Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620308 | 5t4r RC | 30164 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 HT1 ASP 1 5.278 -12.186 1.626
2 H2 ASP 1 HT2 ASP 1 6.100 -13.450 0.861
3 H3 ASP 1 HT3 ASP 1 5.334 -12.221 -0.036
4 HA ASP 1 HA ASP 1 7.527 -11.668 1.822
5 HB2 ASP 1 HB2 ASP 1 7.593 -11.901 -1.208
6 HB3 ASP 1 HB1 ASP 1 8.899 -11.249 -0.225
7 H CYS 2 H CYS 2 8.457 -9.396 1.051
8 HA CYS 2 HA CYS 2 6.183 -7.700 1.224
9 HB2 CYS 2 HB2 CYS 2 7.807 -5.937 1.344
10 HB3 CYS 2 HB1 CYS 2 8.081 -7.157 2.559
11 H ARG 3 H ARG 3 6.051 -5.820 0.031
12 HA ARG 3 HA ARG 3 6.472 -6.283 -2.828
13 HB2 ARG 3 HB2 ARG 3 4.297 -5.286 -1.277
14 HB3 ARG 3 HB1 ARG 3 4.856 -4.001 -2.320
15 HG2 ARG 3 HG2 ARG 3 3.114 -5.246 -3.452
16 HG3 ARG 3 HG1 ARG 3 4.656 -5.480 -4.272
17 HD2 ARG 3 HD2 ARG 3 3.472 -7.573 -4.137
18 HD3 ARG 3 HD1 ARG 3 4.913 -7.650 -3.126
19 HE ARG 3 HE ARG 3 2.821 -6.819 -1.518
20 HH11 ARG 3 HH11 ARG 3 3.622 -9.723 -3.380
21 HH12 ARG 3 HH12 ARG 3 2.743 -10.768 -2.367
22 HH21 ARG 3 HH21 ARG 3 1.600 -8.241 -0.184
23 HH22 ARG 3 HH22 ARG 3 1.546 -9.908 -0.529
24 H TYR 4 H TYR 4 7.807 -4.954 -4.011
25 HA TYR 4 HA TYR 4 9.138 -2.886 -2.594
26 HB2 TYR 4 HB2 TYR 4 9.524 -4.254 -5.248
27 HB3 TYR 4 HB1 TYR 4 10.475 -2.885 -4.720
28 HD1 TYR 4 HD1 TYR 4 10.008 -6.463 -4.492
29 HD2 TYR 4 HD2 TYR 4 11.986 -3.162 -2.631
30 HE1 TYR 4 HE1 TYR 4 11.545 -8.000 -3.364
31 HE2 TYR 4 HE2 TYR 4 13.517 -4.692 -1.534
32 HH TYR 4 HH TYR 4 13.699 -6.940 -0.876
33 H MET 5 H MET 5 9.622 -1.327 -5.044
34 HA MET 5 HA MET 5 7.430 0.467 -4.621
35 HB2 MET 5 HB2 MET 5 9.936 0.945 -5.309
36 HB3 MET 5 HB1 MET 5 9.301 0.752 -6.929
37 HG2 MET 5 HG2 MET 5 7.605 2.487 -6.410
38 HG3 MET 5 HG1 MET 5 8.395 2.681 -4.845
39 HE1 MET 5 HE1 MET 5 8.036 5.255 -6.097
40 HE2 MET 5 HE2 MET 5 9.665 5.944 -6.239
41 HE3 MET 5 HE3 MET 5 9.223 5.033 -4.798
42 H PHE 6 H PHE 6 5.744 0.909 -5.703
43 HA PHE 6 HA PHE 6 4.100 0.914 -7.187
44 HB2 PHE 6 HB2 PHE 6 5.943 -0.585 -9.073
45 HB3 PHE 6 HB1 PHE 6 4.347 0.012 -9.515
46 HD1 PHE 6 HD1 PHE 6 7.820 0.860 -8.961
47 HD2 PHE 6 HD2 PHE 6 3.939 2.452 -9.601
48 HE1 PHE 6 HE1 PHE 6 8.817 3.014 -9.506
49 HE2 PHE 6 HE2 PHE 6 4.928 4.636 -10.162
50 HZ PHE 6 HZ PHE 6 7.372 4.924 -10.115
51 H GLY 7 H GLY 7 5.136 -1.595 -5.528
52 HA2 GLY 7 HA2 GLY 7 3.154 -3.507 -6.425
53 HA3 GLY 7 HA1 GLY 7 4.233 -3.653 -5.037
54 H ASP 8 H ASP 8 1.259 -3.987 -5.270
55 HA ASP 8 HA ASP 8 -0.105 -1.796 -4.138
56 HB2 ASP 8 HB2 ASP 8 -1.290 -3.386 -5.264
57 HB3 ASP 8 HB1 ASP 8 -0.765 -4.734 -4.248
58 H CYS 9 H CYS 9 -0.865 -1.381 -2.092
59 HA CYS 9 HA CYS 9 0.150 -3.031 0.058
60 HB2 CYS 9 HB2 CYS 9 1.421 -1.234 1.066
61 HB3 CYS 9 HB1 CYS 9 1.892 -1.578 -0.616
62 H GLU 10 H GLU 10 -1.008 -2.814 1.954
63 HA GLU 10 HA GLU 10 -3.290 -0.958 1.948
64 HB2 GLU 10 HB2 GLU 10 -2.586 -3.149 3.908
65 HB3 GLU 10 HB1 GLU 10 -4.083 -2.247 3.841
66 HG2 GLU 10 HG2 GLU 10 -4.617 -3.319 1.717
67 HG3 GLU 10 HG1 GLU 10 -3.103 -4.227 1.812
68 H LYS 11 H LYS 11 -0.486 -2.119 3.698
69 HA LYS 11 HA LYS 11 -0.336 0.332 5.239
70 HB2 LYS 11 HB2 LYS 11 0.175 -0.958 7.202
71 HB3 LYS 11 HB1 LYS 11 -1.385 -1.456 6.595
72 HG2 LYS 11 HG2 LYS 11 0.111 -3.291 5.368
73 HG3 LYS 11 HG1 LYS 11 1.191 -2.935 6.709
74 HD2 LYS 11 HD2 LYS 11 -0.082 -4.720 7.456
75 HD3 LYS 11 HD1 LYS 11 -0.850 -3.316 8.203
76 HE2 LYS 11 HE2 LYS 11 -2.570 -4.757 7.306
77 HE3 LYS 11 HE1 LYS 11 -2.492 -3.288 6.337
78 HZ1 LYS 11 HZ1 LYS 11 -2.663 -5.242 4.905
79 HZ2 LYS 11 HZ2 LYS 11 -1.318 -5.917 5.626
80 HZ3 LYS 11 HZ3 LYS 11 -1.142 -4.543 4.675
81 H ASP 12 H ASP 12 1.880 0.069 6.372
82 HA ASP 12 HA ASP 12 3.772 0.083 4.189
83 HB2 ASP 12 HB2 ASP 12 4.336 0.432 7.133
84 HB3 ASP 12 HB1 ASP 12 5.434 0.814 5.809
85 H GLU 13 H GLU 13 2.777 -2.149 6.453
86 HA GLU 13 HA GLU 13 5.099 -3.771 6.797
87 HB2 GLU 13 HB2 GLU 13 2.820 -3.710 8.093
88 HB3 GLU 13 HB1 GLU 13 2.347 -4.785 6.767
89 HG2 GLU 13 HG2 GLU 13 3.010 -6.019 8.808
90 HG3 GLU 13 HG1 GLU 13 3.980 -6.410 7.388
91 H ASP 14 H ASP 14 2.708 -3.411 4.337
92 HA ASP 14 HA ASP 14 3.019 -6.000 3.172
93 HB2 ASP 14 HB2 ASP 14 1.800 -3.482 1.969
94 HB3 ASP 14 HB1 ASP 14 1.749 -5.128 1.338
95 H CYS 15 H CYS 15 4.445 -2.898 2.888
96 HA CYS 15 HA CYS 15 5.959 -3.532 0.524
97 HB2 CYS 15 HB2 CYS 15 6.261 -1.163 2.380
98 HB3 CYS 15 HB1 CYS 15 6.803 -1.328 0.725
99 H CYS 16 H CYS 16 8.307 -3.436 0.613
100 HA CYS 16 HA CYS 16 9.449 -4.796 2.770
101 HB2 CYS 16 HB2 CYS 16 10.821 -3.150 0.694
102 HB3 CYS 16 HB1 CYS 16 11.530 -4.443 1.544
103 H LYS 17 H LYS 17 11.465 -3.778 3.741
104 HA LYS 17 HA LYS 17 10.413 -1.560 5.285
105 HB2 LYS 17 HB2 LYS 17 12.789 -3.310 5.871
106 HB3 LYS 17 HB1 LYS 17 11.974 -2.206 6.990
107 HG2 LYS 17 HG2 LYS 17 9.889 -3.451 6.340
108 HG3 LYS 17 HG1 LYS 17 10.968 -4.670 5.726
109 HD2 LYS 17 HD2 LYS 17 11.959 -5.041 7.914
110 HD3 LYS 17 HD1 LYS 17 11.022 -3.708 8.599
111 HE2 LYS 17 HE2 LYS 17 9.871 -6.259 7.453
112 HE3 LYS 17 HE1 LYS 17 10.011 -5.879 9.167
113 HZ1 LYS 17 HZ1 LYS 17 7.743 -5.406 8.318
114 HZ2 LYS 17 HZ2 LYS 17 8.381 -4.328 7.205
115 HZ3 LYS 17 HZ3 LYS 17 8.503 -4.013 8.847
116 H HIS 18 H HIS 18 12.185 -1.940 2.872
117 HA HIS 18 HA HIS 18 13.902 0.419 3.246
118 HB2 HIS 18 HB2 HIS 18 13.586 -1.324 0.781
119 HB3 HIS 18 HB1 HIS 18 14.704 0.024 0.919
120 HD1 HIS 18 HD1 HIS 18 16.851 -0.382 2.336
121 HD2 HIS 18 HD2 HIS 18 14.315 -3.650 2.037
122 HE1 HIS 18 HE1 HIS 18 18.178 -2.365 3.112
123 H LEU 19 H LEU 19 10.772 -0.073 2.727
124 HA LEU 19 HA LEU 19 10.432 2.251 1.011
125 HB2 LEU 19 HB2 LEU 19 9.121 -0.430 0.674
126 HB3 LEU 19 HB1 LEU 19 8.484 1.019 -0.054
127 HG LEU 19 HG LEU 19 11.037 1.046 -0.984
128 HD11 LEU 19 HD11 LEU 19 11.628 -1.149 -1.745
129 HD12 LEU 19 HD12 LEU 19 10.273 -1.843 -0.861
130 HD13 LEU 19 HD13 LEU 19 11.606 -1.080 0.023
131 HD21 LEU 19 HD21 LEU 19 8.684 -0.352 -2.196
132 HD22 LEU 19 HD22 LEU 19 10.122 0.191 -3.060
133 HD23 LEU 19 HD23 LEU 19 9.053 1.368 -2.295
134 H GLY 20 H GLY 20 7.917 2.579 0.910
135 HA2 GLY 20 HA2 GLY 20 6.598 2.070 3.437
136 HA3 GLY 20 HA1 GLY 20 6.899 3.754 2.972
137 H CYS 21 H CYS 21 4.293 2.713 3.215
138 HA CYS 21 HA CYS 21 3.474 2.113 0.481
139 HB2 CYS 21 HB2 CYS 21 2.555 0.706 2.215
140 HB3 CYS 21 HB1 CYS 21 1.994 2.105 3.114
141 H LYS 22 H LYS 22 2.689 3.698 -0.881
142 HA LYS 22 HA LYS 22 1.690 6.071 0.427
143 HB2 LYS 22 HB2 LYS 22 2.382 5.566 -2.452
144 HB3 LYS 22 HB1 LYS 22 1.420 6.945 -1.949
145 HG2 LYS 22 HG2 LYS 22 4.152 6.232 -1.158
146 HG3 LYS 22 HG1 LYS 22 3.737 7.616 -2.196
147 HD2 LYS 22 HD2 LYS 22 2.351 8.342 -0.072
148 HD3 LYS 22 HD1 LYS 22 3.372 7.214 0.778
149 HE2 LYS 22 HE2 LYS 22 4.261 9.666 -0.753
150 HE3 LYS 22 HE1 LYS 22 4.351 9.405 0.987
151 HZ1 LYS 22 HZ1 LYS 22 5.929 8.061 -1.127
152 HZ2 LYS 22 HZ2 LYS 22 5.971 7.553 0.463
153 HZ3 LYS 22 HZ3 LYS 22 6.543 9.063 0.065
154 H ARG 23 H ARG 23 -0.184 6.158 0.902
155 HA ARG 23 HA ARG 23 -2.067 4.189 0.089
156 HB2 ARG 23 HB2 ARG 23 -2.325 6.619 1.825
157 HB3 ARG 23 HB1 ARG 23 -3.665 5.559 1.471
158 HG2 ARG 23 HG2 ARG 23 -2.862 4.962 3.609
159 HG3 ARG 23 HG1 ARG 23 -2.330 3.706 2.484
160 HD2 ARG 23 HD2 ARG 23 -0.098 4.562 2.517
161 HD3 ARG 23 HD1 ARG 23 -0.604 5.963 3.469
162 HE ARG 23 HE ARG 23 -1.418 3.927 4.968
163 HH11 ARG 23 HH11 ARG 23 1.770 4.703 3.617
164 HH12 ARG 23 HH12 ARG 23 2.608 3.834 4.824
165 HH21 ARG 23 HH21 ARG 23 -0.199 2.799 6.626
166 HH22 ARG 23 HH22 ARG 23 1.520 2.852 6.526
167 H LYS 24 H LYS 24 -1.053 6.953 -1.320
168 HA LYS 24 HA LYS 24 -3.687 7.780 -2.316
169 HB2 LYS 24 HB2 LYS 24 -2.072 9.546 -1.721
170 HB3 LYS 24 HB1 LYS 24 -0.922 8.882 -2.864
171 HG2 LYS 24 HG2 LYS 24 -1.935 10.852 -3.792
172 HG3 LYS 24 HG1 LYS 24 -2.452 9.444 -4.709
173 HD2 LYS 24 HD2 LYS 24 -4.351 10.894 -4.390
174 HD3 LYS 24 HD1 LYS 24 -4.585 9.451 -3.411
175 HE2 LYS 24 HE2 LYS 24 -5.231 11.461 -2.184
176 HE3 LYS 24 HE1 LYS 24 -3.849 10.689 -1.418
177 HZ1 LYS 24 HZ1 LYS 24 -2.408 12.319 -2.412
178 HZ2 LYS 24 HZ2 LYS 24 -3.614 13.120 -1.568
179 HZ3 LYS 24 HZ3 LYS 24 -3.660 13.040 -3.249
180 H MET 25 H MET 25 -0.921 6.021 -3.139
181 HA MET 25 HA MET 25 -1.820 5.790 -5.901
182 HB2 MET 25 HB2 MET 25 0.965 5.413 -4.746
183 HB3 MET 25 HB1 MET 25 0.478 5.085 -6.371
184 HG2 MET 25 HG2 MET 25 -0.005 7.813 -5.294
185 HG3 MET 25 HG1 MET 25 1.624 7.350 -5.758
186 HE1 MET 25 HE1 MET 25 -2.099 7.883 -6.998
187 HE2 MET 25 HE2 MET 25 -1.844 6.291 -7.754
188 HE3 MET 25 HE3 MET 25 -1.935 7.734 -8.741
189 H LYS 26 H LYS 26 -1.755 4.197 -2.977
190 HA LYS 26 HA LYS 26 -2.055 2.153 -2.225
191 HB2 LYS 26 HB2 LYS 26 -3.140 1.664 -4.999
192 HB3 LYS 26 HB1 LYS 26 -3.192 0.486 -3.723
193 HG2 LYS 26 HG2 LYS 26 -5.345 1.599 -3.819
194 HG3 LYS 26 HG1 LYS 26 -4.479 1.993 -2.328
195 HD2 LYS 26 HD2 LYS 26 -3.793 4.086 -3.257
196 HD3 LYS 26 HD1 LYS 26 -4.647 3.737 -4.751
197 HE2 LYS 26 HE2 LYS 26 -6.003 5.193 -3.270
198 HE3 LYS 26 HE1 LYS 26 -6.788 3.646 -3.582
199 HZ1 LYS 26 HZ1 LYS 26 -6.938 4.285 -1.271
200 HZ2 LYS 26 HZ2 LYS 26 -5.264 4.344 -1.117
201 HZ3 LYS 26 HZ3 LYS 26 -6.047 2.869 -1.427
202 H TYR 27 H TYR 27 0.349 2.874 -3.368
203 HA TYR 27 HA TYR 27 1.383 0.211 -3.553
204 HB2 TYR 27 HB2 TYR 27 2.856 0.530 -5.466
205 HB3 TYR 27 HB1 TYR 27 1.174 0.610 -5.905
206 HD1 TYR 27 HD1 TYR 27 3.920 2.986 -4.929
207 HD2 TYR 27 HD2 TYR 27 0.679 2.158 -7.544
208 HE1 TYR 27 HE1 TYR 27 4.449 4.994 -6.183
209 HE2 TYR 27 HE2 TYR 27 1.183 4.189 -8.824
210 HH TYR 27 HH TYR 27 2.273 6.307 -8.473
211 H CYS 28 H CYS 28 3.521 -0.057 -3.331
212 HA CYS 28 HA CYS 28 4.542 1.493 -1.216
213 HB2 CYS 28 HB2 CYS 28 5.870 -0.651 -2.858
214 HB3 CYS 28 HB1 CYS 28 6.383 -0.069 -1.274
215 H ALA 29 H ALA 29 5.942 3.029 -1.228
216 HA ALA 29 HA ALA 29 7.376 3.739 -3.673
217 HB1 ALA 29 HB1 ALA 29 5.647 5.401 -3.126
218 HB2 ALA 29 HB2 ALA 29 7.260 6.057 -2.888
219 HB3 ALA 29 HB3 ALA 29 6.304 5.548 -1.493
220 H TRP 30 H TRP 30 9.439 5.150 -2.745
221 HA TRP 30 HA TRP 30 10.762 3.211 -1.127
222 HB2 TRP 30 HB2 TRP 30 11.721 5.804 -2.306
223 HB3 TRP 30 HB1 TRP 30 12.736 4.810 -1.275
224 HD1 TRP 30 HD TRP 30 11.679 5.182 -4.794
225 HE1 TRP 30 HE1 TRP 30 12.602 3.192 -6.191
226 HE3 TRP 30 HE3 TRP 30 13.077 2.317 -1.055
227 HZ2 TRP 30 HZ2 TRP 30 13.792 0.675 -5.685
228 HZ3 TRP 30 HZ3 TRP 30 14.144 0.054 -1.477
229 HH2 TRP 30 HH TRP 30 14.474 -0.718 -3.773
230 H ASP 31 H ASP 31 8.691 5.448 -0.150
231 HA ASP 31 HA ASP 31 9.510 5.437 2.514
232 HB2 ASP 31 HB2 ASP 31 9.518 7.918 2.712
233 HB3 ASP 31 HB1 ASP 31 10.872 7.269 1.785
234 H PHE 32 H PHE 32 7.827 6.289 3.689
235 HA PHE 32 HA PHE 32 5.247 6.396 2.250
236 HB2 PHE 32 HB2 PHE 32 4.137 5.811 4.416
237 HB3 PHE 32 HB1 PHE 32 5.175 4.552 3.786
238 HD1 PHE 32 HD1 PHE 32 7.138 3.856 5.005
239 HD2 PHE 32 HD2 PHE 32 4.752 7.078 6.429
240 HE1 PHE 32 HE1 PHE 32 8.254 3.718 7.181
241 HE2 PHE 32 HE2 PHE 32 5.870 6.938 8.610
242 HZ PHE 32 HZ PHE 32 7.625 5.259 8.985
243 H THR 33 H THR 33 7.291 8.045 4.466
244 HA THR 33 HA THR 33 5.470 9.919 5.467
245 HB THR 33 HB THR 33 8.478 10.134 5.198
246 HG1 THR 33 HG1 THR 33 6.933 9.053 7.327
247 HG21 THR 33 HG21 THR 33 6.525 11.310 7.180
248 HG22 THR 33 HG22 THR 33 7.358 12.209 5.909
249 HG23 THR 33 HG23 THR 33 8.278 11.503 7.244
250 H PHE 34 H PHE 34 4.918 11.888 4.713
251 HA PHE 34 HA PHE 34 5.508 12.537 1.988
252 HB2 PHE 34 HB2 PHE 34 3.922 14.017 4.100
253 HB3 PHE 34 HB1 PHE 34 4.029 14.499 2.411
254 HD1 PHE 34 HD1 PHE 34 2.889 13.283 0.703
255 HD2 PHE 34 HD2 PHE 34 2.656 12.059 4.757
256 HE1 PHE 34 HE1 PHE 34 1.008 11.821 0.150
257 HE2 PHE 34 HE2 PHE 34 0.768 10.585 4.211
258 HZ PHE 34 HZ PHE 34 -0.057 10.467 1.898
259 H THR 35 H THR 35 7.339 13.458 1.463
260 HA THR 35 HA THR 35 8.384 15.654 3.014
261 HB THR 35 HB THR 35 9.401 13.728 4.122
262 HG1 THR 35 HG1 THR 35 11.357 14.943 2.440
263 HG21 THR 35 HG21 THR 35 10.419 12.928 1.388
264 HG22 THR 35 HG22 THR 35 9.220 12.067 2.349
265 HG23 THR 35 HG23 THR 35 10.888 12.170 2.910
Start of MODEL 2
1 H1 ASP 1 HT1 ASP 1 6.675 -11.774 3.177
2 H2 ASP 1 HT2 ASP 1 6.496 -13.202 2.269
3 H3 ASP 1 HT3 ASP 1 5.279 -12.026 2.281
4 HA ASP 1 HA ASP 1 7.994 -11.598 1.241
5 HB2 ASP 1 HB2 ASP 1 7.011 -11.621 -0.987
6 HB3 ASP 1 HB1 ASP 1 6.595 -13.133 -0.190
7 H CYS 2 H CYS 2 8.338 -9.428 0.571
8 HA CYS 2 HA CYS 2 6.157 -7.645 1.260
9 HB2 CYS 2 HB2 CYS 2 7.860 -5.963 1.284
10 HB3 CYS 2 HB1 CYS 2 8.073 -7.132 2.563
11 H ARG 3 H ARG 3 5.922 -5.900 0.041
12 HA ARG 3 HA ARG 3 6.273 -6.392 -2.805
13 HB2 ARG 3 HB2 ARG 3 4.395 -4.745 -1.184
14 HB3 ARG 3 HB1 ARG 3 4.774 -4.172 -2.797
15 HG2 ARG 3 HG2 ARG 3 2.748 -5.470 -2.858
16 HG3 ARG 3 HG1 ARG 3 4.028 -6.319 -3.714
17 HD2 ARG 3 HD2 ARG 3 2.875 -7.941 -2.487
18 HD3 ARG 3 HD1 ARG 3 4.375 -7.660 -1.601
19 HE ARG 3 HE ARG 3 2.232 -6.065 -0.646
20 HH11 ARG 3 HH11 ARG 3 3.623 -9.380 -0.417
21 HH12 ARG 3 HH12 ARG 3 2.806 -9.738 1.015
22 HH21 ARG 3 HH21 ARG 3 1.072 -6.715 1.428
23 HH22 ARG 3 HH22 ARG 3 1.380 -8.252 2.029
24 H TYR 4 H TYR 4 7.621 -5.200 -4.090
25 HA TYR 4 HA TYR 4 9.269 -3.304 -2.798
26 HB2 TYR 4 HB2 TYR 4 9.208 -4.557 -5.521
27 HB3 TYR 4 HB1 TYR 4 10.289 -3.274 -5.128
28 HD1 TYR 4 HD1 TYR 4 10.142 -6.703 -5.385
29 HD2 TYR 4 HD2 TYR 4 11.598 -3.686 -2.746
30 HE1 TYR 4 HE1 TYR 4 11.783 -8.286 -4.454
31 HE2 TYR 4 HE2 TYR 4 13.224 -5.252 -1.839
32 HH TYR 4 HH TYR 4 13.995 -8.127 -3.294
33 H MET 5 H MET 5 9.728 -1.619 -5.005
34 HA MET 5 HA MET 5 7.682 0.286 -4.520
35 HB2 MET 5 HB2 MET 5 10.172 0.678 -5.271
36 HB3 MET 5 HB1 MET 5 9.530 0.406 -6.880
37 HG2 MET 5 HG2 MET 5 7.917 2.212 -6.521
38 HG3 MET 5 HG1 MET 5 8.653 2.514 -4.950
39 HE1 MET 5 HE1 MET 5 9.378 4.865 -5.191
40 HE2 MET 5 HE2 MET 5 8.335 4.909 -6.624
41 HE3 MET 5 HE3 MET 5 9.965 5.614 -6.672
42 H PHE 6 H PHE 6 5.954 0.763 -5.549
43 HA PHE 6 HA PHE 6 4.238 0.803 -6.954
44 HB2 PHE 6 HB2 PHE 6 5.895 -0.749 -8.962
45 HB3 PHE 6 HB1 PHE 6 4.361 0.045 -9.290
46 HD1 PHE 6 HD1 PHE 6 4.249 2.570 -9.030
47 HD2 PHE 6 HD2 PHE 6 7.900 0.405 -9.124
48 HE1 PHE 6 HE1 PHE 6 5.466 4.639 -9.577
49 HE2 PHE 6 HE2 PHE 6 9.118 2.440 -9.652
50 HZ PHE 6 HZ PHE 6 7.911 4.569 -9.894
51 H GLY 7 H GLY 7 5.382 -1.804 -5.438
52 HA2 GLY 7 HA2 GLY 7 3.476 -3.751 -6.303
53 HA3 GLY 7 HA1 GLY 7 4.439 -3.806 -4.826
54 H ASP 8 H ASP 8 1.676 -4.440 -4.977
55 HA ASP 8 HA ASP 8 0.108 -2.156 -4.240
56 HB2 ASP 8 HB2 ASP 8 -0.847 -3.851 -5.440
57 HB3 ASP 8 HB1 ASP 8 -0.492 -5.104 -4.240
58 H CYS 9 H CYS 9 -0.754 -1.626 -2.299
59 HA CYS 9 HA CYS 9 0.069 -3.182 -0.025
60 HB2 CYS 9 HB2 CYS 9 1.321 -1.391 1.003
61 HB3 CYS 9 HB1 CYS 9 1.892 -1.760 -0.642
62 H GLU 10 H GLU 10 -1.056 -2.627 1.868
63 HA GLU 10 HA GLU 10 -3.240 -0.692 1.565
64 HB2 GLU 10 HB2 GLU 10 -2.940 -3.089 3.383
65 HB3 GLU 10 HB1 GLU 10 -4.251 -1.930 3.493
66 HG2 GLU 10 HG2 GLU 10 -3.666 -3.692 1.125
67 HG3 GLU 10 HG1 GLU 10 -4.923 -3.973 2.333
68 H LYS 11 H LYS 11 -0.573 -1.930 3.468
69 HA LYS 11 HA LYS 11 -0.319 0.595 4.796
70 HB2 LYS 11 HB2 LYS 11 0.085 -0.559 6.957
71 HB3 LYS 11 HB1 LYS 11 -1.569 -0.640 6.391
72 HG2 LYS 11 HG2 LYS 11 -1.110 -2.933 5.551
73 HG3 LYS 11 HG1 LYS 11 0.491 -2.834 6.284
74 HD2 LYS 11 HD2 LYS 11 -1.002 -4.017 7.760
75 HD3 LYS 11 HD1 LYS 11 -0.573 -2.470 8.484
76 HE2 LYS 11 HE2 LYS 11 -2.729 -1.525 7.695
77 HE3 LYS 11 HE1 LYS 11 -3.143 -3.092 7.008
78 HZ1 LYS 11 HZ1 LYS 11 -2.658 -2.558 9.888
79 HZ2 LYS 11 HZ2 LYS 11 -3.171 -4.025 9.210
80 HZ3 LYS 11 HZ3 LYS 11 -4.161 -2.673 9.149
81 H ASP 12 H ASP 12 1.873 0.221 6.225
82 HA ASP 12 HA ASP 12 3.802 0.025 4.111
83 HB2 ASP 12 HB2 ASP 12 4.326 0.390 7.068
84 HB3 ASP 12 HB1 ASP 12 5.483 0.631 5.769
85 H GLU 13 H GLU 13 2.541 -2.124 6.353
86 HA GLU 13 HA GLU 13 4.686 -3.926 6.791
87 HB2 GLU 13 HB2 GLU 13 1.794 -4.607 6.520
88 HB3 GLU 13 HB1 GLU 13 3.007 -5.579 7.323
89 HG2 GLU 13 HG2 GLU 13 1.848 -2.959 8.233
90 HG3 GLU 13 HG1 GLU 13 1.786 -4.516 9.041
91 H ASP 14 H ASP 14 2.564 -3.367 4.185
92 HA ASP 14 HA ASP 14 2.860 -5.879 2.899
93 HB2 ASP 14 HB2 ASP 14 1.928 -3.213 1.814
94 HB3 ASP 14 HB1 ASP 14 1.856 -4.770 0.992
95 H CYS 15 H CYS 15 4.581 -2.923 2.983
96 HA CYS 15 HA CYS 15 6.073 -3.476 0.558
97 HB2 CYS 15 HB2 CYS 15 6.344 -1.197 2.497
98 HB3 CYS 15 HB1 CYS 15 6.953 -1.285 0.853
99 H CYS 16 H CYS 16 8.411 -3.409 0.643
100 HA CYS 16 HA CYS 16 9.568 -4.900 2.711
101 HB2 CYS 16 HB2 CYS 16 10.921 -3.290 0.558
102 HB3 CYS 16 HB1 CYS 16 11.621 -4.571 1.463
103 H LYS 17 H LYS 17 11.846 -3.982 3.432
104 HA LYS 17 HA LYS 17 11.330 -2.328 5.654
105 HB2 LYS 17 HB2 LYS 17 13.947 -3.034 4.361
106 HB3 LYS 17 HB1 LYS 17 13.786 -2.254 5.924
107 HG2 LYS 17 HG2 LYS 17 12.695 -4.935 5.207
108 HG3 LYS 17 HG1 LYS 17 14.257 -4.640 5.984
109 HD2 LYS 17 HD2 LYS 17 13.065 -3.527 7.858
110 HD3 LYS 17 HD1 LYS 17 11.532 -3.891 7.073
111 HE2 LYS 17 HE2 LYS 17 11.946 -5.507 8.824
112 HE3 LYS 17 HE1 LYS 17 12.041 -6.291 7.250
113 HZ1 LYS 17 HZ1 LYS 17 14.371 -5.398 8.853
114 HZ2 LYS 17 HZ2 LYS 17 14.439 -6.238 7.383
115 HZ3 LYS 17 HZ3 LYS 17 13.818 -6.987 8.748
116 H HIS 18 H HIS 18 13.251 -1.688 2.881
117 HA HIS 18 HA HIS 18 13.647 1.092 3.541
118 HB2 HIS 18 HB2 HIS 18 14.431 -0.478 1.075
119 HB3 HIS 18 HB1 HIS 18 14.798 1.223 1.290
120 HD1 HIS 18 HD1 HIS 18 17.095 1.627 2.211
121 HD2 HIS 18 HD2 HIS 18 15.575 -2.057 3.368
122 HE1 HIS 18 HE1 HIS 18 18.929 0.488 3.516
123 H LEU 19 H LEU 19 10.830 0.125 2.882
124 HA LEU 19 HA LEU 19 10.213 2.184 0.865
125 HB2 LEU 19 HB2 LEU 19 9.062 -0.608 1.016
126 HB3 LEU 19 HB1 LEU 19 8.509 0.656 -0.058
127 HG LEU 19 HG LEU 19 11.317 -0.462 -0.192
128 HD11 LEU 19 HD11 LEU 19 9.672 -2.247 -0.578
129 HD12 LEU 19 HD12 LEU 19 10.573 -1.775 -2.031
130 HD13 LEU 19 HD13 LEU 19 8.913 -1.225 -1.809
131 HD21 LEU 19 HD21 LEU 19 11.196 0.403 -2.470
132 HD22 LEU 19 HD22 LEU 19 11.056 1.661 -1.251
133 HD23 LEU 19 HD23 LEU 19 9.614 1.099 -2.114
134 H GLY 20 H GLY 20 7.916 2.703 0.872
135 HA2 GLY 20 HA2 GLY 20 6.498 2.241 3.374
136 HA3 GLY 20 HA1 GLY 20 6.844 3.910 2.905
137 H CYS 21 H CYS 21 4.267 2.591 3.112
138 HA CYS 21 HA CYS 21 3.441 2.094 0.373
139 HB2 CYS 21 HB2 CYS 21 2.561 0.652 2.108
140 HB3 CYS 21 HB1 CYS 21 1.947 2.032 2.999
141 H LYS 22 H LYS 22 2.584 3.599 -0.952
142 HA LYS 22 HA LYS 22 1.797 6.126 0.206
143 HB2 LYS 22 HB2 LYS 22 2.130 5.230 -2.632
144 HB3 LYS 22 HB1 LYS 22 1.216 6.678 -2.244
145 HG2 LYS 22 HG2 LYS 22 4.037 6.095 -1.582
146 HG3 LYS 22 HG1 LYS 22 3.490 7.250 -2.820
147 HD2 LYS 22 HD2 LYS 22 2.245 8.353 -0.830
148 HD3 LYS 22 HD1 LYS 22 3.287 7.403 0.189
149 HE2 LYS 22 HE2 LYS 22 4.157 9.466 -1.839
150 HE3 LYS 22 HE1 LYS 22 4.282 9.586 -0.085
151 HZ1 LYS 22 HZ1 LYS 22 5.878 7.594 -0.279
152 HZ2 LYS 22 HZ2 LYS 22 6.406 9.057 -0.827
153 HZ3 LYS 22 HZ3 LYS 22 5.894 7.926 -1.943
154 H ARG 23 H ARG 23 0.000 6.377 0.943
155 HA ARG 23 HA ARG 23 -2.156 4.580 0.469
156 HB2 ARG 23 HB2 ARG 23 -1.886 7.080 2.104
157 HB3 ARG 23 HB1 ARG 23 -3.427 6.273 1.905
158 HG2 ARG 23 HG2 ARG 23 -2.497 5.628 3.981
159 HG3 ARG 23 HG1 ARG 23 -2.409 4.242 2.873
160 HD2 ARG 23 HD2 ARG 23 -0.031 4.695 2.566
161 HD3 ARG 23 HD1 ARG 23 -0.169 6.085 3.636
162 HE ARG 23 HE ARG 23 -1.187 3.975 5.064
163 HH11 ARG 23 HH11 ARG 23 1.967 4.668 3.622
164 HH12 ARG 23 HH12 ARG 23 2.839 3.820 4.815
165 HH21 ARG 23 HH21 ARG 23 0.050 2.869 6.749
166 HH22 ARG 23 HH22 ARG 23 1.764 2.875 6.624
167 H LYS 24 H LYS 24 -1.030 7.180 -1.179
168 HA LYS 24 HA LYS 24 -3.662 8.162 -1.973
169 HB2 LYS 24 HB2 LYS 24 -1.754 9.744 -1.621
170 HB3 LYS 24 HB1 LYS 24 -0.913 8.980 -2.958
171 HG2 LYS 24 HG2 LYS 24 -1.886 11.018 -3.742
172 HG3 LYS 24 HG1 LYS 24 -2.788 9.675 -4.445
173 HD2 LYS 24 HD2 LYS 24 -4.514 9.951 -2.698
174 HD3 LYS 24 HD1 LYS 24 -3.610 11.317 -2.051
175 HE2 LYS 24 HE2 LYS 24 -5.398 12.164 -3.417
176 HE3 LYS 24 HE1 LYS 24 -3.873 12.464 -4.235
177 HZ1 LYS 24 HZ1 LYS 24 -5.748 10.249 -4.851
178 HZ2 LYS 24 HZ2 LYS 24 -4.313 10.581 -5.705
179 HZ3 LYS 24 HZ3 LYS 24 -5.590 11.663 -5.729
180 H MET 25 H MET 25 -1.143 6.088 -2.937
181 HA MET 25 HA MET 25 -2.231 5.903 -5.655
182 HB2 MET 25 HB2 MET 25 0.571 5.326 -4.710
183 HB3 MET 25 HB1 MET 25 -0.030 5.219 -6.340
184 HG2 MET 25 HG2 MET 25 0.118 7.733 -4.705
185 HG3 MET 25 HG1 MET 25 1.227 7.269 -5.994
186 HE1 MET 25 HE1 MET 25 0.627 7.265 -8.539
187 HE2 MET 25 HE2 MET 25 -0.998 7.545 -9.164
188 HE3 MET 25 HE3 MET 25 -0.654 6.087 -8.233
189 H LYS 26 H LYS 26 -1.557 4.211 -2.771
190 HA LYS 26 HA LYS 26 -1.871 2.188 -1.993
191 HB2 LYS 26 HB2 LYS 26 -3.379 1.608 -4.552
192 HB3 LYS 26 HB1 LYS 26 -3.358 0.583 -3.130
193 HG2 LYS 26 HG2 LYS 26 -4.524 3.356 -3.333
194 HG3 LYS 26 HG1 LYS 26 -5.402 1.844 -3.110
195 HD2 LYS 26 HD2 LYS 26 -3.399 2.994 -1.192
196 HD3 LYS 26 HD1 LYS 26 -5.149 3.167 -0.996
197 HE2 LYS 26 HE2 LYS 26 -3.551 0.584 -0.968
198 HE3 LYS 26 HE1 LYS 26 -4.258 1.375 0.430
199 HZ1 LYS 26 HZ1 LYS 26 -5.836 0.277 -1.843
200 HZ2 LYS 26 HZ2 LYS 26 -6.450 0.854 -0.363
201 HZ3 LYS 26 HZ3 LYS 26 -5.503 -0.533 -0.418
202 H TYR 27 H TYR 27 0.372 2.815 -3.077
203 HA TYR 27 HA TYR 27 1.376 0.162 -3.588
204 HB2 TYR 27 HB2 TYR 27 2.792 0.580 -5.497
205 HB3 TYR 27 HB1 TYR 27 1.126 0.845 -5.922
206 HD1 TYR 27 HD1 TYR 27 4.129 2.789 -4.766
207 HD2 TYR 27 HD2 TYR 27 0.709 2.709 -7.285
208 HE1 TYR 27 HE1 TYR 27 4.830 4.914 -5.750
209 HE2 TYR 27 HE2 TYR 27 1.395 4.853 -8.267
210 HH TYR 27 HH TYR 27 4.507 6.240 -7.697
211 H CYS 28 H CYS 28 3.634 -0.060 -3.519
212 HA CYS 28 HA CYS 28 4.599 1.432 -1.272
213 HB2 CYS 28 HB2 CYS 28 5.898 -0.783 -2.850
214 HB3 CYS 28 HB1 CYS 28 6.471 -0.140 -1.313
215 H ALA 29 H ALA 29 5.955 3.009 -1.269
216 HA ALA 29 HA ALA 29 7.486 3.661 -3.677
217 HB1 ALA 29 HB1 ALA 29 7.267 6.018 -2.962
218 HB2 ALA 29 HB2 ALA 29 6.240 5.504 -1.628
219 HB3 ALA 29 HB3 ALA 29 5.694 5.295 -3.293
220 H TRP 30 H TRP 30 9.269 5.436 -2.541
221 HA TRP 30 HA TRP 30 10.754 3.589 -0.969
222 HB2 TRP 30 HB2 TRP 30 11.473 6.328 -1.970
223 HB3 TRP 30 HB1 TRP 30 12.549 5.355 -0.981
224 HD1 TRP 30 HD TRP 30 11.515 5.849 -4.510
225 HE1 TRP 30 HE1 TRP 30 12.622 4.050 -5.989
226 HE3 TRP 30 HE3 TRP 30 13.159 2.912 -0.911
227 HZ2 TRP 30 HZ2 TRP 30 14.046 1.611 -5.610
228 HZ3 TRP 30 HZ3 TRP 30 14.442 0.797 -1.445
229 HH2 TRP 30 HH TRP 30 14.854 0.188 -3.769
230 H ASP 31 H ASP 31 8.456 5.713 -0.066
231 HA ASP 31 HA ASP 31 8.969 5.400 2.641
232 HB2 ASP 31 HB2 ASP 31 10.572 7.191 1.966
233 HB3 ASP 31 HB1 ASP 31 9.208 8.206 1.496
234 H PHE 32 H PHE 32 7.201 6.529 3.665
235 HA PHE 32 HA PHE 32 4.771 6.327 2.072
236 HB2 PHE 32 HB2 PHE 32 3.553 6.552 4.219
237 HB3 PHE 32 HB1 PHE 32 4.743 5.263 4.278
238 HD1 PHE 32 HD1 PHE 32 6.792 5.535 5.614
239 HD2 PHE 32 HD2 PHE 32 3.729 8.499 5.631
240 HE1 PHE 32 HE1 PHE 32 7.739 6.507 7.656
241 HE2 PHE 32 HE2 PHE 32 4.672 9.462 7.674
242 HZ PHE 32 HZ PHE 32 6.681 8.472 8.693
243 H THR 33 H THR 33 6.892 8.685 3.220
244 HA THR 33 HA THR 33 5.007 10.880 3.093
245 HB THR 33 HB THR 33 8.004 11.113 3.384
246 HG1 THR 33 HG1 THR 33 7.451 9.543 4.826
247 HG21 THR 33 HG21 THR 33 7.372 12.998 4.833
248 HG22 THR 33 HG22 THR 33 5.671 12.585 4.605
249 HG23 THR 33 HG23 THR 33 6.627 13.160 3.236
250 H PHE 34 H PHE 34 5.373 12.613 1.554
251 HA PHE 34 HA PHE 34 7.063 11.934 -0.737
252 HB2 PHE 34 HB2 PHE 34 4.638 11.669 -1.264
253 HB3 PHE 34 HB1 PHE 34 4.381 13.351 -0.816
254 HD1 PHE 34 HD1 PHE 34 5.938 11.100 -3.262
255 HD2 PHE 34 HD2 PHE 34 4.930 15.124 -2.328
256 HE1 PHE 34 HE1 PHE 34 6.445 11.762 -5.568
257 HE2 PHE 34 HE2 PHE 34 5.442 15.792 -4.636
258 HZ PHE 34 HZ PHE 34 6.201 14.110 -6.260
259 H THR 35 H THR 35 8.749 13.244 -0.292
260 HA THR 35 HA THR 35 8.259 16.090 -0.339
261 HB THR 35 HB THR 35 9.763 14.836 1.987
262 HG1 THR 35 HG1 THR 35 7.185 15.435 1.589
263 HG21 THR 35 HG21 THR 35 9.130 17.737 1.383
264 HG22 THR 35 HG22 THR 35 10.727 16.995 1.275
265 HG23 THR 35 HG23 THR 35 9.925 17.139 2.840
Start of MODEL 3
1 H1 ASP 1 HT1 ASP 1 6.607 -13.313 1.566
2 H2 ASP 1 HT2 ASP 1 5.187 -12.404 1.430
3 H3 ASP 1 HT3 ASP 1 6.395 -11.882 2.436
4 HA ASP 1 HA ASP 1 7.833 -11.479 0.585
5 HB2 ASP 1 HB2 ASP 1 6.956 -11.615 -1.703
6 HB3 ASP 1 HB1 ASP 1 6.843 -13.196 -0.945
7 H CYS 2 H CYS 2 7.940 -9.334 0.215
8 HA CYS 2 HA CYS 2 5.689 -7.724 1.132
9 HB2 CYS 2 HB2 CYS 2 7.305 -6.024 1.308
10 HB3 CYS 2 HB1 CYS 2 7.961 -7.451 2.093
11 H ARG 3 H ARG 3 5.934 -5.567 -0.008
12 HA ARG 3 HA ARG 3 6.076 -6.009 -2.869
13 HB2 ARG 3 HB2 ARG 3 4.349 -4.178 -1.256
14 HB3 ARG 3 HB1 ARG 3 4.701 -3.796 -2.930
15 HG2 ARG 3 HG2 ARG 3 2.625 -4.909 -2.958
16 HG3 ARG 3 HG1 ARG 3 3.797 -6.121 -3.473
17 HD2 ARG 3 HD2 ARG 3 3.886 -6.909 -1.119
18 HD3 ARG 3 HD1 ARG 3 2.578 -5.763 -0.787
19 HE ARG 3 HE ARG 3 1.126 -7.024 -2.081
20 HH11 ARG 3 HH11 ARG 3 4.333 -8.520 -1.957
21 HH12 ARG 3 HH12 ARG 3 3.789 -10.110 -2.156
22 HH21 ARG 3 HH21 ARG 3 0.339 -9.258 -2.372
23 HH22 ARG 3 HH22 ARG 3 1.459 -10.530 -2.421
24 H TYR 4 H TYR 4 7.408 -4.831 -3.996
25 HA TYR 4 HA TYR 4 9.094 -3.014 -2.589
26 HB2 TYR 4 HB2 TYR 4 9.210 -4.498 -5.193
27 HB3 TYR 4 HB1 TYR 4 10.368 -3.258 -4.751
28 HD1 TYR 4 HD1 TYR 4 11.511 -3.572 -2.413
29 HD2 TYR 4 HD2 TYR 4 9.657 -6.721 -4.588
30 HE1 TYR 4 HE1 TYR 4 12.806 -5.208 -1.124
31 HE2 TYR 4 HE2 TYR 4 10.953 -8.373 -3.299
32 HH TYR 4 HH TYR 4 13.119 -8.399 -2.030
33 H MET 5 H MET 5 9.727 -1.569 -5.076
34 HA MET 5 HA MET 5 7.681 0.362 -4.709
35 HB2 MET 5 HB2 MET 5 10.170 0.758 -5.392
36 HB3 MET 5 HB1 MET 5 9.604 0.431 -7.016
37 HG2 MET 5 HG2 MET 5 7.968 2.235 -6.802
38 HG3 MET 5 HG1 MET 5 8.565 2.565 -5.178
39 HE1 MET 5 HE1 MET 5 8.373 4.977 -6.808
40 HE2 MET 5 HE2 MET 5 10.002 5.675 -6.771
41 HE3 MET 5 HE3 MET 5 9.332 4.937 -5.320
42 H PHE 6 H PHE 6 5.992 0.855 -5.827
43 HA PHE 6 HA PHE 6 4.290 0.798 -7.282
44 HB2 PHE 6 HB2 PHE 6 6.072 -0.856 -9.109
45 HB3 PHE 6 HB1 PHE 6 4.501 -0.205 -9.559
46 HD1 PHE 6 HD1 PHE 6 8.015 0.501 -9.057
47 HD2 PHE 6 HD2 PHE 6 4.214 2.237 -9.835
48 HE1 PHE 6 HE1 PHE 6 9.122 2.555 -9.745
49 HE2 PHE 6 HE2 PHE 6 5.314 4.322 -10.549
50 HZ PHE 6 HZ PHE 6 7.774 4.492 -10.510
51 H GLY 7 H GLY 7 5.318 -1.577 -5.464
52 HA2 GLY 7 HA2 GLY 7 3.413 -3.590 -6.279
53 HA3 GLY 7 HA1 GLY 7 4.460 -3.654 -4.865
54 H ASP 8 H ASP 8 1.668 -4.195 -4.963
55 HA ASP 8 HA ASP 8 0.093 -1.941 -4.170
56 HB2 ASP 8 HB2 ASP 8 -0.978 -3.573 -5.300
57 HB3 ASP 8 HB1 ASP 8 -0.339 -4.871 -4.281
58 H CYS 9 H CYS 9 -0.671 -1.386 -2.235
59 HA CYS 9 HA CYS 9 0.154 -2.951 0.061
60 HB2 CYS 9 HB2 CYS 9 1.453 -1.215 1.052
61 HB3 CYS 9 HB1 CYS 9 1.955 -1.493 -0.630
62 H GLU 10 H GLU 10 -1.048 -2.520 1.915
63 HA GLU 10 HA GLU 10 -3.180 -0.510 1.674
64 HB2 GLU 10 HB2 GLU 10 -2.975 -2.865 3.540
65 HB3 GLU 10 HB1 GLU 10 -4.345 -1.789 3.353
66 HG2 GLU 10 HG2 GLU 10 -4.684 -2.631 1.094
67 HG3 GLU 10 HG1 GLU 10 -3.302 -3.714 1.305
68 H LYS 11 H LYS 11 -0.537 -1.896 3.507
69 HA LYS 11 HA LYS 11 -0.475 0.374 5.302
70 HB2 LYS 11 HB2 LYS 11 -0.101 -1.170 7.136
71 HB3 LYS 11 HB1 LYS 11 -1.668 -1.453 6.415
72 HG2 LYS 11 HG2 LYS 11 -0.238 -3.231 5.019
73 HG3 LYS 11 HG1 LYS 11 0.771 -3.114 6.458
74 HD2 LYS 11 HD2 LYS 11 -0.663 -4.887 6.939
75 HD3 LYS 11 HD1 LYS 11 -1.400 -3.505 7.752
76 HE2 LYS 11 HE2 LYS 11 -3.147 -4.734 6.632
77 HE3 LYS 11 HE1 LYS 11 -2.903 -3.213 5.779
78 HZ1 LYS 11 HZ1 LYS 11 -3.124 -5.011 4.196
79 HZ2 LYS 11 HZ2 LYS 11 -1.925 -5.899 4.952
80 HZ3 LYS 11 HZ3 LYS 11 -1.512 -4.484 4.125
81 H ASP 12 H ASP 12 1.645 0.035 6.525
82 HA ASP 12 HA ASP 12 3.674 0.040 4.460
83 HB2 ASP 12 HB2 ASP 12 4.005 0.441 7.432
84 HB3 ASP 12 HB1 ASP 12 5.297 0.643 6.252
85 H GLU 13 H GLU 13 2.466 -2.241 6.518
86 HA GLU 13 HA GLU 13 4.718 -3.948 6.952
87 HB2 GLU 13 HB2 GLU 13 1.819 -4.664 6.753
88 HB3 GLU 13 HB1 GLU 13 3.068 -5.655 7.440
89 HG2 GLU 13 HG2 GLU 13 3.455 -4.139 9.266
90 HG3 GLU 13 HG1 GLU 13 2.371 -2.945 8.560
91 H ASP 14 H ASP 14 2.539 -3.366 4.360
92 HA ASP 14 HA ASP 14 2.873 -5.882 3.068
93 HB2 ASP 14 HB2 ASP 14 1.819 -3.273 1.910
94 HB3 ASP 14 HB1 ASP 14 1.805 -4.868 1.163
95 H CYS 15 H CYS 15 4.575 -2.902 3.133
96 HA CYS 15 HA CYS 15 6.086 -3.549 0.723
97 HB2 CYS 15 HB2 CYS 15 6.451 -1.149 2.492
98 HB3 CYS 15 HB1 CYS 15 6.902 -1.357 0.817
99 H CYS 16 H CYS 16 8.359 -3.651 0.816
100 HA CYS 16 HA CYS 16 9.439 -4.735 3.175
101 HB2 CYS 16 HB2 CYS 16 10.540 -4.189 0.497
102 HB3 CYS 16 HB1 CYS 16 11.660 -4.329 1.769
103 H LYS 17 H LYS 17 11.762 -3.982 3.470
104 HA LYS 17 HA LYS 17 11.709 -2.210 5.581
105 HB2 LYS 17 HB2 LYS 17 14.115 -2.850 3.912
106 HB3 LYS 17 HB1 LYS 17 14.090 -2.336 5.593
107 HG2 LYS 17 HG2 LYS 17 12.872 -4.311 6.163
108 HG3 LYS 17 HG1 LYS 17 12.956 -4.884 4.506
109 HD2 LYS 17 HD2 LYS 17 15.432 -4.826 4.628
110 HD3 LYS 17 HD1 LYS 17 15.310 -4.382 6.330
111 HE2 LYS 17 HE2 LYS 17 14.169 -6.460 6.829
112 HE3 LYS 17 HE1 LYS 17 14.192 -6.905 5.126
113 HZ1 LYS 17 HZ1 LYS 17 15.942 -8.002 6.374
114 HZ2 LYS 17 HZ2 LYS 17 16.586 -6.537 6.849
115 HZ3 LYS 17 HZ3 LYS 17 16.603 -6.985 5.212
116 H HIS 18 H HIS 18 13.284 -1.649 2.593
117 HA HIS 18 HA HIS 18 13.891 1.122 3.197
118 HB2 HIS 18 HB2 HIS 18 14.266 -0.340 0.576
119 HB3 HIS 18 HB1 HIS 18 14.931 1.235 0.973
120 HD1 HIS 18 HD1 HIS 18 15.871 -2.215 0.889
121 HD2 HIS 18 HD2 HIS 18 16.712 1.010 3.362
122 HE1 HIS 18 HE1 HIS 18 17.960 -2.837 2.153
123 H LEU 19 H LEU 19 10.986 0.180 2.685
124 HA LEU 19 HA LEU 19 10.302 2.413 0.935
125 HB2 LEU 19 HB2 LEU 19 9.217 -0.390 0.702
126 HB3 LEU 19 HB1 LEU 19 8.510 0.996 -0.087
127 HG LEU 19 HG LEU 19 11.034 1.140 -1.030
128 HD11 LEU 19 HD11 LEU 19 11.774 -1.072 -1.693
129 HD12 LEU 19 HD12 LEU 19 10.523 -1.797 -0.685
130 HD13 LEU 19 HD13 LEU 19 11.820 -0.853 0.058
131 HD21 LEU 19 HD21 LEU 19 8.791 -0.499 -2.151
132 HD22 LEU 19 HD22 LEU 19 10.180 0.100 -3.055
