10.922 -0.638
213 HA HIS 30 HA HIS 30 0.228 -11.197 -3.483
214 HB2 HIS 30 2HB HIS 30 -1.779 -10.690 -1.289
215 HB3 HIS 30 1HB HIS 30 -2.226 -10.772 -2.985
216 HD1 HIS 30 1HD HIS 30 -2.844 -13.036 -3.805
217 HD2 HIS 30 2HD HIS 30 -0.544 -13.174 -0.354
218 HE1 HIS 30 1HE HIS 30 -2.788 -15.462 -3.106
219 H ALA 31 H ALA 31 1.129 -8.647 -1.732
220 HA ALA 31 HA ALA 31 -0.555 -6.601 -2.782
221 HB1 ALA 31 1HB ALA 31 2.158 -6.368 -1.501
222 HB2 ALA 31 2HB ALA 31 0.602 -6.281 -0.668
223 HB3 ALA 31 3HB ALA 31 1.049 -5.044 -1.843
224 H CYS 32 H CYS 32 -0.584 -6.141 -4.804
225 HA CYS 32 HA CYS 32 1.942 -6.024 -6.283
226 HB2 CYS 32 2HB CYS 32 0.373 -6.290 -8.295
227 HB3 CYS 32 1HB CYS 32 0.630 -7.708 -7.284
228 H LYS 33 H LYS 33 -0.288 -4.158 -4.778
229 HA LYS 33 HA LYS 33 0.559 -1.761 -6.148
230 HB2 LYS 33 2HB LYS 33 -1.372 -2.413 -7.485
231 HB3 LYS 33 1HB LYS 33 -2.332 -2.667 -6.052
232 HG2 LYS 33 2HG LYS 33 -2.278 -0.236 -5.619
233 HG3 LYS 33 1HG LYS 33 -1.324 -0.021 -7.092
234 HD2 LYS 33 2HD LYS 33 -3.102 -0.881 -8.452
235 HD3 LYS 33 1HD LYS 33 -4.037 -1.330 -7.030
236 HE2 LYS 33 2HE LYS 33 -4.913 0.693 -8.050
237 HE3 LYS 33 1HE LYS 33 -4.281 1.023 -6.442
238 HZ1 LYS 33 1HZ LYS 33 -2.782 1.574 -8.960
239 HZ2 LYS 33 2HZ LYS 33 -2.380 2.109 -7.387
240 HZ3 LYS 33 3HZ LYS 33 -3.733 2.681 -8.150
241 H GLY 34 H GLY 34 0.246 0.070 -4.786
242 HA2 GLY 34 2HA GLY 34 -1.049 -0.304 -2.234
243 HA3 GLY 34 1HA GLY 34 0.704 -0.095 -2.168
244 H GLU 35 H GLU 35 -1.893 1.598 -1.603
245 HA GLU 35 HA GLU 35 -0.841 3.978 -2.996
246 HB2 GLU 35 2HB GLU 35 -3.736 3.362 -2.409
247 HB3 GLU 35 1HB GLU 35 -3.133 4.875 -3.056
248 HG2 GLU 35 2HG GLU 35 -2.946 2.193 -4.417
249 HG3 GLU 35 1HG GLU 35 -4.105 3.463 -4.796
250 H CYS 36 H CYS 36 -0.661 5.849 -1.854
251 HA CYS 36 HA CYS 36 -0.567 5.731 0.990
252 HB2 CYS 36 2HB CYS 36 -0.447 8.090 -0.889
253 HB3 CYS 36 1HB CYS 36 -0.158 8.180 0.836
254 H GLU 37 H GLU 37 -2.287 5.830 2.252
255 HA GLU 37 HA GLU 37 -4.699 7.173 1.303
256 HB2 GLU 37 2HB GLU 37 -4.240 5.134 3.481
257 HB3 GLU 37 1HB GLU 37 -5.796 5.840 3.063
258 HG2 GLU 37 2HG GLU 37 -4.152 4.376 1.044
259 HG3 GLU 37 1HG GLU 37 -5.227 3.528 2.151
260 H TYR 38 H TYR 38 -4.625 9.183 1.958
261 HA TYR 38 HA TYR 38 -3.268 9.872 4.392
262 HB2 TYR 38 2HB TYR 38 -4.529 11.506 2.202
263 HB3 TYR 38 1HB TYR 38 -3.938 12.216 3.697
264 HD1 TYR 38 1HD TYR 38 -1.605 12.413 4.117
265 HD2 TYR 38 2HD TYR 38 -2.965 10.619 0.518
266 HE1 TYR 38 1HE TYR 38 0.619 12.658 3.187
267 HE2 TYR 38 2HE TYR 38 -0.707 10.851 -0.438
268 HH TYR 38 HH TYR 38 1.985 11.663 1.503
269 H HIS 39 H HIS 39 -4.244 10.045 6.227
270 HA HIS 39 HA HIS 39 -6.972 10.987 6.303
271 HB2 HIS 39 2HB HIS 39 -7.056 8.460 6.419
272 HB3 HIS 39 1HB HIS 39 -6.106 8.558 7.900
273 HD1 HIS 39 1HD HIS 39 -7.374 9.306 10.070
274 HD2 HIS 39 2HD HIS 39 -9.692 9.309 6.622
275 HE1 HIS 39 1HE HIS 39 -9.726 9.641 10.828
276 H GLY 40 H GLY 40 -6.123 12.853 6.998
277 HA2 GLY 40 2HA GLY 40 -5.624 14.375 8.611
278 HA3 GLY 40 1HA GLY 40 -5.722 13.079 9.798
279 H ARG 41 H ARG 41 -3.930 12.577 10.762
280 HA ARG 41 HA ARG 41 -1.457 13.804 9.944
281 HB2 ARG 41 2HB ARG 41 -2.035 13.896 12.267
282 HB3 ARG 41 1HB ARG 41 -2.251 12.161 12.338
283 HG2 ARG 41 2HG ARG 41 -0.196 12.832 13.433
284 HG3 ARG 41 1HG ARG 41 0.142 11.837 12.022
285 HD2 ARG 41 2HD ARG 41 0.715 13.836 10.744
286 HD3 ARG 41 1HD ARG 41 0.333 14.851 12.140
287 HE ARG 41 HE ARG 41 2.165 13.022 13.029
288 HH11 ARG 41 1HH1 ARG 41 2.188 15.500 10.504
289 HH12 ARG 41 2HH1 ARG 41 3.856 15.841 10.669
290 HH21 ARG 41 1HH2 ARG 41 4.481 13.505 13.235
291 HH22 ARG 41 2HH2 ARG 41 5.185 14.662 12.236
292 H GLU 42 H GLU 42 -2.608 10.495 10.502
293 HA GLU 42 HA GLU 42 -0.040 9.481 9.651
294 HB2 GLU 42 2HB GLU 42 -2.450 8.090 10.790
295 HB3 GLU 42 1HB GLU 42 -0.957 7.288 10.338
296 HG2 GLU 42 2HG GLU 42 -1.197 9.449 12.418
297 HG3 GLU 42 1HG GLU 42 -1.111 7.717 12.739
298 H VAL 43 H VAL 43 0.324 9.162 7.617
299 HA VAL 43 HA VAL 43 -1.842 8.318 5.884
300 HB VAL 43 HB VAL 43 -0.381 10.114 4.984
301 HG11 VAL 43 1HG1 VAL 43 1.711 9.564 6.105
302 HG12 VAL 43 2HG1 VAL 43 1.933 9.669 4.349
303 HG13 VAL 43 3HG1 VAL 43 1.824 8.092 5.132
304 HG21 VAL 43 1HG2 VAL 43 0.171 9.112 2.819
305 HG22 VAL 43 2HG2 VAL 43 -1.418 8.601 3.392
306 HG23 VAL 43 3HG2 VAL 43 -0.041 7.506 3.513
307 H HIS 44 H HIS 44 -2.137 6.284 5.429
308 HA HIS 44 HA HIS 44 0.065 4.422 5.922
309 HB2 HIS 44 2HB HIS 44 -2.896 4.007 6.406
310 HB3 HIS 44 1HB HIS 44 -1.685 2.732 6.488
311 HD1 HIS 44 1HD HIS 44 -3.439 4.987 8.633
312 HD2 HIS 44 2HD HIS 44 0.407 3.498 8.432
313 HE1 HIS 44 1HE HIS 44 -2.473 5.280 10.954
314 H CYS 45 H CYS 45 0.137 2.645 4.496
315 HA CYS 45 HA CYS 45 -1.073 3.292 1.964
316 HB2 CYS 45 2HB CYS 45 1.219 1.566 2.788
317 HB3 CYS 45 1HB CYS 45 0.457 1.378 1.213
318 H HIS 46 H HIS 46 -2.858 2.381 1.453
319 HA HIS 46 HA HIS 46 -3.502 -0.176 2.589
320 HB2 HIS 46 2HB HIS 46 -5.024 1.706 0.797
321 HB3 HIS 46 1HB HIS 46 -5.501 0.020 0.895
322 HD1 HIS 46 1HD HIS 46 -6.989 2.805 2.049
323 HD2 HIS 46 2HD HIS 46 -5.254 -0.342 4.151
324 HE1 HIS 46 1HE HIS 46 -8.165 2.718 4.259
325 H CYS 47 H CYS 47 -2.580 -1.768 1.884
326 HA CYS 47 HA CYS 47 -1.377 -1.825 -0.711
327 HB2 CYS 47 2HB CYS 47 -1.458 -3.910 1.465
328 HB3 CYS 47 1HB CYS 47 -0.381 -3.894 0.068
329 H TYR 48 H TYR 48 -2.287 -2.629 -2.410
330 HA TYR 48 HA TYR 48 -4.793 -4.092 -2.153
331 HB2 TYR 48 2HB TYR 48 -3.532 -2.661 -4.484
332 HB3 TYR 48 1HB TYR 48 -5.037 -3.561 -4.572
333 HD1 TYR 48 1HD TYR 48 -7.005 -2.714 -3.223
334 HD2 TYR 48 2HD TYR 48 -3.466 -0.433 -3.802
335 HE1 TYR 48 1HE TYR 48 -8.237 -0.691 -2.671
336 HE2 TYR 48 2HE TYR 48 -4.695 1.615 -3.235
337 HH TYR 48 HH TYR 48 -7.671 1.641 -1.769
338 H GLY 49 H GLY 49 -4.893 -6.115 -2.773
339 HA2 GLY 49 2HA GLY 49 -2.630 -7.171 -4.279
340 HA3 GLY 49 1HA GLY 49 -3.220 -8.015 -2.865
341 H ASP 50 H ASP 50 -3.192 -9.553 -4.816
342 HA ASP 50 HA ASP 50 -5.876 -9.626 -5.975
343 HB2 ASP 50 2HB ASP 50 -4.383 -8.831 -7.703
344 HB3 ASP 50 1HB ASP 50 -3.234 -10.113 -7.355
345 H TYR 51 H TYR 51 -6.750 -11.715 -6.144
346 HA TYR 51 HA TYR 51 -5.141 -13.869 -4.951
347 HB2 TYR 51 2HB TYR 51 -7.961 -13.089 -4.252
348 HB3 TYR 51 1HB TYR 51 -7.305 -14.674 -3.896
349 HD1 TYR 51 1HD TYR 51 -7.326 -11.141 -2.965
350 HD2 TYR 51 2HD TYR 51 -5.584 -14.937 -2.194
351 HE1 TYR 51 1HE TYR 51 -6.484 -10.315 -0.816
352 HE2 TYR 51 2HE TYR 51 -4.735 -14.130 -0.048
353 HH TYR 51 HH TYR 51 -5.821 -11.253 1.346
354 H HIS 52 H HIS 52 -4.871 -15.244 -6.558
355 HA HIS 52 HA HIS 52 -7.243 -16.413 -7.728
356 HB2 HIS 52 2HB HIS 52 -4.914 -15.355 -9.319
357 HB3 HIS 52 1HB HIS 52 -5.895 -16.684 -9.918
358 HD1 HIS 52 1HD HIS 52 -8.263 -16.117 -10.738
359 HD2 HIS 52 2HD HIS 52 -6.130 -12.861 -9.315
360 HE1 HIS 52 1HE HIS 52 -9.530 -14.071 -11.507
Start of MODEL 13
1 H1 ALA 1 H ALA 1 -6.183 -11.664 -9.328
2 HA ALA 1 HA ALA 1 -4.327 -9.894 -8.881
3 HB1 ALA 1 1HB ALA 1 -5.281 -10.351 -11.706
4 HB2 ALA 1 2HB ALA 1 -4.262 -11.449 -10.776
5 HB3 ALA 1 3HB ALA 1 -3.662 -9.851 -11.218
6 H HIS 2 H HIS 2 -6.708 -8.437 -8.198
7 HA HIS 2 HA HIS 2 -6.520 -6.140 -10.007
8 HB2 HIS 2 2HB HIS 2 -8.853 -7.157 -8.406
9 HB3 HIS 2 1HB HIS 2 -8.796 -5.521 -9.045
10 HD1 HIS 2 1HD HIS 2 -9.560 -9.004 -9.995
11 HD2 HIS 2 2HD HIS 2 -8.813 -5.389 -11.887
12 HE1 HIS 2 1HE HIS 2 -10.388 -9.278 -12.345
13 H CYS 3 H CYS 3 -6.134 -4.203 -9.179
14 HA CYS 3 HA CYS 3 -5.084 -4.189 -6.465
15 HB2 CYS 3 2HB CYS 3 -4.748 -2.243 -8.743
16 HB3 CYS 3 1HB CYS 3 -3.921 -2.147 -7.191
17 H ASP 4 H ASP 4 -8.015 -3.948 -7.073
18 HA ASP 4 HA ASP 4 -8.493 -1.250 -5.983
19 HB2 ASP 4 2HB ASP 4 -10.768 -1.417 -6.731
20 HB3 ASP 4 1HB ASP 4 -9.755 -1.946 -8.063
21 H HIS 5 H HIS 5 -7.932 -4.218 -4.895
22 HA HIS 5 HA HIS 5 -9.962 -4.116 -2.778
23 HB2 HIS 5 2HB HIS 5 -10.023 -6.149 -4.156
24 HB3 HIS 5 1HB HIS 5 -8.333 -6.461 -3.795
25 HD1 HIS 5 1HD HIS 5 -11.782 -6.953 -2.459
26 HD2 HIS 5 2HD HIS 5 -7.853 -7.416 -1.205
27 HE1 HIS 5 1HE HIS 5 -11.884 -8.408 -0.401
28 H PHE 6 H PHE 6 -9.326 -3.676 -0.801
29 HA PHE 6 HA PHE 6 -6.565 -3.070 -0.253
30 HB2 PHE 6 2HB PHE 6 -8.290 -1.541 0.486
31 HB3 PHE 6 1HB PHE 6 -9.120 -2.823 1.347
32 HD1 PHE 6 1HD PHE 6 -6.178 -0.585 1.365
33 HD2 PHE 6 2HD PHE 6 -8.448 -3.464 3.541
34 HE1 PHE 6 1HE PHE 6 -5.009 0.035 3.428
35 HE2 PHE 6 2HE PHE 6 -7.264 -2.839 5.599
36 HZ PHE 6 HZ PHE 6 -5.551 -1.087 5.544
37 H LEU 7 H LEU 7 -5.212 -4.519 0.531
38 HA LEU 7 HA LEU 7 -6.205 -6.976 1.790
39 HB2 LEU 7 2HB LEU 7 -3.439 -6.190 0.885
40 HB3 LEU 7 1HB LEU 7 -3.834 -7.725 1.614
41 HG LEU 7 HG LEU 7 -4.820 -6.711 -1.058
42 HD11 LEU 7 1HD1 LEU 7 -2.472 -7.339 -1.059
43 HD12 LEU 7 2HD1 LEU 7 -3.435 -8.514 -1.956
44 HD13 LEU 7 3HD1 LEU 7 -2.872 -8.893 -0.327
45 HD21 LEU 7 1HD2 LEU 7 -5.789 -8.924 -1.338
46 HD22 LEU 7 2HD2 LEU 7 -6.483 -8.136 0.084
47 HD23 LEU 7 3HD2 LEU 7 -5.254 -9.381 0.276
48 H GLY 8 H GLY 8 -3.873 -4.367 2.402
49 HA2 GLY 8 2HA GLY 8 -4.385 -4.463 5.188
50 HA3 GLY 8 1HA GLY 8 -2.838 -5.195 4.770
51 H GLU 9 H GLU 9 -2.144 -3.380 6.154
52 HA GLU 9 HA GLU 9 -1.767 -0.940 4.560
53 HB2 GLU 9 2HB GLU 9 -3.536 -0.636 6.256
54 HB3 GLU 9 1HB GLU 9 -2.408 -1.132 7.503
55 HG2 GLU 9 2HG GLU 9 -0.999 0.827 6.904
56 HG3 GLU 9 1HG GLU 9 -2.282 1.342 5.807
57 H ALA 10 H ALA 10 0.256 -0.027 4.800
58 HA ALA 10 HA ALA 10 2.102 -1.315 6.671
59 HB1 ALA 10 1HB ALA 10 3.880 -1.097 5.015
60 HB2 ALA 10 2HB ALA 10 2.732 -0.441 3.846
61 HB3 ALA 10 3HB ALA 10 2.575 -2.113 4.400
62 HA PRO 11 HA PRO 11 2.900 2.982 7.656
63 HB2 PRO 11 2HB PRO 11 4.832 2.604 9.500
64 HB3 PRO 11 1HB PRO 11 3.141 2.234 9.846
65 HG2 PRO 11 2HG PRO 11 5.386 0.384 9.179
66 HG3 PRO 11 1HG PRO 11 4.028 0.137 10.293
67 HD2 PRO 11 2HD PRO 11 4.219 -0.870 7.709
68 HD3 PRO 11 1HD PRO 11 2.717 -0.697 8.638
69 H VAL 12 H VAL 12 3.927 4.096 6.062
70 HA VAL 12 HA VAL 12 6.772 3.500 5.591
71 HB VAL 12 HB VAL 12 4.790 4.350 3.462
72 HG11 VAL 12 1HG1 VAL 12 6.584 3.870 1.880
73 HG12 VAL 12 2HG1 VAL 12 7.653 3.452 3.217
74 HG13 VAL 12 3HG1 VAL 12 7.075 5.107 3.042
75 HG21 VAL 12 1HG2 VAL 12 5.045 2.102 2.553
76 HG22 VAL 12 2HG2 VAL 12 4.330 2.087 4.168
77 HG23 VAL 12 3HG2 VAL 12 6.030 1.663 3.955
78 H TYR 13 H TYR 13 7.983 5.203 6.098
79 HA TYR 13 HA TYR 13 7.367 7.761 5.079
80 HB2 TYR 13 2HB TYR 13 6.064 7.911 7.159
81 HB3 TYR 13 1HB TYR 13 7.477 7.429 8.095
82 HD1 TYR 13 1HD TYR 13 6.534 10.018 5.566
83 HD2 TYR 13 2HD TYR 13 8.650 9.107 9.138
84 HE1 TYR 13 1HE TYR 13 7.218 12.357 5.746
85 HE2 TYR 13 2HE TYR 13 9.335 11.445 9.337
86 HH TYR 13 HH TYR 13 9.621 13.382 7.952
87 HA PRO 14 HA PRO 14 8.487 9.553 4.400
88 HB2 PRO 14 2HB PRO 14 9.990 9.605 2.147
89 HB3 PRO 14 1HB PRO 14 10.388 10.520 3.611
90 HG2 PRO 14 2HG PRO 14 11.480 7.892 2.666
91 HG3 PRO 14 1HG PRO 14 12.354 9.285 3.332
92 HD2 PRO 14 2HD PRO 14 11.764 7.130 4.828
93 HD3 PRO 14 1HD PRO 14 11.778 8.772 5.503
94 H CYS 15 H CYS 15 7.082 9.452 2.620
95 HA CYS 15 HA CYS 15 6.681 6.715 1.670
96 HB2 CYS 15 2HB CYS 15 4.995 7.498 3.335
97 HB3 CYS 15 1HB CYS 15 4.566 8.795 2.228
98 H LYS 16 H LYS 16 6.777 6.442 -0.417
99 HA LYS 16 HA LYS 16 6.007 8.529 -2.283
100 HB2 LYS 16 2HB LYS 16 8.594 6.933 -2.404
101 HB3 LYS 16 1HB LYS 16 7.979 7.930 -3.710
102 HG2 LYS 16 2HG LYS 16 8.821 8.934 -0.996
103 HG3 LYS 16 1HG LYS 16 9.791 9.008 -2.475
104 HD2 LYS 16 2HD LYS 16 8.079 10.428 -3.515
105 HD3 LYS 16 1HD LYS 16 7.114 10.332 -2.043
106 HE2 LYS 16 2HE LYS 16 9.886 11.520 -2.219
107 HE3 LYS 16 1HE LYS 16 8.394 12.450 -2.236
108 HZ1 LYS 16 1HZ LYS 16 9.364 12.423 -0.050
109 HZ2 LYS 16 2HZ LYS 16 9.411 10.774 -0.002
110 HZ3 LYS 16 3HZ LYS 16 7.909 11.572 0.011
111 H GLU 17 H GLU 17 5.882 7.409 -4.530
112 HA GLU 17 HA GLU 17 3.924 5.407 -4.327
113 HB2 GLU 17 2HB GLU 17 5.519 6.318 -6.707
114 HB3 GLU 17 1HB GLU 17 4.258 5.110 -6.812
115 HG2 GLU 17 2HG GLU 17 2.649 6.761 -5.968
116 HG3 GLU 17 1HG GLU 17 3.936 7.970 -5.951
117 H LYS 18 H LYS 18 7.176 5.119 -5.583
118 HA LYS 18 HA LYS 18 7.018 2.355 -6.063
119 HB2 LYS 18 2HB LYS 18 9.458 4.088 -5.670
120 HB3 LYS 18 1HB LYS 18 9.487 2.444 -6.292
121 HG2 LYS 18 2HG LYS 18 8.150 3.129 -8.205
122 HG3 LYS 18 1HG LYS 18 8.070 4.773 -7.577
123 HD2 LYS 18 2HD LYS 18 10.517 4.937 -7.742
124 HD3 LYS 18 1HD LYS 18 10.572 3.298 -8.396
125 HE2 LYS 18 2HE LYS 18 9.188 4.026 -10.290
126 HE3 LYS 18 1HE LYS 18 9.163 5.659 -9.634
127 HZ1 LYS 18 1HZ LYS 18 11.587 4.195 -10.543
128 HZ2 LYS 18 2HZ LYS 18 11.565 5.773 -9.919
129 HZ3 LYS 18 3HZ LYS 18 10.808 5.442 -11.364
130 H ALA 19 H ALA 19 8.119 4.160 -3.281
131 HA ALA 19 HA ALA 19 9.161 2.023 -1.782
132 HB1 ALA 19 1HB ALA 19 8.843 3.470 0.172
133 HB2 ALA 19 2HB ALA 19 7.856 4.564 -0.799
134 HB3 ALA 19 3HB ALA 19 9.569 4.355 -1.169
135 H CYS 20 H CYS 20 5.947 3.531 -1.752
136 HA CYS 20 HA CYS 20 4.811 1.859 0.190
137 HB2 CYS 20 2HB CYS 20 3.900 4.070 -0.496
138 HB3 CYS 20 1HB CYS 20 3.463 3.395 -2.055
139 H LYS 21 H LYS 21 4.803 1.680 -3.365
140 HA LYS 21 HA LYS 21 3.177 -0.606 -3.556
141 HB2 LYS 21 2HB LYS 21 3.672 0.955 -5.424
142 HB3 LYS 21 1HB LYS 21 5.310 0.317 -5.472
143 HG2 LYS 21 2HG LYS 21 4.414 -1.907 -6.007
144 HG3 LYS 21 1HG LYS 21 2.787 -1.232 -5.984
145 HD2 LYS 21 2HD LYS 21 3.488 -1.367 -8.265
146 HD3 LYS 21 1HD LYS 21 3.490 0.328 -7.796
147 HE2 LYS 21 2HE LYS 21 5.912 0.229 -7.433
148 HE3 LYS 21 1HE LYS 21 5.913 -1.470 -7.903
149 HZ1 LYS 21 1HZ LYS 21 6.577 -0.101 -9.743
150 HZ2 LYS 21 2HZ LYS 21 5.211 0.849 -9.586
151 HZ3 LYS 21 3HZ LYS 21 5.055 -0.743 -10.096
152 H SER 22 H SER 22 6.668 -0.205 -3.196
153 HA SER 22 HA SER 22 7.357 -2.879 -3.719
154 HB2 SER 22 2HB SER 22 8.973 -0.971 -3.749
155 HB3 SER 22 1HB SER 22 8.859 -0.898 -1.994
156 HG SER 22 HG SER 22 9.680 -3.098 -1.947
157 H VAL 23 H VAL 23 7.014 -1.131 -0.484
158 HA VAL 23 HA VAL 23 7.537 -3.370 0.909
159 HB VAL 23 HB VAL 23 6.742 -2.119 2.741
160 HG11 VAL 23 1HG1 VAL 23 8.448 -0.492 0.879
161 HG12 VAL 23 2HG1 VAL 23 8.999 -1.712 2.027
162 HG13 VAL 23 3HG1 VAL 23 8.305 -0.201 2.612
163 HG21 VAL 23 1HG2 VAL 23 5.863 -0.031 0.776
164 HG22 VAL 23 2HG2 VAL 23 5.912 0.169 2.531
165 HG23 VAL 23 3HG2 VAL 23 4.820 -1.011 1.808
166 H CYS 24 H CYS 24 4.480 -2.077 -0.363
167 HA CYS 24 HA CYS 24 2.852 -3.744 1.146
168 HB2 CYS 24 2HB CYS 24 2.466 -2.390 -1.484
169 HB3 CYS 24 1HB CYS 24 1.250 -3.515 -0.879
170 H LYS 25 H LYS 25 4.697 -4.448 -1.708
171 HA LYS 25 HA LYS 25 3.470 -7.048 -1.962
172 HB2 LYS 25 2HB LYS 25 5.734 -5.749 -3.478
173 HB3 LYS 25 1HB LYS 25 5.148 -7.386 -3.760
174 HG2 LYS 25 2HG LYS 25 2.958 -6.535 -4.350
175 HG3 LYS 25 1HG LYS 25 3.494 -4.894 -4.021
176 HD2 LYS 25 2HD LYS 25 3.449 -5.360 -6.426
177 HD3 LYS 25 1HD LYS 25 5.077 -5.015 -5.880
178 HE2 LYS 25 2HE LYS 25 4.056 -7.842 -6.198
179 HE3 LYS 25 1HE LYS 25 4.731 -6.951 -7.553
180 HZ1 LYS 25 1HZ LYS 25 6.805 -6.730 -6.287
181 HZ2 LYS 25 2HZ LYS 25 6.424 -8.328 -6.566
182 HZ3 LYS 25 3HZ LYS 25 6.200 -7.683 -5.039
183 H GLU 26 H GLU 26 5.846 -5.702 -0.097
184 HA GLU 26 HA GLU 26 7.298 -8.203 0.189
185 HB2 GLU 26 2HB GLU 26 7.816 -5.456 1.329
186 HB3 GLU 26 1HB GLU 26 8.805 -6.869 1.679
187 HG2 GLU 26 2HG GLU 26 9.390 -7.096 -0.648
188 HG3 GLU 26 1HG GLU 26 8.321 -5.765 -1.073
189 H HIS 27 H HIS 27 5.251 -6.021 2.058
190 HA HIS 27 HA HIS 27 5.155 -7.707 4.366
191 HB2 HIS 27 2HB HIS 27 3.251 -5.551 3.386
192 HB3 HIS 27 1HB HIS 27 2.983 -6.446 4.867
193 HD1 HIS 27 1HD HIS 27 3.978 -5.403 6.948
194 HD2 HIS 27 2HD HIS 27 5.666 -3.946 3.453
195 HE1 HIS 27 1HE HIS 27 5.468 -3.492 7.640
196 H TYR 28 H TYR 28 3.166 -7.289 1.484
197 HA TYR 28 HA TYR 28 1.899 -9.872 2.045
198 HB2 TYR 28 2HB TYR 28 0.638 -7.533 0.576
199 HB3 TYR 28 1HB TYR 28 -0.142 -9.048 1.008
200 HD1 TYR 28 1HD TYR 28 -0.850 -9.450 3.338
201 HD2 TYR 28 2HD TYR 28 0.944 -5.770 2.175
202 HE1 TYR 28 1HE TYR 28 -1.596 -8.424 5.428
203 HE2 TYR 28 2HE TYR 28 0.208 -4.736 4.264
204 HH TYR 28 HH TYR 28 -0.977 -6.578 6.857
205 H HIS 29 H HIS 29 3.169 -11.096 0.700
206 HA HIS 29 HA HIS 29 4.213 -10.150 -1.762
207 HB2 HIS 29 2HB HIS 29 3.936 -12.986 -0.771
208 HB3 HIS 29 1HB HIS 29 4.827 -12.524 -2.208
209 HD1 HIS 29 1HD HIS 29 6.412 -10.093 -1.047
210 HD2 HIS 29 2HD HIS 29 5.872 -13.716 0.903
211 HE1 HIS 29 1HE HIS 29 8.323 -10.299 0.569
212 H HIS 30 H HIS 30 1.170 -10.854 -1.065
213 HA HIS 30 HA HIS 30 0.473 -12.043 -3.643
214 HB2 HIS 30 2HB HIS 30 -1.354 -11.364 -1.328
215 HB3 HIS 30 1HB HIS 30 -1.732 -12.364 -2.717
216 HD1 HIS 30 1HD HIS 30 -0.872 -14.966 -2.578
217 HD2 HIS 30 2HD HIS 30 0.129 -12.556 0.692
218 HE1 HIS 30 1HE HIS 30 -0.207 -16.493 -0.781
219 H ALA 31 H ALA 31 0.919 -9.016 -2.269
220 HA ALA 31 HA ALA 31 -1.381 -7.661 -3.341
221 HB1 ALA 31 1HB ALA 31 -0.341 -5.634 -2.478
222 HB2 ALA 31 2HB ALA 31 1.143 -6.525 -2.138
223 HB3 ALA 31 3HB ALA 31 -0.335 -6.903 -1.255
224 H CYS 32 H CYS 32 -1.135 -5.803 -4.782
225 HA CYS 32 HA CYS 32 0.915 -6.336 -6.815
226 HB2 CYS 32 2HB CYS 32 -0.750 -5.545 -8.490
227 HB3 CYS 32 1HB CYS 32 -1.205 -7.027 -7.655
228 H LYS 33 H LYS 33 -1.027 -3.813 -5.233
229 HA LYS 33 HA LYS 33 1.016 -1.890 -5.986
230 HB2 LYS 33 2HB LYS 33 -0.691 -1.740 -7.750
