Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2276 | 1bmx RC | 4220 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 2H CYS 1 24.592 4.106 4.106
2 2H CYS 1 3H CYS 1 24.063 4.991 4.991
3 3H CYS 1 1H CYS 1 25.298 3.899 3.899
4 HA CYS 1 HA CYS 1 23.276 2.912 2.912
5 1HB CYS 1 1HB CYS 1 21.802 4.526 4.526
6 2HB CYS 1 2HB CYS 1 22.087 3.575 3.575
7 HG CYS 1 HG CYS 1 19.745 2.977 2.977
8 H SER 2 H SER 2 24.203 0.888 0.888
9 HA SER 2 HA SER 2 24.511 -0.903 -0.903
10 1HB SER 2 1HB SER 2 26.972 -1.194 -1.194
11 2HB SER 2 2HB SER 2 26.565 0.455 0.455
12 HG SER 2 HG SER 2 28.184 0.380 0.380
13 H ILE 3 H ILE 3 26.410 -1.046 -1.046
14 HA ILE 3 HA ILE 3 24.879 -3.440 -3.440
15 HB ILE 3 HB ILE 3 27.347 -3.135 -3.135
16 1HG1 ILE 3 2HG1 ILE 3 27.291 -3.760 -3.760
17 2HG1 ILE 3 1HG1 ILE 3 25.575 -3.405 -3.405
18 1HG2 ILE 3 1HG2 ILE 3 27.351 -0.659 -0.659
19 2HG2 ILE 3 2HG2 ILE 3 26.492 -1.001 -1.001
20 3HG2 ILE 3 3HG2 ILE 3 28.137 -1.634 -1.634
21 1HD1 ILE 3 3HD1 ILE 3 26.924 -5.570 -5.570
22 2HD1 ILE 3 1HD1 ILE 3 26.051 -5.864 -5.864
23 3HD1 ILE 3 2HD1 ILE 3 25.166 -5.289 -5.289
24 H LEU 4 H LEU 4 24.860 -0.001 -0.001
25 HA LEU 4 HA LEU 4 22.318 -0.197 -0.197
26 1HB LEU 4 1HB LEU 4 22.453 2.228 2.228
27 2HB LEU 4 2HB LEU 4 23.859 1.471 1.471
28 HG LEU 4 HG LEU 4 24.050 2.558 2.558
29 1HD1 LEU 4 2HD2 LEU 4 22.955 4.408 4.408
30 2HD1 LEU 4 3HD2 LEU 4 24.222 4.318 4.318
31 3HD1 LEU 4 1HD2 LEU 4 24.628 4.837 4.837
32 1HD2 LEU 4 2HD1 LEU 4 26.093 2.467 2.467
33 2HD2 LEU 4 3HD1 LEU 4 26.087 1.388 1.388
34 3HD2 LEU 4 1HD1 LEU 4 26.413 3.108 3.108
35 H ASP 5 H ASP 5 21.589 -1.404 -1.404
36 HA ASP 5 HA ASP 5 19.856 0.398 0.398
37 1HB ASP 5 1HB ASP 5 21.887 -0.575 -0.575
38 2HB ASP 5 2HB ASP 5 21.348 -2.196 -2.196
39 HD2 ASP 5 HD2 ASP 5 19.512 -2.324 -2.324
40 H ILE 6 H ILE 6 20.024 -3.098 -3.098
41 HA ILE 6 HA ILE 6 17.019 -3.297 -3.297
42 HB ILE 6 HB ILE 6 19.042 -5.538 -5.538
43 1HG1 ILE 6 2HG1 ILE 6 17.749 -4.571 -4.571
44 2HG1 ILE 6 1HG1 ILE 6 19.430 -4.372 -4.372
45 1HG2 ILE 6 3HG2 ILE 6 16.051 -5.536 -5.536
46 2HG2 ILE 6 1HG2 ILE 6 17.071 -6.993 -6.993
47 3HG2 ILE 6 2HG2 ILE 6 16.654 -6.052 -6.052
48 1HD1 ILE 6 3HD1 ILE 6 19.773 -6.867 -6.867
49 2HD1 ILE 6 1HD1 ILE 6 18.094 -7.076 -7.076
50 3HD1 ILE 6 2HD1 ILE 6 19.284 -6.221 -6.221
51 H ARG 7 H ARG 7 17.042 -1.827 -1.827
52 HA ARG 7 HA ARG 7 17.361 -2.498 -2.498
53 1HB ARG 7 1HB ARG 7 17.303 -0.184 -0.184
54 2HB ARG 7 2HB ARG 7 15.577 -0.318 -0.318
55 1HG ARG 7 1HG ARG 7 16.085 1.133 1.133
56 2HG ARG 7 2HG ARG 7 15.112 -0.203 -0.203
57 1HD ARG 7 1HD ARG 7 18.204 -0.129 -0.129
58 2HD ARG 7 2HD ARG 7 17.093 0.582 0.582
59 HE ARG 7 HE ARG 7 16.152 -2.127 -2.127
60 1HH1 ARG 7 2HH2 ARG 7 18.981 -0.697 -0.697
61 2HH1 ARG 7 1HH2 ARG 7 19.372 -2.237 -2.237
62 1HH2 ARG 7 1HH1 ARG 7 16.573 -3.785 -3.785
63 2HH2 ARG 7 2HH1 ARG 7 18.042 -3.924 -3.924
64 H GLN 8 H GLN 8 14.527 -3.098 -3.098
65 HA GLN 8 HA GLN 8 12.341 -4.036 -4.036
66 1HB GLN 8 1HB GLN 8 13.976 -5.371 -5.371
67 2HB GLN 8 2HB GLN 8 12.389 -5.894 -5.894
68 1HG GLN 8 1HG GLN 8 13.229 -6.439 -6.439
69 2HG GLN 8 2HG GLN 8 14.828 -5.833 -5.833
70 1HE2 GLN 8 2HE2 GLN 8 15.695 -8.886 -8.886
71 2HE2 GLN 8 1HE2 GLN 8 16.174 -7.138 -7.138
72 H GLY 9 H GLY 9 11.250 -2.134 -2.134
73 1HA GLY 9 1HA GLY 9 9.744 -2.320 -2.320
74 2HA GLY 9 2HA GLY 9 10.801 -0.926 -0.926
75 HA PRO 10 HA PRO 10 7.611 -0.109 -0.109
76 1HB PRO 10 1HB PRO 10 5.216 -1.776 -1.776
77 2HB PRO 10 2HB PRO 10 5.844 -1.518 -1.518
78 1HG PRO 10 1HG PRO 10 6.300 -3.898 -3.898
79 2HG PRO 10 2HG PRO 10 7.623 -3.141 -3.141
80 1HD PRO 10 1HD PRO 10 7.161 -3.036 -3.036
81 2HD PRO 10 2HD PRO 10 8.656 -3.436 -3.436
82 H LYS 11 H LYS 11 6.120 1.501 1.501
83 HA LYS 11 HA LYS 11 4.970 2.643 2.643
84 1HB LYS 11 1HB LYS 11 6.950 4.019 4.019
85 2HB LYS 11 2HB LYS 11 6.052 4.870 4.870
86 1HG LYS 11 1HG LYS 11 7.102 3.509 3.509
87 2HG LYS 11 2HG LYS 11 7.908 2.497 2.497
88 1HD LYS 11 1HD LYS 11 9.120 4.668 4.668
89 2HD LYS 11 2HD LYS 11 8.453 5.461 5.461
90 1HE LYS 11 1HE LYS 11 10.660 4.824 4.824
91 2HE LYS 11 2HE LYS 11 9.606 3.661 3.661
92 1HZ LYS 11 1HZ LYS 11 10.099 2.044 2.044
93 2HZ LYS 11 2HZ LYS 11 11.096 3.142 3.142
94 3HZ LYS 11 3HZ LYS 11 11.488 2.481 2.481
95 H GLU 12 H GLU 12 5.200 4.058 4.058
96 HA GLU 12 HA GLU 12 2.432 4.995 4.995
97 1HB GLU 12 2HB GLU 12 4.540 4.591 4.591
98 2HB GLU 12 1HB GLU 12 2.921 5.034 5.034
99 1HG GLU 12 1HG GLU 12 4.455 6.711 6.711
100 2HG GLU 12 2HG GLU 12 4.676 6.938 6.938
101 HE2 GLU 12 HE2 GLU 12 2.159 9.165 9.165
102 HA PRO 13 HA PRO 13 0.788 0.892 0.892
103 1HB PRO 13 1HB PRO 13 2.823 -0.919 -0.919
104 2HB PRO 13 2HB PRO 13 1.986 -1.200 -1.200
105 1HG PRO 13 1HG PRO 13 4.572 -0.401 -0.401
106 2HG PRO 13 2HG PRO 13 3.408 0.425 0.425
107 1HD PRO 13 1HD PRO 13 4.437 1.343 1.343
108 2HD PRO 13 2HD PRO 13 4.379 2.300 2.300
109 H PHE 14 H PHE 14 2.434 0.952 0.952
110 HA PHE 14 HA PHE 14 0.476 -0.936 -0.936
111 1HB PHE 14 1HB PHE 14 3.056 -1.149 -1.149
112 2HB PHE 14 2HB PHE 14 3.139 0.307 0.307
113 HD1 PHE 14 HD1 PHE 14 1.075 -2.924 -2.924
114 HD2 PHE 14 HD2 PHE 14 3.923 -0.331 -0.331
115 HE1 PHE 14 HE1 PHE 14 1.139 -4.423 -4.423
116 HE2 PHE 14 HE2 PHE 14 3.994 -1.856 -1.856
117 HZ PHE 14 HZ PHE 14 2.603 -3.901 -3.901
118 H ARG 15 H ARG 15 1.308 2.480 2.480
119 HA ARG 15 HA ARG 15 -0.893 2.650 2.650
120 1HB ARG 15 1HB ARG 15 1.141 4.814 4.814
121 2HB ARG 15 2HB ARG 15 0.049 4.952 4.952
122 1HG ARG 15 1HG ARG 15 2.510 3.091 3.091
123 2HG ARG 15 2HG ARG 15 2.390 4.604 4.604
124 1HD ARG 15 1HD ARG 15 2.270 2.977 2.977
125 2HD ARG 15 2HD ARG 15 0.613 3.590 3.590
126 HE ARG 15 HE ARG 15 0.602 1.342 1.342
127 1HH1 ARG 15 2HH2 ARG 15 1.342 1.722 1.722
128 2HH1 ARG 15 1HH2 ARG 15 0.806 0.013 0.013
129 1HH2 ARG 15 1HH1 ARG 15 0.077 -0.557 -0.557
130 2HH2 ARG 15 2HH1 ARG 15 0.127 -1.224 -1.224
131 H ASP 16 H ASP 16 -0.557 3.451 3.451
132 HA ASP 16 HA ASP 16 -3.353 4.462 4.462
133 1HB ASP 16 1HB ASP 16 -1.585 3.497 3.497
134 2HB ASP 16 2HB ASP 16 -3.217 4.104 4.104
135 HD1 ASP 16 HD2 ASP 16 -0.138 6.626 6.626
136 H TYR 17 H TYR 17 -2.069 1.539 1.539
137 HA TYR 17 HA TYR 17 -4.380 -0.116 -0.116
138 1HB TYR 17 1HB TYR 17 -2.533 -1.541 -1.541
139 2HB TYR 17 2HB TYR 17 -1.585 -0.855 -0.855
140 HD1 TYR 17 HD2 TYR 17 -4.706 -2.993 -2.993
141 HD2 TYR 17 HD1 TYR 17 -1.201 -2.046 -2.046
142 HE1 TYR 17 HE2 TYR 17 -5.333 -4.676 -4.676
143 HE2 TYR 17 HE1 TYR 17 -1.837 -3.727 -3.727
144 HH TYR 17 HH TYR 17 -4.956 -5.350 -5.350
145 H VAL 18 H VAL 18 -2.431 0.460 0.460