133 HD23 LEU 19 HD23 LEU 19 9.032 1.236 -2.348
134 H GLY 20 H GLY 20 7.870 2.647 0.962
135 HA2 GLY 20 HA2 GLY 20 6.617 1.929 3.472
136 HA3 GLY 20 HA1 GLY 20 6.845 3.652 3.128
137 H CYS 21 H CYS 21 4.281 2.520 3.358
138 HA CYS 21 HA CYS 21 3.422 1.976 0.645
139 HB2 CYS 21 HB2 CYS 21 2.479 0.616 2.395
140 HB3 CYS 21 HB1 CYS 21 1.916 2.044 3.254
141 H LYS 22 H LYS 22 2.575 3.429 -0.714
142 HA LYS 22 HA LYS 22 1.636 5.917 0.426
143 HB2 LYS 22 HB2 LYS 22 2.236 5.187 -2.424
144 HB3 LYS 22 HB1 LYS 22 1.501 6.704 -1.924
145 HG2 LYS 22 HG2 LYS 22 4.073 5.635 -1.024
146 HG3 LYS 22 HG1 LYS 22 3.933 6.874 -2.297
147 HD2 LYS 22 HD2 LYS 22 2.803 8.316 -0.568
148 HD3 LYS 22 HD1 LYS 22 3.146 7.075 0.625
149 HE2 LYS 22 HE2 LYS 22 5.539 7.284 0.241
150 HE3 LYS 22 HE1 LYS 22 5.255 8.455 -1.039
151 HZ1 LYS 22 HZ1 LYS 22 4.505 10.039 0.560
152 HZ2 LYS 22 HZ2 LYS 22 5.968 9.373 1.117
153 HZ3 LYS 22 HZ3 LYS 22 4.516 8.896 1.804
154 H ARG 23 H ARG 23 -0.222 5.829 1.039
155 HA ARG 23 HA ARG 23 -2.130 3.973 0.064
156 HB2 ARG 23 HB2 ARG 23 -2.447 6.283 1.974
157 HB3 ARG 23 HB1 ARG 23 -3.704 5.122 1.606
158 HG2 ARG 23 HG2 ARG 23 -2.862 4.291 3.614
159 HG3 ARG 23 HG1 ARG 23 -1.956 3.402 2.375
160 HD2 ARG 23 HD2 ARG 23 -0.017 4.645 2.734
161 HD3 ARG 23 HD1 ARG 23 -0.869 5.846 3.716
162 HE ARG 23 HE ARG 23 -1.368 3.679 5.106
163 HH11 ARG 23 HH11 ARG 23 1.788 4.649 3.758
164 HH12 ARG 23 HH12 ARG 23 2.640 3.810 4.971
165 HH21 ARG 23 HH21 ARG 23 -0.143 2.648 6.730
166 HH22 ARG 23 HH22 ARG 23 1.572 2.770 6.706
167 H LYS 24 H LYS 24 -1.029 6.711 -1.260
168 HA LYS 24 HA LYS 24 -3.634 7.770 -2.078
169 HB2 LYS 24 HB2 LYS 24 -0.854 8.755 -2.777
170 HB3 LYS 24 HB1 LYS 24 -2.363 9.584 -3.127
171 HG2 LYS 24 HG2 LYS 24 -1.191 9.060 -0.398
172 HG3 LYS 24 HG1 LYS 24 -1.279 10.614 -1.229
173 HD2 LYS 24 HD2 LYS 24 -3.715 10.528 -1.156
174 HD3 LYS 24 HD1 LYS 24 -3.642 8.942 -0.387
175 HE2 LYS 24 HE2 LYS 24 -2.450 9.962 1.513
176 HE3 LYS 24 HE1 LYS 24 -2.642 11.541 0.759
177 HZ1 LYS 24 HZ1 LYS 24 -5.033 11.264 0.875
178 HZ2 LYS 24 HZ2 LYS 24 -4.351 11.124 2.414
179 HZ3 LYS 24 HZ3 LYS 24 -4.843 9.745 1.579
180 H MET 25 H MET 25 -0.945 5.956 -3.148
181 HA MET 25 HA MET 25 -2.066 5.851 -5.841
182 HB2 MET 25 HB2 MET 25 0.784 5.460 -4.942
183 HB3 MET 25 HB1 MET 25 0.178 5.197 -6.542
184 HG2 MET 25 HG2 MET 25 0.133 7.835 -5.104
185 HG3 MET 25 HG1 MET 25 1.280 7.359 -6.354
186 HE1 MET 25 HE1 MET 25 0.600 6.938 -8.909
187 HE2 MET 25 HE2 MET 25 -1.041 7.113 -9.527
188 HE3 MET 25 HE3 MET 25 -0.652 5.788 -8.433
189 H LYS 26 H LYS 26 -1.692 4.126 -3.043
190 HA LYS 26 HA LYS 26 -1.991 2.024 -2.374
191 HB2 LYS 26 HB2 LYS 26 -3.036 1.485 -5.163
192 HB3 LYS 26 HB1 LYS 26 -3.212 0.419 -3.782
193 HG2 LYS 26 HG2 LYS 26 -4.456 3.118 -4.184
194 HG3 LYS 26 HG1 LYS 26 -5.269 1.558 -3.994
195 HD2 LYS 26 HD2 LYS 26 -4.305 1.405 -1.716
196 HD3 LYS 26 HD1 LYS 26 -3.636 3.017 -1.949
197 HE2 LYS 26 HE2 LYS 26 -5.934 3.884 -2.282
198 HE3 LYS 26 HE1 LYS 26 -6.561 2.274 -1.932
199 HZ1 LYS 26 HZ1 LYS 26 -5.521 2.435 0.285
200 HZ2 LYS 26 HZ2 LYS 26 -6.642 3.665 0.024
201 HZ3 LYS 26 HZ3 LYS 26 -5.009 3.995 -0.098
202 H TYR 27 H TYR 27 0.425 2.826 -3.353
203 HA TYR 27 HA TYR 27 1.521 0.204 -3.622
204 HB2 TYR 27 HB2 TYR 27 3.024 0.562 -5.484
205 HB3 TYR 27 HB1 TYR 27 1.364 0.704 -5.992
206 HD1 TYR 27 HD1 TYR 27 0.777 2.537 -7.340
207 HD2 TYR 27 HD2 TYR 27 4.339 2.775 -5.028
208 HE1 TYR 27 HE1 TYR 27 1.395 4.615 -8.491
209 HE2 TYR 27 HE2 TYR 27 4.951 4.852 -6.165
210 HH TYR 27 HH TYR 27 4.481 5.914 -8.333
211 H CYS 28 H CYS 28 3.747 0.048 -3.423
212 HA CYS 28 HA CYS 28 4.591 1.676 -1.224
213 HB2 CYS 28 HB2 CYS 28 6.044 -0.562 -2.624
214 HB3 CYS 28 HB1 CYS 28 6.419 0.111 -1.041
215 H ALA 29 H ALA 29 5.957 3.259 -1.266
216 HA ALA 29 HA ALA 29 7.577 3.767 -3.661
217 HB1 ALA 29 HB1 ALA 29 6.399 5.734 -1.676
218 HB2 ALA 29 HB2 ALA 29 5.886 5.514 -3.351
219 HB3 ALA 29 HB3 ALA 29 7.494 6.154 -2.995
220 H TRP 30 H TRP 30 9.467 5.467 -2.552
221 HA TRP 30 HA TRP 30 10.846 3.513 -1.024
222 HB2 TRP 30 HB2 TRP 30 11.710 6.235 -1.934
223 HB3 TRP 30 HB1 TRP 30 12.747 5.130 -1.047
224 HD1 TRP 30 HD TRP 30 11.759 6.033 -4.425
225 HE1 TRP 30 HE1 TRP 30 12.661 4.266 -6.117
226 HE3 TRP 30 HE3 TRP 30 12.959 2.545 -1.177
227 HZ2 TRP 30 HZ2 TRP 30 13.738 1.659 -5.990
228 HZ3 TRP 30 HZ3 TRP 30 13.943 0.349 -1.938
229 HH2 TRP 30 HH TRP 30 14.310 -0.054 -4.319
230 H ASP 31 H ASP 31 8.577 5.538 0.018
231 HA ASP 31 HA ASP 31 9.474 5.515 2.661
232 HB2 ASP 31 HB2 ASP 31 9.440 7.861 3.061
233 HB3 ASP 31 HB1 ASP 31 10.515 7.558 1.694
234 H PHE 32 H PHE 32 7.755 5.994 3.910
235 HA PHE 32 HA PHE 32 5.160 5.995 2.562
236 HB2 PHE 32 HB2 PHE 32 4.183 5.633 4.901
237 HB3 PHE 32 HB1 PHE 32 5.090 4.311 4.207
238 HD1 PHE 32 HD1 PHE 32 7.158 3.572 5.218
239 HD2 PHE 32 HD2 PHE 32 5.021 6.882 6.799
240 HE1 PHE 32 HE1 PHE 32 8.471 3.419 7.281
241 HE2 PHE 32 HE2 PHE 32 6.343 6.747 8.873
242 HZ PHE 32 HZ PHE 32 8.069 5.008 9.114
243 H THR 33 H THR 33 7.197 7.940 4.546
244 HA THR 33 HA THR 33 6.051 10.303 3.681
245 HB THR 33 HB THR 33 4.335 9.648 5.499
246 HG1 THR 33 HG1 THR 33 4.093 11.667 5.957
247 HG21 THR 33 HG21 THR 33 5.937 8.617 7.084
248 HG22 THR 33 HG22 THR 33 4.991 9.902 7.836
249 HG23 THR 33 HG23 THR 33 6.658 10.204 7.351
250 H PHE 34 H PHE 34 7.306 12.100 4.768
251 HA PHE 34 HA PHE 34 10.059 11.378 4.999
252 HB2 PHE 34 HB2 PHE 34 9.309 13.501 3.971
253 HB3 PHE 34 HB1 PHE 34 8.669 14.024 5.520
254 HD1 PHE 34 HD1 PHE 34 10.144 14.847 7.247
255 HD2 PHE 34 HD2 PHE 34 11.697 13.446 3.545
256 HE1 PHE 34 HE1 PHE 34 12.304 15.901 7.764
257 HE2 PHE 34 HE2 PHE 34 13.864 14.496 4.059
258 HZ PHE 34 HZ PHE 34 14.168 15.722 6.168
259 H THR 35 H THR 35 10.697 10.347 6.786
260 HA THR 35 HA THR 35 9.591 11.153 9.355
261 HB THR 35 HB THR 35 10.682 8.968 10.107
262 HG1 THR 35 HG1 THR 35 11.584 7.762 8.640
263 HG21 THR 35 HG21 THR 35 8.838 7.606 9.211
264 HG22 THR 35 HG22 THR 35 8.500 8.856 8.015
265 HG23 THR 35 HG23 THR 35 8.259 9.189 9.729
Start of MODEL 4
1 H1 ASP 1 HT1 ASP 1 8.069 -13.745 1.399
2 H2 ASP 1 HT2 ASP 1 6.661 -12.871 1.082
3 H3 ASP 1 HT3 ASP 1 7.554 -12.518 2.455
4 HA ASP 1 HA ASP 1 9.377 -11.729 1.078
5 HB2 ASP 1 HB2 ASP 1 9.042 -11.435 -1.312
6 HB3 ASP 1 HB1 ASP 1 8.741 -13.125 -0.935
7 H CYS 2 H CYS 2 9.336 -9.388 0.522
8 HA CYS 2 HA CYS 2 6.834 -8.234 1.410
9 HB2 CYS 2 HB2 CYS 2 8.192 -6.196 1.580
10 HB3 CYS 2 HB1 CYS 2 8.593 -7.439 2.748
11 H ARG 3 H ARG 3 6.212 -6.344 0.398
12 HA ARG 3 HA ARG 3 6.276 -6.771 -2.461
13 HB2 ARG 3 HB2 ARG 3 4.181 -6.301 -1.039
14 HB3 ARG 3 HB1 ARG 3 4.716 -4.631 -1.019
15 HG2 ARG 3 HG2 ARG 3 3.034 -4.988 -2.735
16 HG3 ARG 3 HG1 ARG 3 4.599 -4.561 -3.443
17 HD2 ARG 3 HD2 ARG 3 3.448 -6.411 -4.647
18 HD3 ARG 3 HD1 ARG 3 5.029 -6.861 -4.037
19 HE ARG 3 HE ARG 3 2.478 -7.619 -2.747
20 HH11 ARG 3 HH11 ARG 3 5.828 -8.431 -3.592
21 HH12 ARG 3 HH12 ARG 3 5.765 -10.001 -2.926
22 HH21 ARG 3 HH21 ARG 3 2.373 -9.779 -1.901
23 HH22 ARG 3 HH22 ARG 3 3.723 -10.806 -2.005
24 H TYR 4 H TYR 4 7.421 -5.489 -3.901
25 HA TYR 4 HA TYR 4 9.108 -3.518 -2.744
26 HB2 TYR 4 HB2 TYR 4 8.964 -4.892 -5.393
27 HB3 TYR 4 HB1 TYR 4 10.111 -3.641 -5.038
28 HD1 TYR 4 HD1 TYR 4 11.394 -4.117 -2.576
29 HD2 TYR 4 HD2 TYR 4 9.810 -7.045 -5.258
30 HE1 TYR 4 HE1 TYR 4 12.924 -5.753 -1.688
31 HE2 TYR 4 HE2 TYR 4 11.354 -8.706 -4.319
32 HH TYR 4 HH TYR 4 13.527 -8.751 -3.116
33 H MET 5 H MET 5 9.544 -1.962 -5.018
34 HA MET 5 HA MET 5 7.603 0.067 -4.569
35 HB2 MET 5 HB2 MET 5 10.109 0.294 -5.284
36 HB3 MET 5 HB1 MET 5 9.475 0.067 -6.904
37 HG2 MET 5 HG2 MET 5 8.046 1.987 -6.661
38 HG3 MET 5 HG1 MET 5 8.574 2.174 -4.989
39 HE1 MET 5 HE1 MET 5 10.240 5.262 -6.599
40 HE2 MET 5 HE2 MET 5 9.339 4.648 -5.221
41 HE3 MET 5 HE3 MET 5 8.610 4.610 -6.835
42 H PHE 6 H PHE 6 5.985 0.799 -5.701
43 HA PHE 6 HA PHE 6 4.279 0.934 -7.139
44 HB2 PHE 6 HB2 PHE 6 5.969 -0.714 -9.035
45 HB3 PHE 6 HB1 PHE 6 4.449 0.063 -9.462
46 HD1 PHE 6 HD1 PHE 6 4.308 2.529 -9.498
47 HD2 PHE 6 HD2 PHE 6 7.982 0.483 -8.931
48 HE1 PHE 6 HE1 PHE 6 5.541 4.585 -10.073
49 HE2 PHE 6 HE2 PHE 6 9.222 2.497 -9.476
50 HZ PHE 6 HZ PHE 6 8.006 4.575 -10.069
51 H GLY 7 H GLY 7 5.021 -1.588 -5.457
52 HA2 GLY 7 HA2 GLY 7 2.996 -3.350 -6.509
53 HA3 GLY 7 HA1 GLY 7 4.004 -3.634 -5.089
54 H ASP 8 H ASP 8 1.055 -3.593 -5.661
55 HA ASP 8 HA ASP 8 -0.297 -1.495 -4.399
56 HB2 ASP 8 HB2 ASP 8 -1.435 -2.962 -5.720
57 HB3 ASP 8 HB1 ASP 8 -0.994 -4.390 -4.779
58 H CYS 9 H CYS 9 -1.068 -1.189 -2.367
59 HA CYS 9 HA CYS 9 -0.145 -3.032 -0.332
60 HB2 CYS 9 HB2 CYS 9 1.218 -1.420 0.813
61 HB3 CYS 9 HB1 CYS 9 1.660 -1.566 -0.903
62 H GLU 10 H GLU 10 -1.109 -2.754 1.665
63 HA GLU 10 HA GLU 10 -3.340 -0.851 1.776
64 HB2 GLU 10 HB2 GLU 10 -3.026 -3.635 2.860
65 HB3 GLU 10 HB1 GLU 10 -4.243 -2.531 3.483
66 HG2 GLU 10 HG2 GLU 10 -4.038 -3.230 0.576
67 HG3 GLU 10 HG1 GLU 10 -4.998 -4.176 1.711
68 H LYS 11 H LYS 11 -0.610 -2.367 3.394
69 HA LYS 11 HA LYS 11 -0.472 -0.093 5.153
70 HB2 LYS 11 HB2 LYS 11 0.278 -1.699 6.966
71 HB3 LYS 11 HB1 LYS 11 -1.444 -1.631 6.644
72 HG2 LYS 11 HG2 LYS 11 -1.313 -3.713 5.399
73 HG3 LYS 11 HG1 LYS 11 0.437 -3.758 5.625
74 HD2 LYS 11 HD2 LYS 11 0.189 -4.004 7.993
75 HD3 LYS 11 HD1 LYS 11 -1.544 -3.705 7.885
76 HE2 LYS 11 HE2 LYS 11 -1.864 -5.785 6.688
77 HE3 LYS 11 HE1 LYS 11 -0.122 -6.055 6.644
78 HZ1 LYS 11 HZ1 LYS 11 -0.058 -6.412 8.950
79 HZ2 LYS 11 HZ2 LYS 11 -1.408 -7.283 8.423
80 HZ3 LYS 11 HZ3 LYS 11 -1.617 -5.806 9.187
81 H ASP 12 H ASP 12 1.661 -0.010 6.119
82 HA ASP 12 HA ASP 12 3.572 -0.151 3.999
83 HB2 ASP 12 HB2 ASP 12 3.972 0.512 6.921
84 HB3 ASP 12 HB1 ASP 12 5.157 0.777 5.645
85 H GLU 13 H GLU 13 2.528 -2.223 6.329
86 HA GLU 13 HA GLU 13 4.833 -3.708 7.040
87 HB2 GLU 13 HB2 GLU 13 2.478 -3.621 8.105
88 HB3 GLU 13 HB1 GLU 13 2.087 -4.734 6.793
89 HG2 GLU 13 HG2 GLU 13 3.452 -6.427 7.637
90 HG3 GLU 13 HG1 GLU 13 4.281 -5.328 8.744
91 H ASP 14 H ASP 14 2.626 -3.680 4.382
92 HA ASP 14 HA ASP 14 3.054 -6.310 3.433
93 HB2 ASP 14 HB2 ASP 14 2.125 -3.888 1.854
94 HB3 ASP 14 HB1 ASP 14 1.996 -5.584 1.421
95 H CYS 15 H CYS 15 4.615 -3.216 2.976
96 HA CYS 15 HA CYS 15 6.260 -4.396 0.901
97 HB2 CYS 15 HB2 CYS 15 5.953 -1.502 1.688
98 HB3 CYS 15 HB1 CYS 15 6.923 -2.133 0.366
99 H CYS 16 H CYS 16 8.523 -3.730 0.850
100 HA CYS 16 HA CYS 16 9.861 -4.696 3.084
101 HB2 CYS 16 HB2 CYS 16 11.072 -3.082 0.871
102 HB3 CYS 16 HB1 CYS 16 11.811 -4.371 1.748
103 H LYS 17 H LYS 17 11.872 -3.398 3.850
104 HA LYS 17 HA LYS 17 10.770 -1.334 5.553
105 HB2 LYS 17 HB2 LYS 17 13.548 -2.476 5.465
106 HB3 LYS 17 HB1 LYS 17 12.842 -1.519 6.766
107 HG2 LYS 17 HG2 LYS 17 11.067 -3.183 6.865
108 HG3 LYS 17 HG1 LYS 17 12.012 -4.200 5.814
109 HD2 LYS 17 HD2 LYS 17 13.869 -4.290 7.357
110 HD3 LYS 17 HD1 LYS 17 13.056 -3.173 8.454
111 HE2 LYS 17 HE2 LYS 17 12.900 -5.507 9.194
112 HE3 LYS 17 HE1 LYS 17 11.323 -4.794 8.900
113 HZ1 LYS 17 HZ1 LYS 17 11.273 -5.954 6.740
114 HZ2 LYS 17 HZ2 LYS 17 11.432 -7.022 7.999
115 HZ3 LYS 17 HZ3 LYS 17 12.770 -6.647 7.070
116 H HIS 18 H HIS 18 12.854 -1.612 3.017
117 HA HIS 18 HA HIS 18 13.909 1.095 3.114
118 HB2 HIS 18 HB2 HIS 18 13.989 -0.822 0.744
119 HB3 HIS 18 HB1 HIS 18 14.831 0.704 0.850
120 HD1 HIS 18 HD1 HIS 18 15.772 -2.573 0.895
121 HD2 HIS 18 HD2 HIS 18 16.355 0.500 3.623
122 HE1 HIS 18 HE1 HIS 18 17.792 -3.219 2.252
123 H LEU 19 H LEU 19 10.886 0.169 2.622
124 HA LEU 19 HA LEU 19 10.328 2.338 0.756
125 HB2 LEU 19 HB2 LEU 19 9.145 -0.428 0.677
126 HB3 LEU 19 HB1 LEU 19 8.460 0.910 -0.179
127 HG LEU 19 HG LEU 19 10.947 0.998 -1.183
128 HD11 LEU 19 HD11 LEU 19 11.738 -0.907 0.119
129 HD12 LEU 19 HD12 LEU 19 11.790 -1.204 -1.621
130 HD13 LEU 19 HD13 LEU 19 10.499 -1.912 -0.650
131 HD21 LEU 19 HD21 LEU 19 10.081 -0.249 -3.079
132 HD22 LEU 19 HD22 LEU 19 8.925 0.924 -2.452
133 HD23 LEU 19 HD23 LEU 19 8.726 -0.794 -2.092
134 H GLY 20 H GLY 20 7.907 2.665 0.708
135 HA2 GLY 20 HA2 GLY 20 6.587 2.176 3.236
136 HA3 GLY 20 HA1 GLY 20 6.897 3.855 2.770
137 H CYS 21 H CYS 21 4.336 2.596 3.064
138 HA CYS 21 HA CYS 21 3.384 2.080 0.375
139 HB2 CYS 21 HB2 CYS 21 2.673 0.517 2.078
140 HB3 CYS 21 HB1 CYS 21 2.138 1.811 3.129
141 H LYS 22 H LYS 22 2.613 3.702 -0.854
142 HA LYS 22 HA LYS 22 1.809 6.204 0.379
143 HB2 LYS 22 HB2 LYS 22 1.961 5.370 -2.492
144 HB3 LYS 22 HB1 LYS 22 1.486 6.972 -1.953
145 HG2 LYS 22 HG2 LYS 22 4.016 5.658 -1.327
146 HG3 LYS 22 HG1 LYS 22 3.852 6.772 -2.715
147 HD2 LYS 22 HD2 LYS 22 3.228 8.552 -1.085
148 HD3 LYS 22 HD1 LYS 22 3.468 7.410 0.236
149 HE2 LYS 22 HE2 LYS 22 5.819 7.179 -0.390
150 HE3 LYS 22 HE1 LYS 22 5.583 8.326 -1.706
151 HZ1 LYS 22 HZ1 LYS 22 5.074 8.981 1.135
152 HZ2 LYS 22 HZ2 LYS 22 5.165 10.062 -0.136
153 HZ3 LYS 22 HZ3 LYS 22 6.558 9.252 0.398
154 H ARG 23 H ARG 23 -0.066 6.479 0.951
155 HA ARG 23 HA ARG 23 -2.147 4.612 0.435
156 HB2 ARG 23 HB2 ARG 23 -2.360 7.287 1.803
157 HB3 ARG 23 HB1 ARG 23 -3.430 5.905 1.989
158 HG2 ARG 23 HG2 ARG 23 -0.569 6.103 2.912
159 HG3 ARG 23 HG1 ARG 23 -2.013 6.101 3.927
160 HD2 ARG 23 HD2 ARG 23 -2.542 3.855 3.162
161 HD3 ARG 23 HD1 ARG 23 -1.116 3.898 2.119
162 HE ARG 23 HE ARG 23 0.265 3.994 4.096
163 HH11 ARG 23 HH11 ARG 23 -3.079 3.034 4.702
164 HH12 ARG 23 HH12 ARG 23 -2.706 2.096 6.063
165 HH21 ARG 23 HH21 ARG 23 0.780 2.671 5.986
166 HH22 ARG 23 HH22 ARG 23 -0.501 1.910 6.809
167 H LYS 24 H LYS 24 -0.982 7.274 -1.151
168 HA LYS 24 HA LYS 24 -3.659 7.994 -2.099
169 HB2 LYS 24 HB2 LYS 24 -2.689 9.962 -3.187
170 HB3 LYS 24 HB1 LYS 24 -2.268 9.912 -1.488
171 HG2 LYS 24 HG2 LYS 24 -0.017 9.101 -2.095
172 HG3 LYS 24 HG1 LYS 24 -0.500 9.182 -3.793
173 HD2 LYS 24 HD2 LYS 24 -0.877 11.571 -3.612
174 HD3 LYS 24 HD1 LYS 24 -0.451 11.518 -1.900
175 HE2 LYS 24 HE2 LYS 24 1.800 10.809 -2.463
176 HE3 LYS 24 HE1 LYS 24 1.380 10.777 -4.174
177 HZ1 LYS 24 HZ1 LYS 24 2.572 12.788 -3.596
178 HZ2 LYS 24 HZ2 LYS 24 1.421 13.197 -2.444
179 HZ3 LYS 24 HZ3 LYS 24 1.008 13.165 -4.080
180 H MET 25 H MET 25 -0.912 6.273 -2.975
181 HA MET 25 HA MET 25 -1.722 6.280 -5.790
182 HB2 MET 25 HB2 MET 25 0.971 5.440 -4.668
183 HB3 MET 25 HB1 MET 25 0.478 5.572 -6.317
184 HG2 MET 25 HG2 MET 25 0.789 7.867 -4.413
185 HG3 MET 25 HG1 MET 25 1.858 7.429 -5.731
186 HE1 MET 25 HE1 MET 25 -0.255 8.231 -8.913
187 HE2 MET 25 HE2 MET 25 -0.112 6.673 -8.107
188 HE3 MET 25 HE3 MET 25 1.309 7.702 -8.292
189 H LYS 26 H LYS 26 -1.526 4.439 -2.951
190 HA LYS 26 HA LYS 26 -2.067 2.360 -2.361
191 HB2 LYS 26 HB2 LYS 26 -3.136 2.055 -5.165
192 HB3 LYS 26 HB1 LYS 26 -3.430 0.951 -3.842
193 HG2 LYS 26 HG2 LYS 26 -4.327 3.822 -3.974
194 HG3 LYS 26 HG1 LYS 26 -5.345 2.386 -4.108
195 HD2 LYS 26 HD2 LYS 26 -3.661 3.096 -1.741
196 HD3 LYS 26 HD1 LYS 26 -5.394 3.444 -1.846
197 HE2 LYS 26 HE2 LYS 26 -5.829 1.005 -2.080
198 HE3 LYS 26 HE1 LYS 26 -4.102 0.694 -1.925
199 HZ1 LYS 26 HZ1 LYS 26 -5.880 1.850 0.149
200 HZ2 LYS 26 HZ2 LYS 26 -4.224 1.709 0.312
201 HZ3 LYS 26 HZ3 LYS 26 -5.179 0.318 0.160
202 H TYR 27 H TYR 27 0.332 2.978 -3.177
203 HA TYR 27 HA TYR 27 1.364 0.333 -3.511
204 HB2 TYR 27 HB2 TYR 27 2.829 0.619 -5.417
205 HB3 TYR 27 HB1 TYR 27 1.181 0.853 -5.923
206 HD1 TYR 27 HD1 TYR 27 4.244 2.779 -4.910
207 HD2 TYR 27 HD2 TYR 27 0.706 2.706 -7.271
208 HE1 TYR 27 HE1 TYR 27 4.964 4.797 -6.006
209 HE2 TYR 27 HE2 TYR 27 1.426 4.783 -8.373
210 HH TYR 27 HH TYR 27 4.604 6.026 -7.943
211 H CYS 28 H CYS 28 3.679 0.269 -3.442
212 HA CYS 28 HA CYS 28 4.489 2.234 -1.470
213 HB2 CYS 28 HB2 CYS 28 5.680 -0.453 -2.103
214 HB3 CYS 28 HB1 CYS 28 6.270 0.655 -0.865
215 H ALA 29 H ALA 29 6.197 3.424 -1.482
216 HA ALA 29 HA ALA 29 7.824 3.612 -3.917
217 HB1 ALA 29 HB1 ALA 29 6.275 5.506 -3.759
218 HB2 ALA 29 HB2 ALA 29 7.928 6.057 -3.475
219 HB3 ALA 29 HB3 ALA 29 6.818 5.842 -2.115
220 H TRP 30 H TRP 30 9.843 5.307 -2.825
221 HA TRP 30 HA TRP 30 11.082 3.347 -1.155
222 HB2 TRP 30 HB2 TRP 30 12.151 5.988 -2.128
223 HB3 TRP 30 HB1 TRP 30 13.058 4.835 -1.179
224 HD1 TRP 30 HD TRP 30 12.234 5.679 -4.604
225 HE1 TRP 30 HE1 TRP 30 13.121 3.823 -6.216
226 HE3 TRP 30 HE3 TRP 30 13.143 2.251 -1.203
227 HZ2 TRP 30 HZ2 TRP 30 14.087 1.144 -5.951
228 HZ3 TRP 30 HZ3 TRP 30 14.049 -0.004 -1.838
229 HH2 TRP 30 HH TRP 30 14.501 -0.528 -4.157
230 H ASP 31 H ASP 31 8.854 5.378 -0.228
231 HA ASP 31 HA ASP 31 9.630 5.479 2.443
232 HB2 ASP 31 HB2 ASP 31 9.610 7.840 2.711
233 HB3 ASP 31 HB1 ASP 31 10.804 7.449 1.464
234 H PHE 32 H PHE 32 7.830 6.496 3.510
235 HA PHE 32 HA PHE 32 5.376 6.160 1.964
236 HB2 PHE 32 HB2 PHE 32 4.174 5.818 4.141
237 HB3 PHE 32 HB1 PHE 32 5.223 4.509 3.642
238 HD1 PHE 32 HD1 PHE 32 7.225 4.005 4.923
239 HD2 PHE 32 HD2 PHE 32 4.629 7.172 6.053
240 HE1 PHE 32 HE1 PHE 32 8.272 4.072 7.130
241 HE2 PHE 32 HE2 PHE 32 5.681 7.249 8.259
242 HZ PHE 32 HZ PHE 32 7.508 5.693 8.808
243 H THR 33 H THR 33 7.005 8.384 4.123
244 HA THR 33 HA THR 33 4.940 10.241 3.308
245 HB THR 33 HB THR 33 4.409 9.573 5.640
246 HG1 THR 33 HG1 THR 33 3.691 11.514 5.519
247 HG21 THR 33 HG21 THR 33 6.669 9.106 6.464
248 HG22 THR 33 HG22 THR 33 5.879 10.308 7.486
249 HG23 THR 33 HG23 THR 33 7.089 10.810 6.303
250 H PHE 34 H PHE 34 5.558 12.356 3.129
251 HA PHE 34 HA PHE 34 8.239 12.707 2.227
252 HB2 PHE 34 HB2 PHE 34 7.479 14.982 1.607
253 HB3 PHE 34 HB1 PHE 34 6.399 13.738 1.002
254 HD1 PHE 34 HD1 PHE 34 4.159 13.456 1.994
255 HD2 PHE 34 HD2 PHE 34 6.751 16.601 3.223
256 HE1 PHE 34 HE1 PHE 34 2.254 14.613 3.032
257 HE2 PHE 34 HE2 PHE 34 4.850 17.763 4.265
258 HZ PHE 34 HZ PHE 34 2.599 16.770 4.173
259 H THR 35 H THR 35 9.689 14.311 2.959
260 HA THR 35 HA THR 35 9.662 14.737 5.835
261 HB THR 35 HB THR 35 11.740 15.600 3.802
262 HG1 THR 35 HG1 THR 35 11.096 13.121 4.840
263 HG21 THR 35 HG21 THR 35 11.911 15.034 6.772
264 HG22 THR 35 HG22 THR 35 11.927 16.633 6.029
265 HG23 THR 35 HG23 THR 35 13.257 15.512 5.737
Start of MODEL 5
1 H1 ASP 1 HT1 ASP 1 8.079 -13.229 1.763
2 H2 ASP 1 HT2 ASP 1 6.500 -12.597 1.755
3 H3 ASP 1 HT3 ASP 1 7.715 -11.811 2.602
4 HA ASP 1 HA ASP 1 8.881 -11.289 0.613
5 HB2 ASP 1 HB2 ASP 1 8.262 -13.145 -0.773
6 HB3 ASP 1 HB1 ASP 1 6.555 -12.683 -0.709
7 H CYS 2 H CYS 2 8.719 -9.257 0.495
8 HA CYS 2 HA CYS 2 6.153 -7.973 1.043
9 HB2 CYS 2 HB2 CYS 2 7.647 -6.024 1.412
10 HB3 CYS 2 HB1 CYS 2 7.747 -7.303 2.610
11 H ARG 3 H ARG 3 5.786 -6.015 0.038
12 HA ARG 3 HA ARG 3 6.086 -6.169 -2.815
13 HB2 ARG 3 HB2 ARG 3 4.844 -4.049 -1.069
14 HB3 ARG 3 HB1 ARG 3 4.760 -4.098 -2.814
15 HG2 ARG 3 HG2 ARG 3 3.632 -6.189 -0.984
16 HG3 ARG 3 HG1 ARG 3 2.722 -4.850 -1.674
17 HD2 ARG 3 HD2 ARG 3 3.301 -5.674 -3.928
18 HD3 ARG 3 HD1 ARG 3 4.078 -7.076 -3.190
19 HE ARG 3 HE ARG 3 1.397 -6.620 -2.329
20 HH11 ARG 3 HH11 ARG 3 3.320 -8.194 -4.868
21 HH12 ARG 3 HH12 ARG 3 2.172 -9.400 -5.185
22 HH21 ARG 3 HH21 ARG 3 -0.225 -8.213 -2.843
23 HH22 ARG 3 HH22 ARG 3 0.067 -9.376 -4.040
24 H TYR 4 H TYR 4 7.576 -5.124 -3.981
25 HA TYR 4 HA TYR 4 9.304 -3.262 -2.691
26 HB2 TYR 4 HB2 TYR 4 9.235 -4.671 -5.342
27 HB3 TYR 4 HB1 TYR 4 10.388 -3.410 -4.967
28 HD1 TYR 4 HD1 TYR 4 9.890 -6.857 -5.041
29 HD2 TYR 4 HD2 TYR 4 11.754 -3.855 -2.647
30 HE1 TYR 4 HE1 TYR 4 11.424 -8.536 -4.099
31 HE2 TYR 4 HE2 TYR 4 13.272 -5.519 -1.736
32 HH TYR 4 HH TYR 4 13.374 -7.924 -1.397
33 H MET 5 H MET 5 9.709 -1.782 -5.261
34 HA MET 5 HA MET 5 7.681 0.157 -4.668
35 HB2 MET 5 HB2 MET 5 10.177 0.573 -5.378
36 HB3 MET 5 HB1 MET 5 9.565 0.354 -7.003
37 HG2 MET 5 HG2 MET 5 7.947 2.157 -6.627
38 HG3 MET 5 HG1 MET 5 8.596 2.356 -5.002
39 HE1 MET 5 HE1 MET 5 8.367 4.904 -6.391
40 HE2 MET 5 HE2 MET 5 10.000 5.590 -6.373
41 HE3 MET 5 HE3 MET 5 9.397 4.737 -4.958
42 H PHE 6 H PHE 6 6.010 0.735 -5.739
43 HA PHE 6 HA PHE 6 4.291 0.780 -7.158
44 HB2 PHE 6 HB2 PHE 6 5.964 -0.882 -9.068
45 HB3 PHE 6 HB1 PHE 6 4.411 -0.159 -9.463
46 HD1 PHE 6 HD1 PHE 6 4.207 2.292 -9.624
47 HD2 PHE 6 HD2 PHE 6 7.955 0.390 -9.041
48 HE1 PHE 6 HE1 PHE 6 5.361 4.357 -10.308
49 HE2 PHE 6 HE2 PHE 6 9.121 2.422 -9.696
50 HZ PHE 6 HZ PHE 6 7.826 4.432 -10.349
51 H GLY 7 H GLY 7 5.337 -1.733 -5.508
52 HA2 GLY 7 HA2 GLY 7 3.392 -3.677 -6.287
53 HA3 GLY 7 HA1 GLY 7 4.372 -3.699 -4.820
54 H ASP 8 H ASP 8 1.461 -4.078 -5.273
55 HA ASP 8 HA ASP 8 0.017 -1.806 -4.330
56 HB2 ASP 8 HB2 ASP 8 -0.976 -3.383 -5.646
57 HB3 ASP 8 HB1 ASP 8 -0.711 -4.730 -4.527
58 H CYS 9 H CYS 9 -0.844 -1.412 -2.316
59 HA CYS 9 HA CYS 9 -0.060 -3.180 -0.175
60 HB2 CYS 9 HB2 CYS 9 1.299 -1.535 0.966
61 HB3 CYS 9 HB1 CYS 9 1.838 -1.843 -0.701
62 H GLU 10 H GLU 10 -1.081 -2.723 1.798
63 HA GLU 10 HA GLU 10 -3.171 -0.659 1.730
64 HB2 GLU 10 HB2 GLU 10 -2.941 -3.229 3.284
65 HB3 GLU 10 HB1 GLU 10 -4.122 -1.992 3.644
66 HG2 GLU 10 HG2 GLU 10 -3.935 -3.420 1.011
67 HG3 GLU 10 HG1 GLU 10 -5.010 -3.890 2.326
68 H LYS 11 H LYS 11 -0.491 -2.159 3.478
69 HA LYS 11 HA LYS 11 -0.318 0.188 5.169
70 HB2 LYS 11 HB2 LYS 11 0.298 -1.361 7.031
71 HB3 LYS 11 HB1 LYS 11 -1.389 -1.413 6.564
72 HG2 LYS 11 HG2 LYS 11 -0.809 -3.465 5.193
73 HG3 LYS 11 HG1 LYS 11 0.778 -3.425 5.952
74 HD2 LYS 11 HD2 LYS 11 -0.340 -3.583 8.167
75 HD3 LYS 11 HD1 LYS 11 -1.889 -3.739 7.338
76 HE2 LYS 11 HE2 LYS 11 0.454 -5.652 7.185
77 HE3 LYS 11 HE1 LYS 11 -1.070 -5.921 8.015
78 HZ1 LYS 11 HZ1 LYS 11 -2.172 -5.815 5.792
79 HZ2 LYS 11 HZ2 LYS 11 -1.116 -7.077 5.998
80 HZ3 LYS 11 HZ3 LYS 11 -0.631 -5.777 5.064
81 H ASP 12 H ASP 12 1.835 0.157 6.232
82 HA ASP 12 HA ASP 12 3.851 0.002 4.198
83 HB2 ASP 12 HB2 ASP 12 4.067 0.592 7.137
84 HB3 ASP 12 HB1 ASP 12 5.488 0.489 6.103
85 H GLU 13 H GLU 13 2.677 -2.182 6.392
86 HA GLU 13 HA GLU 13 5.017 -3.763 6.833
87 HB2 GLU 13 HB2 GLU 13 2.135 -4.483 6.997
88 HB3 GLU 13 HB1 GLU 13 3.439 -5.459 7.634
89 HG2 GLU 13 HG2 GLU 13 4.081 -3.613 9.160
90 HG3 GLU 13 HG1 GLU 13 2.714 -2.676 8.568
91 H ASP 14 H ASP 14 2.703 -3.460 4.349
92 HA ASP 14 HA ASP 14 3.110 -6.084 3.280
93 HB2 ASP 14 HB2 ASP 14 1.884 -3.701 1.848
94 HB3 ASP 14 HB1 ASP 14 1.812 -5.423 1.468
95 H CYS 15 H CYS 15 4.511 -2.964 3.010
96 HA CYS 15 HA CYS 15 5.998 -3.641 0.610
97 HB2 CYS 15 HB2 CYS 15 6.349 -1.164 2.310
98 HB3 CYS 15 HB1 CYS 15 6.780 -1.425 0.644
99 H CYS 16 H CYS 16 8.286 -3.629 0.658
100 HA CYS 16 HA CYS 16 9.474 -4.825 2.851
101 HB2 CYS 16 HB2 CYS 16 10.817 -3.290 0.657
102 HB3 CYS 16 HB1 CYS 16 11.535 -4.505 1.631
103 H LYS 17 H LYS 17 11.563 -3.793 3.683
104 HA LYS 17 HA LYS 17 10.621 -1.934 5.640
105 HB2 LYS 17 HB2 LYS 17 13.451 -2.813 5.164
106 HB3 LYS 17 HB1 LYS 17 12.787 -2.106 6.620
107 HG2 LYS 17 HG2 LYS 17 12.055 -4.763 5.460
108 HG3 LYS 17 HG1 LYS 17 13.107 -4.440 6.844
109 HD2 LYS 17 HD2 LYS 17 11.187 -3.380 8.003
110 HD3 LYS 17 HD1 LYS 17 10.170 -3.743 6.614
111 HE2 LYS 17 HE2 LYS 17 10.624 -6.161 6.985
112 HE3 LYS 17 HE1 LYS 17 11.493 -5.720 8.452
113 HZ1 LYS 17 HZ1 LYS 17 8.642 -5.168 7.890
114 HZ2 LYS 17 HZ2 LYS 17 9.459 -4.678 9.271
115 HZ3 LYS 17 HZ3 LYS 17 9.227 -6.319 8.972
116 H HIS 18 H HIS 18 13.041 -1.800 3.245
117 HA HIS 18 HA HIS 18 13.783 0.917 3.584
118 HB2 HIS 18 HB2 HIS 18 14.083 -0.827 1.139
119 HB3 HIS 18 HB1 HIS 18 14.794 0.772 1.296
120 HD1 HIS 18 HD1 HIS 18 15.586 -2.723 1.849
121 HD2 HIS 18 HD2 HIS 18 16.619 0.893 3.618
122 HE1 HIS 18 HE1 HIS 18 17.680 -3.160 3.174
123 H LEU 19 H LEU 19 10.827 -0.105 2.541
124 HA LEU 19 HA LEU 19 10.412 2.325 0.922
125 HB2 LEU 19 HB2 LEU 19 9.223 -0.416 0.599
126 HB3 LEU 19 HB1 LEU 19 8.553 0.991 -0.176
127 HG LEU 19 HG LEU 19 11.068 1.143 -1.099
128 HD11 LEU 19 HD11 LEU 19 10.629 -1.795 -0.731
129 HD12 LEU 19 HD12 LEU 19 11.870 -0.819 0.069
130 HD13 LEU 19 HD13 LEU 19 11.901 -1.041 -1.688
131 HD21 LEU 19 HD21 LEU 19 10.279 0.028 -3.109
132 HD22 LEU 19 HD22 LEU 19 9.085 1.142 -2.442
133 HD23 LEU 19 HD23 LEU 19 8.898 -0.599 -2.211
134 H GLY 20 H GLY 20 7.924 2.598 0.711
135 HA2 GLY 20 HA2 GLY 20 6.583 2.170 3.227
136 HA3 GLY 20 HA1 GLY 20 6.868 3.843 2.730
137 H CYS 21 H CYS 21 4.390 2.558 3.051
138 HA CYS 21 HA CYS 21 3.406 1.974 0.369
139 HB2 CYS 21 HB2 CYS 21 2.619 0.616 2.249
140 HB3 CYS 21 HB1 CYS 21 1.991 2.050 3.044
141 H LYS 22 H LYS 22 2.481 3.464 -0.960
142 HA LYS 22 HA LYS 22 1.878 6.047 0.182
143 HB2 LYS 22 HB2 LYS 22 2.086 5.150 -2.672
144 HB3 LYS 22 HB1 LYS 22 1.470 6.729 -2.203
145 HG2 LYS 22 HG2 LYS 22 4.050 5.604 -1.434
146 HG3 LYS 22 HG1 LYS 22 3.876 6.711 -2.825
147 HD2 LYS 22 HD2 LYS 22 2.969 8.382 -1.184
148 HD3 LYS 22 HD1 LYS 22 3.334 7.274 0.118
149 HE2 LYS 22 HE2 LYS 22 5.714 7.323 -0.486
150 HE3 LYS 22 HE1 LYS 22 5.354 8.425 -1.813
151 HZ1 LYS 22 HZ1 LYS 22 4.789 10.115 -0.311
152 HZ2 LYS 22 HZ2 LYS 22 6.210 9.452 0.338
153 HZ3 LYS 22 HZ3 LYS 22 4.715 9.073 0.993
154 H ARG 23 H ARG 23 0.138 6.471 0.834
155 HA ARG 23 HA ARG 23 -2.126 4.789 0.595
156 HB2 ARG 23 HB2 ARG 23 -1.508 7.349 1.993
157 HB3 ARG 23 HB1 ARG 23 -3.158 6.773 1.899
158 HG2 ARG 23 HG2 ARG 23 -1.978 6.251 3.978
159 HG3 ARG 23 HG1 ARG 23 -2.612 4.806 3.152
160 HD2 ARG 23 HD2 ARG 23 -0.267 4.448 2.351
161 HD3 ARG 23 HD1 ARG 23 0.225 5.814 3.355
162 HE ARG 23 HE ARG 23 -1.262 3.828 4.780
163 HH11 ARG 23 HH11 ARG 23 2.021 4.577 3.647
164 HH12 ARG 23 HH12 ARG 23 2.736 3.747 4.982
165 HH21 ARG 23 HH21 ARG 23 -0.189 2.702 6.499
166 HH22 ARG 23 HH22 ARG 23 1.533 2.703 6.542
167 H LYS 24 H LYS 24 -0.955 7.187 -1.314
168 HA LYS 24 HA LYS 24 -3.632 8.151 -2.032
169 HB2 LYS 24 HB2 LYS 24 -0.933 9.041 -3.037
170 HB3 LYS 24 HB1 LYS 24 -2.469 9.750 -3.506
171 HG2 LYS 24 HG2 LYS 24 -1.409 9.701 -0.688
172 HG3 LYS 24 HG1 LYS 24 -1.222 11.052 -1.796
173 HD2 LYS 24 HD2 LYS 24 -3.922 9.951 -1.020
174 HD3 LYS 24 HD1 LYS 24 -3.095 11.171 -0.071
175 HE2 LYS 24 HE2 LYS 24 -4.675 12.267 -1.513
176 HE3 LYS 24 HE1 LYS 24 -3.058 12.654 -2.068
177 HZ1 LYS 24 HZ1 LYS 24 -4.804 10.583 -3.309
178 HZ2 LYS 24 HZ2 LYS 24 -3.336 11.196 -3.936
179 HZ3 LYS 24 HZ3 LYS 24 -4.680 12.167 -3.823
180 H MET 25 H MET 25 -1.105 6.131 -3.097
181 HA MET 25 HA MET 25 -2.485 5.773 -5.641
182 HB2 MET 25 HB2 MET 25 0.399 5.729 -4.968
183 HB3 MET 25 HB1 MET 25 -0.217 4.893 -6.373
184 HG2 MET 25 HG2 MET 25 -0.488 7.824 -5.772
185 HG3 MET 25 HG1 MET 25 0.564 7.079 -6.982
186 HE1 MET 25 HE1 MET 25 -1.284 9.408 -7.796
187 HE2 MET 25 HE2 MET 25 -1.993 8.782 -9.295
188 HE3 MET 25 HE3 MET 25 -0.294 8.474 -8.920
189 H LYS 26 H LYS 26 -1.643 4.260 -2.785
190 HA LYS 26 HA LYS 26 -1.865 2.226 -1.955
191 HB2 LYS 26 HB2 LYS 26 -3.390 1.592 -4.490
192 HB3 LYS 26 HB1 LYS 26 -3.384 0.610 -3.030
193 HG2 LYS 26 HG2 LYS 26 -4.481 3.394 -3.342
194 HG3 LYS 26 HG1 LYS 26 -5.400 1.910 -3.086
195 HD2 LYS 26 HD2 LYS 26 -3.371 3.021 -1.175
196 HD3 LYS 26 HD1 LYS 26 -5.101 3.326 -1.020
197 HE2 LYS 26 HE2 LYS 26 -3.711 0.633 -0.886
198 HE3 LYS 26 HE1 LYS 26 -4.433 1.502 0.461
199 HZ1 LYS 26 HZ1 LYS 26 -5.934 0.483 -1.880
200 HZ2 LYS 26 HZ2 LYS 26 -6.589 1.205 -0.485
201 HZ3 LYS 26 HZ3 LYS 26 -5.797 -0.285 -0.385
202 H TYR 27 H TYR 27 0.347 2.912 -3.157
203 HA TYR 27 HA TYR 27 1.365 0.254 -3.609
204 HB2 TYR 27 HB2 TYR 27 2.681 0.554 -5.578
205 HB3 TYR 27 HB1 TYR 27 1.034 0.914 -5.976
206 HD1 TYR 27 HD1 TYR 27 4.345 2.477 -5.207
207 HD2 TYR 27 HD2 TYR 27 0.574 3.010 -7.164
208 HE1 TYR 27 HE1 TYR 27 5.204 4.454 -6.345
209 HE2 TYR 27 HE2 TYR 27 1.447 4.984 -8.267
210 HH TYR 27 HH TYR 27 3.165 6.607 -7.948
211 H CYS 28 H CYS 28 3.636 0.052 -3.626
212 HA CYS 28 HA CYS 28 4.591 1.608 -1.393
213 HB2 CYS 28 HB2 CYS 28 5.950 -0.686 -2.804
214 HB3 CYS 28 HB1 CYS 28 6.351 -0.026 -1.224
215 H ALA 29 H ALA 29 5.977 3.151 -1.464
216 HA ALA 29 HA ALA 29 7.638 3.571 -3.841
217 HB1 ALA 29 HB1 ALA 29 7.505 5.992 -3.330
218 HB2 ALA 29 HB2 ALA 29 6.402 5.636 -1.999
219 HB3 ALA 29 HB3 ALA 29 5.913 5.303 -3.663
220 H TRP 30 H TRP 30 9.469 5.375 -2.684
221 HA TRP 30 HA TRP 30 10.774 3.496 -0.938
222 HB2 TRP 30 HB2 TRP 30 11.745 6.117 -2.071
223 HB3 TRP 30 HB1 TRP 30 12.689 5.112 -0.991
224 HD1 TRP 30 HD TRP 30 11.807 5.508 -4.555
225 HE1 TRP 30 HE1 TRP 30 12.886 3.546 -5.929
226 HE3 TRP 30 HE3 TRP 30 13.150 2.657 -0.767
227 HZ2 TRP 30 HZ2 TRP 30 14.156 1.089 -5.373
228 HZ3 TRP 30 HZ3 TRP 30 14.322 0.450 -1.156
229 HH2 TRP 30 HH TRP 30 14.796 -0.290 -3.437
230 H ASP 31 H ASP 31 8.436 5.474 -0.138
231 HA ASP 31 HA ASP 31 9.141 5.632 2.544
232 HB2 ASP 31 HB2 ASP 31 9.334 7.983 2.794
233 HB3 ASP 31 HB1 ASP 31 10.346 7.514 1.430
234 H PHE 32 H PHE 32 7.326 6.765 3.534
235 HA PHE 32 HA PHE 32 4.860 6.283 1.982
236 HB2 PHE 32 HB2 PHE 32 3.649 5.726 4.014
237 HB3 PHE 32 HB1 PHE 32 5.084 4.728 3.899
238 HD1 PHE 32 HD1 PHE 32 3.315 7.258 5.798
239 HD2 PHE 32 HD2 PHE 32 6.975 5.123 5.447
240 HE1 PHE 32 HE1 PHE 32 3.915 7.928 8.086
241 HE2 PHE 32 HE2 PHE 32 7.585 5.792 7.735
242 HZ PHE 32 HZ PHE 32 6.054 7.195 9.057
243 H THR 33 H THR 33 6.512 8.523 4.051
244 HA THR 33 HA THR 33 4.618 10.235 4.949
245 HB THR 33 HB THR 33 6.499 11.966 4.677
246 HG1 THR 33 HG1 THR 33 7.429 10.274 2.999
247 HG21 THR 33 HG21 THR 33 7.770 10.881 6.519
248 HG22 THR 33 HG22 THR 33 6.894 9.379 6.207
249 HG23 THR 33 HG23 THR 33 6.029 10.803 6.768
250 H PHE 34 H PHE 34 3.090 11.384 3.982
251 HA PHE 34 HA PHE 34 3.682 12.433 1.325
252 HB2 PHE 34 HB2 PHE 34 1.254 12.443 0.879
253 HB3 PHE 34 HB1 PHE 34 1.883 10.830 1.183
254 HD1 PHE 34 HD1 PHE 34 1.276 9.672 3.290
255 HD2 PHE 34 HD2 PHE 34 -0.404 13.438 2.243
256 HE1 PHE 34 HE1 PHE 34 -0.529 9.318 4.912
257 HE2 PHE 34 HE2 PHE 34 -2.204 13.092 3.875
258 HZ PHE 34 HZ PHE 34 -2.267 11.029 5.213
259 H THR 35 H THR 35 3.797 14.513 1.085
260 HA THR 35 HA THR 35 2.171 16.352 2.439
261 HB THR 35 HB THR 35 3.640 15.981 4.332
262 HG1 THR 35 HG1 THR 35 4.904 18.261 3.701
263 HG21 THR 35 HG21 THR 35 5.551 15.007 3.162
264 HG22 THR 35 HG22 THR 35 6.058 16.328 4.215