231 HB3 LYS 33 1HB LYS 33 -1.931 -1.500 -6.530
232 HG2 LYS 33 2HG LYS 33 -0.797 0.588 -5.846
233 HG3 LYS 33 1HG LYS 33 0.348 0.360 -7.163
234 HD2 LYS 33 2HD LYS 33 -1.439 0.527 -8.788
235 HD3 LYS 33 1HD LYS 33 -2.635 0.623 -7.491
236 HE2 LYS 33 2HE LYS 33 -0.426 2.615 -7.991
237 HE3 LYS 33 1HE LYS 33 -2.122 2.841 -8.416
238 HZ1 LYS 33 1HZ LYS 33 -1.023 2.535 -5.655
239 HZ2 LYS 33 2HZ LYS 33 -2.666 2.671 -6.044
240 HZ3 LYS 33 3HZ LYS 33 -1.641 3.948 -6.328
241 H GLY 34 H GLY 34 1.161 -0.143 -4.587
242 HA2 GLY 34 2HA GLY 34 -0.567 -0.251 -2.218
243 HA3 GLY 34 1HA GLY 34 1.128 0.255 -2.183
244 H GLU 35 H GLU 35 -0.881 1.963 -1.268
245 HA GLU 35 HA GLU 35 -0.300 4.171 -3.017
246 HB2 GLU 35 2HB GLU 35 -2.499 3.283 -3.858
247 HB3 GLU 35 1HB GLU 35 -3.176 3.675 -2.274
248 HG2 GLU 35 2HG GLU 35 -3.657 5.373 -3.994
249 HG3 GLU 35 1HG GLU 35 -2.775 6.001 -2.603
250 H CYS 36 H CYS 36 0.061 5.902 -1.963
251 HA CYS 36 HA CYS 36 -0.014 5.851 0.936
252 HB2 CYS 36 2HB CYS 36 1.989 6.385 -0.585
253 HB3 CYS 36 1HB CYS 36 1.171 7.899 -0.925
254 H GLU 37 H GLU 37 -1.948 6.564 1.726
255 HA GLU 37 HA GLU 37 -3.319 8.855 0.410
256 HB2 GLU 37 2HB GLU 37 -4.531 6.351 1.575
257 HB3 GLU 37 1HB GLU 37 -5.449 7.755 1.071
258 HG2 GLU 37 2HG GLU 37 -3.688 6.178 -0.771
259 HG3 GLU 37 1HG GLU 37 -5.398 5.831 -0.530
260 H TYR 38 H TYR 38 -4.025 10.441 1.802
261 HA TYR 38 HA TYR 38 -3.659 10.038 4.647
262 HB2 TYR 38 2HB TYR 38 -4.564 12.465 3.053
263 HB3 TYR 38 1HB TYR 38 -4.443 12.429 4.803
264 HD1 TYR 38 1HD TYR 38 -2.354 12.651 5.900
265 HD2 TYR 38 2HD TYR 38 -2.474 12.306 1.671
266 HE1 TYR 38 1HE TYR 38 0.014 13.305 5.781
267 HE2 TYR 38 2HE TYR 38 -0.122 12.946 1.533
268 HH TYR 38 HH TYR 38 1.529 14.229 2.934
269 H HIS 39 H HIS 39 -5.100 8.895 5.577
270 HA HIS 39 HA HIS 39 -7.902 9.265 4.796
271 HB2 HIS 39 2HB HIS 39 -6.966 7.212 3.757
272 HB3 HIS 39 1HB HIS 39 -6.547 6.613 5.354
273 HD1 HIS 39 1HD HIS 39 -9.524 7.153 3.076
274 HD2 HIS 39 2HD HIS 39 -8.631 5.521 6.796
275 HE1 HIS 39 1HE HIS 39 -11.537 5.825 3.745
276 H GLY 40 H GLY 40 -8.997 9.956 6.461
277 HA2 GLY 40 2HA GLY 40 -9.947 9.801 8.571
278 HA3 GLY 40 1HA GLY 40 -8.674 8.675 9.039
279 H ARG 41 H ARG 41 -6.480 9.634 9.168
280 HA ARG 41 HA ARG 41 -6.605 12.418 10.097
281 HB2 ARG 41 2HB ARG 41 -5.117 10.206 11.540
282 HB3 ARG 41 1HB ARG 41 -5.143 11.900 11.982
283 HG2 ARG 41 2HG ARG 41 -7.524 11.767 12.450
284 HG3 ARG 41 1HG ARG 41 -7.528 10.077 11.962
285 HD2 ARG 41 2HD ARG 41 -5.968 9.550 13.767
286 HD3 ARG 41 1HD ARG 41 -5.965 11.246 14.258
287 HE ARG 41 HE ARG 41 -8.585 10.492 14.198
288 HH11 ARG 41 1HH1 ARG 41 -5.729 9.433 15.994
289 HH12 ARG 41 2HH1 ARG 41 -6.602 8.939 17.366
290 HH21 ARG 41 1HH2 ARG 41 -9.759 9.850 16.083
291 HH22 ARG 41 2HH2 ARG 41 -8.947 9.193 17.434
292 H GLU 42 H GLU 42 -4.210 9.841 9.707
293 HA GLU 42 HA GLU 42 -2.410 11.800 8.466
294 HB2 GLU 42 2HB GLU 42 -0.598 10.315 9.259
295 HB3 GLU 42 1HB GLU 42 -1.592 10.929 10.572
296 HG2 GLU 42 2HG GLU 42 -2.842 8.782 10.513
297 HG3 GLU 42 1HG GLU 42 -1.646 8.180 9.367
298 H VAL 43 H VAL 43 -0.592 10.252 7.293
299 HA VAL 43 HA VAL 43 -2.074 9.122 5.071
300 HB VAL 43 HB VAL 43 -0.174 10.744 4.744
301 HG11 VAL 43 1HG1 VAL 43 1.539 8.420 5.514
302 HG12 VAL 43 2HG1 VAL 43 1.391 9.949 6.389
303 HG13 VAL 43 3HG1 VAL 43 2.120 9.911 4.774
304 HG21 VAL 43 1HG2 VAL 43 -0.973 9.420 2.904
305 HG22 VAL 43 2HG2 VAL 43 0.062 8.077 3.387
306 HG23 VAL 43 3HG2 VAL 43 0.781 9.577 2.808
307 H HIS 44 H HIS 44 -2.048 7.064 4.431
308 HA HIS 44 HA HIS 44 -0.506 5.114 6.022
309 HB2 HIS 44 2HB HIS 44 -3.254 4.635 4.843
310 HB3 HIS 44 1HB HIS 44 -2.335 3.552 5.862
311 HD1 HIS 44 1HD HIS 44 -5.288 4.719 6.262
312 HD2 HIS 44 2HD HIS 44 -1.849 5.798 8.304
313 HE1 HIS 44 1HE HIS 44 -6.073 5.653 8.477
314 H CYS 45 H CYS 45 0.364 3.458 4.757
315 HA CYS 45 HA CYS 45 0.089 3.726 1.881
316 HB2 CYS 45 2HB CYS 45 2.374 3.547 2.734
317 HB3 CYS 45 1HB CYS 45 1.957 2.101 3.638
318 H HIS 46 H HIS 46 -1.726 2.796 1.244
319 HA HIS 46 HA HIS 46 -2.780 0.464 2.590
320 HB2 HIS 46 2HB HIS 46 -3.824 2.023 0.219
321 HB3 HIS 46 1HB HIS 46 -4.682 0.739 1.048
322 HD1 HIS 46 1HD HIS 46 -5.433 3.913 0.713
323 HD2 HIS 46 2HD HIS 46 -4.162 1.927 4.135
324 HE1 HIS 46 1HE HIS 46 -6.348 5.225 2.668
325 H CYS 47 H CYS 47 -2.568 -1.545 1.859
326 HA CYS 47 HA CYS 47 -1.091 -1.943 -0.626
327 HB2 CYS 47 2HB CYS 47 -1.654 -3.841 1.656
328 HB3 CYS 47 1HB CYS 47 -0.569 -4.130 0.300
329 H TYR 48 H TYR 48 -2.120 -2.701 -2.375
330 HA TYR 48 HA TYR 48 -4.829 -3.793 -2.032
331 HB2 TYR 48 2HB TYR 48 -3.646 -2.401 -4.426
332 HB3 TYR 48 1HB TYR 48 -5.306 -2.943 -4.237
333 HD1 TYR 48 1HD TYR 48 -6.786 -1.784 -2.609
334 HD2 TYR 48 2HD TYR 48 -2.905 -0.369 -3.568
335 HE1 TYR 48 1HE TYR 48 -7.373 0.403 -1.693
336 HE2 TYR 48 2HE TYR 48 -3.457 1.810 -2.655
337 HH TYR 48 HH TYR 48 -5.560 3.138 -2.289
338 H GLY 49 H GLY 49 -5.440 -5.505 -3.329
339 HA2 GLY 49 2HA GLY 49 -4.365 -6.631 -5.481
340 HA3 GLY 49 1HA GLY 49 -3.313 -7.234 -4.203
341 H ASP 50 H ASP 50 -3.977 -9.322 -4.480
342 HA ASP 50 HA ASP 50 -6.562 -10.001 -3.289
343 HB2 ASP 50 2HB ASP 50 -5.407 -11.230 -5.820
344 HB3 ASP 50 1HB ASP 50 -6.701 -11.920 -4.865
345 H TYR 51 H TYR 51 -6.373 -12.090 -2.260
346 HA TYR 51 HA TYR 51 -3.643 -12.788 -1.736
347 HB2 TYR 51 2HB TYR 51 -6.227 -14.053 -0.770
348 HB3 TYR 51 1HB TYR 51 -4.623 -14.600 -0.290
349 HD1 TYR 51 1HD TYR 51 -3.074 -12.819 0.793
350 HD2 TYR 51 2HD TYR 51 -7.291 -12.404 0.489
351 HE1 TYR 51 1HE TYR 51 -3.036 -11.149 2.600
352 HE2 TYR 51 2HE TYR 51 -7.266 -10.742 2.289
353 HH TYR 51 HH TYR 51 -5.853 -10.043 4.166
354 H HIS 52 H HIS 52 -2.594 -13.799 -3.149
355 HA HIS 52 HA HIS 52 -3.892 -15.599 -5.046
356 HB2 HIS 52 2HB HIS 52 -1.148 -14.308 -5.044
357 HB3 HIS 52 1HB HIS 52 -1.718 -15.411 -6.285
358 HD1 HIS 52 1HD HIS 52 -1.829 -11.801 -5.248
359 HD2 HIS 52 2HD HIS 52 -3.705 -14.328 -7.978
360 HE1 HIS 52 1HE HIS 52 -2.884 -10.315 -6.926
Start of MODEL 14
1 H1 ALA 1 H ALA 1 -8.263 -8.084 -14.106
2 HA ALA 1 HA ALA 1 -5.989 -7.937 -14.221
3 HB1 ALA 1 1HB ALA 1 -5.169 -6.608 -16.080
4 HB2 ALA 1 2HB ALA 1 -6.670 -5.686 -16.105
5 HB3 ALA 1 3HB ALA 1 -6.684 -7.403 -16.508
6 H HIS 2 H HIS 2 -7.591 -5.522 -12.603
7 HA HIS 2 HA HIS 2 -5.174 -3.961 -12.126
8 HB2 HIS 2 2HB HIS 2 -7.348 -2.800 -12.694
9 HB3 HIS 2 1HB HIS 2 -8.045 -3.496 -11.244
10 HD1 HIS 2 1HD HIS 2 -6.519 -0.470 -12.419
11 HD2 HIS 2 2HD HIS 2 -6.536 -2.537 -8.820
12 HE1 HIS 2 1HE HIS 2 -5.853 1.196 -10.654
13 H CYS 3 H CYS 3 -4.122 -4.283 -10.216
14 HA CYS 3 HA CYS 3 -5.035 -6.263 -8.373
15 HB2 CYS 3 2HB CYS 3 -2.826 -4.207 -8.054
16 HB3 CYS 3 1HB CYS 3 -3.048 -5.670 -7.094
17 H ASP 4 H ASP 4 -6.905 -5.693 -7.487
18 HA ASP 4 HA ASP 4 -7.210 -2.931 -6.507
19 HB2 ASP 4 2HB ASP 4 -8.532 -3.449 -8.506
20 HB3 ASP 4 1HB ASP 4 -9.291 -4.782 -7.659
21 H HIS 5 H HIS 5 -7.304 -6.248 -5.541
22 HA HIS 5 HA HIS 5 -9.249 -5.769 -3.491
23 HB2 HIS 5 2HB HIS 5 -8.931 -8.040 -4.550
24 HB3 HIS 5 1HB HIS 5 -7.390 -8.157 -3.706
25 HD1 HIS 5 1HD HIS 5 -11.004 -8.721 -3.256
26 HD2 HIS 5 2HD HIS 5 -7.659 -8.265 -0.833
27 HE1 HIS 5 1HE HIS 5 -11.695 -9.505 -0.962
28 H PHE 6 H PHE 6 -8.878 -4.683 -1.772
29 HA PHE 6 HA PHE 6 -6.327 -3.913 -0.839
30 HB2 PHE 6 2HB PHE 6 -8.165 -2.430 -0.474
31 HB3 PHE 6 1HB PHE 6 -9.128 -3.691 0.268
32 HD1 PHE 6 1HD PHE 6 -6.348 -1.323 0.795
33 HD2 PHE 6 2HD PHE 6 -8.914 -4.226 2.572
34 HE1 PHE 6 1HE PHE 6 -5.684 -0.563 3.031
35 HE2 PHE 6 2HE PHE 6 -8.244 -3.467 4.800
36 HZ PHE 6 HZ PHE 6 -6.647 -1.640 5.040
37 H LEU 7 H LEU 7 -4.995 -5.113 0.249
38 HA LEU 7 HA LEU 7 -5.930 -7.492 1.640
39 HB2 LEU 7 2HB LEU 7 -3.134 -6.492 1.122
40 HB3 LEU 7 1HB LEU 7 -3.548 -8.032 1.843
41 HG LEU 7 HG LEU 7 -4.185 -7.211 -0.993
42 HD11 LEU 7 1HD1 LEU 7 -1.808 -7.512 -0.629
43 HD12 LEU 7 2HD1 LEU 7 -2.466 -8.833 -1.596
44 HD13 LEU 7 3HD1 LEU 7 -2.107 -9.083 0.112
45 HD21 LEU 7 1HD2 LEU 7 -4.489 -9.869 0.408
46 HD22 LEU 7 2HD2 LEU 7 -4.799 -9.558 -1.300
47 HD23 LEU 7 3HD2 LEU 7 -5.810 -8.805 -0.069
48 H GLY 8 H GLY 8 -3.806 -4.684 2.311
49 HA2 GLY 8 2HA GLY 8 -4.828 -4.493 4.971
50 HA3 GLY 8 1HA GLY 8 -3.224 -5.194 4.903
51 H GLU 9 H GLU 9 -2.797 -3.290 6.211
52 HA GLU 9 HA GLU 9 -2.280 -0.864 4.604
53 HB2 GLU 9 2HB GLU 9 -3.093 -1.060 7.503
54 HB3 GLU 9 1HB GLU 9 -2.664 0.423 6.665
55 HG2 GLU 9 2HG GLU 9 -4.572 0.341 5.320
56 HG3 GLU 9 1HG GLU 9 -4.860 -1.349 5.739
57 H ALA 10 H ALA 10 -0.229 -0.384 4.529
58 HA ALA 10 HA ALA 10 1.588 -1.458 6.568
59 HB1 ALA 10 1HB ALA 10 3.365 -1.176 4.897
60 HB2 ALA 10 2HB ALA 10 2.192 -0.518 3.755
61 HB3 ALA 10 3HB ALA 10 2.067 -2.198 4.279
62 HA PRO 11 HA PRO 11 2.436 2.838 7.530
63 HB2 PRO 11 2HB PRO 11 4.565 2.498 9.182
64 HB3 PRO 11 1HB PRO 11 2.914 2.119 9.678
65 HG2 PRO 11 2HG PRO 11 5.133 0.296 8.966
66 HG3 PRO 11 1HG PRO 11 3.737 0.008 10.012
67 HD2 PRO 11 2HD PRO 11 4.076 -0.833 7.320
68 HD3 PRO 11 1HD PRO 11 2.615 -0.966 8.313
69 H VAL 12 H VAL 12 3.306 4.080 5.949
70 HA VAL 12 HA VAL 12 6.120 3.758 5.191
71 HB VAL 12 HB VAL 12 3.893 4.114 3.153
72 HG11 VAL 12 1HG1 VAL 12 5.634 3.845 1.467
73 HG12 VAL 12 2HG1 VAL 12 6.844 3.689 2.736
74 HG13 VAL 12 3HG1 VAL 12 5.983 5.213 2.531
75 HG21 VAL 12 1HG2 VAL 12 3.881 1.830 3.996
76 HG22 VAL 12 2HG2 VAL 12 5.605 1.689 3.649
77 HG23 VAL 12 3HG2 VAL 12 4.452 1.880 2.329
78 H TYR 13 H TYR 13 6.933 5.741 5.720
79 HA TYR 13 HA TYR 13 5.591 8.043 4.609
80 HB2 TYR 13 2HB TYR 13 4.715 7.942 6.916
81 HB3 TYR 13 1HB TYR 13 6.359 7.908 7.545
82 HD1 TYR 13 1HD TYR 13 7.523 9.919 7.960
83 HD2 TYR 13 2HD TYR 13 3.961 10.017 5.629
84 HE1 TYR 13 1HE TYR 13 7.576 12.365 7.985
85 HE2 TYR 13 2HE TYR 13 4.013 12.475 5.654
86 HH TYR 13 HH TYR 13 4.979 14.303 7.009
87 HA PRO 14 HA PRO 14 5.955 9.986 3.891
88 HB2 PRO 14 2HB PRO 14 7.618 10.501 1.518
89 HB3 PRO 14 1HB PRO 14 6.840 11.666 2.596
90 HG2 PRO 14 2HG PRO 14 9.500 11.351 2.552
91 HG3 PRO 14 1HG PRO 14 8.630 11.692 4.059
92 HD2 PRO 14 2HD PRO 14 9.646 9.068 3.020
93 HD3 PRO 14 1HD PRO 14 9.775 9.755 4.655
94 H CYS 15 H CYS 15 4.424 9.287 2.358
95 HA CYS 15 HA CYS 15 5.128 6.691 1.255
96 HB2 CYS 15 2HB CYS 15 3.170 6.962 2.824
97 HB3 CYS 15 1HB CYS 15 2.384 7.894 1.555
98 H LYS 16 H LYS 16 5.085 6.274 -0.863
99 HA LYS 16 HA LYS 16 4.127 8.291 -2.728
100 HB2 LYS 16 2HB LYS 16 6.700 8.164 -2.155
101 HB3 LYS 16 1HB LYS 16 6.642 6.717 -3.141
102 HG2 LYS 16 2HG LYS 16 7.385 8.590 -4.449
103 HG3 LYS 16 1HG LYS 16 5.790 8.059 -5.004
104 HD2 LYS 16 2HD LYS 16 4.703 9.826 -3.944
105 HD3 LYS 16 1HD LYS 16 6.124 10.227 -2.991
106 HE2 LYS 16 2HE LYS 16 5.745 11.836 -4.840
107 HE3 LYS 16 1HE LYS 16 7.294 11.017 -4.966
108 HZ1 LYS 16 1HZ LYS 16 6.225 11.164 -7.091
109 HZ2 LYS 16 2HZ LYS 16 4.842 10.400 -6.554
110 HZ3 LYS 16 3HZ LYS 16 6.296 9.545 -6.667
111 H GLU 17 H GLU 17 3.584 7.174 -4.817
112 HA GLU 17 HA GLU 17 2.103 4.930 -4.680
113 HB2 GLU 17 2HB GLU 17 2.108 6.572 -6.474
114 HB3 GLU 17 1HB GLU 17 3.695 6.035 -6.982
115 HG2 GLU 17 2HG GLU 17 2.111 5.177 -8.479
116 HG3 GLU 17 1HG GLU 17 2.726 3.844 -7.494
117 H LYS 18 H LYS 18 5.479 5.092 -5.824
118 HA LYS 18 HA LYS 18 5.616 2.261 -6.160
119 HB2 LYS 18 2HB LYS 18 6.911 3.886 -7.546
120 HB3 LYS 18 1HB LYS 18 7.899 4.234 -6.138
121 HG2 LYS 18 2HG LYS 18 8.684 1.944 -6.087
122 HG3 LYS 18 1HG LYS 18 7.639 1.539 -7.447
123 HD2 LYS 18 2HD LYS 18 8.852 3.225 -8.810
124 HD3 LYS 18 1HD LYS 18 9.955 3.469 -7.454
125 HE2 LYS 18 2HE LYS 18 10.904 1.928 -9.096
126 HE3 LYS 18 1HE LYS 18 10.606 1.115 -7.559
127 HZ1 LYS 18 1HZ LYS 18 8.614 0.138 -8.476
128 HZ2 LYS 18 2HZ LYS 18 9.902 -0.186 -9.512
129 HZ3 LYS 18 3HZ LYS 18 8.794 1.001 -9.908
130 H ALA 19 H ALA 19 6.647 4.514 -3.688
131 HA ALA 19 HA ALA 19 8.232 2.758 -2.162
132 HB1 ALA 19 1HB ALA 19 8.238 5.183 -1.768
133 HB2 ALA 19 2HB ALA 19 7.876 4.300 -0.288
134 HB3 ALA 19 3HB ALA 19 6.578 5.088 -1.182
135 H CYS 20 H CYS 20 4.798 3.541 -1.992
136 HA CYS 20 HA CYS 20 4.133 1.902 0.184
137 HB2 CYS 20 2HB CYS 20 2.724 3.744 -0.838
138 HB3 CYS 20 1HB CYS 20 2.393 2.673 -2.185
139 H LYS 21 H LYS 21 4.072 1.349 -3.316
140 HA LYS 21 HA LYS 21 3.156 -1.274 -3.493
141 HB2 LYS 21 2HB LYS 21 3.618 0.291 -5.378
142 HB3 LYS 21 1HB LYS 21 5.325 0.052 -5.114
143 HG2 LYS 21 2HG LYS 21 5.048 -2.344 -5.671
144 HG3 LYS 21 1HG LYS 21 3.352 -2.022 -6.053
145 HD2 LYS 21 2HD LYS 21 4.065 -0.366 -7.737
146 HD3 LYS 21 1HD LYS 21 5.745 -0.732 -7.373
147 HE2 LYS 21 2HE LYS 21 5.116 -1.914 -9.368
148 HE3 LYS 21 1HE LYS 21 5.330 -3.080 -8.066
149 HZ1 LYS 21 1HZ LYS 21 3.368 -3.560 -9.359
150 HZ2 LYS 21 2HZ LYS 21 2.732 -2.038 -9.058
151 HZ3 LYS 21 3HZ LYS 21 2.912 -3.142 -7.796
152 H SER 22 H SER 22 6.437 -0.055 -3.083
153 HA SER 22 HA SER 22 7.752 -2.538 -3.174
154 HB2 SER 22 2HB SER 22 8.691 -0.211 -3.647
155 HB3 SER 22 1HB SER 22 8.772 0.011 -1.905
156 HG SER 22 HG SER 22 10.369 -1.365 -1.770
157 H VAL 23 H VAL 23 6.746 -0.455 -0.429
158 HA VAL 23 HA VAL 23 7.835 -2.229 1.512
159 HB VAL 23 HB VAL 23 5.841 0.038 1.892
160 HG11 VAL 23 1HG1 VAL 23 5.730 -1.438 3.779
161 HG12 VAL 23 2HG1 VAL 23 6.629 0.006 4.258
162 HG13 VAL 23 3HG1 VAL 23 7.486 -1.492 3.901
163 HG21 VAL 23 1HG2 VAL 23 8.836 -0.021 2.255
164 HG22 VAL 23 2HG2 VAL 23 7.782 1.341 2.636
165 HG23 VAL 23 3HG2 VAL 23 7.961 0.803 0.965
166 H CYS 24 H CYS 24 4.665 -1.875 0.033
167 HA CYS 24 HA CYS 24 3.288 -3.643 1.664
168 HB2 CYS 24 2HB CYS 24 2.937 -2.948 -1.238
169 HB3 CYS 24 1HB CYS 24 1.895 -4.116 -0.431
170 H LYS 25 H LYS 25 5.676 -4.297 -0.780
171 HA LYS 25 HA LYS 25 5.059 -7.116 -0.836
172 HB2 LYS 25 2HB LYS 25 7.370 -5.555 -1.971
173 HB3 LYS 25 1HB LYS 25 7.225 -7.298 -2.108
174 HG2 LYS 25 2HG LYS 25 5.299 -5.261 -3.219
175 HG3 LYS 25 1HG LYS 25 6.491 -6.173 -4.141
176 HD2 LYS 25 2HD LYS 25 4.153 -7.356 -2.622
177 HD3 LYS 25 1HD LYS 25 4.238 -7.122 -4.358
178 HE2 LYS 25 2HE LYS 25 6.056 -8.924 -2.736
179 HE3 LYS 25 1HE LYS 25 4.686 -9.454 -3.697
180 HZ1 LYS 25 1HZ LYS 25 5.824 -8.634 -5.692
181 HZ2 LYS 25 2HZ LYS 25 6.735 -9.778 -4.894
182 HZ3 LYS 25 3HZ LYS 25 7.152 -8.163 -4.758
183 H GLU 26 H GLU 26 6.775 -5.084 1.211
184 HA GLU 26 HA GLU 26 8.541 -7.159 2.176
185 HB2 GLU 26 2HB GLU 26 7.974 -4.413 3.312
186 HB3 GLU 26 1HB GLU 26 9.297 -5.477 3.779
187 HG2 GLU 26 2HG GLU 26 10.186 -5.333 1.505
188 HG3 GLU 26 1HG GLU 26 8.898 -4.214 1.081
189 H HIS 27 H HIS 27 5.560 -5.581 3.005
190 HA HIS 27 HA HIS 27 5.293 -7.188 5.405
191 HB2 HIS 27 2HB HIS 27 3.379 -5.199 4.170
192 HB3 HIS 27 1HB HIS 27 3.038 -6.099 5.640
193 HD1 HIS 27 1HD HIS 27 4.067 -5.177 7.831
194 HD2 HIS 27 2HD HIS 27 5.437 -3.294 4.395
195 HE1 HIS 27 1HE HIS 27 5.372 -3.173 8.614
196 H TYR 28 H TYR 28 3.803 -7.130 2.184
197 HA TYR 28 HA TYR 28 2.478 -9.646 2.904
198 HB2 TYR 28 2HB TYR 28 1.507 -7.510 1.002
199 HB3 TYR 28 1HB TYR 28 0.697 -9.039 1.309
200 HD1 TYR 28 1HD TYR 28 -0.399 -9.417 3.517
201 HD2 TYR 28 2HD TYR 28 1.298 -5.654 2.480
202 HE1 TYR 28 1HE TYR 28 -1.648 -8.349 5.339
203 HE2 TYR 28 2HE TYR 28 0.055 -4.585 4.303
204 HH TYR 28 HH TYR 28 -1.466 -6.381 6.722
205 H HIS 29 H HIS 29 2.620 -11.262 1.479
206 HA HIS 29 HA HIS 29 4.664 -11.103 -0.573
207 HB2 HIS 29 2HB HIS 29 2.919 -13.433 0.303
208 HB3 HIS 29 1HB HIS 29 4.281 -13.542 -0.795
209 HD1 HIS 29 1HD HIS 29 6.479 -14.203 0.310
210 HD2 HIS 29 2HD HIS 29 3.734 -12.619 3.014
211 HE1 HIS 29 1HE HIS 29 7.498 -14.494 2.569
212 H HIS 30 H HIS 30 1.256 -11.151 -0.209
213 HA HIS 30 HA HIS 30 0.706 -11.784 -2.996
214 HB2 HIS 30 2HB HIS 30 -1.015 -11.457 -0.568
215 HB3 HIS 30 1HB HIS 30 -1.717 -11.476 -2.177
216 HD1 HIS 30 1HD HIS 30 -2.425 -13.666 -2.912
217 HD2 HIS 30 2HD HIS 30 0.632 -13.925 -0.137
218 HE1 HIS 30 1HE HIS 30 -2.098 -16.162 -2.454
219 H ALA 31 H ALA 31 1.699 -9.049 -1.709
220 HA ALA 31 HA ALA 31 -0.402 -7.287 -2.577
221 HB1 ALA 31 1HB ALA 31 1.109 -5.464 -2.038
222 HB2 ALA 31 2HB ALA 31 2.409 -6.617 -1.706
223 HB3 ALA 31 3HB ALA 31 0.952 -6.597 -0.703
224 H CYS 32 H CYS 32 -0.081 -5.625 -4.121
225 HA CYS 32 HA CYS 32 1.793 -6.203 -6.269
226 HB2 CYS 32 2HB CYS 32 -0.110 -7.476 -6.924
227 HB3 CYS 32 1HB CYS 32 -1.205 -6.176 -6.484
228 H LYS 33 H LYS 33 -0.809 -4.050 -5.072
229 HA LYS 33 HA LYS 33 0.704 -1.797 -6.192
230 HB2 LYS 33 2HB LYS 33 -1.266 -2.182 -7.606
231 HB3 LYS 33 1HB LYS 33 -2.310 -2.197 -6.204
232 HG2 LYS 33 2HG LYS 33 -1.804 0.182 -5.806
233 HG3 LYS 33 1HG LYS 33 -0.770 0.190 -7.233
234 HD2 LYS 33 2HD LYS 33 -2.669 -0.322 -8.651
235 HD3 LYS 33 1HD LYS 33 -3.712 -0.467 -7.239
236 HE2 LYS 33 2HE LYS 33 -4.024 1.686 -8.347
237 HE3 LYS 33 1HE LYS 33 -3.378 1.895 -6.726
238 HZ1 LYS 33 1HZ LYS 33 -1.741 1.984 -9.212
239 HZ2 LYS 33 2HZ LYS 33 -1.204 2.444 -7.661
240 HZ3 LYS 33 3HZ LYS 33 -2.375 3.312 -8.450
241 H GLY 34 H GLY 34 0.504 0.160 -4.936
242 HA2 GLY 34 2HA GLY 34 -0.801 -0.154 -2.363
243 HA3 GLY 34 1HA GLY 34 0.909 0.277 -2.419
244 H GLU 35 H GLU 35 -1.849 1.639 -1.820
245 HA GLU 35 HA GLU 35 -1.075 4.114 -3.200
246 HB2 GLU 35 2HB GLU 35 -3.890 3.293 -2.489
247 HB3 GLU 35 1HB GLU 35 -3.436 4.892 -3.036
248 HG2 GLU 35 2HG GLU 35 -2.537 3.831 -5.113
249 HG3 GLU 35 1HG GLU 35 -3.281 2.325 -4.591