146 HA VAL 18 HA VAL 18 -4.351 -0.156 -0.156
147 HB VAL 18 HB VAL 18 -1.964 0.928 0.928
148 1HG1 VAL 18 2HG1 VAL 18 -2.747 3.202 3.202
149 2HG1 VAL 18 3HG1 VAL 18 -3.384 3.531 3.531
150 3HG1 VAL 18 1HG1 VAL 18 -1.625 3.204 3.204
151 1HG2 VAL 18 1HG2 VAL 18 -3.309 0.127 0.127
152 2HG2 VAL 18 2HG2 VAL 18 -2.311 1.574 1.574
153 3HG2 VAL 18 3HG2 VAL 18 -4.059 1.743 1.743
154 H ASP 19 H ASP 19 -4.539 2.878 2.878
155 HA ASP 19 HA ASP 19 -6.325 4.020 4.020
156 1HB ASP 19 2HB ASP 19 -4.684 5.217 5.217
157 2HB ASP 19 1HB ASP 19 -5.997 5.027 5.027
158 HD1 ASP 19 HD2 ASP 19 -6.260 7.677 7.677
159 H ARG 20 H ARG 20 -6.766 2.576 2.576
160 HA ARG 20 HA ARG 20 -9.604 2.523 2.523
161 1HB ARG 20 1HB ARG 20 -7.623 2.750 2.750
162 2HB ARG 20 2HB ARG 20 -6.885 1.333 1.333
163 1HG ARG 20 1HG ARG 20 -8.399 -0.192 -0.192
164 2HG ARG 20 2HG ARG 20 -9.681 0.986 0.986
165 1HD ARG 20 1HD ARG 20 -8.707 0.377 0.377
166 2HD ARG 20 2HD ARG 20 -8.598 2.115 2.115
167 HE ARG 20 HE ARG 20 -6.075 1.395 1.395
168 1HH1 ARG 20 2HH2 ARG 20 -7.725 0.614 0.614
169 2HH1 ARG 20 1HH2 ARG 20 -6.154 0.628 0.628
170 1HH2 ARG 20 1HH1 ARG 20 -4.384 1.382 1.382
171 2HH2 ARG 20 2HH1 ARG 20 -4.329 1.022 1.022
172 H PHE 21 H PHE 21 -7.143 0.144 0.144
173 HA PHE 21 HA PHE 21 -8.948 -1.881 -1.881
174 1HB PHE 21 2HB PHE 21 -6.254 -1.774 -1.774
175 2HB PHE 21 1HB PHE 21 -6.487 -1.077 -1.077
176 HD1 PHE 21 HD1 PHE 21 -7.656 -4.107 -4.107
177 HD2 PHE 21 HD2 PHE 21 -6.382 -2.585 -2.585
178 HE1 PHE 21 HE1 PHE 21 -7.689 -6.388 -6.388
179 HE2 PHE 21 HE2 PHE 21 -6.410 -4.875 -4.875
180 HZ PHE 21 HZ PHE 21 -7.058 -6.776 -6.776
181 H TYR 22 H TYR 22 -7.772 0.925 0.925
182 HA TYR 22 HA TYR 22 -9.441 0.421 0.421
183 1HB TYR 22 1HB TYR 22 -7.271 1.919 1.919
184 2HB TYR 22 2HB TYR 22 -8.300 3.167 3.167
185 HD1 TYR 22 HD1 TYR 22 -7.458 1.135 1.135
186 HD2 TYR 22 HD2 TYR 22 -9.770 4.460 4.460
187 HE1 TYR 22 HE1 TYR 22 -7.873 1.854 1.854
188 HE2 TYR 22 HE2 TYR 22 -10.173 5.176 5.176
189 HH TYR 22 HH TYR 22 -8.554 3.600 3.600
190 H LYS 23 H LYS 23 -10.314 2.575 2.575
191 HA LYS 23 HA LYS 23 -12.994 2.906 2.906
192 1HB LYS 23 2HB LYS 23 -12.015 4.635 4.635
193 2HB LYS 23 1HB LYS 23 -12.014 3.372 3.372
194 1HG LYS 23 1HG LYS 23 -13.860 5.113 5.113
195 2HG LYS 23 2HG LYS 23 -14.432 3.451 3.451
196 1HD LYS 23 1HD LYS 23 -14.901 3.761 3.761
197 2HD LYS 23 2HD LYS 23 -14.509 5.470 5.470
198 1HE LYS 23 1HE LYS 23 -16.437 5.800 5.800
199 2HE LYS 23 2HE LYS 23 -16.665 4.049 4.049
200 1HZ LYS 23 3HZ LYS 23 -17.127 3.926 3.926
201 2HZ LYS 23 1HZ LYS 23 -17.066 5.560 5.560
202 3HZ LYS 23 2HZ LYS 23 -18.273 4.834 4.834
203 H THR 24 H THR 24 -11.709 0.582 0.582
204 HA THR 24 HA THR 24 -14.106 -0.948 -0.948
205 HB THR 24 HB THR 24 -11.367 -2.108 -2.108
206 HG1 THR 24 HG1 THR 24 -11.307 -0.678 -0.678
207 1HG2 THR 24 3HG2 THR 24 -13.775 -3.275 -3.275
208 2HG2 THR 24 1HG2 THR 24 -12.133 -3.959 -3.959
209 3HG2 THR 24 2HG2 THR 24 -13.088 -3.957 -3.957
210 H LEU 25 H LEU 25 -11.761 -1.555 -1.555
211 HA LEU 25 HA LEU 25 -13.649 -2.981 -2.981
212 1HB LEU 25 1HB LEU 25 -10.935 -2.517 -2.517
213 2HB LEU 25 2HB LEU 25 -11.393 -1.178 -1.178
214 HG LEU 25 HG LEU 25 -11.914 -4.193 -4.193
215 1HD1 LEU 25 2HD1 LEU 25 -9.540 -3.441 -3.441
216 2HD1 LEU 25 3HD1 LEU 25 -10.042 -2.199 -2.199
217 3HD1 LEU 25 1HD1 LEU 25 -10.224 -3.931 -3.931
218 1HD2 LEU 25 1HD2 LEU 25 -12.691 -1.863 -1.863
219 2HD2 LEU 25 2HD2 LEU 25 -13.774 -3.074 -3.074
220 3HD2 LEU 25 3HD2 LEU 25 -12.618 -3.575 -3.575
221 H ARG 26 H ARG 26 -13.064 0.660 0.660
222 HA ARG 26 HA ARG 26 -15.548 0.960 0.960
223 1HB ARG 26 1HB ARG 26 -13.701 2.987 2.987
224 2HB ARG 26 2HB ARG 26 -15.130 3.506 3.506
225 1HG ARG 26 2HG ARG 26 -12.992 1.841 1.841
226 2HG ARG 26 1HG ARG 26 -12.768 3.555 3.555
227 1HD ARG 26 1HD ARG 26 -14.723 4.159 4.159
228 2HD ARG 26 2HD ARG 26 -15.389 2.543 2.543
229 HE ARG 26 HE ARG 26 -13.807 1.636 1.636
230 1HH1 ARG 26 2HH2 ARG 26 -12.912 4.930 4.930
231 2HH1 ARG 26 1HH2 ARG 26 -11.568 4.862 4.862
232 1HH2 ARG 26 1HH1 ARG 26 -12.455 1.649 1.649
233 2HH2 ARG 26 2HH1 ARG 26 -11.385 3.098 3.098
234 H ALA 27 H ALA 27 -15.528 -0.355 -0.355
235 HA ALA 27 HA ALA 27 -18.386 0.417 0.417
236 1HB ALA 27 1HB ALA 27 -17.465 0.700 0.700
237 2HB ALA 27 2HB ALA 27 -16.893 -0.986 -0.986
238 3HB ALA 27 3HB ALA 27 -18.638 -0.638 -0.638
239 H GLU 28 H GLU 28 -16.098 -2.318 -2.318
240 HA GLU 28 HA GLU 28 -18.100 -4.319 -4.319
241 1HB GLU 28 1HB GLU 28 -15.375 -3.942 -3.942
242 2HB GLU 28 2HB GLU 28 -16.353 -5.390 -5.390
243 1HG GLU 28 1HG GLU 28 -15.969 -5.565 -5.565
244 2HG GLU 28 2HG GLU 28 -14.902 -4.234 -4.234
245 HE1 GLU 28 HE2 GLU 28 -13.772 -7.771 -7.771
246 H GLN 29 H GLN 29 -16.529 -1.880 -1.880
247 HA GLN 29 HA GLN 29 -18.281 -2.363 -2.363
248 1HB GLN 29 2HB GLN 29 -16.642 0.184 0.184
249 2HB GLN 29 1HB GLN 29 -17.454 -0.139 -0.139
250 1HG GLN 29 2HG GLN 29 -15.923 -2.379 -2.379
251 2HG GLN 29 1HG GLN 29 -14.987 -1.498 -1.498
252 1HE2 GLN 29 2HE2 GLN 29 -14.797 -0.285 -0.285
253 2HE2 GLN 29 1HE2 GLN 29 -16.175 -1.355 -1.355
254 H ALA 30 H ALA 30 -18.504 0.035 0.035
255 HA ALA 30 HA ALA 30 -21.272 0.438 0.438
256 1HB ALA 30 1HB ALA 30 -19.795 2.753 2.753
257 2HB ALA 30 2HB ALA 30 -21.520 2.771 2.771
258 3HB ALA 30 3HB ALA 30 -20.926 1.601 1.601
259 H SER 31 H SER 31 -21.608 0.868 0.868
260 HA SER 31 HA SER 31 -19.573 2.029 2.029
261 1HB SER 31 1HB SER 31 -21.247 1.583 1.583
262 2HB SER 31 2HB SER 31 -21.197 0.221 0.221
263 HG SER 31 HG SER 31 -23.021 2.346 2.346
264 HXT SER 31 HO OH 32 -22.382 4.918 4.918
Start of MODEL 2
1 1H CYS 1 3H CYS 1 3.097 -14.861 -14.861
2 2H CYS 1 1H CYS 1 2.727 -16.299 -16.299
3 3H CYS 1 2H CYS 1 4.003 -16.194 -16.194
4 HA CYS 1 HA CYS 1 4.909 -16.261 -16.261
5 1HB CYS 1 1HB CYS 1 2.892 -13.936 -13.936
6 2HB CYS 1 2HB CYS 1 4.055 -14.505 -14.505
7 HG CYS 1 HG CYS 1 3.144 -16.788 -16.788
8 H SER 2 H SER 2 6.874 -15.196 -15.196
9 HA SER 2 HA SER 2 7.461 -12.440 -12.440
10 1HB SER 2 1HB SER 2 8.522 -14.776 -14.776
11 2HB SER 2 2HB SER 2 9.242 -13.163 -13.163
12 HG SER 2 HG SER 2 6.462 -13.241 -13.241
13 H ILE 3 H ILE 3 9.518 -15.353 -15.353
14 HA ILE 3 HA ILE 3 11.578 -14.007 -14.007
15 HB ILE 3 HB ILE 3 11.850 -16.064 -16.064
16 1HG1 ILE 3 1HG1 ILE 3 13.604 -17.207 -17.207
17 2HG1 ILE 3 2HG1 ILE 3 13.090 -16.295 -16.295
18 1HG2 ILE 3 1HG2 ILE 3 9.954 -17.449 -17.449
19 2HG2 ILE 3 2HG2 ILE 3 10.925 -17.652 -17.652
20 3HG2 ILE 3 3HG2 ILE 3 11.503 -18.315 -18.315
21 1HD1 ILE 3 2HD1 ILE 3 14.184 -15.011 -15.011