265 HG23 THR 35 HG23 THR 35 5.936 16.585 2.472
Start of MODEL 6
1 H1 ASP 1 HT1 ASP 1 6.787 -13.705 1.090
2 H2 ASP 1 HT2 ASP 1 5.684 -12.812 0.176
3 H3 ASP 1 HT3 ASP 1 5.830 -12.505 1.821
4 HA ASP 1 HA ASP 1 8.071 -11.728 1.485
5 HB2 ASP 1 HB2 ASP 1 8.802 -11.284 -0.864
6 HB3 ASP 1 HB1 ASP 1 8.652 -13.002 -0.514
7 H CYS 2 H CYS 2 8.446 -9.458 0.826
8 HA CYS 2 HA CYS 2 5.982 -7.966 1.132
9 HB2 CYS 2 HB2 CYS 2 7.547 -6.101 1.406
10 HB3 CYS 2 HB1 CYS 2 7.734 -7.370 2.601
11 H ARG 3 H ARG 3 5.833 -5.949 0.054
12 HA ARG 3 HA ARG 3 6.247 -6.298 -2.798
13 HB2 ARG 3 HB2 ARG 3 4.331 -4.753 -1.154
14 HB3 ARG 3 HB1 ARG 3 4.827 -4.014 -2.664
15 HG2 ARG 3 HG2 ARG 3 2.762 -5.265 -2.926
16 HG3 ARG 3 HG1 ARG 3 4.052 -5.963 -3.894
17 HD2 ARG 3 HD2 ARG 3 2.800 -7.721 -2.886
18 HD3 ARG 3 HD1 ARG 3 4.384 -7.657 -2.127
19 HE ARG 3 HE ARG 3 3.164 -6.336 -0.337
20 HH11 ARG 3 HH11 ARG 3 1.567 -8.865 -2.284
21 HH12 ARG 3 HH12 ARG 3 0.588 -9.421 -1.019
22 HH21 ARG 3 HH21 ARG 3 1.739 -7.150 1.445
23 HH22 ARG 3 HH22 ARG 3 0.686 -8.432 1.105
24 H TYR 4 H TYR 4 7.628 -5.152 -3.930
25 HA TYR 4 HA TYR 4 9.229 -3.206 -2.597
26 HB2 TYR 4 HB2 TYR 4 9.346 -4.669 -5.216
27 HB3 TYR 4 HB1 TYR 4 10.451 -3.389 -4.789
28 HD1 TYR 4 HD1 TYR 4 9.834 -6.861 -4.686
29 HD2 TYR 4 HD2 TYR 4 11.822 -3.753 -2.555
30 HE1 TYR 4 HE1 TYR 4 11.276 -8.517 -3.606
31 HE2 TYR 4 HE2 TYR 4 13.267 -5.408 -1.481
32 HH TYR 4 HH TYR 4 13.542 -8.539 -2.590
33 H MET 5 H MET 5 9.799 -1.728 -4.990
34 HA MET 5 HA MET 5 7.770 0.221 -4.740
35 HB2 MET 5 HB2 MET 5 10.251 0.488 -5.462
36 HB3 MET 5 HB1 MET 5 9.664 0.086 -7.062
37 HG2 MET 5 HG2 MET 5 8.102 1.971 -6.925
38 HG3 MET 5 HG1 MET 5 8.772 2.374 -5.345
39 HE1 MET 5 HE1 MET 5 9.714 4.646 -5.638
40 HE2 MET 5 HE2 MET 5 8.690 4.679 -7.082
41 HE3 MET 5 HE3 MET 5 10.362 5.268 -7.153
42 H PHE 6 H PHE 6 6.084 0.733 -5.883
43 HA PHE 6 HA PHE 6 4.385 0.706 -7.354
44 HB2 PHE 6 HB2 PHE 6 6.073 -1.126 -9.087
45 HB3 PHE 6 HB1 PHE 6 4.532 -0.430 -9.569
46 HD1 PHE 6 HD1 PHE 6 8.068 0.137 -9.098
47 HD2 PHE 6 HD2 PHE 6 4.350 1.987 -9.972
48 HE1 PHE 6 HE1 PHE 6 9.264 2.088 -9.900
49 HE2 PHE 6 HE2 PHE 6 5.538 3.977 -10.811
50 HZ PHE 6 HZ PHE 6 8.004 4.040 -10.779
51 H GLY 7 H GLY 7 5.439 -1.875 -5.638
52 HA2 GLY 7 HA2 GLY 7 3.453 -3.792 -6.345
53 HA3 GLY 7 HA1 GLY 7 4.433 -3.773 -4.878
54 H ASP 8 H ASP 8 1.532 -4.218 -5.239
55 HA ASP 8 HA ASP 8 0.179 -1.858 -4.363
56 HB2 ASP 8 HB2 ASP 8 -0.871 -3.481 -5.656
57 HB3 ASP 8 HB1 ASP 8 -0.738 -4.735 -4.418
58 H CYS 9 H CYS 9 -0.653 -1.402 -2.410
59 HA CYS 9 HA CYS 9 -0.025 -3.131 -0.204
60 HB2 CYS 9 HB2 CYS 9 1.364 -1.486 0.918
61 HB3 CYS 9 HB1 CYS 9 1.948 -1.899 -0.713
62 H GLU 10 H GLU 10 -1.190 -2.553 1.659
63 HA GLU 10 HA GLU 10 -3.115 -0.380 1.323
64 HB2 GLU 10 HB2 GLU 10 -3.294 -3.032 2.708
65 HB3 GLU 10 HB1 GLU 10 -4.339 -1.700 3.187
66 HG2 GLU 10 HG2 GLU 10 -4.160 -2.818 0.403
67 HG3 GLU 10 HG1 GLU 10 -5.391 -3.258 1.590
68 H LYS 11 H LYS 11 -0.734 -1.944 3.319
69 HA LYS 11 HA LYS 11 -0.563 0.472 4.897
70 HB2 LYS 11 HB2 LYS 11 0.111 -1.031 6.801
71 HB3 LYS 11 HB1 LYS 11 -1.592 -1.070 6.393
72 HG2 LYS 11 HG2 LYS 11 -1.075 -3.153 5.050
73 HG3 LYS 11 HG1 LYS 11 0.528 -3.116 5.775
74 HD2 LYS 11 HD2 LYS 11 -0.483 -3.278 8.000
75 HD3 LYS 11 HD1 LYS 11 -2.089 -3.298 7.268
76 HE2 LYS 11 HE2 LYS 11 0.084 -5.365 6.901
77 HE3 LYS 11 HE1 LYS 11 -1.393 -5.556 7.836
78 HZ1 LYS 11 HZ1 LYS 11 -1.634 -6.624 5.753
79 HZ2 LYS 11 HZ2 LYS 11 -1.192 -5.285 4.865
80 HZ3 LYS 11 HZ3 LYS 11 -2.656 -5.301 5.736
81 H ASP 12 H ASP 12 1.598 0.516 5.911
82 HA ASP 12 HA ASP 12 3.564 0.343 3.806
83 HB2 ASP 12 HB2 ASP 12 4.147 0.859 6.720
84 HB3 ASP 12 HB1 ASP 12 5.171 1.255 5.351
85 H GLU 13 H GLU 13 2.494 -1.744 6.097
86 HA GLU 13 HA GLU 13 4.852 -3.233 6.681
87 HB2 GLU 13 HB2 GLU 13 2.028 -4.131 6.796
88 HB3 GLU 13 HB1 GLU 13 3.372 -4.789 7.709
89 HG2 GLU 13 HG2 GLU 13 2.083 -2.078 8.074
90 HG3 GLU 13 HG1 GLU 13 2.100 -3.416 9.218
91 H ASP 14 H ASP 14 2.510 -3.148 4.151
92 HA ASP 14 HA ASP 14 2.944 -5.836 3.259
93 HB2 ASP 14 HB2 ASP 14 1.696 -3.580 1.646
94 HB3 ASP 14 HB1 ASP 14 1.604 -5.320 1.401
95 H CYS 15 H CYS 15 4.529 -2.894 3.018
96 HA CYS 15 HA CYS 15 5.999 -3.618 0.608
97 HB2 CYS 15 HB2 CYS 15 6.280 -1.121 2.272
98 HB3 CYS 15 HB1 CYS 15 6.851 -1.413 0.649
99 H CYS 16 H CYS 16 8.233 -3.663 0.709
100 HA CYS 16 HA CYS 16 9.425 -4.896 2.891
101 HB2 CYS 16 HB2 CYS 16 10.797 -3.400 0.686
102 HB3 CYS 16 HB1 CYS 16 11.438 -4.704 1.630
103 H LYS 17 H LYS 17 11.624 -3.952 3.619
104 HA LYS 17 HA LYS 17 11.007 -2.142 5.711
105 HB2 LYS 17 HB2 LYS 17 13.675 -3.063 4.697
106 HB3 LYS 17 HB1 LYS 17 13.382 -2.281 6.248
107 HG2 LYS 17 HG2 LYS 17 11.964 -3.957 6.887
108 HG3 LYS 17 HG1 LYS 17 12.091 -4.823 5.369
109 HD2 LYS 17 HD2 LYS 17 14.542 -5.081 5.776
110 HD3 LYS 17 HD1 LYS 17 14.314 -4.366 7.378
111 HE2 LYS 17 HE2 LYS 17 14.382 -6.814 7.452
112 HE3 LYS 17 HE1 LYS 17 12.834 -6.178 7.997
113 HZ1 LYS 17 HZ1 LYS 17 11.909 -6.682 5.802
114 HZ2 LYS 17 HZ2 LYS 17 12.504 -8.049 6.535
115 HZ3 LYS 17 HZ3 LYS 17 13.394 -7.300 5.296
116 H HIS 18 H HIS 18 13.079 -1.832 3.054
117 HA HIS 18 HA HIS 18 13.791 0.911 3.515
118 HB2 HIS 18 HB2 HIS 18 14.201 -0.722 1.002
119 HB3 HIS 18 HB1 HIS 18 14.786 0.908 1.236
120 HD1 HIS 18 HD1 HIS 18 15.904 -2.475 1.540
121 HD2 HIS 18 HD2 HIS 18 16.567 1.056 3.618
122 HE1 HIS 18 HE1 HIS 18 18.080 -2.790 2.768
123 H LEU 19 H LEU 19 10.867 -0.102 2.622
124 HA LEU 19 HA LEU 19 10.476 2.238 0.930
125 HB2 LEU 19 HB2 LEU 19 9.207 -0.461 0.623
126 HB3 LEU 19 HB1 LEU 19 8.577 0.971 -0.153
127 HG LEU 19 HG LEU 19 11.103 1.083 -1.030
128 HD11 LEU 19 HD11 LEU 19 10.614 -1.853 -0.718
129 HD12 LEU 19 HD12 LEU 19 11.869 -0.902 0.089
130 HD13 LEU 19 HD13 LEU 19 11.897 -1.108 -1.667
131 HD21 LEU 19 HD21 LEU 19 9.148 1.169 -2.403
132 HD22 LEU 19 HD22 LEU 19 8.905 -0.570 -2.221
133 HD23 LEU 19 HD23 LEU 19 10.318 0.040 -3.085
134 H GLY 20 H GLY 20 8.112 2.773 0.761
135 HA2 GLY 20 HA2 GLY 20 6.695 2.442 3.294
136 HA3 GLY 20 HA1 GLY 20 7.002 4.065 2.654
137 H CYS 21 H CYS 21 4.369 2.978 2.976
138 HA CYS 21 HA CYS 21 3.652 2.234 0.246
139 HB2 CYS 21 HB2 CYS 21 2.888 0.678 1.888
140 HB3 CYS 21 HB1 CYS 21 2.223 1.963 2.889
141 H LYS 22 H LYS 22 2.872 3.797 -1.020
142 HA LYS 22 HA LYS 22 1.847 6.224 0.125
143 HB2 LYS 22 HB2 LYS 22 1.783 5.148 -2.686
144 HB3 LYS 22 HB1 LYS 22 1.024 6.663 -2.223
145 HG2 LYS 22 HG2 LYS 22 3.849 6.001 -1.822
146 HG3 LYS 22 HG1 LYS 22 3.252 6.865 -3.274
147 HD2 LYS 22 HD2 LYS 22 2.368 8.604 -1.672
148 HD3 LYS 22 HD1 LYS 22 3.196 7.750 -0.374
149 HE2 LYS 22 HE2 LYS 22 5.348 8.105 -1.454
150 HE3 LYS 22 HE1 LYS 22 4.560 8.872 -2.827
151 HZ1 LYS 22 HZ1 LYS 22 3.869 10.686 -1.373
152 HZ2 LYS 22 HZ2 LYS 22 5.535 10.468 -1.315
153 HZ3 LYS 22 HZ3 LYS 22 4.590 9.931 -0.043
154 H ARG 23 H ARG 23 0.093 6.205 1.091
155 HA ARG 23 HA ARG 23 -1.759 4.078 0.757
156 HB2 ARG 23 HB2 ARG 23 -2.065 6.535 2.484
157 HB3 ARG 23 HB1 ARG 23 -3.007 5.057 2.598
158 HG2 ARG 23 HG2 ARG 23 -1.545 4.654 4.313
159 HG3 ARG 23 HG1 ARG 23 -0.577 4.035 2.972
160 HD2 ARG 23 HD2 ARG 23 0.633 6.123 2.811
161 HD3 ARG 23 HD1 ARG 23 -0.368 6.831 4.080
162 HE ARG 23 HE ARG 23 1.433 4.537 4.515
163 HH11 ARG 23 HH11 ARG 23 0.267 7.750 5.500
164 HH12 ARG 23 HH12 ARG 23 1.070 7.716 6.995
165 HH21 ARG 23 HH21 ARG 23 2.511 4.513 6.561
166 HH22 ARG 23 HH22 ARG 23 2.367 5.837 7.633
167 H LYS 24 H LYS 24 -1.191 6.919 -0.725
168 HA LYS 24 HA LYS 24 -3.993 7.489 -1.330
169 HB2 LYS 24 HB2 LYS 24 -2.535 9.412 -0.922
170 HB3 LYS 24 HB1 LYS 24 -1.425 8.871 -2.167
171 HG2 LYS 24 HG2 LYS 24 -2.778 10.748 -2.937
172 HG3 LYS 24 HG1 LYS 24 -3.115 9.295 -3.877
173 HD2 LYS 24 HD2 LYS 24 -5.131 8.911 -2.520
174 HD3 LYS 24 HD1 LYS 24 -4.798 10.396 -1.622
175 HE2 LYS 24 HE2 LYS 24 -4.997 11.686 -3.690
176 HE3 LYS 24 HE1 LYS 24 -5.301 10.211 -4.595
177 HZ1 LYS 24 HZ1 LYS 24 -7.316 9.877 -3.288
178 HZ2 LYS 24 HZ2 LYS 24 -7.359 11.363 -4.081
179 HZ3 LYS 24 HZ3 LYS 24 -7.031 11.304 -2.439
180 H MET 25 H MET 25 -1.240 5.906 -2.526
181 HA MET 25 HA MET 25 -2.439 5.750 -5.179
182 HB2 MET 25 HB2 MET 25 0.423 5.799 -4.360
183 HB3 MET 25 HB1 MET 25 -0.103 5.326 -5.959
184 HG2 MET 25 HG2 MET 25 -0.523 7.990 -4.628
185 HG3 MET 25 HG1 MET 25 0.558 7.634 -5.976
186 HE1 MET 25 HE1 MET 25 -1.988 6.818 -8.857
187 HE2 MET 25 HE2 MET 25 -1.337 5.638 -7.725
188 HE3 MET 25 HE3 MET 25 -0.291 6.897 -8.382
189 H LYS 26 H LYS 26 -1.862 3.842 -2.473
190 HA LYS 26 HA LYS 26 -1.760 1.737 -2.042
191 HB2 LYS 26 HB2 LYS 26 -3.340 1.737 -4.561
192 HB3 LYS 26 HB1 LYS 26 -2.857 0.197 -3.857
193 HG2 LYS 26 HG2 LYS 26 -5.076 0.830 -3.050
194 HG3 LYS 26 HG1 LYS 26 -3.838 0.839 -1.774
195 HD2 LYS 26 HD2 LYS 26 -3.619 3.194 -1.943
196 HD3 LYS 26 HD1 LYS 26 -4.861 3.255 -3.188
197 HE2 LYS 26 HE2 LYS 26 -5.780 3.812 -0.970
198 HE3 LYS 26 HE1 LYS 26 -6.530 2.366 -1.649
199 HZ1 LYS 26 HZ1 LYS 26 -4.347 2.355 0.392
200 HZ2 LYS 26 HZ2 LYS 26 -5.167 0.996 -0.198
201 HZ3 LYS 26 HZ3 LYS 26 -5.980 2.136 0.704
202 H TYR 27 H TYR 27 0.488 2.795 -3.090
203 HA TYR 27 HA TYR 27 1.677 0.256 -3.738
204 HB2 TYR 27 HB2 TYR 27 3.021 0.803 -5.639
205 HB3 TYR 27 HB1 TYR 27 1.346 1.028 -6.044
206 HD1 TYR 27 HD1 TYR 27 0.627 3.181 -6.869
207 HD2 TYR 27 HD2 TYR 27 4.523 2.747 -5.240
208 HE1 TYR 27 HE1 TYR 27 1.253 5.387 -7.761
209 HE2 TYR 27 HE2 TYR 27 5.154 4.941 -6.112
210 HH TYR 27 HH TYR 27 2.851 7.149 -7.378
211 H CYS 28 H CYS 28 3.787 0.030 -3.592
212 HA CYS 28 HA CYS 28 4.846 1.518 -1.387
213 HB2 CYS 28 HB2 CYS 28 6.123 -0.704 -2.972
214 HB3 CYS 28 HB1 CYS 28 6.587 -0.144 -1.368
215 H ALA 29 H ALA 29 6.305 3.030 -1.445
216 HA ALA 29 HA ALA 29 7.787 3.593 -3.912
217 HB1 ALA 29 HB1 ALA 29 6.005 5.264 -3.585
218 HB2 ALA 29 HB2 ALA 29 7.584 5.995 -3.333
219 HB3 ALA 29 HB3 ALA 29 6.580 5.566 -1.947
220 H TRP 30 H TRP 30 9.750 5.186 -3.078
221 HA TRP 30 HA TRP 30 11.165 3.451 -1.358
222 HB2 TRP 30 HB2 TRP 30 11.997 6.037 -2.625
223 HB3 TRP 30 HB1 TRP 30 13.050 5.100 -1.578
224 HD1 TRP 30 HD TRP 30 12.091 5.424 -5.074
225 HE1 TRP 30 HE1 TRP 30 13.006 3.419 -6.440
226 HE3 TRP 30 HE3 TRP 30 13.253 2.527 -1.277
227 HZ2 TRP 30 HZ2 TRP 30 14.111 0.842 -5.872
228 HZ3 TRP 30 HZ3 TRP 30 14.252 0.234 -1.642
229 HH2 TRP 30 HH TRP 30 14.657 -0.568 -3.901
230 H ASP 31 H ASP 31 9.066 5.789 -0.609
231 HA ASP 31 HA ASP 31 9.347 5.561 2.074
232 HB2 ASP 31 HB2 ASP 31 10.041 7.764 2.775
233 HB3 ASP 31 HB1 ASP 31 11.257 7.248 1.620
234 H PHE 32 H PHE 32 7.576 6.832 2.945
235 HA PHE 32 HA PHE 32 5.571 7.122 0.828
236 HB2 PHE 32 HB2 PHE 32 3.807 6.851 2.533
237 HB3 PHE 32 HB1 PHE 32 4.905 5.487 2.476
238 HD1 PHE 32 HD1 PHE 32 6.147 4.847 4.403
239 HD2 PHE 32 HD2 PHE 32 3.914 8.467 4.419
240 HE1 PHE 32 HE1 PHE 32 6.432 5.007 6.836
241 HE2 PHE 32 HE2 PHE 32 4.200 8.636 6.855
242 HZ PHE 32 HZ PHE 32 5.458 6.904 8.066
243 H THR 33 H THR 33 7.443 9.107 2.604
244 HA THR 33 HA THR 33 5.427 11.095 3.132
245 HB THR 33 HB THR 33 7.425 12.438 3.980
246 HG1 THR 33 HG1 THR 33 8.772 10.385 2.817
247 HG21 THR 33 HG21 THR 33 7.580 11.110 6.054
248 HG22 THR 33 HG22 THR 33 6.852 9.736 5.224
249 HG23 THR 33 HG23 THR 33 5.915 11.206 5.482
250 H PHE 34 H PHE 34 8.575 12.055 1.976
251 HA PHE 34 HA PHE 34 7.450 13.026 -0.521
252 HB2 PHE 34 HB2 PHE 34 8.982 14.755 1.450
253 HB3 PHE 34 HB1 PHE 34 8.594 15.223 -0.198
254 HD1 PHE 34 HD1 PHE 34 6.205 15.575 -0.835
255 HD2 PHE 34 HD2 PHE 34 7.415 14.986 3.203
256 HE1 PHE 34 HE1 PHE 34 4.069 16.518 -0.061
257 HE2 PHE 34 HE2 PHE 34 5.281 15.925 3.983
258 HZ PHE 34 HZ PHE 34 3.604 16.692 2.351
259 H THR 35 H THR 35 8.640 11.929 -1.876
260 HA THR 35 HA THR 35 11.368 11.198 -1.379
261 HB THR 35 HB THR 35 9.658 10.951 -3.860
262 HG1 THR 35 HG1 THR 35 10.037 9.363 -1.555
263 HG21 THR 35 HG21 THR 35 11.233 9.176 -4.507
264 HG22 THR 35 HG22 THR 35 12.190 9.502 -3.062
265 HG23 THR 35 HG23 THR 35 12.060 10.723 -4.330
Start of MODEL 7
1 H1 ASP 1 HT1 ASP 1 8.915 -13.144 2.096
2 H2 ASP 1 HT2 ASP 1 7.333 -12.565 2.280
3 H3 ASP 1 HT3 ASP 1 8.619 -11.706 2.922
4 HA ASP 1 HA ASP 1 9.461 -11.172 0.814
5 HB2 ASP 1 HB2 ASP 1 8.761 -13.156 -0.425
6 HB3 ASP 1 HB1 ASP 1 7.069 -12.715 -0.211
7 H CYS 2 H CYS 2 8.977 -9.119 0.228
8 HA CYS 2 HA CYS 2 6.412 -8.030 1.150
9 HB2 CYS 2 HB2 CYS 2 7.769 -5.976 1.313
10 HB3 CYS 2 HB1 CYS 2 8.085 -7.199 2.537
11 H ARG 3 H ARG 3 5.849 -6.101 0.084
12 HA ARG 3 HA ARG 3 6.043 -6.370 -2.781
13 HB2 ARG 3 HB2 ARG 3 4.596 -4.402 -1.008
14 HB3 ARG 3 HB1 ARG 3 4.547 -4.353 -2.760
15 HG2 ARG 3 HG2 ARG 3 3.599 -6.658 -1.077
16 HG3 ARG 3 HG1 ARG 3 2.562 -5.395 -1.746
17 HD2 ARG 3 HD2 ARG 3 3.358 -6.018 -4.010
18 HD3 ARG 3 HD1 ARG 3 4.250 -7.357 -3.291
19 HE ARG 3 HE ARG 3 1.716 -7.668 -2.392
20 HH11 ARG 3 HH11 ARG 3 3.182 -7.430 -5.607
21 HH12 ARG 3 HH12 ARG 3 1.991 -8.382 -6.363
22 HH21 ARG 3 HH21 ARG 3 0.079 -8.988 -3.459
23 HH22 ARG 3 HH22 ARG 3 0.214 -9.270 -5.137
24 H TYR 4 H TYR 4 7.482 -5.332 -3.984
25 HA TYR 4 HA TYR 4 9.144 -3.441 -2.712
26 HB2 TYR 4 HB2 TYR 4 9.204 -4.883 -5.342
27 HB3 TYR 4 HB1 TYR 4 10.342 -3.637 -4.886
28 HD1 TYR 4 HD1 TYR 4 11.748 -3.989 -2.724
29 HD2 TYR 4 HD2 TYR 4 9.582 -7.118 -4.670
30 HE1 TYR 4 HE1 TYR 4 13.128 -5.607 -1.622
31 HE2 TYR 4 HE2 TYR 4 10.988 -8.772 -3.511
32 HH TYR 4 HH TYR 4 13.060 -7.883 -0.934
33 H MET 5 H MET 5 9.746 -1.969 -5.108
34 HA MET 5 HA MET 5 7.823 0.058 -4.673
35 HB2 MET 5 HB2 MET 5 10.338 0.280 -5.396
36 HB3 MET 5 HB1 MET 5 9.706 0.003 -7.004
37 HG2 MET 5 HG2 MET 5 8.290 1.942 -6.827
38 HG3 MET 5 HG1 MET 5 8.846 2.200 -5.172
39 HE1 MET 5 HE1 MET 5 8.928 4.551 -7.098
40 HE2 MET 5 HE2 MET 5 10.579 5.163 -6.900
41 HE3 MET 5 HE3 MET 5 9.676 4.612 -5.493
42 H PHE 6 H PHE 6 6.150 0.633 -5.688
43 HA PHE 6 HA PHE 6 4.444 0.814 -7.098
44 HB2 PHE 6 HB2 PHE 6 5.989 -0.897 -9.074
45 HB3 PHE 6 HB1 PHE 6 4.498 -0.030 -9.425
46 HD1 PHE 6 HD1 PHE 6 4.517 2.490 -9.272
47 HD2 PHE 6 HD2 PHE 6 8.062 0.158 -9.217
48 HE1 PHE 6 HE1 PHE 6 5.835 4.486 -9.862
49 HE2 PHE 6 HE2 PHE 6 9.392 2.117 -9.784
50 HZ PHE 6 HZ PHE 6 8.282 4.307 -10.123
51 H GLY 7 H GLY 7 5.391 -1.885 -5.576
52 HA2 GLY 7 HA2 GLY 7 3.345 -3.688 -6.417
53 HA3 GLY 7 HA1 GLY 7 4.329 -3.809 -4.957
54 H ASP 8 H ASP 8 1.423 -4.119 -5.401
55 HA ASP 8 HA ASP 8 0.009 -1.880 -4.369
56 HB2 ASP 8 HB2 ASP 8 -1.054 -3.415 -5.670
57 HB3 ASP 8 HB1 ASP 8 -0.700 -4.793 -4.615
58 H CYS 9 H CYS 9 -0.820 -1.489 -2.360
59 HA CYS 9 HA CYS 9 -0.036 -3.255 -0.211
60 HB2 CYS 9 HB2 CYS 9 1.230 -1.539 0.935
61 HB3 CYS 9 HB1 CYS 9 1.795 -1.820 -0.732
62 H GLU 10 H GLU 10 -1.038 -2.684 1.796
63 HA GLU 10 HA GLU 10 -3.288 -0.807 1.615
64 HB2 GLU 10 HB2 GLU 10 -2.965 -3.438 3.003
65 HB3 GLU 10 HB1 GLU 10 -4.104 -2.249 3.623
66 HG2 GLU 10 HG2 GLU 10 -4.127 -3.287 0.819
67 HG3 GLU 10 HG1 GLU 10 -5.059 -4.007 2.127
68 H LYS 11 H LYS 11 -0.532 -2.032 3.388
69 HA LYS 11 HA LYS 11 -0.402 0.431 4.841
70 HB2 LYS 11 HB2 LYS 11 0.063 -0.876 6.961
71 HB3 LYS 11 HB1 LYS 11 -1.609 -0.857 6.440
72 HG2 LYS 11 HG2 LYS 11 -1.360 -3.074 5.498
73 HG3 LYS 11 HG1 LYS 11 0.333 -3.108 5.992
74 HD2 LYS 11 HD2 LYS 11 -0.289 -2.997 8.302
75 HD3 LYS 11 HD1 LYS 11 -1.992 -2.774 7.884
76 HE2 LYS 11 HE2 LYS 11 -2.070 -5.001 6.929
77 HE3 LYS 11 HE1 LYS 11 -0.342 -5.212 7.223
78 HZ1 LYS 11 HZ1 LYS 11 -0.750 -5.058 9.557
79 HZ2 LYS 11 HZ2 LYS 11 -1.722 -6.297 8.925
80 HZ3 LYS 11 HZ3 LYS 11 -2.389 -4.795 9.321
81 H ASP 12 H ASP 12 1.764 0.128 6.239
82 HA ASP 12 HA ASP 12 3.715 -0.131 4.180
83 HB2 ASP 12 HB2 ASP 12 3.955 0.608 7.072
84 HB3 ASP 12 HB1 ASP 12 5.373 0.419 6.044
85 H GLU 13 H GLU 13 2.479 -2.273 6.421
86 HA GLU 13 HA GLU 13 4.689 -4.017 6.815
87 HB2 GLU 13 HB2 GLU 13 1.760 -4.540 6.703
88 HB3 GLU 13 HB1 GLU 13 2.918 -5.808 6.994
89 HG2 GLU 13 HG2 GLU 13 3.725 -4.628 8.995
90 HG3 GLU 13 HG1 GLU 13 2.507 -3.380 8.734
91 H ASP 14 H ASP 14 2.459 -3.536 4.250
92 HA ASP 14 HA ASP 14 2.918 -5.983 2.919
93 HB2 ASP 14 HB2 ASP 14 1.916 -3.359 1.784
94 HB3 ASP 14 HB1 ASP 14 1.872 -4.943 1.016
95 H CYS 15 H CYS 15 4.482 -2.900 2.978
96 HA CYS 15 HA CYS 15 6.111 -3.547 0.647
97 HB2 CYS 15 HB2 CYS 15 6.276 -1.077 2.328
98 HB3 CYS 15 HB1 CYS 15 6.819 -1.321 0.691
99 H CYS 16 H CYS 16 8.329 -3.553 0.777
100 HA CYS 16 HA CYS 16 9.598 -4.721 2.931
101 HB2 CYS 16 HB2 CYS 16 10.905 -3.025 0.833
102 HB3 CYS 16 HB1 CYS 16 11.605 -4.376 1.633
103 H LYS 17 H LYS 17 11.732 -3.600 3.781
104 HA LYS 17 HA LYS 17 10.757 -1.766 5.750
105 HB2 LYS 17 HB2 LYS 17 13.632 -2.538 5.260
106 HB3 LYS 17 HB1 LYS 17 12.949 -1.837 6.719
107 HG2 LYS 17 HG2 LYS 17 11.420 -3.869 6.643
108 HG3 LYS 17 HG1 LYS 17 12.648 -4.555 5.611
109 HD2 LYS 17 HD2 LYS 17 13.358 -3.437 8.336
110 HD3 LYS 17 HD1 LYS 17 12.888 -5.111 8.118
111 HE2 LYS 17 HE2 LYS 17 15.288 -4.942 8.225
112 HE3 LYS 17 HE1 LYS 17 14.832 -5.423 6.605
113 HZ1 LYS 17 HZ1 LYS 17 16.602 -3.805 6.648
114 HZ2 LYS 17 HZ2 LYS 17 15.661 -2.703 7.471
115 HZ3 LYS 17 HZ3 LYS 17 15.268 -3.148 5.864
116 H HIS 18 H HIS 18 12.812 -1.539 3.084
117 HA HIS 18 HA HIS 18 13.485 1.253 3.608
118 HB2 HIS 18 HB2 HIS 18 14.303 -0.407 1.202
119 HB3 HIS 18 HB1 HIS 18 14.981 1.140 1.681
120 HD1 HIS 18 HD1 HIS 18 16.428 -1.797 1.459
121 HD2 HIS 18 HD2 HIS 18 15.473 0.342 4.886
122 HE1 HIS 18 HE1 HIS 18 17.936 -2.686 3.278
123 H LEU 19 H LEU 19 10.784 0.068 2.611
124 HA LEU 19 HA LEU 19 10.257 2.101 0.553
125 HB2 LEU 19 HB2 LEU 19 9.173 -0.720 0.730
126 HB3 LEU 19 HB1 LEU 19 8.643 0.478 -0.417
127 HG LEU 19 HG LEU 19 11.502 -0.529 -0.347
128 HD11 LEU 19 HD11 LEU 19 9.968 -2.392 -0.803
129 HD12 LEU 19 HD12 LEU 19 10.926 -1.891 -2.211
130 HD13 LEU 19 HD13 LEU 19 9.236 -1.410 -2.085
131 HD21 LEU 19 HD21 LEU 19 11.536 0.263 -2.615
132 HD22 LEU 19 HD22 LEU 19 11.187 1.576 -1.487
133 HD23 LEU 19 HD23 LEU 19 9.886 0.858 -2.457
134 H GLY 20 H GLY 20 7.960 2.672 0.510
135 HA2 GLY 20 HA2 GLY 20 6.570 2.182 3.043
136 HA3 GLY 20 HA1 GLY 20 6.859 3.844 2.533
137 H CYS 21 H CYS 21 4.370 2.514 2.931
138 HA CYS 21 HA CYS 21 3.322 1.995 0.261
139 HB2 CYS 21 HB2 CYS 21 2.615 0.541 2.057
140 HB3 CYS 21 HB1 CYS 21 2.027 1.909 2.989
141 H LYS 22 H LYS 22 2.971 3.765 -0.953
142 HA LYS 22 HA LYS 22 2.192 6.359 -0.041
143 HB2 LYS 22 HB2 LYS 22 1.763 4.989 -2.641
144 HB3 LYS 22 HB1 LYS 22 1.378 6.677 -2.379
145 HG2 LYS 22 HG2 LYS 22 4.030 5.560 -1.912
146 HG3 LYS 22 HG1 LYS 22 3.552 6.115 -3.545
147 HD2 LYS 22 HD2 LYS 22 3.112 8.364 -2.509
148 HD3 LYS 22 HD1 LYS 22 3.770 7.750 -0.988
149 HE2 LYS 22 HE2 LYS 22 5.915 7.386 -1.988
150 HE3 LYS 22 HE1 LYS 22 5.292 7.769 -3.590
151 HZ1 LYS 22 HZ1 LYS 22 4.939 10.035 -2.829
152 HZ2 LYS 22 HZ2 LYS 22 6.543 9.576 -2.684
153 HZ3 LYS 22 HZ3 LYS 22 5.578 9.661 -1.313
154 H ARG 23 H ARG 23 0.403 6.740 0.891
155 HA ARG 23 HA ARG 23 -1.800 5.009 1.047
156 HB2 ARG 23 HB2 ARG 23 -2.017 7.950 1.540
157 HB3 ARG 23 HB1 ARG 23 -2.860 6.646 2.340
158 HG2 ARG 23 HG2 ARG 23 0.008 7.468 2.710
159 HG3 ARG 23 HG1 ARG 23 -1.314 7.653 3.856
160 HD2 ARG 23 HD2 ARG 23 -1.503 5.152 3.802
161 HD3 ARG 23 HD1 ARG 23 0.041 5.165 2.926
162 HE ARG 23 HE ARG 23 -0.161 6.570 5.480
163 HH11 ARG 23 HH11 ARG 23 1.358 3.973 3.628
164 HH12 ARG 23 HH12 ARG 23 2.339 3.479 4.964
165 HH21 ARG 23 HH21 ARG 23 1.224 5.844 7.234
166 HH22 ARG 23 HH22 ARG 23 2.273 4.530 6.960
167 H LYS 24 H LYS 24 -0.884 7.261 -1.242
168 HA LYS 24 HA LYS 24 -3.680 7.990 -1.836
169 HB2 LYS 24 HB2 LYS 24 -1.172 9.185 -3.007
170 HB3 LYS 24 HB1 LYS 24 -2.805 9.737 -3.316
171 HG2 LYS 24 HG2 LYS 24 -1.370 9.802 -0.671
172 HG3 LYS 24 HG1 LYS 24 -1.647 11.173 -1.729
173 HD2 LYS 24 HD2 LYS 24 -3.840 9.566 -0.386
174 HD3 LYS 24 HD1 LYS 24 -3.163 11.047 0.263
175 HE2 LYS 24 HE2 LYS 24 -5.168 11.715 -0.778
176 HE3 LYS 24 HE1 LYS 24 -3.913 12.155 -1.923
177 HZ1 LYS 24 HZ1 LYS 24 -4.494 10.212 -3.265
178 HZ2 LYS 24 HZ2 LYS 24 -5.852 11.127 -2.964
179 HZ3 LYS 24 HZ3 LYS 24 -5.618 9.716 -2.104
180 H MET 25 H MET 25 -1.181 6.063 -2.906
181 HA MET 25 HA MET 25 -2.510 5.741 -5.496
182 HB2 MET 25 HB2 MET 25 0.318 5.115 -4.694
183 HB3 MET 25 HB1 MET 25 -0.393 4.776 -6.243
184 HG2 MET 25 HG2 MET 25 0.903 6.689 -6.559
185 HG3 MET 25 HG1 MET 25 -0.747 7.282 -6.461
186 HE1 MET 25 HE1 MET 25 1.593 10.061 -4.936
187 HE2 MET 25 HE2 MET 25 0.439 9.672 -6.218
188 HE3 MET 25 HE3 MET 25 2.019 8.887 -6.184
189 H LYS 26 H LYS 26 -1.400 4.280 -2.601
190 HA LYS 26 HA LYS 26 -1.411 2.365 -1.686
191 HB2 LYS 26 HB2 LYS 26 -3.518 1.666 -3.724
192 HB3 LYS 26 HB1 LYS 26 -2.939 0.495 -2.550
193 HG2 LYS 26 HG2 LYS 26 -4.251 3.132 -1.919
194 HG3 LYS 26 HG1 LYS 26 -4.990 1.531 -1.784
195 HD2 LYS 26 HD2 LYS 26 -3.233 0.910 -0.138
196 HD3 LYS 26 HD1 LYS 26 -2.619 2.558 -0.217
197 HE2 LYS 26 HE2 LYS 26 -4.041 2.247 1.722
198 HE3 LYS 26 HE1 LYS 26 -4.744 3.406 0.596
199 HZ1 LYS 26 HZ1 LYS 26 -6.377 1.840 1.473
200 HZ2 LYS 26 HZ2 LYS 26 -5.542 0.538 0.801
201 HZ3 LYS 26 HZ3 LYS 26 -6.236 1.709 -0.190
202 H TYR 27 H TYR 27 0.645 2.892 -2.860
203 HA TYR 27 HA TYR 27 1.519 0.235 -3.515
204 HB2 TYR 27 HB2 TYR 27 2.813 0.602 -5.496
205 HB3 TYR 27 HB1 TYR 27 1.172 1.063 -5.833
206 HD1 TYR 27 HD1 TYR 27 0.856 3.122 -6.981
207 HD2 TYR 27 HD2 TYR 27 4.490 2.524 -4.870
208 HE1 TYR 27 HE1 TYR 27 1.753 5.191 -7.924
209 HE2 TYR 27 HE2 TYR 27 5.386 4.599 -5.802
210 HH TYR 27 HH TYR 27 5.069 6.067 -7.583
211 H CYS 28 H CYS 28 3.773 -0.045 -3.595
212 HA CYS 28 HA CYS 28 4.862 1.380 -1.341
213 HB2 CYS 28 HB2 CYS 28 6.005 -0.922 -2.912
214 HB3 CYS 28 HB1 CYS 28 6.542 -0.354 -1.333
215 H ALA 29 H ALA 29 6.146 3.003 -1.531
216 HA ALA 29 HA ALA 29 7.791 3.321 -3.941
217 HB1 ALA 29 HB1 ALA 29 6.029 5.029 -3.835
218 HB2 ALA 29 HB2 ALA 29 7.619 5.747 -3.574
219 HB3 ALA 29 HB3 ALA 29 6.546 5.445 -2.202
220 H TRP 30 H TRP 30 9.407 5.415 -2.762
221 HA TRP 30 HA TRP 30 10.912 3.629 -1.149
222 HB2 TRP 30 HB2 TRP 30 11.610 6.378 -2.139
223 HB3 TRP 30 HB1 TRP 30 12.646 5.454 -1.064
224 HD1 TRP 30 HD TRP 30 11.909 5.901 -4.648
225 HE1 TRP 30 HE1 TRP 30 13.160 4.099 -6.027
226 HE3 TRP 30 HE3 TRP 30 13.211 2.950 -0.904
227 HZ2 TRP 30 HZ2 TRP 30 14.537 1.649 -5.502
228 HZ3 TRP 30 HZ3 TRP 30 14.526 0.841 -1.322
229 HH2 TRP 30 HH TRP 30 15.156 0.232 -3.593
230 H ASP 31 H ASP 31 8.506 5.689 -0.358
231 HA ASP 31 HA ASP 31 8.735 5.077 2.284
232 HB2 ASP 31 HB2 ASP 31 9.126 7.164 3.310
233 HB3 ASP 31 HB1 ASP 31 10.356 7.051 2.058
234 H PHE 32 H PHE 32 6.957 6.614 3.255
235 HA PHE 32 HA PHE 32 4.662 6.018 1.508
236 HB2 PHE 32 HB2 PHE 32 3.312 5.906 3.583
237 HB3 PHE 32 HB1 PHE 32 4.611 4.727 3.500
238 HD1 PHE 32 HD1 PHE 32 6.327 4.685 5.127
239 HD2 PHE 32 HD2 PHE 32 3.541 7.913 5.092
240 HE1 PHE 32 HE1 PHE 32 7.124 5.402 7.339
241 HE2 PHE 32 HE2 PHE 32 4.323 8.617 7.289
242 HZ PHE 32 HZ PHE 32 6.122 7.370 8.425
243 H THR 33 H THR 33 6.289 8.757 2.413
244 HA THR 33 HA THR 33 4.037 10.324 3.176
245 HB THR 33 HB THR 33 6.781 11.312 2.369
246 HG1 THR 33 HG1 THR 33 7.240 9.910 3.861
247 HG21 THR 33 HG21 THR 33 4.712 12.317 4.321
248 HG22 THR 33 HG22 THR 33 5.027 13.028 2.735
249 HG23 THR 33 HG23 THR 33 6.264 13.094 4.000
250 H PHE 34 H PHE 34 3.163 12.035 1.991
251 HA PHE 34 HA PHE 34 3.616 12.082 -0.891
252 HB2 PHE 34 HB2 PHE 34 1.649 10.661 -0.476
253 HB3 PHE 34 HB1 PHE 34 0.967 11.890 0.572
254 HD1 PHE 34 HD1 PHE 34 -0.324 13.666 -0.311
255 HD2 PHE 34 HD2 PHE 34 1.799 11.074 -2.924
256 HE1 PHE 34 HE1 PHE 34 -1.554 14.599 -2.226
257 HE2 PHE 34 HE2 PHE 34 0.576 12.007 -4.845
258 HZ PHE 34 HZ PHE 34 -1.102 13.769 -4.497
259 H THR 35 H THR 35 3.261 14.178 -1.732
260 HA THR 35 HA THR 35 2.369 16.255 0.078
261 HB THR 35 HB THR 35 5.045 16.396 -1.358
262 HG1 THR 35 HG1 THR 35 4.282 15.528 1.129
263 HG21 THR 35 HG21 THR 35 3.904 18.579 -1.144
264 HG22 THR 35 HG22 THR 35 5.337 18.497 -0.121
265 HG23 THR 35 HG23 THR 35 3.734 18.310 0.592
Start of MODEL 8
1 H1 ASP 1 HT1 ASP 1 5.752 -12.500 2.008
2 H2 ASP 1 HT2 ASP 1 6.672 -11.769 3.197
3 H3 ASP 1 HT3 ASP 1 7.224 -13.197 2.483
4 HA ASP 1 HA ASP 1 8.416 -11.318 1.621
5 HB2 ASP 1 HB2 ASP 1 7.990 -11.615 -0.772
6 HB3 ASP 1 HB1 ASP 1 7.869 -13.169 0.037
7 H CYS 2 H CYS 2 8.390 -9.265 0.638
8 HA CYS 2 HA CYS 2 5.950 -7.751 1.200
9 HB2 CYS 2 HB2 CYS 2 7.556 -5.902 1.337
10 HB3 CYS 2 HB1 CYS 2 7.700 -7.096 2.623
11 H ARG 3 H ARG 3 5.866 -5.786 -0.000
12 HA ARG 3 HA ARG 3 6.270 -6.250 -2.839
13 HB2 ARG 3 HB2 ARG 3 4.331 -4.756 -1.189
14 HB3 ARG 3 HB1 ARG 3 4.819 -3.965 -2.674
15 HG2 ARG 3 HG2 ARG 3 2.776 -5.248 -2.982
16 HG3 ARG 3 HG1 ARG 3 4.089 -5.878 -3.967
17 HD2 ARG 3 HD2 ARG 3 2.855 -7.692 -3.052
18 HD3 ARG 3 HD1 ARG 3 4.441 -7.645 -2.288
19 HE ARG 3 HE ARG 3 3.332 -6.612 -0.351
20 HH11 ARG 3 HH11 ARG 3 1.324 -8.437 -2.642
21 HH12 ARG 3 HH12 ARG 3 0.179 -8.924 -1.489
22 HH21 ARG 3 HH21 ARG 3 1.765 -7.330 1.263
23 HH22 ARG 3 HH22 ARG 3 0.419 -8.242 0.791
24 H TYR 4 H TYR 4 7.615 -5.006 -4.001
25 HA TYR 4 HA TYR 4 9.191 -3.073 -2.629
26 HB2 TYR 4 HB2 TYR 4 9.303 -4.430 -5.312
27 HB3 TYR 4 HB1 TYR 4 10.414 -3.174 -4.814
28 HD1 TYR 4 HD1 TYR 4 9.636 -6.665 -4.657
29 HD2 TYR 4 HD2 TYR 4 11.876 -3.596 -2.754
30 HE1 TYR 4 HE1 TYR 4 11.017 -8.364 -3.540
31 HE2 TYR 4 HE2 TYR 4 13.262 -5.281 -1.650
32 HH TYR 4 HH TYR 4 12.972 -7.683 -0.950
33 H MET 5 H MET 5 9.706 -1.498 -4.967
34 HA MET 5 HA MET 5 7.578 0.347 -4.635
35 HB2 MET 5 HB2 MET 5 10.086 0.769 -5.332
36 HB3 MET 5 HB1 MET 5 9.477 0.484 -6.949
37 HG2 MET 5 HG2 MET 5 7.909 2.301 -6.703
38 HG3 MET 5 HG1 MET 5 8.435 2.530 -5.037
39 HE1 MET 5 HE1 MET 5 8.358 5.055 -6.581
40 HE2 MET 5 HE2 MET 5 9.995 5.713 -6.410
41 HE3 MET 5 HE3 MET 5 9.219 4.931 -5.038
42 H PHE 6 H PHE 6 5.891 0.781 -5.733
43 HA PHE 6 HA PHE 6 4.198 0.700 -7.174
44 HB2 PHE 6 HB2 PHE 6 6.053 -0.795 -9.045
45 HB3 PHE 6 HB1 PHE 6 4.451 -0.210 -9.479
46 HD1 PHE 6 HD1 PHE 6 4.020 2.216 -9.566
47 HD2 PHE 6 HD2 PHE 6 7.914 0.644 -8.972
48 HE1 PHE 6 HE1 PHE 6 4.990 4.390 -10.180
49 HE2 PHE 6 HE2 PHE 6 8.902 2.784 -9.559
50 HZ PHE 6 HZ PHE 6 7.442 4.690 -10.181
51 H GLY 7 H GLY 7 5.196 -1.677 -5.392
52 HA2 GLY 7 HA2 GLY 7 3.319 -3.671 -6.349
53 HA3 GLY 7 HA1 GLY 7 4.343 -3.787 -4.913
54 H ASP 8 H ASP 8 1.414 -4.160 -5.270
55 HA ASP 8 HA ASP 8 -0.045 -1.960 -4.256
56 HB2 ASP 8 HB2 ASP 8 -1.145 -3.622 -5.400
57 HB3 ASP 8 HB1 ASP 8 -0.645 -4.911 -4.296
58 H CYS 9 H CYS 9 -0.819 -1.480 -2.252
59 HA CYS 9 HA CYS 9 0.052 -3.112 -0.019
60 HB2 CYS 9 HB2 CYS 9 1.395 -1.407 0.980
61 HB3 CYS 9 HB1 CYS 9 1.867 -1.660 -0.719
62 H GLU 10 H GLU 10 -1.044 -2.582 1.929
63 HA GLU 10 HA GLU 10 -3.041 -0.478 1.685
64 HB2 GLU 10 HB2 GLU 10 -3.200 -3.053 3.228
65 HB3 GLU 10 HB1 GLU 10 -4.383 -1.759 3.290
66 HG2 GLU 10 HG2 GLU 10 -4.690 -2.079 0.814
67 HG3 GLU 10 HG1 GLU 10 -3.708 -3.534 0.972
68 H LYS 11 H LYS 11 -0.624 -2.144 3.618
69 HA LYS 11 HA LYS 11 -0.507 0.221 5.257
70 HB2 LYS 11 HB2 LYS 11 0.114 -1.267 7.185
71 HB3 LYS 11 HB1 LYS 11 -1.564 -1.381 6.692
72 HG2 LYS 11 HG2 LYS 11 -1.082 -3.442 5.505
73 HG3 LYS 11 HG1 LYS 11 0.616 -3.321 5.960
74 HD2 LYS 11 HD2 LYS 11 0.030 -3.519 8.305
75 HD3 LYS 11 HD1 LYS 11 -1.689 -3.541 7.895
76 HE2 LYS 11 HE2 LYS 11 -1.438 -5.622 6.734
77 HE3 LYS 11 HE1 LYS 11 0.311 -5.569 6.927
78 HZ1 LYS 11 HZ1 LYS 11 -1.670 -5.842 9.126
79 HZ2 LYS 11 HZ2 LYS 11 0.021 -5.760 9.300
80 HZ3 LYS 11 HZ3 LYS 11 -0.684 -7.062 8.483
81 H ASP 12 H ASP 12 1.709 -0.031 6.501
82 HA ASP 12 HA ASP 12 3.581 0.061 4.330
83 HB2 ASP 12 HB2 ASP 12 4.091 0.463 7.275
84 HB3 ASP 12 HB1 ASP 12 5.260 0.746 5.990
85 H GLU 13 H GLU 13 2.609 -2.315 6.426
86 HA GLU 13 HA GLU 13 5.028 -3.836 6.623
87 HB2 GLU 13 HB2 GLU 13 2.201 -4.696 6.759
88 HB3 GLU 13 HB1 GLU 13 3.554 -5.731 7.136
89 HG2 GLU 13 HG2 GLU 13 4.223 -4.014 8.907
90 HG3 GLU 13 HG1 GLU 13 2.627 -3.303 8.659
91 H ASP 14 H ASP 14 2.575 -3.425 4.253
92 HA ASP 14 HA ASP 14 2.969 -5.884 2.929
93 HB2 ASP 14 HB2 ASP 14 1.865 -3.307 1.770
94 HB3 ASP 14 HB1 ASP 14 1.863 -4.928 1.078
95 H CYS 15 H CYS 15 4.588 -2.888 3.010
96 HA CYS 15 HA CYS 15 6.057 -3.431 0.558
97 HB2 CYS 15 HB2 CYS 15 6.351 -1.063 2.381
98 HB3 CYS 15 HB1 CYS 15 6.848 -1.232 0.718
99 H CYS 16 H CYS 16 8.281 -3.495 0.602
100 HA CYS 16 HA CYS 16 9.508 -4.816 2.714
101 HB2 CYS 16 HB2 CYS 16 10.784 -3.334 0.441
102 HB3 CYS 16 HB1 CYS 16 11.517 -4.574 1.417
103 H LYS 17 H LYS 17 11.838 -3.879 3.285
104 HA LYS 17 HA LYS 17 11.345 -2.280 5.539
105 HB2 LYS 17 HB2 LYS 17 13.981 -2.824 4.216
106 HB3 LYS 17 HB1 LYS 17 13.731 -2.269 5.863
107 HG2 LYS 17 HG2 LYS 17 12.789 -4.881 4.756
108 HG3 LYS 17 HG1 LYS 17 14.279 -4.620 5.664
109 HD2 LYS 17 HD2 LYS 17 12.910 -3.828 7.578
110 HD3 LYS 17 HD1 LYS 17 11.449 -4.162 6.646
111 HE2 LYS 17 HE2 LYS 17 11.841 -5.992 8.164
112 HE3 LYS 17 HE1 LYS 17 12.132 -6.535 6.513
113 HZ1 LYS 17 HZ1 LYS 17 13.851 -7.337 8.010
114 HZ2 LYS 17 HZ2 LYS 17 14.238 -5.775 8.476
115 HZ3 LYS 17 HZ3 LYS 17 14.520 -6.285 6.895
116 H HIS 18 H HIS 18 13.187 -1.522 2.719
117 HA HIS 18 HA HIS 18 13.648 1.199 3.491
118 HB2 HIS 18 HB2 HIS 18 14.146 -0.179 0.859
119 HB3 HIS 18 HB1 HIS 18 14.579 1.494 1.174
120 HD1 HIS 18 HD1 HIS 18 16.100 -1.730 1.140
121 HD2 HIS 18 HD2 HIS 18 16.322 1.573 3.645
122 HE1 HIS 18 HE1 HIS 18 18.270 -1.927 2.370
123 H LEU 19 H LEU 19 10.809 -0.010 2.542
124 HA LEU 19 HA LEU 19 10.109 2.436 1.059
125 HB2 LEU 19 HB2 LEU 19 9.113 -0.354 0.545
126 HB3 LEU 19 HB1 LEU 19 8.444 1.082 -0.188
127 HG LEU 19 HG LEU 19 10.998 1.347 -0.953
128 HD11 LEU 19 HD11 LEU 19 11.911 -0.784 -1.632
129 HD12 LEU 19 HD12 LEU 19 10.604 -1.620 -0.797
130 HD13 LEU 19 HD13 LEU 19 11.776 -0.669 0.127
131 HD21 LEU 19 HD21 LEU 19 8.930 -0.355 -2.299
132 HD22 LEU 19 HD22 LEU 19 10.345 0.356 -3.073
133 HD23 LEU 19 HD23 LEU 19 9.089 1.401 -2.402