250 H CYS 36 H CYS 36 -1.148 6.000 -2.097
251 HA CYS 36 HA CYS 36 -0.825 5.625 0.779
252 HB2 CYS 36 2HB CYS 36 0.039 7.868 -1.016
253 HB3 CYS 36 1HB CYS 36 0.474 7.651 0.679
254 H GLU 37 H GLU 37 -2.474 6.216 2.011
255 HA GLU 37 HA GLU 37 -4.066 8.503 1.121
256 HB2 GLU 37 2HB GLU 37 -4.868 6.144 2.798
257 HB3 GLU 37 1HB GLU 37 -5.844 7.598 2.652
258 HG2 GLU 37 2HG GLU 37 -4.984 5.890 0.342
259 HG3 GLU 37 1HG GLU 37 -6.531 5.746 1.167
260 H TYR 38 H TYR 38 -3.331 10.204 2.075
261 HA TYR 38 HA TYR 38 -2.355 10.116 4.778
262 HB2 TYR 38 2HB TYR 38 -2.680 12.371 2.790
263 HB3 TYR 38 1HB TYR 38 -2.113 12.628 4.432
264 HD1 TYR 38 1HD TYR 38 -1.234 11.236 1.123
265 HD2 TYR 38 2HD TYR 38 0.074 11.922 5.103
266 HE1 TYR 38 1HE TYR 38 1.072 10.729 0.449
267 HE2 TYR 38 2HE TYR 38 2.377 11.427 4.449
268 HH TYR 38 HH TYR 38 3.419 11.341 1.340
269 H HIS 39 H HIS 39 -3.875 9.767 6.183
270 HA HIS 39 HA HIS 39 -6.334 11.345 6.033
271 HB2 HIS 39 2HB HIS 39 -6.757 8.957 5.548
272 HB3 HIS 39 1HB HIS 39 -5.963 8.507 7.049
273 HD1 HIS 39 1HD HIS 39 -7.720 7.806 8.744
274 HD2 HIS 39 2HD HIS 39 -9.015 10.911 6.289
275 HE1 HIS 39 1HE HIS 39 -10.017 8.377 9.510
276 H GLY 40 H GLY 40 -6.001 12.891 7.458
277 HA2 GLY 40 2HA GLY 40 -5.884 13.827 9.545
278 HA3 GLY 40 1HA GLY 40 -5.696 12.212 10.225
279 H ARG 41 H ARG 41 -3.873 11.987 11.231
280 HA ARG 41 HA ARG 41 -1.589 13.715 10.638
281 HB2 ARG 41 2HB ARG 41 -1.733 11.508 12.654
282 HB3 ARG 41 1HB ARG 41 -0.649 12.876 12.644
283 HG2 ARG 41 2HG ARG 41 -2.437 14.370 13.235
284 HG3 ARG 41 1HG ARG 41 -3.618 13.061 13.093
285 HD2 ARG 41 2HD ARG 41 -1.381 13.313 15.096
286 HD3 ARG 41 1HD ARG 41 -3.119 13.319 15.414
287 HE ARG 41 HE ARG 41 -2.400 10.927 14.104
288 HH11 ARG 41 1HH1 ARG 41 -2.102 12.404 17.300
289 HH12 ARG 41 2HH1 ARG 41 -1.960 10.913 18.100
290 HH21 ARG 41 1HH2 ARG 41 -2.136 9.020 15.099
291 HH22 ARG 41 2HH2 ARG 41 -1.966 8.869 16.804
292 H GLU 42 H GLU 42 -2.655 10.429 10.366
293 HA GLU 42 HA GLU 42 0.004 9.431 9.702
294 HB2 GLU 42 2HB GLU 42 -2.557 8.077 10.484
295 HB3 GLU 42 1HB GLU 42 -1.266 7.178 9.714
296 HG2 GLU 42 2HG GLU 42 -1.230 6.918 12.138
297 HG3 GLU 42 1HG GLU 42 0.225 7.701 11.543
298 H VAL 43 H VAL 43 0.185 7.861 7.955
299 HA VAL 43 HA VAL 43 -1.742 8.296 5.828
300 HB VAL 43 HB VAL 43 0.277 9.498 5.147
301 HG11 VAL 43 1HG1 VAL 43 1.727 6.916 5.527
302 HG12 VAL 43 2HG1 VAL 43 1.916 8.365 6.531
303 HG13 VAL 43 3HG1 VAL 43 2.411 8.380 4.830
304 HG21 VAL 43 1HG2 VAL 43 0.040 6.891 3.653
305 HG22 VAL 43 2HG2 VAL 43 0.798 8.364 3.043
306 HG23 VAL 43 3HG2 VAL 43 -0.931 8.339 3.386
307 H HIS 44 H HIS 44 -2.525 6.591 4.940
308 HA HIS 44 HA HIS 44 -1.682 4.010 6.017
309 HB2 HIS 44 2HB HIS 44 -4.275 4.800 4.653
310 HB3 HIS 44 1HB HIS 44 -3.921 3.227 5.347
311 HD1 HIS 44 1HD HIS 44 -5.180 2.975 7.532
312 HD2 HIS 44 2HD HIS 44 -3.810 6.836 6.880
313 HE1 HIS 44 1HE HIS 44 -5.951 4.325 9.517
314 H CYS 45 H CYS 45 -0.472 2.929 4.738
315 HA CYS 45 HA CYS 45 -0.518 3.295 1.855
316 HB2 CYS 45 2HB CYS 45 1.662 3.100 2.938
317 HB3 CYS 45 1HB CYS 45 1.181 1.611 3.720
318 H HIS 46 H HIS 46 -2.190 2.366 0.936
319 HA HIS 46 HA HIS 46 -3.407 -0.002 2.052
320 HB2 HIS 46 2HB HIS 46 -4.143 1.717 -0.320
321 HB3 HIS 46 1HB HIS 46 -5.044 0.291 0.166
322 HD1 HIS 46 1HD HIS 46 -6.471 2.997 0.106
323 HD2 HIS 46 2HD HIS 46 -4.541 1.479 3.458
324 HE1 HIS 46 1HE HIS 46 -7.595 4.055 2.102
325 H CYS 47 H CYS 47 -2.546 -1.833 1.628
326 HA CYS 47 HA CYS 47 -1.048 -2.267 -0.802
327 HB2 CYS 47 2HB CYS 47 -1.601 -4.084 1.542
328 HB3 CYS 47 1HB CYS 47 -0.461 -4.399 0.236
329 H TYR 48 H TYR 48 -2.124 -2.817 -2.532
330 HA TYR 48 HA TYR 48 -4.592 -4.409 -2.338
331 HB2 TYR 48 2HB TYR 48 -3.405 -2.944 -4.692
332 HB3 TYR 48 1HB TYR 48 -4.950 -3.762 -4.665
333 HD1 TYR 48 1HD TYR 48 -3.088 -0.795 -3.615
334 HD2 TYR 48 2HD TYR 48 -6.892 -2.687 -3.669
335 HE1 TYR 48 1HE TYR 48 -4.148 1.327 -3.082
336 HE2 TYR 48 2HE TYR 48 -7.963 -0.558 -3.129
337 HH TYR 48 HH TYR 48 -6.330 2.363 -3.431
338 H GLY 49 H GLY 49 -4.723 -6.317 -3.520
339 HA2 GLY 49 2HA GLY 49 -2.788 -7.201 -5.365
340 HA3 GLY 49 1HA GLY 49 -2.495 -7.926 -3.785
341 H ASP 50 H ASP 50 -3.058 -9.979 -4.440
342 HA ASP 50 HA ASP 50 -5.938 -10.447 -4.606
343 HB2 ASP 50 2HB ASP 50 -3.864 -11.753 -6.405
344 HB3 ASP 50 1HB ASP 50 -5.510 -12.322 -6.214
345 H TYR 51 H TYR 51 -6.475 -12.470 -3.588
346 HA TYR 51 HA TYR 51 -4.174 -13.624 -2.217
347 HB2 TYR 51 2HB TYR 51 -5.314 -13.707 -0.117
348 HB3 TYR 51 1HB TYR 51 -5.450 -12.066 -0.712
349 HD1 TYR 51 1HD TYR 51 -7.187 -14.842 0.619
350 HD2 TYR 51 2HD TYR 51 -7.710 -11.473 -1.925
351 HE1 TYR 51 1HE TYR 51 -9.602 -14.960 0.975
352 HE2 TYR 51 2HE TYR 51 -10.129 -11.584 -1.571
353 HH TYR 51 HH TYR 51 -11.510 -13.359 0.885
354 H HIS 52 H HIS 52 -4.733 -15.730 -1.227
355 HA HIS 52 HA HIS 52 -6.779 -17.200 -2.602
356 HB2 HIS 52 2HB HIS 52 -3.838 -17.818 -2.865
357 HB3 HIS 52 1HB HIS 52 -5.051 -19.080 -3.011
358 HD1 HIS 52 1HD HIS 52 -6.909 -18.516 -5.001
359 HD2 HIS 52 2HD HIS 52 -3.229 -16.600 -5.146
360 HE1 HIS 52 1HE HIS 52 -6.639 -17.754 -7.366
Start of MODEL 15
1 H1 ALA 1 H ALA 1 -5.184 -11.592 -12.714
2 HA ALA 1 HA ALA 1 -6.048 -11.333 -9.995
3 HB1 ALA 1 1HB ALA 1 -3.752 -11.946 -10.626
4 HB2 ALA 1 2HB ALA 1 -3.791 -10.525 -9.582
5 HB3 ALA 1 3HB ALA 1 -3.525 -10.338 -11.315
6 H HIS 2 H HIS 2 -7.095 -9.701 -9.110
7 HA HIS 2 HA HIS 2 -7.102 -7.115 -10.502
8 HB2 HIS 2 2HB HIS 2 -8.926 -8.195 -8.334
9 HB3 HIS 2 1HB HIS 2 -8.995 -6.555 -8.939
10 HD1 HIS 2 1HD HIS 2 -11.363 -6.708 -9.901
11 HD2 HIS 2 2HD HIS 2 -8.821 -9.670 -11.330
12 HE1 HIS 2 1HE HIS 2 -12.617 -7.865 -11.748
13 H CYS 3 H CYS 3 -5.578 -5.816 -9.806
14 HA CYS 3 HA CYS 3 -4.433 -5.976 -7.170
15 HB2 CYS 3 2HB CYS 3 -3.992 -4.062 -9.470
16 HB3 CYS 3 1HB CYS 3 -3.067 -4.043 -7.969
17 H ASP 4 H ASP 4 -7.028 -5.513 -6.796
18 HA ASP 4 HA ASP 4 -7.048 -2.733 -5.861
19 HB2 ASP 4 2HB ASP 4 -8.284 -2.916 -8.020
20 HB3 ASP 4 1HB ASP 4 -9.409 -4.020 -7.240
21 H HIS 5 H HIS 5 -7.318 -5.913 -4.995
22 HA HIS 5 HA HIS 5 -9.415 -5.605 -3.040
23 HB2 HIS 5 2HB HIS 5 -7.357 -7.806 -3.334
24 HB3 HIS 5 1HB HIS 5 -8.761 -7.849 -2.284
25 HD1 HIS 5 1HD HIS 5 -7.635 -8.660 -5.662
26 HD2 HIS 5 2HD HIS 5 -11.231 -7.983 -3.720
27 HE1 HIS 5 1HE HIS 5 -9.395 -9.708 -7.120
28 H PHE 6 H PHE 6 -9.138 -4.845 -1.066
29 HA PHE 6 HA PHE 6 -6.616 -3.840 -0.227
30 HB2 PHE 6 2HB PHE 6 -8.671 -2.621 0.257
31 HB3 PHE 6 1HB PHE 6 -9.313 -3.995 1.136
32 HD1 PHE 6 1HD PHE 6 -9.179 -3.985 3.400
33 HD2 PHE 6 2HD PHE 6 -6.371 -1.675 1.199
34 HE1 PHE 6 1HE PHE 6 -8.271 -3.091 5.503
35 HE2 PHE 6 2HE PHE 6 -5.463 -0.786 3.297
36 HZ PHE 6 HZ PHE 6 -6.406 -1.493 5.449
37 H LEU 7 H LEU 7 -5.152 -5.255 0.302
38 HA LEU 7 HA LEU 7 -5.760 -7.753 1.615
39 HB2 LEU 7 2HB LEU 7 -3.099 -6.495 0.978
40 HB3 LEU 7 1HB LEU 7 -3.352 -8.145 1.496
41 HG LEU 7 HG LEU 7 -4.230 -6.940 -1.128
42 HD11 LEU 7 1HD1 LEU 7 -1.847 -7.324 -0.989
43 HD12 LEU 7 2HD1 LEU 7 -2.602 -8.484 -2.083
44 HD13 LEU 7 3HD1 LEU 7 -2.129 -8.982 -0.460
45 HD21 LEU 7 1HD2 LEU 7 -5.845 -8.595 -0.405
46 HD22 LEU 7 2HD2 LEU 7 -4.550 -9.740 -0.061
47 HD23 LEU 7 3HD2 LEU 7 -4.871 -9.246 -1.724
48 H GLY 8 H GLY 8 -4.402 -4.641 2.426
49 HA2 GLY 8 2HA GLY 8 -5.040 -4.619 5.061
50 HA3 GLY 8 1HA GLY 8 -3.463 -5.403 4.988
51 H GLU 9 H GLU 9 -3.062 -3.311 6.269
52 HA GLU 9 HA GLU 9 -2.275 -1.301 4.311
53 HB2 GLU 9 2HB GLU 9 -2.734 0.451 6.008
54 HB3 GLU 9 1HB GLU 9 -4.174 -0.394 5.468
55 HG2 GLU 9 2HG GLU 9 -4.110 -1.755 7.501
56 HG3 GLU 9 1HG GLU 9 -2.703 -0.839 8.049
57 H ALA 10 H ALA 10 -0.384 -0.309 4.621
58 HA ALA 10 HA ALA 10 1.370 -1.449 6.690
59 HB1 ALA 10 1HB ALA 10 1.932 -2.320 4.466
60 HB2 ALA 10 2HB ALA 10 3.217 -1.278 5.079
61 HB3 ALA 10 3HB ALA 10 2.098 -0.672 3.859
62 HA PRO 11 HA PRO 11 1.989 2.839 7.710
63 HB2 PRO 11 2HB PRO 11 4.080 2.601 9.402
64 HB3 PRO 11 1HB PRO 11 2.463 2.041 9.839
65 HG2 PRO 11 2HG PRO 11 4.823 0.459 8.908
66 HG3 PRO 11 1HG PRO 11 3.626 0.052 10.147
67 HD2 PRO 11 2HD PRO 11 3.603 -0.913 7.568
68 HD3 PRO 11 1HD PRO 11 2.179 -0.811 8.618
69 H VAL 12 H VAL 12 2.743 4.000 5.948
70 HA VAL 12 HA VAL 12 5.630 3.856 5.465
71 HB VAL 12 HB VAL 12 3.528 4.248 3.308
72 HG11 VAL 12 1HG1 VAL 12 5.406 4.122 1.729
73 HG12 VAL 12 2HG1 VAL 12 6.529 4.017 3.083
74 HG13 VAL 12 3HG1 VAL 12 5.577 5.481 2.841
75 HG21 VAL 12 1HG2 VAL 12 3.581 1.931 4.070
76 HG22 VAL 12 2HG2 VAL 12 5.327 1.882 3.824
77 HG23 VAL 12 3HG2 VAL 12 4.247 2.066 2.442
78 H TYR 13 H TYR 13 6.296 5.684 6.400
79 HA TYR 13 HA TYR 13 5.270 8.134 5.278
80 HB2 TYR 13 2HB TYR 13 4.088 7.782 7.469
81 HB3 TYR 13 1HB TYR 13 5.660 7.756 8.265
82 HD1 TYR 13 1HD TYR 13 6.903 9.824 8.617
83 HD2 TYR 13 2HD TYR 13 3.206 9.836 6.533
84 HE1 TYR 13 1HE TYR 13 6.831 12.260 8.770
85 HE2 TYR 13 2HE TYR 13 3.119 12.281 6.684
86 HH TYR 13 HH TYR 13 5.801 14.112 7.534
87 HA PRO 14 HA PRO 14 5.873 10.104 4.948
88 HB2 PRO 14 2HB PRO 14 7.909 10.924 3.003
89 HB3 PRO 14 1HB PRO 14 7.043 11.909 4.187
90 HG2 PRO 14 2HG PRO 14 9.671 11.368 4.454
91 HG3 PRO 14 1HG PRO 14 8.592 11.513 5.855
92 HD2 PRO 14 2HD PRO 14 9.576 9.038 4.471
93 HD3 PRO 14 1HD PRO 14 9.517 9.402 6.212
94 H CYS 15 H CYS 15 5.002 10.295 2.709
95 HA CYS 15 HA CYS 15 5.039 7.685 1.480
96 HB2 CYS 15 2HB CYS 15 2.872 8.602 1.787
97 HB3 CYS 15 1HB CYS 15 3.332 10.128 1.040
98 H LYS 16 H LYS 16 5.972 7.080 -0.204
99 HA LYS 16 HA LYS 16 6.599 8.874 -2.323
100 HB2 LYS 16 2HB LYS 16 8.675 8.402 -1.140
101 HB3 LYS 16 1HB LYS 16 8.281 6.677 -1.109
102 HG2 LYS 16 2HG LYS 16 9.989 7.188 -2.763
103 HG3 LYS 16 1HG LYS 16 8.508 6.603 -3.529
104 HD2 LYS 16 2HD LYS 16 7.819 8.836 -3.932
105 HD3 LYS 16 1HD LYS 16 9.290 9.471 -3.198
106 HE2 LYS 16 2HE LYS 16 10.643 8.264 -4.912
107 HE3 LYS 16 1HE LYS 16 9.151 7.716 -5.667
108 HZ1 LYS 16 1HZ LYS 16 10.062 10.531 -5.436
109 HZ2 LYS 16 2HZ LYS 16 8.601 10.038 -6.100
110 HZ3 LYS 16 3HZ LYS 16 10.055 9.581 -6.830
111 H GLU 17 H GLU 17 5.620 7.986 -4.011
112 HA GLU 17 HA GLU 17 3.887 5.861 -3.696
113 HB2 GLU 17 2HB GLU 17 3.696 5.884 -6.277
114 HB3 GLU 17 1HB GLU 17 3.150 7.256 -5.336
115 HG2 GLU 17 2HG GLU 17 4.273 7.977 -7.290
116 HG3 GLU 17 1HG GLU 17 5.221 8.442 -5.885
117 H LYS 18 H LYS 18 7.050 5.716 -5.182
118 HA LYS 18 HA LYS 18 6.929 2.981 -5.852
119 HB2 LYS 18 2HB LYS 18 8.646 4.481 -6.770
120 HB3 LYS 18 1HB LYS 18 9.360 4.652 -5.170
121 HG2 LYS 18 2HG LYS 18 9.831 2.231 -5.155
122 HG3 LYS 18 1HG LYS 18 9.194 2.122 -6.793
123 HD2 LYS 18 2HD LYS 18 10.923 3.631 -7.581
124 HD3 LYS 18 1HD LYS 18 11.545 3.795 -5.933
125 HE2 LYS 18 2HE LYS 18 11.962 1.356 -5.897
126 HE3 LYS 18 1HE LYS 18 11.428 1.267 -7.572
127 HZ1 LYS 18 1HZ LYS 18 13.272 2.744 -8.169
128 HZ2 LYS 18 2HZ LYS 18 13.811 1.339 -7.456
129 HZ3 LYS 18 3HZ LYS 18 13.795 2.758 -6.566
130 H ALA 19 H ALA 19 7.957 4.652 -2.926
131 HA ALA 19 HA ALA 19 9.006 2.424 -1.540
132 HB1 ALA 19 1HB ALA 19 9.422 4.788 -0.873
133 HB2 ALA 19 2HB ALA 19 8.854 3.779 0.454
134 HB3 ALA 19 3HB ALA 19 7.742 4.895 -0.324
135 H CYS 20 H CYS 20 5.870 3.979 -1.527
136 HA CYS 20 HA CYS 20 4.532 2.485 0.368
137 HB2 CYS 20 2HB CYS 20 3.707 4.559 -0.687
138 HB3 CYS 20 1HB CYS 20 3.464 3.687 -2.193
139 H LYS 21 H LYS 21 4.716 1.965 -3.135
140 HA LYS 21 HA LYS 21 3.241 -0.409 -3.217
141 HB2 LYS 21 2HB LYS 21 3.621 0.934 -5.180
142 HB3 LYS 21 1HB LYS 21 5.354 0.678 -5.075
143 HG2 LYS 21 2HG LYS 21 5.055 -1.672 -5.604
144 HG3 LYS 21 1HG LYS 21 3.302 -1.457 -5.629
145 HD2 LYS 21 2HD LYS 21 3.475 0.067 -7.494
146 HD3 LYS 21 1HD LYS 21 5.234 -0.004 -7.428
147 HE2 LYS 21 2HE LYS 21 5.184 -2.355 -8.008
148 HE3 LYS 21 1HE LYS 21 3.421 -2.343 -7.988
149 HZ1 LYS 21 1HZ LYS 21 5.087 -0.716 -9.834
150 HZ2 LYS 21 2HZ LYS 21 3.414 -0.849 -9.851
151 HZ3 LYS 21 3HZ LYS 21 4.373 -2.188 -10.222
152 H SER 22 H SER 22 6.726 0.166 -2.847
153 HA SER 22 HA SER 22 7.557 -2.503 -3.009
154 HB2 SER 22 2HB SER 22 9.117 -0.541 -3.099
155 HB3 SER 22 1HB SER 22 8.833 -0.286 -1.381
156 HG SER 22 HG SER 22 9.776 -2.272 -0.935
157 H VAL 23 H VAL 23 6.896 -0.477 -0.155
158 HA VAL 23 HA VAL 23 7.355 -2.412 1.782
159 HB VAL 23 HB VAL 23 5.448 -0.044 1.916
160 HG11 VAL 23 1HG1 VAL 23 5.694 -0.203 4.353
161 HG12 VAL 23 2HG1 VAL 23 6.661 -1.662 4.154
162 HG13 VAL 23 3HG1 VAL 23 4.964 -1.660 3.680
163 HG21 VAL 23 1HG2 VAL 23 7.296 1.105 3.040
164 HG22 VAL 23 2HG2 VAL 23 7.748 0.602 1.413
165 HG23 VAL 23 3HG2 VAL 23 8.316 -0.311 2.809
166 H CYS 24 H CYS 24 4.337 -1.575 0.128
167 HA CYS 24 HA CYS 24 2.723 -3.409 1.435
168 HB2 CYS 24 2HB CYS 24 2.537 -2.133 -1.261
169 HB3 CYS 24 1HB CYS 24 1.369 -3.358 -0.771
170 H LYS 25 H LYS 25 4.797 -3.957 -1.391
171 HA LYS 25 HA LYS 25 3.852 -6.650 -1.729
172 HB2 LYS 25 2HB LYS 25 6.304 -5.278 -2.823
173 HB3 LYS 25 1HB LYS 25 5.780 -6.901 -3.245
174 HG2 LYS 25 2HG LYS 25 3.692 -5.964 -4.157
175 HG3 LYS 25 1HG LYS 25 4.279 -4.343 -3.775
176 HD2 LYS 25 2HD LYS 25 4.655 -4.896 -6.135
177 HD3 LYS 25 1HD LYS 25 6.175 -4.663 -5.274
178 HE2 LYS 25 2HE LYS 25 6.465 -7.082 -5.089
179 HE3 LYS 25 1HE LYS 25 4.911 -7.348 -5.872
180 HZ1 LYS 25 1HZ LYS 25 7.344 -6.148 -7.060
181 HZ2 LYS 25 2HZ LYS 25 5.872 -6.262 -7.869
182 HZ3 LYS 25 3HZ LYS 25 6.699 -7.658 -7.407
183 H GLU 26 H GLU 26 6.250 -5.123 0.169
184 HA GLU 26 HA GLU 26 7.722 -7.519 0.639
185 HB2 GLU 26 2HB GLU 26 7.846 -4.825 2.005
186 HB3 GLU 26 1HB GLU 26 8.962 -6.149 2.325
187 HG2 GLU 26 2HG GLU 26 9.669 -6.120 -0.029
188 HG3 GLU 26 1HG GLU 26 8.560 -4.792 -0.334
189 H HIS 27 H HIS 27 5.144 -5.829 2.259
190 HA HIS 27 HA HIS 27 5.143 -7.741 4.448
191 HB2 HIS 27 2HB HIS 27 3.202 -5.515 3.764
192 HB3 HIS 27 1HB HIS 27 2.972 -6.606 5.119
193 HD1 HIS 27 1HD HIS 27 3.975 -5.816 7.295
194 HD2 HIS 27 2HD HIS 27 5.595 -3.959 3.977
195 HE1 HIS 27 1HE HIS 27 5.522 -4.026 8.195
196 H TYR 28 H TYR 28 3.161 -7.040 1.595
197 HA TYR 28 HA TYR 28 1.811 -9.613 1.981
198 HB2 TYR 28 2HB TYR 28 0.814 -7.107 0.598
199 HB3 TYR 28 1HB TYR 28 -0.062 -8.627 0.686
200 HD1 TYR 28 1HD TYR 28 1.132 -5.724 2.602
201 HD2 TYR 28 2HD TYR 28 -1.277 -9.227 2.674
202 HE1 TYR 28 1HE TYR 28 0.145 -4.970 4.685
203 HE2 TYR 28 2HE TYR 28 -2.294 -8.495 4.769
204 HH TYR 28 HH TYR 28 -1.907 -7.057 6.585
205 H HIS 29 H HIS 29 2.837 -10.978 0.667
206 HA HIS 29 HA HIS 29 4.294 -10.182 -1.598
207 HB2 HIS 29 2HB HIS 29 3.357 -12.933 -0.773
208 HB3 HIS 29 1HB HIS 29 4.416 -12.627 -2.143
209 HD1 HIS 29 1HD HIS 29 5.093 -14.217 0.661
210 HD2 HIS 29 2HD HIS 29 6.364 -10.447 -0.551
211 HE1 HIS 29 1HE HIS 29 7.232 -13.787 1.885
212 H HIS 30 H HIS 30 0.963 -10.795 -1.250
213 HA HIS 30 HA HIS 30 0.596 -11.246 -4.097
214 HB2 HIS 30 2HB HIS 30 -1.384 -11.136 -1.824
215 HB3 HIS 30 1HB HIS 30 -1.867 -11.241 -3.507
216 HD1 HIS 30 1HD HIS 30 -2.003 -13.519 -4.481
217 HD2 HIS 30 2HD HIS 30 0.177 -13.438 -0.955
218 HE1 HIS 30 1HE HIS 30 -1.540 -15.939 -3.879
219 H ALA 31 H ALA 31 1.226 -8.580 -2.370
220 HA ALA 31 HA ALA 31 -0.826 -6.880 -3.447
221 HB1 ALA 31 1HB ALA 31 0.429 -5.032 -2.460
222 HB2 ALA 31 2HB ALA 31 1.758 -6.128 -2.077
223 HB3 ALA 31 3HB ALA 31 0.192 -6.329 -1.290
224 H CYS 32 H CYS 32 -0.728 -5.653 -5.167
225 HA CYS 32 HA CYS 32 1.776 -5.494 -6.662
226 HB2 CYS 32 2HB CYS 32 0.292 -5.750 -8.770
227 HB3 CYS 32 1HB CYS 32 0.707 -7.202 -7.867
228 H LYS 33 H LYS 33 -0.516 -3.872 -5.085
229 HA LYS 33 HA LYS 33 0.045 -1.393 -6.440
230 HB2 LYS 33 2HB LYS 33 -2.015 -2.224 -7.502
231 HB3 LYS 33 1HB LYS 33 -2.767 -2.433 -5.939
232 HG2 LYS 33 2HG LYS 33 -3.598 -0.425 -6.994
233 HG3 LYS 33 1HG LYS 33 -2.602 0.034 -5.611
234 HD2 LYS 33 2HD LYS 33 -0.724 0.483 -7.082
235 HD3 LYS 33 1HD LYS 33 -1.668 -0.057 -8.468
236 HE2 LYS 33 2HE LYS 33 -3.240 1.783 -8.120
237 HE3 LYS 33 1HE LYS 33 -2.321 2.306 -6.714
238 HZ1 LYS 33 1HZ LYS 33 -0.450 2.782 -8.101
239 HZ2 LYS 33 2HZ LYS 33 -1.800 3.575 -8.754
240 HZ3 LYS 33 3HZ LYS 33 -1.225 2.164 -9.463
241 H GLY 34 H GLY 34 0.077 0.270 -4.962
242 HA2 GLY 34 2HA GLY 34 -1.002 -0.171 -2.323
243 HA3 GLY 34 1HA GLY 34 0.752 0.009 -2.432
244 H GLU 35 H GLU 35 -1.826 1.703 -1.674
245 HA GLU 35 HA GLU 35 -0.679 4.111 -2.893
246 HB2 GLU 35 2HB GLU 35 -3.625 3.586 -2.538
247 HB3 GLU 35 1HB GLU 35 -2.930 5.119 -3.031
248 HG2 GLU 35 2HG GLU 35 -1.922 3.892 -4.988
249 HG3 GLU 35 1HG GLU 35 -2.932 2.522 -4.530
250 H CYS 36 H CYS 36 -0.454 5.848 -1.672
251 HA CYS 36 HA CYS 36 -0.622 5.551 1.159
252 HB2 CYS 36 2HB CYS 36 -0.058 8.025 -0.498
253 HB3 CYS 36 1HB CYS 36 0.283 7.814 1.210
254 H GLU 37 H GLU 37 -2.650 5.532 1.931
255 HA GLU 37 HA GLU 37 -4.592 7.347 0.782
256 HB2 GLU 37 2HB GLU 37 -4.889 4.971 2.607
257 HB3 GLU 37 1HB GLU 37 -6.225 6.034 2.177
258 HG2 GLU 37 2HG GLU 37 -4.556 4.626 0.114
259 HG3 GLU 37 1HG GLU 37 -5.996 3.906 0.828
260 H TYR 38 H TYR 38 -4.770 9.201 1.633
261 HA TYR 38 HA TYR 38 -3.572 9.755 4.154
262 HB2 TYR 38 2HB TYR 38 -4.743 11.509 2.028
263 HB3 TYR 38 1HB TYR 38 -4.290 12.150 3.604
264 HD1 TYR 38 1HD TYR 38 -2.025 12.510 4.177
265 HD2 TYR 38 2HD TYR 38 -2.978 10.492 0.555
266 HE1 TYR 38 1HE TYR 38 0.304 12.697 3.475
267 HE2 TYR 38 2HE TYR 38 -0.650 10.667 -0.161