22 2HD1 ILE 3 3HD1 ILE 3 15.145 -15.341 -15.341
23 3HD1 ILE 3 1HD1 ILE 3 13.836 -14.146 -14.146
24 H LEU 4 H LEU 4 8.938 -15.888 -15.888
25 HA LEU 4 HA LEU 4 9.770 -14.929 -14.929
26 1HB LEU 4 1HB LEU 4 8.098 -16.606 -16.606
27 2HB LEU 4 2HB LEU 4 9.454 -17.285 -17.285
28 HG LEU 4 HG LEU 4 8.021 -17.779 -17.779
29 1HD1 LEU 4 3HD2 LEU 4 5.671 -16.775 -16.775
30 2HD1 LEU 4 1HD2 LEU 4 5.496 -17.710 -17.710
31 3HD1 LEU 4 2HD2 LEU 4 6.198 -16.083 -16.083
32 1HD2 LEU 4 2HD1 LEU 4 8.399 -19.501 -19.501
33 2HD2 LEU 4 3HD1 LEU 4 6.775 -19.667 -19.667
34 3HD2 LEU 4 1HD1 LEU 4 6.986 -18.920 -18.920
35 H ASP 5 H ASP 5 8.875 -13.051 -13.051
36 HA ASP 5 HA ASP 5 6.428 -11.891 -11.891
37 1HB ASP 5 1HB ASP 5 5.574 -13.441 -13.441
38 2HB ASP 5 2HB ASP 5 6.500 -12.587 -12.587
39 HD1 ASP 5 HD2 ASP 5 3.261 -10.817 -10.817
40 H ILE 6 H ILE 6 8.316 -11.183 -11.183
41 HA ILE 6 HA ILE 6 8.277 -8.214 -8.214
42 HB ILE 6 HB ILE 6 9.468 -9.613 -9.613
43 1HG1 ILE 6 1HG1 ILE 6 6.714 -8.288 -8.288
44 2HG1 ILE 6 2HG1 ILE 6 6.993 -9.971 -9.971
45 1HG2 ILE 6 3HG2 ILE 6 10.450 -7.303 -7.303
46 2HG2 ILE 6 1HG2 ILE 6 8.812 -6.615 -6.615
47 3HG2 ILE 6 2HG2 ILE 6 9.474 -7.263 -7.263
48 1HD1 ILE 6 1HD1 ILE 6 7.868 -9.416 -9.416
49 2HD1 ILE 6 2HD1 ILE 6 7.421 -7.707 -7.707
50 3HD1 ILE 6 3HD1 ILE 6 6.162 -8.963 -8.963
51 H ARG 7 H ARG 7 9.333 -8.787 -8.787
52 HA ARG 7 HA ARG 7 12.272 -8.510 -8.510
53 1HB ARG 7 1HB ARG 7 11.547 -10.974 -10.974
54 2HB ARG 7 2HB ARG 7 10.526 -10.836 -10.836
55 1HG ARG 7 1HG ARG 7 12.658 -10.479 -10.479
56 2HG ARG 7 2HG ARG 7 13.609 -10.550 -10.550
57 1HD ARG 7 1HD ARG 7 13.796 -12.724 -12.724
58 2HD ARG 7 2HD ARG 7 12.758 -12.922 -12.922
59 HE ARG 7 HE ARG 7 11.078 -12.420 -12.420
60 1HH1 ARG 7 2HH2 ARG 7 12.949 -14.960 -14.960
61 2HH1 ARG 7 1HH2 ARG 7 12.086 -16.246 -16.246
62 1HH2 ARG 7 1HH1 ARG 7 10.129 -13.828 -13.828
63 2HH2 ARG 7 2HH1 ARG 7 10.522 -15.617 -15.617
64 H GLN 8 H GLN 8 9.109 -8.059 -8.059
65 HA GLN 8 HA GLN 8 10.340 -7.129 -7.129
66 1HB GLN 8 1HB GLN 8 8.092 -9.212 -9.212
67 2HB GLN 8 2HB GLN 8 8.306 -8.340 -8.340
68 1HG GLN 8 1HG GLN 8 10.489 -9.308 -9.308
69 2HG GLN 8 2HG GLN 8 10.697 -9.865 -9.865
70 1HE2 GLN 8 2HE2 GLN 8 8.406 -12.248 -12.248
71 2HE2 GLN 8 1HE2 GLN 8 8.598 -10.457 -10.457
72 H GLY 9 H GLY 9 9.947 -5.016 -5.016
73 1HA GLY 9 1HA GLY 9 7.106 -4.073 -4.073
74 2HA GLY 9 2HA GLY 9 8.586 -3.265 -3.265
75 HA PRO 10 HA PRO 10 7.592 -2.333 -2.333
76 1HB PRO 10 1HB PRO 10 4.614 -1.809 -1.809
77 2HB PRO 10 2HB PRO 10 5.333 -2.311 -2.311
78 1HG PRO 10 1HG PRO 10 4.159 -4.201 -4.201
79 2HG PRO 10 2HG PRO 10 5.750 -4.569 -4.569
80 1HD PRO 10 1HD PRO 10 5.130 -3.685 -3.685
81 2HD PRO 10 2HD PRO 10 6.241 -4.964 -4.964
82 H LYS 11 H LYS 11 7.208 -0.232 -0.232
83 HA LYS 11 HA LYS 11 7.312 2.104 2.104
84 1HB LYS 11 1HB LYS 11 9.258 1.613 1.613
85 2HB LYS 11 2HB LYS 11 9.235 3.057 3.057
86 1HG LYS 11 1HG LYS 11 9.834 0.264 0.264
87 2HG LYS 11 2HG LYS 11 11.036 1.238 1.238
88 1HD LYS 11 1HD LYS 11 11.358 1.614 1.614
89 2HD LYS 11 2HD LYS 11 10.763 3.099 3.099
90 1HE LYS 11 1HE LYS 11 9.827 2.731 2.731
91 2HE LYS 11 2HE LYS 11 8.531 2.801 2.801
92 1HZ LYS 11 1HZ LYS 11 9.625 0.092 0.092
93 2HZ LYS 11 2HZ LYS 11 8.552 0.808 0.808
94 3HZ LYS 11 3HZ LYS 11 8.128 0.461 0.461
95 H GLU 12 H GLU 12 5.521 3.096 3.096
96 HA GLU 12 HA GLU 12 4.270 4.805 4.805
97 1HB GLU 12 2HB GLU 12 5.075 3.506 3.506
98 2HB GLU 12 1HB GLU 12 3.884 4.752 4.752
99 1HG GLU 12 1HG GLU 12 6.839 5.109 5.109
100 2HG GLU 12 2HG GLU 12 6.171 5.567 5.567
101 HE1 GLU 12 HE2 GLU 12 4.603 8.401 8.401
102 HA PRO 13 HA PRO 13 0.916 1.603 1.603
103 1HB PRO 13 1HB PRO 13 2.214 -1.030 -1.030
104 2HB PRO 13 2HB PRO 13 1.072 -0.766 -0.766
105 1HG PRO 13 1HG PRO 13 3.693 -1.041 -1.041
106 2HG PRO 13 2HG PRO 13 2.814 0.309 0.309
107 1HD PRO 13 1HD PRO 13 4.592 0.391 0.391
108 2HD PRO 13 2HD PRO 13 4.649 1.453 1.453
109 H PHE 14 H PHE 14 2.695 0.358 0.358
110 HA PHE 14 HA PHE 14 0.356 -0.782 -0.782
111 1HB PHE 14 1HB PHE 14 1.785 -1.530 -1.530
112 2HB PHE 14 2HB PHE 14 2.780 -1.510 -1.510
113 HD1 PHE 14 HD1 PHE 14 3.518 1.713 1.713
114 HD2 PHE 14 HD2 PHE 14 3.626 -1.766 -1.766
115 HE1 PHE 14 HE1 PHE 14 5.280 2.741 2.741
116 HE2 PHE 14 HE2 PHE 14 5.394 -0.717 -0.717
117 HZ PHE 14 HZ PHE 14 6.210 1.545 1.545
118 H ARG 15 H ARG 15 1.100 2.540 2.540
119 HA ARG 15 HA ARG 15 -0.861 2.737 2.737
120 1HB ARG 15 1HB ARG 15 1.591 4.443 4.443
121 2HB ARG 15 2HB ARG 15 0.211 5.350 5.350
122 1HG ARG 15 1HG ARG 15 1.618 5.171 5.171
123 2HG ARG 15 2HG ARG 15 0.160 4.331 4.331
124 1HD ARG 15 1HD ARG 15 2.840 2.995 2.995
125 2HD ARG 15 2HD ARG 15 2.316 3.314 3.314
126 HE ARG 15 HE ARG 15 0.606 1.525 1.525
127 1HH1 ARG 15 2HH2 ARG 15 2.580 1.676 1.676
128 2HH1 ARG 15 1HH2 ARG 15 2.162 -0.051 -0.051
129 1HH2 ARG 15 1HH1 ARG 15 0.177 -0.347 -0.347
130 2HH2 ARG 15 2HH1 ARG 15 0.843 -1.141 -1.141
131 H ASP 16 H ASP 16 -0.719 3.291 3.291
132 HA ASP 16 HA ASP 16 -3.444 4.477 4.477
133 1HB ASP 16 1HB ASP 16 -1.684 5.081 5.081
134 2HB ASP 16 2HB ASP 16 -1.816 3.417 3.417
135 HD1 ASP 16 HD2 ASP 16 -4.649 6.144 6.144
136 H TYR 17 H TYR 17 -2.210 1.613 1.613
137 HA TYR 17 HA TYR 17 -4.530 -0.046 -0.046
138 1HB TYR 17 1HB TYR 17 -2.809 -1.499 -1.499
139 2HB TYR 17 2HB TYR 17 -1.667 -0.816 -0.816
140 HD1 TYR 17 HD2 TYR 17 -4.752 -3.011 -3.011
141 HD2 TYR 17 HD1 TYR 17 -1.102 -1.936 -1.936
142 HE1 TYR 17 HE2 TYR 17 -5.182 -4.706 -4.706
143 HE2 TYR 17 HE1 TYR 17 -1.557 -3.621 -3.621
144 HH TYR 17 HH TYR 17 -4.595 -5.444 -5.444
145 H VAL 18 H VAL 18 -2.447 0.557 0.557
146 HA VAL 18 HA VAL 18 -4.316 -0.230 -0.230
147 HB VAL 18 HB VAL 18 -1.913 0.801 0.801
148 1HG1 VAL 18 2HG1 VAL 18 -2.676 3.144 3.144
149 2HG1 VAL 18 3HG1 VAL 18 -3.254 3.397 3.397
150 3HG1 VAL 18 1HG1 VAL 18 -1.516 3.020 3.020
151 1HG2 VAL 18 3HG2 VAL 18 -3.207 -0.062 -0.062
152 2HG2 VAL 18 1HG2 VAL 18 -2.192 1.366 1.366
153 3HG2 VAL 18 2HG2 VAL 18 -3.948 1.554 1.554
154 H ASP 19 H ASP 19 -4.528 2.903 2.903
155 HA ASP 19 HA ASP 19 -6.373 3.840 3.840
156 1HB ASP 19 1HB ASP 19 -4.769 5.353 5.353
157 2HB ASP 19 2HB ASP 19 -5.790 5.134 5.134
158 HD1 ASP 19 HD2 ASP 19 -7.130 7.327 7.327
159 H ARG 20 H ARG 20 -6.690 2.447 2.447
160 HA ARG 20 HA ARG 20 -9.527 2.563 2.563
161 1HB ARG 20 1HB ARG 20 -7.529 2.852 2.852
162 2HB ARG 20 2HB ARG 20 -6.887 1.328 1.328
163 1HG ARG 20 1HG ARG 20 -8.557 0.033 0.033
164 2HG ARG 20 2HG ARG 20 -9.724 1.335 1.335
165 1HD ARG 20 1HD ARG 20 -8.883 0.921 0.921