134 H GLY 20 H GLY 20 7.827 2.826 1.004
135 HA2 GLY 20 HA2 GLY 20 6.445 2.008 3.437
136 HA3 GLY 20 HA1 GLY 20 6.619 3.721 3.032
137 H CYS 21 H CYS 21 4.135 2.545 3.235
138 HA CYS 21 HA CYS 21 3.305 1.821 0.550
139 HB2 CYS 21 HB2 CYS 21 2.410 0.538 2.385
140 HB3 CYS 21 HB1 CYS 21 1.822 1.998 3.170
141 H LYS 22 H LYS 22 2.612 3.344 -0.872
142 HA LYS 22 HA LYS 22 1.919 5.917 0.202
143 HB2 LYS 22 HB2 LYS 22 2.172 4.919 -2.606
144 HB3 LYS 22 HB1 LYS 22 1.461 6.486 -2.233
145 HG2 LYS 22 HG2 LYS 22 4.095 5.595 -1.303
146 HG3 LYS 22 HG1 LYS 22 3.896 6.516 -2.818
147 HD2 LYS 22 HD2 LYS 22 2.805 8.285 -1.406
148 HD3 LYS 22 HD1 LYS 22 3.250 7.370 0.023
149 HE2 LYS 22 HE2 LYS 22 5.595 7.592 -0.485
150 HE3 LYS 22 HE1 LYS 22 5.232 8.338 -2.037
151 HZ1 LYS 22 HZ1 LYS 22 5.883 9.962 -0.389
152 HZ2 LYS 22 HZ2 LYS 22 4.609 9.576 0.622
153 HZ3 LYS 22 HZ3 LYS 22 4.324 10.230 -0.897
154 H ARG 23 H ARG 23 0.168 6.353 0.869
155 HA ARG 23 HA ARG 23 -2.115 4.706 0.672
156 HB2 ARG 23 HB2 ARG 23 -1.747 7.506 1.724
157 HB3 ARG 23 HB1 ARG 23 -3.267 6.651 1.807
158 HG2 ARG 23 HG2 ARG 23 -2.254 6.540 3.947
159 HG3 ARG 23 HG1 ARG 23 -2.123 4.936 3.217
160 HD2 ARG 23 HD2 ARG 23 0.202 5.246 2.824
161 HD3 ARG 23 HD1 ARG 23 0.107 6.957 3.246
162 HE ARG 23 HE ARG 23 -0.619 6.093 5.508
163 HH11 ARG 23 HH11 ARG 23 1.695 4.358 3.509
164 HH12 ARG 23 HH12 ARG 23 2.564 3.686 4.812
165 HH21 ARG 23 HH21 ARG 23 0.646 5.159 7.346
166 HH22 ARG 23 HH22 ARG 23 1.966 4.137 6.948
167 H LYS 24 H LYS 24 -0.860 7.185 -1.162
168 HA LYS 24 HA LYS 24 -3.452 8.064 -2.231
169 HB2 LYS 24 HB2 LYS 24 -1.801 9.812 -1.844
170 HB3 LYS 24 HB1 LYS 24 -0.632 8.971 -2.852
171 HG2 LYS 24 HG2 LYS 24 -2.149 9.275 -4.786
172 HG3 LYS 24 HG1 LYS 24 -3.208 10.234 -3.763
173 HD2 LYS 24 HD2 LYS 24 -1.466 11.872 -3.442
174 HD3 LYS 24 HD1 LYS 24 -0.322 10.875 -4.348
175 HE2 LYS 24 HE2 LYS 24 -2.865 12.079 -5.447
176 HE3 LYS 24 HE1 LYS 24 -1.238 12.689 -5.737
177 HZ1 LYS 24 HZ1 LYS 24 -2.026 11.334 -7.581
178 HZ2 LYS 24 HZ2 LYS 24 -2.246 10.009 -6.576
179 HZ3 LYS 24 HZ3 LYS 24 -0.693 10.616 -6.848
180 H MET 25 H MET 25 -0.880 5.977 -2.924
181 HA MET 25 HA MET 25 -1.649 5.905 -5.749
182 HB2 MET 25 HB2 MET 25 1.011 5.022 -4.608
183 HB3 MET 25 HB1 MET 25 0.543 5.275 -6.258
184 HG2 MET 25 HG2 MET 25 0.824 7.443 -4.196
185 HG3 MET 25 HG1 MET 25 1.960 7.078 -5.489
186 HE1 MET 25 HE1 MET 25 -0.082 8.147 -8.659
187 HE2 MET 25 HE2 MET 25 -0.043 6.530 -7.958
188 HE3 MET 25 HE3 MET 25 1.439 7.485 -8.058
189 H LYS 26 H LYS 26 -1.582 4.192 -2.844
190 HA LYS 26 HA LYS 26 -2.023 2.139 -2.145
191 HB2 LYS 26 HB2 LYS 26 -3.217 1.702 -4.884
192 HB3 LYS 26 HB1 LYS 26 -3.429 0.660 -3.504
193 HG2 LYS 26 HG2 LYS 26 -4.392 3.498 -3.713
194 HG3 LYS 26 HG1 LYS 26 -5.399 2.042 -3.701
195 HD2 LYS 26 HD2 LYS 26 -4.449 1.535 -1.437
196 HD3 LYS 26 HD1 LYS 26 -3.654 3.103 -1.508
197 HE2 LYS 26 HE2 LYS 26 -6.655 2.666 -1.638
198 HE3 LYS 26 HE1 LYS 26 -5.777 3.157 -0.197
199 HZ1 LYS 26 HZ1 LYS 26 -6.805 5.031 -1.284
200 HZ2 LYS 26 HZ2 LYS 26 -6.020 4.727 -2.718
201 HZ3 LYS 26 HZ3 LYS 26 -5.132 5.207 -1.355
202 H TYR 27 H TYR 27 0.349 2.720 -3.105
203 HA TYR 27 HA TYR 27 1.351 0.079 -3.476
204 HB2 TYR 27 HB2 TYR 27 2.755 0.385 -5.449
205 HB3 TYR 27 HB1 TYR 27 1.070 0.516 -5.857
206 HD1 TYR 27 HD1 TYR 27 3.940 2.746 -4.936
207 HD2 TYR 27 HD2 TYR 27 0.539 2.155 -7.413
208 HE1 TYR 27 HE1 TYR 27 4.505 4.768 -6.165
209 HE2 TYR 27 HE2 TYR 27 1.089 4.199 -8.655
210 HH TYR 27 HH TYR 27 4.108 5.810 -8.235
211 H CYS 28 H CYS 28 3.616 -0.090 -3.450
212 HA CYS 28 HA CYS 28 4.568 1.510 -1.295
213 HB2 CYS 28 HB2 CYS 28 5.929 -0.688 -2.826
214 HB3 CYS 28 HB1 CYS 28 6.412 -0.043 -1.259
215 H ALA 29 H ALA 29 6.023 3.028 -1.298
216 HA ALA 29 HA ALA 29 7.626 3.588 -3.675
217 HB1 ALA 29 HB1 ALA 29 6.219 5.622 -1.931
218 HB2 ALA 29 HB2 ALA 29 5.783 5.221 -3.592
219 HB3 ALA 29 HB3 ALA 29 7.328 5.997 -3.249
220 H TRP 30 H TRP 30 9.357 5.431 -2.642
221 HA TRP 30 HA TRP 30 10.741 3.731 -0.857
222 HB2 TRP 30 HB2 TRP 30 11.485 6.438 -1.909
223 HB3 TRP 30 HB1 TRP 30 12.522 5.488 -0.861
224 HD1 TRP 30 HD TRP 30 11.736 6.008 -4.385
225 HE1 TRP 30 HE1 TRP 30 12.897 4.170 -5.835
226 HE3 TRP 30 HE3 TRP 30 12.940 2.925 -0.748
227 HZ2 TRP 30 HZ2 TRP 30 14.171 1.684 -5.396
228 HZ3 TRP 30 HZ3 TRP 30 14.156 0.754 -1.233
229 HH2 TRP 30 HH TRP 30 14.741 0.179 -3.536
230 H ASP 31 H ASP 31 8.306 5.704 -0.081
231 HA ASP 31 HA ASP 31 8.803 5.672 2.624
232 HB2 ASP 31 HB2 ASP 31 10.209 7.559 1.986
233 HB3 ASP 31 HB1 ASP 31 8.854 8.374 1.208
234 H PHE 32 H PHE 32 6.871 7.337 3.312
235 HA PHE 32 HA PHE 32 4.536 6.406 1.777
236 HB2 PHE 32 HB2 PHE 32 3.439 5.648 3.836
237 HB3 PHE 32 HB1 PHE 32 4.885 4.735 3.463
238 HD1 PHE 32 HD1 PHE 32 3.215 6.868 5.859
239 HD2 PHE 32 HD2 PHE 32 6.947 5.106 4.835
240 HE1 PHE 32 HE1 PHE 32 4.037 7.281 8.142
241 HE2 PHE 32 HE2 PHE 32 7.768 5.520 7.118
242 HZ PHE 32 HZ PHE 32 6.311 6.605 8.770
243 H THR 33 H THR 33 5.947 8.859 3.751
244 HA THR 33 HA THR 33 3.567 9.986 4.776
245 HB THR 33 HB THR 33 5.018 11.964 5.302
246 HG1 THR 33 HG1 THR 33 7.105 10.348 4.185
247 HG21 THR 33 HG21 THR 33 4.804 10.115 6.890
248 HG22 THR 33 HG22 THR 33 6.447 10.759 6.918
249 HG23 THR 33 HG23 THR 33 6.104 9.252 6.074
250 H PHE 34 H PHE 34 2.729 12.129 4.282
251 HA PHE 34 HA PHE 34 2.516 12.459 1.409
252 HB2 PHE 34 HB2 PHE 34 1.011 13.865 3.628
253 HB3 PHE 34 HB1 PHE 34 0.634 13.908 1.912
254 HD1 PHE 34 HD1 PHE 34 -0.112 11.781 0.790
255 HD2 PHE 34 HD2 PHE 34 0.190 12.173 5.011
256 HE1 PHE 34 HE1 PHE 34 -1.585 9.834 1.077
257 HE2 PHE 34 HE2 PHE 34 -1.271 10.233 5.303
258 HZ PHE 34 HZ PHE 34 -2.163 9.056 3.337
259 H THR 35 H THR 35 4.317 13.532 0.758
260 HA THR 35 HA THR 35 4.571 16.282 1.646
261 HB THR 35 HB THR 35 6.924 14.364 1.677
262 HG1 THR 35 HG1 THR 35 5.136 15.249 3.569
263 HG21 THR 35 HG21 THR 35 7.543 16.649 0.964
264 HG22 THR 35 HG22 THR 35 8.189 16.276 2.562
265 HG23 THR 35 HG23 THR 35 6.765 17.302 2.406
Start of MODEL 9
1 H1 ASP 1 HT1 ASP 1 8.723 -12.212 2.870
2 H2 ASP 1 HT2 ASP 1 9.143 -13.427 1.795
3 H3 ASP 1 HT3 ASP 1 7.551 -12.835 1.838
4 HA ASP 1 HA ASP 1 9.955 -11.283 1.079
5 HB2 ASP 1 HB2 ASP 1 9.083 -11.263 -1.178
6 HB3 ASP 1 HB1 ASP 1 9.186 -12.939 -0.658
7 H CYS 2 H CYS 2 9.103 -9.230 -0.152
8 HA CYS 2 HA CYS 2 6.767 -8.139 1.180
9 HB2 CYS 2 HB2 CYS 2 8.071 -6.096 1.254
10 HB3 CYS 2 HB1 CYS 2 8.573 -7.302 2.438
11 H ARG 3 H ARG 3 6.203 -6.160 0.113
12 HA ARG 3 HA ARG 3 6.465 -6.513 -2.759
13 HB2 ARG 3 HB2 ARG 3 4.593 -4.757 -1.176
14 HB3 ARG 3 HB1 ARG 3 4.579 -4.938 -2.925
15 HG2 ARG 3 HG2 ARG 3 4.010 -7.289 -2.705
16 HG3 ARG 3 HG1 ARG 3 4.078 -7.155 -0.943
17 HD2 ARG 3 HD2 ARG 3 2.308 -5.458 -1.068
18 HD3 ARG 3 HD1 ARG 3 2.225 -5.718 -2.803
19 HE ARG 3 HE ARG 3 1.825 -8.175 -1.857
20 HH11 ARG 3 HH11 ARG 3 0.337 -5.081 -1.060
21 HH12 ARG 3 HH12 ARG 3 -1.170 -5.724 -0.604
22 HH21 ARG 3 HH21 ARG 3 -0.275 -9.090 -1.218
23 HH22 ARG 3 HH22 ARG 3 -1.509 -8.072 -0.665
24 H TYR 4 H TYR 4 7.509 -5.113 -4.043
25 HA TYR 4 HA TYR 4 9.118 -3.147 -2.746
26 HB2 TYR 4 HB2 TYR 4 9.073 -4.416 -5.459
27 HB3 TYR 4 HB1 TYR 4 10.215 -3.190 -4.977
28 HD1 TYR 4 HD1 TYR 4 11.652 -3.788 -2.761
29 HD2 TYR 4 HD2 TYR 4 9.602 -6.627 -5.202
30 HE1 TYR 4 HE1 TYR 4 13.103 -5.540 -1.932
31 HE2 TYR 4 HE2 TYR 4 11.061 -8.403 -4.335
32 HH TYR 4 HH TYR 4 13.308 -8.582 -3.372
33 H MET 5 H MET 5 9.523 -1.515 -4.950
34 HA MET 5 HA MET 5 7.427 0.352 -4.630
35 HB2 MET 5 HB2 MET 5 9.929 0.701 -5.407
36 HB3 MET 5 HB1 MET 5 9.261 0.419 -7.000
37 HG2 MET 5 HG2 MET 5 7.699 2.258 -6.673
38 HG3 MET 5 HG1 MET 5 8.374 2.522 -5.067
39 HE1 MET 5 HE1 MET 5 9.188 4.878 -5.169
40 HE2 MET 5 HE2 MET 5 8.179 4.993 -6.618
41 HE3 MET 5 HE3 MET 5 9.822 5.655 -6.616
42 H PHE 6 H PHE 6 5.701 0.791 -5.727
43 HA PHE 6 HA PHE 6 4.007 0.714 -7.182
44 HB2 PHE 6 HB2 PHE 6 5.784 -0.948 -8.994
45 HB3 PHE 6 HB1 PHE 6 4.185 -0.361 -9.436
46 HD1 PHE 6 HD1 PHE 6 7.674 0.514 -8.901
47 HD2 PHE 6 HD2 PHE 6 3.820 2.008 -9.883
48 HE1 PHE 6 HE1 PHE 6 8.701 2.575 -9.675
49 HE2 PHE 6 HE2 PHE 6 4.837 4.104 -10.684
50 HZ PHE 6 HZ PHE 6 7.281 4.397 -10.589
51 H GLY 7 H GLY 7 5.222 -1.855 -5.546
52 HA2 GLY 7 HA2 GLY 7 3.241 -3.804 -6.206
53 HA3 GLY 7 HA1 GLY 7 4.277 -3.800 -4.778
54 H ASP 8 H ASP 8 1.444 -4.311 -4.961
55 HA ASP 8 HA ASP 8 -0.161 -2.073 -4.264
56 HB2 ASP 8 HB2 ASP 8 -1.153 -3.940 -5.162
57 HB3 ASP 8 HB1 ASP 8 -0.552 -5.022 -3.890
58 H CYS 9 H CYS 9 -0.866 -1.318 -2.338
59 HA CYS 9 HA CYS 9 -0.052 -2.758 0.023
60 HB2 CYS 9 HB2 CYS 9 1.381 -1.153 0.932
61 HB3 CYS 9 HB1 CYS 9 1.798 -1.321 -0.783
62 H GLU 10 H GLU 10 -1.201 -2.297 1.761
63 HA GLU 10 HA GLU 10 -3.045 -0.040 1.660
64 HB2 GLU 10 HB2 GLU 10 -3.486 -2.801 2.799
65 HB3 GLU 10 HB1 GLU 10 -4.569 -1.437 3.050
66 HG2 GLU 10 HG2 GLU 10 -4.956 -1.294 0.646
67 HG3 GLU 10 HG1 GLU 10 -3.852 -2.638 0.386
68 H LYS 11 H LYS 11 -0.609 -1.881 3.347
69 HA LYS 11 HA LYS 11 -0.492 0.169 5.346
70 HB2 LYS 11 HB2 LYS 11 0.127 -1.753 6.954
71 HB3 LYS 11 HB1 LYS 11 -1.573 -1.468 6.628
72 HG2 LYS 11 HG2 LYS 11 -1.549 -3.321 5.003
73 HG3 LYS 11 HG1 LYS 11 0.151 -3.603 5.365
74 HD2 LYS 11 HD2 LYS 11 -0.372 -4.224 7.622
75 HD3 LYS 11 HD1 LYS 11 -2.050 -3.719 7.422
76 HE2 LYS 11 HE2 LYS 11 -1.834 -6.156 7.310
77 HE3 LYS 11 HE1 LYS 11 -2.409 -5.489 5.788
78 HZ1 LYS 11 HZ1 LYS 11 0.393 -6.343 6.341
79 HZ2 LYS 11 HZ2 LYS 11 -0.193 -5.786 4.839
80 HZ3 LYS 11 HZ3 LYS 11 -0.758 -7.204 5.493
81 H ASP 12 H ASP 12 1.676 -0.028 6.409
82 HA ASP 12 HA ASP 12 3.626 -0.069 4.289
83 HB2 ASP 12 HB2 ASP 12 4.140 0.243 7.255
84 HB3 ASP 12 HB1 ASP 12 5.306 0.541 5.973
85 H GLU 13 H GLU 13 2.428 -2.319 6.340
86 HA GLU 13 HA GLU 13 4.610 -4.060 6.825
87 HB2 GLU 13 HB2 GLU 13 1.684 -4.600 6.561
88 HB3 GLU 13 HB1 GLU 13 2.857 -5.754 7.156
89 HG2 GLU 13 HG2 GLU 13 2.243 -3.096 8.421
90 HG3 GLU 13 HG1 GLU 13 1.679 -4.664 9.001
91 H ASP 14 H ASP 14 2.530 -3.494 4.132
92 HA ASP 14 HA ASP 14 2.908 -6.023 2.896
93 HB2 ASP 14 HB2 ASP 14 2.001 -3.453 1.553
94 HB3 ASP 14 HB1 ASP 14 1.745 -5.109 1.026
95 H CYS 15 H CYS 15 4.511 -2.997 2.963
96 HA CYS 15 HA CYS 15 6.124 -3.569 0.603
97 HB2 CYS 15 HB2 CYS 15 6.286 -1.145 2.349
98 HB3 CYS 15 HB1 CYS 15 6.788 -1.337 0.688
99 H CYS 16 H CYS 16 8.357 -3.557 0.714
100 HA CYS 16 HA CYS 16 9.684 -4.717 2.850
101 HB2 CYS 16 HB2 CYS 16 10.945 -2.943 0.796
102 HB3 CYS 16 HB1 CYS 16 11.662 -4.309 1.554
103 H LYS 17 H LYS 17 11.718 -3.582 3.757
104 HA LYS 17 HA LYS 17 10.724 -1.595 5.592
105 HB2 LYS 17 HB2 LYS 17 13.537 -2.590 5.261
106 HB3 LYS 17 HB1 LYS 17 12.863 -1.752 6.648
107 HG2 LYS 17 HG2 LYS 17 12.037 -4.449 5.664
108 HG3 LYS 17 HG1 LYS 17 13.137 -4.086 6.995
109 HD2 LYS 17 HD2 LYS 17 11.303 -2.984 8.202
110 HD3 LYS 17 HD1 LYS 17 10.230 -3.217 6.822
111 HE2 LYS 17 HE2 LYS 17 10.492 -5.675 7.119
112 HE3 LYS 17 HE1 LYS 17 11.421 -5.349 8.583
113 HZ1 LYS 17 HZ1 LYS 17 9.450 -4.202 9.485
114 HZ2 LYS 17 HZ2 LYS 17 9.124 -5.811 9.137
115 HZ3 LYS 17 HZ3 LYS 17 8.587 -4.606 8.105
116 H HIS 18 H HIS 18 13.140 -1.697 3.183
117 HA HIS 18 HA HIS 18 13.964 1.029 3.221
118 HB2 HIS 18 HB2 HIS 18 14.056 -0.952 0.944
119 HB3 HIS 18 HB1 HIS 18 14.658 0.686 0.798
120 HD1 HIS 18 HD1 HIS 18 15.768 -2.634 1.639
121 HD2 HIS 18 HD2 HIS 18 16.750 1.227 2.790
122 HE1 HIS 18 HE1 HIS 18 18.094 -2.758 2.567
123 H LEU 19 H LEU 19 10.927 0.063 2.603
124 HA LEU 19 HA LEU 19 10.443 2.342 0.874
125 HB2 LEU 19 HB2 LEU 19 9.243 -0.401 0.650
126 HB3 LEU 19 HB1 LEU 19 8.510 1.007 -0.079
127 HG LEU 19 HG LEU 19 10.941 1.212 -1.151
128 HD11 LEU 19 HD11 LEU 19 11.843 -0.752 -0.036
129 HD12 LEU 19 HD12 LEU 19 11.815 -0.919 -1.794
130 HD13 LEU 19 HD13 LEU 19 10.603 -1.745 -0.820
131 HD21 LEU 19 HD21 LEU 19 10.041 0.116 -3.108
132 HD22 LEU 19 HD22 LEU 19 8.859 1.171 -2.330
133 HD23 LEU 19 HD23 LEU 19 8.755 -0.582 -2.124
134 H GLY 20 H GLY 20 7.892 2.547 0.847
135 HA2 GLY 20 HA2 GLY 20 6.705 1.991 3.417
136 HA3 GLY 20 HA1 GLY 20 6.904 3.691 2.965
137 H CYS 21 H CYS 21 4.368 2.526 3.311
138 HA CYS 21 HA CYS 21 3.439 1.905 0.639
139 HB2 CYS 21 HB2 CYS 21 2.508 0.593 2.420
140 HB3 CYS 21 HB1 CYS 21 2.040 2.037 3.307
141 H LYS 22 H LYS 22 2.513 3.331 -0.710
142 HA LYS 22 HA LYS 22 1.751 5.882 0.425
143 HB2 LYS 22 HB2 LYS 22 2.450 5.107 -2.379
144 HB3 LYS 22 HB1 LYS 22 1.586 6.593 -2.011
145 HG2 LYS 22 HG2 LYS 22 4.188 5.784 -0.871
146 HG3 LYS 22 HG1 LYS 22 4.027 6.909 -2.241
147 HD2 LYS 22 HD2 LYS 22 2.630 8.343 -0.693
148 HD3 LYS 22 HD1 LYS 22 3.064 7.256 0.611
149 HE2 LYS 22 HE2 LYS 22 4.524 9.234 0.572
150 HE3 LYS 22 HE1 LYS 22 5.425 7.744 0.301
151 HZ1 LYS 22 HZ1 LYS 22 6.101 9.510 -1.200
152 HZ2 LYS 22 HZ2 LYS 22 4.552 9.605 -1.857
153 HZ3 LYS 22 HZ3 LYS 22 5.480 8.221 -2.051
154 H ARG 23 H ARG 23 -0.103 5.987 1.004
155 HA ARG 23 HA ARG 23 -2.179 4.253 0.087
156 HB2 ARG 23 HB2 ARG 23 -2.246 6.620 1.956
157 HB3 ARG 23 HB1 ARG 23 -3.616 5.583 1.626
158 HG2 ARG 23 HG2 ARG 23 -2.777 4.852 3.697
159 HG3 ARG 23 HG1 ARG 23 -2.185 3.694 2.497
160 HD2 ARG 23 HD2 ARG 23 0.002 4.563 2.615
161 HD3 ARG 23 HD1 ARG 23 -0.529 5.974 3.535
162 HE ARG 23 HE ARG 23 -1.313 3.946 5.087
163 HH11 ARG 23 HH11 ARG 23 1.882 4.651 3.687
164 HH12 ARG 23 HH12 ARG 23 2.707 3.839 4.935
165 HH21 ARG 23 HH21 ARG 23 -0.108 2.930 6.806
166 HH22 ARG 23 HH22 ARG 23 1.606 2.937 6.725
167 H LYS 24 H LYS 24 -0.849 6.932 -1.188
168 HA LYS 24 HA LYS 24 -3.325 8.173 -2.079
169 HB2 LYS 24 HB2 LYS 24 -1.477 9.642 -1.390
170 HB3 LYS 24 HB1 LYS 24 -0.421 8.886 -2.563
171 HG2 LYS 24 HG2 LYS 24 -1.167 11.079 -3.318
172 HG3 LYS 24 HG1 LYS 24 -1.739 9.805 -4.387
173 HD2 LYS 24 HD2 LYS 24 -3.496 11.458 -4.007
174 HD3 LYS 24 HD1 LYS 24 -3.952 9.910 -3.306
175 HE2 LYS 24 HE2 LYS 24 -3.321 10.709 -1.090
176 HE3 LYS 24 HE1 LYS 24 -2.779 12.237 -1.778
177 HZ1 LYS 24 HZ1 LYS 24 -5.559 11.218 -1.916
178 HZ2 LYS 24 HZ2 LYS 24 -5.020 12.757 -2.402
179 HZ3 LYS 24 HZ3 LYS 24 -5.011 12.332 -0.785
180 H MET 25 H MET 25 -0.796 6.096 -3.062
181 HA MET 25 HA MET 25 -1.849 6.040 -5.787
182 HB2 MET 25 HB2 MET 25 0.949 5.477 -4.808
183 HB3 MET 25 HB1 MET 25 0.357 5.118 -6.396
184 HG2 MET 25 HG2 MET 25 0.464 7.855 -5.164
185 HG3 MET 25 HG1 MET 25 1.566 7.216 -6.383
186 HE1 MET 25 HE1 MET 25 0.834 6.669 -8.908
187 HE2 MET 25 HE2 MET 25 -0.802 6.895 -9.522
188 HE3 MET 25 HE3 MET 25 -0.473 5.623 -8.347
189 H LYS 26 H LYS 26 -1.651 4.321 -2.963
190 HA LYS 26 HA LYS 26 -2.148 2.270 -2.270
191 HB2 LYS 26 HB2 LYS 26 -3.242 1.784 -5.045
192 HB3 LYS 26 HB1 LYS 26 -3.538 0.793 -3.635
193 HG2 LYS 26 HG2 LYS 26 -4.472 3.614 -4.080
194 HG3 LYS 26 HG1 LYS 26 -5.458 2.159 -3.901
195 HD2 LYS 26 HD2 LYS 26 -4.555 1.910 -1.596
196 HD3 LYS 26 HD1 LYS 26 -3.698 3.429 -1.833
197 HE2 LYS 26 HE2 LYS 26 -5.765 3.851 -0.596
198 HE3 LYS 26 HE1 LYS 26 -5.848 4.578 -2.195
199 HZ1 LYS 26 HZ1 LYS 26 -7.897 3.418 -1.570
200 HZ2 LYS 26 HZ2 LYS 26 -7.048 1.961 -1.490
201 HZ3 LYS 26 HZ3 LYS 26 -7.200 2.770 -2.955
202 H TYR 27 H TYR 27 0.303 2.854 -3.309
203 HA TYR 27 HA TYR 27 1.227 0.155 -3.551
204 HB2 TYR 27 HB2 TYR 27 2.714 0.436 -5.460
205 HB3 TYR 27 HB1 TYR 27 1.046 0.605 -5.924
206 HD1 TYR 27 HD1 TYR 27 3.792 2.913 -4.765
207 HD2 TYR 27 HD2 TYR 27 0.765 2.136 -7.635
208 HE1 TYR 27 HE1 TYR 27 4.454 4.920 -5.973
209 HE2 TYR 27 HE2 TYR 27 1.410 4.170 -8.862
210 HH TYR 27 HH TYR 27 4.300 5.792 -8.290
211 H CYS 28 H CYS 28 3.488 -0.085 -3.420
212 HA CYS 28 HA CYS 28 4.478 1.499 -1.261
213 HB2 CYS 28 HB2 CYS 28 5.882 -0.660 -2.834
214 HB3 CYS 28 HB1 CYS 28 6.322 -0.054 -1.243
215 H ALA 29 H ALA 29 5.954 3.042 -1.291
216 HA ALA 29 HA ALA 29 7.414 3.630 -3.762
217 HB1 ALA 29 HB1 ALA 29 7.248 6.022 -3.193
218 HB2 ALA 29 HB2 ALA 29 6.254 5.618 -1.794
219 HB3 ALA 29 HB3 ALA 29 5.646 5.319 -3.423
220 H TRP 30 H TRP 30 9.310 5.367 -2.804
221 HA TRP 30 HA TRP 30 10.782 3.531 -1.222
222 HB2 TRP 30 HB2 TRP 30 11.551 6.228 -2.278
223 HB3 TRP 30 HB1 TRP 30 12.608 5.273 -1.255
224 HD1 TRP 30 HD TRP 30 11.674 5.741 -4.765
225 HE1 TRP 30 HE1 TRP 30 12.754 3.862 -6.213
226 HE3 TRP 30 HE3 TRP 30 13.040 2.759 -1.087
227 HZ2 TRP 30 HZ2 TRP 30 14.043 1.363 -5.742
228 HZ3 TRP 30 HZ3 TRP 30 14.220 0.578 -1.552
229 HH2 TRP 30 HH TRP 30 14.695 -0.080 -3.848
230 H ASP 31 H ASP 31 8.568 5.648 -0.174
231 HA ASP 31 HA ASP 31 9.349 5.299 2.459
232 HB2 ASP 31 HB2 ASP 31 9.612 7.590 3.145
233 HB3 ASP 31 HB1 ASP 31 10.752 7.318 1.835
234 H PHE 32 H PHE 32 7.731 6.204 3.738
235 HA PHE 32 HA PHE 32 5.110 6.048 2.391
236 HB2 PHE 32 HB2 PHE 32 4.194 5.567 4.693
237 HB3 PHE 32 HB1 PHE 32 5.223 4.333 3.999
238 HD1 PHE 32 HD1 PHE 32 6.941 3.450 5.285
239 HD2 PHE 32 HD2 PHE 32 5.354 7.259 6.333
240 HE1 PHE 32 HE1 PHE 32 8.295 3.451 7.338
241 HE2 PHE 32 HE2 PHE 32 6.709 7.259 8.386
242 HZ PHE 32 HZ PHE 32 8.179 5.353 8.888
243 H THR 33 H THR 33 7.043 8.449 3.400
244 HA THR 33 HA THR 33 5.137 9.876 4.985
245 HB THR 33 HB THR 33 7.856 10.700 3.982
246 HG1 THR 33 HG1 THR 33 6.929 9.394 6.325
247 HG21 THR 33 HG21 THR 33 6.175 11.797 6.253
248 HG22 THR 33 HG22 THR 33 6.428 12.599 4.702
249 HG23 THR 33 HG23 THR 33 7.787 12.357 5.804
250 H PHE 34 H PHE 34 3.519 10.179 3.590
251 HA PHE 34 HA PHE 34 3.882 11.570 1.090
252 HB2 PHE 34 HB2 PHE 34 2.111 9.894 1.282
253 HB3 PHE 34 HB1 PHE 34 1.360 10.806 2.585
254 HD1 PHE 34 HD1 PHE 34 -0.272 12.384 2.100
255 HD2 PHE 34 HD2 PHE 34 2.328 11.052 -0.980
256 HE1 PHE 34 HE1 PHE 34 -1.593 13.632 0.460
257 HE2 PHE 34 HE2 PHE 34 1.009 12.302 -2.641
258 HZ PHE 34 HZ PHE 34 -0.957 13.596 -1.917
259 H THR 35 H THR 35 4.288 13.650 1.102
260 HA THR 35 HA THR 35 3.518 15.295 3.345
261 HB THR 35 HB THR 35 4.818 17.037 2.068
262 HG1 THR 35 HG1 THR 35 5.102 16.548 0.042
263 HG21 THR 35 HG21 THR 35 6.211 14.415 2.651
264 HG22 THR 35 HG22 THR 35 5.880 15.690 3.825
265 HG23 THR 35 HG23 THR 35 7.010 15.978 2.501
Start of MODEL 10
1 H1 ASP 1 HT1 ASP 1 5.748 -12.255 2.644
2 H2 ASP 1 HT2 ASP 1 7.115 -11.751 3.471
3 H3 ASP 1 HT3 ASP 1 7.146 -13.213 2.635
4 HA ASP 1 HA ASP 1 8.324 -11.439 1.453
5 HB2 ASP 1 HB2 ASP 1 5.721 -12.253 0.143
6 HB3 ASP 1 HB1 ASP 1 7.119 -11.592 -0.697
7 H CYS 2 H CYS 2 8.193 -9.393 0.365
8 HA CYS 2 HA CYS 2 5.935 -7.762 1.214
9 HB2 CYS 2 HB2 CYS 2 7.607 -5.991 1.297
10 HB3 CYS 2 HB1 CYS 2 7.727 -7.153 2.614
11 H ARG 3 H ARG 3 5.880 -5.818 -0.028
12 HA ARG 3 HA ARG 3 6.348 -6.390 -2.850
13 HB2 ARG 3 HB2 ARG 3 4.522 -4.506 -1.420
14 HB3 ARG 3 HB1 ARG 3 4.913 -4.232 -3.103
15 HG2 ARG 3 HG2 ARG 3 2.847 -5.384 -3.084
16 HG3 ARG 3 HG1 ARG 3 4.048 -6.599 -3.518
17 HD2 ARG 3 HD2 ARG 3 4.119 -7.287 -1.157
18 HD3 ARG 3 HD1 ARG 3 2.830 -6.115 -0.841
19 HE ARG 3 HE ARG 3 2.103 -7.895 -2.911
20 HH11 ARG 3 HH11 ARG 3 2.355 -7.718 0.635
21 HH12 ARG 3 HH12 ARG 3 1.218 -8.945 0.893
22 HH21 ARG 3 HH21 ARG 3 0.515 -9.601 -2.496
23 HH22 ARG 3 HH22 ARG 3 0.151 -10.023 -0.891
24 H TYR 4 H TYR 4 7.718 -5.215 -4.069
25 HA TYR 4 HA TYR 4 9.286 -3.282 -2.741
26 HB2 TYR 4 HB2 TYR 4 9.366 -4.573 -5.447
27 HB3 TYR 4 HB1 TYR 4 10.448 -3.304 -4.957
28 HD1 TYR 4 HD1 TYR 4 11.897 -3.677 -2.839
29 HD2 TYR 4 HD2 TYR 4 9.880 -6.822 -4.894
30 HE1 TYR 4 HE1 TYR 4 13.410 -5.278 -1.837
31 HE2 TYR 4 HE2 TYR 4 11.404 -8.455 -3.864
32 HH TYR 4 HH TYR 4 13.586 -8.526 -2.907
33 H MET 5 H MET 5 9.817 -1.628 -4.967
34 HA MET 5 HA MET 5 7.796 0.325 -4.535
35 HB2 MET 5 HB2 MET 5 10.301 0.646 -5.319
36 HB3 MET 5 HB1 MET 5 9.627 0.381 -6.913
37 HG2 MET 5 HG2 MET 5 8.109 2.261 -6.572
38 HG3 MET 5 HG1 MET 5 8.844 2.543 -4.994
39 HE1 MET 5 HE1 MET 5 9.666 4.922 -5.318
40 HE2 MET 5 HE2 MET 5 8.670 4.935 -6.781
41 HE3 MET 5 HE3 MET 5 10.328 5.560 -6.821
42 H PHE 6 H PHE 6 6.058 0.839 -5.558
43 HA PHE 6 HA PHE 6 4.304 0.845 -6.925
44 HB2 PHE 6 HB2 PHE 6 6.053 -0.570 -8.959
45 HB3 PHE 6 HB1 PHE 6 4.451 0.079 -9.289
46 HD1 PHE 6 HD1 PHE 6 7.950 0.806 -8.907
47 HD2 PHE 6 HD2 PHE 6 4.085 2.544 -9.175
48 HE1 PHE 6 HE1 PHE 6 8.975 2.959 -9.361
49 HE2 PHE 6 HE2 PHE 6 5.100 4.734 -9.654
50 HZ PHE 6 HZ PHE 6 7.551 4.952 -9.754
51 H GLY 7 H GLY 7 5.407 -1.726 -5.387
52 HA2 GLY 7 HA2 GLY 7 3.530 -3.683 -6.351
53 HA3 GLY 7 HA1 GLY 7 4.475 -3.794 -4.874
54 H ASP 8 H ASP 8 1.819 -4.480 -4.893
55 HA ASP 8 HA ASP 8 0.104 -2.281 -4.251
56 HB2 ASP 8 HB2 ASP 8 -0.766 -4.122 -5.278
57 HB3 ASP 8 HB1 ASP 8 -0.227 -5.247 -4.014
58 H CYS 9 H CYS 9 -0.648 -1.613 -2.332
59 HA CYS 9 HA CYS 9 0.171 -3.051 0.042
60 HB2 CYS 9 HB2 CYS 9 1.435 -1.269 0.985
61 HB3 CYS 9 HB1 CYS 9 1.962 -1.606 -0.681
62 H GLU 10 H GLU 10 -0.895 -2.449 1.879
63 HA GLU 10 HA GLU 10 -3.108 -0.533 1.663
64 HB2 GLU 10 HB2 GLU 10 -2.815 -3.183 3.037
65 HB3 GLU 10 HB1 GLU 10 -3.930 -1.983 3.670
66 HG2 GLU 10 HG2 GLU 10 -4.002 -2.929 0.834
67 HG3 GLU 10 HG1 GLU 10 -4.909 -3.715 2.128
68 H LYS 11 H LYS 11 -0.532 -1.954 3.550
69 HA LYS 11 HA LYS 11 -0.343 0.428 5.201
70 HB2 LYS 11 HB2 LYS 11 0.314 -1.152 7.045
71 HB3 LYS 11 HB1 LYS 11 -1.382 -1.220 6.609
72 HG2 LYS 11 HG2 LYS 11 -0.767 -3.205 5.145
73 HG3 LYS 11 HG1 LYS 11 0.804 -3.174 5.938
74 HD2 LYS 11 HD2 LYS 11 -0.249 -3.544 8.087
75 HD3 LYS 11 HD1 LYS 11 -1.847 -3.470 7.340
76 HE2 LYS 11 HE2 LYS 11 0.288 -5.544 6.833
77 HE3 LYS 11 HE1 LYS 11 -1.227 -5.782 7.695
78 HZ1 LYS 11 HZ1 LYS 11 -0.879 -5.281 4.770
79 HZ2 LYS 11 HZ2 LYS 11 -2.359 -5.168 5.557
80 HZ3 LYS 11 HZ3 LYS 11 -1.548 -6.627 5.540
81 H ASP 12 H ASP 12 1.916 0.143 6.336
82 HA ASP 12 HA ASP 12 3.784 0.122 4.125
83 HB2 ASP 12 HB2 ASP 12 4.387 0.442 7.071
84 HB3 ASP 12 HB1 ASP 12 5.510 0.744 5.753
85 H GLU 13 H GLU 13 2.681 -2.078 6.335
86 HA GLU 13 HA GLU 13 4.934 -3.766 6.702
87 HB2 GLU 13 HB2 GLU 13 2.524 -3.624 7.834
88 HB3 GLU 13 HB1 GLU 13 2.237 -4.869 6.618
89 HG2 GLU 13 HG2 GLU 13 2.860 -5.878 8.749
90 HG3 GLU 13 HG1 GLU 13 4.062 -6.205 7.496
91 H ASP 14 H ASP 14 2.636 -3.318 4.164
92 HA ASP 14 HA ASP 14 2.943 -5.940 3.071
93 HB2 ASP 14 HB2 ASP 14 1.823 -3.497 1.662
94 HB3 ASP 14 HB1 ASP 14 1.630 -5.199 1.246
95 H CYS 15 H CYS 15 4.497 -2.932 2.875
96 HA CYS 15 HA CYS 15 5.996 -3.564 0.479
97 HB2 CYS 15 HB2 CYS 15 6.259 -1.220 2.337
98 HB3 CYS 15 HB1 CYS 15 6.882 -1.368 0.706
99 H CYS 16 H CYS 16 8.284 -3.557 0.551
100 HA CYS 16 HA CYS 16 9.455 -4.971 2.643
101 HB2 CYS 16 HB2 CYS 16 10.763 -3.433 0.419
102 HB3 CYS 16 HB1 CYS 16 11.526 -4.640 1.369
103 H LYS 17 H LYS 17 11.780 -4.044 3.288
104 HA LYS 17 HA LYS 17 11.262 -2.525 5.578
105 HB2 LYS 17 HB2 LYS 17 13.891 -2.987 4.192
106 HB3 LYS 17 HB1 LYS 17 13.704 -2.331 5.806
107 HG2 LYS 17 HG2 LYS 17 12.563 -4.323 6.446
108 HG3 LYS 17 HG1 LYS 17 12.882 -5.046 4.873
109 HD2 LYS 17 HD2 LYS 17 15.303 -4.804 5.217
110 HD3 LYS 17 HD1 LYS 17 15.013 -4.061 6.787
111 HE2 LYS 17 HE2 LYS 17 14.197 -6.869 6.046
112 HE3 LYS 17 HE1 LYS 17 15.679 -6.451 6.899
113 HZ1 LYS 17 HZ1 LYS 17 13.943 -7.152 8.406
114 HZ2 LYS 17 HZ2 LYS 17 12.918 -5.926 7.891
115 HZ3 LYS 17 HZ3 LYS 17 14.342 -5.550 8.708
116 H HIS 18 H HIS 18 13.144 -1.662 2.891
117 HA HIS 18 HA HIS 18 13.425 1.113 3.662
118 HB2 HIS 18 HB2 HIS 18 14.325 -0.290 1.142
119 HB3 HIS 18 HB1 HIS 18 14.798 1.332 1.625
120 HD1 HIS 18 HD1 HIS 18 15.695 -2.215 2.083
121 HD2 HIS 18 HD2 HIS 18 16.460 1.405 3.968
122 HE1 HIS 18 HE1 HIS 18 17.641 -2.627 3.627
123 H LEU 19 H LEU 19 10.697 0.055 2.845
124 HA LEU 19 HA LEU 19 10.104 2.117 0.844
125 HB2 LEU 19 HB2 LEU 19 8.988 -0.683 0.963
126 HB3 LEU 19 HB1 LEU 19 8.452 0.579 -0.122
127 HG LEU 19 HG LEU 19 11.277 -0.480 -0.171
128 HD11 LEU 19 HD11 LEU 19 10.623 -1.835 -1.995
129 HD12 LEU 19 HD12 LEU 19 8.970 -1.236 -1.904
130 HD13 LEU 19 HD13 LEU 19 9.600 -2.266 -0.613
131 HD21 LEU 19 HD21 LEU 19 9.603 1.034 -2.153
132 HD22 LEU 19 HD22 LEU 19 11.238 0.422 -2.411
133 HD23 LEU 19 HD23 LEU 19 10.953 1.672 -1.204
134 H GLY 20 H GLY 20 7.948 2.830 0.928
135 HA2 GLY 20 HA2 GLY 20 6.474 2.237 3.388
136 HA3 GLY 20 HA1 GLY 20 6.807 3.912 2.935
137 H CYS 21 H CYS 21 4.227 2.693 3.152
138 HA CYS 21 HA CYS 21 3.402 2.156 0.416
139 HB2 CYS 21 HB2 CYS 21 2.522 0.717 2.153
140 HB3 CYS 21 HB1 CYS 21 1.901 2.102 3.036
141 H LYS 22 H LYS 22 2.686 3.731 -0.909
142 HA LYS 22 HA LYS 22 1.796 6.194 0.279
143 HB2 LYS 22 HB2 LYS 22 2.334 5.390 -2.544
144 HB3 LYS 22 HB1 LYS 22 1.336 6.794 -2.194
145 HG2 LYS 22 HG2 LYS 22 4.092 6.287 -1.300
146 HG3 LYS 22 HG1 LYS 22 3.653 7.439 -2.579
147 HD2 LYS 22 HD2 LYS 22 2.151 8.455 -0.680
148 HD3 LYS 22 HD1 LYS 22 3.200 7.581 0.402
149 HE2 LYS 22 HE2 LYS 22 4.041 9.686 -1.588
150 HE3 LYS 22 HE1 LYS 22 3.996 9.853 0.166
151 HZ1 LYS 22 HZ1 LYS 22 5.790 8.113 0.251
152 HZ2 LYS 22 HZ2 LYS 22 6.232 9.508 -0.538
153 HZ3 LYS 22 HZ3 LYS 22 5.850 8.163 -1.435
154 H ARG 23 H ARG 23 -0.016 6.329 0.992
155 HA ARG 23 HA ARG 23 -2.127 4.526 0.440
156 HB2 ARG 23 HB2 ARG 23 -1.938 7.040 2.054
157 HB3 ARG 23 HB1 ARG 23 -3.464 6.222 1.812
158 HG2 ARG 23 HG2 ARG 23 -2.571 5.632 3.930
159 HG3 ARG 23 HG1 ARG 23 -2.507 4.216 2.865
160 HD2 ARG 23 HD2 ARG 23 -0.113 4.587 2.582
161 HD3 ARG 23 HD1 ARG 23 -0.208 6.020 3.612
162 HE ARG 23 HE ARG 23 -1.316 3.950 5.047
163 HH11 ARG 23 HH11 ARG 23 1.875 4.617 3.694
164 HH12 ARG 23 HH12 ARG 23 2.719 3.763 4.906
165 HH21 ARG 23 HH21 ARG 23 -0.133 2.824 6.736
166 HH22 ARG 23 HH22 ARG 23 1.586 2.812 6.667
167 H LYS 24 H LYS 24 -1.036 6.995 -1.376
168 HA LYS 24 HA LYS 24 -3.654 8.126 -2.020
169 HB2 LYS 24 HB2 LYS 24 -0.945 8.717 -3.233
170 HB3 LYS 24 HB1 LYS 24 -2.419 9.637 -3.481
171 HG2 LYS 24 HG2 LYS 24 -0.968 9.349 -0.860
172 HG3 LYS 24 HG1 LYS 24 -0.859 10.738 -1.939
173 HD2 LYS 24 HD2 LYS 24 -3.235 11.181 -1.629
174 HD3 LYS 24 HD1 LYS 24 -3.381 9.752 -0.604
175 HE2 LYS 24 HE2 LYS 24 -3.220 11.791 0.739
176 HE3 LYS 24 HE1 LYS 24 -1.843 10.727 1.005
177 HZ1 LYS 24 HZ1 LYS 24 -0.522 12.144 -0.456
178 HZ2 LYS 24 HZ2 LYS 24 -1.178 13.041 0.796
179 HZ3 LYS 24 HZ3 LYS 24 -1.853 13.138 -0.731
180 H MET 25 H MET 25 -1.094 6.131 -3.259
181 HA MET 25 HA MET 25 -2.702 5.630 -5.639
182 HB2 MET 25 HB2 MET 25 0.226 5.684 -5.168
183 HB3 MET 25 HB1 MET 25 -0.470 4.943 -6.587
184 HG2 MET 25 HG2 MET 25 -0.798 7.831 -5.759
185 HG3 MET 25 HG1 MET 25 0.300 7.248 -7.006
186 HE1 MET 25 HE1 MET 25 -2.167 6.000 -9.775
187 HE2 MET 25 HE2 MET 25 -1.450 5.029 -8.493
188 HE3 MET 25 HE3 MET 25 -0.479 6.243 -9.327
189 H LYS 26 H LYS 26 -1.828 4.337 -2.793
190 HA LYS 26 HA LYS 26 -1.614 2.381 -1.850
191 HB2 LYS 26 HB2 LYS 26 -3.627 1.669 -3.961
192 HB3 LYS 26 HB1 LYS 26 -3.097 0.515 -2.748
193 HG2 LYS 26 HG2 LYS 26 -4.432 3.167 -2.194
194 HG3 LYS 26 HG1 LYS 26 -5.177 1.572 -2.050
195 HD2 LYS 26 HD2 LYS 26 -3.465 0.978 -0.342
196 HD3 LYS 26 HD1 LYS 26 -2.837 2.616 -0.446
197 HE2 LYS 26 HE2 LYS 26 -4.280 2.413 1.485
198 HE3 LYS 26 HE1 LYS 26 -5.008 3.490 0.297
199 HZ1 LYS 26 HZ1 LYS 26 -6.510 1.725 -0.362
200 HZ2 LYS 26 HZ2 LYS 26 -6.589 1.903 1.301
201 HZ3 LYS 26 HZ3 LYS 26 -5.729 0.621 0.638
202 H TYR 27 H TYR 27 0.490 2.885 -3.073
203 HA TYR 27 HA TYR 27 1.415 0.210 -3.587
204 HB2 TYR 27 HB2 TYR 27 2.794 0.635 -5.530
205 HB3 TYR 27 HB1 TYR 27 1.125 0.941 -5.917
206 HD1 TYR 27 HD1 TYR 27 0.707 2.848 -7.209
207 HD2 TYR 27 HD2 TYR 27 4.187 2.786 -4.785
208 HE1 TYR 27 HE1 TYR 27 1.408 5.022 -8.142
209 HE2 TYR 27 HE2 TYR 27 4.889 4.940 -5.691
210 HH TYR 27 HH TYR 27 4.526 6.309 -7.599
211 H CYS 28 H CYS 28 3.727 0.027 -3.624
212 HA CYS 28 HA CYS 28 4.686 1.422 -1.310
213 HB2 CYS 28 HB2 CYS 28 6.003 -0.704 -2.984
214 HB3 CYS 28 HB1 CYS 28 6.534 -0.153 -1.396
215 H ALA 29 H ALA 29 5.972 3.051 -1.269
216 HA ALA 29 HA ALA 29 7.535 3.804 -3.636
217 HB1 ALA 29 HB1 ALA 29 5.717 5.404 -3.206
218 HB2 ALA 29 HB2 ALA 29 7.282 6.130 -2.843
219 HB3 ALA 29 HB3 ALA 29 6.250 5.563 -1.532
220 H TRP 30 H TRP 30 9.314 5.536 -2.471
221 HA TRP 30 HA TRP 30 10.767 3.660 -0.943
222 HB2 TRP 30 HB2 TRP 30 11.545 6.407 -1.874
223 HB3 TRP 30 HB1 TRP 30 12.586 5.412 -0.869
224 HD1 TRP 30 HD TRP 30 11.704 5.976 -4.416
225 HE1 TRP 30 HE1 TRP 30 12.802 4.156 -5.886
226 HE3 TRP 30 HE3 TRP 30 13.074 2.918 -0.804
227 HZ2 TRP 30 HZ2 TRP 30 14.099 1.662 -5.483
228 HZ3 TRP 30 HZ3 TRP 30 14.273 0.768 -1.324
229 HH2 TRP 30 HH TRP 30 14.760 0.182 -3.633
230 H ASP 31 H ASP 31 8.543 5.858 0.028
231 HA ASP 31 HA ASP 31 8.910 5.183 2.660
232 HB2 ASP 31 HB2 ASP 31 9.484 7.284 3.696
233 HB3 ASP 31 HB1 ASP 31 10.711 6.929 2.487
234 H PHE 32 H PHE 32 7.165 5.847 3.790
235 HA PHE 32 HA PHE 32 4.933 6.598 2.149
236 HB2 PHE 32 HB2 PHE 32 3.486 6.467 4.186
237 HB3 PHE 32 HB1 PHE 32 4.405 5.008 3.906
238 HD1 PHE 32 HD1 PHE 32 6.231 4.409 5.424
239 HD2 PHE 32 HD2 PHE 32 3.774 7.790 6.158
240 HE1 PHE 32 HE1 PHE 32 6.988 4.442 7.758
241 HE2 PHE 32 HE2 PHE 32 4.534 7.838 8.499
242 HZ PHE 32 HZ PHE 32 6.140 6.162 9.299
243 H THR 33 H THR 33 6.381 8.119 4.981
244 HA THR 33 HA THR 33 6.378 10.670 3.746
245 HB THR 33 HB THR 33 4.628 10.330 6.206
246 HG1 THR 33 HG1 THR 33 4.054 10.079 3.569
247 HG21 THR 33 HG21 THR 33 5.715 12.527 6.028
248 HG22 THR 33 HG22 THR 33 3.973 12.667 5.799
249 HG23 THR 33 HG23 THR 33 5.047 12.730 4.406
250 H PHE 34 H PHE 34 8.550 10.144 4.237
251 HA PHE 34 HA PHE 34 9.309 10.170 7.064
252 HB2 PHE 34 HB2 PHE 34 10.382 8.513 5.558
253 HB3 PHE 34 HB1 PHE 34 11.051 9.832 4.615
254 HD1 PHE 34 HD1 PHE 34 11.111 8.248 7.964
255 HD2 PHE 34 HD2 PHE 34 13.076 10.853 5.238
256 HE1 PHE 34 HE1 PHE 34 13.095 8.257 9.411
257 HE2 PHE 34 HE2 PHE 34 15.066 10.873 6.683
258 HZ PHE 34 HZ PHE 34 15.077 9.571 8.773
259 H THR 35 H THR 35 9.556 12.039 7.990
260 HA THR 35 HA THR 35 10.383 14.342 6.389
261 HB THR 35 HB THR 35 9.275 14.296 9.200
262 HG1 THR 35 HG1 THR 35 8.094 14.172 6.673
263 HG21 THR 35 HG21 THR 35 10.479 16.358 8.555
264 HG22 THR 35 HG22 THR 35 8.749 16.651 8.738