268 HH TYR 38 HH TYR 38 1.849 11.547 1.960
269 H HIS 39 H HIS 39 -4.565 9.139 5.775
270 HA HIS 39 HA HIS 39 -7.162 10.332 6.336
271 HB2 HIS 39 2HB HIS 39 -6.114 7.628 7.277
272 HB3 HIS 39 1HB HIS 39 -7.596 8.378 7.854
273 HD1 HIS 39 1HD HIS 39 -6.217 6.346 5.076
274 HD2 HIS 39 2HD HIS 39 -9.701 8.429 5.947
275 HE1 HIS 39 1HE HIS 39 -7.946 5.572 3.388
276 H GLY 40 H GLY 40 -6.448 12.044 7.441
277 HA2 GLY 40 2HA GLY 40 -5.694 13.073 9.367
278 HA3 GLY 40 1HA GLY 40 -4.897 11.572 9.842
279 H ARG 41 H ARG 41 -2.933 12.570 10.258
280 HA ARG 41 HA ARG 41 -1.656 13.942 8.024
281 HB2 ARG 41 2HB ARG 41 -0.803 13.664 10.901
282 HB3 ARG 41 1HB ARG 41 0.071 14.582 9.687
283 HG2 ARG 41 2HG ARG 41 -1.974 15.980 9.383
284 HG3 ARG 41 1HG ARG 41 -2.692 15.126 10.746
285 HD2 ARG 41 2HD ARG 41 -1.759 17.200 11.513
286 HD3 ARG 41 1HD ARG 41 -0.807 15.862 12.148
287 HE ARG 41 HE ARG 41 0.616 16.401 10.041
288 HH11 ARG 41 1HH1 ARG 41 -0.972 18.792 12.098
289 HH12 ARG 41 2HH1 ARG 41 0.287 19.922 12.033
290 HH21 ARG 41 1HH2 ARG 41 2.359 18.010 9.867
291 HH22 ARG 41 2HH2 ARG 41 2.197 19.486 10.667
292 H GLU 42 H GLU 42 -0.970 11.345 10.325
293 HA GLU 42 HA GLU 42 1.206 10.434 8.724
294 HB2 GLU 42 2HB GLU 42 -0.109 9.216 11.160
295 HB3 GLU 42 1HB GLU 42 1.323 8.559 10.371
296 HG2 GLU 42 2HG GLU 42 2.495 10.682 10.787
297 HG3 GLU 42 1HG GLU 42 1.076 11.271 11.644
298 H VAL 43 H VAL 43 0.794 9.689 6.914
299 HA VAL 43 HA VAL 43 -1.645 8.433 6.171
300 HB VAL 43 HB VAL 43 -0.427 9.995 4.708
301 HG11 VAL 43 1HG1 VAL 43 1.838 9.446 5.188
302 HG12 VAL 43 2HG1 VAL 43 1.548 9.257 3.457
303 HG13 VAL 43 3HG1 VAL 43 1.641 7.835 4.497
304 HG21 VAL 43 1HG2 VAL 43 -0.678 8.813 2.630
305 HG22 VAL 43 2HG2 VAL 43 -1.987 8.376 3.731
306 HG23 VAL 43 3HG2 VAL 43 -0.643 7.266 3.472
307 H HIS 44 H HIS 44 -1.924 6.339 5.340
308 HA HIS 44 HA HIS 44 0.151 4.382 6.007
309 HB2 HIS 44 2HB HIS 44 -2.862 4.113 6.264
310 HB3 HIS 44 1HB HIS 44 -1.745 2.772 6.378
311 HD1 HIS 44 1HD HIS 44 -2.787 2.363 8.784
312 HD2 HIS 44 2HD HIS 44 -0.728 5.940 8.341
313 HE1 HIS 44 1HE HIS 44 -2.349 3.192 11.103
314 H CYS 45 H CYS 45 0.220 2.650 4.513
315 HA CYS 45 HA CYS 45 -0.913 3.373 1.944
316 HB2 CYS 45 2HB CYS 45 1.350 1.596 2.754
317 HB3 CYS 45 1HB CYS 45 0.608 1.467 1.162
318 H HIS 46 H HIS 46 -2.532 2.372 1.161
319 HA HIS 46 HA HIS 46 -3.410 -0.046 2.465
320 HB2 HIS 46 2HB HIS 46 -4.713 1.758 0.416
321 HB3 HIS 46 1HB HIS 46 -5.415 0.229 0.927
322 HD1 HIS 46 1HD HIS 46 -7.316 2.309 1.551
323 HD2 HIS 46 2HD HIS 46 -4.055 1.684 4.062
324 HE1 HIS 46 1HE HIS 46 -7.935 3.315 3.746
325 H CYS 47 H CYS 47 -2.825 -1.861 1.739
326 HA CYS 47 HA CYS 47 -1.380 -1.995 -0.756
327 HB2 CYS 47 2HB CYS 47 -1.703 -4.021 1.452
328 HB3 CYS 47 1HB CYS 47 -0.520 -4.065 0.145
329 H TYR 48 H TYR 48 -2.240 -2.819 -2.502
330 HA TYR 48 HA TYR 48 -4.700 -4.374 -2.236
331 HB2 TYR 48 2HB TYR 48 -3.892 -2.491 -4.444
332 HB3 TYR 48 1HB TYR 48 -5.380 -3.430 -4.388
333 HD1 TYR 48 1HD TYR 48 -3.896 -0.322 -3.764
334 HD2 TYR 48 2HD TYR 48 -6.845 -2.973 -2.254
335 HE1 TYR 48 1HE TYR 48 -4.994 1.563 -2.610
336 HE2 TYR 48 2HE TYR 48 -7.948 -1.129 -1.100
337 HH TYR 48 HH TYR 48 -7.283 2.082 -1.769
338 H GLY 49 H GLY 49 -4.861 -6.167 -3.436
339 HA2 GLY 49 2HA GLY 49 -3.145 -6.782 -5.614
340 HA3 GLY 49 1HA GLY 49 -2.654 -7.630 -4.151
341 H ASP 50 H ASP 50 -3.255 -9.472 -5.614
342 HA ASP 50 HA ASP 50 -6.114 -10.016 -5.229
343 HB2 ASP 50 2HB ASP 50 -5.287 -9.824 -7.649
344 HB3 ASP 50 1HB ASP 50 -4.363 -11.289 -7.336
345 H TYR 51 H TYR 51 -6.264 -11.338 -3.564
346 HA TYR 51 HA TYR 51 -4.019 -13.103 -2.991
347 HB2 TYR 51 2HB TYR 51 -4.652 -11.509 -1.227
348 HB3 TYR 51 1HB TYR 51 -6.277 -12.181 -1.200
349 HD1 TYR 51 1HD TYR 51 -2.721 -12.910 -0.494
350 HD2 TYR 51 2HD TYR 51 -6.753 -14.141 0.048
351 HE1 TYR 51 1HE TYR 51 -1.991 -14.534 1.180
352 HE2 TYR 51 2HE TYR 51 -6.046 -15.765 1.711
353 HH TYR 51 HH TYR 51 -4.010 -17.011 2.309
354 H HIS 52 H HIS 52 -4.257 -15.123 -3.578
355 HA HIS 52 HA HIS 52 -6.684 -16.529 -3.105
356 HB2 HIS 52 2HB HIS 52 -6.993 -15.506 -5.406
357 HB3 HIS 52 1HB HIS 52 -5.549 -16.375 -5.916
358 HD1 HIS 52 1HD HIS 52 -5.800 -18.906 -6.379
359 HD2 HIS 52 2HD HIS 52 -9.244 -17.078 -4.955
360 HE1 HIS 52 1HE HIS 52 -7.650 -20.592 -6.681
Start of MODEL 16
1 H1 ALA 1 H ALA 1 -3.876 -10.090 -13.532
2 HA ALA 1 HA ALA 1 -3.624 -10.481 -11.059
3 HB1 ALA 1 1HB ALA 1 -1.190 -10.769 -11.145
4 HB2 ALA 1 2HB ALA 1 -1.656 -9.528 -9.981
5 HB3 ALA 1 3HB ALA 1 -1.008 -9.062 -11.552
6 H HIS 2 H HIS 2 -5.201 -9.133 -10.468
7 HA HIS 2 HA HIS 2 -4.934 -6.325 -11.235
8 HB2 HIS 2 2HB HIS 2 -7.376 -6.108 -10.945
9 HB3 HIS 2 1HB HIS 2 -6.982 -7.349 -12.119
10 HD1 HIS 2 1HD HIS 2 -7.392 -9.883 -11.280
11 HD2 HIS 2 2HD HIS 2 -8.926 -6.886 -8.850
12 HE1 HIS 2 1HE HIS 2 -9.065 -11.008 -9.769
13 H CYS 3 H CYS 3 -5.229 -4.716 -9.731
14 HA CYS 3 HA CYS 3 -4.896 -5.622 -6.962
15 HB2 CYS 3 2HB CYS 3 -4.018 -2.990 -8.141
16 HB3 CYS 3 1HB CYS 3 -3.570 -3.685 -6.592
17 H ASP 4 H ASP 4 -7.020 -5.519 -6.290
18 HA ASP 4 HA ASP 4 -8.119 -2.836 -6.191
19 HB2 ASP 4 2HB ASP 4 -9.101 -3.875 -8.224
20 HB3 ASP 4 1HB ASP 4 -9.801 -5.129 -7.202
21 H HIS 5 H HIS 5 -8.223 -6.155 -5.063
22 HA HIS 5 HA HIS 5 -10.038 -5.564 -2.945
23 HB2 HIS 5 2HB HIS 5 -9.844 -7.845 -3.890
24 HB3 HIS 5 1HB HIS 5 -8.174 -7.929 -3.352
25 HD1 HIS 5 1HD HIS 5 -7.855 -9.049 -1.128
26 HD2 HIS 5 2HD HIS 5 -11.716 -7.636 -1.639
27 HE1 HIS 5 1HE HIS 5 -9.130 -9.776 0.925
28 H PHE 6 H PHE 6 -9.565 -4.487 -1.175
29 HA PHE 6 HA PHE 6 -6.967 -3.657 -0.417
30 HB2 PHE 6 2HB PHE 6 -9.542 -3.752 1.186
31 HB3 PHE 6 1HB PHE 6 -8.062 -3.019 1.763
32 HD1 PHE 6 1HD PHE 6 -7.466 -0.780 1.117
33 HD2 PHE 6 2HD PHE 6 -10.796 -2.736 -0.715
34 HE1 PHE 6 1HE PHE 6 -8.218 1.353 0.190
35 HE2 PHE 6 2HE PHE 6 -11.534 -0.592 -1.648
36 HZ PHE 6 HZ PHE 6 -10.247 1.460 -1.190
37 H LEU 7 H LEU 7 -5.466 -4.870 0.474
38 HA LEU 7 HA LEU 7 -6.209 -7.373 1.785
39 HB2 LEU 7 2HB LEU 7 -3.466 -6.303 1.157
40 HB3 LEU 7 1HB LEU 7 -3.835 -7.910 1.732
41 HG LEU 7 HG LEU 7 -4.417 -6.736 -0.972
42 HD11 LEU 7 1HD1 LEU 7 -3.038 -8.612 -1.733
43 HD12 LEU 7 2HD1 LEU 7 -2.737 -9.045 -0.050
44 HD13 LEU 7 3HD1 LEU 7 -2.177 -7.495 -0.679
45 HD21 LEU 7 1HD2 LEU 7 -5.433 -8.876 -1.560
46 HD22 LEU 7 2HD2 LEU 7 -6.353 -8.050 -0.305
47 HD23 LEU 7 3HD2 LEU 7 -5.307 -9.406 0.116
48 H GLY 8 H GLY 8 -4.481 -4.349 2.441
49 HA2 GLY 8 2HA GLY 8 -5.196 -4.369 5.129
50 HA3 GLY 8 1HA GLY 8 -3.582 -5.044 4.965
51 H GLU 9 H GLU 9 -2.830 -3.339 6.175
52 HA GLU 9 HA GLU 9 -2.714 -0.718 4.846
53 HB2 GLU 9 2HB GLU 9 -4.431 -0.711 6.566
54 HB3 GLU 9 1HB GLU 9 -3.290 -1.365 7.724
55 HG2 GLU 9 2HG GLU 9 -1.960 0.709 7.486
56 HG3 GLU 9 1HG GLU 9 -3.249 1.354 6.464
57 H ALA 10 H ALA 10 -0.665 0.016 4.778
58 HA ALA 10 HA ALA 10 1.298 -1.074 6.675
59 HB1 ALA 10 1HB ALA 10 1.677 -2.000 4.435
60 HB2 ALA 10 2HB ALA 10 2.999 -0.940 4.933
61 HB3 ALA 10 3HB ALA 10 1.795 -0.363 3.780
62 HA PRO 11 HA PRO 11 2.114 3.279 7.376
63 HB2 PRO 11 2HB PRO 11 4.104 3.053 9.151
64 HB3 PRO 11 1HB PRO 11 2.455 2.560 9.555
65 HG2 PRO 11 2HG PRO 11 4.823 0.880 8.886
66 HG3 PRO 11 1HG PRO 11 3.480 0.530 9.987
67 HD2 PRO 11 2HD PRO 11 3.791 -0.398 7.347
68 HD3 PRO 11 1HD PRO 11 2.328 -0.497 8.345
69 H VAL 12 H VAL 12 3.030 4.411 5.695
70 HA VAL 12 HA VAL 12 5.915 4.070 5.235
71 HB VAL 12 HB VAL 12 3.897 4.578 3.027
72 HG11 VAL 12 1HG1 VAL 12 5.753 4.192 1.497
73 HG12 VAL 12 2HG1 VAL 12 6.828 3.917 2.863
74 HG13 VAL 12 3HG1 VAL 12 6.125 5.511 2.614
75 HG21 VAL 12 1HG2 VAL 12 4.388 2.284 2.244
76 HG22 VAL 12 2HG2 VAL 12 3.597 2.316 3.820
77 HG23 VAL 12 3HG2 VAL 12 5.330 2.021 3.713
78 H TYR 13 H TYR 13 6.659 5.990 6.086
79 HA TYR 13 HA TYR 13 5.486 8.422 4.980
80 HB2 TYR 13 2HB TYR 13 4.610 7.892 7.355
81 HB3 TYR 13 1HB TYR 13 6.238 8.270 7.901
82 HD1 TYR 13 1HD TYR 13 3.058 9.540 7.222
83 HD2 TYR 13 2HD TYR 13 7.145 10.672 7.154
84 HE1 TYR 13 1HE TYR 13 2.394 11.878 7.244
85 HE2 TYR 13 2HE TYR 13 6.493 13.042 7.191
86 HH TYR 13 HH TYR 13 3.372 14.011 7.954
87 HA PRO 14 HA PRO 14 6.011 10.225 4.252
88 HB2 PRO 14 2HB PRO 14 7.907 10.839 2.117
89 HB3 PRO 14 1HB PRO 14 7.059 11.956 3.189
90 HG2 PRO 14 2HG PRO 14 9.726 11.561 3.354
91 HG3 PRO 14 1HG PRO 14 8.731 11.912 4.779
92 HD2 PRO 14 2HD PRO 14 9.758 9.273 3.795
93 HD3 PRO 14 1HD PRO 14 9.739 9.923 5.451
94 H CYS 15 H CYS 15 4.740 9.647 2.482
95 HA CYS 15 HA CYS 15 5.403 7.028 1.442
96 HB2 CYS 15 2HB CYS 15 3.190 7.485 2.513
97 HB3 CYS 15 1HB CYS 15 2.806 8.536 1.152
98 H LYS 16 H LYS 16 5.613 6.515 -0.593
99 HA LYS 16 HA LYS 16 5.063 8.386 -2.730
100 HB2 LYS 16 2HB LYS 16 7.584 6.762 -2.343
101 HB3 LYS 16 1HB LYS 16 7.086 7.405 -3.899
102 HG2 LYS 16 2HG LYS 16 7.681 9.011 -1.454
103 HG3 LYS 16 1HG LYS 16 8.789 8.757 -2.820
104 HD2 LYS 16 2HD LYS 16 7.062 9.788 -4.294
105 HD3 LYS 16 1HD LYS 16 6.123 10.137 -2.837
106 HE2 LYS 16 2HE LYS 16 7.412 12.096 -3.549
107 HE3 LYS 16 1HE LYS 16 7.928 11.496 -1.975
108 HZ1 LYS 16 1HZ LYS 16 9.807 12.064 -3.412
109 HZ2 LYS 16 2HZ LYS 16 9.286 10.923 -4.539
110 HZ3 LYS 16 3HZ LYS 16 9.812 10.415 -3.032
111 H GLU 17 H GLU 17 4.606 7.201 -4.636
112 HA GLU 17 HA GLU 17 2.961 5.043 -4.033
113 HB2 GLU 17 2HB GLU 17 2.375 6.476 -5.802
114 HB3 GLU 17 1HB GLU 17 3.875 6.165 -6.659
115 HG2 GLU 17 2HG GLU 17 3.236 3.937 -7.080
116 HG3 GLU 17 1HG GLU 17 1.794 4.117 -6.073
117 H LYS 18 H LYS 18 6.093 5.070 -5.707
118 HA LYS 18 HA LYS 18 6.103 2.268 -6.115
119 HB2 LYS 18 2HB LYS 18 7.559 3.777 -7.412
120 HB3 LYS 18 1HB LYS 18 8.461 4.154 -5.959
121 HG2 LYS 18 2HG LYS 18 9.165 1.817 -5.786
122 HG3 LYS 18 1HG LYS 18 8.280 1.453 -7.268
123 HD2 LYS 18 2HD LYS 18 9.687 3.021 -8.497
124 HD3 LYS 18 1HD LYS 18 10.552 3.412 -7.009
125 HE2 LYS 18 2HE LYS 18 11.303 1.106 -6.824
126 HE3 LYS 18 1HE LYS 18 10.421 0.690 -8.293
127 HZ1 LYS 18 1HZ LYS 18 12.649 2.638 -8.127
128 HZ2 LYS 18 2HZ LYS 18 11.842 2.167 -9.539
129 HZ3 LYS 18 3HZ LYS 18 12.773 1.053 -8.689
130 H ALA 19 H ALA 19 7.383 4.319 -3.568
131 HA ALA 19 HA ALA 19 8.661 2.353 -2.038
132 HB1 ALA 19 1HB ALA 19 8.437 3.905 -0.153
133 HB2 ALA 19 2HB ALA 19 7.274 4.858 -1.072
134 HB3 ALA 19 3HB ALA 19 8.950 4.752 -1.613
135 H CYS 20 H CYS 20 5.367 3.604 -1.911
136 HA CYS 20 HA CYS 20 4.371 2.068 0.177
137 HB2 CYS 20 2HB CYS 20 3.277 4.053 -0.860
138 HB3 CYS 20 1HB CYS 20 2.932 3.088 -2.286
139 H LYS 21 H LYS 21 4.336 1.492 -3.324
140 HA LYS 21 HA LYS 21 3.065 -0.973 -3.475
141 HB2 LYS 21 2HB LYS 21 3.632 0.450 -5.385
142 HB3 LYS 21 1HB LYS 21 5.336 0.165 -5.105
143 HG2 LYS 21 2HG LYS 21 4.951 -2.239 -5.632
144 HG3 LYS 21 1HG LYS 21 3.288 -1.820 -6.069
145 HD2 LYS 21 2HD LYS 21 4.130 -0.217 -7.718
146 HD3 LYS 21 1HD LYS 21 5.780 -0.642 -7.291
147 HE2 LYS 21 2HE LYS 21 5.196 -1.796 -9.313
148 HE3 LYS 21 1HE LYS 21 5.322 -2.964 -8.000
149 HZ1 LYS 21 1HZ LYS 21 3.406 -3.386 -9.396
150 HZ2 LYS 21 2HZ LYS 21 2.777 -1.869 -9.106
151 HZ3 LYS 21 3HZ LYS 21 2.877 -2.993 -7.862
152 H SER 22 H SER 22 6.484 -0.200 -3.060
153 HA SER 22 HA SER 22 7.495 -2.803 -3.033
154 HB2 SER 22 2HB SER 22 8.746 -0.683 -3.474
155 HB3 SER 22 1HB SER 22 8.625 -0.296 -1.766
156 HG SER 22 HG SER 22 9.976 -1.863 -1.282
157 H VAL 23 H VAL 23 6.567 -0.605 -0.360
158 HA VAL 23 HA VAL 23 7.235 -2.376 1.734
159 HB VAL 23 HB VAL 23 5.245 -0.074 1.706
160 HG11 VAL 23 1HG1 VAL 23 4.725 -1.597 3.536
161 HG12 VAL 23 2HG1 VAL 23 5.440 -0.114 4.172
162 HG13 VAL 23 3HG1 VAL 23 6.409 -1.582 4.044
163 HG21 VAL 23 1HG2 VAL 23 7.042 1.162 2.826
164 HG22 VAL 23 2HG2 VAL 23 7.544 0.581 1.240
165 HG23 VAL 23 3HG2 VAL 23 8.082 -0.254 2.698
166 H CYS 24 H CYS 24 4.256 -1.852 -0.057
167 HA CYS 24 HA CYS 24 2.674 -3.640 1.341
168 HB2 CYS 24 2HB CYS 24 2.581 -2.786 -1.545
169 HB3 CYS 24 1HB CYS 24 1.391 -3.876 -0.843
170 H LYS 25 H LYS 25 5.009 -4.264 -1.255
171 HA LYS 25 HA LYS 25 4.421 -7.016 -1.573
172 HB2 LYS 25 2HB LYS 25 7.058 -5.579 -1.953
173 HB3 LYS 25 1HB LYS 25 6.748 -7.221 -2.468
174 HG2 LYS 25 2HG LYS 25 5.443 -4.717 -3.526
175 HG3 LYS 25 1HG LYS 25 6.654 -5.699 -4.344
176 HD2 LYS 25 2HD LYS 25 3.836 -6.524 -3.627
177 HD3 LYS 25 1HD LYS 25 4.443 -6.157 -5.234
178 HE2 LYS 25 2HE LYS 25 5.964 -8.098 -5.091
179 HE3 LYS 25 1HE LYS 25 5.338 -8.451 -3.481
180 HZ1 LYS 25 1HZ LYS 25 4.220 -9.852 -5.050
181 HZ2 LYS 25 2HZ LYS 25 3.847 -8.568 -6.041
182 HZ3 LYS 25 3HZ LYS 25 3.100 -8.701 -4.543
183 H GLU 26 H GLU 26 6.503 -5.268 0.625
184 HA GLU 26 HA GLU 26 7.832 -7.465 1.768
185 HB2 GLU 26 2HB GLU 26 7.235 -4.738 2.883
186 HB3 GLU 26 1HB GLU 26 8.223 -5.922 3.714
187 HG2 GLU 26 2HG GLU 26 9.791 -5.904 1.827
188 HG3 GLU 26 1HG GLU 26 8.796 -4.679 1.038
189 H HIS 27 H HIS 27 4.936 -5.740 2.778
190 HA HIS 27 HA HIS 27 4.607 -7.516 5.031
191 HB2 HIS 27 2HB HIS 27 2.875 -5.251 4.041
192 HB3 HIS 27 1HB HIS 27 2.461 -6.243 5.431
193 HD1 HIS 27 1HD HIS 27 3.463 -5.523 7.658
194 HD2 HIS 27 2HD HIS 27 5.283 -3.710 4.393
195 HE1 HIS 27 1HE HIS 27 5.004 -3.772 8.611
196 H TYR 28 H TYR 28 3.072 -7.133 1.868
197 HA TYR 28 HA TYR 28 1.564 -9.584 2.433
198 HB2 TYR 28 2HB TYR 28 0.623 -7.219 0.804
199 HB3 TYR 28 1HB TYR 28 -0.300 -8.682 1.118
200 HD1 TYR 28 1HD TYR 28 -1.208 -9.063 3.430
201 HD2 TYR 28 2HD TYR 28 0.709 -5.422 2.345
202 HE1 TYR 28 1HE TYR 28 -2.178 -7.971 5.392
203 HE2 TYR 28 2HE TYR 28 -0.247 -4.320 4.313
204 HH TYR 28 HH TYR 28 -1.679 -6.003 6.862
205 H HIS 29 H HIS 29 2.406 -11.087 1.141
206 HA HIS 29 HA HIS 29 4.113 -10.596 -1.038
207 HB2 HIS 29 2HB HIS 29 2.560 -13.101 -0.376
208 HB3 HIS 29 1HB HIS 29 3.810 -13.004 -1.605
209 HD1 HIS 29 1HD HIS 29 3.493 -14.360 1.540
210 HD2 HIS 29 2HD HIS 29 6.246 -11.714 -0.101
211 HE1 HIS 29 1HE HIS 29 5.593 -14.580 2.931
212 H HIS 30 H HIS 30 0.667 -11.154 -0.908
213 HA HIS 30 HA HIS 30 0.547 -11.249 -3.800
214 HB2 HIS 30 2HB HIS 30 -1.546 -11.749 -1.708
215 HB3 HIS 30 1HB HIS 30 -1.947 -11.608 -3.418
216 HD1 HIS 30 1HD HIS 30 -1.098 -13.510 -5.001
217 HD2 HIS 30 2HD HIS 30 -0.246 -14.073 -0.971
218 HE1 HIS 30 1HE HIS 30 -0.315 -15.890 -4.779
219 H ALA 31 H ALA 31 0.882 -8.791 -1.862
220 HA ALA 31 HA ALA 31 -1.164 -7.084 -2.981
221 HB1 ALA 31 1HB ALA 31 1.314 -6.419 -1.378
222 HB2 ALA 31 2HB ALA 31 -0.347 -6.512 -0.766
223 HB3 ALA 31 3HB ALA 31 0.104 -5.254 -1.909
224 H CYS 32 H CYS 32 -0.867 -5.743 -4.643
225 HA CYS 32 HA CYS 32 1.714 -5.957 -6.010
226 HB2 CYS 32 2HB CYS 32 0.313 -5.750 -8.148
227 HB3 CYS 32 1HB CYS 32 0.285 -7.292 -7.295
228 H LYS 33 H LYS 33 -0.915 -3.882 -5.036
229 HA LYS 33 HA LYS 33 0.692 -1.599 -5.870
230 HB2 LYS 33 2HB LYS 33 -1.033 -2.069 -7.635
231 HB3 LYS 33 1HB LYS 33 -2.270 -1.836 -6.414
232 HG2 LYS 33 2HG LYS 33 -2.053 0.145 -7.768
233 HG3 LYS 33 1HG LYS 33 -1.522 0.489 -6.122
234 HD2 LYS 33 2HD LYS 33 0.798 0.292 -6.777
235 HD3 LYS 33 1HD LYS 33 0.327 -0.197 -8.404
236 HE2 LYS 33 2HE LYS 33 1.027 2.131 -8.343
237 HE3 LYS 33 1HE LYS 33 -0.674 2.001 -8.770
238 HZ1 LYS 33 1HZ LYS 33 -0.067 3.764 -7.176
239 HZ2 LYS 33 2HZ LYS 33 0.175 2.611 -5.955
240 HZ3 LYS 33 3HZ LYS 33 -1.321 2.819 -6.679
241 H GLY 34 H GLY 34 0.408 0.198 -4.539
242 HA2 GLY 34 2HA GLY 34 -1.536 -0.054 -2.388
243 HA3 GLY 34 1HA GLY 34 0.155 0.298 -2.022
244 H GLU 35 H GLU 35 -2.220 1.933 -1.600
245 HA GLU 35 HA GLU 35 -1.320 4.288 -3.142
246 HB2 GLU 35 2HB GLU 35 -4.125 3.661 -2.201
247 HB3 GLU 35 1HB GLU 35 -3.626 5.249 -2.745
248 HG2 GLU 35 2HG GLU 35 -3.628 2.738 -4.412
249 HG3 GLU 35 1HG GLU 35 -4.832 4.024 -4.470
250 H CYS 36 H CYS 36 -1.067 6.195 -2.041
251 HA CYS 36 HA CYS 36 -0.596 5.942 0.803
252 HB2 CYS 36 2HB CYS 36 -0.245 8.356 -1.000
253 HB3 CYS 36 1HB CYS 36 0.420 8.150 0.609
254 H GLU 37 H GLU 37 -2.503 6.044 1.945
255 HA GLU 37 HA GLU 37 -4.519 7.949 1.125
256 HB2 GLU 37 2HB GLU 37 -4.538 5.714 3.145
257 HB3 GLU 37 1HB GLU 37 -5.875 6.841 2.955
258 HG2 GLU 37 2HG GLU 37 -4.809 5.172 0.696
259 HG3 GLU 37 1HG GLU 37 -6.103 4.636 1.764
260 H TYR 38 H TYR 38 -4.327 9.901 1.846
261 HA TYR 38 HA TYR 38 -2.858 10.409 4.273
262 HB2 TYR 38 2HB TYR 38 -3.882 12.244 2.122
263 HB3 TYR 38 1HB TYR 38 -3.163 12.841 3.611
264 HD1 TYR 38 1HD TYR 38 -2.493 10.976 0.494
265 HD2 TYR 38 2HD TYR 38 -0.804 12.753 3.965
266 HE1 TYR 38 1HE TYR 38 -0.263 10.774 -0.496
267 HE2 TYR 38 2HE TYR 38 1.428 12.551 2.990
268 HH TYR 38 HH TYR 38 2.586 11.213 1.291
269 H HIS 39 H HIS 39 -3.944 10.054 5.978
270 HA HIS 39 HA HIS 39 -6.269 11.679 6.564
271 HB2 HIS 39 2HB HIS 39 -7.186 9.496 5.790
272 HB3 HIS 39 1HB HIS 39 -6.171 8.661 6.951
273 HD1 HIS 39 1HD HIS 39 -8.128 7.604 8.261
274 HD2 HIS 39 2HD HIS 39 -8.358 11.750 7.981
275 HE1 HIS 39 1HE HIS 39 -9.976 8.299 9.815
276 H GLY 40 H GLY 40 -5.499 12.791 8.236
277 HA2 GLY 40 2HA GLY 40 -4.790 13.050 10.447
278 HA3 GLY 40 1HA GLY 40 -4.276 11.363 10.459
279 H ARG 41 H ARG 41 -2.273 12.169 11.423
280 HA ARG 41 HA ARG 41 -0.607 13.689 9.600
281 HB2 ARG 41 2HB ARG 41 -0.099 12.731 12.416
282 HB3 ARG 41 1HB ARG 41 1.108 13.555 11.451
283 HG2 ARG 41 2HG ARG 41 -0.380 15.517 11.288
284 HG3 ARG 41 1HG ARG 41 -1.549 14.691 12.317
285 HD2 ARG 41 2HD ARG 41 -0.157 16.282 13.579
286 HD3 ARG 41 1HD ARG 41 0.062 14.628 14.141