166 2HD ARG 20 2HD ARG 20 -8.520 2.563 2.563
167 HE ARG 20 HE ARG 20 -6.096 1.732 1.732
168 1HH1 ARG 20 2HH2 ARG 20 -7.898 0.239 0.239
169 2HH1 ARG 20 1HH2 ARG 20 -6.369 -0.043 -0.043
170 1HH2 ARG 20 1HH1 ARG 20 -4.481 1.507 1.507
171 2HH2 ARG 20 2HH1 ARG 20 -4.506 0.643 0.643
172 H PHE 21 H PHE 21 -7.113 0.104 0.104
173 HA PHE 21 HA PHE 21 -8.925 -1.929 -1.929
174 1HB PHE 21 2HB PHE 21 -6.247 -1.839 -1.839
175 2HB PHE 21 1HB PHE 21 -6.472 -1.137 -1.137
176 HD1 PHE 21 HD2 PHE 21 -7.417 -4.200 -4.200
177 HD2 PHE 21 HD1 PHE 21 -6.689 -2.573 -2.573
178 HE1 PHE 21 HE2 PHE 21 -7.531 -6.464 -6.464
179 HE2 PHE 21 HE1 PHE 21 -6.814 -4.839 -4.839
180 HZ PHE 21 HZ PHE 21 -7.228 -6.785 -6.785
181 H TYR 22 H TYR 22 -7.729 0.817 0.817
182 HA TYR 22 HA TYR 22 -9.503 0.409 0.409
183 1HB TYR 22 1HB TYR 22 -7.334 1.764 1.764
184 2HB TYR 22 2HB TYR 22 -8.116 2.969 2.969
185 HD1 TYR 22 HD2 TYR 22 -8.799 1.213 1.213
186 HD2 TYR 22 HD1 TYR 22 -8.645 4.938 4.938
187 HE1 TYR 22 HE2 TYR 22 -9.348 2.442 2.442
188 HE2 TYR 22 HE1 TYR 22 -9.172 6.147 6.147
189 HH TYR 22 HH TYR 22 -9.219 5.946 5.946
190 H LYS 23 H LYS 23 -10.248 2.479 2.479
191 HA LYS 23 HA LYS 23 -12.991 2.912 2.912
192 1HB LYS 23 2HB LYS 23 -11.805 4.537 4.537
193 2HB LYS 23 1HB LYS 23 -11.734 3.243 3.243
194 1HG LYS 23 1HG LYS 23 -13.441 5.151 5.151
195 2HG LYS 23 2HG LYS 23 -13.952 3.509 3.509
196 1HD LYS 23 1HD LYS 23 -15.753 4.786 4.786
197 2HD LYS 23 2HD LYS 23 -15.313 3.428 3.428
198 1HE LYS 23 1HE LYS 23 -13.925 5.072 5.072
199 2HE LYS 23 2HE LYS 23 -14.608 6.395 6.395
200 1HZ LYS 23 2HZ LYS 23 -16.263 4.297 4.297
201 2HZ LYS 23 3HZ LYS 23 -16.050 5.842 5.842
202 3HZ LYS 23 1HZ LYS 23 -16.894 5.544 5.544
203 H THR 24 H THR 24 -11.619 0.465 0.465
204 HA THR 24 HA THR 24 -14.040 -1.054 -1.054
205 HB THR 24 HB THR 24 -11.315 -2.207 -2.207
206 HG1 THR 24 HG1 THR 24 -11.246 -0.860 -0.860
207 1HG2 THR 24 2HG2 THR 24 -13.049 -4.042 -4.042
208 2HG2 THR 24 3HG2 THR 24 -13.692 -3.478 -3.478
209 3HG2 THR 24 1HG2 THR 24 -12.054 -4.165 -4.165
210 H LEU 25 H LEU 25 -11.725 -1.560 -1.560
211 HA LEU 25 HA LEU 25 -13.611 -2.892 -2.892
212 1HB LEU 25 1HB LEU 25 -11.105 -2.839 -2.839
213 2HB LEU 25 2HB LEU 25 -11.169 -1.123 -1.123
214 HG LEU 25 HG LEU 25 -12.447 -1.572 -1.572
215 1HD1 LEU 25 2HD1 LEU 25 -12.286 -4.555 -4.555
216 2HD1 LEU 25 3HD1 LEU 25 -12.710 -3.982 -3.982
217 3HD1 LEU 25 1HD1 LEU 25 -13.749 -3.590 -3.590
218 1HD2 LEU 25 3HD2 LEU 25 -9.957 -1.532 -1.532
219 2HD2 LEU 25 1HD2 LEU 25 -10.594 -2.641 -2.641
220 3HD2 LEU 25 2HD2 LEU 25 -9.909 -3.293 -3.293
221 H ARG 26 H ARG 26 -13.109 0.771 0.771
222 HA ARG 26 HA ARG 26 -15.660 0.891 0.891
223 1HB ARG 26 1HB ARG 26 -13.582 3.031 3.031
224 2HB ARG 26 2HB ARG 26 -15.143 3.485 3.485
225 1HG ARG 26 1HG ARG 26 -14.789 2.135 2.135
226 2HG ARG 26 2HG ARG 26 -13.215 1.579 1.579
227 1HD ARG 26 1HD ARG 26 -12.284 3.897 3.897
228 2HD ARG 26 2HD ARG 26 -13.899 4.547 4.547
229 HE ARG 26 HE ARG 26 -13.317 2.289 2.289
230 1HH1 ARG 26 2HH2 ARG 26 -12.405 5.612 5.612
231 2HH1 ARG 26 1HH2 ARG 26 -12.212 5.860 5.860
232 1HH2 ARG 26 1HH1 ARG 26 -13.034 2.561 2.561
233 2HH2 ARG 26 2HH1 ARG 26 -12.551 4.172 4.172
234 H ALA 27 H ALA 27 -15.530 -0.136 -0.136
235 HA ALA 27 HA ALA 27 -18.342 0.818 0.818
236 1HB ALA 27 2HB ALA 27 -17.300 0.887 0.887
237 2HB ALA 27 3HB ALA 27 -16.825 -0.821 -0.821
238 3HB ALA 27 1HB ALA 27 -18.545 -0.375 -0.375
239 H GLU 28 H GLU 28 -16.238 -2.135 -2.135
240 HA GLU 28 HA GLU 28 -18.470 -3.855 -3.855
241 1HB GLU 28 1HB GLU 28 -15.588 -3.767 -3.767
242 2HB GLU 28 2HB GLU 28 -16.705 -5.087 -5.087
243 1HG GLU 28 2HG GLU 28 -16.739 -5.607 -5.607
244 2HG GLU 28 1HG GLU 28 -15.672 -4.262 -4.262
245 HE2 GLU 28 HE2 GLU 28 -14.195 -7.669 -7.669
246 H GLN 29 H GLN 29 -16.482 -1.652 -1.652
247 HA GLN 29 HA GLN 29 -18.182 -1.861 -1.861
248 1HB GLN 29 2HB GLN 29 -16.235 0.412 0.412
249 2HB GLN 29 1HB GLN 29 -16.948 0.188 0.188
250 1HG GLN 29 2HG GLN 29 -15.742 -2.057 -2.057
251 2HG GLN 29 1HG GLN 29 -14.965 -1.723 -1.723
252 1HE2 GLN 29 2HE2 GLN 29 -12.501 -0.758 -0.758
253 2HE2 GLN 29 1HE2 GLN 29 -13.374 -2.273 -2.273
254 H ALA 30 H ALA 30 -18.473 0.232 0.232
255 HA ALA 30 HA ALA 30 -20.792 1.607 1.607
256 1HB ALA 30 3HB ALA 30 -18.830 3.037 3.037
257 2HB ALA 30 1HB ALA 30 -18.311 3.249 3.249
258 3HB ALA 30 2HB ALA 30 -19.849 3.943 3.943
259 H SER 31 H SER 31 -21.346 0.028 0.028
260 HA SER 31 HA SER 31 -22.638 -0.248 -0.248
261 1HB SER 31 1HB SER 31 -23.897 1.679 1.679
262 2HB SER 31 2HB SER 31 -23.845 1.787 1.787
263 HG SER 31 HG SER 31 -21.921 3.230 3.230
264 HXT SER 31 HO OH 32 -20.370 2.274 2.274
Start of MODEL 3
1 1H CYS 1 1H CYS 1 -5.430 -9.451 -9.451
2 2H CYS 1 2H CYS 1 -6.726 -9.408 -9.408
3 3H CYS 1 3H CYS 1 -6.060 -7.997 -7.997
4 HA CYS 1 HA CYS 1 -5.305 -8.286 -8.286
5 1HB CYS 1 1HB CYS 1 -5.867 -10.755 -10.755
6 2HB CYS 1 2HB CYS 1 -4.453 -11.096 -11.096
7 HG CYS 1 HG CYS 1 -3.939 -11.766 -11.766
8 H SER 2 H SER 2 -3.571 -6.901 -6.901
9 HA SER 2 HA SER 2 -1.058 -7.458 -7.458
10 1HB SER 2 1HB SER 2 -1.051 -5.254 -5.254
11 2HB SER 2 2HB SER 2 -2.540 -6.074 -6.074
12 HG SER 2 HG SER 2 -2.216 -4.024 -4.024
13 H ILE 3 H ILE 3 0.754 -6.316 -6.316
14 HA ILE 3 HA ILE 3 0.981 -5.867 -5.867
15 HB ILE 3 HB ILE 3 2.720 -6.727 -6.727
16 1HG1 ILE 3 1HG1 ILE 3 3.312 -6.567 -6.567
17 2HG1 ILE 3 2HG1 ILE 3 4.638 -6.095 -6.095
18 1HG2 ILE 3 2HG2 ILE 3 2.652 -4.738 -4.738
19 2HG2 ILE 3 3HG2 ILE 3 3.341 -3.706 -3.706
20 3HG2 ILE 3 1HG2 ILE 3 4.291 -5.061 -5.061
21 1HD1 ILE 3 3HD1 ILE 3 4.153 -3.611 -3.611
22 2HD1 ILE 3 1HD1 ILE 3 2.968 -4.225 -4.225
23 3HD1 ILE 3 2HD1 ILE 3 4.678 -4.653 -4.653
24 H LEU 4 H LEU 4 0.831 -3.369 -3.369
25 HA LEU 4 HA LEU 4 0.645 -1.169 -1.169
26 1HB LEU 4 1HB LEU 4 0.315 0.320 0.320
27 2HB LEU 4 2HB LEU 4 1.651 -0.756 -0.756
28 HG LEU 4 HG LEU 4 0.040 -2.246 -2.246
29 1HD1 LEU 4 3HD2 LEU 4 -1.615 0.374 0.374
30 2HD1 LEU 4 1HD2 LEU 4 -1.825 -0.977 -0.977
31 3HD1 LEU 4 2HD2 LEU 4 -2.179 -1.213 -1.213
32 1HD2 LEU 4 3HD1 LEU 4 1.905 -0.855 -0.855
33 2HD2 LEU 4 1HD1 LEU 4 0.500 -0.821 -0.821
34 3HD2 LEU 4 2HD1 LEU 4 0.849 0.579 0.579
35 H ASP 5 H ASP 5 -1.393 -3.237 -3.237
36 HA ASP 5 HA ASP 5 -3.894 -1.535 -1.535
37 1HB ASP 5 1HB ASP 5 -4.317 -2.956 -2.956
38 2HB ASP 5 2HB ASP 5 -3.961 -4.418 -4.418
39 HD2 ASP 5 HD2 ASP 5 -7.080 -4.580 -4.580
40 H ILE 6 H ILE 6 -2.716 -4.841 -4.841
41 HA ILE 6 HA ILE 6 -3.312 -4.373 -4.373
42 HB ILE 6 HB ILE 6 -2.492 -7.010 -7.010
43 1HG1 ILE 6 1HG1 ILE 6 -5.271 -5.845 -5.845