265 HG23 THR 35 HG23 THR 35 9.452 16.502 7.128
Start of MODEL 11
1 H1 ASP 1 HT1 ASP 1 4.049 -11.714 0.957
2 H2 ASP 1 HT2 ASP 1 4.876 -11.511 2.395
3 H3 ASP 1 HT3 ASP 1 4.987 -12.981 1.596
4 HA ASP 1 HA ASP 1 6.988 -11.668 1.287
5 HB2 ASP 1 HB2 ASP 1 5.239 -11.774 -1.181
6 HB3 ASP 1 HB1 ASP 1 6.954 -11.402 -1.212
7 H CYS 2 H CYS 2 7.780 -9.578 1.432
8 HA CYS 2 HA CYS 2 5.876 -7.532 1.335
9 HB2 CYS 2 HB2 CYS 2 7.744 -6.020 1.516
10 HB3 CYS 2 HB1 CYS 2 7.673 -7.135 2.841
11 H ARG 3 H ARG 3 5.873 -5.830 0.093
12 HA ARG 3 HA ARG 3 6.268 -6.470 -2.731
13 HB2 ARG 3 HB2 ARG 3 4.763 -4.148 -1.529
14 HB3 ARG 3 HB1 ARG 3 4.663 -4.736 -3.184
15 HG2 ARG 3 HG2 ARG 3 3.653 -6.099 -0.693
16 HG3 ARG 3 HG1 ARG 3 2.686 -5.365 -1.968
17 HD2 ARG 3 HD2 ARG 3 3.508 -7.039 -3.547
18 HD3 ARG 3 HD1 ARG 3 4.486 -7.768 -2.269
19 HE ARG 3 HE ARG 3 1.669 -7.536 -1.707
20 HH11 ARG 3 HH11 ARG 3 4.201 -9.653 -3.004
21 HH12 ARG 3 HH12 ARG 3 3.296 -11.080 -2.788
22 HH21 ARG 3 HH21 ARG 3 0.435 -9.528 -1.423
23 HH22 ARG 3 HH22 ARG 3 1.147 -11.007 -1.861
24 H TYR 4 H TYR 4 7.519 -5.170 -4.068
25 HA TYR 4 HA TYR 4 9.236 -3.350 -2.731
26 HB2 TYR 4 HB2 TYR 4 9.199 -4.618 -5.451
27 HB3 TYR 4 HB1 TYR 4 10.357 -3.413 -4.948
28 HD1 TYR 4 HD1 TYR 4 11.616 -3.966 -2.639
29 HD2 TYR 4 HD2 TYR 4 9.799 -6.871 -5.179
30 HE1 TYR 4 HE1 TYR 4 13.042 -5.669 -1.684
31 HE2 TYR 4 HE2 TYR 4 11.237 -8.607 -4.198
32 HH TYR 4 HH TYR 4 13.272 -8.804 -3.068
33 H MET 5 H MET 5 9.739 -1.710 -4.998
34 HA MET 5 HA MET 5 7.705 0.236 -4.527
35 HB2 MET 5 HB2 MET 5 10.230 0.550 -5.271
36 HB3 MET 5 HB1 MET 5 9.557 0.353 -6.876
37 HG2 MET 5 HG2 MET 5 8.051 2.229 -6.458
38 HG3 MET 5 HG1 MET 5 8.791 2.433 -4.870
39 HE1 MET 5 HE1 MET 5 9.670 4.787 -5.039
40 HE2 MET 5 HE2 MET 5 8.633 4.903 -6.470
41 HE3 MET 5 HE3 MET 5 10.297 5.515 -6.515
42 H PHE 6 H PHE 6 6.030 0.834 -5.651
43 HA PHE 6 HA PHE 6 4.328 0.869 -7.088
44 HB2 PHE 6 HB2 PHE 6 6.152 -0.619 -8.995
45 HB3 PHE 6 HB1 PHE 6 4.567 0.009 -9.433
46 HD1 PHE 6 HD1 PHE 6 8.033 0.781 -8.836
47 HD2 PHE 6 HD2 PHE 6 4.187 2.463 -9.468
48 HE1 PHE 6 HE1 PHE 6 9.070 2.924 -9.309
49 HE2 PHE 6 HE2 PHE 6 5.214 4.635 -9.962
50 HZ PHE 6 HZ PHE 6 7.657 4.880 -9.887
51 H GLY 7 H GLY 7 5.275 -1.648 -5.441
52 HA2 GLY 7 HA2 GLY 7 3.365 -3.568 -6.441
53 HA3 GLY 7 HA1 GLY 7 4.358 -3.720 -4.990
54 H ASP 8 H ASP 8 1.505 -4.132 -5.362
55 HA ASP 8 HA ASP 8 -0.042 -1.974 -4.325
56 HB2 ASP 8 HB2 ASP 8 -1.057 -3.550 -5.606
57 HB3 ASP 8 HB1 ASP 8 -0.542 -4.901 -4.582
58 H CYS 9 H CYS 9 -0.776 -1.533 -2.354
59 HA CYS 9 HA CYS 9 -0.139 -3.249 -0.134
60 HB2 CYS 9 HB2 CYS 9 1.369 -1.698 0.953
61 HB3 CYS 9 HB1 CYS 9 1.890 -2.111 -0.701
62 H GLU 10 H GLU 10 -1.158 -2.549 1.825
63 HA GLU 10 HA GLU 10 -2.947 -0.220 1.626
64 HB2 GLU 10 HB2 GLU 10 -3.128 -2.773 3.199
65 HB3 GLU 10 HB1 GLU 10 -3.881 -1.314 3.793
66 HG2 GLU 10 HG2 GLU 10 -5.466 -2.740 2.678
67 HG3 GLU 10 HG1 GLU 10 -5.278 -1.203 1.836
68 H LYS 11 H LYS 11 -0.469 -1.950 3.442
69 HA LYS 11 HA LYS 11 -0.164 0.357 5.177
70 HB2 LYS 11 HB2 LYS 11 0.457 -1.260 6.955
71 HB3 LYS 11 HB1 LYS 11 -1.224 -1.353 6.489
72 HG2 LYS 11 HG2 LYS 11 -0.662 -3.342 5.102
73 HG3 LYS 11 HG1 LYS 11 0.994 -3.238 5.690
74 HD2 LYS 11 HD2 LYS 11 0.174 -3.543 7.989
75 HD3 LYS 11 HD1 LYS 11 -1.472 -3.667 7.380
76 HE2 LYS 11 HE2 LYS 11 0.816 -5.562 6.791
77 HE3 LYS 11 HE1 LYS 11 -0.560 -5.879 7.830
78 HZ1 LYS 11 HZ1 LYS 11 -0.904 -6.942 5.776
79 HZ2 LYS 11 HZ2 LYS 11 -0.534 -5.610 4.869
80 HZ3 LYS 11 HZ3 LYS 11 -1.980 -5.632 5.767
81 H ASP 12 H ASP 12 2.043 0.121 6.237
82 HA ASP 12 HA ASP 12 3.941 0.152 4.064
83 HB2 ASP 12 HB2 ASP 12 4.456 0.478 7.031
84 HB3 ASP 12 HB1 ASP 12 5.626 0.781 5.752
85 H GLU 13 H GLU 13 2.830 -2.067 6.238
86 HA GLU 13 HA GLU 13 5.174 -3.691 6.569
87 HB2 GLU 13 HB2 GLU 13 2.300 -4.293 6.864
88 HB3 GLU 13 HB1 GLU 13 3.572 -5.413 7.288
89 HG2 GLU 13 HG2 GLU 13 4.445 -3.722 8.909
90 HG3 GLU 13 HG1 GLU 13 3.026 -2.736 8.561
91 H ASP 14 H ASP 14 2.682 -3.372 4.219
92 HA ASP 14 HA ASP 14 2.959 -5.983 3.157
93 HB2 ASP 14 HB2 ASP 14 1.906 -3.549 1.669
94 HB3 ASP 14 HB1 ASP 14 1.736 -5.261 1.292
95 H CYS 15 H CYS 15 4.520 -2.956 2.829
96 HA CYS 15 HA CYS 15 6.038 -3.660 0.464
97 HB2 CYS 15 HB2 CYS 15 6.343 -1.297 2.300
98 HB3 CYS 15 HB1 CYS 15 6.923 -1.460 0.651
99 H CYS 16 H CYS 16 8.405 -3.617 0.588
100 HA CYS 16 HA CYS 16 9.420 -4.963 2.809
101 HB2 CYS 16 HB2 CYS 16 10.840 -3.669 0.496
102 HB3 CYS 16 HB1 CYS 16 11.572 -4.756 1.601
103 H LYS 17 H LYS 17 11.759 -4.011 3.442
104 HA LYS 17 HA LYS 17 11.136 -2.432 5.670
105 HB2 LYS 17 HB2 LYS 17 13.834 -2.894 4.444
106 HB3 LYS 17 HB1 LYS 17 13.526 -2.320 6.074
107 HG2 LYS 17 HG2 LYS 17 12.652 -4.960 4.983
108 HG3 LYS 17 HG1 LYS 17 14.130 -4.675 5.907
109 HD2 LYS 17 HD2 LYS 17 12.743 -3.901 7.804
110 HD3 LYS 17 HD1 LYS 17 11.290 -4.216 6.854
111 HE2 LYS 17 HE2 LYS 17 11.718 -6.047 8.400
112 HE3 LYS 17 HE1 LYS 17 11.886 -6.579 6.725
113 HZ1 LYS 17 HZ1 LYS 17 14.282 -6.448 6.956
114 HZ2 LYS 17 HZ2 LYS 17 13.658 -7.422 8.172
115 HZ3 LYS 17 HZ3 LYS 17 14.130 -5.852 8.518
116 H HIS 18 H HIS 18 13.106 -1.538 2.997
117 HA HIS 18 HA HIS 18 13.357 1.216 3.892
118 HB2 HIS 18 HB2 HIS 18 14.405 -0.047 1.350
119 HB3 HIS 18 HB1 HIS 18 14.889 1.506 2.012
120 HD1 HIS 18 HD1 HIS 18 16.414 -1.506 1.623
121 HD2 HIS 18 HD2 HIS 18 15.598 0.719 5.027
122 HE1 HIS 18 HE1 HIS 18 18.024 -2.303 3.375
123 H LEU 19 H LEU 19 10.722 0.141 2.879
124 HA LEU 19 HA LEU 19 10.244 2.207 0.842
125 HB2 LEU 19 HB2 LEU 19 8.998 -0.544 1.058
126 HB3 LEU 19 HB1 LEU 19 8.573 0.678 -0.120
127 HG LEU 19 HG LEU 19 11.338 -0.538 0.011
128 HD11 LEU 19 HD11 LEU 19 10.691 -1.913 -1.818
129 HD12 LEU 19 HD12 LEU 19 9.033 -1.314 -1.730
130 HD13 LEU 19 HD13 LEU 19 9.694 -2.296 -0.408
131 HD21 LEU 19 HD21 LEU 19 11.431 0.203 -2.296
132 HD22 LEU 19 HD22 LEU 19 11.232 1.539 -1.169
133 HD23 LEU 19 HD23 LEU 19 9.850 0.965 -2.121
134 H GLY 20 H GLY 20 7.945 2.748 0.785
135 HA2 GLY 20 HA2 GLY 20 6.574 2.456 3.343
136 HA3 GLY 20 HA1 GLY 20 6.887 4.079 2.713
137 H CYS 21 H CYS 21 4.349 2.666 3.105
138 HA CYS 21 HA CYS 21 3.525 2.086 0.380
139 HB2 CYS 21 HB2 CYS 21 2.771 0.571 2.125
140 HB3 CYS 21 HB1 CYS 21 2.023 1.904 2.992
141 H LYS 22 H LYS 22 2.561 3.512 -0.868
142 HA LYS 22 HA LYS 22 1.672 5.928 0.400
143 HB2 LYS 22 HB2 LYS 22 2.453 5.281 -2.387
144 HB3 LYS 22 HB1 LYS 22 1.288 6.575 -2.133
145 HG2 LYS 22 HG2 LYS 22 3.978 6.410 -0.824
146 HG3 LYS 22 HG1 LYS 22 3.620 7.386 -2.261
147 HD2 LYS 22 HD2 LYS 22 1.871 8.567 -0.935
148 HD3 LYS 22 HD1 LYS 22 2.358 7.665 0.482
149 HE2 LYS 22 HE2 LYS 22 4.584 8.625 0.357
150 HE3 LYS 22 HE1 LYS 22 4.118 9.516 -1.093
151 HZ1 LYS 22 HZ1 LYS 22 2.478 10.738 0.222
152 HZ2 LYS 22 HZ2 LYS 22 3.997 10.873 0.910
153 HZ3 LYS 22 HZ3 LYS 22 2.881 9.841 1.596
154 H ARG 23 H ARG 23 -0.172 5.999 1.106
155 HA ARG 23 HA ARG 23 -2.263 4.233 0.295
156 HB2 ARG 23 HB2 ARG 23 -2.230 6.569 2.205
157 HB3 ARG 23 HB1 ARG 23 -3.673 5.638 1.873
158 HG2 ARG 23 HG2 ARG 23 -2.790 4.856 3.920
159 HG3 ARG 23 HG1 ARG 23 -2.442 3.625 2.699
160 HD2 ARG 23 HD2 ARG 23 -0.133 4.354 2.602
161 HD3 ARG 23 HD1 ARG 23 -0.488 5.676 3.715
162 HE ARG 23 HE ARG 23 -1.289 3.419 5.016
163 HH11 ARG 23 HH11 ARG 23 1.805 4.462 3.664
164 HH12 ARG 23 HH12 ARG 23 2.747 3.680 4.847
165 HH21 ARG 23 HH21 ARG 23 0.044 2.370 6.693
166 HH22 ARG 23 HH22 ARG 23 1.749 2.575 6.587
167 H LYS 24 H LYS 24 -1.096 6.926 -1.081
168 HA LYS 24 HA LYS 24 -3.600 8.157 -1.854
169 HB2 LYS 24 HB2 LYS 24 -1.604 9.535 -1.402
170 HB3 LYS 24 HB1 LYS 24 -0.727 8.682 -2.657
171 HG2 LYS 24 HG2 LYS 24 -2.350 9.555 -4.319
172 HG3 LYS 24 HG1 LYS 24 -3.098 10.503 -3.035
173 HD2 LYS 24 HD2 LYS 24 -0.209 10.722 -3.909
174 HD3 LYS 24 HD1 LYS 24 -1.496 11.807 -4.412
175 HE2 LYS 24 HE2 LYS 24 -0.577 11.392 -1.557
176 HE3 LYS 24 HE1 LYS 24 -0.116 12.736 -2.593
177 HZ1 LYS 24 HZ1 LYS 24 -2.880 12.119 -1.692
178 HZ2 LYS 24 HZ2 LYS 24 -2.444 13.396 -2.700
179 HZ3 LYS 24 HZ3 LYS 24 -1.898 13.354 -1.118
180 H MET 25 H MET 25 -1.063 6.108 -3.003
181 HA MET 25 HA MET 25 -2.377 5.915 -5.606
182 HB2 MET 25 HB2 MET 25 0.501 5.686 -4.846
183 HB3 MET 25 HB1 MET 25 -0.131 5.196 -6.384
184 HG2 MET 25 HG2 MET 25 -0.283 7.983 -5.245
185 HG3 MET 25 HG1 MET 25 0.832 7.447 -6.502
186 HE1 MET 25 HE1 MET 25 0.050 6.748 -8.962
187 HE2 MET 25 HE2 MET 25 -1.631 6.735 -9.489
188 HE3 MET 25 HE3 MET 25 -1.077 5.563 -8.296
189 H LYS 26 H LYS 26 -1.710 4.208 -2.818
190 HA LYS 26 HA LYS 26 -1.958 2.122 -2.117
191 HB2 LYS 26 HB2 LYS 26 -3.314 1.623 -4.772
192 HB3 LYS 26 HB1 LYS 26 -3.310 0.505 -3.417
193 HG2 LYS 26 HG2 LYS 26 -4.602 3.219 -3.550
194 HG3 LYS 26 HG1 LYS 26 -5.393 1.651 -3.382
195 HD2 LYS 26 HD2 LYS 26 -3.520 2.901 -1.403
196 HD3 LYS 26 HD1 LYS 26 -5.284 2.914 -1.226
197 HE2 LYS 26 HE2 LYS 26 -3.422 0.519 -1.193
198 HE3 LYS 26 HE1 LYS 26 -4.299 1.175 0.176
199 HZ1 LYS 26 HZ1 LYS 26 -6.357 0.457 -0.820
200 HZ2 LYS 26 HZ2 LYS 26 -5.266 -0.848 -0.786
201 HZ3 LYS 26 HZ3 LYS 26 -5.558 -0.040 -2.213
202 H TYR 27 H TYR 27 0.349 2.848 -3.141
203 HA TYR 27 HA TYR 27 1.415 0.215 -3.568
204 HB2 TYR 27 HB2 TYR 27 2.802 0.571 -5.505
205 HB3 TYR 27 HB1 TYR 27 1.124 0.796 -5.913
206 HD1 TYR 27 HD1 TYR 27 4.266 2.689 -5.120
207 HD2 TYR 27 HD2 TYR 27 0.503 2.721 -7.102
208 HE1 TYR 27 HE1 TYR 27 4.905 4.741 -6.267
209 HE2 TYR 27 HE2 TYR 27 1.129 4.788 -8.242
210 HH TYR 27 HH TYR 27 4.337 6.042 -8.195
211 H CYS 28 H CYS 28 3.662 0.010 -3.540
212 HA CYS 28 HA CYS 28 4.678 1.500 -1.321
213 HB2 CYS 28 HB2 CYS 28 6.006 -0.645 -2.961
214 HB3 CYS 28 HB1 CYS 28 6.505 -0.075 -1.372
215 H ALA 29 H ALA 29 6.021 3.096 -1.354
216 HA ALA 29 HA ALA 29 7.609 3.686 -3.748
217 HB1 ALA 29 HB1 ALA 29 5.865 5.379 -3.396
218 HB2 ALA 29 HB2 ALA 29 7.454 6.068 -3.063
219 HB3 ALA 29 HB3 ALA 29 6.395 5.603 -1.727
220 H TRP 30 H TRP 30 9.505 5.377 -2.610
221 HA TRP 30 HA TRP 30 10.862 3.494 -0.914
222 HB2 TRP 30 HB2 TRP 30 11.756 6.146 -2.036
223 HB3 TRP 30 HB1 TRP 30 12.730 5.185 -0.944
224 HD1 TRP 30 HD TRP 30 11.844 5.509 -4.546
225 HE1 TRP 30 HE1 TRP 30 13.025 3.627 -5.876
226 HE3 TRP 30 HE3 TRP 30 13.354 2.787 -0.709
227 HZ2 TRP 30 HZ2 TRP 30 14.465 1.250 -5.291
228 HZ3 TRP 30 HZ3 TRP 30 14.683 0.674 -1.075
229 HH2 TRP 30 HH TRP 30 15.203 -0.049 -3.348
230 H ASP 31 H ASP 31 8.566 5.596 -0.130
231 HA ASP 31 HA ASP 31 9.048 5.650 2.555
232 HB2 ASP 31 HB2 ASP 31 10.738 7.214 2.201
233 HB3 ASP 31 HB1 ASP 31 9.810 8.138 1.022
234 H PHE 32 H PHE 32 7.331 6.589 3.540
235 HA PHE 32 HA PHE 32 4.939 6.767 1.833
236 HB2 PHE 32 HB2 PHE 32 3.668 6.277 3.903
237 HB3 PHE 32 HB1 PHE 32 4.809 5.019 3.460
238 HD1 PHE 32 HD1 PHE 32 4.305 7.902 5.795
239 HD2 PHE 32 HD2 PHE 32 6.449 4.304 4.982
240 HE1 PHE 32 HE1 PHE 32 5.220 7.922 8.066
241 HE2 PHE 32 HE2 PHE 32 7.379 4.351 7.252
242 HZ PHE 32 HZ PHE 32 6.765 6.152 8.796
243 H THR 33 H THR 33 6.995 8.896 3.270
244 HA THR 33 HA THR 33 6.923 11.038 3.850
245 HB THR 33 HB THR 33 3.944 10.873 3.384
246 HG1 THR 33 HG1 THR 33 6.100 11.414 1.760
247 HG21 THR 33 HG21 THR 33 3.938 13.342 3.488
248 HG22 THR 33 HG22 THR 33 5.651 13.289 3.963
249 HG23 THR 33 HG23 THR 33 4.416 12.542 4.991
250 H PHE 34 H PHE 34 7.591 10.828 5.830
251 HA PHE 34 HA PHE 34 5.879 9.849 7.926
252 HB2 PHE 34 HB2 PHE 34 8.297 9.277 7.866
253 HB3 PHE 34 HB1 PHE 34 8.687 10.976 8.085
254 HD1 PHE 34 HD1 PHE 34 8.743 11.929 10.242
255 HD2 PHE 34 HD2 PHE 34 7.117 8.045 9.689
256 HE1 PHE 34 HE1 PHE 34 8.698 11.609 12.681
257 HE2 PHE 34 HE2 PHE 34 7.066 7.711 12.126
258 HZ PHE 34 HZ PHE 34 7.857 9.496 13.627
259 H THR 35 H THR 35 4.294 11.209 8.359
260 HA THR 35 HA THR 35 4.721 14.054 8.565
261 HB THR 35 HB THR 35 2.258 12.390 9.139
262 HG1 THR 35 HG1 THR 35 3.205 13.707 6.809
263 HG21 THR 35 HG21 THR 35 1.053 14.517 8.812
264 HG22 THR 35 HG22 THR 35 2.595 15.351 8.609
265 HG23 THR 35 HG23 THR 35 2.186 14.623 10.160
Start of MODEL 12
1 H1 ASP 1 HT1 ASP 1 5.291 -12.249 0.205
2 H2 ASP 1 HT2 ASP 1 5.578 -12.082 1.850
3 H3 ASP 1 HT3 ASP 1 6.327 -13.347 0.990
4 HA ASP 1 HA ASP 1 7.848 -11.571 1.466
5 HB2 ASP 1 HB2 ASP 1 7.011 -11.815 -1.432
6 HB3 ASP 1 HB1 ASP 1 8.467 -10.972 -0.914
7 H CYS 2 H CYS 2 8.440 -9.291 0.972
8 HA CYS 2 HA CYS 2 6.119 -7.656 1.280
9 HB2 CYS 2 HB2 CYS 2 7.765 -5.851 1.410
10 HB3 CYS 2 HB1 CYS 2 7.964 -7.085 2.635
11 H ARG 3 H ARG 3 5.921 -5.761 0.113
12 HA ARG 3 HA ARG 3 5.978 -6.251 -2.772
13 HB2 ARG 3 HB2 ARG 3 4.946 -3.819 -1.324
14 HB3 ARG 3 HB1 ARG 3 4.569 -4.329 -2.950
15 HG2 ARG 3 HG2 ARG 3 3.697 -5.703 -0.426
16 HG3 ARG 3 HG1 ARG 3 2.716 -4.613 -1.396
17 HD2 ARG 3 HD2 ARG 3 2.997 -6.202 -3.298
18 HD3 ARG 3 HD1 ARG 3 3.781 -7.312 -2.168
19 HE ARG 3 HE ARG 3 1.100 -6.265 -1.678
20 HH11 ARG 3 HH11 ARG 3 3.267 -9.057 -2.066
21 HH12 ARG 3 HH12 ARG 3 2.071 -10.202 -1.694
22 HH21 ARG 3 HH21 ARG 3 -0.534 -7.896 -1.146
23 HH22 ARG 3 HH22 ARG 3 -0.082 -9.553 -1.156
24 H TYR 4 H TYR 4 7.565 -5.265 -4.049
25 HA TYR 4 HA TYR 4 9.223 -3.340 -2.823
26 HB2 TYR 4 HB2 TYR 4 9.143 -4.648 -5.524
27 HB3 TYR 4 HB1 TYR 4 10.256 -3.376 -5.115
28 HD1 TYR 4 HD1 TYR 4 9.989 -6.801 -5.390
29 HD2 TYR 4 HD2 TYR 4 11.539 -3.862 -2.722
30 HE1 TYR 4 HE1 TYR 4 11.568 -8.446 -4.466
31 HE2 TYR 4 HE2 TYR 4 13.103 -5.495 -1.819
32 HH TYR 4 HH TYR 4 13.610 -8.514 -3.338
33 H MET 5 H MET 5 9.621 -1.705 -5.138
34 HA MET 5 HA MET 5 7.525 0.188 -4.598
35 HB2 MET 5 HB2 MET 5 10.031 0.596 -5.385
36 HB3 MET 5 HB1 MET 5 9.311 0.436 -6.980
37 HG2 MET 5 HG2 MET 5 7.682 2.188 -6.366
38 HG3 MET 5 HG1 MET 5 8.562 2.382 -4.851
39 HE1 MET 5 HE1 MET 5 9.260 4.750 -4.955
40 HE2 MET 5 HE2 MET 5 8.055 4.875 -6.249
41 HE3 MET 5 HE3 MET 5 9.652 5.630 -6.430
42 H PHE 6 H PHE 6 5.831 0.723 -5.656
43 HA PHE 6 HA PHE 6 4.126 0.742 -7.081
44 HB2 PHE 6 HB2 PHE 6 5.880 -0.805 -9.016
45 HB3 PHE 6 HB1 PHE 6 4.285 -0.167 -9.401
46 HD1 PHE 6 HD1 PHE 6 7.792 0.604 -8.915
47 HD2 PHE 6 HD2 PHE 6 3.935 2.254 -9.568
48 HE1 PHE 6 HE1 PHE 6 8.829 2.719 -9.525
49 HE2 PHE 6 HE2 PHE 6 4.963 4.403 -10.203
50 HZ PHE 6 HZ PHE 6 7.415 4.644 -10.184
51 H GLY 7 H GLY 7 5.237 -1.815 -5.488
52 HA2 GLY 7 HA2 GLY 7 3.271 -3.714 -6.343
53 HA3 GLY 7 HA1 GLY 7 4.290 -3.832 -4.904
54 H ASP 8 H ASP 8 1.291 -3.990 -5.465
55 HA ASP 8 HA ASP 8 -0.051 -1.791 -4.348
56 HB2 ASP 8 HB2 ASP 8 -1.183 -3.279 -5.628
57 HB3 ASP 8 HB1 ASP 8 -0.824 -4.672 -4.589
58 H CYS 9 H CYS 9 -0.794 -1.305 -2.384
59 HA CYS 9 HA CYS 9 0.061 -3.053 -0.225
60 HB2 CYS 9 HB2 CYS 9 1.324 -1.366 0.883
61 HB3 CYS 9 HB1 CYS 9 1.774 -1.460 -0.835
62 H GLU 10 H GLU 10 -0.962 -2.669 1.740
63 HA GLU 10 HA GLU 10 -3.333 -0.940 1.629
64 HB2 GLU 10 HB2 GLU 10 -2.812 -3.453 3.211
65 HB3 GLU 10 HB1 GLU 10 -4.284 -2.497 3.259
66 HG2 GLU 10 HG2 GLU 10 -4.749 -3.050 0.954
67 HG3 GLU 10 HG1 GLU 10 -3.227 -3.938 0.843
68 H LYS 11 H LYS 11 -0.619 -2.248 3.444
69 HA LYS 11 HA LYS 11 -0.683 -0.002 5.276
70 HB2 LYS 11 HB2 LYS 11 -0.010 -1.674 7.034
71 HB3 LYS 11 HB1 LYS 11 -1.684 -1.784 6.522
72 HG2 LYS 11 HG2 LYS 11 -0.936 -3.632 4.961
73 HG3 LYS 11 HG1 LYS 11 0.621 -3.574 5.777
74 HD2 LYS 11 HD2 LYS 11 -0.484 -4.104 7.894
75 HD3 LYS 11 HD1 LYS 11 -2.041 -4.153 7.063
76 HE2 LYS 11 HE2 LYS 11 0.319 -5.965 6.549
77 HE3 LYS 11 HE1 LYS 11 -1.168 -6.404 7.381
78 HZ1 LYS 11 HZ1 LYS 11 -2.369 -5.937 5.282
79 HZ2 LYS 11 HZ2 LYS 11 -1.263 -7.197 5.172
80 HZ3 LYS 11 HZ3 LYS 11 -0.877 -5.727 4.476
81 H ASP 12 H ASP 12 1.510 -0.153 6.475
82 HA ASP 12 HA ASP 12 3.474 -0.019 4.362
83 HB2 ASP 12 HB2 ASP 12 3.839 0.431 7.326
84 HB3 ASP 12 HB1 ASP 12 5.073 0.724 6.104
85 H GLU 13 H GLU 13 2.436 -2.344 6.445
86 HA GLU 13 HA GLU 13 4.838 -3.829 6.887
87 HB2 GLU 13 HB2 GLU 13 2.024 -4.761 6.791
88 HB3 GLU 13 HB1 GLU 13 3.361 -5.684 7.425
89 HG2 GLU 13 HG2 GLU 13 3.717 -3.820 9.104
90 HG3 GLU 13 HG1 GLU 13 2.156 -3.180 8.580
91 H ASP 14 H ASP 14 2.602 -3.501 4.305
92 HA ASP 14 HA ASP 14 3.126 -6.033 3.120
93 HB2 ASP 14 HB2 ASP 14 2.048 -3.565 1.698
94 HB3 ASP 14 HB1 ASP 14 2.009 -5.254 1.204
95 H CYS 15 H CYS 15 4.543 -2.881 3.067
96 HA CYS 15 HA CYS 15 6.115 -3.425 0.687
97 HB2 CYS 15 HB2 CYS 15 6.320 -1.064 2.508
98 HB3 CYS 15 HB1 CYS 15 6.797 -1.193 0.832
99 H CYS 16 H CYS 16 8.371 -3.394 0.717
100 HA CYS 16 HA CYS 16 9.631 -4.676 2.853
101 HB2 CYS 16 HB2 CYS 16 10.930 -3.167 0.596
102 HB3 CYS 16 HB1 CYS 16 11.617 -4.443 1.535
103 H LYS 17 H LYS 17 11.945 -3.617 3.462
104 HA LYS 17 HA LYS 17 11.283 -1.849 5.575
105 HB2 LYS 17 HB2 LYS 17 13.993 -2.550 4.505
106 HB3 LYS 17 HB1 LYS 17 13.647 -1.833 6.070
107 HG2 LYS 17 HG2 LYS 17 12.806 -4.549 5.128
108 HG3 LYS 17 HG1 LYS 17 14.156 -4.154 6.200
109 HD2 LYS 17 HD2 LYS 17 12.493 -3.174 7.798
110 HD3 LYS 17 HD1 LYS 17 11.206 -3.722 6.727
111 HE2 LYS 17 HE2 LYS 17 11.484 -5.303 8.531
112 HE3 LYS 17 HE1 LYS 17 11.983 -6.035 7.006
113 HZ1 LYS 17 HZ1 LYS 17 13.525 -6.528 8.806
114 HZ2 LYS 17 HZ2 LYS 17 13.832 -4.875 9.018
115 HZ3 LYS 17 HZ3 LYS 17 14.275 -5.641 7.589
116 H HIS 18 H HIS 18 13.335 -1.369 2.854
117 HA HIS 18 HA HIS 18 13.751 1.453 3.326
118 HB2 HIS 18 HB2 HIS 18 14.420 -0.235 0.898
119 HB3 HIS 18 HB1 HIS 18 14.861 1.454 1.060
120 HD1 HIS 18 HD1 HIS 18 17.298 1.641 1.656
121 HD2 HIS 18 HD2 HIS 18 15.514 -1.691 3.386
122 HE1 HIS 18 HE1 HIS 18 19.109 0.469 2.937
123 H LEU 19 H LEU 19 10.978 0.233 2.615
124 HA LEU 19 HA LEU 19 10.152 2.274 0.636
125 HB2 LEU 19 HB2 LEU 19 9.154 -0.572 0.919
126 HB3 LEU 19 HB1 LEU 19 8.586 0.616 -0.226
127 HG LEU 19 HG LEU 19 11.383 -0.538 -0.278
128 HD11 LEU 19 HD11 LEU 19 8.987 -1.251 -1.925
129 HD12 LEU 19 HD12 LEU 19 9.682 -2.260 -0.656
130 HD13 LEU 19 HD13 LEU 19 10.624 -1.871 -2.109
131 HD21 LEU 19 HD21 LEU 19 9.789 1.092 -2.236
132 HD22 LEU 19 HD22 LEU 19 11.292 0.257 -2.602
133 HD23 LEU 19 HD23 LEU 19 11.288 1.548 -1.406
134 H GLY 20 H GLY 20 7.684 2.241 0.754
135 HA2 GLY 20 HA2 GLY 20 6.561 1.674 3.317
136 HA3 GLY 20 HA1 GLY 20 6.785 3.396 2.986
137 H CYS 21 H CYS 21 4.237 2.446 3.288
138 HA CYS 21 HA CYS 21 3.294 1.875 0.607
139 HB2 CYS 21 HB2 CYS 21 2.429 0.460 2.368
140 HB3 CYS 21 HB1 CYS 21 1.919 1.860 3.296
141 H LYS 22 H LYS 22 2.578 3.421 -0.634
142 HA LYS 22 HA LYS 22 1.745 5.887 0.624
143 HB2 LYS 22 HB2 LYS 22 2.632 5.280 -2.165
144 HB3 LYS 22 HB1 LYS 22 1.707 6.733 -1.803
145 HG2 LYS 22 HG2 LYS 22 4.169 5.935 -0.400
146 HG3 LYS 22 HG1 LYS 22 4.210 7.031 -1.800
147 HD2 LYS 22 HD2 LYS 22 2.639 8.517 -0.484
148 HD3 LYS 22 HD1 LYS 22 2.836 7.444 0.881
149 HE2 LYS 22 HE2 LYS 22 4.325 9.381 1.084
150 HE3 LYS 22 HE1 LYS 22 5.245 7.889 0.933
151 HZ1 LYS 22 HZ1 LYS 22 6.190 9.657 -0.408
152 HZ2 LYS 22 HZ2 LYS 22 4.745 9.837 -1.270
153 HZ3 LYS 22 HZ3 LYS 22 5.631 8.435 -1.423
154 H ARG 23 H ARG 23 -0.149 6.141 1.042
155 HA ARG 23 HA ARG 23 -2.218 4.430 0.094
156 HB2 ARG 23 HB2 ARG 23 -2.227 6.830 1.908
157 HB3 ARG 23 HB1 ARG 23 -3.693 5.991 1.455
158 HG2 ARG 23 HG2 ARG 23 -3.021 5.297 3.623
159 HG3 ARG 23 HG1 ARG 23 -2.771 3.948 2.495
160 HD2 ARG 23 HD2 ARG 23 -0.400 4.385 2.519
161 HD3 ARG 23 HD1 ARG 23 -0.646 5.798 3.549
162 HE ARG 23 HE ARG 23 -1.810 3.677 4.862
163 HH11 ARG 23 HH11 ARG 23 1.457 4.406 3.744
164 HH12 ARG 23 HH12 ARG 23 2.217 3.575 5.017
165 HH21 ARG 23 HH21 ARG 23 -0.733 2.572 6.651
166 HH22 ARG 23 HH22 ARG 23 0.991 2.599 6.690
167 H LYS 24 H LYS 24 -0.816 7.125 -1.142
168 HA LYS 24 HA LYS 24 -3.284 8.245 -2.213
169 HB2 LYS 24 HB2 LYS 24 -0.401 9.045 -2.688
170 HB3 LYS 24 HB1 LYS 24 -1.791 9.875 -3.368
171 HG2 LYS 24 HG2 LYS 24 -2.550 10.415 -1.088
172 HG3 LYS 24 HG1 LYS 24 -1.104 9.637 -0.447
173 HD2 LYS 24 HD2 LYS 24 0.300 11.239 -1.645
174 HD3 LYS 24 HD1 LYS 24 -1.139 12.008 -2.317
175 HE2 LYS 24 HE2 LYS 24 -1.882 12.526 -0.017
176 HE3 LYS 24 HE1 LYS 24 -0.381 11.839 0.596
177 HZ1 LYS 24 HZ1 LYS 24 0.829 13.546 -0.694
178 HZ2 LYS 24 HZ2 LYS 24 -0.183 14.193 0.466
179 HZ3 LYS 24 HZ3 LYS 24 -0.649 14.238 -1.143
180 H MET 25 H MET 25 -0.695 6.188 -2.989
181 HA MET 25 HA MET 25 -1.528 6.113 -5.790
182 HB2 MET 25 HB2 MET 25 1.146 5.282 -4.641
183 HB3 MET 25 HB1 MET 25 0.689 5.442 -6.314
184 HG2 MET 25 HG2 MET 25 0.988 7.683 -4.329
185 HG3 MET 25 HG1 MET 25 2.047 7.321 -5.685
186 HE1 MET 25 HE1 MET 25 -0.213 8.282 -8.752
187 HE2 MET 25 HE2 MET 25 -0.004 6.685 -8.031
188 HE3 MET 25 HE3 MET 25 1.386 7.751 -8.232
189 H LYS 26 H LYS 26 -1.532 4.426 -2.889
190 HA LYS 26 HA LYS 26 -2.102 2.420 -2.152
191 HB2 LYS 26 HB2 LYS 26 -3.218 1.917 -4.926
192 HB3 LYS 26 HB1 LYS 26 -3.484 0.898 -3.540
193 HG2 LYS 26 HG2 LYS 26 -5.450 2.228 -3.770
194 HG3 LYS 26 HG1 LYS 26 -4.560 2.836 -2.373
195 HD2 LYS 26 HD2 LYS 26 -3.572 4.545 -3.810
196 HD3 LYS 26 HD1 LYS 26 -4.591 4.014 -5.138
197 HE2 LYS 26 HE2 LYS 26 -6.597 4.465 -3.726
198 HE3 LYS 26 HE1 LYS 26 -5.528 5.140 -2.498
199 HZ1 LYS 26 HZ1 LYS 26 -4.792 6.784 -4.181
200 HZ2 LYS 26 HZ2 LYS 26 -6.428 6.890 -3.827
201 HZ3 LYS 26 HZ3 LYS 26 -5.931 6.148 -5.248
202 H TYR 27 H TYR 27 0.349 2.892 -3.309
203 HA TYR 27 HA TYR 27 1.175 0.131 -3.442
204 HB2 TYR 27 HB2 TYR 27 2.686 0.336 -5.365
205 HB3 TYR 27 HB1 TYR 27 1.022 0.539 -5.833
206 HD1 TYR 27 HD1 TYR 27 3.852 2.766 -4.734
207 HD2 TYR 27 HD2 TYR 27 0.734 2.068 -7.536
208 HE1 TYR 27 HE1 TYR 27 4.554 4.741 -5.978
209 HE2 TYR 27 HE2 TYR 27 1.414 4.063 -8.791
210 HH TYR 27 HH TYR 27 2.649 6.012 -8.607
211 H CYS 28 H CYS 28 3.522 -0.151 -3.411
212 HA CYS 28 HA CYS 28 4.475 1.424 -1.237
213 HB2 CYS 28 HB2 CYS 28 5.752 -0.867 -2.717
214 HB3 CYS 28 HB1 CYS 28 6.298 -0.185 -1.187
215 H ALA 29 H ALA 29 5.875 2.930 -1.309
216 HA ALA 29 HA ALA 29 7.355 3.483 -3.781
217 HB1 ALA 29 HB1 ALA 29 7.272 5.860 -3.073
218 HB2 ALA 29 HB2 ALA 29 6.276 5.399 -1.695
219 HB3 ALA 29 HB3 ALA 29 5.657 5.204 -3.335
220 H TRP 30 H TRP 30 9.322 5.108 -2.776
221 HA TRP 30 HA TRP 30 10.743 3.333 -0.977
222 HB2 TRP 30 HB2 TRP 30 11.559 5.985 -2.203
223 HB3 TRP 30 HB1 TRP 30 12.586 5.005 -1.181
224 HD1 TRP 30 HD TRP 30 11.380 5.335 -4.686
225 HE1 TRP 30 HE1 TRP 30 12.561 3.561 -6.164
226 HE3 TRP 30 HE3 TRP 30 13.422 2.712 -1.070
227 HZ2 TRP 30 HZ2 TRP 30 14.208 1.274 -5.753
228 HZ3 TRP 30 HZ3 TRP 30 14.857 0.686 -1.579
229 HH2 TRP 30 HH TRP 30 15.216 0.009 -3.900
230 H ASP 31 H ASP 31 8.334 4.875 -0.076
231 HA ASP 31 HA ASP 31 9.378 6.076 2.272
232 HB2 ASP 31 HB2 ASP 31 9.772 7.689 0.611
233 HB3 ASP 31 HB1 ASP 31 8.097 7.623 0.080
234 H PHE 32 H PHE 32 7.912 5.899 3.749
235 HA PHE 32 HA PHE 32 5.263 4.831 3.202
236 HB2 PHE 32 HB2 PHE 32 5.003 4.646 5.625
237 HB3 PHE 32 HB1 PHE 32 6.569 4.014 5.163
238 HD1 PHE 32 HD1 PHE 32 8.589 5.048 5.933
239 HD2 PHE 32 HD2 PHE 32 4.812 6.796 6.858
240 HE1 PHE 32 HE1 PHE 32 9.658 6.476 7.633
241 HE2 PHE 32 HE2 PHE 32 5.878 8.208 8.557
242 HZ PHE 32 HZ PHE 32 8.301 8.054 8.945
243 H THR 33 H THR 33 3.602 5.976 5.019
244 HA THR 33 HA THR 33 3.311 8.565 3.759
245 HB THR 33 HB THR 33 1.354 6.866 5.269
246 HG1 THR 33 HG1 THR 33 2.194 6.388 3.007
247 HG21 THR 33 HG21 THR 33 -0.329 8.491 4.509
248 HG22 THR 33 HG22 THR 33 0.970 9.461 3.777
249 HG23 THR 33 HG23 THR 33 0.921 9.222 5.528
250 H PHE 34 H PHE 34 4.278 10.097 4.841
251 HA PHE 34 HA PHE 34 3.799 10.340 7.732
252 HB2 PHE 34 HB2 PHE 34 6.182 10.060 7.188
253 HB3 PHE 34 HB1 PHE 34 6.093 11.395 6.053
254 HD1 PHE 34 HD1 PHE 34 6.393 13.624 6.785
255 HD2 PHE 34 HD2 PHE 34 5.936 10.504 9.640
256 HE1 PHE 34 HE1 PHE 34 7.093 15.161 8.564
257 HE2 PHE 34 HE2 PHE 34 6.632 12.053 11.429
258 HZ PHE 34 HZ PHE 34 7.209 14.374 10.890
259 H THR 35 H THR 35 1.959 11.550 7.724
260 HA THR 35 HA THR 35 2.179 14.290 6.883
261 HB THR 35 HB THR 35 -0.093 12.575 5.803
262 HG1 THR 35 HG1 THR 35 2.370 13.093 4.869
263 HG21 THR 35 HG21 THR 35 -0.730 14.905 6.325
264 HG22 THR 35 HG22 THR 35 -0.733 14.608 4.587
265 HG23 THR 35 HG23 THR 35 0.605 15.485 5.328
Start of MODEL 13
1 H1 ASP 1 HT1 ASP 1 6.532 -13.473 1.469
2 H2 ASP 1 HT2 ASP 1 5.301 -12.411 0.948
3 H3 ASP 1 HT3 ASP 1 6.093 -12.119 2.372
4 HA ASP 1 HA ASP 1 8.135 -11.655 1.277
5 HB2 ASP 1 HB2 ASP 1 6.527 -12.165 -1.245
6 HB3 ASP 1 HB1 ASP 1 8.133 -11.451 -1.210
7 H CYS 2 H CYS 2 8.516 -9.439 0.903
8 HA CYS 2 HA CYS 2 6.146 -7.817 1.152
9 HB2 CYS 2 HB2 CYS 2 7.771 -6.016 1.375
10 HB3 CYS 2 HB1 CYS 2 7.873 -7.232 2.627
11 H ARG 3 H ARG 3 5.866 -6.020 0.006
12 HA ARG 3 HA ARG 3 6.230 -6.413 -2.840
13 HB2 ARG 3 HB2 ARG 3 4.645 -4.422 -1.239
14 HB3 ARG 3 HB1 ARG 3 4.777 -4.354 -2.987
15 HG2 ARG 3 HG2 ARG 3 3.672 -6.686 -1.440
16 HG3 ARG 3 HG1 ARG 3 2.708 -5.410 -2.193
17 HD2 ARG 3 HD2 ARG 3 3.630 -5.996 -4.373
18 HD3 ARG 3 HD1 ARG 3 4.601 -7.264 -3.636
19 HE ARG 3 HE ARG 3 1.907 -7.648 -2.998
20 HH11 ARG 3 HH11 ARG 3 4.134 -7.854 -5.755
21 HH12 ARG 3 HH12 ARG 3 3.265 -9.058 -6.584
22 HH21 ARG 3 HH21 ARG 3 0.693 -9.364 -4.134
23 HH22 ARG 3 HH22 ARG 3 1.272 -9.952 -5.619
24 H TYR 4 H TYR 4 7.634 -5.318 -4.097
25 HA TYR 4 HA TYR 4 9.308 -3.402 -2.892
26 HB2 TYR 4 HB2 TYR 4 9.129 -4.676 -5.605
27 HB3 TYR 4 HB1 TYR 4 10.268 -3.424 -5.227
28 HD1 TYR 4 HD1 TYR 4 11.294 -4.068 -2.585
29 HD2 TYR 4 HD2 TYR 4 10.295 -6.697 -5.798
30 HE1 TYR 4 HE1 TYR 4 12.861 -5.654 -1.753
31 HE2 TYR 4 HE2 TYR 4 11.904 -8.345 -4.920
32 HH TYR 4 HH TYR 4 13.210 -8.066 -1.821
33 H MET 5 H MET 5 9.685 -1.748 -5.116
34 HA MET 5 HA MET 5 7.601 0.121 -4.580
35 HB2 MET 5 HB2 MET 5 10.094 0.572 -5.310
36 HB3 MET 5 HB1 MET 5 9.443 0.383 -6.934
37 HG2 MET 5 HG2 MET 5 7.782 2.128 -6.435
38 HG3 MET 5 HG1 MET 5 8.542 2.317 -4.857
39 HE1 MET 5 HE1 MET 5 8.078 4.833 -6.382
40 HE2 MET 5 HE2 MET 5 9.670 5.608 -6.381
41 HE3 MET 5 HE3 MET 5 9.106 4.769 -4.942
42 H PHE 6 H PHE 6 5.938 0.715 -5.661
43 HA PHE 6 HA PHE 6 4.236 0.787 -7.086
44 HB2 PHE 6 HB2 PHE 6 5.968 -0.773 -9.021
45 HB3 PHE 6 HB1 PHE 6 4.386 -0.110 -9.416
46 HD1 PHE 6 HD1 PHE 6 4.074 2.321 -9.574
47 HD2 PHE 6 HD2 PHE 6 7.896 0.612 -8.875
48 HE1 PHE 6 HE1 PHE 6 5.136 4.455 -10.169
49 HE2 PHE 6 HE2 PHE 6 8.966 2.721 -9.451
50 HZ PHE 6 HZ PHE 6 7.590 4.665 -10.115
51 H GLY 7 H GLY 7 5.220 -1.777 -5.477
52 HA2 GLY 7 HA2 GLY 7 3.246 -3.651 -6.407
53 HA3 GLY 7 HA1 GLY 7 4.257 -3.806 -4.968
54 H ASP 8 H ASP 8 1.367 -4.148 -5.325
55 HA ASP 8 HA ASP 8 -0.077 -1.973 -4.232
56 HB2 ASP 8 HB2 ASP 8 -1.266 -3.507 -5.400
57 HB3 ASP 8 HB1 ASP 8 -0.665 -4.896 -4.476
58 H CYS 9 H CYS 9 -0.841 -1.567 -2.234
59 HA CYS 9 HA CYS 9 0.068 -3.233 -0.056
60 HB2 CYS 9 HB2 CYS 9 1.359 -1.472 0.984
61 HB3 CYS 9 HB1 CYS 9 1.875 -1.820 -0.684
62 H GLU 10 H GLU 10 -1.084 -2.882 1.838
63 HA GLU 10 HA GLU 10 -3.200 -0.858 1.730
64 HB2 GLU 10 HB2 GLU 10 -3.029 -3.430 3.300
65 HB3 GLU 10 HB1 GLU 10 -4.328 -2.258 3.425
66 HG2 GLU 10 HG2 GLU 10 -4.897 -2.677 1.073
67 HG3 GLU 10 HG1 GLU 10 -3.617 -3.890 1.001
68 H LYS 11 H LYS 11 -0.394 -2.115 3.305
69 HA LYS 11 HA LYS 11 -0.361 0.120 5.125
70 HB2 LYS 11 HB2 LYS 11 0.365 -1.455 6.928
71 HB3 LYS 11 HB1 LYS 11 -1.328 -1.586 6.480
72 HG2 LYS 11 HG2 LYS 11 -0.708 -3.523 5.032
73 HG3 LYS 11 HG1 LYS 11 0.916 -3.432 5.703
74 HD2 LYS 11 HD2 LYS 11 0.005 -3.807 7.934
75 HD3 LYS 11 HD1 LYS 11 -1.622 -3.866 7.257
76 HE2 LYS 11 HE2 LYS 11 0.632 -5.791 6.650
77 HE3 LYS 11 HE1 LYS 11 -0.764 -6.101 7.670
78 HZ1 LYS 11 HZ1 LYS 11 -1.136 -7.071 5.599
79 HZ2 LYS 11 HZ2 LYS 11 -0.735 -5.716 4.723
80 HZ3 LYS 11 HZ3 LYS 11 -2.165 -5.747 5.658
81 H ASP 12 H ASP 12 1.847 0.019 6.194
82 HA ASP 12 HA ASP 12 3.805 0.024 4.077
83 HB2 ASP 12 HB2 ASP 12 4.232 0.445 7.046
84 HB3 ASP 12 HB1 ASP 12 5.416 0.757 5.786
85 H GLU 13 H GLU 13 2.688 -2.185 6.264
86 HA GLU 13 HA GLU 13 5.036 -3.754 6.738
87 HB2 GLU 13 HB2 GLU 13 2.173 -4.536 6.835
88 HB3 GLU 13 HB1 GLU 13 3.488 -5.434 7.556
89 HG2 GLU 13 HG2 GLU 13 3.966 -3.440 9.025
90 HG3 GLU 13 HG1 GLU 13 2.495 -2.705 8.395
91 H ASP 14 H ASP 14 2.718 -3.480 4.211
92 HA ASP 14 HA ASP 14 3.154 -6.119 3.165
93 HB2 ASP 14 HB2 ASP 14 1.965 -3.768 1.640
94 HB3 ASP 14 HB1 ASP 14 1.882 -5.499 1.316
95 H CYS 15 H CYS 15 4.573 -3.033 2.983
96 HA CYS 15 HA CYS 15 6.103 -3.613 0.595
97 HB2 CYS 15 HB2 CYS 15 6.344 -1.290 2.490
98 HB3 CYS 15 HB1 CYS 15 6.906 -1.394 0.833
99 H CYS 16 H CYS 16 8.436 -3.551 0.716
100 HA CYS 16 HA CYS 16 9.570 -4.880 2.904
101 HB2 CYS 16 HB2 CYS 16 10.972 -3.358 0.712
102 HB3 CYS 16 HB1 CYS 16 11.639 -4.619 1.680
103 H LYS 17 H LYS 17 11.847 -3.761 3.648
104 HA LYS 17 HA LYS 17 10.992 -2.038 5.723
105 HB2 LYS 17 HB2 LYS 17 13.813 -2.553 4.822
106 HB3 LYS 17 HB1 LYS 17 13.311 -1.891 6.371
107 HG2 LYS 17 HG2 LYS 17 11.988 -3.961 6.641
108 HG3 LYS 17 HG1 LYS 17 12.889 -4.617 5.289
109 HD2 LYS 17 HD2 LYS 17 15.013 -4.207 6.427
110 HD3 LYS 17 HD1 LYS 17 14.142 -3.564 7.820
111 HE2 LYS 17 HE2 LYS 17 13.043 -5.746 8.114
112 HE3 LYS 17 HE1 LYS 17 13.966 -6.377 6.753
113 HZ1 LYS 17 HZ1 LYS 17 15.001 -6.986 8.816
114 HZ2 LYS 17 HZ2 LYS 17 15.068 -5.378 9.312
115 HZ3 LYS 17 HZ3 LYS 17 16.004 -5.890 8.003
116 H HIS 18 H HIS 18 12.999 -1.484 3.042
117 HA HIS 18 HA HIS 18 13.396 1.339 3.551
118 HB2 HIS 18 HB2 HIS 18 14.122 -0.345 1.153
119 HB3 HIS 18 HB1 HIS 18 14.514 1.359 1.288
120 HD1 HIS 18 HD1 HIS 18 16.773 1.824 2.243
121 HD2 HIS 18 HD2 HIS 18 15.359 -1.923 3.335
122 HE1 HIS 18 HE1 HIS 18 18.652 0.704 3.507
123 H LEU 19 H LEU 19 10.616 0.164 2.838
124 HA LEU 19 HA LEU 19 9.955 2.136 0.762
125 HB2 LEU 19 HB2 LEU 19 8.908 -0.681 1.037
126 HB3 LEU 19 HB1 LEU 19 8.346 0.501 -0.125
127 HG LEU 19 HG LEU 19 11.194 -0.510 -0.110
128 HD11 LEU 19 HD11 LEU 19 8.869 -1.493 -1.727
129 HD12 LEU 19 HD12 LEU 19 9.616 -2.370 -0.391
130 HD13 LEU 19 HD13 LEU 19 10.552 -2.009 -1.852
131 HD21 LEU 19 HD21 LEU 19 11.137 0.207 -2.416
132 HD22 LEU 19 HD22 LEU 19 10.818 1.545 -1.315
133 HD23 LEU 19 HD23 LEU 19 9.486 0.796 -2.210
134 H GLY 20 H GLY 20 7.905 2.919 0.876