287 HE ARG 41 HE ARG 41 1.965 15.255 12.168
288 HH11 ARG 41 1HH1 ARG 41 1.271 16.028 15.574
289 HH12 ARG 41 2HH1 ARG 41 2.907 16.217 15.999
290 HH21 ARG 41 1HH2 ARG 41 4.233 15.540 12.808
291 HH22 ARG 41 2HH2 ARG 41 4.583 15.930 14.430
292 H GLU 42 H GLU 42 -1.171 10.480 10.492
293 HA GLU 42 HA GLU 42 1.309 9.478 9.320
294 HB2 GLU 42 2HB GLU 42 0.350 8.376 11.331
295 HB3 GLU 42 1HB GLU 42 -1.128 8.055 10.442
296 HG2 GLU 42 2HG GLU 42 0.131 6.035 10.539
297 HG3 GLU 42 1HG GLU 42 0.198 6.632 8.883
298 H VAL 43 H VAL 43 1.271 8.315 7.338
299 HA VAL 43 HA VAL 43 -1.255 8.567 5.923
300 HB VAL 43 HB VAL 43 0.354 10.015 4.787
301 HG11 VAL 43 1HG1 VAL 43 2.069 7.592 4.490
302 HG12 VAL 43 2HG1 VAL 43 2.417 8.998 5.503
303 HG13 VAL 43 3HG1 VAL 43 2.368 9.158 3.743
304 HG21 VAL 43 1HG2 VAL 43 -1.221 8.851 3.362
305 HG22 VAL 43 2HG2 VAL 43 -0.090 7.508 3.186
306 HG23 VAL 43 3HG2 VAL 43 0.317 9.099 2.538
307 H HIS 44 H HIS 44 -2.187 6.860 5.214
308 HA HIS 44 HA HIS 44 -0.948 4.358 6.048
309 HB2 HIS 44 2HB HIS 44 -3.831 5.098 5.575
310 HB3 HIS 44 1HB HIS 44 -3.289 3.485 5.989
311 HD1 HIS 44 1HD HIS 44 -4.375 3.290 8.315
312 HD2 HIS 44 2HD HIS 44 -2.060 6.718 7.881
313 HE1 HIS 44 1HE HIS 44 -4.261 4.341 10.576
314 H CYS 45 H CYS 45 -0.238 3.046 4.570
315 HA CYS 45 HA CYS 45 -1.081 3.343 1.831
316 HB2 CYS 45 2HB CYS 45 1.064 1.847 3.222
317 HB3 CYS 45 1HB CYS 45 0.475 1.211 1.692
318 H HIS 46 H HIS 46 -2.879 2.435 1.245
319 HA HIS 46 HA HIS 46 -3.557 -0.055 2.522
320 HB2 HIS 46 2HB HIS 46 -5.178 1.721 0.674
321 HB3 HIS 46 1HB HIS 46 -5.734 0.171 1.304
322 HD1 HIS 46 1HD HIS 46 -7.054 3.051 1.980
323 HD2 HIS 46 2HD HIS 46 -4.514 0.828 4.404
324 HE1 HIS 46 1HE HIS 46 -7.452 3.850 4.320
325 H CYS 47 H CYS 47 -3.103 -1.811 1.683
326 HA CYS 47 HA CYS 47 -1.812 -1.832 -0.924
327 HB2 CYS 47 2HB CYS 47 -1.880 -3.946 1.228
328 HB3 CYS 47 1HB CYS 47 -0.872 -3.954 -0.213
329 H TYR 48 H TYR 48 -2.680 -2.751 -2.606
330 HA TYR 48 HA TYR 48 -5.202 -4.232 -2.333
331 HB2 TYR 48 2HB TYR 48 -4.007 -2.815 -4.723
332 HB3 TYR 48 1HB TYR 48 -5.595 -3.562 -4.647
333 HD1 TYR 48 1HD TYR 48 -7.400 -2.464 -3.378
334 HD2 TYR 48 2HD TYR 48 -3.585 -0.641 -3.828
335 HE1 TYR 48 1HE TYR 48 -8.349 -0.320 -2.717
336 HE2 TYR 48 2HE TYR 48 -4.539 1.518 -3.158
337 HH TYR 48 HH TYR 48 -6.730 2.652 -3.099
338 H GLY 49 H GLY 49 -5.274 -6.280 -3.272
339 HA2 GLY 49 2HA GLY 49 -3.398 -7.129 -5.200
340 HA3 GLY 49 1HA GLY 49 -2.931 -7.710 -3.611
341 H ASP 50 H ASP 50 -3.318 -9.598 -5.215
342 HA ASP 50 HA ASP 50 -6.037 -10.585 -4.759
343 HB2 ASP 50 2HB ASP 50 -5.886 -10.015 -7.099
344 HB3 ASP 50 1HB ASP 50 -4.371 -10.896 -7.252
345 H TYR 51 H TYR 51 -5.922 -12.235 -3.425
346 HA TYR 51 HA TYR 51 -3.533 -13.748 -3.091
347 HB2 TYR 51 2HB TYR 51 -6.258 -13.908 -1.872
348 HB3 TYR 51 1HB TYR 51 -5.144 -15.254 -1.688
349 HD1 TYR 51 1HD TYR 51 -2.947 -14.863 -0.584
350 HD2 TYR 51 2HD TYR 51 -6.038 -11.945 -0.534
351 HE1 TYR 51 1HE TYR 51 -1.855 -13.759 1.294
352 HE2 TYR 51 2HE TYR 51 -4.937 -10.831 1.369
353 HH TYR 51 HH TYR 51 -3.358 -11.418 3.172
354 H HIS 52 H HIS 52 -2.887 -15.137 -4.445
355 HA HIS 52 HA HIS 52 -4.743 -16.604 -6.086
356 HB2 HIS 52 2HB HIS 52 -2.675 -15.829 -7.156
357 HB3 HIS 52 1HB HIS 52 -1.715 -16.676 -5.957
358 HD1 HIS 52 1HD HIS 52 -1.011 -19.014 -6.564
359 HD2 HIS 52 2HD HIS 52 -4.234 -17.671 -8.811
360 HE1 HIS 52 1HE HIS 52 -1.453 -20.797 -8.256
Start of MODEL 17
1 H1 ALA 1 H ALA 1 -0.120 -7.104 -12.926
2 HA ALA 1 HA ALA 1 -2.485 -7.791 -13.065
3 HB1 ALA 1 1HB ALA 1 -1.066 -9.155 -11.593
4 HB2 ALA 1 2HB ALA 1 -2.708 -9.033 -10.962
5 HB3 ALA 1 3HB ALA 1 -1.416 -8.066 -10.250
6 H HIS 2 H HIS 2 -4.581 -7.724 -11.812
7 HA HIS 2 HA HIS 2 -5.079 -4.974 -11.129
8 HB2 HIS 2 2HB HIS 2 -6.945 -7.303 -11.551
9 HB3 HIS 2 1HB HIS 2 -7.505 -5.771 -10.891
10 HD1 HIS 2 1HD HIS 2 -7.569 -3.734 -12.520
11 HD2 HIS 2 2HD HIS 2 -6.370 -7.308 -14.249
12 HE1 HIS 2 1HE HIS 2 -7.583 -3.327 -14.994
13 H CYS 3 H CYS 3 -4.483 -4.399 -9.269
14 HA CYS 3 HA CYS 3 -5.248 -6.034 -6.984
15 HB2 CYS 3 2HB CYS 3 -3.007 -4.048 -7.331
16 HB3 CYS 3 1HB CYS 3 -3.437 -4.800 -5.797
17 H ASP 4 H ASP 4 -7.221 -5.265 -6.579
18 HA ASP 4 HA ASP 4 -7.472 -2.352 -6.212
19 HB2 ASP 4 2HB ASP 4 -8.800 -3.151 -8.088
20 HB3 ASP 4 1HB ASP 4 -9.574 -4.347 -7.059
21 H HIS 5 H HIS 5 -7.807 -5.433 -4.713
22 HA HIS 5 HA HIS 5 -9.579 -4.464 -2.625
23 HB2 HIS 5 2HB HIS 5 -8.256 -7.158 -2.990
24 HB3 HIS 5 1HB HIS 5 -9.465 -6.766 -1.778
25 HD1 HIS 5 1HD HIS 5 -9.111 -8.044 -5.182
26 HD2 HIS 5 2HD HIS 5 -12.048 -6.127 -2.956
27 HE1 HIS 5 1HE HIS 5 -11.279 -8.450 -6.398
28 H PHE 6 H PHE 6 -8.920 -3.866 -0.606
29 HA PHE 6 HA PHE 6 -6.173 -3.442 -0.018
30 HB2 PHE 6 2HB PHE 6 -8.540 -3.511 1.874
31 HB3 PHE 6 1HB PHE 6 -6.927 -3.011 2.326
32 HD1 PHE 6 1HD PHE 6 -5.962 -0.926 0.995
33 HD2 PHE 6 2HD PHE 6 -10.103 -1.968 1.220
34 HE1 PHE 6 1HE PHE 6 -6.588 1.391 0.494
35 HE2 PHE 6 2HE PHE 6 -10.706 0.353 0.701
36 HZ PHE 6 HZ PHE 6 -8.947 2.032 0.342
37 H LEU 7 H LEU 7 -4.718 -4.759 0.819
38 HA LEU 7 HA LEU 7 -5.547 -7.375 1.915
39 HB2 LEU 7 2HB LEU 7 -2.778 -6.397 1.258
40 HB3 LEU 7 1HB LEU 7 -3.235 -8.037 1.636
41 HG LEU 7 HG LEU 7 -3.787 -6.482 -0.868
42 HD11 LEU 7 1HD1 LEU 7 -2.551 -8.251 -1.921
43 HD12 LEU 7 2HD1 LEU 7 -2.479 -9.136 -0.402
44 HD13 LEU 7 3HD1 LEU 7 -1.620 -7.611 -0.562
45 HD21 LEU 7 1HD2 LEU 7 -5.057 -8.394 -1.654
46 HD22 LEU 7 2HD2 LEU 7 -5.824 -7.652 -0.252
47 HD23 LEU 7 3HD2 LEU 7 -4.901 -9.150 -0.072
48 H GLY 8 H GLY 8 -4.369 -4.331 2.689
49 HA2 GLY 8 2HA GLY 8 -4.609 -4.185 5.292
50 HA3 GLY 8 1HA GLY 8 -3.092 -5.073 5.141
51 H GLU 9 H GLU 9 -2.540 -2.891 6.238
52 HA GLU 9 HA GLU 9 -1.633 -1.175 4.057
53 HB2 GLU 9 2HB GLU 9 -1.757 0.740 5.629
54 HB3 GLU 9 1HB GLU 9 -3.323 0.007 5.310
55 HG2 GLU 9 2HG GLU 9 -3.255 -1.134 7.427
56 HG3 GLU 9 1HG GLU 9 -1.641 -0.484 7.722
57 H ALA 10 H ALA 10 0.378 -0.063 4.524
58 HA ALA 10 HA ALA 10 2.076 -1.647 6.305
59 HB1 ALA 10 1HB ALA 10 2.533 -2.174 3.956
60 HB2 ALA 10 2HB ALA 10 3.900 -1.367 4.726
61 HB3 ALA 10 3HB ALA 10 2.846 -0.464 3.636
62 HA PRO 11 HA PRO 11 2.933 2.325 8.055
63 HB2 PRO 11 2HB PRO 11 4.819 1.541 9.837
64 HB3 PRO 11 1HB PRO 11 3.097 1.220 10.067
65 HG2 PRO 11 2HG PRO 11 5.254 -0.600 9.100
66 HG3 PRO 11 1HG PRO 11 3.892 -0.967 10.168
67 HD2 PRO 11 2HD PRO 11 3.976 -1.579 7.497
68 HD3 PRO 11 1HD PRO 11 2.478 -1.332 8.413
69 H VAL 12 H VAL 12 3.911 3.537 6.425
70 HA VAL 12 HA VAL 12 6.786 3.639 6.542
71 HB VAL 12 HB VAL 12 6.900 4.019 4.108
72 HG11 VAL 12 1HG1 VAL 12 5.896 1.279 4.877
73 HG12 VAL 12 2HG1 VAL 12 7.573 1.831 4.908
74 HG13 VAL 12 3HG1 VAL 12 6.722 1.658 3.370
75 HG21 VAL 12 1HG2 VAL 12 5.105 3.203 2.625
76 HG22 VAL 12 2HG2 VAL 12 4.618 4.583 3.611
77 HG23 VAL 12 3HG2 VAL 12 4.092 2.957 4.049
78 H TYR 13 H TYR 13 7.539 5.702 6.410
79 HA TYR 13 HA TYR 13 6.055 7.812 5.224
80 HB2 TYR 13 2HB TYR 13 4.993 7.709 7.506
81 HB3 TYR 13 1HB TYR 13 6.578 8.001 8.215
82 HD1 TYR 13 1HD TYR 13 7.266 10.216 8.609
83 HD2 TYR 13 2HD TYR 13 4.144 9.480 5.816
84 HE1 TYR 13 1HE TYR 13 6.919 12.623 8.371
85 HE2 TYR 13 2HE TYR 13 3.797 11.883 5.563
86 HH TYR 13 HH TYR 13 5.994 14.173 6.742
87 HA PRO 14 HA PRO 14 6.483 9.950 4.569
88 HB2 PRO 14 2HB PRO 14 8.147 10.250 2.187
89 HB3 PRO 14 1HB PRO 14 7.460 11.489 3.247
90 HG2 PRO 14 2HG PRO 14 10.124 10.944 3.143
91 HG3 PRO 14 1HG PRO 14 9.312 11.558 4.590
92 HD2 PRO 14 2HD PRO 14 10.154 8.768 3.931
93 HD3 PRO 14 1HD PRO 14 10.235 9.632 5.477
94 H CYS 15 H CYS 15 4.990 9.349 3.054
95 HA CYS 15 HA CYS 15 5.405 6.646 2.058
96 HB2 CYS 15 2HB CYS 15 3.497 7.182 3.653
97 HB3 CYS 15 1HB CYS 15 2.782 8.115 2.347
98 H LYS 16 H LYS 16 6.186 6.756 0.066
99 HA LYS 16 HA LYS 16 4.715 8.380 -1.871
100 HB2 LYS 16 2HB LYS 16 7.617 7.585 -1.818
101 HB3 LYS 16 1HB LYS 16 6.827 7.946 -3.334
102 HG2 LYS 16 2HG LYS 16 8.075 9.874 -2.527
103 HG3 LYS 16 1HG LYS 16 6.354 10.221 -2.576
104 HD2 LYS 16 2HD LYS 16 6.250 9.832 -0.141
105 HD3 LYS 16 1HD LYS 16 7.988 9.546 -0.121
106 HE2 LYS 16 2HE LYS 16 7.538 11.824 0.570
107 HE3 LYS 16 1HE LYS 16 8.343 11.828 -0.997
108 HZ1 LYS 16 1HZ LYS 16 6.525 13.407 -0.964
109 HZ2 LYS 16 2HZ LYS 16 5.435 12.207 -0.528
110 HZ3 LYS 16 3HZ LYS 16 6.157 12.160 -2.037
111 H GLU 17 H GLU 17 4.278 7.397 -3.887
112 HA GLU 17 HA GLU 17 3.127 4.918 -3.591
113 HB2 GLU 17 2HB GLU 17 2.746 4.908 -6.020
114 HB3 GLU 17 1HB GLU 17 2.331 6.441 -5.275
115 HG2 GLU 17 2HG GLU 17 4.389 7.427 -6.111
116 HG3 GLU 17 1HG GLU 17 4.869 5.874 -6.792
117 H LYS 18 H LYS 18 6.304 5.615 -4.975
118 HA LYS 18 HA LYS 18 6.678 2.974 -5.956
119 HB2 LYS 18 2HB LYS 18 8.755 5.064 -5.308
120 HB3 LYS 18 1HB LYS 18 9.049 3.589 -6.219
121 HG2 LYS 18 2HG LYS 18 7.236 5.855 -7.035
122 HG3 LYS 18 1HG LYS 18 8.819 5.469 -7.718
123 HD2 LYS 18 2HD LYS 18 7.959 3.318 -8.497
124 HD3 LYS 18 1HD LYS 18 6.393 3.684 -7.786
125 HE2 LYS 18 2HE LYS 18 6.144 5.588 -9.262
126 HE3 LYS 18 1HE LYS 18 7.722 5.260 -9.976
127 HZ1 LYS 18 1HZ LYS 18 5.947 4.336 -11.343
128 HZ2 LYS 18 2HZ LYS 18 5.387 3.432 -10.032
129 HZ3 LYS 18 3HZ LYS 18 6.878 3.095 -10.686
130 H ALA 19 H ALA 19 7.763 4.557 -2.998
131 HA ALA 19 HA ALA 19 9.086 2.322 -1.927
132 HB1 ALA 19 1HB ALA 19 7.682 4.575 -0.489
133 HB2 ALA 19 2HB ALA 19 9.377 4.562 -0.997
134 HB3 ALA 19 3HB ALA 19 8.814 3.438 0.240
135 H CYS 20 H CYS 20 5.805 3.540 -1.533
136 HA CYS 20 HA CYS 20 4.789 1.652 0.231
137 HB2 CYS 20 2HB CYS 20 3.632 3.726 -0.314
138 HB3 CYS 20 1HB CYS 20 3.417 3.200 -1.976
139 H LYS 21 H LYS 21 4.673 1.674 -3.324
140 HA LYS 21 HA LYS 21 3.283 -0.696 -3.711
141 HB2 LYS 21 2HB LYS 21 3.681 1.072 -5.375
142 HB3 LYS 21 1HB LYS 21 5.365 0.602 -5.451
143 HG2 LYS 21 2HG LYS 21 4.759 -1.526 -6.411
144 HG3 LYS 21 1HG LYS 21 3.041 -1.135 -6.240
145 HD2 LYS 21 2HD LYS 21 3.376 0.839 -7.663
146 HD3 LYS 21 1HD LYS 21 5.060 0.375 -7.880
147 HE2 LYS 21 2HE LYS 21 4.359 -1.684 -8.971
148 HE3 LYS 21 1HE LYS 21 2.667 -1.259 -8.698
149 HZ1 LYS 21 1HZ LYS 21 3.351 -0.697 -10.944
150 HZ2 LYS 21 2HZ LYS 21 4.584 0.295 -10.352
151 HZ3 LYS 21 3HZ LYS 21 2.987 0.701 -10.083
152 H SER 22 H SER 22 6.760 -0.096 -3.321
153 HA SER 22 HA SER 22 7.493 -2.762 -3.936
154 HB2 SER 22 2HB SER 22 9.069 -0.814 -4.072
155 HB3 SER 22 1HB SER 22 9.059 -0.735 -2.311
156 HG SER 22 HG SER 22 10.043 -2.719 -2.202
157 H VAL 23 H VAL 23 7.065 -0.972 -0.907
158 HA VAL 23 HA VAL 23 7.683 -3.033 0.863
159 HB VAL 23 HB VAL 23 5.900 -0.602 1.229
160 HG11 VAL 23 1HG1 VAL 23 7.006 -2.432 3.355
161 HG12 VAL 23 2HG1 VAL 23 5.309 -2.285 2.901
162 HG13 VAL 23 3HG1 VAL 23 6.148 -0.918 3.637
163 HG21 VAL 23 1HG2 VAL 23 8.208 -0.093 0.730
164 HG22 VAL 23 2HG2 VAL 23 8.745 -1.171 2.018
165 HG23 VAL 23 3HG2 VAL 23 7.855 0.295 2.414
166 H CYS 24 H CYS 24 4.590 -2.120 -0.575
167 HA CYS 24 HA CYS 24 3.036 -3.977 0.762
168 HB2 CYS 24 2HB CYS 24 2.714 -2.712 -1.936
169 HB3 CYS 24 1HB CYS 24 1.529 -3.845 -1.283
170 H LYS 25 H LYS 25 4.894 -4.393 -2.220
171 HA LYS 25 HA LYS 25 3.927 -7.054 -2.609
172 HB2 LYS 25 2HB LYS 25 6.349 -5.686 -3.804
173 HB3 LYS 25 1HB LYS 25 5.675 -7.221 -4.343
174 HG2 LYS 25 2HG LYS 25 3.578 -6.083 -4.913
175 HG3 LYS 25 1HG LYS 25 4.285 -4.552 -4.416
176 HD2 LYS 25 2HD LYS 25 4.395 -4.728 -6.821
177 HD3 LYS 25 1HD LYS 25 6.026 -4.842 -6.159
178 HE2 LYS 25 2HE LYS 25 6.007 -7.250 -6.435
179 HE3 LYS 25 1HE LYS 25 4.326 -7.205 -6.963
180 HZ1 LYS 25 1HZ LYS 25 6.628 -5.985 -8.406
181 HZ2 LYS 25 2HZ LYS 25 5.015 -5.943 -8.902
182 HZ3 LYS 25 3HZ LYS 25 5.816 -7.406 -8.825
183 H GLU 26 H GLU 26 6.453 -5.648 -0.790
184 HA GLU 26 HA GLU 26 7.988 -8.023 -0.333
185 HB2 GLU 26 2HB GLU 26 7.879 -5.366 1.114
186 HB3 GLU 26 1HB GLU 26 8.999 -6.650 1.538
187 HG2 GLU 26 2HG GLU 26 10.095 -6.480 -0.586
188 HG3 GLU 26 1HG GLU 26 8.862 -5.371 -1.179
189 H HIS 27 H HIS 27 5.564 -6.232 1.517
190 HA HIS 27 HA HIS 27 5.593 -8.147 3.672
191 HB2 HIS 27 2HB HIS 27 3.836 -5.735 3.172
192 HB3 HIS 27 1HB HIS 27 3.649 -6.783 4.565
193 HD1 HIS 27 1HD HIS 27 4.562 -5.521 6.567
194 HD2 HIS 27 2HD HIS 27 6.852 -4.923 3.145
195 HE1 HIS 27 1HE HIS 27 6.424 -4.011 7.246
196 H TYR 28 H TYR 28 3.534 -7.522 0.884
197 HA TYR 28 HA TYR 28 1.898 -9.852 1.602
198 HB2 TYR 28 2HB TYR 28 0.978 -7.372 0.103
199 HB3 TYR 28 1HB TYR 28 -0.026 -8.722 0.601
200 HD1 TYR 28 1HD TYR 28 1.866 -5.792 1.792
201 HD2 TYR 28 2HD TYR 28 -1.015 -8.744 2.807
202 HE1 TYR 28 1HE TYR 28 1.348 -4.556 3.831
203 HE2 TYR 28 2HE TYR 28 -1.552 -7.507 4.865
204 HH TYR 28 HH TYR 28 -0.366 -4.322 5.506
205 H HIS 29 H HIS 29 2.442 -11.388 0.117
206 HA HIS 29 HA HIS 29 3.775 -10.591 -2.275
207 HB2 HIS 29 2HB HIS 29 3.111 -13.315 -1.199
208 HB3 HIS 29 1HB HIS 29 3.841 -13.089 -2.788
209 HD1 HIS 29 1HD HIS 29 4.714 -13.234 0.809
210 HD2 HIS 29 2HD HIS 29 6.391 -11.856 -2.732
211 HE1 HIS 29 1HE HIS 29 7.139 -12.828 1.304
212 H HIS 30 H HIS 30 0.529 -11.196 -1.573
213 HA HIS 30 HA HIS 30 -0.068 -11.532 -4.397
214 HB2 HIS 30 2HB HIS 30 -1.875 -11.571 -1.981
215 HB3 HIS 30 1HB HIS 30 -2.500 -11.568 -3.624
216 HD1 HIS 30 1HD HIS 30 -2.122 -13.761 -5.048
217 HD2 HIS 30 2HD HIS 30 -0.805 -13.964 -1.099
218 HE1 HIS 30 1HE HIS 30 -1.680 -16.194 -4.585
219 H ALA 31 H ALA 31 0.890 -9.055 -2.780
220 HA ALA 31 HA ALA 31 -1.060 -7.135 -3.801
221 HB1 ALA 31 1HB ALA 31 0.289 -5.459 -2.618
222 HB2 ALA 31 2HB ALA 31 1.412 -6.720 -2.110
223 HB3 ALA 31 3HB ALA 31 -0.249 -6.724 -1.520
224 H CYS 32 H CYS 32 -0.590 -5.899 -5.489
225 HA CYS 32 HA CYS 32 2.153 -6.100 -6.542
226 HB2 CYS 32 2HB CYS 32 1.329 -6.015 -8.794
227 HB3 CYS 32 1HB CYS 32 0.505 -7.318 -7.944
228 H LYS 33 H LYS 33 -0.392 -4.085 -5.510
229 HA LYS 33 HA LYS 33 1.114 -1.754 -6.341
230 HB2 LYS 33 2HB LYS 33 -0.611 -2.029 -8.035
231 HB3 LYS 33 1HB LYS 33 -1.841 -2.160 -6.790
232 HG2 LYS 33 2HG LYS 33 -1.473 0.147 -6.139
233 HG3 LYS 33 1HG LYS 33 -0.162 0.285 -7.313
234 HD2 LYS 33 2HD LYS 33 -1.696 -0.078 -9.131
235 HD3 LYS 33 1HD LYS 33 -3.023 -0.362 -8.008
236 HE2 LYS 33 2HE LYS 33 -1.483 2.221 -8.295
237 HE3 LYS 33 1HE LYS 33 -3.062 1.907 -8.996
238 HZ1 LYS 33 1HZ LYS 33 -3.213 3.162 -6.939
239 HZ2 LYS 33 2HZ LYS 33 -2.444 1.964 -6.087
240 HZ3 LYS 33 3HZ LYS 33 -3.981 1.674 -6.762
241 H GLY 34 H GLY 34 1.254 -0.269 -4.846
242 HA2 GLY 34 2HA GLY 34 -0.551 -0.400 -2.550
243 HA3 GLY 34 1HA GLY 34 1.184 -0.085 -2.384
244 H GLU 35 H GLU 35 -1.084 1.677 -1.749
245 HA GLU 35 HA GLU 35 -0.181 3.941 -3.372
246 HB2 GLU 35 2HB GLU 35 -2.371 2.896 -4.245
247 HB3 GLU 35 1HB GLU 35 -3.099 3.530 -2.767
248 HG2 GLU 35 2HG GLU 35 -3.522 5.032 -4.570
249 HG3 GLU 35 1HG GLU 35 -2.376 5.788 -3.459
250 H CYS 36 H CYS 36 -0.028 5.772 -2.152
251 HA CYS 36 HA CYS 36 -0.528 5.486 0.680
252 HB2 CYS 36 2HB CYS 36 0.773 7.724 -0.883
253 HB3 CYS 36 1HB CYS 36 0.691 7.616 0.873
254 H GLU 37 H GLU 37 -2.257 6.230 1.621
255 HA GLU 37 HA GLU 37 -3.852 8.254 0.221
256 HB2 GLU 37 2HB GLU 37 -4.977 5.807 1.605
257 HB3 GLU 37 1HB GLU 37 -5.913 7.089 0.858
258 HG2 GLU 37 2HG GLU 37 -4.874 6.465 -1.332
259 HG3 GLU 37 1HG GLU 37 -4.137 5.087 -0.520
260 H TYR 38 H TYR 38 -4.879 9.687 1.516
261 HA TYR 38 HA TYR 38 -3.847 9.916 4.203
262 HB2 TYR 38 2HB TYR 38 -5.602 11.718 2.529
263 HB3 TYR 38 1HB TYR 38 -5.155 12.079 4.191
264 HD1 TYR 38 1HD TYR 38 -2.934 12.746 4.748
265 HD2 TYR 38 2HD TYR 38 -3.936 11.848 0.728
266 HE1 TYR 38 1HE TYR 38 -0.881 13.823 4.015
267 HE2 TYR 38 2HE TYR 38 -1.862 12.914 -0.031
268 HH TYR 38 HH TYR 38 -0.298 14.670 0.845
269 H HIS 39 H HIS 39 -4.794 8.603 5.588
270 HA HIS 39 HA HIS 39 -7.715 8.421 5.488
271 HB2 HIS 39 2HB HIS 39 -6.545 6.321 4.852
272 HB3 HIS 39 1HB HIS 39 -5.742 6.316 6.412
273 HD1 HIS 39 1HD HIS 39 -9.033 5.511 4.767
274 HD2 HIS 39 2HD HIS 39 -7.353 5.541 8.572
275 HE1 HIS 39 1HE HIS 39 -10.563 4.161 6.198
276 H GLY 40 H GLY 40 -8.288 9.886 6.957
277 HA2 GLY 40 2HA GLY 40 -8.874 10.443 9.115
278 HA3 GLY 40 1HA GLY 40 -7.710 9.268 9.715
279 H ARG 41 H ARG 41 -5.739 9.915 10.283
280 HA ARG 41 HA ARG 41 -5.293 12.815 10.425
281 HB2 ARG 41 2HB ARG 41 -3.891 10.550 11.852
282 HB3 ARG 41 1HB ARG 41 -3.666 12.262 12.153
283 HG2 ARG 41 2HG ARG 41 -6.273 10.833 12.542
284 HG3 ARG 41 1HG ARG 41 -5.068 11.032 13.815
285 HD2 ARG 41 2HD ARG 41 -5.262 13.471 13.577
286 HD3 ARG 41 1HD ARG 41 -6.481 13.240 12.327
287 HE ARG 41 HE ARG 41 -7.941 12.321 13.948
288 HH11 ARG 41 1HH1 ARG 41 -5.035 13.749 15.389
289 HH12 ARG 41 2HH1 ARG 41 -5.768 14.071 16.889
290 HH21 ARG 41 1HH2 ARG 41 -8.925 12.729 16.018
291 HH22 ARG 41 2HH2 ARG 41 -8.041 13.473 17.268
292 H GLU 42 H GLU 42 -3.546 9.806 9.799
293 HA GLU 42 HA GLU 42 -1.281 11.263 8.666
294 HB2 GLU 42 2HB GLU 42 -1.617 8.410 9.575
295 HB3 GLU 42 1HB GLU 42 -0.124 9.112 8.979
296 HG2 GLU 42 2HG GLU 42 -1.593 10.071 11.426
297 HG3 GLU 42 1HG GLU 42 -0.259 8.922 11.455
298 H VAL 43 H VAL 43 -0.215 10.202 6.809
299 HA VAL 43 HA VAL 43 -2.145 9.038 4.951
300 HB VAL 43 HB VAL 43 -0.772 11.030 4.153
301 HG11 VAL 43 1HG1 VAL 43 1.324 10.571 5.297
302 HG12 VAL 43 2HG1 VAL 43 1.567 10.713 3.546
303 HG13 VAL 43 3HG1 VAL 43 1.521 9.120 4.305
304 HG21 VAL 43 1HG2 VAL 43 -0.313 8.458 2.656