44 2HG1 ILE 6 2HG1 ILE 6 -4.669 -6.366 -6.366
45 1HG2 ILE 6 2HG2 ILE 6 -1.950 -6.747 -6.747
46 2HG2 ILE 6 3HG2 ILE 6 -3.643 -6.315 -6.315
47 3HG2 ILE 6 1HG2 ILE 6 -3.211 -7.951 -7.951
48 1HD1 ILE 6 1HD1 ILE 6 -4.581 -8.776 -8.776
49 2HD1 ILE 6 2HD1 ILE 6 -5.368 -8.247 -8.247
50 3HD1 ILE 6 3HD1 ILE 6 -6.222 -8.061 -8.061
51 H ARG 7 H ARG 7 -1.667 -2.822 -2.822
52 HA ARG 7 HA ARG 7 1.168 -3.604 -3.604
53 1HB ARG 7 1HB ARG 7 1.617 -1.209 -1.209
54 2HB ARG 7 2HB ARG 7 0.430 -1.556 -1.556
55 1HG ARG 7 1HG ARG 7 -1.426 -0.685 -0.685
56 2HG ARG 7 2HG ARG 7 -0.203 -0.371 -0.371
57 1HD ARG 7 1HD ARG 7 -0.591 1.734 1.734
58 2HD ARG 7 2HD ARG 7 0.973 1.233 1.233
59 HE ARG 7 HE ARG 7 -1.131 0.361 0.361
60 1HH1 ARG 7 2HH2 ARG 7 0.233 3.358 3.358
61 2HH1 ARG 7 1HH2 ARG 7 -0.250 4.237 4.237
62 1HH2 ARG 7 1HH1 ARG 7 -1.595 1.356 1.356
63 2HH2 ARG 7 2HH1 ARG 7 -1.280 3.152 3.152
64 H GLN 8 H GLN 8 -1.158 -3.014 -3.014
65 HA GLN 8 HA GLN 8 0.520 -2.029 -2.029
66 1HB GLN 8 1HB GLN 8 -2.076 -3.664 -3.664
67 2HB GLN 8 2HB GLN 8 -1.374 -2.555 -2.555
68 1HG GLN 8 2HG GLN 8 -2.823 -1.058 -1.058
69 2HG GLN 8 1HG GLN 8 -1.582 -0.745 -0.745
70 1HE2 GLN 8 2HE2 GLN 8 -5.086 -2.162 -2.162
71 2HE2 GLN 8 1HE2 GLN 8 -4.828 -1.777 -1.777
72 H GLY 9 H GLY 9 2.426 -3.287 -3.287
73 1HA GLY 9 1HA GLY 9 2.424 -5.952 -5.952
74 2HA GLY 9 2HA GLY 9 3.820 -5.118 -5.118
75 HA PRO 10 HA PRO 10 2.672 -2.970 -2.970
76 1HB PRO 10 2HB PRO 10 1.981 -4.679 -4.679
77 2HB PRO 10 1HB PRO 10 0.899 -3.840 -3.840
78 1HG PRO 10 1HG PRO 10 2.000 -6.719 -6.719
79 2HG PRO 10 2HG PRO 10 0.288 -6.241 -6.241
80 1HD PRO 10 1HD PRO 10 1.714 -6.676 -6.676
81 2HD PRO 10 2HD PRO 10 0.604 -5.271 -5.271
82 H LYS 11 H LYS 11 4.206 -2.322 -2.322
83 HA LYS 11 HA LYS 11 6.323 -3.524 -3.524
84 1HB LYS 11 1HB LYS 11 8.259 -3.348 -3.348
85 2HB LYS 11 2HB LYS 11 7.140 -4.584 -4.584
86 1HG LYS 11 1HG LYS 11 6.484 -3.320 -3.320
87 2HG LYS 11 2HG LYS 11 7.314 -1.858 -1.858
88 1HD LYS 11 1HD LYS 11 9.522 -2.986 -2.986
89 2HD LYS 11 2HD LYS 11 8.767 -4.518 -4.518
90 1HE LYS 11 1HE LYS 11 9.763 -3.599 -3.599
91 2HE LYS 11 2HE LYS 11 8.015 -3.686 -3.686
92 1HZ LYS 11 3HZ LYS 11 9.365 -1.113 -1.113
93 2HZ LYS 11 1HZ LYS 11 9.095 -1.454 -1.454
94 3HZ LYS 11 2HZ LYS 11 7.841 -1.289 -1.289
95 H GLU 12 H GLU 12 5.733 -0.849 -0.849
96 HA GLU 12 HA GLU 12 6.772 1.172 1.172
97 1HB GLU 12 2HB GLU 12 7.006 1.250 1.250
98 2HB GLU 12 1HB GLU 12 7.360 2.612 2.612
99 1HG GLU 12 1HG GLU 12 9.270 1.514 1.514
100 2HG GLU 12 2HG GLU 12 8.831 -0.066 -0.066
101 HE1 GLU 12 HE2 GLU 12 10.858 2.500 2.500
102 HA PRO 13 HA PRO 13 2.833 3.440 3.440
103 1HB PRO 13 1HB PRO 13 1.265 0.964 0.964
104 2HB PRO 13 2HB PRO 13 1.203 2.614 2.614
105 1HG PRO 13 1HG PRO 13 2.610 0.754 0.754
106 2HG PRO 13 2HG PRO 13 3.403 2.327 2.327
107 1HD PRO 13 1HD PRO 13 3.720 -0.254 -0.254
108 2HD PRO 13 2HD PRO 13 5.003 0.780 0.780
109 H PHE 14 H PHE 14 2.821 0.662 0.662
110 HA PHE 14 HA PHE 14 -0.064 0.439 0.439
111 1HB PHE 14 1HB PHE 14 0.539 -1.592 -1.592
112 2HB PHE 14 2HB PHE 14 1.751 -1.415 -1.415
113 HD1 PHE 14 HD2 PHE 14 4.128 -0.415 -0.415
114 HD2 PHE 14 HD1 PHE 14 1.137 -2.004 -2.004
115 HE1 PHE 14 HE2 PHE 14 5.830 -0.741 -0.741
116 HE2 PHE 14 HE1 PHE 14 2.864 -2.335 -2.335
117 HZ PHE 14 HZ PHE 14 5.207 -1.698 -1.698
118 H ARG 15 H ARG 15 0.969 2.938 2.938
119 HA ARG 15 HA ARG 15 -0.895 2.878 2.878
120 1HB ARG 15 1HB ARG 15 1.272 4.916 4.916
121 2HB ARG 15 2HB ARG 15 -0.139 5.508 5.508
122 1HG ARG 15 1HG ARG 15 1.665 5.323 5.323
123 2HG ARG 15 2HG ARG 15 0.352 4.323 4.323
124 1HD ARG 15 1HD ARG 15 2.849 3.220 3.220
125 2HD ARG 15 2HD ARG 15 2.791 3.423 3.423
126 HE ARG 15 HE ARG 15 0.879 1.616 1.616
127 1HH1 ARG 15 2HH2 ARG 15 2.469 2.191 2.191
128 2HH1 ARG 15 1HH2 ARG 15 1.790 0.650 0.650
129 1HH2 ARG 15 1HH1 ARG 15 0.220 -0.107 -0.107
130 2HH2 ARG 15 2HH1 ARG 15 0.543 -0.591 -0.591
131 H ASP 16 H ASP 16 -0.784 3.578 3.578
132 HA ASP 16 HA ASP 16 -3.617 4.453 4.453
133 1HB ASP 16 1HB ASP 16 -1.815 5.078 5.078
134 2HB ASP 16 2HB ASP 16 -2.036 3.434 3.434
135 HD2 ASP 16 HD2 ASP 16 -4.691 6.355 6.355
136 H TYR 17 H TYR 17 -2.281 1.703 1.703
137 HA TYR 17 HA TYR 17 -4.485 -0.108 -0.108
138 1HB TYR 17 1HB TYR 17 -2.703 -1.550 -1.550
139 2HB TYR 17 2HB TYR 17 -1.611 -0.818 -0.818
140 HD1 TYR 17 HD1 TYR 17 -4.622 -3.113 -3.113
141 HD2 TYR 17 HD2 TYR 17 -1.102 -1.770 -1.770
142 HE1 TYR 17 HE1 TYR 17 -5.048 -4.722 -4.722
143 HE2 TYR 17 HE2 TYR 17 -1.528 -3.384 -3.384
144 HH TYR 17 HH TYR 17 -4.483 -5.344 -5.344
145 H VAL 18 H VAL 18 -2.416 0.738 0.738
146 HA VAL 18 HA VAL 18 -4.176 -0.134 -0.134
147 HB VAL 18 HB VAL 18 -1.844 1.016 1.016
148 1HG1 VAL 18 2HG1 VAL 18 -2.711 3.314 3.314
149 2HG1 VAL 18 3HG1 VAL 18 -3.299 3.556 3.556
150 3HG1 VAL 18 1HG1 VAL 18 -1.545 3.261 3.261
151 1HG2 VAL 18 1HG2 VAL 18 -3.113 0.117 0.117
152 2HG2 VAL 18 2HG2 VAL 18 -2.179 1.598 1.598
153 3HG2 VAL 18 3HG2 VAL 18 -3.936 1.691 1.691
154 H ASP 19 H ASP 19 -4.555 2.946 2.946
155 HA ASP 19 HA ASP 19 -6.522 3.785 3.785
156 1HB ASP 19 1HB ASP 19 -4.918 5.388 5.388
157 2HB ASP 19 2HB ASP 19 -5.900 5.144 5.144
158 HD2 ASP 19 HD2 ASP 19 -8.145 7.528 7.528
159 H ARG 20 H ARG 20 -6.631 2.194 2.194
160 HA ARG 20 HA ARG 20 -9.419 2.357 2.357
161 1HB ARG 20 1HB ARG 20 -7.299 2.511 2.511
162 2HB ARG 20 2HB ARG 20 -6.772 0.989 0.989
163 1HG ARG 20 1HG ARG 20 -8.931 -0.093 -0.093
164 2HG ARG 20 2HG ARG 20 -9.264 1.450 1.450
165 1HD ARG 20 1HD ARG 20 -6.664 -0.203 -0.203
166 2HD ARG 20 2HD ARG 20 -8.015 -0.325 -0.325
167 HE ARG 20 HE ARG 20 -6.073 2.004 2.004
168 1HH1 ARG 20 2HH2 ARG 20 -9.050 0.953 0.953
169 2HH1 ARG 20 1HH2 ARG 20 -8.938 2.208 2.208
170 1HH2 ARG 20 1HH1 ARG 20 -5.948 3.393 3.393
171 2HH2 ARG 20 2HH1 ARG 20 -7.258 3.520 3.520
172 H PHE 21 H PHE 21 -7.096 -0.110 -0.110
173 HA PHE 21 HA PHE 21 -8.998 -2.132 -2.132
174 1HB PHE 21 1HB PHE 21 -6.387 -2.169 -2.169
175 2HB PHE 21 2HB PHE 21 -6.339 -1.276 -1.276
176 HD1 PHE 21 HD1 PHE 21 -7.490 -4.549 -4.549
177 HD2 PHE 21 HD2 PHE 21 -6.451 -2.437 -2.437
178 HE1 PHE 21 HE1 PHE 21 -7.439 -6.677 -6.677
179 HE2 PHE 21 HE2 PHE 21 -6.405 -4.569 -4.569
180 HZ PHE 21 HZ PHE 21 -6.899 -6.689 -6.689
181 H TYR 22 H TYR 22 -7.671 0.482 0.482
182 HA TYR 22 HA TYR 22 -9.518 0.056 0.056
183 1HB TYR 22 1HB TYR 22 -7.176 1.224 1.224
184 2HB TYR 22 2HB TYR 22 -7.934 2.625 2.625
185 HD1 TYR 22 HD2 TYR 22 -8.288 0.274 0.274
186 HD2 TYR 22 HD1 TYR 22 -8.622 4.328 4.328
187 HE1 TYR 22 HE2 TYR 22 -8.766 1.028 1.028