135 HA2 GLY 20 HA2 GLY 20 6.394 2.395 3.336
136 HA3 GLY 20 HA1 GLY 20 6.724 4.049 2.803
137 H CYS 21 H CYS 21 4.185 2.615 3.063
138 HA CYS 21 HA CYS 21 3.363 2.089 0.331
139 HB2 CYS 21 HB2 CYS 21 2.577 0.591 2.052
140 HB3 CYS 21 HB1 CYS 21 1.935 1.930 2.987
141 H LYS 22 H LYS 22 2.843 3.791 -0.941
142 HA LYS 22 HA LYS 22 1.998 6.313 0.154
143 HB2 LYS 22 HB2 LYS 22 1.959 5.215 -2.611
144 HB3 LYS 22 HB1 LYS 22 1.416 6.841 -2.238
145 HG2 LYS 22 HG2 LYS 22 4.099 5.810 -1.596
146 HG3 LYS 22 HG1 LYS 22 3.777 6.622 -3.142
147 HD2 LYS 22 HD2 LYS 22 2.999 8.607 -1.696
148 HD3 LYS 22 HD1 LYS 22 3.685 7.741 -0.324
149 HE2 LYS 22 HE2 LYS 22 5.878 7.767 -1.325
150 HE3 LYS 22 HE1 LYS 22 5.231 8.471 -2.802
151 HZ1 LYS 22 HZ1 LYS 22 4.686 10.461 -1.570
152 HZ2 LYS 22 HZ2 LYS 22 6.315 10.125 -1.467
153 HZ3 LYS 22 HZ3 LYS 22 5.324 9.822 -0.144
154 H ARG 23 H ARG 23 0.156 6.527 1.001
155 HA ARG 23 HA ARG 23 -2.062 4.793 0.649
156 HB2 ARG 23 HB2 ARG 23 -2.471 7.570 1.674
157 HB3 ARG 23 HB1 ARG 23 -3.199 6.077 2.212
158 HG2 ARG 23 HG2 ARG 23 -0.434 7.094 2.858
159 HG3 ARG 23 HG1 ARG 23 -1.810 6.999 3.943
160 HD2 ARG 23 HD2 ARG 23 -1.722 4.492 3.538
161 HD3 ARG 23 HD1 ARG 23 -0.146 4.804 2.793
162 HE ARG 23 HE ARG 23 -0.673 5.780 5.514
163 HH11 ARG 23 HH11 ARG 23 1.299 3.822 3.422
164 HH12 ARG 23 HH12 ARG 23 2.388 3.331 4.652
165 HH21 ARG 23 HH21 ARG 23 0.837 5.078 7.229
166 HH22 ARG 23 HH22 ARG 23 2.089 3.989 6.774
167 H LYS 24 H LYS 24 -0.878 7.239 -1.214
168 HA LYS 24 HA LYS 24 -3.457 8.292 -2.160
169 HB2 LYS 24 HB2 LYS 24 -1.655 9.912 -1.799
170 HB3 LYS 24 HB1 LYS 24 -0.611 9.010 -2.883
171 HG2 LYS 24 HG2 LYS 24 -2.128 9.532 -4.747
172 HG3 LYS 24 HG1 LYS 24 -3.116 10.497 -3.649
173 HD2 LYS 24 HD2 LYS 24 -1.227 11.993 -3.243
174 HD3 LYS 24 HD1 LYS 24 -0.199 10.988 -4.259
175 HE2 LYS 24 HE2 LYS 24 -1.580 11.468 -6.187
176 HE3 LYS 24 HE1 LYS 24 -2.676 12.421 -5.194
177 HZ1 LYS 24 HZ1 LYS 24 0.190 13.057 -5.630
178 HZ2 LYS 24 HZ2 LYS 24 -0.934 14.023 -4.820
179 HZ3 LYS 24 HZ3 LYS 24 -1.074 13.760 -6.471
180 H MET 25 H MET 25 -0.919 6.178 -2.998
181 HA MET 25 HA MET 25 -1.955 5.937 -5.723
182 HB2 MET 25 HB2 MET 25 0.812 5.457 -4.642
183 HB3 MET 25 HB1 MET 25 0.264 5.029 -6.229
184 HG2 MET 25 HG2 MET 25 0.270 7.815 -5.140
185 HG3 MET 25 HG1 MET 25 1.512 7.125 -6.189
186 HE1 MET 25 HE1 MET 25 1.337 8.881 -7.983
187 HE2 MET 25 HE2 MET 25 0.202 9.787 -6.972
188 HE3 MET 25 HE3 MET 25 -0.160 9.503 -8.684
189 H LYS 26 H LYS 26 -1.524 4.331 -2.764
190 HA LYS 26 HA LYS 26 -1.936 2.289 -1.983
191 HB2 LYS 26 HB2 LYS 26 -3.219 1.713 -4.667
192 HB3 LYS 26 HB1 LYS 26 -3.427 0.773 -3.199
193 HG2 LYS 26 HG2 LYS 26 -4.362 3.593 -3.688
194 HG3 LYS 26 HG1 LYS 26 -5.366 2.158 -3.481
195 HD2 LYS 26 HD2 LYS 26 -3.493 3.273 -1.435
196 HD3 LYS 26 HD1 LYS 26 -5.232 3.613 -1.440
197 HE2 LYS 26 HE2 LYS 26 -3.859 0.939 -1.054
198 HE3 LYS 26 HE1 LYS 26 -4.739 1.848 0.162
199 HZ1 LYS 26 HZ1 LYS 26 -6.786 1.515 -1.189
200 HZ2 LYS 26 HZ2 LYS 26 -6.121 0.099 -0.629
201 HZ3 LYS 26 HZ3 LYS 26 -5.905 0.521 -2.241
202 H TYR 27 H TYR 27 0.400 2.922 -3.049
203 HA TYR 27 HA TYR 27 1.360 0.240 -3.524
204 HB2 TYR 27 HB2 TYR 27 2.702 0.501 -5.462
205 HB3 TYR 27 HB1 TYR 27 1.085 0.988 -5.866
206 HD1 TYR 27 HD1 TYR 27 0.830 3.099 -7.076
207 HD2 TYR 27 HD2 TYR 27 4.445 2.346 -4.947
208 HE1 TYR 27 HE1 TYR 27 1.844 5.063 -8.081
209 HE2 TYR 27 HE2 TYR 27 5.456 4.332 -5.956
210 HH TYR 27 HH TYR 27 3.640 6.627 -7.733
211 H CYS 28 H CYS 28 3.559 -0.088 -3.458
212 HA CYS 28 HA CYS 28 4.640 1.341 -1.219
213 HB2 CYS 28 HB2 CYS 28 5.801 -0.927 -2.840
214 HB3 CYS 28 HB1 CYS 28 6.436 -0.325 -1.312
215 H ALA 29 H ALA 29 5.916 2.973 -1.329
216 HA ALA 29 HA ALA 29 7.504 3.430 -3.741
217 HB1 ALA 29 HB1 ALA 29 7.280 5.803 -3.314
218 HB2 ALA 29 HB2 ALA 29 6.328 5.478 -1.866
219 HB3 ALA 29 HB3 ALA 29 5.680 5.074 -3.459
220 H TRP 30 H TRP 30 9.249 5.360 -2.667
221 HA TRP 30 HA TRP 30 10.724 3.578 -0.990
222 HB2 TRP 30 HB2 TRP 30 11.522 6.238 -2.164
223 HB3 TRP 30 HB1 TRP 30 12.561 5.295 -1.109
224 HD1 TRP 30 HD TRP 30 11.614 5.626 -4.665
225 HE1 TRP 30 HE1 TRP 30 12.659 3.693 -6.041
226 HE3 TRP 30 HE3 TRP 30 13.038 2.792 -0.879
227 HZ2 TRP 30 HZ2 TRP 30 13.951 1.219 -5.497
228 HZ3 TRP 30 HZ3 TRP 30 14.210 0.595 -1.285
229 HH2 TRP 30 HH TRP 30 14.639 -0.152 -3.574
230 H ASP 31 H ASP 31 8.358 5.620 -0.232
231 HA ASP 31 HA ASP 31 8.663 5.458 2.452
232 HB2 ASP 31 HB2 ASP 31 10.397 7.055 2.300
233 HB3 ASP 31 HB1 ASP 31 9.442 8.121 1.268
234 H PHE 32 H PHE 32 6.886 6.282 3.413
235 HA PHE 32 HA PHE 32 4.570 6.302 1.672
236 HB2 PHE 32 HB2 PHE 32 3.270 6.180 3.829
237 HB3 PHE 32 HB1 PHE 32 4.386 4.855 3.542
238 HD1 PHE 32 HD1 PHE 32 3.751 7.872 5.562
239 HD2 PHE 32 HD2 PHE 32 6.276 4.497 4.978
240 HE1 PHE 32 HE1 PHE 32 4.790 8.269 7.751
241 HE2 PHE 32 HE2 PHE 32 7.314 4.889 7.169
242 HZ PHE 32 HZ PHE 32 6.572 6.779 8.558
243 H THR 33 H THR 33 6.294 8.627 3.574
244 HA THR 33 HA THR 33 4.348 10.443 4.275
245 HB THR 33 HB THR 33 7.121 11.239 3.467
246 HG1 THR 33 HG1 THR 33 7.682 9.626 4.622
247 HG21 THR 33 HG21 THR 33 6.928 12.661 5.459
248 HG22 THR 33 HG22 THR 33 5.333 11.990 5.788
249 HG23 THR 33 HG23 THR 33 5.595 12.970 4.345
250 H PHE 34 H PHE 34 3.358 12.087 3.283
251 HA PHE 34 HA PHE 34 3.723 12.409 0.403
252 HB2 PHE 34 HB2 PHE 34 1.525 13.356 2.232
253 HB3 PHE 34 HB1 PHE 34 1.551 13.558 0.486
254 HD1 PHE 34 HD1 PHE 34 0.564 11.498 3.168
255 HD2 PHE 34 HD2 PHE 34 1.739 11.415 -0.907
256 HE1 PHE 34 HE1 PHE 34 -0.475 9.295 2.917
257 HE2 PHE 34 HE2 PHE 34 0.698 9.215 -1.164
258 HZ PHE 34 HZ PHE 34 -0.412 8.158 0.742
259 H THR 35 H THR 35 3.102 14.790 -0.263
260 HA THR 35 HA THR 35 4.255 16.774 1.474
261 HB THR 35 HB THR 35 6.239 15.880 0.309
262 HG1 THR 35 HG1 THR 35 6.990 17.829 0.045
263 HG21 THR 35 HG21 THR 35 4.802 16.662 -2.239
264 HG22 THR 35 HG22 THR 35 5.158 15.016 -1.716
265 HG23 THR 35 HG23 THR 35 6.475 16.111 -2.134
Start of MODEL 14
1 H1 ASP 1 HT1 ASP 1 7.816 -12.630 1.856
2 H2 ASP 1 HT2 ASP 1 8.654 -13.521 0.715
3 H3 ASP 1 HT3 ASP 1 7.114 -12.873 0.340
4 HA ASP 1 HA ASP 1 9.574 -11.351 0.940
5 HB2 ASP 1 HB2 ASP 1 8.030 -11.719 -1.631
6 HB3 ASP 1 HB1 ASP 1 9.252 -10.484 -1.400
7 H CYS 2 H CYS 2 9.314 -9.092 0.622
8 HA CYS 2 HA CYS 2 6.689 -8.093 1.423
9 HB2 CYS 2 HB2 CYS 2 7.989 -6.000 1.568
10 HB3 CYS 2 HB1 CYS 2 8.471 -7.244 2.705
11 H ARG 3 H ARG 3 6.107 -6.088 0.373
12 HA ARG 3 HA ARG 3 6.228 -6.584 -2.479
13 HB2 ARG 3 HB2 ARG 3 4.018 -6.286 -1.346
14 HB3 ARG 3 HB1 ARG 3 4.484 -4.641 -0.944
15 HG2 ARG 3 HG2 ARG 3 2.990 -4.713 -2.852
16 HG3 ARG 3 HG1 ARG 3 4.574 -4.073 -3.287
17 HD2 ARG 3 HD2 ARG 3 3.775 -5.615 -5.014
18 HD3 ARG 3 HD1 ARG 3 5.198 -6.259 -4.209
19 HE ARG 3 HE ARG 3 3.098 -7.371 -2.888
20 HH11 ARG 3 HH11 ARG 3 4.121 -7.243 -6.292
21 HH12 ARG 3 HH12 ARG 3 3.458 -8.744 -6.705
22 HH21 ARG 3 HH21 ARG 3 2.128 -9.445 -3.474
23 HH22 ARG 3 HH22 ARG 3 2.273 -10.016 -5.064
24 H TYR 4 H TYR 4 7.483 -5.390 -3.821
25 HA TYR 4 HA TYR 4 9.054 -3.337 -2.663
26 HB2 TYR 4 HB2 TYR 4 9.087 -4.784 -5.297
27 HB3 TYR 4 HB1 TYR 4 10.248 -3.579 -4.797
28 HD1 TYR 4 HD1 TYR 4 9.326 -7.052 -4.652
29 HD2 TYR 4 HD2 TYR 4 11.722 -4.090 -2.718
30 HE1 TYR 4 HE1 TYR 4 10.676 -8.812 -3.610
31 HE2 TYR 4 HE2 TYR 4 13.060 -5.830 -1.706
32 HH TYR 4 HH TYR 4 12.923 -9.076 -2.698
33 H MET 5 H MET 5 9.579 -1.871 -4.988
34 HA MET 5 HA MET 5 7.546 0.071 -4.705
35 HB2 MET 5 HB2 MET 5 10.057 0.407 -5.325
36 HB3 MET 5 HB1 MET 5 9.506 0.119 -6.967
37 HG2 MET 5 HG2 MET 5 7.952 1.968 -6.788
38 HG3 MET 5 HG1 MET 5 8.466 2.238 -5.125
39 HE1 MET 5 HE1 MET 5 8.412 4.657 -6.907
40 HE2 MET 5 HE2 MET 5 10.033 5.344 -6.714
41 HE3 MET 5 HE3 MET 5 9.195 4.677 -5.318
42 H PHE 6 H PHE 6 5.943 0.704 -5.882
43 HA PHE 6 HA PHE 6 4.315 0.821 -7.395
44 HB2 PHE 6 HB2 PHE 6 6.076 -0.823 -9.235
45 HB3 PHE 6 HB1 PHE 6 4.591 -0.001 -9.711
46 HD1 PHE 6 HD1 PHE 6 4.512 2.541 -9.374
47 HD2 PHE 6 HD2 PHE 6 8.096 0.271 -9.325
48 HE1 PHE 6 HE1 PHE 6 5.812 4.590 -9.801
49 HE2 PHE 6 HE2 PHE 6 9.402 2.281 -9.731
50 HZ PHE 6 HZ PHE 6 8.264 4.468 -9.984
51 H GLY 7 H GLY 7 5.023 -1.648 -5.669
52 HA2 GLY 7 HA2 GLY 7 3.002 -3.446 -6.721
53 HA3 GLY 7 HA1 GLY 7 4.062 -3.713 -5.330
54 H ASP 8 H ASP 8 1.133 -3.861 -5.617
55 HA ASP 8 HA ASP 8 -0.126 -1.644 -4.397
56 HB2 ASP 8 HB2 ASP 8 -1.400 -2.998 -5.665
57 HB3 ASP 8 HB1 ASP 8 -0.970 -4.486 -4.805
58 H CYS 9 H CYS 9 -0.853 -1.273 -2.409
59 HA CYS 9 HA CYS 9 -0.107 -3.093 -0.294
60 HB2 CYS 9 HB2 CYS 9 1.339 -1.537 0.826
61 HB3 CYS 9 HB1 CYS 9 1.811 -1.747 -0.874
62 H GLU 10 H GLU 10 -1.213 -2.707 1.620
63 HA GLU 10 HA GLU 10 -3.283 -0.634 1.489
64 HB2 GLU 10 HB2 GLU 10 -3.202 -3.248 2.987
65 HB3 GLU 10 HB1 GLU 10 -4.469 -2.043 3.154
66 HG2 GLU 10 HG2 GLU 10 -5.121 -2.342 0.862
67 HG3 GLU 10 HG1 GLU 10 -3.771 -3.443 0.586
68 H LYS 11 H LYS 11 -0.736 -2.178 3.346
69 HA LYS 11 HA LYS 11 -0.696 0.103 5.112
70 HB2 LYS 11 HB2 LYS 11 -0.007 -1.606 6.901
71 HB3 LYS 11 HB1 LYS 11 -1.717 -1.441 6.540
72 HG2 LYS 11 HG2 LYS 11 -1.568 -3.465 5.119
73 HG3 LYS 11 HG1 LYS 11 0.137 -3.613 5.538
74 HD2 LYS 11 HD2 LYS 11 -0.390 -4.018 7.833
75 HD3 LYS 11 HD1 LYS 11 -2.081 -3.595 7.576
76 HE2 LYS 11 HE2 LYS 11 -1.802 -6.017 7.744
77 HE3 LYS 11 HE1 LYS 11 -2.362 -5.553 6.144
78 HZ1 LYS 11 HZ1 LYS 11 0.430 -6.292 6.867
79 HZ2 LYS 11 HZ2 LYS 11 -0.094 -5.868 5.299
80 HZ3 LYS 11 HZ3 LYS 11 -0.683 -7.235 6.054
81 H ASP 12 H ASP 12 1.396 0.234 6.183
82 HA ASP 12 HA ASP 12 3.476 0.158 4.268
83 HB2 ASP 12 HB2 ASP 12 3.478 0.723 7.212
84 HB3 ASP 12 HB1 ASP 12 4.970 0.657 6.283
85 H GLU 13 H GLU 13 2.330 -2.152 6.356
86 HA GLU 13 HA GLU 13 4.724 -3.621 6.917
87 HB2 GLU 13 HB2 GLU 13 1.885 -4.491 6.861
88 HB3 GLU 13 HB1 GLU 13 3.208 -5.404 7.557
89 HG2 GLU 13 HG2 GLU 13 3.634 -3.526 9.126
90 HG3 GLU 13 HG1 GLU 13 2.196 -2.739 8.489
91 H ASP 14 H ASP 14 2.579 -3.384 4.292
92 HA ASP 14 HA ASP 14 3.101 -5.976 3.251
93 HB2 ASP 14 HB2 ASP 14 1.925 -3.587 1.782
94 HB3 ASP 14 HB1 ASP 14 1.888 -5.293 1.334
95 H CYS 15 H CYS 15 4.475 -2.825 3.049
96 HA CYS 15 HA CYS 15 6.109 -3.526 0.762
97 HB2 CYS 15 HB2 CYS 15 6.259 -1.004 2.388
98 HB3 CYS 15 HB1 CYS 15 6.811 -1.284 0.759
99 H CYS 16 H CYS 16 8.315 -3.496 0.857
100 HA CYS 16 HA CYS 16 9.670 -4.677 2.953
101 HB2 CYS 16 HB2 CYS 16 10.864 -2.941 0.825
102 HB3 CYS 16 HB1 CYS 16 11.616 -4.277 1.623
103 H LYS 17 H LYS 17 11.836 -3.624 3.686
104 HA LYS 17 HA LYS 17 11.248 -1.748 5.765
105 HB2 LYS 17 HB2 LYS 17 13.963 -2.498 4.692
106 HB3 LYS 17 HB1 LYS 17 13.595 -1.847 6.277
107 HG2 LYS 17 HG2 LYS 17 12.388 -3.825 6.798
108 HG3 LYS 17 HG1 LYS 17 12.758 -4.513 5.226
109 HD2 LYS 17 HD2 LYS 17 15.186 -4.322 5.711
110 HD3 LYS 17 HD1 LYS 17 14.794 -3.746 7.330
111 HE2 LYS 17 HE2 LYS 17 15.381 -6.127 7.316
112 HE3 LYS 17 HE1 LYS 17 13.727 -5.868 7.854
113 HZ1 LYS 17 HZ1 LYS 17 14.532 -6.702 5.112
114 HZ2 LYS 17 HZ2 LYS 17 12.945 -6.535 5.660
115 HZ3 LYS 17 HZ3 LYS 17 13.932 -7.726 6.304
116 H HIS 18 H HIS 18 13.133 -1.677 2.943
117 HA HIS 18 HA HIS 18 14.015 1.041 3.028
118 HB2 HIS 18 HB2 HIS 18 13.949 -0.916 0.723
119 HB3 HIS 18 HB1 HIS 18 14.613 0.698 0.597
120 HD1 HIS 18 HD1 HIS 18 17.022 -0.012 0.194
121 HD2 HIS 18 HD2 HIS 18 15.407 -1.645 3.649
122 HE1 HIS 18 HE1 HIS 18 18.922 -1.109 1.390
123 H LEU 19 H LEU 19 10.924 0.046 2.555
124 HA LEU 19 HA LEU 19 10.332 2.332 0.824
125 HB2 LEU 19 HB2 LEU 19 9.200 -0.451 0.595
126 HB3 LEU 19 HB1 LEU 19 8.509 0.942 -0.194
127 HG LEU 19 HG LEU 19 10.955 1.111 -1.223
128 HD11 LEU 19 HD11 LEU 19 11.939 -1.020 -1.690
129 HD12 LEU 19 HD12 LEU 19 10.667 -1.833 -0.798
130 HD13 LEU 19 HD13 LEU 19 11.824 -0.804 0.065
131 HD21 LEU 19 HD21 LEU 19 8.923 0.934 -2.483
132 HD22 LEU 19 HD22 LEU 19 8.844 -0.799 -2.145
133 HD23 LEU 19 HD23 LEU 19 10.151 -0.151 -3.134
134 H GLY 20 H GLY 20 7.910 2.626 0.788
135 HA2 GLY 20 HA2 GLY 20 6.667 2.090 3.351
136 HA3 GLY 20 HA1 GLY 20 6.871 3.771 2.836
137 H CYS 21 H CYS 21 4.350 2.645 3.187
138 HA CYS 21 HA CYS 21 3.470 1.933 0.492
139 HB2 CYS 21 HB2 CYS 21 2.649 0.505 2.260
140 HB3 CYS 21 HB1 CYS 21 2.024 1.881 3.154
141 H LYS 22 H LYS 22 2.762 3.488 -0.836
142 HA LYS 22 HA LYS 22 1.887 5.993 0.304
143 HB2 LYS 22 HB2 LYS 22 2.079 5.064 -2.556
144 HB3 LYS 22 HB1 LYS 22 1.456 6.635 -2.073
145 HG2 LYS 22 HG2 LYS 22 4.103 5.586 -1.390
146 HG3 LYS 22 HG1 LYS 22 3.803 6.617 -2.822
147 HD2 LYS 22 HD2 LYS 22 3.042 8.395 -1.307
148 HD3 LYS 22 HD1 LYS 22 3.320 7.346 0.082
149 HE2 LYS 22 HE2 LYS 22 5.684 7.264 -0.409
150 HE3 LYS 22 HE1 LYS 22 5.441 8.239 -1.855
151 HZ1 LYS 22 HZ1 LYS 22 4.836 10.090 -0.531
152 HZ2 LYS 22 HZ2 LYS 22 6.261 9.427 0.166
153 HZ3 LYS 22 HZ3 LYS 22 4.752 9.135 0.861
154 H ARG 23 H ARG 23 0.051 6.068 1.042
155 HA ARG 23 HA ARG 23 -1.910 4.088 0.355
156 HB2 ARG 23 HB2 ARG 23 -2.316 6.427 2.233
157 HB3 ARG 23 HB1 ARG 23 -3.259 4.954 2.157
158 HG2 ARG 23 HG2 ARG 23 -1.993 4.551 4.045
159 HG3 ARG 23 HG1 ARG 23 -0.957 3.836 2.806
160 HD2 ARG 23 HD2 ARG 23 0.413 5.833 2.736
161 HD3 ARG 23 HD1 ARG 23 -0.666 6.650 3.865
162 HE ARG 23 HE ARG 23 0.972 4.306 4.491
163 HH11 ARG 23 HH11 ARG 23 -0.441 7.408 5.418
164 HH12 ARG 23 HH12 ARG 23 0.444 7.531 6.873
165 HH21 ARG 23 HH21 ARG 23 2.224 4.519 6.462
166 HH22 ARG 23 HH22 ARG 23 1.954 5.884 7.473
167 H LYS 24 H LYS 24 -0.912 6.930 -0.862
168 HA LYS 24 HA LYS 24 -3.553 7.927 -1.645
169 HB2 LYS 24 HB2 LYS 24 -0.784 8.961 -2.266
170 HB3 LYS 24 HB1 LYS 24 -2.282 9.737 -2.743
171 HG2 LYS 24 HG2 LYS 24 -1.379 9.289 0.093
172 HG3 LYS 24 HG1 LYS 24 -1.236 10.801 -0.805
173 HD2 LYS 24 HD2 LYS 24 -3.689 10.861 -1.017
174 HD3 LYS 24 HD1 LYS 24 -3.793 9.378 -0.065
175 HE2 LYS 24 HE2 LYS 24 -4.200 11.340 1.329
176 HE3 LYS 24 HE1 LYS 24 -2.724 10.507 1.817
177 HZ1 LYS 24 HZ1 LYS 24 -2.871 12.980 0.170
178 HZ2 LYS 24 HZ2 LYS 24 -1.452 12.173 0.550
179 HZ3 LYS 24 HZ3 LYS 24 -2.360 12.880 1.762
180 H MET 25 H MET 25 -0.914 6.097 -2.745
181 HA MET 25 HA MET 25 -1.817 6.296 -5.536
182 HB2 MET 25 HB2 MET 25 0.891 5.432 -4.507
183 HB3 MET 25 HB1 MET 25 0.402 5.656 -6.154
184 HG2 MET 25 HG2 MET 25 0.550 7.854 -4.114
185 HG3 MET 25 HG1 MET 25 1.760 7.516 -5.346
186 HE1 MET 25 HE1 MET 25 -0.128 6.800 -7.894
187 HE2 MET 25 HE2 MET 25 1.335 7.779 -7.928
188 HE3 MET 25 HE3 MET 25 -0.153 8.399 -8.642
189 H LYS 26 H LYS 26 -1.400 4.273 -2.841
190 HA LYS 26 HA LYS 26 -1.974 2.218 -2.307
191 HB2 LYS 26 HB2 LYS 26 -3.090 1.936 -5.100
192 HB3 LYS 26 HB1 LYS 26 -3.343 0.816 -3.777
193 HG2 LYS 26 HG2 LYS 26 -4.332 3.649 -3.955
194 HG3 LYS 26 HG1 LYS 26 -5.297 2.171 -3.904
195 HD2 LYS 26 HD2 LYS 26 -4.324 1.706 -1.658
196 HD3 LYS 26 HD1 LYS 26 -3.537 3.275 -1.751
197 HE2 LYS 26 HE2 LYS 26 -5.729 4.366 -1.943
198 HE3 LYS 26 HE1 LYS 26 -6.516 2.791 -1.813
199 HZ1 LYS 26 HZ1 LYS 26 -6.497 3.902 0.320
200 HZ2 LYS 26 HZ2 LYS 26 -4.842 4.108 0.232
201 HZ3 LYS 26 HZ3 LYS 26 -5.471 2.549 0.395
202 H TYR 27 H TYR 27 0.479 2.881 -3.256
203 HA TYR 27 HA TYR 27 1.407 0.208 -3.678
204 HB2 TYR 27 HB2 TYR 27 2.876 0.566 -5.585
205 HB3 TYR 27 HB1 TYR 27 1.208 0.783 -6.036
206 HD1 TYR 27 HD1 TYR 27 4.380 2.557 -5.287
207 HD2 TYR 27 HD2 TYR 27 0.537 2.828 -7.075
208 HE1 TYR 27 HE1 TYR 27 5.033 4.674 -6.338
209 HE2 TYR 27 HE2 TYR 27 1.177 4.955 -8.117
210 HH TYR 27 HH TYR 27 4.371 6.027 -8.280
211 H CYS 28 H CYS 28 3.594 -0.092 -3.514
212 HA CYS 28 HA CYS 28 4.650 1.448 -1.342
213 HB2 CYS 28 HB2 CYS 28 5.965 -0.804 -2.875
214 HB3 CYS 28 HB1 CYS 28 6.443 -0.178 -1.306
215 H ALA 29 H ALA 29 6.079 2.996 -1.404
216 HA ALA 29 HA ALA 29 7.621 3.518 -3.853
217 HB1 ALA 29 HB1 ALA 29 7.467 5.916 -3.271
218 HB2 ALA 29 HB2 ALA 29 6.418 5.509 -1.916
219 HB3 ALA 29 HB3 ALA 29 5.875 5.222 -3.570
220 H TRP 30 H TRP 30 9.509 5.259 -2.882
221 HA TRP 30 HA TRP 30 10.964 3.474 -1.189
222 HB2 TRP 30 HB2 TRP 30 11.740 6.147 -2.314
223 HB3 TRP 30 HB1 TRP 30 12.791 5.168 -1.317
224 HD1 TRP 30 HD TRP 30 11.877 5.745 -4.745
225 HE1 TRP 30 HE1 TRP 30 12.925 3.909 -6.289
226 HE3 TRP 30 HE3 TRP 30 13.093 2.565 -1.218
227 HZ2 TRP 30 HZ2 TRP 30 14.110 1.332 -5.924
228 HZ3 TRP 30 HZ3 TRP 30 14.196 0.353 -1.766
229 HH2 TRP 30 HH TRP 30 14.679 -0.222 -4.086
230 H ASP 31 H ASP 31 8.613 5.387 -0.265
231 HA ASP 31 HA ASP 31 9.393 5.601 2.379
232 HB2 ASP 31 HB2 ASP 31 9.438 7.976 2.608
233 HB3 ASP 31 HB1 ASP 31 10.556 7.514 1.325
234 H PHE 32 H PHE 32 7.603 6.898 3.345
235 HA PHE 32 HA PHE 32 5.122 6.363 1.889
236 HB2 PHE 32 HB2 PHE 32 3.960 5.817 4.011
237 HB3 PHE 32 HB1 PHE 32 5.244 4.692 3.641
238 HD1 PHE 32 HD1 PHE 32 7.553 5.234 4.859
239 HD2 PHE 32 HD2 PHE 32 3.748 6.635 6.120
240 HE1 PHE 32 HE1 PHE 32 8.423 5.555 7.141
241 HE2 PHE 32 HE2 PHE 32 4.612 6.971 8.386
242 HZ PHE 32 HZ PHE 32 6.954 6.432 8.902
243 H THR 33 H THR 33 6.500 8.454 4.424
244 HA THR 33 HA THR 33 4.439 10.396 3.656
245 HB THR 33 HB THR 33 4.874 11.341 5.999
246 HG1 THR 33 HG1 THR 33 6.776 9.940 6.317
247 HG21 THR 33 HG21 THR 33 3.555 8.636 5.673
248 HG22 THR 33 HG22 THR 33 2.790 10.197 5.388
249 HG23 THR 33 HG23 THR 33 3.286 9.740 7.019
250 H PHE 34 H PHE 34 7.577 9.885 3.072
251 HA PHE 34 HA PHE 34 8.603 12.446 3.885
252 HB2 PHE 34 HB2 PHE 34 10.087 10.455 3.805
253 HB3 PHE 34 HB1 PHE 34 9.853 10.367 2.064
254 HD1 PHE 34 HD1 PHE 34 11.279 11.546 0.631
255 HD2 PHE 34 HD2 PHE 34 11.156 12.555 4.761
256 HE1 PHE 34 HE1 PHE 34 13.201 13.046 0.317
257 HE2 PHE 34 HE2 PHE 34 13.081 14.055 4.456
258 HZ PHE 34 HZ PHE 34 14.105 14.301 2.230
259 H THR 35 H THR 35 7.889 10.910 0.792
260 HA THR 35 HA THR 35 7.990 13.527 -0.498
261 HB THR 35 HB THR 35 7.589 12.194 -2.611
262 HG1 THR 35 HG1 THR 35 8.280 9.876 -1.166
263 HG21 THR 35 HG21 THR 35 9.857 11.253 -2.681
264 HG22 THR 35 HG22 THR 35 9.959 11.386 -0.927
265 HG23 THR 35 HG23 THR 35 9.854 12.845 -1.916
Start of MODEL 15
1 H1 ASP 1 HT1 ASP 1 5.898 -12.391 1.348
2 H2 ASP 1 HT2 ASP 1 6.864 -12.141 2.685
3 H3 ASP 1 HT3 ASP 1 7.234 -13.389 1.601
4 HA ASP 1 HA ASP 1 8.696 -11.474 1.313
5 HB2 ASP 1 HB2 ASP 1 6.697 -11.856 -0.943
6 HB3 ASP 1 HB1 ASP 1 8.273 -11.096 -1.117
7 H CYS 2 H CYS 2 8.587 -9.161 0.089
8 HA CYS 2 HA CYS 2 6.240 -7.768 1.106
9 HB2 CYS 2 HB2 CYS 2 7.760 -5.899 1.322
10 HB3 CYS 2 HB1 CYS 2 7.993 -7.142 2.539
11 H ARG 3 H ARG 3 5.840 -5.871 0.034
12 HA ARG 3 HA ARG 3 6.259 -6.199 -2.816
13 HB2 ARG 3 HB2 ARG 3 4.567 -4.254 -1.282
14 HB3 ARG 3 HB1 ARG 3 4.848 -4.062 -2.992
15 HG2 ARG 3 HG2 ARG 3 2.785 -5.120 -2.882
16 HG3 ARG 3 HG1 ARG 3 3.892 -6.458 -3.176
17 HD2 ARG 3 HD2 ARG 3 3.908 -6.932 -0.766
18 HD3 ARG 3 HD1 ARG 3 2.783 -5.573 -0.562
19 HE ARG 3 HE ARG 3 1.705 -7.277 -2.431
20 HH11 ARG 3 HH11 ARG 3 2.424 -7.397 1.050
21 HH12 ARG 3 HH12 ARG 3 1.119 -8.403 1.434
22 HH21 ARG 3 HH21 ARG 3 -0.040 -8.680 -1.941
23 HH22 ARG 3 HH22 ARG 3 -0.324 -9.207 -0.349
24 H TYR 4 H TYR 4 7.633 -5.109 -4.037
25 HA TYR 4 HA TYR 4 9.270 -3.176 -2.767
26 HB2 TYR 4 HB2 TYR 4 9.330 -4.627 -5.411
27 HB3 TYR 4 HB1 TYR 4 10.480 -3.392 -4.930
28 HD1 TYR 4 HD1 TYR 4 11.812 -3.800 -2.717
29 HD2 TYR 4 HD2 TYR 4 9.701 -6.871 -4.811
30 HE1 TYR 4 HE1 TYR 4 13.133 -5.476 -1.586
31 HE2 TYR 4 HE2 TYR 4 11.044 -8.564 -3.633
32 HH TYR 4 HH TYR 4 13.010 -7.705 -0.951
33 H MET 5 H MET 5 9.759 -1.724 -5.221
34 HA MET 5 HA MET 5 7.704 0.179 -4.761
35 HB2 MET 5 HB2 MET 5 10.190 0.557 -5.502
36 HB3 MET 5 HB1 MET 5 9.551 0.293 -7.109
37 HG2 MET 5 HG2 MET 5 7.965 2.130 -6.760
38 HG3 MET 5 HG1 MET 5 8.666 2.380 -5.161
39 HE1 MET 5 HE1 MET 5 9.509 4.747 -5.288
40 HE2 MET 5 HE2 MET 5 8.463 4.850 -6.713
41 HE3 MET 5 HE3 MET 5 10.111 5.507 -6.759
42 H PHE 6 H PHE 6 5.982 0.652 -5.797
43 HA PHE 6 HA PHE 6 4.236 0.614 -7.163
44 HB2 PHE 6 HB2 PHE 6 5.990 -0.858 -9.153
45 HB3 PHE 6 HB1 PHE 6 4.378 -0.242 -9.504
46 HD1 PHE 6 HD1 PHE 6 3.978 2.191 -9.593
47 HD2 PHE 6 HD2 PHE 6 7.871 0.582 -9.043
48 HE1 PHE 6 HE1 PHE 6 4.959 4.369 -10.175
49 HE2 PHE 6 HE2 PHE 6 8.862 2.728 -9.603
50 HZ PHE 6 HZ PHE 6 7.406 4.649 -10.187
51 H GLY 7 H GLY 7 5.347 -1.864 -5.522
52 HA2 GLY 7 HA2 GLY 7 3.451 -3.879 -6.307
53 HA3 GLY 7 HA1 GLY 7 4.390 -3.855 -4.820
54 H ASP 8 H ASP 8 1.606 -4.457 -4.798
55 HA ASP 8 HA ASP 8 0.258 -1.925 -4.247
56 HB2 ASP 8 HB2 ASP 8 -0.780 -3.466 -5.619
57 HB3 ASP 8 HB1 ASP 8 -0.854 -4.737 -4.390
58 H CYS 9 H CYS 9 -0.570 -1.377 -2.355
59 HA CYS 9 HA CYS 9 -0.001 -3.146 -0.146
60 HB2 CYS 9 HB2 CYS 9 1.307 -1.466 1.002
61 HB3 CYS 9 HB1 CYS 9 1.919 -1.854 -0.625
62 H GLU 10 H GLU 10 -1.247 -2.747 1.638
63 HA GLU 10 HA GLU 10 -3.353 -0.734 1.323
64 HB2 GLU 10 HB2 GLU 10 -3.285 -3.213 3.040
65 HB3 GLU 10 HB1 GLU 10 -4.669 -2.164 2.768
66 HG2 GLU 10 HG2 GLU 10 -4.799 -2.818 0.460
67 HG3 GLU 10 HG1 GLU 10 -3.304 -3.739 0.598
68 H LYS 11 H LYS 11 -0.780 -2.068 3.270
69 HA LYS 11 HA LYS 11 -0.763 0.297 4.908
70 HB2 LYS 11 HB2 LYS 11 -0.122 -1.304 6.834
71 HB3 LYS 11 HB1 LYS 11 -1.825 -1.148 6.436
72 HG2 LYS 11 HG2 LYS 11 -1.680 -3.231 5.127
73 HG3 LYS 11 HG1 LYS 11 0.012 -3.387 5.590
74 HD2 LYS 11 HD2 LYS 11 -0.576 -3.642 7.892
75 HD3 LYS 11 HD1 LYS 11 -2.259 -3.236 7.556
76 HE2 LYS 11 HE2 LYS 11 -1.920 -5.654 7.887
77 HE3 LYS 11 HE1 LYS 11 -2.540 -5.285 6.289
78 HZ1 LYS 11 HZ1 LYS 11 -0.841 -6.935 6.195
79 HZ2 LYS 11 HZ2 LYS 11 0.274 -5.963 6.977
80 HZ3 LYS 11 HZ3 LYS 11 -0.267 -5.566 5.412
81 H ASP 12 H ASP 12 1.383 0.302 6.092
82 HA ASP 12 HA ASP 12 3.352 0.242 4.007
83 HB2 ASP 12 HB2 ASP 12 3.859 0.723 6.944
84 HB3 ASP 12 HB1 ASP 12 4.902 1.174 5.603
85 H GLU 13 H GLU 13 2.318 -1.949 6.248
86 HA GLU 13 HA GLU 13 4.743 -3.354 6.843
87 HB2 GLU 13 HB2 GLU 13 1.940 -4.364 6.866
88 HB3 GLU 13 HB1 GLU 13 3.300 -5.062 7.725
89 HG2 GLU 13 HG2 GLU 13 3.484 -2.921 9.021
90 HG3 GLU 13 HG1 GLU 13 1.969 -2.415 8.276
91 H ASP 14 H ASP 14 2.605 -3.213 4.227
92 HA ASP 14 HA ASP 14 3.035 -5.881 3.273
93 HB2 ASP 14 HB2 ASP 14 1.840 -3.566 1.713
94 HB3 ASP 14 HB1 ASP 14 1.696 -5.302 1.437
95 H CYS 15 H CYS 15 4.485 -2.808 2.994
96 HA CYS 15 HA CYS 15 5.989 -3.522 0.608
97 HB2 CYS 15 HB2 CYS 15 6.204 -1.002 2.258
98 HB3 CYS 15 HB1 CYS 15 6.777 -1.287 0.633
99 H CYS 16 H CYS 16 8.291 -3.399 0.685
100 HA CYS 16 HA CYS 16 9.476 -4.695 2.825
101 HB2 CYS 16 HB2 CYS 16 10.824 -3.040 0.727
102 HB3 CYS 16 HB1 CYS 16 11.528 -4.351 1.592
103 H LYS 17 H LYS 17 11.646 -3.672 3.666
104 HA LYS 17 HA LYS 17 10.700 -1.798 5.627
105 HB2 LYS 17 HB2 LYS 17 13.504 -2.815 5.355
106 HB3 LYS 17 HB1 LYS 17 12.680 -2.235 6.798
107 HG2 LYS 17 HG2 LYS 17 11.047 -4.103 6.396
108 HG3 LYS 17 HG1 LYS 17 12.224 -4.760 5.288
109 HD2 LYS 17 HD2 LYS 17 12.663 -5.842 7.339
110 HD3 LYS 17 HD1 LYS 17 13.923 -4.615 7.104
111 HE2 LYS 17 HE2 LYS 17 12.743 -3.106 8.635
112 HE3 LYS 17 HE1 LYS 17 11.475 -4.308 8.846
113 HZ1 LYS 17 HZ1 LYS 17 12.986 -4.394 10.677
114 HZ2 LYS 17 HZ2 LYS 17 14.313 -4.595 9.640
115 HZ3 LYS 17 HZ3 LYS 17 13.147 -5.807 9.765
116 H HIS 18 H HIS 18 12.865 -1.838 3.022
117 HA HIS 18 HA HIS 18 13.854 0.861 3.439
118 HB2 HIS 18 HB2 HIS 18 14.229 -0.938 1.016
119 HB3 HIS 18 HB1 HIS 18 15.004 0.616 1.250
120 HD1 HIS 18 HD1 HIS 18 15.978 -2.701 1.375
121 HD2 HIS 18 HD2 HIS 18 16.310 0.422 4.095
122 HE1 HIS 18 HE1 HIS 18 17.904 -3.290 2.897
123 H LEU 19 H LEU 19 10.920 -0.026 2.636
124 HA LEU 19 HA LEU 19 10.509 2.232 0.832
125 HB2 LEU 19 HB2 LEU 19 9.368 -0.539 0.545
126 HB3 LEU 19 HB1 LEU 19 8.648 0.847 -0.231
127 HG LEU 19 HG LEU 19 11.174 1.046 -1.165
128 HD11 LEU 19 HD11 LEU 19 11.949 -0.978 -0.040
129 HD12 LEU 19 HD12 LEU 19 12.005 -1.097 -1.806
130 HD13 LEU 19 HD13 LEU 19 10.715 -1.900 -0.922
131 HD21 LEU 19 HD21 LEU 19 10.364 -0.015 -3.196
132 HD22 LEU 19 HD22 LEU 19 9.176 1.084 -2.494
133 HD23 LEU 19 HD23 LEU 19 8.988 -0.660 -2.302
134 H GLY 20 H GLY 20 8.009 2.491 0.645
135 HA2 GLY 20 HA2 GLY 20 6.688 2.033 3.193
136 HA3 GLY 20 HA1 GLY 20 6.937 3.703 2.657
137 H CYS 21 H CYS 21 4.348 2.690 2.991
138 HA CYS 21 HA CYS 21 3.503 1.993 0.307
139 HB2 CYS 21 HB2 CYS 21 2.662 0.597 2.097
140 HB3 CYS 21 HB1 CYS 21 2.049 1.992 2.976
141 H LYS 22 H LYS 22 2.872 3.638 -0.996
142 HA LYS 22 HA LYS 22 2.092 6.124 0.238
143 HB2 LYS 22 HB2 LYS 22 2.171 5.269 -2.655
144 HB3 LYS 22 HB1 LYS 22 1.562 6.830 -2.134
145 HG2 LYS 22 HG2 LYS 22 4.211 5.735 -1.584
146 HG3 LYS 22 HG1 LYS 22 3.879 6.869 -2.933
147 HD2 LYS 22 HD2 LYS 22 3.213 8.560 -1.240
148 HD3 LYS 22 HD1 LYS 22 3.559 7.412 0.051
149 HE2 LYS 22 HE2 LYS 22 5.911 7.358 -0.649
150 HE3 LYS 22 HE1 LYS 22 5.552 8.540 -1.905
151 HZ1 LYS 22 HZ1 LYS 22 5.107 9.040 0.986
152 HZ2 LYS 22 HZ2 LYS 22 5.079 10.181 -0.252
153 HZ3 LYS 22 HZ3 LYS 22 6.528 9.430 0.194
154 H ARG 23 H ARG 23 0.325 6.213 1.096
155 HA ARG 23 HA ARG 23 -1.679 4.260 0.562
156 HB2 ARG 23 HB2 ARG 23 -1.921 6.644 2.410
157 HB3 ARG 23 HB1 ARG 23 -2.938 5.221 2.402
158 HG2 ARG 23 HG2 ARG 23 -1.587 4.777 4.227
159 HG3 ARG 23 HG1 ARG 23 -0.671 3.983 2.950
160 HD2 ARG 23 HD2 ARG 23 0.825 5.864 2.774
161 HD3 ARG 23 HD1 ARG 23 -0.156 6.797 3.905
162 HE ARG 23 HE ARG 23 1.356 4.368 4.618
163 HH11 ARG 23 HH11 ARG 23 0.373 7.694 5.325
164 HH12 ARG 23 HH12 ARG 23 1.175 7.778 6.821
165 HH21 ARG 23 HH21 ARG 23 2.403 4.449 6.702
166 HH22 ARG 23 HH22 ARG 23 2.361 5.882 7.637
167 H LYS 24 H LYS 24 -0.867 6.984 -1.001
168 HA LYS 24 HA LYS 24 -3.623 7.848 -1.482
169 HB2 LYS 24 HB2 LYS 24 -1.900 9.577 -1.191
170 HB3 LYS 24 HB1 LYS 24 -1.003 8.892 -2.536
171 HG2 LYS 24 HG2 LYS 24 -2.696 9.558 -4.089
172 HG3 LYS 24 HG1 LYS 24 -3.756 10.084 -2.781
173 HD2 LYS 24 HD2 LYS 24 -2.636 11.995 -3.829
174 HD3 LYS 24 HD1 LYS 24 -2.136 11.795 -2.150
175 HE2 LYS 24 HE2 LYS 24 -0.087 10.659 -2.916
176 HE3 LYS 24 HE1 LYS 24 -0.596 10.906 -4.585
177 HZ1 LYS 24 HZ1 LYS 24 -0.477 13.295 -4.208
178 HZ2 LYS 24 HZ2 LYS 24 0.995 12.561 -3.870
179 HZ3 LYS 24 HZ3 LYS 24 -0.014 13.033 -2.611
180 H MET 25 H MET 25 -1.049 6.090 -2.841
181 HA MET 25 HA MET 25 -2.521 5.790 -5.354
182 HB2 MET 25 HB2 MET 25 0.412 5.691 -4.771
183 HB3 MET 25 HB1 MET 25 -0.274 5.117 -6.266
184 HG2 MET 25 HG2 MET 25 -0.376 7.929 -5.185
185 HG3 MET 25 HG1 MET 25 0.572 7.360 -6.557
186 HE1 MET 25 HE1 MET 25 -2.324 6.458 -9.124
187 HE2 MET 25 HE2 MET 25 -1.639 5.366 -7.924
188 HE3 MET 25 HE3 MET 25 -0.582 6.432 -8.850
189 H LYS 26 H LYS 26 -1.588 4.227 -2.576
190 HA LYS 26 HA LYS 26 -1.704 2.164 -1.789
191 HB2 LYS 26 HB2 LYS 26 -3.373 1.639 -4.253
192 HB3 LYS 26 HB1 LYS 26 -3.226 0.541 -2.886
193 HG2 LYS 26 HG2 LYS 26 -4.403 3.311 -2.860
194 HG3 LYS 26 HG1 LYS 26 -5.271 1.782 -2.670
195 HD2 LYS 26 HD2 LYS 26 -4.014 1.348 -0.599
196 HD3 LYS 26 HD1 LYS 26 -3.152 2.863 -0.845
197 HE2 LYS 26 HE2 LYS 26 -4.962 3.093 0.815
198 HE3 LYS 26 HE1 LYS 26 -5.176 4.139 -0.582
199 HZ1 LYS 26 HZ1 LYS 26 -7.230 3.094 0.081
200 HZ2 LYS 26 HZ2 LYS 26 -6.570 1.556 -0.129
201 HZ3 LYS 26 HZ3 LYS 26 -6.793 2.571 -1.457
202 H TYR 27 H TYR 27 0.489 2.861 -3.075
203 HA TYR 27 HA TYR 27 1.439 0.202 -3.571
204 HB2 TYR 27 HB2 TYR 27 2.710 0.528 -5.585
205 HB3 TYR 27 HB1 TYR 27 1.030 0.849 -5.905
206 HD1 TYR 27 HD1 TYR 27 0.481 2.838 -7.042
207 HD2 TYR 27 HD2 TYR 27 4.295 2.530 -5.217
208 HE1 TYR 27 HE1 TYR 27 1.182 4.918 -8.153
209 HE2 TYR 27 HE2 TYR 27 5.005 4.601 -6.303
210 HH TYR 27 HH TYR 27 4.447 5.918 -8.223
211 H CYS 28 H CYS 28 3.685 -0.029 -3.654
212 HA CYS 28 HA CYS 28 4.727 1.475 -1.442
213 HB2 CYS 28 HB2 CYS 28 6.033 -0.770 -2.972
214 HB3 CYS 28 HB1 CYS 28 6.475 -0.160 -1.384
215 H ALA 29 H ALA 29 6.123 2.999 -1.507
216 HA ALA 29 HA ALA 29 7.679 3.520 -3.939
217 HB1 ALA 29 HB1 ALA 29 5.941 5.241 -3.615
218 HB2 ALA 29 HB2 ALA 29 7.549 5.910 -3.376
219 HB3 ALA 29 HB3 ALA 29 6.537 5.534 -1.978
220 H TRP 30 H TRP 30 9.556 5.275 -2.839
221 HA TRP 30 HA TRP 30 10.934 3.360 -1.186
222 HB2 TRP 30 HB2 TRP 30 11.859 5.978 -2.346
223 HB3 TRP 30 HB1 TRP 30 12.848 4.963 -1.313
224 HD1 TRP 30 HD TRP 30 11.850 5.406 -4.811
225 HE1 TRP 30 HE1 TRP 30 12.852 3.482 -6.255
226 HE3 TRP 30 HE3 TRP 30 13.217 2.470 -1.129
227 HZ2 TRP 30 HZ2 TRP 30 14.088 0.954 -5.777
228 HZ3 TRP 30 HZ3 TRP 30 14.330 0.238 -1.572
229 HH2 TRP 30 HH TRP 30 14.739 -0.479 -3.860
230 H ASP 31 H ASP 31 8.662 5.286 -0.260
231 HA ASP 31 HA ASP 31 9.385 5.363 2.405
232 HB2 ASP 31 HB2 ASP 31 9.437 7.753 2.753
233 HB3 ASP 31 HB1 ASP 31 10.650 7.338 1.540
234 H PHE 32 H PHE 32 7.607 6.335 3.473
235 HA PHE 32 HA PHE 32 5.136 6.272 1.904
236 HB2 PHE 32 HB2 PHE 32 3.918 5.707 4.066
237 HB3 PHE 32 HB1 PHE 32 4.948 4.449 3.422
238 HD1 PHE 32 HD1 PHE 32 4.434 6.824 6.161
239 HD2 PHE 32 HD2 PHE 32 6.936 3.743 4.640
240 HE1 PHE 32 HE1 PHE 32 5.496 6.586 8.368
241 HE2 PHE 32 HE2 PHE 32 7.997 3.515 6.830
242 HZ PHE 32 HZ PHE 32 7.279 4.937 8.703
243 H THR 33 H THR 33 6.554 7.778 4.754
244 HA THR 33 HA THR 33 5.499 10.335 3.973
245 HB THR 33 HB THR 33 4.958 9.087 6.700
246 HG1 THR 33 HG1 THR 33 2.775 9.259 6.117
247 HG21 THR 33 HG21 THR 33 4.231 11.815 5.622
248 HG22 THR 33 HG22 THR 33 5.450 11.477 6.851
249 HG23 THR 33 HG23 THR 33 3.746 11.167 7.189
250 H PHE 34 H PHE 34 7.434 11.295 3.875
251 HA PHE 34 HA PHE 34 9.612 10.447 5.502
252 HB2 PHE 34 HB2 PHE 34 9.971 11.242 3.193
253 HB3 PHE 34 HB1 PHE 34 9.399 12.837 3.663
254 HD1 PHE 34 HD1 PHE 34 10.864 14.412 4.615
255 HD2 PHE 34 HD2 PHE 34 12.094 10.366 4.208
256 HE1 PHE 34 HE1 PHE 34 13.161 15.058 5.211
257 HE2 PHE 34 HE2 PHE 34 14.395 10.998 4.805
258 HZ PHE 34 HZ PHE 34 14.930 13.349 5.308
259 H THR 35 H THR 35 9.367 10.812 7.580
260 HA THR 35 HA THR 35 8.785 13.534 8.484
261 HB THR 35 HB THR 35 8.983 10.969 10.095
262 HG1 THR 35 HG1 THR 35 6.860 12.277 8.773
263 HG21 THR 35 HG21 THR 35 7.846 12.266 11.844
264 HG22 THR 35 HG22 THR 35 7.838 13.682 10.795
265 HG23 THR 35 HG23 THR 35 9.367 13.041 11.394