305 HG22 VAL 43 2HG2 VAL 43 -0.127 10.077 1.979
306 HG23 VAL 43 3HG2 VAL 43 -1.714 9.521 2.513
307 H HIS 44 H HIS 44 -1.867 6.924 4.266
308 HA HIS 44 HA HIS 44 0.557 5.641 5.183
309 HB2 HIS 44 2HB HIS 44 -1.856 5.344 6.584
310 HB3 HIS 44 1HB HIS 44 -1.623 3.839 5.696
311 HD1 HIS 44 1HD HIS 44 -1.108 2.615 8.018
312 HD2 HIS 44 2HD HIS 44 1.550 5.642 6.975
313 HE1 HIS 44 1HE HIS 44 0.881 2.360 9.532
314 H CYS 45 H CYS 45 0.843 3.515 4.383
315 HA CYS 45 HA CYS 45 0.339 3.478 1.552
316 HB2 CYS 45 2HB CYS 45 2.571 3.119 2.407
317 HB3 CYS 45 1HB CYS 45 2.004 1.814 3.437
318 H HIS 46 H HIS 46 -1.508 2.470 0.873
319 HA HIS 46 HA HIS 46 -2.486 0.247 2.462
320 HB2 HIS 46 2HB HIS 46 -3.838 1.949 0.359
321 HB3 HIS 46 1HB HIS 46 -4.576 0.558 1.142
322 HD1 HIS 46 1HD HIS 46 -5.741 3.455 1.341
323 HD2 HIS 46 2HD HIS 46 -3.290 1.659 4.162
324 HE1 HIS 46 1HE HIS 46 -6.284 4.572 3.543
325 H CYS 47 H CYS 47 -2.309 -1.718 1.716
326 HA CYS 47 HA CYS 47 -1.018 -2.061 -0.859
327 HB2 CYS 47 2HB CYS 47 -1.402 -3.976 1.438
328 HB3 CYS 47 1HB CYS 47 -0.447 -4.271 -0.013
329 H TYR 48 H TYR 48 -2.036 -2.875 -2.545
330 HA TYR 48 HA TYR 48 -4.706 -4.010 -2.116
331 HB2 TYR 48 2HB TYR 48 -3.556 -2.738 -4.587
332 HB3 TYR 48 1HB TYR 48 -5.193 -3.328 -4.383
333 HD1 TYR 48 1HD TYR 48 -6.738 -2.093 -2.830
334 HD2 TYR 48 2HD TYR 48 -2.919 -0.606 -3.934
335 HE1 TYR 48 1HE TYR 48 -7.439 0.159 -2.182
336 HE2 TYR 48 2HE TYR 48 -3.601 1.641 -3.273
337 HH TYR 48 HH TYR 48 -6.171 2.470 -1.450
338 H GLY 49 H GLY 49 -5.238 -5.852 -3.188
339 HA2 GLY 49 2HA GLY 49 -3.924 -7.076 -5.290
340 HA3 GLY 49 1HA GLY 49 -3.223 -7.731 -3.814
341 H ASP 50 H ASP 50 -4.070 -9.740 -3.886
342 HA ASP 50 HA ASP 50 -7.010 -9.948 -3.772
343 HB2 ASP 50 2HB ASP 50 -6.050 -11.204 -5.659
344 HB3 ASP 50 1HB ASP 50 -4.964 -12.036 -4.549
345 H TYR 51 H TYR 51 -7.845 -10.634 -1.855
346 HA TYR 51 HA TYR 51 -5.862 -11.551 0.054
347 HB2 TYR 51 2HB TYR 51 -7.243 -10.684 1.874
348 HB3 TYR 51 1HB TYR 51 -6.779 -9.411 0.770
349 HD1 TYR 51 1HD TYR 51 -8.444 -8.037 -0.217
350 HD2 TYR 51 2HD TYR 51 -9.594 -11.586 1.815
351 HE1 TYR 51 1HE TYR 51 -10.792 -7.307 -0.267
352 HE2 TYR 51 2HE TYR 51 -11.926 -10.879 1.766
353 HH TYR 51 HH TYR 51 -13.225 -8.870 1.579
354 H HIS 52 H HIS 52 -6.262 -13.123 1.386
355 HA HIS 52 HA HIS 52 -8.657 -14.507 1.650
356 HB2 HIS 52 2HB HIS 52 -7.780 -16.729 0.697
357 HB3 HIS 52 1HB HIS 52 -8.253 -15.536 -0.498
358 HD1 HIS 52 1HD HIS 52 -6.420 -14.811 -2.208
359 HD2 HIS 52 2HD HIS 52 -4.988 -17.137 0.939
360 HE1 HIS 52 1HE HIS 52 -4.087 -15.441 -2.830
Start of MODEL 18
1 H1 ALA 1 H ALA 1 -3.568 -10.596 -12.867
2 HA ALA 1 HA ALA 1 -4.183 -10.381 -10.205
3 HB1 ALA 1 1HB ALA 1 -1.905 -10.181 -11.108
4 HB2 ALA 1 2HB ALA 1 -2.270 -8.884 -9.968
5 HB3 ALA 1 3HB ALA 1 -2.291 -8.566 -11.701
6 H HIS 2 H HIS 2 -5.965 -9.450 -9.462
7 HA HIS 2 HA HIS 2 -6.697 -6.811 -10.414
8 HB2 HIS 2 2HB HIS 2 -8.149 -9.010 -9.103
9 HB3 HIS 2 1HB HIS 2 -8.620 -7.385 -8.620
10 HD1 HIS 2 1HD HIS 2 -10.338 -6.359 -10.026
11 HD2 HIS 2 2HD HIS 2 -8.162 -9.224 -12.091
12 HE1 HIS 2 1HE HIS 2 -11.408 -6.533 -12.286
13 H CYS 3 H CYS 3 -6.838 -5.070 -9.180
14 HA CYS 3 HA CYS 3 -5.634 -5.286 -6.524
15 HB2 CYS 3 2HB CYS 3 -5.418 -2.971 -8.458
16 HB3 CYS 3 1HB CYS 3 -4.654 -3.081 -6.882
17 H ASP 4 H ASP 4 -7.947 -5.662 -6.059
18 HA ASP 4 HA ASP 4 -9.414 -3.108 -5.917
19 HB2 ASP 4 2HB ASP 4 -10.505 -5.875 -6.378
20 HB3 ASP 4 1HB ASP 4 -11.508 -4.525 -5.878
21 H HIS 5 H HIS 5 -8.835 -6.191 -4.333
22 HA HIS 5 HA HIS 5 -10.259 -5.311 -1.995
23 HB2 HIS 5 2HB HIS 5 -10.301 -7.702 -2.781
24 HB3 HIS 5 1HB HIS 5 -8.602 -7.819 -2.334
25 HD1 HIS 5 1HD HIS 5 -8.079 -8.158 0.193
26 HD2 HIS 5 2HD HIS 5 -12.082 -7.434 -0.628
27 HE1 HIS 5 1HE HIS 5 -9.315 -8.570 2.344
28 H PHE 6 H PHE 6 -9.394 -4.572 -0.158
29 HA PHE 6 HA PHE 6 -6.611 -3.829 -0.213
30 HB2 PHE 6 2HB PHE 6 -8.785 -3.271 1.810
31 HB3 PHE 6 1HB PHE 6 -7.146 -2.648 1.900
32 HD1 PHE 6 1HD PHE 6 -6.366 -0.987 0.217
33 HD2 PHE 6 2HD PHE 6 -10.426 -2.268 0.432
34 HE1 PHE 6 1HE PHE 6 -7.062 0.972 -1.074
35 HE2 PHE 6 2HE PHE 6 -11.116 -0.306 -0.866
36 HZ PHE 6 HZ PHE 6 -9.441 1.316 -1.619
37 H LEU 7 H LEU 7 -5.195 -5.139 0.506
38 HA LEU 7 HA LEU 7 -5.793 -7.459 2.101
39 HB2 LEU 7 2HB LEU 7 -3.144 -6.232 1.346
40 HB3 LEU 7 1HB LEU 7 -3.364 -7.817 2.055
41 HG LEU 7 HG LEU 7 -4.360 -6.981 -0.667
42 HD11 LEU 7 1HD1 LEU 7 -2.014 -8.648 0.187
43 HD12 LEU 7 2HD1 LEU 7 -1.971 -7.085 -0.649
44 HD13 LEU 7 3HD1 LEU 7 -2.600 -8.514 -1.464
45 HD21 LEU 7 1HD2 LEU 7 -4.320 -9.671 0.702
46 HD22 LEU 7 2HD2 LEU 7 -4.785 -9.375 -0.971
47 HD23 LEU 7 3HD2 LEU 7 -5.756 -8.711 0.339
48 H GLY 8 H GLY 8 -4.480 -4.277 2.575
49 HA2 GLY 8 2HA GLY 8 -5.183 -3.884 5.126
50 HA3 GLY 8 1HA GLY 8 -3.639 -4.723 5.246
51 H GLU 9 H GLU 9 -3.399 -2.376 6.245
52 HA GLU 9 HA GLU 9 -2.370 -0.713 4.099
53 HB2 GLU 9 2HB GLU 9 -2.522 1.173 5.657
54 HB3 GLU 9 1HB GLU 9 -4.081 0.402 5.476
55 HG2 GLU 9 2HG GLU 9 -2.229 -0.050 7.818
56 HG3 GLU 9 1HG GLU 9 -3.524 1.137 7.799
57 H ALA 10 H ALA 10 -0.284 -0.025 4.195
58 HA ALA 10 HA ALA 10 1.386 -1.232 6.286
59 HB1 ALA 10 1HB ALA 10 1.702 -2.377 4.139
60 HB2 ALA 10 2HB ALA 10 3.149 -1.497 4.636
61 HB3 ALA 10 3HB ALA 10 2.103 -0.831 3.379
62 HA PRO 11 HA PRO 11 2.640 3.022 6.795
63 HB2 PRO 11 2HB PRO 11 4.495 2.615 8.712
64 HB3 PRO 11 1HB PRO 11 2.765 2.494 9.052
65 HG2 PRO 11 2HG PRO 11 4.767 0.325 8.579
66 HG3 PRO 11 1HG PRO 11 3.440 0.386 9.756
67 HD2 PRO 11 2HD PRO 11 3.355 -0.961 7.365
68 HD3 PRO 11 1HD PRO 11 1.921 -0.369 8.222
69 H VAL 12 H VAL 12 4.235 4.284 5.907
70 HA VAL 12 HA VAL 12 6.755 3.037 5.131
71 HB VAL 12 HB VAL 12 5.209 2.793 3.205
72 HG11 VAL 12 1HG1 VAL 12 4.508 4.779 1.943
73 HG12 VAL 12 2HG1 VAL 12 5.061 5.798 3.281
74 HG13 VAL 12 3HG1 VAL 12 3.753 4.629 3.522
75 HG21 VAL 12 1HG2 VAL 12 7.437 4.772 2.715
76 HG22 VAL 12 2HG2 VAL 12 6.649 3.794 1.476
77 HG23 VAL 12 3HG2 VAL 12 7.592 3.016 2.748
78 H TYR 13 H TYR 13 8.466 4.459 5.105
79 HA TYR 13 HA TYR 13 7.953 7.271 5.020
80 HB2 TYR 13 2HB TYR 13 7.954 6.887 7.442
81 HB3 TYR 13 1HB TYR 13 9.464 5.996 7.327
82 HD1 TYR 13 1HD TYR 13 11.560 7.117 7.269
83 HD2 TYR 13 2HD TYR 13 7.957 9.371 7.099
84 HE1 TYR 13 1HE TYR 13 12.839 9.163 7.637
85 HE2 TYR 13 2HE TYR 13 9.226 11.432 7.469
86 HH TYR 13 HH TYR 13 11.454 12.057 8.520
87 HA PRO 14 HA PRO 14 8.657 8.869 4.273
88 HB2 PRO 14 2HB PRO 14 9.677 9.826 1.778
89 HB3 PRO 14 1HB PRO 14 9.962 10.496 3.384
90 HG2 PRO 14 2HG PRO 14 11.908 9.322 1.815
91 HG3 PRO 14 1HG PRO 14 11.990 9.481 3.578
92 HD2 PRO 14 2HD PRO 14 11.190 7.118 1.923
93 HD3 PRO 14 1HD PRO 14 12.181 7.178 3.398
94 H CYS 15 H CYS 15 6.909 9.510 2.810
95 HA CYS 15 HA CYS 15 6.011 7.283 1.287
96 HB2 CYS 15 2HB CYS 15 4.264 8.297 2.484
97 HB3 CYS 15 1HB CYS 15 4.681 9.917 1.955
98 H LYS 16 H LYS 16 7.325 7.035 -0.313
99 HA LYS 16 HA LYS 16 6.852 8.802 -2.610
100 HB2 LYS 16 2HB LYS 16 9.256 7.285 -1.730
101 HB3 LYS 16 1HB LYS 16 8.866 7.142 -3.432
102 HG2 LYS 16 2HG LYS 16 10.498 8.890 -3.091
103 HG3 LYS 16 1HG LYS 16 8.986 9.577 -3.661
104 HD2 LYS 16 2HD LYS 16 8.448 10.229 -1.336
105 HD3 LYS 16 1HD LYS 16 10.012 9.589 -0.819
106 HE2 LYS 16 2HE LYS 16 11.156 11.156 -2.300
107 HE3 LYS 16 1HE LYS 16 9.605 11.783 -2.849
108 HZ1 LYS 16 1HZ LYS 16 10.699 11.980 -0.091
109 HZ2 LYS 16 2HZ LYS 16 9.186 12.543 -0.572
110 HZ3 LYS 16 3HZ LYS 16 10.580 13.213 -1.215
111 H GLU 17 H GLU 17 6.052 7.709 -4.450
112 HA GLU 17 HA GLU 17 4.252 5.641 -3.843
113 HB2 GLU 17 2HB GLU 17 5.248 6.453 -6.566
114 HB3 GLU 17 1HB GLU 17 3.793 5.532 -6.225
115 HG2 GLU 17 2HG GLU 17 2.915 7.466 -4.975
116 HG3 GLU 17 1HG GLU 17 4.345 8.377 -5.463
117 H LYS 18 H LYS 18 7.338 5.589 -5.482
118 HA LYS 18 HA LYS 18 7.390 2.881 -6.227
119 HB2 LYS 18 2HB LYS 18 9.711 4.663 -5.478
120 HB3 LYS 18 1HB LYS 18 9.839 3.142 -6.349
121 HG2 LYS 18 2HG LYS 18 8.598 4.068 -8.207
122 HG3 LYS 18 1HG LYS 18 8.363 5.577 -7.334
123 HD2 LYS 18 2HD LYS 18 10.822 5.874 -7.277
124 HD3 LYS 18 1HD LYS 18 10.993 4.405 -8.231
125 HE2 LYS 18 2HE LYS 18 9.712 5.409 -10.043
126 HE3 LYS 18 1HE LYS 18 9.494 6.877 -9.090
127 HZ1 LYS 18 1HZ LYS 18 12.084 5.794 -10.056
128 HZ2 LYS 18 2HZ LYS 18 11.893 7.171 -9.107
129 HZ3 LYS 18 3HZ LYS 18 11.279 7.147 -10.659
130 H ALA 19 H ALA 19 8.652 4.489 -3.351
131 HA ALA 19 HA ALA 19 9.595 2.161 -2.021
132 HB1 ALA 19 1HB ALA 19 9.712 3.577 -0.034
133 HB2 ALA 19 2HB ALA 19 8.708 4.791 -0.812
134 HB3 ALA 19 3HB ALA 19 10.327 4.457 -1.435
135 H CYS 20 H CYS 20 6.603 3.967 -1.900
136 HA CYS 20 HA CYS 20 5.272 2.656 0.138
137 HB2 CYS 20 2HB CYS 20 4.463 4.726 -0.827
138 HB3 CYS 20 1HB CYS 20 4.211 3.940 -2.378
139 H LYS 21 H LYS 21 5.052 2.005 -3.377
140 HA LYS 21 HA LYS 21 3.417 -0.252 -3.233
141 HB2 LYS 21 2HB LYS 21 3.908 1.024 -5.294
142 HB3 LYS 21 1HB LYS 21 5.554 0.419 -5.268
143 HG2 LYS 21 2HG LYS 21 4.745 -1.850 -5.635
144 HG3 LYS 21 1HG LYS 21 3.077 -1.273 -5.600
145 HD2 LYS 21 2HD LYS 21 3.574 0.178 -7.545
146 HD3 LYS 21 1HD LYS 21 5.203 -0.483 -7.593
147 HE2 LYS 21 2HE LYS 21 2.678 -2.109 -7.901
148 HE3 LYS 21 1HE LYS 21 3.661 -1.523 -9.239
149 HZ1 LYS 21 1HZ LYS 21 4.151 -3.830 -8.674
150 HZ2 LYS 21 2HZ LYS 21 4.630 -3.380 -7.123
151 HZ3 LYS 21 3HZ LYS 21 5.491 -2.852 -8.454
152 H SER 22 H SER 22 6.882 0.118 -3.018
153 HA SER 22 HA SER 22 7.537 -2.617 -3.101
154 HB2 SER 22 2HB SER 22 9.037 -0.259 -1.981
155 HB3 SER 22 1HB SER 22 9.751 -1.841 -2.278
156 HG SER 22 HG SER 22 8.815 0.095 -4.049
157 H VAL 23 H VAL 23 7.335 -0.372 -0.306
158 HA VAL 23 HA VAL 23 7.761 -2.305 1.683
159 HB VAL 23 HB VAL 23 6.309 0.367 1.826
160 HG11 VAL 23 1HG1 VAL 23 6.650 0.263 4.254
161 HG12 VAL 23 2HG1 VAL 23 7.288 -1.374 4.085
162 HG13 VAL 23 3HG1 VAL 23 5.602 -1.043 3.696
163 HG21 VAL 23 1HG2 VAL 23 9.109 -0.458 2.563
164 HG22 VAL 23 2HG2 VAL 23 8.409 1.126 2.862
165 HG23 VAL 23 3HG2 VAL 23 8.634 0.561 1.203
166 H CYS 24 H CYS 24 4.855 -1.175 0.137
167 HA CYS 24 HA CYS 24 2.890 -2.477 1.592
168 HB2 CYS 24 2HB CYS 24 2.428 -0.827 -0.121
169 HB3 CYS 24 1HB CYS 24 3.129 -1.859 -1.352
170 H LYS 25 H LYS 25 4.835 -3.667 -1.166
171 HA LYS 25 HA LYS 25 3.678 -6.274 -1.182
172 HB2 LYS 25 2HB LYS 25 6.230 -5.232 -2.407
173 HB3 LYS 25 1HB LYS 25 5.583 -6.844 -2.671
174 HG2 LYS 25 2HG LYS 25 3.634 -5.935 -3.756
175 HG3 LYS 25 1HG LYS 25 4.145 -4.292 -3.365
176 HD2 LYS 25 2HD LYS 25 4.674 -4.784 -5.682
177 HD3 LYS 25 1HD LYS 25 6.153 -4.609 -4.744
178 HE2 LYS 25 2HE LYS 25 6.317 -7.077 -4.599
179 HE3 LYS 25 1HE LYS 25 4.873 -7.207 -5.596
180 HZ1 LYS 25 1HZ LYS 25 7.407 -5.907 -6.454
181 HZ2 LYS 25 2HZ LYS 25 6.044 -6.147 -7.415
182 HZ3 LYS 25 3HZ LYS 25 6.943 -7.458 -6.867
183 H GLU 26 H GLU 26 6.160 -4.807 0.665
184 HA GLU 26 HA GLU 26 7.518 -7.229 1.367
185 HB2 GLU 26 2HB GLU 26 7.461 -4.580 2.824
186 HB3 GLU 26 1HB GLU 26 8.590 -5.893 3.125
187 HG2 GLU 26 2HG GLU 26 8.365 -4.313 0.577
188 HG3 GLU 26 1HG GLU 26 9.592 -4.095 1.818
189 H HIS 27 H HIS 27 5.033 -5.224 2.806
190 HA HIS 27 HA HIS 27 4.687 -6.950 5.076
191 HB2 HIS 27 2HB HIS 27 2.985 -4.691 4.005
192 HB3 HIS 27 1HB HIS 27 2.549 -5.619 5.427
193 HD1 HIS 27 1HD HIS 27 3.344 -4.624 7.592
194 HD2 HIS 27 2HD HIS 27 5.566 -3.341 4.331
195 HE1 HIS 27 1HE HIS 27 4.939 -2.899 8.485
196 H TYR 28 H TYR 28 2.957 -6.406 2.037
197 HA TYR 28 HA TYR 28 1.511 -8.918 2.485
198 HB2 TYR 28 2HB TYR 28 0.509 -6.472 0.992
199 HB3 TYR 28 1HB TYR 28 -0.397 -7.944 1.322
200 HD1 TYR 28 1HD TYR 28 -1.244 -8.387 3.607
201 HD2 TYR 28 2HD TYR 28 0.801 -4.782 2.662
202 HE1 TYR 28 1HE TYR 28 -2.038 -7.388 5.702
203 HE2 TYR 28 2HE TYR 28 0.030 -3.772 4.734
204 HH TYR 28 HH TYR 28 -1.612 -4.017 6.456
205 H HIS 29 H HIS 29 2.543 -10.301 1.180
206 HA HIS 29 HA HIS 29 4.076 -9.511 -1.055
207 HB2 HIS 29 2HB HIS 29 3.140 -12.283 -0.279
208 HB3 HIS 29 1HB HIS 29 4.321 -11.942 -1.531
209 HD1 HIS 29 1HD HIS 29 4.972 -13.682 1.011
210 HD2 HIS 29 2HD HIS 29 5.820 -9.635 0.589
211 HE1 HIS 29 1HE HIS 29 6.892 -13.211 2.570
212 H HIS 30 H HIS 30 0.753 -10.337 -0.761
213 HA HIS 30 HA HIS 30 0.456 -10.902 -3.586
214 HB2 HIS 30 2HB HIS 30 -1.547 -10.724 -1.346
215 HB3 HIS 30 1HB HIS 30 -2.033 -10.895 -3.025
216 HD1 HIS 30 1HD HIS 30 -1.633 -13.183 -4.142
217 HD2 HIS 30 2HD HIS 30 -0.484 -13.001 -0.156
218 HE1 HIS 30 1HE HIS 30 -1.241 -15.575 -3.412
219 H ALA 31 H ALA 31 0.969 -8.106 -2.041
220 HA ALA 31 HA ALA 31 -1.124 -6.494 -3.086
221 HB1 ALA 31 1HB ALA 31 0.101 -5.877 -1.065
222 HB2 ALA 31 2HB ALA 31 0.181 -4.611 -2.290
223 HB3 ALA 31 3HB ALA 31 1.566 -5.669 -2.022
224 H CYS 32 H CYS 32 -1.340 -5.729 -4.997
225 HA CYS 32 HA CYS 32 0.915 -5.833 -6.852
226 HB2 CYS 32 2HB CYS 32 -0.918 -5.572 -8.597
227 HB3 CYS 32 1HB CYS 32 -0.930 -7.079 -7.688
228 H LYS 33 H LYS 33 -1.331 -3.720 -5.295
229 HA LYS 33 HA LYS 33 0.148 -1.462 -6.334
230 HB2 LYS 33 2HB LYS 33 -1.771 -1.319 -7.721
231 HB3 LYS 33 1HB LYS 33 -2.855 -1.788 -6.422
232 HG2 LYS 33 2HG LYS 33 -2.501 0.374 -5.330
233 HG3 LYS 33 1HG LYS 33 -1.373 0.839 -6.592
234 HD2 LYS 33 2HD LYS 33 -4.185 0.058 -7.265
235 HD3 LYS 33 1HD LYS 33 -3.811 1.686 -6.703
236 HE2 LYS 33 2HE LYS 33 -2.583 0.326 -9.105
237 HE3 LYS 33 1HE LYS 33 -3.848 1.553 -9.157
238 HZ1 LYS 33 1HZ LYS 33 -2.245 3.021 -7.923
239 HZ2 LYS 33 2HZ LYS 33 -1.849 2.717 -9.515
240 HZ3 LYS 33 3HZ LYS 33 -1.023 1.909 -8.296
241 H GLY 34 H GLY 34 0.737 -0.122 -4.815
242 HA2 GLY 34 2HA GLY 34 -0.669 -0.151 -2.246
243 HA3 GLY 34 1HA GLY 34 1.091 -0.317 -2.313
244 H GLU 35 H GLU 35 -1.304 1.850 -1.854
245 HA GLU 35 HA GLU 35 0.503 4.014 -2.693
246 HB2 GLU 35 2HB GLU 35 -2.444 3.991 -3.344
247 HB3 GLU 35 1HB GLU 35 -1.395 5.389 -3.527
248 HG2 GLU 35 2HG GLU 35 0.014 4.025 -5.066
249 HG3 GLU 35 1HG GLU 35 -1.219 2.774 -4.989
250 H CYS 36 H CYS 36 0.642 5.776 -1.450
251 HA CYS 36 HA CYS 36 -0.152 5.701 1.237
252 HB2 CYS 36 2HB CYS 36 0.677 8.044 -0.464
253 HB3 CYS 36 1HB CYS 36 0.531 8.075 1.281
254 H GLU 37 H GLU 37 -2.069 6.081 2.040
255 HA GLU 37 HA GLU 37 -3.937 7.801 0.559
256 HB2 GLU 37 2HB GLU 37 -4.425 5.357 2.247
257 HB3 GLU 37 1HB GLU 37 -5.699 6.444 1.727
258 HG2 GLU 37 2HG GLU 37 -3.875 5.110 -0.241
259 HG3 GLU 37 1HG GLU 37 -5.310 4.306 0.390
260 H TYR 38 H TYR 38 -4.127 9.640 1.582
261 HA TYR 38 HA TYR 38 -3.476 9.937 4.369
262 HB2 TYR 38 2HB TYR 38 -4.675 11.880 2.380
263 HB3 TYR 38 1HB TYR 38 -4.178 12.294 4.012
264 HD1 TYR 38 1HD TYR 38 -1.836 12.380 4.593
265 HD2 TYR 38 2HD TYR 38 -3.091 11.605 0.620
266 HE1 TYR 38 1HE TYR 38 0.420 12.957 3.774
267 HE2 TYR 38 2HE TYR 38 -0.861 12.154 -0.217
268 HH TYR 38 HH TYR 38 1.831 12.420 1.723
269 H HIS 39 H HIS 39 -4.901 9.036 5.710
270 HA HIS 39 HA HIS 39 -7.713 9.679 5.248
271 HB2 HIS 39 2HB HIS 39 -7.299 7.307 4.602
272 HB3 HIS 39 1HB HIS 39 -6.710 6.988 6.225
273 HD1 HIS 39 1HD HIS 39 -8.555 5.387 7.078
274 HD2 HIS 39 2HD HIS 39 -10.069 8.870 5.365
275 HE1 HIS 39 1HE HIS 39 -11.028 5.348 7.477
276 H GLY 40 H GLY 40 -7.858 11.221 6.694
277 HA2 GLY 40 2HA GLY 40 -8.374 12.044 8.758
278 HA3 GLY 40 1HA GLY 40 -8.086 10.443 9.427
279 H ARG 41 H ARG 41 -6.405 10.228 10.672
280 HA ARG 41 HA ARG 41 -4.571 12.436 11.057
281 HB2 ARG 41 2HB ARG 41 -4.775 9.757 12.419
282 HB3 ARG 41 1HB ARG 41 -3.625 11.007 12.852
283 HG2 ARG 41 2HG ARG 41 -5.445 12.487 13.472
284 HG3 ARG 41 1HG ARG 41 -6.620 11.255 13.000
285 HD2 ARG 41 2HD ARG 41 -5.794 9.755 14.697
286 HD3 ARG 41 1HD ARG 41 -4.493 10.868 15.102
287 HE ARG 41 HE ARG 41 -7.063 12.048 15.366
288 HH11 ARG 41 1HH1 ARG 41 -4.759 9.915 17.025
289 HH12 ARG 41 2HH1 ARG 41 -5.314 10.308 18.588
290 HH21 ARG 41 1HH2 ARG 41 -7.785 12.594 17.546
291 HH22 ARG 41 2HH2 ARG 41 -7.031 11.851 18.888
292 H GLU 42 H GLU 42 -4.363 9.070 10.022
293 HA GLU 42 HA GLU 42 -1.491 9.349 9.666
294 HB2 GLU 42 2HB GLU 42 -3.238 6.897 9.578
295 HB3 GLU 42 1HB GLU 42 -1.491 6.918 9.464
296 HG2 GLU 42 2HG GLU 42 -3.121 7.764 11.850
297 HG3 GLU 42 1HG GLU 42 -2.208 6.265 11.682
298 H VAL 43 H VAL 43 -0.579 8.168 7.853
299 HA VAL 43 HA VAL 43 -2.229 7.957 5.500
300 HB VAL 43 HB VAL 43 -1.042 10.123 5.196
301 HG11 VAL 43 1HG1 VAL 43 0.859 9.765 6.679
302 HG12 VAL 43 2HG1 VAL 43 1.403 10.218 5.042
303 HG13 VAL 43 3HG1 VAL 43 1.449 8.529 5.559
304 HG21 VAL 43 1HG2 VAL 43 -1.373 8.792 3.195
305 HG22 VAL 43 2HG2 VAL 43 0.134 7.928 3.506
306 HG23 VAL 43 3HG2 VAL 43 0.178 9.638 3.104
307 H HIS 44 H HIS 44 -2.126 5.929 5.002
308 HA HIS 44 HA HIS 44 0.440 4.559 5.335
309 HB2 HIS 44 2HB HIS 44 -2.311 3.393 5.833
310 HB3 HIS 44 1HB HIS 44 -0.821 2.464 5.775
311 HD1 HIS 44 1HD HIS 44 -3.042 3.481 8.213
312 HD2 HIS 44 2HD HIS 44 1.063 3.961 7.812
313 HE1 HIS 44 1HE HIS 44 -2.155 3.811 10.537
314 H CYS 45 H CYS 45 0.762 2.843 3.874
315 HA CYS 45 HA CYS 45 -0.298 3.404 1.285
316 HB2 CYS 45 2HB CYS 45 1.751 1.545 2.418
317 HB3 CYS 45 1HB CYS 45 1.241 1.399 0.716
318 H HIS 46 H HIS 46 -2.219 2.680 0.811
319 HA HIS 46 HA HIS 46 -3.231 0.344 2.107
320 HB2 HIS 46 2HB HIS 46 -4.422 2.207 0.041
321 HB3 HIS 46 1HB HIS 46 -5.254 0.773 0.629
322 HD1 HIS 46 1HD HIS 46 -7.048 2.745 1.416
323 HD2 HIS 46 2HD HIS 46 -3.459 2.485 3.493
324 HE1 HIS 46 1HE HIS 46 -7.399 3.981 3.584