188 HE2 TYR 22 HE1 TYR 22 -9.060 5.077 5.077
189 HH TYR 22 HH TYR 22 -8.813 2.872 2.872
190 H LYS 23 H LYS 23 -9.997 2.332 2.332
191 HA LYS 23 HA LYS 23 -12.640 3.073 3.073
192 1HB LYS 23 2HB LYS 23 -11.335 4.552 4.552
193 2HB LYS 23 1HB LYS 23 -11.411 3.238 3.238
194 1HG LYS 23 1HG LYS 23 -12.956 5.035 5.035
195 2HG LYS 23 2HG LYS 23 -13.900 3.637 3.637
196 1HD LYS 23 1HD LYS 23 -13.665 5.020 5.020
197 2HD LYS 23 2HD LYS 23 -13.567 6.324 6.324
198 1HE LYS 23 1HE LYS 23 -15.870 6.164 6.164
199 2HE LYS 23 2HE LYS 23 -15.730 5.440 5.440
200 1HZ LYS 23 3HZ LYS 23 -15.467 3.188 3.188
201 2HZ LYS 23 1HZ LYS 23 -16.167 4.020 4.020
202 3HZ LYS 23 2HZ LYS 23 -16.989 3.798 3.798
203 H THR 24 H THR 24 -11.600 0.512 0.512
204 HA THR 24 HA THR 24 -14.156 -0.761 -0.761
205 HB THR 24 HB THR 24 -11.492 -2.092 -2.092
206 HG1 THR 24 HG1 THR 24 -11.380 -0.731 -0.731
207 1HG2 THR 24 2HG2 THR 24 -14.003 -3.166 -3.166
208 2HG2 THR 24 3HG2 THR 24 -12.393 -3.923 -3.923
209 3HG2 THR 24 1HG2 THR 24 -13.290 -3.853 -3.853
210 H LEU 25 H LEU 25 -11.818 -1.551 -1.551
211 HA LEU 25 HA LEU 25 -13.707 -2.804 -2.804
212 1HB LEU 25 1HB LEU 25 -11.237 -2.758 -2.758
213 2HB LEU 25 2HB LEU 25 -11.275 -1.015 -1.015
214 HG LEU 25 HG LEU 25 -12.618 -1.236 -1.236
215 1HD1 LEU 25 3HD1 LEU 25 -12.405 -4.289 -4.289
216 2HD1 LEU 25 1HD1 LEU 25 -12.949 -3.490 -3.490
217 3HD1 LEU 25 2HD1 LEU 25 -13.890 -3.317 -3.317
218 1HD2 LEU 25 2HD2 LEU 25 -10.160 -1.136 -1.136
219 2HD2 LEU 25 3HD2 LEU 25 -10.803 -2.142 -2.142
220 3HD2 LEU 25 1HD2 LEU 25 -10.049 -2.915 -2.915
221 H ARG 26 H ARG 26 -13.099 0.840 0.840
222 HA ARG 26 HA ARG 26 -15.528 1.166 1.166
223 1HB ARG 26 1HB ARG 26 -13.666 3.168 3.168
224 2HB ARG 26 2HB ARG 26 -15.080 3.683 3.683
225 1HG ARG 26 1HG ARG 26 -14.193 2.609 2.609
226 2HG ARG 26 2HG ARG 26 -12.721 2.144 2.144
227 1HD ARG 26 1HD ARG 26 -12.278 4.596 4.596
228 2HD ARG 26 2HD ARG 26 -13.751 5.079 5.079
229 HE ARG 26 HE ARG 26 -11.247 3.833 3.833
230 1HH1 ARG 26 2HH2 ARG 26 -14.347 5.406 5.406
231 2HH1 ARG 26 1HH2 ARG 26 -13.793 5.897 5.897
232 1HH2 ARG 26 1HH1 ARG 26 -10.702 4.461 4.461
233 2HH2 ARG 26 2HH1 ARG 26 -11.853 5.373 5.373
234 H ALA 27 H ALA 27 -15.608 -0.025 -0.025
235 HA ALA 27 HA ALA 27 -18.448 0.860 0.860
236 1HB ALA 27 2HB ALA 27 -17.339 0.995 0.995
237 2HB ALA 27 3HB ALA 27 -16.898 -0.725 -0.725
238 3HB ALA 27 1HB ALA 27 -18.607 -0.244 -0.244
239 H GLU 28 H GLU 28 -16.322 -2.039 -2.039
240 HA GLU 28 HA GLU 28 -18.556 -3.807 -3.807
241 1HB GLU 28 1HB GLU 28 -15.703 -3.732 -3.732
242 2HB GLU 28 2HB GLU 28 -16.826 -5.060 -5.060
243 1HG GLU 28 2HG GLU 28 -16.812 -5.491 -5.491
244 2HG GLU 28 1HG GLU 28 -15.708 -4.158 -4.158
245 HE2 GLU 28 HE2 GLU 28 -14.174 -7.588 -7.588
246 H GLN 29 H GLN 29 -16.579 -1.712 -1.712
247 HA GLN 29 HA GLN 29 -18.402 -1.731 -1.731
248 1HB GLN 29 1HB GLN 29 -16.453 0.474 0.474
249 2HB GLN 29 2HB GLN 29 -17.237 0.461 0.461
250 1HG GLN 29 1HG GLN 29 -15.077 -1.488 -1.488
251 2HG GLN 29 2HG GLN 29 -14.865 -0.245 -0.245
252 1HE2 GLN 29 2HE2 GLN 29 -16.181 -2.369 -2.369
253 2HE2 GLN 29 1HE2 GLN 29 -15.933 -0.609 -0.609
254 H ALA 30 H ALA 30 -18.307 0.298 0.298
255 HA ALA 30 HA ALA 30 -19.763 1.959 1.959
256 1HB ALA 30 3HB ALA 30 -21.705 0.487 0.487
257 2HB ALA 30 1HB ALA 30 -21.781 1.367 1.367
258 3HB ALA 30 2HB ALA 30 -22.088 2.225 2.225
259 H SER 31 H SER 31 -18.072 3.337 3.337
260 HA SER 31 HA SER 31 -18.775 5.625 5.625
261 1HB SER 31 1HB SER 31 -17.435 4.099 4.099
262 2HB SER 31 2HB SER 31 -16.178 3.941 3.941
263 HG SER 31 HG SER 31 -16.943 6.424 6.424
264 HXT SER 31 HO OH 32 -17.070 7.757 7.757
Start of MODEL 4
1 1H CYS 1 1H CYS 1 4.177 -10.988 -10.988
2 2H CYS 1 2H CYS 1 4.976 -11.339 -11.339
3 3H CYS 1 3H CYS 1 4.090 -9.935 -9.935
4 HA CYS 1 HA CYS 1 2.800 -11.546 -11.546
5 1HB CYS 1 1HB CYS 1 4.106 -13.492 -13.492
6 2HB CYS 1 2HB CYS 1 3.185 -13.286 -13.286
7 HG CYS 1 HG CYS 1 2.269 -15.336 -15.336
8 H SER 2 H SER 2 0.423 -12.310 -12.310
9 HA SER 2 HA SER 2 -0.767 -10.152 -10.152
10 1HB SER 2 1HB SER 2 -2.063 -11.753 -11.753
11 2HB SER 2 2HB SER 2 -2.908 -10.616 -10.616
12 HG SER 2 HG SER 2 -1.471 -8.972 -8.972
13 H ILE 3 H ILE 3 -1.781 -13.450 -13.450
14 HA ILE 3 HA ILE 3 -3.156 -13.814 -13.814
15 HB ILE 3 HB ILE 3 -4.010 -14.687 -14.687
16 1HG1 ILE 3 2HG1 ILE 3 -4.711 -16.997 -16.997
17 2HG1 ILE 3 1HG1 ILE 3 -3.581 -16.895 -16.895
18 1HG2 ILE 3 2HG2 ILE 3 -1.789 -15.579 -15.579
19 2HG2 ILE 3 3HG2 ILE 3 -1.903 -16.943 -16.943
20 3HG2 ILE 3 1HG2 ILE 3 -3.147 -16.716 -16.716
21 1HD1 ILE 3 1HD1 ILE 3 -5.962 -14.949 -14.949
22 2HD1 ILE 3 2HD1 ILE 3 -5.960 -16.333 -16.333
23 3HD1 ILE 3 3HD1 ILE 3 -4.895 -14.951 -14.951
24 H LEU 4 H LEU 4 -0.310 -15.660 -15.660
25 HA LEU 4 HA LEU 4 0.259 -16.561 -16.561
26 1HB LEU 4 1HB LEU 4 1.737 -17.209 -17.209
27 2HB LEU 4 2HB LEU 4 2.144 -17.864 -17.864
28 HG LEU 4 HG LEU 4 -0.546 -18.354 -18.354
29 1HD1 LEU 4 3HD2 LEU 4 1.369 -19.395 -19.395
30 2HD1 LEU 4 1HD2 LEU 4 1.911 -20.219 -20.219
31 3HD1 LEU 4 2HD2 LEU 4 0.346 -20.637 -20.637
32 1HD2 LEU 4 2HD1 LEU 4 0.650 -19.724 -19.724
33 2HD2 LEU 4 3HD1 LEU 4 -0.765 -18.641 -18.641
34 3HD2 LEU 4 1HD1 LEU 4 -0.846 -20.213 -20.213
35 H ASP 5 H ASP 5 0.355 -14.202 -14.202
36 HA ASP 5 HA ASP 5 3.272 -13.258 -13.258
37 1HB ASP 5 1HB ASP 5 1.906 -12.466 -12.466
38 2HB ASP 5 2HB ASP 5 0.973 -11.454 -11.454
39 HD1 ASP 5 HD2 ASP 5 3.536 -9.171 -9.171
40 H ILE 6 H ILE 6 -0.006 -12.724 -12.724
41 HA ILE 6 HA ILE 6 0.949 -10.363 -10.363
42 HB ILE 6 HB ILE 6 -1.922 -11.407 -11.407
43 1HG1 ILE 6 2HG1 ILE 6 -0.392 -9.231 -9.231
44 2HG1 ILE 6 1HG1 ILE 6 -1.025 -10.727 -10.727
45 1HG2 ILE 6 2HG2 ILE 6 -1.402 -9.945 -9.945
46 2HG2 ILE 6 3HG2 ILE 6 -0.735 -8.694 -8.694
47 3HG2 ILE 6 1HG2 ILE 6 -2.467 -9.116 -9.116
48 1HD1 ILE 6 3HD1 ILE 6 -3.397 -9.969 -9.969
49 2HD1 ILE 6 1HD1 ILE 6 -2.719 -8.372 -8.372
50 3HD1 ILE 6 2HD1 ILE 6 -2.529 -8.994 -8.994
51 H ARG 7 H ARG 7 2.261 -11.860 -11.860
52 HA ARG 7 HA ARG 7 1.063 -12.319 -12.319
53 1HB ARG 7 1HB ARG 7 1.839 -14.479 -14.479
54 2HB ARG 7 2HB ARG 7 3.445 -13.840 -13.840
55 1HG ARG 7 1HG ARG 7 2.385 -13.760 -13.760
56 2HG ARG 7 2HG ARG 7 2.548 -15.359 -15.359
57 1HD ARG 7 1HD ARG 7 4.892 -15.283 -15.283
58 2HD ARG 7 2HD ARG 7 5.008 -13.557 -13.557
59 HE ARG 7 HE ARG 7 4.853 -15.166 -15.166
60 1HH1 ARG 7 2HH2 ARG 7 4.501 -11.946 -11.946
61 2HH1 ARG 7 1HH2 ARG 7 4.648 -11.177 -11.177
62 1HH2 ARG 7 1HH1 ARG 7 5.092 -14.245 -14.245
63 2HH2 ARG 7 2HH1 ARG 7 5.063 -12.431 -12.431