Start of MODEL 16
1 H1 ASP 1 HT1 ASP 1 6.022 -11.753 3.199
2 H2 ASP 1 HT2 ASP 1 7.478 -11.012 3.450
3 H3 ASP 1 HT3 ASP 1 7.447 -12.671 3.129
4 HA ASP 1 HA ASP 1 8.155 -11.411 1.197
5 HB2 ASP 1 HB2 ASP 1 5.346 -12.509 0.939
6 HB3 ASP 1 HB1 ASP 1 6.375 -12.090 -0.425
7 H CYS 2 H CYS 2 8.371 -9.303 1.046
8 HA CYS 2 HA CYS 2 6.031 -7.629 1.350
9 HB2 CYS 2 HB2 CYS 2 7.699 -5.865 1.372
10 HB3 CYS 2 HB1 CYS 2 7.811 -7.000 2.703
11 H ARG 3 H ARG 3 5.775 -5.925 0.040
12 HA ARG 3 HA ARG 3 6.171 -6.522 -2.780
13 HB2 ARG 3 HB2 ARG 3 4.545 -4.388 -1.391
14 HB3 ARG 3 HB1 ARG 3 4.585 -4.640 -3.132
15 HG2 ARG 3 HG2 ARG 3 3.556 -6.578 -1.063
16 HG3 ARG 3 HG1 ARG 3 2.581 -5.592 -2.155
17 HD2 ARG 3 HD2 ARG 3 3.532 -6.762 -4.077
18 HD3 ARG 3 HD1 ARG 3 4.556 -7.708 -3.000
19 HE ARG 3 HE ARG 3 1.805 -7.946 -2.358
20 HH11 ARG 3 HH11 ARG 3 4.271 -9.152 -4.640
21 HH12 ARG 3 HH12 ARG 3 3.532 -10.657 -4.853
22 HH21 ARG 3 HH21 ARG 3 0.824 -10.056 -2.656
23 HH22 ARG 3 HH22 ARG 3 1.528 -11.185 -3.721
24 H TYR 4 H TYR 4 7.472 -5.355 -4.096
25 HA TYR 4 HA TYR 4 9.238 -3.546 -2.854
26 HB2 TYR 4 HB2 TYR 4 9.022 -4.728 -5.599
27 HB3 TYR 4 HB1 TYR 4 10.249 -3.591 -5.113
28 HD1 TYR 4 HD1 TYR 4 11.407 -4.310 -2.707
29 HD2 TYR 4 HD2 TYR 4 9.718 -6.951 -5.607
30 HE1 TYR 4 HE1 TYR 4 12.808 -6.078 -1.884
31 HE2 TYR 4 HE2 TYR 4 11.132 -8.767 -4.757
32 HH TYR 4 HH TYR 4 12.821 -8.491 -1.819
33 H MET 5 H MET 5 9.744 -1.871 -5.037
34 HA MET 5 HA MET 5 7.767 0.093 -4.476
35 HB2 MET 5 HB2 MET 5 10.292 0.435 -5.165
36 HB3 MET 5 HB1 MET 5 9.649 0.308 -6.793
37 HG2 MET 5 HG2 MET 5 8.102 2.126 -6.319
38 HG3 MET 5 HG1 MET 5 8.796 2.257 -4.704
39 HE1 MET 5 HE1 MET 5 8.536 4.770 -6.239
40 HE2 MET 5 HE2 MET 5 10.160 5.470 -6.198
41 HE3 MET 5 HE3 MET 5 9.516 4.679 -4.765
42 H PHE 6 H PHE 6 6.116 0.755 -5.572
43 HA PHE 6 HA PHE 6 4.454 0.904 -7.013
44 HB2 PHE 6 HB2 PHE 6 6.215 -0.575 -8.984
45 HB3 PHE 6 HB1 PHE 6 4.657 0.144 -9.386
46 HD1 PHE 6 HD1 PHE 6 4.387 2.621 -9.210
47 HD2 PHE 6 HD2 PHE 6 8.160 0.709 -8.865
48 HE1 PHE 6 HE1 PHE 6 5.510 4.767 -9.616
49 HE2 PHE 6 HE2 PHE 6 9.293 2.819 -9.253
50 HZ PHE 6 HZ PHE 6 7.967 4.883 -9.646
51 H GLY 7 H GLY 7 5.258 -1.642 -5.390
52 HA2 GLY 7 HA2 GLY 7 3.275 -3.477 -6.434
53 HA3 GLY 7 HA1 GLY 7 4.261 -3.690 -4.985
54 H ASP 8 H ASP 8 1.343 -3.919 -5.436
55 HA ASP 8 HA ASP 8 -0.114 -1.761 -4.381
56 HB2 ASP 8 HB2 ASP 8 -1.078 -3.455 -5.579
57 HB3 ASP 8 HB1 ASP 8 -0.699 -4.711 -4.391
58 H CYS 9 H CYS 9 -0.845 -1.256 -2.390
59 HA CYS 9 HA CYS 9 -0.034 -2.939 -0.151
60 HB2 CYS 9 HB2 CYS 9 1.426 -1.346 0.879
61 HB3 CYS 9 HB1 CYS 9 1.862 -1.612 -0.824
62 H GLU 10 H GLU 10 -1.088 -2.548 1.794
63 HA GLU 10 HA GLU 10 -3.193 -0.485 1.823
64 HB2 GLU 10 HB2 GLU 10 -2.863 -3.093 3.291
65 HB3 GLU 10 HB1 GLU 10 -3.857 -1.826 3.969
66 HG2 GLU 10 HG2 GLU 10 -5.193 -3.478 2.820
67 HG3 GLU 10 HG1 GLU 10 -5.305 -1.916 2.024
68 H LYS 11 H LYS 11 -0.422 -1.846 3.493
69 HA LYS 11 HA LYS 11 -0.291 0.502 5.191
70 HB2 LYS 11 HB2 LYS 11 0.117 -0.872 7.105
71 HB3 LYS 11 HB1 LYS 11 -1.408 -1.322 6.407
72 HG2 LYS 11 HG2 LYS 11 0.075 -3.138 5.177
73 HG3 LYS 11 HG1 LYS 11 1.151 -2.815 6.531
74 HD2 LYS 11 HD2 LYS 11 -0.167 -4.638 7.184
75 HD3 LYS 11 HD1 LYS 11 -0.823 -3.238 8.036
76 HE2 LYS 11 HE2 LYS 11 -2.633 -4.588 7.116
77 HE3 LYS 11 HE1 LYS 11 -2.573 -3.025 6.306
78 HZ1 LYS 11 HZ1 LYS 11 -2.870 -4.770 4.692
79 HZ2 LYS 11 HZ2 LYS 11 -1.558 -5.609 5.268
80 HZ3 LYS 11 HZ3 LYS 11 -1.313 -4.161 4.453
81 H ASP 12 H ASP 12 1.919 0.151 6.372
82 HA ASP 12 HA ASP 12 3.828 0.180 4.182
83 HB2 ASP 12 HB2 ASP 12 4.356 0.550 7.135
84 HB3 ASP 12 HB1 ASP 12 5.570 0.729 5.876
85 H GLU 13 H GLU 13 2.759 -2.072 6.336
86 HA GLU 13 HA GLU 13 5.047 -3.790 6.568
87 HB2 GLU 13 HB2 GLU 13 2.172 -4.481 6.758
88 HB3 GLU 13 HB1 GLU 13 3.494 -5.441 7.362
89 HG2 GLU 13 HG2 GLU 13 2.740 -2.699 8.404
90 HG3 GLU 13 HG1 GLU 13 2.456 -4.237 9.218
91 H ASP 14 H ASP 14 2.620 -3.275 4.202
92 HA ASP 14 HA ASP 14 2.832 -5.854 3.022
93 HB2 ASP 14 HB2 ASP 14 1.768 -3.288 1.763
94 HB3 ASP 14 HB1 ASP 14 1.676 -4.942 1.156
95 H CYS 15 H CYS 15 4.505 -2.890 2.891
96 HA CYS 15 HA CYS 15 6.016 -3.523 0.493
97 HB2 CYS 15 HB2 CYS 15 6.290 -1.199 2.385
98 HB3 CYS 15 HB1 CYS 15 6.902 -1.329 0.743
99 H CYS 16 H CYS 16 8.379 -3.448 0.634
100 HA CYS 16 HA CYS 16 9.460 -4.850 2.794
101 HB2 CYS 16 HB2 CYS 16 10.875 -3.319 0.624
102 HB3 CYS 16 HB1 CYS 16 11.565 -4.551 1.597
103 H LYS 17 H LYS 17 11.714 -3.833 3.582
104 HA LYS 17 HA LYS 17 10.772 -2.076 5.642
105 HB2 LYS 17 HB2 LYS 17 13.592 -2.923 5.075
106 HB3 LYS 17 HB1 LYS 17 12.970 -2.255 6.577
107 HG2 LYS 17 HG2 LYS 17 12.204 -4.871 5.343
108 HG3 LYS 17 HG1 LYS 17 13.281 -4.592 6.715
109 HD2 LYS 17 HD2 LYS 17 11.410 -3.701 8.009
110 HD3 LYS 17 HD1 LYS 17 10.353 -3.806 6.605
111 HE2 LYS 17 HE2 LYS 17 10.703 -6.288 6.628
112 HE3 LYS 17 HE1 LYS 17 11.554 -6.089 8.160
113 HZ1 LYS 17 HZ1 LYS 17 9.196 -6.654 8.485
114 HZ2 LYS 17 HZ2 LYS 17 8.762 -5.276 7.626
115 HZ3 LYS 17 HZ3 LYS 17 9.546 -5.117 9.105
116 H HIS 18 H HIS 18 13.163 -1.775 3.226
117 HA HIS 18 HA HIS 18 13.610 1.027 3.719
118 HB2 HIS 18 HB2 HIS 18 14.579 -0.696 1.425
119 HB3 HIS 18 HB1 HIS 18 15.049 0.976 1.670
120 HD1 HIS 18 HD1 HIS 18 16.011 -2.426 2.606
121 HD2 HIS 18 HD2 HIS 18 16.482 1.394 4.168
122 HE1 HIS 18 HE1 HIS 18 17.887 -2.582 4.266
123 H LEU 19 H LEU 19 10.901 -0.040 2.742
124 HA LEU 19 HA LEU 19 10.491 1.974 0.636
125 HB2 LEU 19 HB2 LEU 19 9.075 -0.682 0.983
126 HB3 LEU 19 HB1 LEU 19 8.677 0.527 -0.209
127 HG LEU 19 HG LEU 19 11.353 -0.885 -0.135
128 HD11 LEU 19 HD11 LEU 19 8.977 -1.379 -1.880
129 HD12 LEU 19 HD12 LEU 19 9.555 -2.469 -0.608
130 HD13 LEU 19 HD13 LEU 19 10.574 -2.099 -2.021
131 HD21 LEU 19 HD21 LEU 19 11.508 -0.101 -2.410
132 HD22 LEU 19 HD22 LEU 19 11.434 1.223 -1.251
133 HD23 LEU 19 HD23 LEU 19 10.006 0.804 -2.216
134 H GLY 20 H GLY 20 8.039 2.508 0.596
135 HA2 GLY 20 HA2 GLY 20 6.786 2.424 3.221
136 HA3 GLY 20 HA1 GLY 20 7.193 4.026 2.596
137 H CYS 21 H CYS 21 4.544 2.751 3.121
138 HA CYS 21 HA CYS 21 3.579 2.260 0.419
139 HB2 CYS 21 HB2 CYS 21 2.865 0.680 2.059
140 HB3 CYS 21 HB1 CYS 21 2.266 1.955 3.109
141 H LYS 22 H LYS 22 2.752 3.801 -0.808
142 HA LYS 22 HA LYS 22 1.501 6.072 0.457
143 HB2 LYS 22 HB2 LYS 22 2.379 5.487 -2.306
144 HB3 LYS 22 HB1 LYS 22 0.985 6.540 -2.118
145 HG2 LYS 22 HG2 LYS 22 3.628 6.961 -0.794
146 HG3 LYS 22 HG1 LYS 22 3.124 7.754 -2.301
147 HD2 LYS 22 HD2 LYS 22 1.108 8.603 -0.991
148 HD3 LYS 22 HD1 LYS 22 1.905 8.028 0.458
149 HE2 LYS 22 HE2 LYS 22 3.820 9.447 0.030
150 HE3 LYS 22 HE1 LYS 22 3.118 9.978 -1.491
151 HZ1 LYS 22 HZ1 LYS 22 2.087 10.582 1.247
152 HZ2 LYS 22 HZ2 LYS 22 1.288 10.971 -0.181
153 HZ3 LYS 22 HZ3 LYS 22 2.765 11.657 0.136
154 H ARG 23 H ARG 23 -0.428 5.935 1.104
155 HA ARG 23 HA ARG 23 -2.142 3.811 0.243
156 HB2 ARG 23 HB2 ARG 23 -2.610 6.089 2.161
157 HB3 ARG 23 HB1 ARG 23 -3.799 4.858 1.800
158 HG2 ARG 23 HG2 ARG 23 -2.859 4.224 3.841
159 HG3 ARG 23 HG1 ARG 23 -2.090 3.196 2.631
160 HD2 ARG 23 HD2 ARG 23 -0.069 4.507 2.734
161 HD3 ARG 23 HD1 ARG 23 -0.859 5.695 3.760
162 HE ARG 23 HE ARG 23 -1.251 3.573 5.222
163 HH11 ARG 23 HH11 ARG 23 1.825 4.477 3.675
164 HH12 ARG 23 HH12 ARG 23 2.772 3.776 4.907
165 HH21 ARG 23 HH21 ARG 23 0.106 2.663 6.876
166 HH22 ARG 23 HH22 ARG 23 1.813 2.804 6.723
167 H LYS 24 H LYS 24 -1.485 6.831 -0.837
168 HA LYS 24 HA LYS 24 -4.160 7.433 -1.820
169 HB2 LYS 24 HB2 LYS 24 -2.710 9.278 -1.025
170 HB3 LYS 24 HB1 LYS 24 -1.524 8.863 -2.252
171 HG2 LYS 24 HG2 LYS 24 -3.182 9.377 -3.994
172 HG3 LYS 24 HG1 LYS 24 -4.316 9.871 -2.740
173 HD2 LYS 24 HD2 LYS 24 -2.785 11.629 -2.042
174 HD3 LYS 24 HD1 LYS 24 -1.621 11.110 -3.267
175 HE2 LYS 24 HE2 LYS 24 -3.286 11.574 -5.009
176 HE3 LYS 24 HE1 LYS 24 -4.400 12.156 -3.773
177 HZ1 LYS 24 HZ1 LYS 24 -3.234 13.964 -4.853
178 HZ2 LYS 24 HZ2 LYS 24 -1.755 13.318 -4.424
179 HZ3 LYS 24 HZ3 LYS 24 -2.777 13.900 -3.230
180 H MET 25 H MET 25 -1.244 5.978 -2.730
181 HA MET 25 HA MET 25 -1.955 6.117 -5.564
182 HB2 MET 25 HB2 MET 25 0.747 5.528 -4.339
183 HB3 MET 25 HB1 MET 25 0.361 5.707 -6.019
184 HG2 MET 25 HG2 MET 25 0.112 7.893 -3.980
185 HG3 MET 25 HG1 MET 25 1.448 7.702 -5.110
186 HE1 MET 25 HE1 MET 25 -0.086 6.818 -7.794
187 HE2 MET 25 HE2 MET 25 1.209 8.012 -7.736
188 HE3 MET 25 HE3 MET 25 -0.310 8.395 -8.549
189 H LYS 26 H LYS 26 -1.665 4.101 -2.870
190 HA LYS 26 HA LYS 26 -1.954 1.940 -2.439
191 HB2 LYS 26 HB2 LYS 26 -3.075 1.849 -5.232
192 HB3 LYS 26 HB1 LYS 26 -3.157 0.518 -4.105
193 HG2 LYS 26 HG2 LYS 26 -4.383 3.239 -3.670
194 HG3 LYS 26 HG1 LYS 26 -5.256 1.763 -4.104
195 HD2 LYS 26 HD2 LYS 26 -3.558 2.068 -1.649
196 HD3 LYS 26 HD1 LYS 26 -5.305 2.329 -1.645
197 HE2 LYS 26 HE2 LYS 26 -5.678 0.016 -2.348
198 HE3 LYS 26 HE1 LYS 26 -3.944 -0.256 -2.472
199 HZ1 LYS 26 HZ1 LYS 26 -3.747 0.069 -0.123
200 HZ2 LYS 26 HZ2 LYS 26 -4.809 -1.174 -0.455
201 HZ3 LYS 26 HZ3 LYS 26 -5.414 0.335 0.038
202 H TYR 27 H TYR 27 0.397 2.779 -3.166
203 HA TYR 27 HA TYR 27 1.548 0.228 -3.752
204 HB2 TYR 27 HB2 TYR 27 2.996 0.714 -5.583
205 HB3 TYR 27 HB1 TYR 27 1.349 1.020 -6.065
206 HD1 TYR 27 HD1 TYR 27 0.816 3.138 -7.042
207 HD2 TYR 27 HD2 TYR 27 4.498 2.686 -4.980
208 HE1 TYR 27 HE1 TYR 27 1.560 5.334 -7.861
209 HE2 TYR 27 HE2 TYR 27 5.244 4.869 -5.788
210 HH TYR 27 HH TYR 27 4.823 6.411 -7.480
211 H CYS 28 H CYS 28 3.716 0.033 -3.555
212 HA CYS 28 HA CYS 28 4.720 1.503 -1.305
213 HB2 CYS 28 HB2 CYS 28 5.974 -0.719 -2.907
214 HB3 CYS 28 HB1 CYS 28 6.513 -0.134 -1.336
215 H ALA 29 H ALA 29 6.128 3.057 -1.356
216 HA ALA 29 HA ALA 29 7.667 3.619 -3.793
217 HB1 ALA 29 HB1 ALA 29 6.682 5.509 -1.630
218 HB2 ALA 29 HB2 ALA 29 6.026 5.383 -3.260
219 HB3 ALA 29 HB3 ALA 29 7.669 5.972 -3.021
220 H TRP 30 H TRP 30 9.686 5.204 -2.632
221 HA TRP 30 HA TRP 30 10.998 3.215 -1.039
222 HB2 TRP 30 HB2 TRP 30 11.942 5.914 -2.012
223 HB3 TRP 30 HB1 TRP 30 12.893 4.902 -0.933
224 HD1 TRP 30 HD TRP 30 12.124 5.381 -4.546
225 HE1 TRP 30 HE1 TRP 30 13.254 3.505 -5.910
226 HE3 TRP 30 HE3 TRP 30 13.421 2.466 -0.761
227 HZ2 TRP 30 HZ2 TRP 30 14.556 1.018 -5.359
228 HZ3 TRP 30 HZ3 TRP 30 14.650 0.310 -1.163
229 HH2 TRP 30 HH TRP 30 15.191 -0.374 -3.434
230 H ASP 31 H ASP 31 9.141 5.834 -0.487
231 HA ASP 31 HA ASP 31 8.813 5.436 2.231
232 HB2 ASP 31 HB2 ASP 31 11.077 6.672 2.239
233 HB3 ASP 31 HB1 ASP 31 10.236 8.041 1.522
234 H PHE 32 H PHE 32 6.972 6.563 2.724
235 HA PHE 32 HA PHE 32 5.545 7.620 0.453
236 HB2 PHE 32 HB2 PHE 32 3.602 7.861 1.990
237 HB3 PHE 32 HB1 PHE 32 4.258 6.237 1.971
238 HD1 PHE 32 HD1 PHE 32 4.080 9.364 3.933
239 HD2 PHE 32 HD2 PHE 32 4.980 5.219 3.968
240 HE1 PHE 32 HE1 PHE 32 4.153 9.409 6.391
241 HE2 PHE 32 HE2 PHE 32 5.062 5.261 6.429
242 HZ PHE 32 HZ PHE 32 4.649 7.354 7.635
243 H THR 33 H THR 33 7.578 8.792 2.809
244 HA THR 33 HA THR 33 6.483 11.439 3.017
245 HB THR 33 HB THR 33 9.225 10.544 3.883
246 HG1 THR 33 HG1 THR 33 7.967 9.007 4.733
247 HG21 THR 33 HG21 THR 33 7.211 12.478 5.055
248 HG22 THR 33 HG22 THR 33 8.636 12.930 4.122
249 HG23 THR 33 HG23 THR 33 8.822 12.156 5.696
250 H PHE 34 H PHE 34 6.534 12.137 0.848
251 HA PHE 34 HA PHE 34 9.086 12.303 -0.528
252 HB2 PHE 34 HB2 PHE 34 6.300 13.143 -1.341
253 HB3 PHE 34 HB1 PHE 34 7.721 13.463 -2.319
254 HD1 PHE 34 HD1 PHE 34 8.762 11.728 -3.585
255 HD2 PHE 34 HD2 PHE 34 5.484 10.854 -1.025
256 HE1 PHE 34 HE1 PHE 34 8.509 9.539 -4.668
257 HE2 PHE 34 HE2 PHE 34 5.226 8.658 -2.102
258 HZ PHE 34 HZ PHE 34 6.739 7.999 -3.928
259 H THR 35 H THR 35 6.929 14.297 1.306
260 HA THR 35 HA THR 35 8.913 16.426 1.173
261 HB THR 35 HB THR 35 7.023 17.058 -0.361
262 HG1 THR 35 HG1 THR 35 6.711 19.108 0.556
263 HG21 THR 35 HG21 THR 35 5.377 17.033 2.174
264 HG22 THR 35 HG22 THR 35 5.192 15.935 0.807
265 HG23 THR 35 HG23 THR 35 4.844 17.653 0.611
Start of MODEL 17
1 H1 ASP 1 HT1 ASP 1 7.181 -13.681 0.931
2 H2 ASP 1 HT2 ASP 1 6.006 -12.632 0.288
3 H3 ASP 1 HT3 ASP 1 6.407 -12.538 1.905
4 HA ASP 1 HA ASP 1 8.589 -11.750 1.407
5 HB2 ASP 1 HB2 ASP 1 7.644 -11.956 -1.467
6 HB3 ASP 1 HB1 ASP 1 9.077 -11.082 -0.956
7 H CYS 2 H CYS 2 8.876 -9.478 1.271
8 HA CYS 2 HA CYS 2 6.444 -7.969 1.345
9 HB2 CYS 2 HB2 CYS 2 7.980 -6.078 1.517
10 HB3 CYS 2 HB1 CYS 2 8.128 -7.216 2.826
11 H ARG 3 H ARG 3 6.115 -6.179 0.132
12 HA ARG 3 HA ARG 3 6.623 -6.707 -2.682
13 HB2 ARG 3 HB2 ARG 3 4.733 -4.814 -1.310
14 HB3 ARG 3 HB1 ARG 3 4.814 -5.079 -3.056
15 HG2 ARG 3 HG2 ARG 3 4.128 -7.316 -2.840
16 HG3 ARG 3 HG1 ARG 3 4.306 -7.281 -1.081
17 HD2 ARG 3 HD2 ARG 3 2.523 -5.543 -1.073
18 HD3 ARG 3 HD1 ARG 3 2.300 -5.870 -2.793
19 HE ARG 3 HE ARG 3 2.213 -8.293 -1.661
20 HH11 ARG 3 HH11 ARG 3 0.341 -5.345 -1.312
21 HH12 ARG 3 HH12 ARG 3 -1.041 -6.078 -0.624
22 HH21 ARG 3 HH21 ARG 3 0.320 -9.359 -0.688
23 HH22 ARG 3 HH22 ARG 3 -1.030 -8.418 -0.259
24 H TYR 4 H TYR 4 7.626 -5.291 -4.050
25 HA TYR 4 HA TYR 4 9.273 -3.382 -2.746
26 HB2 TYR 4 HB2 TYR 4 9.275 -4.702 -5.436
27 HB3 TYR 4 HB1 TYR 4 10.369 -3.428 -4.988
28 HD1 TYR 4 HD1 TYR 4 11.649 -3.907 -2.595
29 HD2 TYR 4 HD2 TYR 4 10.072 -6.868 -5.239
30 HE1 TYR 4 HE1 TYR 4 13.217 -5.519 -1.712
31 HE2 TYR 4 HE2 TYR 4 11.654 -8.509 -4.313
32 HH TYR 4 HH TYR 4 13.428 -7.938 -1.489
33 H MET 5 H MET 5 9.719 -1.768 -4.992
34 HA MET 5 HA MET 5 7.635 0.131 -4.634
35 HB2 MET 5 HB2 MET 5 10.172 0.455 -5.397
36 HB3 MET 5 HB1 MET 5 9.477 0.224 -6.990
37 HG2 MET 5 HG2 MET 5 7.921 2.078 -6.536
38 HG3 MET 5 HG1 MET 5 8.738 2.279 -4.983
39 HE1 MET 5 HE1 MET 5 9.392 4.712 -5.265
40 HE2 MET 5 HE2 MET 5 8.387 4.725 -6.722
41 HE3 MET 5 HE3 MET 5 10.017 5.420 -6.753
42 H PHE 6 H PHE 6 5.962 0.606 -5.692
43 HA PHE 6 HA PHE 6 4.246 0.601 -7.061
44 HB2 PHE 6 HB2 PHE 6 5.986 -0.893 -9.047
45 HB3 PHE 6 HB1 PHE 6 4.380 -0.250 -9.390
46 HD1 PHE 6 HD1 PHE 6 7.887 0.527 -8.953
47 HD2 PHE 6 HD2 PHE 6 4.004 2.175 -9.453
48 HE1 PHE 6 HE1 PHE 6 8.896 2.672 -9.498
49 HE2 PHE 6 HE2 PHE 6 5.004 4.356 -10.027
50 HZ PHE 6 HZ PHE 6 7.454 4.614 -10.052
51 H GLY 7 H GLY 7 5.348 -1.926 -5.467
52 HA2 GLY 7 HA2 GLY 7 3.402 -3.893 -6.206
53 HA3 GLY 7 HA1 GLY 7 4.320 -3.849 -4.702
54 H ASP 8 H ASP 8 1.492 -4.336 -5.022
55 HA ASP 8 HA ASP 8 0.066 -1.898 -4.377
56 HB2 ASP 8 HB2 ASP 8 -0.901 -3.541 -5.643
57 HB3 ASP 8 HB1 ASP 8 -0.797 -4.798 -4.398
58 H CYS 9 H CYS 9 -0.857 -1.400 -2.390
59 HA CYS 9 HA CYS 9 -0.028 -3.127 -0.207
60 HB2 CYS 9 HB2 CYS 9 1.205 -1.406 0.939
61 HB3 CYS 9 HB1 CYS 9 1.758 -1.638 -0.735
62 H GLU 10 H GLU 10 -1.124 -2.854 1.708
63 HA GLU 10 HA GLU 10 -3.455 -1.078 1.646
64 HB2 GLU 10 HB2 GLU 10 -2.853 -3.448 3.434
65 HB3 GLU 10 HB1 GLU 10 -4.345 -2.529 3.396
66 HG2 GLU 10 HG2 GLU 10 -4.742 -3.335 1.099
67 HG3 GLU 10 HG1 GLU 10 -3.259 -4.279 1.224
68 H LYS 11 H LYS 11 -0.709 -2.351 3.447
69 HA LYS 11 HA LYS 11 -0.601 0.051 5.069
70 HB2 LYS 11 HB2 LYS 11 0.186 -1.495 6.909
71 HB3 LYS 11 HB1 LYS 11 -1.532 -1.498 6.568
72 HG2 LYS 11 HG2 LYS 11 -1.245 -3.577 5.280
73 HG3 LYS 11 HG1 LYS 11 0.474 -3.566 5.667
74 HD2 LYS 11 HD2 LYS 11 -0.086 -3.665 8.055
75 HD3 LYS 11 HD1 LYS 11 -1.801 -3.712 7.652
76 HE2 LYS 11 HE2 LYS 11 -1.486 -5.821 6.499
77 HE3 LYS 11 HE1 LYS 11 0.249 -5.761 6.814
78 HZ1 LYS 11 HZ1 LYS 11 -0.888 -7.209 8.365
79 HZ2 LYS 11 HZ2 LYS 11 -1.881 -5.942 8.865
80 HZ3 LYS 11 HZ3 LYS 11 -0.222 -5.889 9.170
81 H ASP 12 H ASP 12 1.615 0.109 6.115
82 HA ASP 12 HA ASP 12 3.536 0.033 4.000
83 HB2 ASP 12 HB2 ASP 12 3.841 0.654 6.935
84 HB3 ASP 12 HB1 ASP 12 5.220 0.572 5.854
85 H GLU 13 H GLU 13 2.510 -2.160 6.249
86 HA GLU 13 HA GLU 13 4.819 -3.750 6.596
87 HB2 GLU 13 HB2 GLU 13 1.937 -4.424 6.720
88 HB3 GLU 13 HB1 GLU 13 3.188 -5.559 7.113
89 HG2 GLU 13 HG2 GLU 13 2.405 -4.666 9.225
90 HG3 GLU 13 HG1 GLU 13 3.997 -3.993 8.928
91 H ASP 14 H ASP 14 2.515 -3.435 4.037
92 HA ASP 14 HA ASP 14 2.989 -6.019 2.942
93 HB2 ASP 14 HB2 ASP 14 1.885 -3.577 1.485
94 HB3 ASP 14 HB1 ASP 14 1.909 -5.269 0.998
95 H CYS 15 H CYS 15 4.536 -2.994 2.836
96 HA CYS 15 HA CYS 15 6.134 -3.620 0.490
97 HB2 CYS 15 HB2 CYS 15 6.329 -1.228 2.284
98 HB3 CYS 15 HB1 CYS 15 6.878 -1.390 0.631
99 H CYS 16 H CYS 16 8.435 -3.602 0.651
100 HA CYS 16 HA CYS 16 9.577 -4.788 2.879
101 HB2 CYS 16 HB2 CYS 16 10.949 -3.311 0.646
102 HB3 CYS 16 HB1 CYS 16 11.684 -4.443 1.702
103 H LYS 17 H LYS 17 11.781 -3.708 3.619
104 HA LYS 17 HA LYS 17 11.001 -1.991 5.710
105 HB2 LYS 17 HB2 LYS 17 13.768 -2.544 4.694
106 HB3 LYS 17 HB1 LYS 17 13.365 -1.820 6.239
107 HG2 LYS 17 HG2 LYS 17 12.627 -4.579 5.351
108 HG3 LYS 17 HG1 LYS 17 13.979 -4.133 6.403
109 HD2 LYS 17 HD2 LYS 17 12.313 -3.163 7.990
110 HD3 LYS 17 HD1 LYS 17 11.026 -3.765 6.944
111 HE2 LYS 17 HE2 LYS 17 13.100 -5.438 8.348
112 HE3 LYS 17 HE1 LYS 17 11.420 -5.257 8.844
113 HZ1 LYS 17 HZ1 LYS 17 12.380 -6.496 6.319
114 HZ2 LYS 17 HZ2 LYS 17 10.764 -6.323 6.754
115 HZ3 LYS 17 HZ3 LYS 17 11.770 -7.316 7.652
116 H HIS 18 H HIS 18 13.113 -1.361 3.078
117 HA HIS 18 HA HIS 18 13.379 1.443 3.734
118 HB2 HIS 18 HB2 HIS 18 14.402 0.018 1.267
119 HB3 HIS 18 HB1 HIS 18 14.930 1.581 1.880
120 HD1 HIS 18 HD1 HIS 18 15.980 -1.812 1.847
121 HD2 HIS 18 HD2 HIS 18 15.983 1.191 4.714
122 HE1 HIS 18 HE1 HIS 18 17.638 -2.522 3.607
123 H LEU 19 H LEU 19 10.785 0.190 2.678
124 HA LEU 19 HA LEU 19 10.190 2.209 0.619
125 HB2 LEU 19 HB2 LEU 19 9.096 -0.592 0.917
126 HB3 LEU 19 HB1 LEU 19 8.563 0.585 -0.261
127 HG LEU 19 HG LEU 19 11.375 -0.505 -0.203
128 HD11 LEU 19 HD11 LEU 19 9.739 -2.306 -0.560
129 HD12 LEU 19 HD12 LEU 19 10.703 -1.927 -1.995
130 HD13 LEU 19 HD13 LEU 19 9.040 -1.354 -1.878
131 HD21 LEU 19 HD21 LEU 19 9.762 0.940 -2.286
132 HD22 LEU 19 HD22 LEU 19 11.367 0.250 -2.515
133 HD23 LEU 19 HD23 LEU 19 11.140 1.574 -1.377
134 H GLY 20 H GLY 20 7.853 2.599 0.549
135 HA2 GLY 20 HA2 GLY 20 6.488 2.215 3.077
136 HA3 GLY 20 HA1 GLY 20 6.761 3.875 2.532
137 H CYS 21 H CYS 21 4.307 2.633 2.948
138 HA CYS 21 HA CYS 21 3.255 1.989 0.309
139 HB2 CYS 21 HB2 CYS 21 2.523 0.605 2.160
140 HB3 CYS 21 HB1 CYS 21 1.966 2.005 3.059
141 H LYS 22 H LYS 22 2.851 3.704 -0.967
142 HA LYS 22 HA LYS 22 2.160 6.261 0.080
143 HB2 LYS 22 HB2 LYS 22 1.911 5.155 -2.699
144 HB3 LYS 22 HB1 LYS 22 1.503 6.804 -2.280
145 HG2 LYS 22 HG2 LYS 22 4.135 5.542 -1.931
146 HG3 LYS 22 HG1 LYS 22 3.743 6.536 -3.349
147 HD2 LYS 22 HD2 LYS 22 3.255 8.389 -1.607
148 HD3 LYS 22 HD1 LYS 22 4.085 7.348 -0.447
149 HE2 LYS 22 HE2 LYS 22 6.069 7.340 -1.945
150 HE3 LYS 22 HE1 LYS 22 5.234 8.469 -3.002
151 HZ1 LYS 22 HZ1 LYS 22 6.620 9.754 -1.695
152 HZ2 LYS 22 HZ2 LYS 22 6.340 8.915 -0.304
153 HZ3 LYS 22 HZ3 LYS 22 5.126 9.943 -0.906
154 H ARG 23 H ARG 23 0.395 6.652 0.913
155 HA ARG 23 HA ARG 23 -1.886 4.939 0.773
156 HB2 ARG 23 HB2 ARG 23 -1.636 7.667 2.040
157 HB3 ARG 23 HB1 ARG 23 -2.836 6.436 2.410
158 HG2 ARG 23 HG2 ARG 23 0.123 6.305 2.977
159 HG3 ARG 23 HG1 ARG 23 -1.183 6.477 4.154
160 HD2 ARG 23 HD2 ARG 23 -2.074 4.331 3.438
161 HD3 ARG 23 HD1 ARG 23 -0.722 4.206 2.298
162 HE ARG 23 HE ARG 23 0.773 4.241 4.274
163 HH11 ARG 23 HH11 ARG 23 -2.530 3.044 4.691
164 HH12 ARG 23 HH12 ARG 23 -2.133 2.010 6.000
165 HH21 ARG 23 HH21 ARG 23 1.305 2.739 6.052
166 HH22 ARG 23 HH22 ARG 23 0.048 1.857 6.792
167 H LYS 24 H LYS 24 -0.721 7.281 -1.167
168 HA LYS 24 HA LYS 24 -3.284 8.538 -1.797
169 HB2 LYS 24 HB2 LYS 24 -1.209 9.889 -1.704
170 HB3 LYS 24 HB1 LYS 24 -0.535 8.924 -3.006
171 HG2 LYS 24 HG2 LYS 24 -2.436 9.697 -4.444
172 HG3 LYS 24 HG1 LYS 24 -2.893 10.792 -3.143
173 HD2 LYS 24 HD2 LYS 24 -0.261 10.783 -4.636
174 HD3 LYS 24 HD1 LYS 24 -1.563 11.951 -4.833
175 HE2 LYS 24 HE2 LYS 24 -1.254 12.632 -2.465
176 HE3 LYS 24 HE1 LYS 24 0.091 11.501 -2.351
177 HZ1 LYS 24 HZ1 LYS 24 -0.055 13.862 -4.137
178 HZ2 LYS 24 HZ2 LYS 24 1.205 12.753 -4.121
179 HZ3 LYS 24 HZ3 LYS 24 0.910 13.702 -2.764
180 H MET 25 H MET 25 -0.958 6.267 -2.937
181 HA MET 25 HA MET 25 -2.435 5.993 -5.450
182 HB2 MET 25 HB2 MET 25 0.466 5.608 -4.853
183 HB3 MET 25 HB1 MET 25 -0.295 5.167 -6.358
184 HG2 MET 25 HG2 MET 25 -0.138 7.947 -5.200
185 HG3 MET 25 HG1 MET 25 0.808 7.312 -6.546
186 HE1 MET 25 HE1 MET 25 -0.179 6.749 -8.930
187 HE2 MET 25 HE2 MET 25 -1.895 6.843 -9.328
188 HE3 MET 25 HE3 MET 25 -1.323 5.630 -8.188
189 H LYS 26 H LYS 26 -1.574 4.433 -2.613
190 HA LYS 26 HA LYS 26 -1.836 2.429 -1.751
191 HB2 LYS 26 HB2 LYS 26 -3.499 1.832 -4.209
192 HB3 LYS 26 HB1 LYS 26 -3.409 0.808 -2.782
193 HG2 LYS 26 HG2 LYS 26 -4.528 3.593 -2.960
194 HG3 LYS 26 HG1 LYS 26 -5.412 2.097 -2.636
195 HD2 LYS 26 HD2 LYS 26 -4.100 1.824 -0.559
196 HD3 LYS 26 HD1 LYS 26 -3.302 3.355 -0.906
197 HE2 LYS 26 HE2 LYS 26 -5.071 3.716 0.713
198 HE3 LYS 26 HE1 LYS 26 -5.475 4.497 -0.812
199 HZ1 LYS 26 HZ1 LYS 26 -6.975 2.696 -1.333
200 HZ2 LYS 26 HZ2 LYS 26 -7.359 3.270 0.212
201 HZ3 LYS 26 HZ3 LYS 26 -6.500 1.851 0.036
202 H TYR 27 H TYR 27 0.410 2.951 -2.980
203 HA TYR 27 HA TYR 27 1.258 0.242 -3.424
204 HB2 TYR 27 HB2 TYR 27 2.561 0.492 -5.460
205 HB3 TYR 27 HB1 TYR 27 0.876 0.775 -5.782
206 HD1 TYR 27 HD1 TYR 27 4.078 2.587 -5.107
207 HD2 TYR 27 HD2 TYR 27 0.314 2.640 -7.079
208 HE1 TYR 27 HE1 TYR 27 4.753 4.607 -6.302
209 HE2 TYR 27 HE2 TYR 27 0.973 4.676 -8.274
210 HH TYR 27 HH TYR 27 4.172 5.854 -8.338
211 H CYS 28 H CYS 28 3.561 -0.071 -3.589
212 HA CYS 28 HA CYS 28 4.680 1.384 -1.395
213 HB2 CYS 28 HB2 CYS 28 5.836 -0.872 -3.029
214 HB3 CYS 28 HB1 CYS 28 6.439 -0.287 -1.482
215 H ALA 29 H ALA 29 6.042 2.950 -1.539
216 HA ALA 29 HA ALA 29 7.597 3.340 -3.986
217 HB1 ALA 29 HB1 ALA 29 7.472 5.770 -3.514
218 HB2 ALA 29 HB2 ALA 29 6.392 5.406 -2.165
219 HB3 ALA 29 HB3 ALA 29 5.880 5.066 -3.818
220 H TRP 30 H TRP 30 9.399 5.216 -2.969
221 HA TRP 30 HA TRP 30 10.845 3.530 -1.200
222 HB2 TRP 30 HB2 TRP 30 11.564 6.209 -2.378
223 HB3 TRP 30 HB1 TRP 30 12.610 5.330 -1.287
224 HD1 TRP 30 HD TRP 30 11.757 5.577 -4.864
225 HE1 TRP 30 HE1 TRP 30 12.968 3.655 -6.187
226 HE3 TRP 30 HE3 TRP 30 13.194 2.867 -1.007
227 HZ2 TRP 30 HZ2 TRP 30 14.351 1.276 -5.556
228 HZ3 TRP 30 HZ3 TRP 30 14.489 0.744 -1.337
229 HH2 TRP 30 HH TRP 30 15.036 -0.013 -3.591
230 H ASP 31 H ASP 31 8.385 5.462 -0.486
231 HA ASP 31 HA ASP 31 8.750 5.302 2.185
232 HB2 ASP 31 HB2 ASP 31 8.810 7.652 2.825
233 HB3 ASP 31 HB1 ASP 31 10.228 7.221 1.865
234 H PHE 32 H PHE 32 6.952 6.580 3.103
235 HA PHE 32 HA PHE 32 4.574 5.992 1.463
236 HB2 PHE 32 HB2 PHE 32 3.317 5.924 3.580
237 HB3 PHE 32 HB1 PHE 32 4.641 4.776 3.527
238 HD1 PHE 32 HD1 PHE 32 3.663 8.123 4.912
239 HD2 PHE 32 HD2 PHE 32 6.228 4.743 5.224
240 HE1 PHE 32 HE1 PHE 32 4.447 8.923 7.092
241 HE2 PHE 32 HE2 PHE 32 7.032 5.557 7.402
242 HZ PHE 32 HZ PHE 32 6.142 7.649 8.338
243 H THR 33 H THR 33 6.241 8.718 1.880
244 HA THR 33 HA THR 33 5.831 10.904 1.911
245 HB THR 33 HB THR 33 2.888 10.155 1.815
246 HG1 THR 33 HG1 THR 33 3.195 11.122 -0.352
247 HG21 THR 33 HG21 THR 33 4.184 12.854 1.478
248 HG22 THR 33 HG22 THR 33 3.185 12.295 2.829
249 HG23 THR 33 HG23 THR 33 2.464 12.496 1.224
250 H PHE 34 H PHE 34 6.450 11.737 3.754
251 HA PHE 34 HA PHE 34 5.684 10.631 6.226
252 HB2 PHE 34 HB2 PHE 34 7.294 13.114 5.637
253 HB3 PHE 34 HB1 PHE 34 7.131 12.374 7.227
254 HD1 PHE 34 HD1 PHE 34 7.926 9.997 7.533
255 HD2 PHE 34 HD2 PHE 34 8.898 12.331 4.112
256 HE1 PHE 34 HE1 PHE 34 9.795 8.481 7.032
257 HE2 PHE 34 HE2 PHE 34 10.768 10.816 3.608
258 HZ PHE 34 HZ PHE 34 11.217 8.893 5.064
259 H THR 35 H THR 35 3.772 10.833 6.960
260 HA THR 35 HA THR 35 2.711 13.367 7.773
261 HB THR 35 HB THR 35 1.118 11.550 5.931
262 HG1 THR 35 HG1 THR 35 2.844 13.520 5.368
263 HG21 THR 35 HG21 THR 35 -0.242 12.728 7.603
264 HG22 THR 35 HG22 THR 35 -0.556 13.349 5.983
265 HG23 THR 35 HG23 THR 35 0.465 14.262 7.093
Start of MODEL 18
1 H1 ASP 1 HT1 ASP 1 5.826 -13.358 0.031
2 H2 ASP 1 HT2 ASP 1 4.937 -12.017 -0.531
3 H3 ASP 1 HT3 ASP 1 5.162 -12.238 1.114
4 HA ASP 1 HA ASP 1 7.484 -11.807 0.930
5 HB2 ASP 1 HB2 ASP 1 6.838 -11.363 -2.011
6 HB3 ASP 1 HB1 ASP 1 8.384 -11.014 -1.253
7 H CYS 2 H CYS 2 8.274 -9.410 0.340
8 HA CYS 2 HA CYS 2 6.031 -7.733 1.027
9 HB2 CYS 2 HB2 CYS 2 7.776 -6.037 1.289
10 HB3 CYS 2 HB1 CYS 2 7.938 -7.360 2.416
11 H ARG 3 H ARG 3 6.101 -5.579 0.071
12 HA ARG 3 HA ARG 3 6.194 -5.865 -2.839
13 HB2 ARG 3 HB2 ARG 3 4.840 -3.789 -1.135
14 HB3 ARG 3 HB1 ARG 3 4.681 -3.954 -2.867
15 HG2 ARG 3 HG2 ARG 3 3.782 -5.950 -0.815
16 HG3 ARG 3 HG1 ARG 3 2.747 -4.800 -1.656
17 HD2 ARG 3 HD2 ARG 3 3.300 -5.872 -3.780
18 HD3 ARG 3 HD1 ARG 3 4.326 -7.036 -2.931
19 HE ARG 3 HE ARG 3 1.791 -7.022 -1.778
20 HH11 ARG 3 HH11 ARG 3 3.257 -8.029 -4.841
21 HH12 ARG 3 HH12 ARG 3 2.189 -9.319 -5.112
22 HH21 ARG 3 HH21 ARG 3 0.290 -8.768 -2.136
23 HH22 ARG 3 HH22 ARG 3 0.442 -9.759 -3.492
24 H TYR 4 H TYR 4 7.555 -4.635 -4.019
25 HA TYR 4 HA TYR 4 9.267 -2.757 -2.692
26 HB2 TYR 4 HB2 TYR 4 9.137 -3.955 -5.443
27 HB3 TYR 4 HB1 TYR 4 10.361 -2.835 -4.895
28 HD1 TYR 4 HD1 TYR 4 9.405 -6.212 -5.208
29 HD2 TYR 4 HD2 TYR 4 11.842 -3.624 -2.856
30 HE1 TYR 4 HE1 TYR 4 10.747 -8.124 -4.489
31 HE2 TYR 4 HE2 TYR 4 13.179 -5.506 -2.152
32 HH TYR 4 HH TYR 4 13.076 -7.874 -1.980
33 H MET 5 H MET 5 9.644 -1.121 -4.991
34 HA MET 5 HA MET 5 7.453 0.587 -4.752
35 HB2 MET 5 HB2 MET 5 9.718 1.382 -5.467
36 HB3 MET 5 HB1 MET 5 9.472 0.591 -7.015
37 HG2 MET 5 HG2 MET 5 7.436 2.016 -7.322
38 HG3 MET 5 HG1 MET 5 7.889 2.880 -5.862
39 HE1 MET 5 HE1 MET 5 10.055 4.413 -5.685
40 HE2 MET 5 HE2 MET 5 11.235 4.571 -6.997
41 HE3 MET 5 HE3 MET 5 11.048 3.030 -6.159
42 H PHE 6 H PHE 6 5.666 0.819 -5.909
43 HA PHE 6 HA PHE 6 4.020 0.569 -7.425
44 HB2 PHE 6 HB2 PHE 6 5.879 -1.215 -9.030
45 HB3 PHE 6 HB1 PHE 6 4.270 -0.722 -9.544
46 HD1 PHE 6 HD1 PHE 6 3.835 1.622 -10.112
47 HD2 PHE 6 HD2 PHE 6 7.721 0.232 -9.171
48 HE1 PHE 6 HE1 PHE 6 4.803 3.665 -11.110
49 HE2 PHE 6 HE2 PHE 6 8.708 2.228 -10.100
50 HZ PHE 6 HZ PHE 6 7.252 3.978 -11.118
51 H GLY 7 H GLY 7 5.323 -1.828 -5.584
52 HA2 GLY 7 HA2 GLY 7 3.369 -3.833 -6.157
53 HA3 GLY 7 HA1 GLY 7 4.450 -3.797 -4.763
54 H ASP 8 H ASP 8 1.489 -4.219 -5.055
55 HA ASP 8 HA ASP 8 0.122 -1.883 -4.173
56 HB2 ASP 8 HB2 ASP 8 -0.841 -3.549 -5.429
57 HB3 ASP 8 HB1 ASP 8 -0.757 -4.765 -4.141
58 H CYS 9 H CYS 9 -0.641 -1.328 -2.253
59 HA CYS 9 HA CYS 9 0.158 -2.983 -0.009
60 HB2 CYS 9 HB2 CYS 9 1.415 -1.231 1.046
61 HB3 CYS 9 HB1 CYS 9 1.934 -1.501 -0.635
62 H GLU 10 H GLU 10 -0.947 -2.525 1.921
63 HA GLU 10 HA GLU 10 -3.244 -0.716 1.696
64 HB2 GLU 10 HB2 GLU 10 -2.805 -3.172 3.403
65 HB3 GLU 10 HB1 GLU 10 -4.222 -2.144 3.476
66 HG2 GLU 10 HG2 GLU 10 -4.841 -2.768 1.219
67 HG3 GLU 10 HG1 GLU 10 -3.359 -3.707 1.047
68 H LYS 11 H LYS 11 -0.520 -1.894 3.566
69 HA LYS 11 HA LYS 11 -0.426 0.555 5.097
70 HB2 LYS 11 HB2 LYS 11 0.174 -0.900 7.102
71 HB3 LYS 11 HB1 LYS 11 -1.520 -0.865 6.652
72 HG2 LYS 11 HG2 LYS 11 -1.224 -3.010 5.474
73 HG3 LYS 11 HG1 LYS 11 0.460 -3.036 5.991
74 HD2 LYS 11 HD2 LYS 11 -0.228 -3.121 8.312
75 HD3 LYS 11 HD1 LYS 11 -1.923 -2.985 7.836
76 HE2 LYS 11 HE2 LYS 11 -1.822 -5.109 6.701
77 HE3 LYS 11 HE1 LYS 11 -0.091 -5.228 6.999
78 HZ1 LYS 11 HZ1 LYS 11 -1.375 -6.563 8.556
79 HZ2 LYS 11 HZ2 LYS 11 -2.177 -5.193 9.117
80 HZ3 LYS 11 HZ3 LYS 11 -0.490 -5.346 9.316
81 H ASP 12 H ASP 12 1.835 0.278 6.423
82 HA ASP 12 HA ASP 12 3.738 0.178 4.268
83 HB2 ASP 12 HB2 ASP 12 4.291 0.622 7.215
84 HB3 ASP 12 HB1 ASP 12 5.445 0.849 5.910
85 H GLU 13 H GLU 13 2.593 -2.040 6.469
86 HA GLU 13 HA GLU 13 4.856 -3.749 6.815
87 HB2 GLU 13 HB2 GLU 13 1.987 -4.482 6.708
88 HB3 GLU 13 HB1 GLU 13 3.255 -5.481 7.382
89 HG2 GLU 13 HG2 GLU 13 3.679 -3.433 8.971
90 HG3 GLU 13 HG1 GLU 13 2.040 -2.986 8.513
91 H ASP 14 H ASP 14 2.599 -3.235 4.313
92 HA ASP 14 HA ASP 14 2.860 -5.720 3.016
93 HB2 ASP 14 HB2 ASP 14 2.019 -3.022 1.975
94 HB3 ASP 14 HB1 ASP 14 2.022 -4.535 1.077
95 H CYS 15 H CYS 15 4.633 -2.781 3.043
96 HA CYS 15 HA CYS 15 6.116 -3.373 0.640
97 HB2 CYS 15 HB2 CYS 15 6.619 -1.171 2.618
98 HB3 CYS 15 HB1 CYS 15 7.059 -1.245 0.924
99 H CYS 16 H CYS 16 8.391 -3.545 0.660
100 HA CYS 16 HA CYS 16 9.557 -5.102 2.651
101 HB2 CYS 16 HB2 CYS 16 10.855 -3.420 0.525
102 HB3 CYS 16 HB1 CYS 16 11.611 -4.735 1.343
103 H LYS 17 H LYS 17 11.901 -4.191 3.352
104 HA LYS 17 HA LYS 17 11.256 -2.653 5.623
105 HB2 LYS 17 HB2 LYS 17 13.948 -3.324 4.493
106 HB3 LYS 17 HB1 LYS 17 13.658 -2.635 6.082
107 HG2 LYS 17 HG2 LYS 17 12.184 -4.509 6.511
108 HG3 LYS 17 HG1 LYS 17 12.763 -5.282 5.045
109 HD2 LYS 17 HD2 LYS 17 14.079 -6.184 6.866
110 HD3 LYS 17 HD1 LYS 17 15.090 -5.098 5.910
111 HE2 LYS 17 HE2 LYS 17 15.485 -4.775 8.297
112 HE3 LYS 17 HE1 LYS 17 14.782 -3.332 7.589
113 HZ1 LYS 17 HZ1 LYS 17 12.617 -4.000 8.503
114 HZ2 LYS 17 HZ2 LYS 17 13.762 -3.825 9.690
115 HZ3 LYS 17 HZ3 LYS 17 13.315 -5.373 9.198
116 H HIS 18 H HIS 18 13.173 -1.988 2.920
117 HA HIS 18 HA HIS 18 13.775 0.725 3.674
118 HB2 HIS 18 HB2 HIS 18 14.293 -0.690 1.060
119 HB3 HIS 18 HB1 HIS 18 14.830 0.941 1.425
120 HD1 HIS 18 HD1 HIS 18 17.170 1.052 2.270
121 HD2 HIS 18 HD2 HIS 18 15.405 -2.619 3.065
122 HE1 HIS 18 HE1 HIS 18 18.966 -0.372 3.308
123 H LEU 19 H LEU 19 10.878 -0.322 2.680
124 HA LEU 19 HA LEU 19 10.398 2.152 1.181
125 HB2 LEU 19 HB2 LEU 19 9.218 -0.553 0.596
126 HB3 LEU 19 HB1 LEU 19 8.582 0.935 -0.064
127 HG LEU 19 HG LEU 19 11.171 1.110 -0.852
128 HD11 LEU 19 HD11 LEU 19 11.794 -1.063 0.022
129 HD12 LEU 19 HD12 LEU 19 11.851 -1.011 -1.755
130 HD13 LEU 19 HD13 LEU 19 10.503 -1.796 -0.950
131 HD21 LEU 19 HD21 LEU 19 9.235 1.427 -2.261
132 HD22 LEU 19 HD22 LEU 19 8.971 -0.323 -2.293
133 HD23 LEU 19 HD23 LEU 19 10.417 0.362 -3.026
134 H GLY 20 H GLY 20 8.093 2.707 1.046