325 H CYS 47 H CYS 47 -3.090 -1.559 1.430
326 HA CYS 47 HA CYS 47 -1.731 -2.044 -1.071
327 HB2 CYS 47 2HB CYS 47 -2.091 -3.685 1.417
328 HB3 CYS 47 1HB CYS 47 -1.361 -4.311 -0.060
329 H TYR 48 H TYR 48 -2.873 -2.482 -2.677
330 HA TYR 48 HA TYR 48 -5.444 -3.870 -2.501
331 HB2 TYR 48 2HB TYR 48 -3.942 -2.708 -4.850
332 HB3 TYR 48 1HB TYR 48 -5.570 -3.351 -4.887
333 HD1 TYR 48 1HD TYR 48 -3.486 -0.570 -3.597
334 HD2 TYR 48 2HD TYR 48 -7.394 -1.966 -4.450
335 HE1 TYR 48 1HE TYR 48 -4.329 1.710 -3.336
336 HE2 TYR 48 2HE TYR 48 -8.274 0.301 -4.183
337 HH TYR 48 HH TYR 48 -6.224 2.998 -4.130
338 H GLY 49 H GLY 49 -5.470 -6.021 -3.147
339 HA2 GLY 49 2HA GLY 49 -3.208 -6.957 -4.703
340 HA3 GLY 49 1HA GLY 49 -3.288 -7.579 -3.070
341 H ASP 50 H ASP 50 -3.303 -9.011 -5.437
342 HA ASP 50 HA ASP 50 -6.003 -10.147 -5.609
343 HB2 ASP 50 2HB ASP 50 -4.671 -9.533 -7.717
344 HB3 ASP 50 1HB ASP 50 -3.543 -10.801 -7.263
345 H TYR 51 H TYR 51 -6.280 -11.899 -4.325
346 HA TYR 51 HA TYR 51 -3.910 -13.465 -3.661
347 HB2 TYR 51 2HB TYR 51 -4.363 -13.431 -1.293
348 HB3 TYR 51 1HB TYR 51 -4.221 -11.779 -1.869
349 HD1 TYR 51 1HD TYR 51 -6.147 -14.020 0.059
350 HD2 TYR 51 2HD TYR 51 -6.529 -10.579 -2.423
351 HE1 TYR 51 1HE TYR 51 -8.305 -13.519 1.093
352 HE2 TYR 51 2HE TYR 51 -8.694 -10.075 -1.390
353 HH TYR 51 HH TYR 51 -10.496 -11.222 -0.144
354 H HIS 52 H HIS 52 -4.256 -15.563 -3.490
355 HA HIS 52 HA HIS 52 -6.969 -16.535 -3.040
356 HB2 HIS 52 2HB HIS 52 -4.926 -17.662 -4.982
357 HB3 HIS 52 1HB HIS 52 -6.388 -18.507 -4.499
358 HD1 HIS 52 1HD HIS 52 -8.646 -17.558 -5.463
359 HD2 HIS 52 2HD HIS 52 -5.204 -15.727 -6.884
360 HE1 HIS 52 1HE HIS 52 -9.337 -16.311 -7.528
Start of MODEL 19
1 H1 ALA 1 H ALA 1 -6.583 -12.412 -12.640
2 HA ALA 1 HA ALA 1 -7.668 -10.427 -11.927
3 HB1 ALA 1 1HB ALA 1 -7.785 -10.582 -9.457
4 HB2 ALA 1 2HB ALA 1 -6.463 -11.757 -9.496
5 HB3 ALA 1 3HB ALA 1 -8.010 -12.127 -10.266
6 H HIS 2 H HIS 2 -7.447 -8.322 -11.260
7 HA HIS 2 HA HIS 2 -4.710 -7.368 -11.127
8 HB2 HIS 2 2HB HIS 2 -5.741 -5.084 -11.310
9 HB3 HIS 2 1HB HIS 2 -6.147 -6.142 -12.649
10 HD1 HIS 2 1HD HIS 2 -8.643 -6.484 -13.091
11 HD2 HIS 2 2HD HIS 2 -7.841 -4.557 -9.504
12 HE1 HIS 2 1HE HIS 2 -10.877 -5.709 -12.217
13 H CYS 3 H CYS 3 -4.398 -5.433 -9.548
14 HA CYS 3 HA CYS 3 -4.985 -6.483 -6.935
15 HB2 CYS 3 2HB CYS 3 -3.287 -4.163 -7.857
16 HB3 CYS 3 1HB CYS 3 -3.476 -4.637 -6.171
17 H ASP 4 H ASP 4 -7.065 -6.138 -6.481
18 HA ASP 4 HA ASP 4 -8.010 -3.336 -6.440
19 HB2 ASP 4 2HB ASP 4 -9.269 -4.598 -8.086
20 HB3 ASP 4 1HB ASP 4 -9.596 -5.854 -6.900
21 H HIS 5 H HIS 5 -7.899 -6.400 -4.755
22 HA HIS 5 HA HIS 5 -9.538 -5.547 -2.568
23 HB2 HIS 5 2HB HIS 5 -7.679 -7.915 -2.896
24 HB3 HIS 5 1HB HIS 5 -8.628 -7.624 -1.451
25 HD1 HIS 5 1HD HIS 5 -8.918 -8.893 -4.983
26 HD2 HIS 5 2HD HIS 5 -11.371 -8.142 -1.706
27 HE1 HIS 5 1HE HIS 5 -11.060 -10.135 -5.422
28 H PHE 6 H PHE 6 -8.936 -4.490 -0.793
29 HA PHE 6 HA PHE 6 -6.228 -3.636 -0.438
30 HB2 PHE 6 2HB PHE 6 -8.668 -3.417 1.354
31 HB3 PHE 6 1HB PHE 6 -7.091 -2.792 1.781
32 HD1 PHE 6 1HD PHE 6 -6.403 -0.645 1.063
33 HD2 PHE 6 2HD PHE 6 -9.879 -2.441 -0.632
34 HE1 PHE 6 1HE PHE 6 -7.007 1.489 0.041
35 HE2 PHE 6 2HE PHE 6 -10.480 -0.296 -1.666
36 HZ PHE 6 HZ PHE 6 -9.044 1.676 -1.326
37 H LEU 7 H LEU 7 -4.809 -4.994 0.231
38 HA LEU 7 HA LEU 7 -5.506 -7.440 1.593
39 HB2 LEU 7 2HB LEU 7 -2.803 -6.272 1.009
40 HB3 LEU 7 1HB LEU 7 -3.128 -7.911 1.521
41 HG LEU 7 HG LEU 7 -3.915 -6.683 -1.116
42 HD11 LEU 7 1HD1 LEU 7 -1.577 -7.068 -0.937
43 HD12 LEU 7 2HD1 LEU 7 -2.275 -8.323 -1.975
44 HD13 LEU 7 3HD1 LEU 7 -1.849 -8.682 -0.302
45 HD21 LEU 7 1HD2 LEU 7 -4.257 -9.504 -0.103
46 HD22 LEU 7 2HD2 LEU 7 -4.597 -8.945 -1.739
47 HD23 LEU 7 3HD2 LEU 7 -5.558 -8.347 -0.387
48 H GLY 8 H GLY 8 -4.216 -4.326 2.353
49 HA2 GLY 8 2HA GLY 8 -4.825 -4.294 4.974
50 HA3 GLY 8 1HA GLY 8 -3.264 -5.088 4.902
51 H GLU 9 H GLU 9 -2.355 -3.437 5.988
52 HA GLU 9 HA GLU 9 -1.886 -0.984 4.435
53 HB2 GLU 9 2HB GLU 9 -2.291 -1.283 7.407
54 HB3 GLU 9 1HB GLU 9 -1.764 0.190 6.611
55 HG2 GLU 9 2HG GLU 9 -3.850 0.464 5.540
56 HG3 GLU 9 1HG GLU 9 -4.364 -1.167 5.977
57 H ALA 10 H ALA 10 0.186 -0.054 4.868
58 HA ALA 10 HA ALA 10 2.060 -1.720 6.353
59 HB1 ALA 10 1HB ALA 10 2.582 -0.544 3.616
60 HB2 ALA 10 2HB ALA 10 2.310 -2.253 3.976
61 HB3 ALA 10 3HB ALA 10 3.730 -1.429 4.625
62 HA PRO 11 HA PRO 11 3.154 2.330 7.868
63 HB2 PRO 11 2HB PRO 11 5.224 1.643 9.451
64 HB3 PRO 11 1HB PRO 11 3.554 1.249 9.872
65 HG2 PRO 11 2HG PRO 11 5.687 -0.502 8.739
66 HG3 PRO 11 1HG PRO 11 4.421 -0.895 9.915
67 HD2 PRO 11 2HD PRO 11 4.348 -1.500 7.201
68 HD3 PRO 11 1HD PRO 11 2.943 -1.435 8.280
69 H VAL 12 H VAL 12 4.042 3.703 6.472
70 HA VAL 12 HA VAL 12 6.861 3.749 6.124
71 HB VAL 12 HB VAL 12 6.370 2.312 4.233
72 HG11 VAL 12 1HG1 VAL 12 4.026 2.689 3.996
73 HG12 VAL 12 2HG1 VAL 12 4.831 2.912 2.441
74 HG13 VAL 12 3HG1 VAL 12 4.310 4.315 3.377
75 HG21 VAL 12 1HG2 VAL 12 8.050 3.962 3.716
76 HG22 VAL 12 2HG2 VAL 12 6.805 5.134 3.278
77 HG23 VAL 12 3HG2 VAL 12 7.037 3.690 2.291
78 H TYR 13 H TYR 13 7.381 5.741 6.565
79 HA TYR 13 HA TYR 13 6.027 7.970 5.441
80 HB2 TYR 13 2HB TYR 13 4.483 7.504 7.285
81 HB3 TYR 13 1HB TYR 13 5.821 7.476 8.426
82 HD1 TYR 13 1HD TYR 13 6.314 9.403 9.607
83 HD2 TYR 13 2HD TYR 13 4.170 9.742 5.962
84 HE1 TYR 13 1HE TYR 13 6.023 11.800 10.013
85 HE2 TYR 13 2HE TYR 13 3.868 12.137 6.348
86 HH TYR 13 HH TYR 13 5.589 13.829 8.725
87 HA PRO 14 HA PRO 14 6.411 10.036 5.006
88 HB2 PRO 14 2HB PRO 14 8.180 11.012 3.148
89 HB3 PRO 14 1HB PRO 14 7.750 11.861 4.638
90 HG2 PRO 14 2HG PRO 14 10.152 10.184 4.033
91 HG3 PRO 14 1HG PRO 14 10.051 11.709 4.925
92 HD2 PRO 14 2HD PRO 14 10.268 9.337 6.181
93 HD3 PRO 14 1HD PRO 14 9.328 10.678 6.859
94 H CYS 15 H CYS 15 5.665 9.568 2.828
95 HA CYS 15 HA CYS 15 6.750 7.005 1.917
96 HB2 CYS 15 2HB CYS 15 4.636 6.707 3.047
97 HB3 CYS 15 1HB CYS 15 3.883 7.913 2.010
98 H LYS 16 H LYS 16 7.129 6.715 -0.158
99 HA LYS 16 HA LYS 16 6.401 8.822 -2.047
100 HB2 LYS 16 2HB LYS 16 8.510 6.655 -2.181
101 HB3 LYS 16 1HB LYS 16 7.968 7.473 -3.626
102 HG2 LYS 16 2HG LYS 16 10.046 8.410 -2.880
103 HG3 LYS 16 1HG LYS 16 8.768 9.604 -2.675
104 HD2 LYS 16 2HD LYS 16 8.643 9.065 -0.321
105 HD3 LYS 16 1HD LYS 16 9.903 7.846 -0.518
106 HE2 LYS 16 2HE LYS 16 11.499 9.525 -1.182
107 HE3 LYS 16 1HE LYS 16 10.262 10.781 -1.132
108 HZ1 LYS 16 1HZ LYS 16 11.293 9.220 1.171
109 HZ2 LYS 16 2HZ LYS 16 10.052 10.385 1.230
110 HZ3 LYS 16 3HZ LYS 16 11.608 10.849 0.834
111 H GLU 17 H GLU 17 5.572 8.118 -4.098
112 HA GLU 17 HA GLU 17 3.443 6.274 -3.891
113 HB2 GLU 17 2HB GLU 17 4.760 7.374 -6.380
114 HB3 GLU 17 1HB GLU 17 3.223 6.533 -6.345
115 HG2 GLU 17 2HG GLU 17 2.284 8.264 -4.954
116 HG3 GLU 17 1HG GLU 17 3.829 9.109 -4.946
117 H LYS 18 H LYS 18 6.578 6.024 -5.318
118 HA LYS 18 HA LYS 18 6.283 3.321 -6.209
119 HB2 LYS 18 2HB LYS 18 7.840 4.917 -7.253
120 HB3 LYS 18 1HB LYS 18 8.776 4.969 -5.773
121 HG2 LYS 18 2HG LYS 18 9.856 3.588 -7.443
122 HG3 LYS 18 1HG LYS 18 9.361 2.615 -6.060
123 HD2 LYS 18 2HD LYS 18 7.461 1.771 -7.269
124 HD3 LYS 18 1HD LYS 18 7.780 2.860 -8.620
125 HE2 LYS 18 2HE LYS 18 9.617 0.662 -7.668
126 HE3 LYS 18 1HE LYS 18 8.541 0.554 -9.061
127 HZ1 LYS 18 1HZ LYS 18 10.764 2.521 -8.784
128 HZ2 LYS 18 2HZ LYS 18 9.754 2.320 -10.127
129 HZ3 LYS 18 3HZ LYS 18 10.820 1.106 -9.687
130 H ALA 19 H ALA 19 7.190 4.825 -3.245
131 HA ALA 19 HA ALA 19 8.592 2.547 -2.124
132 HB1 ALA 19 1HB ALA 19 9.146 4.830 -1.409
133 HB2 ALA 19 2HB ALA 19 8.619 3.824 -0.057
134 HB3 ALA 19 3HB ALA 19 7.517 5.009 -0.758
135 H CYS 20 H CYS 20 5.333 3.854 -1.916
136 HA CYS 20 HA CYS 20 4.528 2.061 0.081
137 HB2 CYS 20 2HB CYS 20 3.221 4.072 -0.628
138 HB3 CYS 20 1HB CYS 20 2.813 3.244 -2.123
139 H LYS 21 H LYS 21 4.724 1.832 -3.412
140 HA LYS 21 HA LYS 21 3.460 -0.634 -3.870
141 HB2 LYS 21 2HB LYS 21 4.162 0.945 -5.657
142 HB3 LYS 21 1HB LYS 21 5.833 0.583 -5.292
143 HG2 LYS 21 2HG LYS 21 5.403 -1.783 -5.940
144 HG3 LYS 21 1HG LYS 21 3.785 -1.296 -6.448
145 HD2 LYS 21 2HD LYS 21 4.745 0.288 -8.036
146 HD3 LYS 21 1HD LYS 21 6.367 -0.153 -7.505
147 HE2 LYS 21 2HE LYS 21 5.940 -1.310 -9.541
148 HE3 LYS 21 1HE LYS 21 5.894 -2.485 -8.237
149 HZ1 LYS 21 1HZ LYS 21 4.092 -2.849 -9.772
150 HZ2 LYS 21 2HZ LYS 21 3.554 -1.288 -9.611
151 HZ3 LYS 21 3HZ LYS 21 3.412 -2.339 -8.316
152 H SER 22 H SER 22 6.855 0.180 -3.156
153 HA SER 22 HA SER 22 7.747 -2.487 -3.280
154 HB2 SER 22 2HB SER 22 9.815 -1.338 -2.160
155 HB3 SER 22 1HB SER 22 9.384 -0.901 -3.826
156 HG SER 22 HG SER 22 9.236 1.034 -3.080
157 H VAL 23 H VAL 23 6.949 -0.323 -0.582
158 HA VAL 23 HA VAL 23 7.681 -2.125 1.447
159 HB VAL 23 HB VAL 23 5.705 0.196 1.516
160 HG11 VAL 23 1HG1 VAL 23 5.861 0.102 3.947
161 HG12 VAL 23 2HG1 VAL 23 6.910 -1.313 3.829
162 HG13 VAL 23 3HG1 VAL 23 5.230 -1.419 3.307
163 HG21 VAL 23 1HG2 VAL 23 7.998 0.831 1.047
164 HG22 VAL 23 2HG2 VAL 23 8.552 -0.055 2.470
165 HG23 VAL 23 3HG2 VAL 23 7.524 1.367 2.659
166 H CYS 24 H CYS 24 4.501 -1.535 -0.101
167 HA CYS 24 HA CYS 24 3.129 -3.482 1.323
168 HB2 CYS 24 2HB CYS 24 2.670 -2.300 -1.389
169 HB3 CYS 24 1HB CYS 24 1.654 -3.610 -0.792
170 H LYS 25 H LYS 25 5.176 -3.854 -1.568
171 HA LYS 25 HA LYS 25 4.487 -6.449 -2.153
172 HB2 LYS 25 2HB LYS 25 5.621 -4.931 -3.653
173 HB3 LYS 25 1HB LYS 25 6.988 -4.831 -2.556
174 HG2 LYS 25 2HG LYS 25 7.390 -7.149 -2.860
175 HG3 LYS 25 1HG LYS 25 6.035 -7.230 -4.007
176 HD2 LYS 25 2HD LYS 25 7.168 -5.653 -5.487
177 HD3 LYS 25 1HD LYS 25 8.485 -5.483 -4.329
178 HE2 LYS 25 2HE LYS 25 7.729 -8.010 -5.787
179 HE3 LYS 25 1HE LYS 25 9.100 -6.968 -6.173
180 HZ1 LYS 25 1HZ LYS 25 8.727 -8.522 -3.659
181 HZ2 LYS 25 2HZ LYS 25 9.991 -7.453 -3.952
182 HZ3 LYS 25 3HZ LYS 25 9.843 -8.827 -4.877
183 H GLU 26 H GLU 26 6.745 -5.061 0.188
184 HA GLU 26 HA GLU 26 7.811 -7.664 0.793
185 HB2 GLU 26 2HB GLU 26 8.454 -4.949 1.919
186 HB3 GLU 26 1HB GLU 26 9.173 -6.435 2.533
187 HG2 GLU 26 2HG GLU 26 10.036 -6.910 0.264
188 HG3 GLU 26 1HG GLU 26 9.398 -5.358 -0.269
189 H HIS 27 H HIS 27 5.303 -5.693 2.025
190 HA HIS 27 HA HIS 27 5.124 -7.332 4.437
191 HB2 HIS 27 2HB HIS 27 3.374 -5.099 3.415
192 HB3 HIS 27 1HB HIS 27 2.920 -6.080 4.800
193 HD1 HIS 27 1HD HIS 27 3.894 -5.393 7.029
194 HD2 HIS 27 2HD HIS 27 5.715 -3.573 3.795
195 HE1 HIS 27 1HE HIS 27 5.441 -3.675 8.000
196 H TYR 28 H TYR 28 3.495 -7.020 1.360
197 HA TYR 28 HA TYR 28 2.119 -9.551 1.865
198 HB2 TYR 28 2HB TYR 28 0.957 -7.145 0.423
199 HB3 TYR 28 1HB TYR 28 0.161 -8.683 0.692
200 HD1 TYR 28 1HD TYR 28 1.262 -5.541 2.274
201 HD2 TYR 28 2HD TYR 28 -0.955 -9.135 2.799
202 HE1 TYR 28 1HE TYR 28 0.262 -4.614 4.302
203 HE2 TYR 28 2HE TYR 28 -1.964 -8.205 4.836
204 HH TYR 28 HH TYR 28 -1.592 -6.543 6.478
205 H HIS 29 H HIS 29 3.144 -10.867 0.410
206 HA HIS 29 HA HIS 29 4.375 -9.870 -1.966
207 HB2 HIS 29 2HB HIS 29 3.840 -12.686 -0.998
208 HB3 HIS 29 1HB HIS 29 4.628 -12.347 -2.532
209 HD1 HIS 29 1HD HIS 29 6.991 -13.055 -2.098
210 HD2 HIS 29 2HD HIS 29 5.481 -10.671 0.952
211 HE1 HIS 29 1HE HIS 29 8.917 -12.649 -0.515
212 H HIS 30 H HIS 30 1.287 -10.479 -1.197
213 HA HIS 30 HA HIS 30 0.294 -11.329 -3.795
214 HB2 HIS 30 2HB HIS 30 -1.237 -10.359 -1.361
215 HB3 HIS 30 1HB HIS 30 -1.935 -11.123 -2.775
216 HD1 HIS 30 1HD HIS 30 -2.492 -13.529 -2.366
217 HD2 HIS 30 2HD HIS 30 0.670 -12.230 0.006
218 HE1 HIS 30 1HE HIS 30 -1.894 -15.461 -0.833
219 H ALA 31 H ALA 31 1.399 -8.460 -2.478
220 HA ALA 31 HA ALA 31 -0.623 -6.767 -3.720
221 HB1 ALA 31 1HB ALA 31 1.757 -6.005 -2.030
222 HB2 ALA 31 2HB ALA 31 0.115 -6.205 -1.433
223 HB3 ALA 31 3HB ALA 31 0.482 -4.921 -2.584
224 H CYS 32 H CYS 32 -0.296 -5.800 -5.601
225 HA CYS 32 HA CYS 32 2.459 -5.759 -6.634
226 HB2 CYS 32 2HB CYS 32 1.547 -5.684 -8.867
227 HB3 CYS 32 1HB CYS 32 0.746 -6.997 -8.012
228 H LYS 33 H LYS 33 -0.149 -3.925 -5.477
229 HA LYS 33 HA LYS 33 0.979 -1.404 -6.419
230 HB2 LYS 33 2HB LYS 33 -0.867 -1.826 -7.883
231 HB3 LYS 33 1HB LYS 33 -1.879 -2.380 -6.567
232 HG2 LYS 33 2HG LYS 33 -2.614 -0.209 -7.334
233 HG3 LYS 33 1HG LYS 33 -1.975 -0.077 -5.701
234 HD2 LYS 33 2HD LYS 33 0.173 0.720 -6.677
235 HD3 LYS 33 1HD LYS 33 -0.607 0.712 -8.264
236 HE2 LYS 33 2HE LYS 33 -2.268 2.293 -7.477
237 HE3 LYS 33 1HE LYS 33 -1.541 2.283 -5.872
238 HZ1 LYS 33 1HZ LYS 33 -0.325 3.295 -8.376
239 HZ2 LYS 33 2HZ LYS 33 0.512 3.148 -6.924
240 HZ3 LYS 33 3HZ LYS 33 -0.807 4.197 -7.026
241 H GLY 34 H GLY 34 0.941 0.185 -4.875
242 HA2 GLY 34 2HA GLY 34 -0.645 -0.224 -2.459
243 HA3 GLY 34 1HA GLY 34 1.087 0.106 -2.320
244 H GLU 35 H GLU 35 -1.265 1.781 -1.536
245 HA GLU 35 HA GLU 35 -0.310 4.155 -2.962
246 HB2 GLU 35 2HB GLU 35 -2.460 3.347 -3.978
247 HB3 GLU 35 1HB GLU 35 -3.232 3.677 -2.426
248 HG2 GLU 35 2HG GLU 35 -3.664 5.510 -3.920
249 HG3 GLU 35 1HG GLU 35 -2.562 6.041 -2.660
250 H CYS 36 H CYS 36 0.402 5.478 -1.528
251 HA CYS 36 HA CYS 36 -0.479 5.388 1.199
252 HB2 CYS 36 2HB CYS 36 1.695 6.880 -0.226
253 HB3 CYS 36 1HB CYS 36 1.197 7.389 1.381
254 H GLU 37 H GLU 37 -2.185 6.258 1.768
255 HA GLU 37 HA GLU 37 -3.062 8.804 0.588
256 HB2 GLU 37 2HB GLU 37 -4.724 6.406 1.376
257 HB3 GLU 37 1HB GLU 37 -5.385 7.967 0.915
258 HG2 GLU 37 2HG GLU 37 -3.621 6.362 -0.890
259 HG3 GLU 37 1HG GLU 37 -5.366 6.137 -0.836
260 H TYR 38 H TYR 38 -4.058 10.196 2.122
261 HA TYR 38 HA TYR 38 -3.230 9.706 4.809
262 HB2 TYR 38 2HB TYR 38 -4.718 12.016 3.563
263 HB3 TYR 38 1HB TYR 38 -4.410 11.917 5.293
264 HD1 TYR 38 1HD TYR 38 -2.839 12.309 1.974
265 HD2 TYR 38 2HD TYR 38 -2.223 12.310 6.178
266 HE1 TYR 38 1HE TYR 38 -0.624 13.299 1.647
267 HE2 TYR 38 2HE TYR 38 -0.005 13.299 5.862
268 HH TYR 38 HH TYR 38 0.982 14.600 2.877
269 H HIS 39 H HIS 39 -4.142 8.322 5.928
270 HA HIS 39 HA HIS 39 -7.013 7.821 5.725
271 HB2 HIS 39 2HB HIS 39 -5.292 5.958 5.546
272 HB3 HIS 39 1HB HIS 39 -4.861 6.278 7.214
273 HD1 HIS 39 1HD HIS 39 -6.695 3.959 5.309
274 HD2 HIS 39 2HD HIS 39 -7.419 5.942 8.893
275 HE1 HIS 39 1HE HIS 39 -8.392 2.571 6.524
276 H GLY 40 H GLY 40 -7.719 9.584 6.832
277 HA2 GLY 40 2HA GLY 40 -8.533 10.437 8.847
278 HA3 GLY 40 1HA GLY 40 -7.264 9.562 9.706
279 H ARG 41 H ARG 41 -5.365 10.476 10.041
280 HA ARG 41 HA ARG 41 -5.062 13.306 9.264
281 HB2 ARG 41 2HB ARG 41 -5.127 12.923 11.673
282 HB3 ARG 41 1HB ARG 41 -3.825 11.751 11.530
283 HG2 ARG 41 2HG ARG 41 -2.457 13.671 10.554
284 HG3 ARG 41 1HG ARG 41 -3.707 14.720 11.218
285 HD2 ARG 41 2HD ARG 41 -1.864 14.500 12.761
286 HD3 ARG 41 1HD ARG 41 -3.315 13.754 13.444
287 HE ARG 41 HE ARG 41 -2.366 11.602 12.730
288 HH11 ARG 41 1HH1 ARG 41 -0.155 14.318 13.309
289 HH12 ARG 41 2HH1 ARG 41 1.215 13.328 13.558
290 HH21 ARG 41 1HH2 ARG 41 -0.466 10.240 13.069
291 HH22 ARG 41 2HH2 ARG 41 1.010 10.969 13.466
292 H GLU 42 H GLU 42 -3.216 10.317 9.793
293 HA GLU 42 HA GLU 42 -0.966 11.494 8.368
294 HB2 GLU 42 2HB GLU 42 0.361 9.650 9.308
295 HB3 GLU 42 1HB GLU 42 -0.456 10.579 10.555
296 HG2 GLU 42 2HG GLU 42 -2.246 8.791 10.512
297 HG3 GLU 42 1HG GLU 42 -1.133 7.849 9.530
298 H VAL 43 H VAL 43 0.339 9.788 7.097
299 HA VAL 43 HA VAL 43 -1.533 8.893 5.091
300 HB VAL 43 HB VAL 43 0.482 10.364 4.581
301 HG11 VAL 43 1HG1 VAL 43 1.979 7.802 4.872
302 HG12 VAL 43 2HG1 VAL 43 2.159 9.250 5.869
303 HG13 VAL 43 3HG1 VAL 43 2.618 9.283 4.156
304 HG21 VAL 43 1HG2 VAL 43 0.950 9.255 2.434
305 HG22 VAL 43 2HG2 VAL 43 -0.767 9.354 2.826
306 HG23 VAL 43 3HG2 VAL 43 0.096 7.829 3.034
307 H HIS 44 H HIS 44 -1.918 6.861 4.585
308 HA HIS 44 HA HIS 44 -0.358 4.777 5.929
309 HB2 HIS 44 2HB HIS 44 -3.344 4.942 5.494
310 HB3 HIS 44 1HB HIS 44 -2.536 3.413 5.788
311 HD1 HIS 44 1HD HIS 44 -3.228 2.794 8.130
312 HD2 HIS 44 2HD HIS 44 -2.149 6.803 7.811
313 HE1 HIS 44 1HE HIS 44 -3.267 3.703 10.458
314 H CYS 45 H CYS 45 0.282 3.135 4.720
315 HA CYS 45 HA CYS 45 0.048 3.403 1.850
316 HB2 CYS 45 2HB CYS 45 2.213 3.035 2.987
317 HB3 CYS 45 1HB CYS 45 1.618 1.509 3.612
318 H HIS 46 H HIS 46 -1.838 2.591 1.097
319 HA HIS 46 HA HIS 46 -3.018 0.257 2.325
320 HB2 HIS 46 2HB HIS 46 -3.972 2.029 0.062
321 HB3 HIS 46 1HB HIS 46 -4.905 0.733 0.800
322 HD1 HIS 46 1HD HIS 46 -4.270 4.303 1.075
323 HD2 HIS 46 2HD HIS 46 -5.431 1.253 3.640
324 HE1 HIS 46 1HE HIS 46 -5.304 5.435 3.104
325 H CYS 47 H CYS 47 -2.567 -1.656 1.629
326 HA CYS 47 HA CYS 47 -1.080 -2.000 -0.836
327 HB2 CYS 47 2HB CYS 47 -1.754 -3.964 1.346
328 HB3 CYS 47 1HB CYS 47 -0.597 -4.212 0.038
329 H TYR 48 H TYR 48 -1.993 -2.691 -2.652
330 HA TYR 48 HA TYR 48 -4.673 -3.892 -2.522
331 HB2 TYR 48 2HB TYR 48 -3.269 -2.572 -4.851
332 HB3 TYR 48 1HB TYR 48 -4.899 -3.214 -4.860
333 HD1 TYR 48 1HD TYR 48 -6.722 -1.958 -3.829
334 HD2 TYR 48 2HD TYR 48 -2.740 -0.487 -3.787
335 HE1 TYR 48 1HE TYR 48 -7.556 0.283 -3.263
336 HE2 TYR 48 2HE TYR 48 -3.543 1.738 -3.213
337 HH TYR 48 HH TYR 48 -6.609 2.422 -2.146
338 H GLY 49 H GLY 49 -4.965 -5.865 -3.391
339 HA2 GLY 49 2HA GLY 49 -3.208 -6.996 -5.323
340 HA3 GLY 49 1HA GLY 49 -2.979 -7.713 -3.732
341 H ASP 50 H ASP 50 -3.754 -9.697 -4.587
342 HA ASP 50 HA ASP 50 -6.669 -9.724 -4.758