64 H GLN 8 H GLN 8 1.406 -9.934 -9.934
65 HA GLN 8 HA GLN 8 3.876 -8.668 -8.668
66 1HB GLN 8 1HB GLN 8 1.231 -7.732 -7.732
67 2HB GLN 8 2HB GLN 8 2.598 -6.665 -6.665
68 1HG GLN 8 1HG GLN 8 2.537 -7.041 -7.041
69 2HG GLN 8 2HG GLN 8 1.126 -8.063 -8.063
70 1HE2 GLN 8 2HE2 GLN 8 -1.018 -5.177 -5.177
71 2HE2 GLN 8 1HE2 GLN 8 -0.892 -7.003 -7.003
72 H GLY 9 H GLY 9 5.337 -7.819 -7.819
73 1HA GLY 9 1HA GLY 9 5.134 -8.227 -8.227
74 2HA GLY 9 2HA GLY 9 6.653 -8.231 -8.231
75 HA PRO 10 HA PRO 10 4.962 -3.767 -3.767
76 1HB PRO 10 2HB PRO 10 3.057 -2.685 -2.685
77 2HB PRO 10 1HB PRO 10 2.667 -3.764 -3.764
78 1HG PRO 10 1HG PRO 10 3.084 -4.531 -4.531
79 2HG PRO 10 2HG PRO 10 1.686 -4.928 -4.928
80 1HD PRO 10 1HD PRO 10 3.724 -6.728 -6.728
81 2HD PRO 10 2HD PRO 10 2.956 -6.573 -6.573
82 H LYS 11 H LYS 11 5.510 -1.699 -1.699
83 HA LYS 11 HA LYS 11 6.532 -1.095 -1.095
84 1HB LYS 11 1HB LYS 11 8.118 -0.329 -0.329
85 2HB LYS 11 2HB LYS 11 8.373 0.356 0.356
86 1HG LYS 11 1HG LYS 11 10.014 -1.221 -1.221
87 2HG LYS 11 2HG LYS 11 8.705 -2.163 -2.163
88 1HD LYS 11 1HD LYS 11 8.378 -2.891 -2.891
89 2HD LYS 11 2HD LYS 11 10.012 -2.299 -2.299
90 1HE LYS 11 1HE LYS 11 10.338 -4.622 -4.622
91 2HE LYS 11 2HE LYS 11 10.625 -3.923 -3.923
92 1HZ LYS 11 3HZ LYS 11 8.044 -4.340 -4.340
93 2HZ LYS 11 1HZ LYS 11 8.084 -5.255 -5.255
94 3HZ LYS 11 2HZ LYS 11 8.980 -5.712 -5.712
95 H GLU 12 H GLU 12 6.229 0.804 0.804
96 HA GLU 12 HA GLU 12 5.000 3.085 3.085
97 1HB GLU 12 2HB GLU 12 4.879 4.164 4.164
98 2HB GLU 12 1HB GLU 12 6.448 3.458 3.458
99 1HG GLU 12 1HG GLU 12 4.241 2.206 2.206
100 2HG GLU 12 2HG GLU 12 5.346 3.429 3.429
101 HE2 GLU 12 HE2 GLU 12 7.758 1.251 1.251
102 HA PRO 13 HA PRO 13 0.554 1.655 1.655
103 1HB PRO 13 1HB PRO 13 0.982 -1.298 -1.298
104 2HB PRO 13 2HB PRO 13 -0.132 -0.605 -0.605
105 1HG PRO 13 1HG PRO 13 2.156 -1.766 -1.766
106 2HG PRO 13 2HG PRO 13 1.724 -0.180 -0.180
107 1HD PRO 13 1HD PRO 13 3.634 -0.744 -0.744
108 2HD PRO 13 2HD PRO 13 3.957 0.217 0.217
109 H PHE 14 H PHE 14 2.493 0.386 0.386
110 HA PHE 14 HA PHE 14 0.361 -0.778 -0.778
111 1HB PHE 14 1HB PHE 14 2.954 -1.200 -1.200
112 2HB PHE 14 2HB PHE 14 3.165 0.253 0.253
113 HD1 PHE 14 HD2 PHE 14 1.002 -2.902 -2.902
114 HD2 PHE 14 HD1 PHE 14 3.773 -0.311 -0.311
115 HE1 PHE 14 HE2 PHE 14 0.963 -4.384 -4.384
116 HE2 PHE 14 HE1 PHE 14 3.754 -1.828 -1.828
117 HZ PHE 14 HZ PHE 14 2.342 -3.858 -3.858
118 H ARG 15 H ARG 15 1.081 2.625 2.625
119 HA ARG 15 HA ARG 15 -0.820 2.865 2.865
120 1HB ARG 15 1HB ARG 15 1.566 4.590 4.590
121 2HB ARG 15 2HB ARG 15 0.208 5.454 5.454
122 1HG ARG 15 1HG ARG 15 1.827 5.286 5.286
123 2HG ARG 15 2HG ARG 15 0.416 4.437 4.437
124 1HD ARG 15 1HD ARG 15 2.922 3.038 3.038
125 2HD ARG 15 2HD ARG 15 2.763 3.425 3.425
126 HE ARG 15 HE ARG 15 0.843 1.561 1.561
127 1HH1 ARG 15 2HH2 ARG 15 2.262 2.375 2.375
128 2HH1 ARG 15 1HH2 ARG 15 1.569 0.870 0.870
129 1HH2 ARG 15 1HH1 ARG 15 0.220 -0.148 -0.148
130 2HH2 ARG 15 2HH1 ARG 15 0.474 -0.506 -0.506
131 H ASP 16 H ASP 16 -0.856 3.199 3.199
132 HA ASP 16 HA ASP 16 -3.558 4.442 4.442
133 1HB ASP 16 1HB ASP 16 -2.008 4.979 4.979
134 2HB ASP 16 2HB ASP 16 -1.987 3.262 3.262
135 HD1 ASP 16 HD2 ASP 16 -5.064 5.595 5.595
136 H TYR 17 H TYR 17 -2.234 1.574 1.574
137 HA TYR 17 HA TYR 17 -4.583 -0.142 -0.142
138 1HB TYR 17 1HB TYR 17 -2.809 -1.564 -1.564
139 2HB TYR 17 2HB TYR 17 -1.688 -0.818 -0.818
140 HD1 TYR 17 HD2 TYR 17 -4.635 -3.176 -3.176
141 HD2 TYR 17 HD1 TYR 17 -1.213 -1.733 -1.733
142 HE1 TYR 17 HE2 TYR 17 -5.079 -4.782 -4.782
143 HE2 TYR 17 HE1 TYR 17 -1.677 -3.323 -3.323
144 HH TYR 17 HH TYR 17 -4.627 -5.266 -5.266
145 H VAL 18 H VAL 18 -2.407 0.648 0.648
146 HA VAL 18 HA VAL 18 -4.151 -0.048 -0.048
147 HB VAL 18 HB VAL 18 -1.796 1.065 1.065
148 1HG1 VAL 18 2HG1 VAL 18 -2.637 3.309 3.309
149 2HG1 VAL 18 3HG1 VAL 18 -3.170 3.689 3.689
150 3HG1 VAL 18 1HG1 VAL 18 -1.432 3.335 3.335
151 1HG2 VAL 18 2HG2 VAL 18 -3.012 0.327 0.327
152 2HG2 VAL 18 3HG2 VAL 18 -1.990 1.783 1.783
153 3HG2 VAL 18 1HG2 VAL 18 -3.754 1.947 1.947
154 H ASP 19 H ASP 19 -4.530 2.999 2.999
155 HA ASP 19 HA ASP 19 -6.413 3.915 3.915
156 1HB ASP 19 1HB ASP 19 -4.839 5.468 5.468
157 2HB ASP 19 2HB ASP 19 -5.822 5.173 5.173
158 HD2 ASP 19 HD2 ASP 19 -7.815 7.808 7.808
159 H ARG 20 H ARG 20 -6.645 2.323 2.323
160 HA ARG 20 HA ARG 20 -9.468 2.535 2.535
161 1HB ARG 20 1HB ARG 20 -7.466 2.793 2.793
162 2HB ARG 20 2HB ARG 20 -6.881 1.234 1.234
163 1HG ARG 20 1HG ARG 20 -8.591 0.027 0.027
164 2HG ARG 20 2HG ARG 20 -9.730 1.357 1.357
165 1HD ARG 20 1HD ARG 20 -8.962 1.116 1.116
166 2HD ARG 20 2HD ARG 20 -8.457 2.655 2.655
167 HE ARG 20 HE ARG 20 -6.094 1.842 1.842
168 1HH1 ARG 20 2HH2 ARG 20 -8.071 -0.472 -0.472
169 2HH1 ARG 20 1HH2 ARG 20 -6.631 -1.153 -1.153
170 1HH2 ARG 20 1HH1 ARG 20 -4.591 1.270 1.270
171 2HH2 ARG 20 2HH1 ARG 20 -4.714 -0.221 -0.221
172 H PHE 21 H PHE 21 -7.089 0.072 0.072
173 HA PHE 21 HA PHE 21 -8.985 -1.994 -1.994
174 1HB PHE 21 1HB PHE 21 -6.352 -2.008 -2.008
175 2HB PHE 21 2HB PHE 21 -6.341 -1.219 -1.219
176 HD1 PHE 21 HD1 PHE 21 -7.603 -4.334 -4.334
177 HD2 PHE 21 HD2 PHE 21 -6.395 -2.581 -2.581
178 HE1 PHE 21 HE1 PHE 21 -7.607 -6.561 -6.561
179 HE2 PHE 21 HE2 PHE 21 -6.405 -4.810 -4.810
180 HZ PHE 21 HZ PHE 21 -7.002 -6.804 -6.804
181 H TYR 22 H TYR 22 -7.653 0.611 0.611
182 HA TYR 22 HA TYR 22 -9.485 0.206 0.206
183 1HB TYR 22 1HB TYR 22 -7.283 1.538 1.538
184 2HB TYR 22 2HB TYR 22 -8.028 2.794 2.794
185 HD1 TYR 22 HD2 TYR 22 -8.385 0.945 0.945
186 HD2 TYR 22 HD1 TYR 22 -9.182 4.587 4.587
187 HE1 TYR 22 HE2 TYR 22 -9.238 1.978 1.978
188 HE2 TYR 22 HE1 TYR 22 -10.036 5.610 5.610
189 HH TYR 22 HH TYR 22 -10.196 5.379 5.379
190 H LYS 23 H LYS 23 -10.079 2.414 2.414
191 HA LYS 23 HA LYS 23 -12.794 2.952 2.952
192 1HB LYS 23 2HB LYS 23 -11.509 4.523 4.523
193 2HB LYS 23 1HB LYS 23 -11.527 3.239 3.239
194 1HG LYS 23 1HG LYS 23 -13.123 5.230 5.230
195 2HG LYS 23 2HG LYS 23 -13.754 3.622 3.622
196 1HD LYS 23 1HD LYS 23 -15.433 5.033 5.033
197 2HD LYS 23 2HD LYS 23 -15.046 3.650 3.650
198 1HE LYS 23 1HE LYS 23 -13.476 5.215 5.215
199 2HE LYS 23 2HE LYS 23 -14.131 6.571 6.571
200 1HZ LYS 23 3HZ LYS 23 -15.869 4.563 4.563
201 2HZ LYS 23 1HZ LYS 23 -15.470 6.040 6.040
202 3HZ LYS 23 2HZ LYS 23 -16.411 5.919 5.919
203 H THR 24 H THR 24 -11.552 0.478 0.478
204 HA THR 24 HA THR 24 -14.061 -0.874 -0.874
205 HB THR 24 HB THR 24 -11.404 -2.193 -2.193
206 HG1 THR 24 HG1 THR 24 -11.255 -0.785 -0.785
207 1HG2 THR 24 2HG2 THR 24 -13.237 -3.928 -3.928