135 HA2 GLY 20 HA2 GLY 20 6.625 2.145 3.514
136 HA3 GLY 20 HA1 GLY 20 6.944 3.814 3.022
137 H CYS 21 H CYS 21 4.356 2.817 3.253
138 HA CYS 21 HA CYS 21 3.544 2.100 0.542
139 HB2 CYS 21 HB2 CYS 21 2.663 0.695 2.247
140 HB3 CYS 21 HB1 CYS 21 2.113 2.071 3.188
141 H LYS 22 H LYS 22 2.607 3.480 -0.833
142 HA LYS 22 HA LYS 22 1.672 5.994 0.243
143 HB2 LYS 22 HB2 LYS 22 2.478 5.172 -2.502
144 HB3 LYS 22 HB1 LYS 22 1.329 6.490 -2.309
145 HG2 LYS 22 HG2 LYS 22 3.981 6.324 -1.004
146 HG3 LYS 22 HG1 LYS 22 3.678 7.255 -2.494
147 HD2 LYS 22 HD2 LYS 22 1.926 8.504 -1.144
148 HD3 LYS 22 HD1 LYS 22 2.527 7.682 0.280
149 HE2 LYS 22 HE2 LYS 22 4.753 8.613 -0.093
150 HE3 LYS 22 HE1 LYS 22 4.165 9.448 -1.528
151 HZ1 LYS 22 HZ1 LYS 22 2.576 10.624 -0.053
152 HZ2 LYS 22 HZ2 LYS 22 4.183 10.972 0.212
153 HZ3 LYS 22 HZ3 LYS 22 3.361 9.946 1.291
154 H ARG 23 H ARG 23 -0.183 6.058 0.879
155 HA ARG 23 HA ARG 23 -2.160 4.155 0.149
156 HB2 ARG 23 HB2 ARG 23 -2.286 6.599 1.894
157 HB3 ARG 23 HB1 ARG 23 -3.667 5.568 1.593
158 HG2 ARG 23 HG2 ARG 23 -2.798 4.950 3.698
159 HG3 ARG 23 HG1 ARG 23 -2.334 3.687 2.557
160 HD2 ARG 23 HD2 ARG 23 -0.083 4.516 2.508
161 HD3 ARG 23 HD1 ARG 23 -0.535 5.907 3.500
162 HE ARG 23 HE ARG 23 -1.322 3.783 4.967
163 HH11 ARG 23 HH11 ARG 23 1.832 4.640 3.576
164 HH12 ARG 23 HH12 ARG 23 2.708 3.885 4.826
165 HH21 ARG 23 HH21 ARG 23 -0.065 2.817 6.695
166 HH22 ARG 23 HH22 ARG 23 1.638 2.929 6.608
167 H LYS 24 H LYS 24 -1.157 6.919 -1.298
168 HA LYS 24 HA LYS 24 -3.845 7.698 -2.159
169 HB2 LYS 24 HB2 LYS 24 -1.179 8.943 -2.850
170 HB3 LYS 24 HB1 LYS 24 -2.749 9.589 -3.298
171 HG2 LYS 24 HG2 LYS 24 -1.653 9.322 -0.498
172 HG3 LYS 24 HG1 LYS 24 -1.814 10.814 -1.421
173 HD2 LYS 24 HD2 LYS 24 -4.281 10.480 -1.449
174 HD3 LYS 24 HD1 LYS 24 -4.066 9.039 -0.459
175 HE2 LYS 24 HE2 LYS 24 -3.034 10.395 1.296
176 HE3 LYS 24 HE1 LYS 24 -3.268 11.844 0.321
177 HZ1 LYS 24 HZ1 LYS 24 -5.673 11.475 0.479
178 HZ2 LYS 24 HZ2 LYS 24 -4.975 11.586 2.012
179 HZ3 LYS 24 HZ3 LYS 24 -5.408 10.096 1.403
180 H MET 25 H MET 25 -1.082 5.996 -3.132
181 HA MET 25 HA MET 25 -2.116 5.803 -5.859
182 HB2 MET 25 HB2 MET 25 0.721 5.454 -4.873
183 HB3 MET 25 HB1 MET 25 0.162 5.192 -6.492
184 HG2 MET 25 HG2 MET 25 0.036 7.829 -5.052
185 HG3 MET 25 HG1 MET 25 1.261 7.369 -6.231
186 HE1 MET 25 HE1 MET 25 -0.824 7.176 -9.553
187 HE2 MET 25 HE2 MET 25 -0.440 5.839 -8.475
188 HE3 MET 25 HE3 MET 25 0.782 7.060 -8.834
189 H LYS 26 H LYS 26 -1.771 4.183 -2.996
190 HA LYS 26 HA LYS 26 -2.053 2.108 -2.247
191 HB2 LYS 26 HB2 LYS 26 -3.211 1.574 -4.978
192 HB3 LYS 26 HB1 LYS 26 -3.293 0.464 -3.626
193 HG2 LYS 26 HG2 LYS 26 -4.548 3.186 -3.800
194 HG3 LYS 26 HG1 LYS 26 -5.371 1.619 -3.726
195 HD2 LYS 26 HD2 LYS 26 -4.279 1.274 -1.499
196 HD3 LYS 26 HD1 LYS 26 -3.694 2.926 -1.623
197 HE2 LYS 26 HE2 LYS 26 -6.620 2.121 -1.643
198 HE3 LYS 26 HE1 LYS 26 -5.762 2.744 -0.243
199 HZ1 LYS 26 HZ1 LYS 26 -5.402 4.827 -1.460
200 HZ2 LYS 26 HZ2 LYS 26 -7.039 4.470 -1.307
201 HZ3 LYS 26 HZ3 LYS 26 -6.282 4.224 -2.778
202 H TYR 27 H TYR 27 0.346 2.799 -3.323
203 HA TYR 27 HA TYR 27 1.382 0.122 -3.525
204 HB2 TYR 27 HB2 TYR 27 2.833 0.365 -5.427
205 HB3 TYR 27 HB1 TYR 27 1.188 0.617 -5.932
206 HD1 TYR 27 HD1 TYR 27 0.678 2.579 -7.196
207 HD2 TYR 27 HD2 TYR 27 4.346 2.392 -5.052
208 HE1 TYR 27 HE1 TYR 27 1.468 4.619 -8.323
209 HE2 TYR 27 HE2 TYR 27 5.121 4.397 -6.160
210 HH TYR 27 HH TYR 27 4.729 5.576 -8.173
211 H CYS 28 H CYS 28 3.620 -0.055 -3.381
212 HA CYS 28 HA CYS 28 4.539 1.640 -1.250
213 HB2 CYS 28 HB2 CYS 28 5.880 -0.716 -2.562
214 HB3 CYS 28 HB1 CYS 28 6.402 0.073 -1.078
215 H ALA 29 H ALA 29 6.170 2.982 -1.225
216 HA ALA 29 HA ALA 29 7.749 3.495 -3.629
217 HB1 ALA 29 HB1 ALA 29 7.531 5.933 -3.121
218 HB2 ALA 29 HB2 ALA 29 6.390 5.534 -1.835
219 HB3 ALA 29 HB3 ALA 29 5.979 5.189 -3.516
220 H TRP 30 H TRP 30 9.649 5.162 -2.600
221 HA TRP 30 HA TRP 30 10.855 3.384 -0.753
222 HB2 TRP 30 HB2 TRP 30 11.864 6.029 -1.779
223 HB3 TRP 30 HB1 TRP 30 12.738 5.036 -0.636
224 HD1 TRP 30 HD TRP 30 12.101 5.403 -4.294
225 HE1 TRP 30 HE1 TRP 30 13.366 3.522 -5.547
226 HE3 TRP 30 HE3 TRP 30 13.347 2.608 -0.372
227 HZ2 TRP 30 HZ2 TRP 30 14.725 1.148 -4.919
228 HZ3 TRP 30 HZ3 TRP 30 14.658 0.484 -0.710
229 HH2 TRP 30 HH TRP 30 15.318 -0.207 -2.949
230 H ASP 31 H ASP 31 8.729 5.807 -0.174
231 HA ASP 31 HA ASP 31 9.005 5.522 2.576
232 HB2 ASP 31 HB2 ASP 31 10.878 7.070 2.200
233 HB3 ASP 31 HB1 ASP 31 9.760 8.243 1.501
234 H PHE 32 H PHE 32 7.311 6.167 3.545
235 HA PHE 32 HA PHE 32 4.968 6.665 1.992
236 HB2 PHE 32 HB2 PHE 32 3.779 6.574 4.226
237 HB3 PHE 32 HB1 PHE 32 4.679 5.140 3.769
238 HD1 PHE 32 HD1 PHE 32 6.600 4.429 5.036
239 HD2 PHE 32 HD2 PHE 32 4.549 8.016 6.055
240 HE1 PHE 32 HE1 PHE 32 7.761 4.472 7.195
241 HE2 PHE 32 HE2 PHE 32 5.716 8.061 8.221
242 HZ PHE 32 HZ PHE 32 7.320 6.289 8.793
243 H THR 33 H THR 33 7.136 8.761 3.772
244 HA THR 33 HA THR 33 5.150 10.885 3.875
245 HB THR 33 HB THR 33 8.030 10.896 4.869
246 HG1 THR 33 HG1 THR 33 7.354 9.854 6.580
247 HG21 THR 33 HG21 THR 33 6.957 13.122 4.680
248 HG22 THR 33 HG22 THR 33 7.237 12.680 6.365
249 HG23 THR 33 HG23 THR 33 5.620 12.545 5.676
250 H PHE 34 H PHE 34 7.174 9.622 1.685
251 HA PHE 34 HA PHE 34 8.650 11.650 0.506
252 HB2 PHE 34 HB2 PHE 34 8.968 9.391 -0.197
253 HB3 PHE 34 HB1 PHE 34 7.285 9.223 -0.658
254 HD1 PHE 34 HD1 PHE 34 10.377 11.096 -1.531
255 HD2 PHE 34 HD2 PHE 34 6.680 9.483 -2.870
256 HE1 PHE 34 HE1 PHE 34 10.971 11.654 -3.848
257 HE2 PHE 34 HE2 PHE 34 7.268 10.039 -5.185
258 HZ PHE 34 HZ PHE 34 9.417 11.129 -5.678
259 H THR 35 H THR 35 8.211 13.297 -0.932
260 HA THR 35 HA THR 35 5.776 13.483 -2.360
261 HB THR 35 HB THR 35 4.998 14.234 -0.111
262 HG1 THR 35 HG1 THR 35 4.026 16.096 -0.818
263 HG21 THR 35 HG21 THR 35 7.069 15.207 0.732
264 HG22 THR 35 HG22 THR 35 5.773 16.404 0.781
265 HG23 THR 35 HG23 THR 35 6.995 16.473 -0.491
Start of MODEL 19
1 H1 ASP 1 HT1 ASP 1 7.481 -13.195 2.461
2 H2 ASP 1 HT2 ASP 1 6.113 -12.193 2.510
3 H3 ASP 1 HT3 ASP 1 7.530 -11.722 3.273
4 HA ASP 1 HA ASP 1 8.660 -11.467 1.210
5 HB2 ASP 1 HB2 ASP 1 7.427 -13.204 -0.058
6 HB3 ASP 1 HB1 ASP 1 5.972 -12.222 0.033
7 H CYS 2 H CYS 2 8.740 -9.303 0.621
8 HA CYS 2 HA CYS 2 6.434 -7.778 1.469
9 HB2 CYS 2 HB2 CYS 2 7.995 -5.936 1.522
10 HB3 CYS 2 HB1 CYS 2 8.308 -7.160 2.738
11 H ARG 3 H ARG 3 6.016 -5.966 0.337
12 HA ARG 3 HA ARG 3 5.984 -6.469 -2.513
13 HB2 ARG 3 HB2 ARG 3 4.014 -5.686 -1.068
14 HB3 ARG 3 HB1 ARG 3 4.800 -4.118 -1.068
15 HG2 ARG 3 HG2 ARG 3 3.169 -4.051 -2.746
16 HG3 ARG 3 HG1 ARG 3 4.733 -4.194 -3.554
17 HD2 ARG 3 HD2 ARG 3 3.059 -5.659 -4.583
18 HD3 ARG 3 HD1 ARG 3 4.364 -6.597 -3.862
19 HE ARG 3 HE ARG 3 2.555 -6.504 -1.883
20 HH11 ARG 3 HH11 ARG 3 2.117 -7.334 -5.292
21 HH12 ARG 3 HH12 ARG 3 0.934 -8.518 -4.978
22 HH21 ARG 3 HH21 ARG 3 0.968 -8.107 -1.470
23 HH22 ARG 3 HH22 ARG 3 0.254 -8.979 -2.759
24 H TYR 4 H TYR 4 7.331 -5.427 -3.961
25 HA TYR 4 HA TYR 4 9.176 -3.527 -2.957
26 HB2 TYR 4 HB2 TYR 4 8.798 -4.898 -5.602
27 HB3 TYR 4 HB1 TYR 4 10.073 -3.757 -5.244
28 HD1 TYR 4 HD1 TYR 4 9.767 -6.959 -5.897
29 HD2 TYR 4 HD2 TYR 4 11.015 -4.605 -2.542
30 HE1 TYR 4 HE1 TYR 4 11.143 -8.817 -5.078
31 HE2 TYR 4 HE2 TYR 4 12.359 -6.414 -1.759
32 HH TYR 4 HH TYR 4 12.354 -8.941 -1.992
33 H MET 5 H MET 5 9.541 -2.031 -5.307
34 HA MET 5 HA MET 5 7.621 -0.030 -4.686
35 HB2 MET 5 HB2 MET 5 10.121 0.265 -5.364
36 HB3 MET 5 HB1 MET 5 9.525 0.126 -7.002
37 HG2 MET 5 HG2 MET 5 8.020 2.013 -6.593
38 HG3 MET 5 HG1 MET 5 8.666 2.108 -4.955
39 HE1 MET 5 HE1 MET 5 9.413 4.498 -4.989
40 HE2 MET 5 HE2 MET 5 8.593 4.690 -6.546
41 HE3 MET 5 HE3 MET 5 10.245 5.287 -6.319
42 H PHE 6 H PHE 6 6.019 0.775 -5.783
43 HA PHE 6 HA PHE 6 4.322 1.038 -7.166
44 HB2 PHE 6 HB2 PHE 6 5.957 -0.494 -9.192
45 HB3 PHE 6 HB1 PHE 6 4.398 0.244 -9.551
46 HD1 PHE 6 HD1 PHE 6 7.910 0.839 -8.836
47 HD2 PHE 6 HD2 PHE 6 4.167 2.655 -9.668
48 HE1 PHE 6 HE1 PHE 6 9.049 2.940 -9.240
49 HE2 PHE 6 HE2 PHE 6 5.301 4.797 -10.099
50 HZ PHE 6 HZ PHE 6 7.749 4.952 -9.887
51 H GLY 7 H GLY 7 5.160 -1.735 -5.835
52 HA2 GLY 7 HA2 GLY 7 3.036 -3.373 -6.848
53 HA3 GLY 7 HA1 GLY 7 4.066 -3.718 -5.457
54 H ASP 8 H ASP 8 1.200 -3.905 -5.724
55 HA ASP 8 HA ASP 8 -0.189 -1.781 -4.504
56 HB2 ASP 8 HB2 ASP 8 -1.283 -3.332 -5.754
57 HB3 ASP 8 HB1 ASP 8 -0.809 -4.701 -4.735
58 H CYS 9 H CYS 9 -0.748 -1.347 -2.516
59 HA CYS 9 HA CYS 9 0.085 -3.132 -0.380
60 HB2 CYS 9 HB2 CYS 9 1.455 -1.484 0.694
61 HB3 CYS 9 HB1 CYS 9 1.881 -1.666 -1.024
62 H GLU 10 H GLU 10 -0.930 -2.688 1.605
63 HA GLU 10 HA GLU 10 -3.296 -0.946 1.422
64 HB2 GLU 10 HB2 GLU 10 -2.693 -3.310 3.198
65 HB3 GLU 10 HB1 GLU 10 -4.216 -2.432 3.113
66 HG2 GLU 10 HG2 GLU 10 -4.662 -3.231 0.944
67 HG3 GLU 10 HG1 GLU 10 -3.025 -3.857 0.763
68 H LYS 11 H LYS 11 -0.503 -2.025 3.243
69 HA LYS 11 HA LYS 11 -0.451 0.395 4.784
70 HB2 LYS 11 HB2 LYS 11 0.108 -1.142 6.798
71 HB3 LYS 11 HB1 LYS 11 -1.577 -0.903 6.371
72 HG2 LYS 11 HG2 LYS 11 -1.539 -3.046 5.143
73 HG3 LYS 11 HG1 LYS 11 0.126 -3.289 5.659
74 HD2 LYS 11 HD2 LYS 11 -0.501 -3.517 7.912
75 HD3 LYS 11 HD1 LYS 11 -2.103 -2.837 7.619
76 HE2 LYS 11 HE2 LYS 11 -2.242 -5.243 7.920
77 HE3 LYS 11 HE1 LYS 11 -2.694 -4.795 6.283
78 HZ1 LYS 11 HZ1 LYS 11 -1.330 -6.723 6.261
79 HZ2 LYS 11 HZ2 LYS 11 -0.131 -6.017 7.161
80 HZ3 LYS 11 HZ3 LYS 11 -0.426 -5.488 5.560
81 H ASP 12 H ASP 12 1.683 0.399 5.980
82 HA ASP 12 HA ASP 12 3.750 0.081 4.044
83 HB2 ASP 12 HB2 ASP 12 3.929 0.781 6.976
84 HB3 ASP 12 HB1 ASP 12 5.290 0.823 5.862
85 H GLU 13 H GLU 13 2.480 -1.912 6.345
86 HA GLU 13 HA GLU 13 4.654 -3.545 7.144
87 HB2 GLU 13 HB2 GLU 13 2.386 -3.404 8.204
88 HB3 GLU 13 HB1 GLU 13 1.783 -4.258 6.784
89 HG2 GLU 13 HG2 GLU 13 3.134 -6.175 7.337
90 HG3 GLU 13 HG1 GLU 13 3.767 -5.336 8.758
91 H ASP 14 H ASP 14 2.662 -3.350 4.364
92 HA ASP 14 HA ASP 14 3.104 -6.034 3.467
93 HB2 ASP 14 HB2 ASP 14 1.993 -3.722 1.866
94 HB3 ASP 14 HB1 ASP 14 1.828 -5.443 1.559
95 H CYS 15 H CYS 15 4.544 -2.934 3.114
96 HA CYS 15 HA CYS 15 6.067 -3.649 0.749
97 HB2 CYS 15 HB2 CYS 15 6.278 -1.172 2.465
98 HB3 CYS 15 HB1 CYS 15 6.878 -1.395 0.832
99 H CYS 16 H CYS 16 8.433 -3.441 0.824
100 HA CYS 16 HA CYS 16 9.627 -4.745 2.995
101 HB2 CYS 16 HB2 CYS 16 10.999 -3.103 0.893
102 HB3 CYS 16 HB1 CYS 16 11.657 -4.441 1.744
103 H LYS 17 H LYS 17 11.712 -3.671 3.880
104 HA LYS 17 HA LYS 17 10.800 -1.758 5.802
105 HB2 LYS 17 HB2 LYS 17 13.590 -2.654 5.190
106 HB3 LYS 17 HB1 LYS 17 13.074 -1.758 6.604
107 HG2 LYS 17 HG2 LYS 17 12.149 -4.496 5.854
108 HG3 LYS 17 HG1 LYS 17 13.442 -4.098 6.992
109 HD2 LYS 17 HD2 LYS 17 10.511 -3.326 7.247
110 HD3 LYS 17 HD1 LYS 17 11.306 -4.613 8.142
111 HE2 LYS 17 HE2 LYS 17 11.936 -1.654 8.335
112 HE3 LYS 17 HE1 LYS 17 11.055 -2.611 9.514
113 HZ1 LYS 17 HZ1 LYS 17 13.313 -2.325 10.219
114 HZ2 LYS 17 HZ2 LYS 17 13.921 -2.909 8.789
115 HZ3 LYS 17 HZ3 LYS 17 13.091 -3.950 9.834
116 H HIS 18 H HIS 18 13.121 -1.632 3.298
117 HA HIS 18 HA HIS 18 13.684 1.155 3.597
118 HB2 HIS 18 HB2 HIS 18 14.380 -0.750 1.370
119 HB3 HIS 18 HB1 HIS 18 14.840 0.948 1.344
120 HD1 HIS 18 HD1 HIS 18 15.971 -2.310 2.584
121 HD2 HIS 18 HD2 HIS 18 16.563 1.685 3.538
122 HE1 HIS 18 HE1 HIS 18 18.028 -2.233 4.034
123 H LEU 19 H LEU 19 10.908 -0.104 2.591
124 HA LEU 19 HA LEU 19 10.441 2.126 0.773
125 HB2 LEU 19 HB2 LEU 19 9.247 -0.634 0.694
126 HB3 LEU 19 HB1 LEU 19 8.524 0.727 -0.133
127 HG LEU 19 HG LEU 19 10.986 0.878 -1.155
128 HD11 LEU 19 HD11 LEU 19 11.857 -1.272 -1.684
129 HD12 LEU 19 HD12 LEU 19 10.597 -2.045 -0.738
130 HD13 LEU 19 HD13 LEU 19 11.829 -1.052 0.075
131 HD21 LEU 19 HD21 LEU 19 10.131 -0.323 -3.080
132 HD22 LEU 19 HD22 LEU 19 8.963 0.816 -2.391
133 HD23 LEU 19 HD23 LEU 19 8.793 -0.926 -2.097
134 H GLY 20 H GLY 20 7.962 2.448 0.621
135 HA2 GLY 20 HA2 GLY 20 6.635 2.224 3.177
136 HA3 GLY 20 HA1 GLY 20 6.978 3.857 2.591
137 H CYS 21 H CYS 21 4.418 2.670 2.927
138 HA CYS 21 HA CYS 21 3.513 2.034 0.231
139 HB2 CYS 21 HB2 CYS 21 2.778 0.558 1.988
140 HB3 CYS 21 HB1 CYS 21 2.203 1.908 2.949
141 H LYS 22 H LYS 22 2.899 3.722 -1.016
142 HA LYS 22 HA LYS 22 1.967 6.152 0.209
143 HB2 LYS 22 HB2 LYS 22 2.000 5.243 -2.665
144 HB3 LYS 22 HB1 LYS 22 1.286 6.760 -2.157
145 HG2 LYS 22 HG2 LYS 22 4.034 5.871 -1.815
146 HG3 LYS 22 HG1 LYS 22 3.529 7.049 -3.066
147 HD2 LYS 22 HD2 LYS 22 2.690 8.369 -0.950
148 HD3 LYS 22 HD1 LYS 22 3.797 7.328 -0.067
149 HE2 LYS 22 HE2 LYS 22 4.473 9.264 -2.280
150 HE3 LYS 22 HE1 LYS 22 4.887 9.417 -0.579
151 HZ1 LYS 22 HZ1 LYS 22 6.310 7.399 -0.867
152 HZ2 LYS 22 HZ2 LYS 22 6.779 8.708 -1.802
153 HZ3 LYS 22 HZ3 LYS 22 5.943 7.457 -2.524
154 H ARG 23 H ARG 23 0.128 6.207 1.028
155 HA ARG 23 HA ARG 23 -1.714 4.078 0.525
156 HB2 ARG 23 HB2 ARG 23 -2.166 6.473 2.324
157 HB3 ARG 23 HB1 ARG 23 -3.093 4.986 2.320
158 HG2 ARG 23 HG2 ARG 23 -1.757 4.650 4.176
159 HG3 ARG 23 HG1 ARG 23 -0.754 3.917 2.918
160 HD2 ARG 23 HD2 ARG 23 0.542 5.984 2.729
161 HD3 ARG 23 HD1 ARG 23 -0.467 6.734 3.964
162 HE ARG 23 HE ARG 23 1.078 4.330 4.564
163 HH11 ARG 23 HH11 ARG 23 0.541 7.807 5.064
164 HH12 ARG 23 HH12 ARG 23 1.638 7.923 6.343
165 HH21 ARG 23 HH21 ARG 23 2.616 4.527 6.309
166 HH22 ARG 23 HH22 ARG 23 2.814 6.033 7.105
167 H LYS 24 H LYS 24 -1.048 6.981 -0.815
168 HA LYS 24 HA LYS 24 -3.837 7.554 -1.514
169 HB2 LYS 24 HB2 LYS 24 -2.351 9.416 -0.826
170 HB3 LYS 24 HB1 LYS 24 -1.338 9.089 -2.225
171 HG2 LYS 24 HG2 LYS 24 -3.115 9.696 -3.711
172 HG3 LYS 24 HG1 LYS 24 -4.231 9.877 -2.356
173 HD2 LYS 24 HD2 LYS 24 -2.815 11.664 -1.455
174 HD3 LYS 24 HD1 LYS 24 -1.751 11.506 -2.853
175 HE2 LYS 24 HE2 LYS 24 -3.531 12.134 -4.337
176 HE3 LYS 24 HE1 LYS 24 -4.682 12.144 -3.004
177 HZ1 LYS 24 HZ1 LYS 24 -2.347 13.963 -3.255
178 HZ2 LYS 24 HZ2 LYS 24 -3.508 13.985 -2.032
179 HZ3 LYS 24 HZ3 LYS 24 -3.947 14.350 -3.614
180 H MET 25 H MET 25 -1.024 6.124 -2.668
181 HA MET 25 HA MET 25 -2.090 6.097 -5.392
182 HB2 MET 25 HB2 MET 25 0.733 5.833 -4.401
183 HB3 MET 25 HB1 MET 25 0.242 5.559 -6.051
184 HG2 MET 25 HG2 MET 25 -0.042 8.150 -4.547
185 HG3 MET 25 HG1 MET 25 1.173 7.786 -5.770
186 HE1 MET 25 HE1 MET 25 0.607 7.408 -8.354
187 HE2 MET 25 HE2 MET 25 -1.026 7.485 -9.013
188 HE3 MET 25 HE3 MET 25 -0.572 6.155 -7.951
189 H LYS 26 H LYS 26 -1.702 4.263 -2.670
190 HA LYS 26 HA LYS 26 -2.010 2.181 -2.090
191 HB2 LYS 26 HB2 LYS 26 -3.256 1.932 -4.834
192 HB3 LYS 26 HB1 LYS 26 -3.294 0.654 -3.642
193 HG2 LYS 26 HG2 LYS 26 -5.412 1.831 -3.556
194 HG3 LYS 26 HG1 LYS 26 -4.478 2.173 -2.092
195 HD2 LYS 26 HD2 LYS 26 -3.756 4.259 -2.990
196 HD3 LYS 26 HD1 LYS 26 -4.602 3.974 -4.487
197 HE2 LYS 26 HE2 LYS 26 -5.935 5.484 -3.094
198 HE3 LYS 26 HE1 LYS 26 -6.768 3.946 -3.281
199 HZ1 LYS 26 HZ1 LYS 26 -5.165 4.747 -0.901
200 HZ2 LYS 26 HZ2 LYS 26 -6.039 3.322 -1.041
201 HZ3 LYS 26 HZ3 LYS 26 -6.829 4.806 -1.002
202 H TYR 27 H TYR 27 0.388 2.950 -3.270
203 HA TYR 27 HA TYR 27 1.388 0.247 -3.708
204 HB2 TYR 27 HB2 TYR 27 2.792 0.650 -5.600
205 HB3 TYR 27 HB1 TYR 27 1.139 1.004 -6.014
206 HD1 TYR 27 HD1 TYR 27 4.434 2.519 -5.200
207 HD2 TYR 27 HD2 TYR 27 0.610 3.174 -6.921
208 HE1 TYR 27 HE1 TYR 27 5.233 4.641 -6.130
209 HE2 TYR 27 HE2 TYR 27 1.405 5.306 -7.848
210 HH TYR 27 HH TYR 27 3.204 7.004 -7.267
211 H CYS 28 H CYS 28 3.599 -0.049 -3.604
212 HA CYS 28 HA CYS 28 4.668 1.466 -1.392
213 HB2 CYS 28 HB2 CYS 28 5.941 -0.857 -2.866
214 HB3 CYS 28 HB1 CYS 28 6.444 -0.191 -1.325
215 H ALA 29 H ALA 29 6.145 2.933 -1.475
216 HA ALA 29 HA ALA 29 7.721 3.350 -3.906
217 HB1 ALA 29 HB1 ALA 29 6.565 5.438 -2.043
218 HB2 ALA 29 HB2 ALA 29 6.001 5.089 -3.675
219 HB3 ALA 29 HB3 ALA 29 7.612 5.759 -3.429
220 H TRP 30 H TRP 30 9.627 5.119 -2.798
221 HA TRP 30 HA TRP 30 10.883 3.228 -1.060
222 HB2 TRP 30 HB2 TRP 30 11.910 5.824 -2.173
223 HB3 TRP 30 HB1 TRP 30 12.837 4.828 -1.063
224 HD1 TRP 30 HD TRP 30 12.085 5.206 -4.657
225 HE1 TRP 30 HE1 TRP 30 13.075 3.215 -5.968
226 HE3 TRP 30 HE3 TRP 30 13.151 2.306 -0.808
227 HZ2 TRP 30 HZ2 TRP 30 14.187 0.687 -5.385
228 HZ3 TRP 30 HZ3 TRP 30 14.208 0.038 -1.168
229 HH2 TRP 30 HH TRP 30 14.703 -0.728 -3.435
230 H ASP 31 H ASP 31 8.695 5.461 -0.365
231 HA ASP 31 HA ASP 31 9.048 5.318 2.343
232 HB2 ASP 31 HB2 ASP 31 9.461 7.633 2.925
233 HB3 ASP 31 HB1 ASP 31 10.764 7.089 1.875
234 H PHE 32 H PHE 32 7.380 6.609 3.275
235 HA PHE 32 HA PHE 32 4.977 6.317 1.599
236 HB2 PHE 32 HB2 PHE 32 3.765 6.115 3.803
237 HB3 PHE 32 HB1 PHE 32 4.869 4.814 3.385
238 HD1 PHE 32 HD1 PHE 32 6.460 4.126 4.918
239 HD2 PHE 32 HD2 PHE 32 4.708 7.979 5.385
240 HE1 PHE 32 HE1 PHE 32 7.591 4.376 7.078
241 HE2 PHE 32 HE2 PHE 32 5.841 8.227 7.552
242 HZ PHE 32 HZ PHE 32 7.283 6.422 8.397
243 H THR 33 H THR 33 6.752 8.891 2.439
244 HA THR 33 HA THR 33 4.647 10.455 3.616
245 HB THR 33 HB THR 33 7.430 11.267 2.741
246 HG1 THR 33 HG1 THR 33 6.368 10.285 5.186
247 HG21 THR 33 HG21 THR 33 5.879 13.153 3.156
248 HG22 THR 33 HG22 THR 33 7.138 13.066 4.395
249 HG23 THR 33 HG23 THR 33 5.512 12.473 4.743
250 H PHE 34 H PHE 34 3.354 11.900 2.521
251 HA PHE 34 HA PHE 34 2.868 11.690 -0.205
252 HB2 PHE 34 HB2 PHE 34 2.317 14.113 1.527
253 HB3 PHE 34 HB1 PHE 34 1.639 13.840 -0.063
254 HD1 PHE 34 HD1 PHE 34 0.414 11.420 -0.217
255 HD2 PHE 34 HD2 PHE 34 0.958 13.745 3.290
256 HE1 PHE 34 HE1 PHE 34 -1.544 10.332 0.807
257 HE2 PHE 34 HE2 PHE 34 -0.986 12.663 4.323
258 HZ PHE 34 HZ PHE 34 -2.242 10.951 3.079
259 H THR 35 H THR 35 4.566 14.306 1.425
260 HA THR 35 HA THR 35 5.754 15.069 -1.146
261 HB THR 35 HB THR 35 5.571 16.692 1.397
262 HG1 THR 35 HG1 THR 35 3.856 16.397 -0.845
263 HG21 THR 35 HG21 THR 35 7.359 17.388 -0.156
264 HG22 THR 35 HG22 THR 35 6.066 18.586 -0.099
265 HG23 THR 35 HG23 THR 35 6.181 17.478 -1.466
Start of MODEL 20
1 H1 ASP 1 HT1 ASP 1 5.471 -12.497 0.409
2 H2 ASP 1 HT2 ASP 1 5.989 -12.290 1.974
3 H3 ASP 1 HT3 ASP 1 6.644 -13.534 1.030
4 HA ASP 1 HA ASP 1 8.160 -11.628 1.213
5 HB2 ASP 1 HB2 ASP 1 8.610 -11.341 -1.161
6 HB3 ASP 1 HB1 ASP 1 8.082 -12.994 -0.905
7 H CYS 2 H CYS 2 8.529 -9.324 0.626
8 HA CYS 2 HA CYS 2 6.113 -7.791 1.113
9 HB2 CYS 2 HB2 CYS 2 7.712 -5.956 1.321
10 HB3 CYS 2 HB1 CYS 2 7.892 -7.218 2.525
11 H ARG 3 H ARG 3 5.884 -5.831 0.039
12 HA ARG 3 HA ARG 3 6.124 -6.243 -2.839
13 HB2 ARG 3 HB2 ARG 3 4.637 -4.063 -1.375
14 HB3 ARG 3 HB1 ARG 3 4.432 -4.549 -3.056
15 HG2 ARG 3 HG2 ARG 3 3.676 -6.098 -0.593
16 HG3 ARG 3 HG1 ARG 3 2.592 -5.376 -1.782
17 HD2 ARG 3 HD2 ARG 3 3.321 -6.933 -3.465
18 HD3 ARG 3 HD1 ARG 3 4.585 -7.545 -2.399
19 HE ARG 3 HE ARG 3 1.819 -7.740 -1.573
20 HH11 ARG 3 HH11 ARG 3 4.703 -9.344 -2.822
21 HH12 ARG 3 HH12 ARG 3 4.343 -10.888 -2.234
22 HH21 ARG 3 HH21 ARG 3 1.245 -9.893 -0.750
23 HH22 ARG 3 HH22 ARG 3 2.242 -11.232 -1.086
24 H TYR 4 H TYR 4 7.477 -5.078 -4.088
25 HA TYR 4 HA TYR 4 9.181 -3.232 -2.814
26 HB2 TYR 4 HB2 TYR 4 8.995 -4.346 -5.590
27 HB3 TYR 4 HB1 TYR 4 10.166 -3.176 -5.089
28 HD1 TYR 4 HD1 TYR 4 9.739 -6.572 -5.594
29 HD2 TYR 4 HD2 TYR 4 11.451 -3.865 -2.774
30 HE1 TYR 4 HE1 TYR 4 11.255 -8.338 -4.795
31 HE2 TYR 4 HE2 TYR 4 12.941 -5.593 -1.998
32 HH TYR 4 HH TYR 4 13.032 -8.021 -1.934
33 H MET 5 H MET 5 9.642 -1.480 -4.806
34 HA MET 5 HA MET 5 7.547 0.394 -4.405
35 HB2 MET 5 HB2 MET 5 10.080 0.802 -5.055
36 HB3 MET 5 HB1 MET 5 9.467 0.652 -6.695
37 HG2 MET 5 HG2 MET 5 7.855 2.451 -6.229
38 HG3 MET 5 HG1 MET 5 8.570 2.611 -4.625
39 HE1 MET 5 HE1 MET 5 9.325 5.020 -4.662
40 HE2 MET 5 HE2 MET 5 8.302 5.161 -6.102
41 HE3 MET 5 HE3 MET 5 9.937 5.851 -6.090
42 H PHE 6 H PHE 6 5.829 0.856 -5.559
43 HA PHE 6 HA PHE 6 4.227 0.876 -7.111
44 HB2 PHE 6 HB2 PHE 6 6.079 -0.682 -8.949
45 HB3 PHE 6 HB1 PHE 6 4.524 -0.004 -9.423
46 HD1 PHE 6 HD1 PHE 6 4.238 2.470 -9.463
47 HD2 PHE 6 HD2 PHE 6 8.022 0.643 -8.839
48 HE1 PHE 6 HE1 PHE 6 5.354 4.594 -9.993
49 HE2 PHE 6 HE2 PHE 6 9.143 2.745 -9.353
50 HZ PHE 6 HZ PHE 6 7.809 4.738 -9.941
51 H GLY 7 H GLY 7 5.195 -1.654 -5.400
52 HA2 GLY 7 HA2 GLY 7 3.227 -3.561 -6.363
53 HA3 GLY 7 HA1 GLY 7 4.238 -3.729 -4.931
54 H ASP 8 H ASP 8 1.349 -4.078 -5.243
55 HA ASP 8 HA ASP 8 -0.074 -1.841 -4.213
56 HB2 ASP 8 HB2 ASP 8 -1.163 -3.440 -5.439
57 HB3 ASP 8 HB1 ASP 8 -0.766 -4.760 -4.332
58 H CYS 9 H CYS 9 -0.798 -1.357 -2.231
59 HA CYS 9 HA CYS 9 0.007 -3.056 -0.024
60 HB2 CYS 9 HB2 CYS 9 1.396 -1.386 1.005
61 HB3 CYS 9 HB1 CYS 9 1.867 -1.686 -0.684
62 H GLU 10 H GLU 10 -1.024 -2.519 1.942
63 HA GLU 10 HA GLU 10 -3.171 -0.522 1.736
64 HB2 GLU 10 HB2 GLU 10 -2.928 -2.903 3.558
65 HB3 GLU 10 HB1 GLU 10 -4.298 -1.820 3.447
66 HG2 GLU 10 HG2 GLU 10 -4.833 -2.610 1.253
67 HG3 GLU 10 HG1 GLU 10 -3.358 -3.574 1.195
68 H LYS 11 H LYS 11 -0.526 -1.946 3.601
69 HA LYS 11 HA LYS 11 -0.270 0.537 5.034
70 HB2 LYS 11 HB2 LYS 11 0.215 -0.668 7.145
71 HB3 LYS 11 HB1 LYS 11 -1.452 -0.826 6.642
72 HG2 LYS 11 HG2 LYS 11 -0.978 -3.094 5.827
73 HG3 LYS 11 HG1 LYS 11 0.705 -2.910 6.330
74 HD2 LYS 11 HD2 LYS 11 0.025 -2.612 8.624
75 HD3 LYS 11 HD1 LYS 11 -1.677 -2.711 8.175
76 HE2 LYS 11 HE2 LYS 11 0.377 -4.920 7.926
77 HE3 LYS 11 HE1 LYS 11 -0.856 -4.804 9.172
78 HZ1 LYS 11 HZ1 LYS 11 -1.563 -6.315 7.490
79 HZ2 LYS 11 HZ2 LYS 11 -1.282 -5.231 6.275
80 HZ3 LYS 11 HZ3 LYS 11 -2.538 -4.947 7.374
81 H ASP 12 H ASP 12 1.924 0.237 6.356
82 HA ASP 12 HA ASP 12 3.819 0.052 4.211
83 HB2 ASP 12 HB2 ASP 12 4.351 0.493 7.147
84 HB3 ASP 12 HB1 ASP 12 5.521 0.703 5.852
85 H GLU 13 H GLU 13 2.645 -2.117 6.466
86 HA GLU 13 HA GLU 13 4.802 -3.884 6.936
87 HB2 GLU 13 HB2 GLU 13 2.511 -3.949 8.030
88 HB3 GLU 13 HB1 GLU 13 1.958 -4.577 6.472
89 HG2 GLU 13 HG2 GLU 13 2.254 -6.360 8.140
90 HG3 GLU 13 HG1 GLU 13 3.260 -6.561 6.709
91 H ASP 14 H ASP 14 2.490 -3.504 4.361
92 HA ASP 14 HA ASP 14 2.944 -5.926 3.005
93 HB2 ASP 14 HB2 ASP 14 1.979 -3.278 1.899
94 HB3 ASP 14 HB1 ASP 14 1.945 -4.829 1.073
95 H CYS 15 H CYS 15 4.555 -2.881 2.988
96 HA CYS 15 HA CYS 15 6.100 -3.481 0.619
97 HB2 CYS 15 HB2 CYS 15 6.392 -1.171 2.506
98 HB3 CYS 15 HB1 CYS 15 6.928 -1.281 0.841
99 H CYS 16 H CYS 16 8.377 -3.496 0.681
100 HA CYS 16 HA CYS 16 9.591 -4.914 2.749
101 HB2 CYS 16 HB2 CYS 16 10.921 -3.283 0.599
102 HB3 CYS 16 HB1 CYS 16 11.608 -4.595 1.470
103 H LYS 17 H LYS 17 11.884 -3.943 3.478
104 HA LYS 17 HA LYS 17 11.156 -2.226 5.650
105 HB2 LYS 17 HB2 LYS 17 13.928 -2.910 4.746
106 HB3 LYS 17 HB1 LYS 17 13.440 -2.328 6.317
107 HG2 LYS 17 HG2 LYS 17 12.771 -5.013 5.140
108 HG3 LYS 17 HG1 LYS 17 14.046 -4.655 6.288
109 HD2 LYS 17 HD2 LYS 17 12.307 -5.555 7.625
110 HD3 LYS 17 HD1 LYS 17 12.110 -3.816 7.817
111 HE2 LYS 17 HE2 LYS 17 10.304 -3.855 6.114
112 HE3 LYS 17 HE1 LYS 17 10.545 -5.583 5.931
113 HZ1 LYS 17 HZ1 LYS 17 9.744 -4.276 8.457
114 HZ2 LYS 17 HZ2 LYS 17 9.825 -5.932 8.155
115 HZ3 LYS 17 HZ3 LYS 17 8.678 -4.983 7.367
116 H HIS 18 H HIS 18 13.296 -1.777 3.005
117 HA HIS 18 HA HIS 18 13.825 0.995 3.575
118 HB2 HIS 18 HB2 HIS 18 14.403 -0.619 1.080
119 HB3 HIS 18 HB1 HIS 18 14.927 1.040 1.310
120 HD1 HIS 18 HD1 HIS 18 17.276 1.228 2.185
121 HD2 HIS 18 HD2 HIS 18 15.494 -2.367 3.251
122 HE1 HIS 18 HE1 HIS 18 19.050 -0.112 3.369
123 H LEU 19 H LEU 19 10.976 -0.052 2.795
124 HA LEU 19 HA LEU 19 10.358 2.076 0.856
125 HB2 LEU 19 HB2 LEU 19 9.152 -0.691 1.037
126 HB3 LEU 19 HB1 LEU 19 8.616 0.582 -0.030
127 HG LEU 19 HG LEU 19 11.399 -0.578 -0.210
128 HD11 LEU 19 HD11 LEU 19 8.957 -1.287 -1.789
129 HD12 LEU 19 HD12 LEU 19 9.685 -2.324 -0.562
130 HD13 LEU 19 HD13 LEU 19 10.594 -1.887 -2.027
131 HD21 LEU 19 HD21 LEU 19 9.678 0.973 -2.118
132 HD22 LEU 19 HD22 LEU 19 11.270 0.294 -2.456
133 HD23 LEU 19 HD23 LEU 19 11.102 1.572 -1.256
134 H GLY 20 H GLY 20 7.902 2.370 0.877
135 HA2 GLY 20 HA2 GLY 20 6.629 1.960 3.445
136 HA3 GLY 20 HA1 GLY 20 6.896 3.638 2.949
137 H CYS 21 H CYS 21 4.333 2.782 3.232
138 HA CYS 21 HA CYS 21 3.463 2.035 0.526
139 HB2 CYS 21 HB2 CYS 21 2.595 0.638 2.292
140 HB3 CYS 21 HB1 CYS 21 1.986 2.041 3.157
141 H LYS 22 H LYS 22 2.543 3.452 -0.824
142 HA LYS 22 HA LYS 22 1.699 5.979 0.289
143 HB2 LYS 22 HB2 LYS 22 2.607 5.199 -2.408
144 HB3 LYS 22 HB1 LYS 22 1.356 6.434 -2.331
145 HG2 LYS 22 HG2 LYS 22 3.873 6.540 -0.755
146 HG3 LYS 22 HG1 LYS 22 3.723 7.275 -2.366
147 HD2 LYS 22 HD2 LYS 22 1.920 7.903 -0.014
148 HD3 LYS 22 HD1 LYS 22 3.356 8.856 -0.388
149 HE2 LYS 22 HE2 LYS 22 2.358 9.318 -2.633
150 HE3 LYS 22 HE1 LYS 22 0.908 8.455 -2.125
151 HZ1 LYS 22 HZ1 LYS 22 0.619 10.115 -0.344
152 HZ2 LYS 22 HZ2 LYS 22 0.652 10.863 -1.839
153 HZ3 LYS 22 HZ3 LYS 22 2.001 10.916 -0.866
154 H ARG 23 H ARG 23 -0.144 6.114 0.920
155 HA ARG 23 HA ARG 23 -2.174 4.276 0.276
156 HB2 ARG 23 HB2 ARG 23 -2.165 6.769 1.931
157 HB3 ARG 23 HB1 ARG 23 -3.625 5.843 1.657
158 HG2 ARG 23 HG2 ARG 23 -2.728 5.260 3.772
159 HG3 ARG 23 HG1 ARG 23 -2.509 3.888 2.676
160 HD2 ARG 23 HD2 ARG 23 -0.142 4.493 2.459
161 HD3 ARG 23 HD1 ARG 23 -0.410 5.877 3.521
162 HE ARG 23 HE ARG 23 -1.370 3.699 4.856
163 HH11 ARG 23 HH11 ARG 23 1.856 4.629 3.667
164 HH12 ARG 23 HH12 ARG 23 2.681 3.862 4.949
165 HH21 ARG 23 HH21 ARG 23 -0.169 2.682 6.614
166 HH22 ARG 23 HH22 ARG 23 1.552 2.801 6.601
167 H LYS 24 H LYS 24 -1.218 7.030 -1.243
168 HA LYS 24 HA LYS 24 -3.875 7.770 -2.228
169 HB2 LYS 24 HB2 LYS 24 -2.348 9.577 -1.675
170 HB3 LYS 24 HB1 LYS 24 -1.130 8.917 -2.752
171 HG2 LYS 24 HG2 LYS 24 -2.717 9.311 -4.647
172 HG3 LYS 24 HG1 LYS 24 -3.761 10.163 -3.509
173 HD2 LYS 24 HD2 LYS 24 -2.076 11.795 -3.079
174 HD3 LYS 24 HD1 LYS 24 -0.882 10.872 -3.995
175 HE2 LYS 24 HE2 LYS 24 -2.272 11.203 -6.018
176 HE3 LYS 24 HE1 LYS 24 -3.350 12.214 -5.055
177 HZ1 LYS 24 HZ1 LYS 24 -1.756 13.514 -6.316
178 HZ2 LYS 24 HZ2 LYS 24 -0.478 12.747 -5.545
179 HZ3 LYS 24 HZ3 LYS 24 -1.520 13.729 -4.659
180 H MET 25 H MET 25 -1.090 6.010 -3.076
181 HA MET 25 HA MET 25 -1.952 5.932 -5.871
182 HB2 MET 25 HB2 MET 25 0.809 5.246 -4.834
183 HB3 MET 25 HB1 MET 25 0.264 5.473 -6.462
184 HG2 MET 25 HG2 MET 25 0.497 7.631 -4.390
185 HG3 MET 25 HG1 MET 25 1.545 7.384 -5.781
186 HE1 MET 25 HE1 MET 25 0.681 7.680 -8.319
187 HE2 MET 25 HE2 MET 25 -0.930 8.258 -8.739
188 HE3 MET 25 HE3 MET 25 -0.726 6.655 -8.031
189 H LYS 26 H LYS 26 -1.786 4.185 -3.029
190 HA LYS 26 HA LYS 26 -2.137 2.082 -2.378
191 HB2 LYS 26 HB2 LYS 26 -3.112 1.551 -5.195
192 HB3 LYS 26 HB1 LYS 26 -3.389 0.537 -3.799
193 HG2 LYS 26 HG2 LYS 26 -4.508 3.284 -4.282
194 HG3 LYS 26 HG1 LYS 26 -5.393 1.759 -4.139
195 HD2 LYS 26 HD2 LYS 26 -4.619 1.555 -1.816
196 HD3 LYS 26 HD1 LYS 26 -3.765 3.087 -2.008
197 HE2 LYS 26 HE2 LYS 26 -5.924 4.198 -2.460
198 HE3 LYS 26 HE1 LYS 26 -6.747 2.668 -2.151
199 HZ1 LYS 26 HZ1 LYS 26 -6.743 4.132 -0.205
200 HZ2 LYS 26 HZ2 LYS 26 -5.071 4.147 -0.221
201 HZ3 LYS 26 HZ3 LYS 26 -5.887 2.706 0.113
202 H TYR 27 H TYR 27 0.323 2.834 -3.291
203 HA TYR 27 HA TYR 27 1.365 0.187 -3.657
204 HB2 TYR 27 HB2 TYR 27 2.820 0.529 -5.517
205 HB3 TYR 27 HB1 TYR 27 1.180 0.841 -6.006
206 HD1 TYR 27 HD1 TYR 27 4.273 2.655 -4.861
207 HD2 TYR 27 HD2 TYR 27 0.830 2.759 -7.364
208 HE1 TYR 27 HE1 TYR 27 5.116 4.680 -5.905
209 HE2 TYR 27 HE2 TYR 27 1.671 4.828 -8.398
210 HH TYR 27 HH TYR 27 3.236 6.625 -7.984
211 H CYS 28 H CYS 28 3.547 -0.035 -3.450
212 HA CYS 28 HA CYS 28 4.495 1.487 -1.228
213 HB2 CYS 28 HB2 CYS 28 5.848 -0.713 -2.779
214 HB3 CYS 28 HB1 CYS 28 6.393 -0.058 -1.238
215 H ALA 29 H ALA 29 5.970 2.949 -1.126
216 HA ALA 29 HA ALA 29 7.484 3.755 -3.497
217 HB1 ALA 29 HB1 ALA 29 7.284 6.086 -2.649
218 HB2 ALA 29 HB2 ALA 29 6.239 5.503 -1.350
219 HB3 ALA 29 HB3 ALA 29 5.710 5.380 -3.030
220 H TRP 30 H TRP 30 9.206 5.566 -2.009
221 HA TRP 30 HA TRP 30 10.681 3.486 -0.671
222 HB2 TRP 30 HB2 TRP 30 11.524 6.292 -1.403
223 HB3 TRP 30 HB1 TRP 30 12.530 5.190 -0.477
224 HD1 TRP 30 HD TRP 30 11.581 6.001 -3.986
225 HE1 TRP 30 HE1 TRP 30 12.675 4.293 -5.578
226 HE3 TRP 30 HE3 TRP 30 13.142 2.774 -0.593
227 HZ2 TRP 30 HZ2 TRP 30 14.045 1.802 -5.367
228 HZ3 TRP 30 HZ3 TRP 30 14.382 0.683 -1.272
229 HH2 TRP 30 HH TRP 30 14.807 0.239 -3.635
230 H ASP 31 H ASP 31 8.434 5.595 0.317
231 HA ASP 31 HA ASP 31 8.755 5.006 2.994
232 HB2 ASP 31 HB2 ASP 31 10.427 6.820 2.766
233 HB3 ASP 31 HB1 ASP 31 9.208 7.875 2.061
234 H PHE 32 H PHE 32 6.897 6.303 3.962
235 HA PHE 32 HA PHE 32 4.630 5.951 2.213
236 HB2 PHE 32 HB2 PHE 32 3.249 6.620 4.206
237 HB3 PHE 32 HB1 PHE 32 4.282 5.226 4.463
238 HD1 PHE 32 HD1 PHE 32 3.859 8.819 5.204
239 HD2 PHE 32 HD2 PHE 32 5.946 5.243 6.105
240 HE1 PHE 32 HE1 PHE 32 4.788 9.869 7.221
241 HE2 PHE 32 HE2 PHE 32 6.881 6.281 8.113
242 HZ PHE 32 HZ PHE 32 6.305 8.602 8.675
243 H THR 33 H THR 33 6.670 8.465 2.984
244 HA THR 33 HA THR 33 4.800 10.563 2.293
245 HB THR 33 HB THR 33 7.750 10.774 2.842
246 HG1 THR 33 HG1 THR 33 7.015 9.783 4.615
247 HG21 THR 33 HG21 THR 33 6.643 12.775 1.944
248 HG22 THR 33 HG22 THR 33 7.124 13.033 3.622
249 HG23 THR 33 HG23 THR 33 5.439 12.687 3.229
250 H PHE 34 H PHE 34 4.543 10.889 0.144
251 HA PHE 34 HA PHE 34 6.812 11.208 -1.587
252 HB2 PHE 34 HB2 PHE 34 6.292 8.740 -1.665
253 HB3 PHE 34 HB1 PHE 34 4.671 9.149 -2.192
254 HD1 PHE 34 HD1 PHE 34 4.209 9.606 -4.460
255 HD2 PHE 34 HD2 PHE 34 8.227 9.222 -3.133
256 HE1 PHE 34 HE1 PHE 34 4.968 9.505 -6.801
257 HE2 PHE 34 HE2 PHE 34 8.998 9.126 -5.465
258 HZ PHE 34 HZ PHE 34 7.369 9.268 -7.303
259 H THR 35 H THR 35 6.306 12.984 -2.712
260 HA THR 35 HA THR 35 3.495 13.799 -2.814
261 HB THR 35 HB THR 35 5.974 15.461 -3.308
262 HG1 THR 35 HG1 THR 35 6.042 15.132 -1.210
263 HG21 THR 35 HG21 THR 35 3.087 16.265 -2.865
264 HG22 THR 35 HG22 THR 35 3.936 16.326 -4.409
265 HG23 THR 35 HG23 THR 35 4.443 17.374 -3.083