343 HB2 ASP 50 2HB ASP 50 -6.600 -11.612 -6.269
344 HB3 ASP 50 1HB ASP 50 -5.548 -10.378 -6.939
345 H TYR 51 H TYR 51 -7.686 -11.063 -3.375
346 HA TYR 51 HA TYR 51 -6.074 -12.886 -1.782
347 HB2 TYR 51 2HB TYR 51 -6.113 -10.661 -0.655
348 HB3 TYR 51 1HB TYR 51 -7.864 -10.735 -0.635
349 HD1 TYR 51 1HD TYR 51 -8.806 -11.307 1.385
350 HD2 TYR 51 2HD TYR 51 -4.966 -12.879 0.433
351 HE1 TYR 51 1HE TYR 51 -8.700 -12.354 3.582
352 HE2 TYR 51 2HE TYR 51 -4.850 -13.948 2.640
353 HH TYR 51 HH TYR 51 -5.830 -13.694 4.878
354 H HIS 52 H HIS 52 -7.186 -14.704 -1.325
355 HA HIS 52 HA HIS 52 -9.993 -14.841 -1.121
356 HB2 HIS 52 2HB HIS 52 -9.858 -14.811 -3.595
357 HB3 HIS 52 1HB HIS 52 -8.690 -16.123 -3.560
358 HD1 HIS 52 1HD HIS 52 -9.731 -18.376 -4.024
359 HD2 HIS 52 2HD HIS 52 -12.425 -15.703 -2.317
360 HE1 HIS 52 1HE HIS 52 -11.915 -19.592 -3.884
Start of MODEL 20
1 H1 ALA 1 H ALA 1 -10.223 -11.322 -8.348
2 HA ALA 1 HA ALA 1 -8.188 -12.260 -9.738
3 HB1 ALA 1 1HB ALA 1 -10.450 -11.909 -10.652
4 HB2 ALA 1 2HB ALA 1 -9.175 -11.504 -11.795
5 HB3 ALA 1 3HB ALA 1 -10.043 -10.218 -10.961
6 H HIS 2 H HIS 2 -8.729 -8.691 -10.018
7 HA HIS 2 HA HIS 2 -5.858 -8.558 -10.502
8 HB2 HIS 2 2HB HIS 2 -6.207 -6.603 -11.940
9 HB3 HIS 2 1HB HIS 2 -7.074 -8.003 -12.516
10 HD1 HIS 2 1HD HIS 2 -9.592 -7.774 -12.824
11 HD2 HIS 2 2HD HIS 2 -7.852 -4.526 -10.901
12 HE1 HIS 2 1HE HIS 2 -11.369 -5.972 -12.733
13 H CYS 3 H CYS 3 -5.241 -5.976 -10.329
14 HA CYS 3 HA CYS 3 -4.874 -5.652 -7.546
15 HB2 CYS 3 2HB CYS 3 -4.209 -3.863 -9.878
16 HB3 CYS 3 1HB CYS 3 -3.673 -3.589 -8.227
17 H ASP 4 H ASP 4 -7.721 -5.405 -8.116
18 HA ASP 4 HA ASP 4 -8.179 -2.578 -7.456
19 HB2 ASP 4 2HB ASP 4 -10.496 -2.930 -7.983
20 HB3 ASP 4 1HB ASP 4 -9.560 -3.669 -9.276
21 H HIS 5 H HIS 5 -8.119 -5.726 -6.220
22 HA HIS 5 HA HIS 5 -9.707 -5.338 -3.866
23 HB2 HIS 5 2HB HIS 5 -9.597 -7.540 -4.747
24 HB3 HIS 5 1HB HIS 5 -7.844 -7.508 -4.821
25 HD1 HIS 5 1HD HIS 5 -6.683 -8.592 -2.936
26 HD2 HIS 5 2HD HIS 5 -10.630 -7.739 -2.017
27 HE1 HIS 5 1HE HIS 5 -7.158 -9.754 -0.723
28 H PHE 6 H PHE 6 -9.040 -4.886 -1.847
29 HA PHE 6 HA PHE 6 -6.338 -3.857 -1.563
30 HB2 PHE 6 2HB PHE 6 -8.765 -3.620 0.215
31 HB3 PHE 6 1HB PHE 6 -7.183 -2.948 0.582
32 HD1 PHE 6 1HD PHE 6 -10.283 -2.490 -1.169
33 HD2 PHE 6 2HD PHE 6 -6.250 -1.187 -0.899
34 HE1 PHE 6 1HE PHE 6 -10.872 -0.432 -2.374
35 HE2 PHE 6 2HE PHE 6 -6.833 0.875 -2.099
36 HZ PHE 6 HZ PHE 6 -9.138 1.251 -2.838
37 H LEU 7 H LEU 7 -4.887 -4.878 -0.454
38 HA LEU 7 HA LEU 7 -5.578 -7.382 0.857
39 HB2 LEU 7 2HB LEU 7 -2.916 -6.070 0.350
40 HB3 LEU 7 1HB LEU 7 -3.130 -7.635 1.105
41 HG LEU 7 HG LEU 7 -3.915 -6.956 -1.729
42 HD11 LEU 7 1HD1 LEU 7 -1.627 -8.559 -0.630
43 HD12 LEU 7 2HD1 LEU 7 -1.517 -6.980 -1.414
44 HD13 LEU 7 3HD1 LEU 7 -2.046 -8.390 -2.332
45 HD21 LEU 7 1HD2 LEU 7 -5.325 -8.678 -0.769
46 HD22 LEU 7 2HD2 LEU 7 -3.900 -9.566 -0.231
47 HD23 LEU 7 3HD2 LEU 7 -4.220 -9.369 -1.955
48 H GLY 8 H GLY 8 -4.792 -4.123 1.591
49 HA2 GLY 8 2HA GLY 8 -5.688 -3.877 4.057
50 HA3 GLY 8 1HA GLY 8 -4.176 -4.730 4.337
51 H GLU 9 H GLU 9 -4.206 -2.457 5.531
52 HA GLU 9 HA GLU 9 -2.835 -0.619 3.744
53 HB2 GLU 9 2HB GLU 9 -3.232 1.103 5.475
54 HB3 GLU 9 1HB GLU 9 -4.719 0.410 4.853
55 HG2 GLU 9 2HG GLU 9 -4.818 -1.033 6.875
56 HG3 GLU 9 1HG GLU 9 -3.412 -0.174 7.495
57 H ALA 10 H ALA 10 -0.863 0.188 4.282
58 HA ALA 10 HA ALA 10 0.568 -1.126 6.478
59 HB1 ALA 10 1HB ALA 10 1.091 -2.309 4.394
60 HB2 ALA 10 2HB ALA 10 2.500 -1.444 5.005
61 HB3 ALA 10 3HB ALA 10 1.583 -0.787 3.650
62 HA PRO 11 HA PRO 11 1.860 3.098 7.162
63 HB2 PRO 11 2HB PRO 11 3.783 2.635 9.005
64 HB3 PRO 11 1HB PRO 11 2.062 2.485 9.384
65 HG2 PRO 11 2HG PRO 11 4.059 0.350 8.749
66 HG3 PRO 11 1HG PRO 11 2.789 0.356 9.984
67 HD2 PRO 11 2HD PRO 11 2.548 -0.921 7.591
68 HD3 PRO 11 1HD PRO 11 1.167 -0.264 8.492
69 H VAL 12 H VAL 12 3.268 4.379 6.060
70 HA VAL 12 HA VAL 12 5.970 3.672 5.601
71 HB VAL 12 HB VAL 12 5.026 2.302 3.815
72 HG11 VAL 12 1HG1 VAL 12 3.701 3.252 2.007
73 HG12 VAL 12 2HG1 VAL 12 3.667 4.795 2.857
74 HG13 VAL 12 3HG1 VAL 12 2.884 3.381 3.566
75 HG21 VAL 12 1HG2 VAL 12 6.095 3.270 1.844
76 HG22 VAL 12 2HG2 VAL 12 7.116 3.455 3.276
77 HG23 VAL 12 3HG2 VAL 12 6.196 4.829 2.658
78 H TYR 13 H TYR 13 7.139 5.501 5.432
79 HA TYR 13 HA TYR 13 6.081 7.806 4.098
80 HB2 TYR 13 2HB TYR 13 5.327 7.943 6.570
81 HB3 TYR 13 1HB TYR 13 7.034 8.139 6.948
82 HD1 TYR 13 1HD TYR 13 4.198 9.631 5.157
83 HD2 TYR 13 2HD TYR 13 8.109 10.251 6.666
84 HE1 TYR 13 1HE TYR 13 3.965 12.031 4.724
85 HE2 TYR 13 2HE TYR 13 7.897 12.662 6.238
86 HH TYR 13 HH TYR 13 6.546 14.159 4.751
87 HA PRO 14 HA PRO 14 6.864 9.824 3.597
88 HB2 PRO 14 2HB PRO 14 8.515 10.333 1.258
89 HB3 PRO 14 1HB PRO 14 8.108 11.427 2.583
90 HG2 PRO 14 2HG PRO 14 10.618 10.464 2.197
91 HG3 PRO 14 1HG PRO 14 9.976 10.868 3.799
92 HD2 PRO 14 2HD PRO 14 10.207 8.189 2.473
93 HD3 PRO 14 1HD PRO 14 10.583 8.649 4.148
94 H CYS 15 H CYS 15 5.617 10.098 1.531
95 HA CYS 15 HA CYS 15 5.027 7.497 0.499
96 HB2 CYS 15 2HB CYS 15 3.122 8.892 0.994
97 HB3 CYS 15 1HB CYS 15 3.752 10.191 -0.013
98 H LYS 16 H LYS 16 6.077 6.674 -1.011
99 HA LYS 16 HA LYS 16 6.606 8.171 -3.406
100 HB2 LYS 16 2HB LYS 16 8.633 7.793 -1.839
101 HB3 LYS 16 1HB LYS 16 8.498 6.098 -2.291
102 HG2 LYS 16 2HG LYS 16 10.169 7.211 -3.619
103 HG3 LYS 16 1HG LYS 16 8.789 6.763 -4.632
104 HD2 LYS 16 2HD LYS 16 7.897 8.994 -4.462
105 HD3 LYS 16 1HD LYS 16 9.197 9.456 -3.374
106 HE2 LYS 16 2HE LYS 16 10.816 9.094 -5.152
107 HE3 LYS 16 1HE LYS 16 9.523 8.573 -6.233
108 HZ1 LYS 16 1HZ LYS 16 9.686 11.268 -4.999
109 HZ2 LYS 16 2HZ LYS 16 8.572 10.765 -6.160
110 HZ3 LYS 16 3HZ LYS 16 10.206 10.899 -6.553
111 H GLU 17 H GLU 17 6.036 6.864 -5.125
112 HA GLU 17 HA GLU 17 4.143 4.880 -4.636
113 HB2 GLU 17 2HB GLU 17 4.547 6.366 -6.702
114 HB3 GLU 17 1HB GLU 17 5.679 5.132 -7.211
115 HG2 GLU 17 2HG GLU 17 2.785 4.600 -6.627
116 HG3 GLU 17 1HG GLU 17 3.394 5.067 -8.209
117 H LYS 18 H LYS 18 7.500 4.590 -5.689
118 HA LYS 18 HA LYS 18 7.497 1.776 -5.789
119 HB2 LYS 18 2HB LYS 18 9.940 1.886 -5.864
120 HB3 LYS 18 1HB LYS 18 9.225 3.076 -6.937
121 HG2 LYS 18 2HG LYS 18 9.703 4.822 -5.280
122 HG3 LYS 18 1HG LYS 18 10.422 3.602 -4.229
123 HD2 LYS 18 2HD LYS 18 12.055 3.072 -5.976
124 HD3 LYS 18 1HD LYS 18 11.350 4.321 -7.001
125 HE2 LYS 18 2HE LYS 18 11.914 6.008 -5.315
126 HE3 LYS 18 1HE LYS 18 12.625 4.747 -4.309
127 HZ1 LYS 18 1HZ LYS 18 14.241 4.325 -6.060
128 HZ2 LYS 18 2HZ LYS 18 14.301 5.935 -5.555
129 HZ3 LYS 18 3HZ LYS 18 13.543 5.544 -7.005
130 H ALA 19 H ALA 19 8.182 3.981 -3.172
131 HA ALA 19 HA ALA 19 9.202 2.018 -1.345
132 HB1 ALA 19 1HB ALA 19 8.952 3.724 0.371
133 HB2 ALA 19 2HB ALA 19 7.949 4.693 -0.695
134 HB3 ALA 19 3HB ALA 19 9.660 4.450 -1.076
135 H CYS 20 H CYS 20 6.082 3.515 -1.872
136 HA CYS 20 HA CYS 20 4.621 2.329 0.180
137 HB2 CYS 20 2HB CYS 20 3.811 4.220 -1.141
138 HB3 CYS 20 1HB CYS 20 3.809 3.236 -2.595
139 H LYS 21 H LYS 21 5.042 1.386 -3.208
140 HA LYS 21 HA LYS 21 3.632 -1.009 -3.184
141 HB2 LYS 21 2HB LYS 21 4.374 0.333 -5.146
142 HB3 LYS 21 1HB LYS 21 6.016 -0.184 -4.845
143 HG2 LYS 21 2HG LYS 21 5.365 -2.495 -5.352
144 HG3 LYS 21 1HG LYS 21 3.711 -1.947 -5.637
145 HD2 LYS 21 2HD LYS 21 4.442 -0.499 -7.440
146 HD3 LYS 21 1HD LYS 21 6.124 -0.918 -7.133
147 HE2 LYS 21 2HE LYS 21 3.972 -2.832 -8.030
148 HE3 LYS 21 1HE LYS 21 5.195 -2.107 -9.072
149 HZ1 LYS 21 1HZ LYS 21 6.896 -3.211 -7.749
150 HZ2 LYS 21 2HZ LYS 21 5.811 -4.324 -8.405
151 HZ3 LYS 21 3HZ LYS 21 5.706 -3.920 -6.787
152 H SER 22 H SER 22 7.021 -0.295 -2.445
153 HA SER 22 HA SER 22 7.902 -2.955 -2.129
154 HB2 SER 22 2HB SER 22 8.997 -0.382 -0.982
155 HB3 SER 22 1HB SER 22 9.847 -1.920 -0.913
156 HG SER 22 HG SER 22 9.044 -0.485 -3.226
157 H VAL 23 H VAL 23 6.807 -0.566 0.290
158 HA VAL 23 HA VAL 23 7.112 -2.274 2.509
159 HB VAL 23 HB VAL 23 5.337 0.167 2.120
160 HG11 VAL 23 1HG1 VAL 23 5.127 0.231 4.572
161 HG12 VAL 23 2HG1 VAL 23 5.986 -1.307 4.676
162 HG13 VAL 23 3HG1 VAL 23 4.407 -1.232 3.901
163 HG21 VAL 23 1HG2 VAL 23 7.045 1.274 3.480
164 HG22 VAL 23 2HG2 VAL 23 7.725 0.592 2.000
165 HG23 VAL 23 3HG2 VAL 23 7.957 -0.233 3.541
166 H CYS 24 H CYS 24 4.404 -1.613 0.373
167 HA CYS 24 HA CYS 24 2.522 -3.214 1.550
168 HB2 CYS 24 2HB CYS 24 2.974 -2.473 -1.322
169 HB3 CYS 24 1HB CYS 24 1.640 -3.514 -0.834
170 H LYS 25 H LYS 25 5.030 -4.200 -0.800
171 HA LYS 25 HA LYS 25 4.353 -6.904 -1.055
172 HB2 LYS 25 2HB LYS 25 7.045 -5.577 -1.045
173 HB3 LYS 25 1HB LYS 25 6.832 -7.283 -1.368
174 HG2 LYS 25 2HG LYS 25 5.522 -6.728 -3.351
175 HG3 LYS 25 1HG LYS 25 5.737 -5.005 -3.002
176 HD2 LYS 25 2HD LYS 25 8.118 -5.193 -3.213
177 HD3 LYS 25 1HD LYS 25 8.015 -6.943 -3.364
178 HE2 LYS 25 2HE LYS 25 6.910 -6.736 -5.483
179 HE3 LYS 25 1HE LYS 25 6.839 -4.983 -5.322
180 HZ1 LYS 25 1HZ LYS 25 8.659 -5.737 -6.771
181 HZ2 LYS 25 2HZ LYS 25 9.371 -6.550 -5.471
182 HZ3 LYS 25 3HZ LYS 25 9.230 -4.885 -5.450
183 H GLU 26 H GLU 26 6.127 -5.263 1.468
184 HA GLU 26 HA GLU 26 7.095 -7.654 2.667
185 HB2 GLU 26 2HB GLU 26 6.936 -4.870 3.816
186 HB3 GLU 26 1HB GLU 26 7.828 -6.214 4.514
187 HG2 GLU 26 2HG GLU 26 8.362 -4.847 1.889
188 HG3 GLU 26 1HG GLU 26 9.363 -4.802 3.340
189 H HIS 27 H HIS 27 4.424 -5.492 3.362
190 HA HIS 27 HA HIS 27 3.635 -7.084 5.638
191 HB2 HIS 27 2HB HIS 27 2.209 -4.805 4.249
192 HB3 HIS 27 1HB HIS 27 1.569 -5.635 5.658
193 HD1 HIS 27 1HD HIS 27 2.222 -4.607 7.879
194 HD2 HIS 27 2HD HIS 27 4.761 -3.536 4.780
195 HE1 HIS 27 1HE HIS 27 3.826 -2.925 8.848
196 H TYR 28 H TYR 28 2.612 -6.749 2.300
197 HA TYR 28 HA TYR 28 1.013 -9.176 2.563
198 HB2 TYR 28 2HB TYR 28 0.172 -6.738 0.936
199 HB3 TYR 28 1HB TYR 28 -0.780 -8.184 1.262
200 HD1 TYR 28 1HD TYR 28 -1.564 -8.600 3.660
201 HD2 TYR 28 2HD TYR 28 0.086 -4.883 2.398
202 HE1 TYR 28 1HE TYR 28 -2.478 -7.507 5.666
203 HE2 TYR 28 2HE TYR 28 -0.822 -3.792 4.392
204 HH TYR 28 HH TYR 28 -2.560 -4.126 6.119
205 H HIS 29 H HIS 29 2.236 -10.514 1.369
206 HA HIS 29 HA HIS 29 4.279 -9.613 -0.332
207 HB2 HIS 29 2HB HIS 29 3.196 -12.414 -0.097
208 HB3 HIS 29 1HB HIS 29 4.733 -11.955 -0.814
209 HD1 HIS 29 1HD HIS 29 6.107 -10.275 1.257
210 HD2 HIS 29 2HD HIS 29 3.644 -13.467 2.273
211 HE1 HIS 29 1HE HIS 29 6.799 -10.970 3.567
212 H HIS 30 H HIS 30 1.023 -10.328 -1.050
213 HA HIS 30 HA HIS 30 1.644 -10.683 -3.879
214 HB2 HIS 30 2HB HIS 30 -0.957 -10.955 -2.377
215 HB3 HIS 30 1HB HIS 30 -0.790 -11.174 -4.110
216 HD1 HIS 30 1HD HIS 30 -0.032 -13.464 -4.901
217 HD2 HIS 30 2HD HIS 30 0.329 -12.971 -0.793
218 HE1 HIS 30 1HE HIS 30 0.419 -15.762 -3.962
219 H ALA 31 H ALA 31 1.577 -8.093 -2.120
220 HA ALA 31 HA ALA 31 -0.431 -6.503 -3.365
221 HB1 ALA 31 1HB ALA 31 2.032 -5.601 -1.886
222 HB2 ALA 31 2HB ALA 31 0.463 -5.936 -1.155
223 HB3 ALA 31 3HB ALA 31 0.636 -4.607 -2.305
224 H CYS 32 H CYS 32 -0.403 -5.500 -5.169
225 HA CYS 32 HA CYS 32 2.038 -5.559 -6.786
226 HB2 CYS 32 2HB CYS 32 0.387 -5.293 -8.684
227 HB3 CYS 32 1HB CYS 32 0.313 -6.818 -7.802
228 H LYS 33 H LYS 33 -0.170 -3.379 -5.230
229 HA LYS 33 HA LYS 33 1.224 -1.094 -6.311
230 HB2 LYS 33 2HB LYS 33 -0.471 -1.625 -8.058
231 HB3 LYS 33 1HB LYS 33 -1.732 -1.519 -6.855
232 HG2 LYS 33 2HG LYS 33 -1.624 0.463 -8.299
233 HG3 LYS 33 1HG LYS 33 -1.353 0.856 -6.603
234 HD2 LYS 33 2HD LYS 33 0.179 2.051 -8.155
235 HD3 LYS 33 1HD LYS 33 1.023 1.055 -6.977
236 HE2 LYS 33 2HE LYS 33 1.382 -0.663 -8.653
237 HE3 LYS 33 1HE LYS 33 0.442 0.249 -9.831
238 HZ1 LYS 33 1HZ LYS 33 2.067 1.945 -9.833
239 HZ2 LYS 33 2HZ LYS 33 2.898 0.507 -10.057
240 HZ3 LYS 33 3HZ LYS 33 2.901 1.291 -8.539
241 H GLY 34 H GLY 34 0.623 0.898 -5.086
242 HA2 GLY 34 2HA GLY 34 -1.057 0.399 -2.754
243 HA3 GLY 34 1HA GLY 34 0.589 0.976 -2.526
244 H GLU 35 H GLU 35 -1.954 2.234 -1.874
245 HA GLU 35 HA GLU 35 -1.663 4.775 -3.375
246 HB2 GLU 35 2HB GLU 35 -3.818 3.591 -3.795
247 HB3 GLU 35 1HB GLU 35 -4.136 3.621 -2.067
248 HG2 GLU 35 2HG GLU 35 -5.429 5.313 -3.145
249 HG3 GLU 35 1HG GLU 35 -4.178 6.088 -2.180
250 H CYS 36 H CYS 36 -1.077 6.449 -2.048
251 HA CYS 36 HA CYS 36 -0.829 5.941 0.793
252 HB2 CYS 36 2HB CYS 36 -0.105 8.422 -0.795
253 HB3 CYS 36 1HB CYS 36 0.302 8.122 0.883
254 H GLU 37 H GLU 37 -2.574 6.188 2.012
255 HA GLU 37 HA GLU 37 -4.417 8.413 1.460
256 HB2 GLU 37 2HB GLU 37 -4.997 5.668 2.591
257 HB3 GLU 37 1HB GLU 37 -6.164 6.977 2.525
258 HG2 GLU 37 2HG GLU 37 -4.837 5.712 0.135
259 HG3 GLU 37 1HG GLU 37 -6.460 5.343 0.713
260 H TYR 38 H TYR 38 -4.829 9.749 3.135
261 HA TYR 38 HA TYR 38 -3.163 9.479 5.466
262 HB2 TYR 38 2HB TYR 38 -5.092 11.640 4.635
263 HB3 TYR 38 1HB TYR 38 -4.086 11.703 6.073
264 HD1 TYR 38 1HD TYR 38 -4.210 12.130 2.462
265 HD2 TYR 38 2HD TYR 38 -1.632 11.946 5.844
266 HE1 TYR 38 1HE TYR 38 -2.433 13.191 1.160
267 HE2 TYR 38 2HE TYR 38 0.149 13.004 4.550
268 HH TYR 38 HH TYR 38 0.790 13.320 2.252
269 H HIS 39 H HIS 39 -3.771 8.812 7.393
270 HA HIS 39 HA HIS 39 -6.632 8.660 7.967
271 HB2 HIS 39 2HB HIS 39 -4.498 6.630 8.674
272 HB3 HIS 39 1HB HIS 39 -6.101 6.654 9.399
273 HD1 HIS 39 1HD HIS 39 -4.297 5.126 6.725
274 HD2 HIS 39 2HD HIS 39 -8.175 6.458 7.298
275 HE1 HIS 39 1HE HIS 39 -5.696 3.973 4.963
276 H GLY 40 H GLY 40 -6.941 10.214 9.311
277 HA2 GLY 40 2HA GLY 40 -6.846 11.351 11.303
278 HA3 GLY 40 1HA GLY 40 -5.591 10.231 11.830
279 H ARG 41 H ARG 41 -3.490 10.762 11.613
280 HA ARG 41 HA ARG 41 -2.910 13.387 10.429
281 HB2 ARG 41 2HB ARG 41 -1.823 12.260 13.008
282 HB3 ARG 41 1HB ARG 41 -1.243 13.728 12.233
283 HG2 ARG 41 2HG ARG 41 -3.431 14.747 12.500
284 HG3 ARG 41 1HG ARG 41 -4.036 13.270 13.246
285 HD2 ARG 41 2HD ARG 41 -2.481 13.535 15.090
286 HD3 ARG 41 1HD ARG 41 -1.785 14.961 14.313
287 HE ARG 41 HE ARG 41 -4.491 15.397 14.539
288 HH11 ARG 41 1HH1 ARG 41 -1.792 14.971 16.822
289 HH12 ARG 41 2HH1 ARG 41 -2.468 15.973 18.012
290 HH21 ARG 41 1HH2 ARG 41 -5.400 16.764 16.180
291 HH22 ARG 41 2HH2 ARG 41 -4.573 17.010 17.646
292 H GLU 42 H GLU 42 -2.313 10.149 10.174
293 HA GLU 42 HA GLU 42 0.361 10.654 9.072
294 HB2 GLU 42 2HB GLU 42 0.397 9.385 11.270
295 HB3 GLU 42 1HB GLU 42 -0.478 8.095 10.462
296 HG2 GLU 42 2HG GLU 42 1.376 7.784 8.917
297 HG3 GLU 42 1HG GLU 42 2.249 9.107 9.683
298 H VAL 43 H VAL 43 0.865 9.486 7.186
299 HA VAL 43 HA VAL 43 -1.497 8.649 5.722
300 HB VAL 43 HB VAL 43 0.124 10.301 4.746
301 HG11 VAL 43 1HG1 VAL 43 2.208 9.540 3.769
302 HG12 VAL 43 2HG1 VAL 43 1.940 7.945 4.471
303 HG13 VAL 43 3HG1 VAL 43 2.191 9.337 5.530
304 HG21 VAL 43 1HG2 VAL 43 0.143 9.377 2.497
305 HG22 VAL 43 2HG2 VAL 43 -1.405 9.097 3.300
306 HG23 VAL 43 3HG2 VAL 43 -0.240 7.782 3.144
307 H HIS 44 H HIS 44 -1.871 6.636 4.936
308 HA HIS 44 HA HIS 44 0.073 4.513 5.587
309 HB2 HIS 44 2HB HIS 44 -2.964 4.331 5.723
310 HB3 HIS 44 1HB HIS 44 -1.857 3.001 5.973
311 HD1 HIS 44 1HD HIS 44 -3.562 3.049 8.251
312 HD2 HIS 44 2HD HIS 44 -0.482 5.846 7.991
313 HE1 HIS 44 1HE HIS 44 -3.210 3.908 10.571
314 H CYS 45 H CYS 45 0.065 2.815 4.007
315 HA CYS 45 HA CYS 45 -1.078 3.674 1.475
316 HB2 CYS 45 2HB CYS 45 1.228 1.977 2.196
317 HB3 CYS 45 1HB CYS 45 0.383 1.578 0.710
318 H HIS 46 H HIS 46 -2.751 2.816 0.657
319 HA HIS 46 HA HIS 46 -3.837 0.334 1.683
320 HB2 HIS 46 2HB HIS 46 -4.793 2.285 -0.429
321 HB3 HIS 46 1HB HIS 46 -5.584 0.741 -0.153
322 HD1 HIS 46 1HD HIS 46 -7.491 2.899 0.290
323 HD2 HIS 46 2HD HIS 46 -4.768 1.822 3.240
324 HE1 HIS 46 1HE HIS 46 -8.480 3.669 2.454
325 H CYS 47 H CYS 47 -2.973 -1.436 1.014
326 HA CYS 47 HA CYS 47 -1.461 -1.484 -1.440
327 HB2 CYS 47 2HB CYS 47 -1.822 -3.589 0.682
328 HB3 CYS 47 1HB CYS 47 -0.600 -3.568 -0.589
329 H TYR 48 H TYR 48 -2.200 -2.291 -3.232
330 HA TYR 48 HA TYR 48 -4.759 -3.718 -3.311
331 HB2 TYR 48 2HB TYR 48 -3.033 -2.690 -5.571
332 HB3 TYR 48 1HB TYR 48 -4.655 -3.332 -5.710
333 HD1 TYR 48 1HD TYR 48 -2.640 -0.485 -4.586
334 HD2 TYR 48 2HD TYR 48 -6.561 -1.926 -5.322
335 HE1 TYR 48 1HE TYR 48 -3.468 1.783 -4.481
336 HE2 TYR 48 2HE TYR 48 -7.430 0.357 -5.211
337 HH TYR 48 HH TYR 48 -6.803 2.534 -4.308
338 H GLY 49 H GLY 49 -4.848 -5.770 -4.264
339 HA2 GLY 49 2HA GLY 49 -2.979 -7.000 -5.812
340 HA3 GLY 49 1HA GLY 49 -2.447 -7.305 -4.164
341 H ASP 50 H ASP 50 -3.021 -9.387 -5.599
342 HA ASP 50 HA ASP 50 -5.594 -10.330 -4.521
343 HB2 ASP 50 2HB ASP 50 -5.666 -10.011 -7.024
344 HB3 ASP 50 1HB ASP 50 -4.316 -11.131 -7.153
345 H TYR 51 H TYR 51 -5.117 -11.868 -3.028
346 HA TYR 51 HA TYR 51 -2.460 -12.967 -3.248
347 HB2 TYR 51 2HB TYR 51 -2.329 -13.266 -0.859
348 HB3 TYR 51 1HB TYR 51 -2.777 -11.619 -1.213
349 HD1 TYR 51 1HD TYR 51 -3.095 -13.927 1.158
350 HD2 TYR 51 2HD TYR 51 -5.689 -11.614 -1.300
351 HE1 TYR 51 1HE TYR 51 -4.835 -14.087 2.860
352 HE2 TYR 51 2HE TYR 51 -7.449 -11.782 0.407
353 HH TYR 51 HH TYR 51 -6.865 -12.775 3.550
354 H HIS 52 H HIS 52 -2.209 -15.029 -2.026
355 HA HIS 52 HA HIS 52 -2.459 -17.277 -1.956
356 HB2 HIS 52 2HB HIS 52 -5.308 -16.905 -2.964
357 HB3 HIS 52 1HB HIS 52 -4.610 -18.413 -2.409
358 HD1 HIS 52 1HD HIS 52 -6.834 -15.904 -1.340
359 HD2 HIS 52 2HD HIS 52 -3.769 -18.008 0.506
360 HE1 HIS 52 1HE HIS 52 -7.342 -15.847 1.115