208 2HG2 THR 24 3HG2 THR 24 -13.844 -3.250 -3.250
209 3HG2 THR 24 1HG2 THR 24 -12.247 -4.036 -4.036
210 H LEU 25 H LEU 25 -11.807 -1.606 -1.606
211 HA LEU 25 HA LEU 25 -13.774 -2.911 -2.911
212 1HB LEU 25 1HB LEU 25 -11.258 -2.836 -2.836
213 2HB LEU 25 2HB LEU 25 -11.337 -1.156 -1.156
214 HG LEU 25 HG LEU 25 -10.981 -2.862 -2.862
215 1HD1 LEU 25 1HD2 LEU 25 -11.814 -0.534 -0.534
216 2HD1 LEU 25 2HD2 LEU 25 -13.480 -1.153 -1.153
217 3HD1 LEU 25 3HD2 LEU 25 -12.304 -1.760 -1.760
218 1HD2 LEU 25 3HD1 LEU 25 -12.605 -4.632 -4.632
219 2HD2 LEU 25 1HD1 LEU 25 -12.842 -4.200 -4.200
220 3HD2 LEU 25 2HD1 LEU 25 -13.966 -3.592 -3.592
221 H ARG 26 H ARG 26 -13.125 0.726 0.726
222 HA ARG 26 HA ARG 26 -15.623 1.032 1.032
223 1HB ARG 26 1HB ARG 26 -13.875 3.224 3.224
224 2HB ARG 26 2HB ARG 26 -15.134 3.519 3.519
225 1HG ARG 26 2HG ARG 26 -12.391 2.257 2.257
226 2HG ARG 26 1HG ARG 26 -12.943 3.863 3.863
227 1HD ARG 26 1HD ARG 26 -14.686 2.776 2.776
228 2HD ARG 26 2HD ARG 26 -13.961 1.198 1.198
229 HE ARG 26 HE ARG 26 -11.797 3.046 3.046
230 1HH1 ARG 26 2HH2 ARG 26 -14.329 1.243 1.243
231 2HH1 ARG 26 1HH2 ARG 26 -13.615 1.654 1.654
232 1HH2 ARG 26 1HH1 ARG 26 -11.018 3.390 3.390
233 2HH2 ARG 26 2HH1 ARG 26 -11.780 2.750 2.750
234 H ALA 27 H ALA 27 -15.637 -0.042 -0.042
235 HA ALA 27 HA ALA 27 -18.368 1.111 1.111
236 1HB ALA 27 3HB ALA 27 -16.943 1.648 1.648
237 2HB ALA 27 1HB ALA 27 -16.573 -0.080 -0.080
238 3HB ALA 27 2HB ALA 27 -18.237 0.514 0.514
239 H GLU 28 H GLU 28 -16.460 -1.997 -1.997
240 HA GLU 28 HA GLU 28 -18.689 -3.807 -3.807
241 1HB GLU 28 1HB GLU 28 -15.935 -3.846 -3.846
242 2HB GLU 28 2HB GLU 28 -17.031 -5.214 -5.214
243 1HG GLU 28 2HG GLU 28 -16.859 -5.377 -5.377
244 2HG GLU 28 1HG GLU 28 -15.790 -4.001 -4.001
245 HE2 GLU 28 HE2 GLU 28 -14.355 -7.549 -7.549
246 H GLN 29 H GLN 29 -17.072 -1.966 -1.966
247 HA GLN 29 HA GLN 29 -19.064 -2.652 -2.652
248 1HB GLN 29 2HB GLN 29 -17.229 -0.160 -0.160
249 2HB GLN 29 1HB GLN 29 -18.208 -0.629 -0.629
250 1HG GLN 29 2HG GLN 29 -16.846 -2.913 -2.913
251 2HG GLN 29 1HG GLN 29 -15.739 -2.052 -2.052
252 1HE2 GLN 29 2HE2 GLN 29 -15.079 -1.519 -1.519
253 2HE2 GLN 29 1HE2 GLN 29 -15.983 -2.926 -2.926
254 H ALA 30 H ALA 30 -18.758 0.230 0.230
255 HA ALA 30 HA ALA 30 -21.414 1.252 1.252
256 1HB ALA 30 3HB ALA 30 -19.460 2.833 2.833
257 2HB ALA 30 1HB ALA 30 -19.284 2.476 2.476
258 3HB ALA 30 2HB ALA 30 -20.735 3.298 3.298
259 H SER 31 H SER 31 -22.204 -0.863 -0.863
260 HA SER 31 HA SER 31 -23.096 -0.439 -0.439
261 1HB SER 31 1HB SER 31 -22.407 -3.005 -3.005
262 2HB SER 31 2HB SER 31 -23.448 -3.054 -3.054
263 HG SER 31 HG SER 31 -20.832 -1.871 -1.871
264 HXT SER 31 HO OH 32 -26.300 -0.177 -0.177
Start of MODEL 5
1 1H CYS 1 3H CYS 1 -14.988 5.084 5.084
2 2H CYS 1 1H CYS 1 -14.372 6.616 6.616
3 3H CYS 1 2H CYS 1 -13.997 5.539 5.539
4 HA CYS 1 HA CYS 1 -12.075 5.646 5.646
5 1HB CYS 1 1HB CYS 1 -14.187 5.174 5.174
6 2HB CYS 1 2HB CYS 1 -12.442 5.280 5.280
7 HG CYS 1 HG CYS 1 -13.548 7.508 7.508
8 H SER 2 H SER 2 -10.827 3.763 3.763
9 HA SER 2 HA SER 2 -12.129 1.083 1.083
10 1HB SER 2 2HB SER 2 -9.743 0.348 0.348
11 2HB SER 2 1HB SER 2 -10.113 1.723 1.723
12 HG SER 2 HG SER 2 -8.106 1.953 1.953
13 H ILE 3 H ILE 3 -11.044 -0.730 -0.730
14 HA ILE 3 HA ILE 3 -11.481 -0.495 -0.495
15 HB ILE 3 HB ILE 3 -12.317 -2.479 -2.479
16 1HG1 ILE 3 1HG1 ILE 3 -11.582 -4.247 -4.247
17 2HG1 ILE 3 2HG1 ILE 3 -10.466 -3.092 -3.092
18 1HG2 ILE 3 3HG2 ILE 3 -10.192 -2.829 -2.829
19 2HG2 ILE 3 1HG2 ILE 3 -9.368 -3.413 -3.413
20 3HG2 ILE 3 2HG2 ILE 3 -10.767 -4.303 -4.303
21 1HD1 ILE 3 2HD1 ILE 3 -13.552 -2.725 -2.725
22 2HD1 ILE 3 3HD1 ILE 3 -12.645 -3.264 -3.264
23 3HD1 ILE 3 1HD1 ILE 3 -12.430 -1.612 -1.612
24 H LEU 4 H LEU 4 -8.643 -0.900 -0.900
25 HA LEU 4 HA LEU 4 -6.734 -0.638 -0.638
26 1HB LEU 4 1HB LEU 4 -6.179 -0.764 -0.764
27 2HB LEU 4 2HB LEU 4 -4.948 -0.714 -0.714
28 HG LEU 4 HG LEU 4 -6.960 -3.016 -3.016
29 1HD1 LEU 4 2HD2 LEU 4 -5.352 -2.841 -2.841
30 2HD1 LEU 4 3HD2 LEU 4 -3.973 -2.860 -2.860
31 3HD1 LEU 4 1HD2 LEU 4 -5.025 -4.286 -4.286
32 1HD2 LEU 4 3HD1 LEU 4 -4.455 -2.826 -2.826
33 2HD2 LEU 4 1HD1 LEU 4 -6.151 -2.904 -2.904
34 3HD2 LEU 4 2HD1 LEU 4 -5.423 -4.293 -4.293
35 H ASP 5 H ASP 5 -8.191 1.357 1.357
36 HA ASP 5 HA ASP 5 -6.778 3.857 3.857
37 1HB ASP 5 1HB ASP 5 -9.091 3.273 3.273
38 2HB ASP 5 2HB ASP 5 -9.792 3.496 3.496
39 HD2 ASP 5 HD2 ASP 5 -9.843 6.904 6.904
40 H ILE 6 H ILE 6 -9.118 3.404 3.404
41 HA ILE 6 HA ILE 6 -7.419 5.126 5.126
42 HB ILE 6 HB ILE 6 -10.231 4.007 4.007
43 1HG1 ILE 6 1HG1 ILE 6 -9.292 6.724 6.724
44 2HG1 ILE 6 2HG1 ILE 6 -10.294 5.541 5.541
45 1HG2 ILE 6 3HG2 ILE 6 -8.843 4.586 4.586
46 2HG2 ILE 6 1HG2 ILE 6 -8.529 6.205 6.205
47 3HG2 ILE 6 2HG2 ILE 6 -10.175 5.715 5.715
48 1HD1 ILE 6 2HD1 ILE 6 -12.142 5.901 5.901
49 2HD1 ILE 6 3HD1 ILE 6 -11.172 7.233 7.233
50 3HD1 ILE 6 1HD1 ILE 6 -11.743 7.337 7.337
51 H ARG 7 H ARG 7 -5.926 3.427 3.427
52 HA ARG 7 HA ARG 7 -6.081 1.013 1.013
53 1HB ARG 7 2HB ARG 7 -3.715 2.554 2.554
54 2HB ARG 7 1HB ARG 7 -3.518 0.989 0.989
55 1HG ARG 7 1HG ARG 7 -4.656 -0.211 -0.211
56 2HG ARG 7 2HG ARG 7 -5.688 1.098 1.098
57 1HD ARG 7 1HD ARG 7 -2.644 1.068 1.068
58 2HD ARG 7 2HD ARG 7 -3.866 0.384 0.384
59 HE ARG 7 HE ARG 7 -4.731 3.106 3.106
60 1HH1 ARG 7 2HH2 ARG 7 -2.227 1.541 1.541
61 2HH1 ARG 7 1HH2 ARG 7 -2.107 2.958 2.958
62 1HH2 ARG 7 1HH1 ARG 7 -4.548 4.663 4.663
63 2HH2 ARG 7 2HH1 ARG 7 -3.381 4.658 4.658
64 H GLN 8 H GLN 8 -6.607 3.394 3.394
65 HA GLN 8 HA GLN 8 -4.495 3.971 3.971
66 1HB GLN 8 1HB GLN 8 -7.539 4.417 4.417
67 2HB GLN 8 2HB GLN 8 -6.402 5.030 5.030
68 1HG GLN 8 1HG GLN 8 -5.153 6.298 6.298
69 2HG GLN 8 2HG GLN 8 -6.409 5.804 5.804
70 1HE2 GLN 8 2HE2 GLN 8 -7.277 8.841 8.841
71 2HE2 GLN 8 1HE2 GLN 8 -5.691 7.912 7.912
72 H GLY 9 H GLY 9 -3.694 2.072 2.072
73 1HA GLY 9 1HA GLY 9 -4.838 1.078 1.078
74 2HA GLY 9 2HA GLY 9 -4.572 -0.145 -0.145
75 HA PRO 10 HA PRO 10 -0.439 1.013 1.013
76 1HB PRO 10 2HB PRO 10 -0.345 -0.697 -0.697
77 2HB PRO 10 1HB PRO 10 -1.101 0.900 0.900
78 1HG PRO 10 1HG PRO 10 -2.466 -1.824 -1.824
79 2HG PRO 10 2HG PRO 10 -2.954 -0.533 -0.533
80 1HD PRO 10 1HD PRO 10 -4.158 -0.831 -0.831
81 2HD PRO 10 2HD PRO 10 -3.892 0.798 0.798
82 H LYS 11 H LYS 11 1.451 -0.076 -0.076
83 HA LYS 11 HA LYS 11 1.640 -2.970 -2.970
84 1HB LYS 11 1HB LYS 11 2.911 -0.787 -0.787
85 2HB LYS 11 2HB LYS 11 3.209 -2.503 -2.503
86 1HG LYS 11 1HG LYS 11 1.674 -2.470 -2.470
87 2HG LYS 11 2HG LYS 11 0.540 -2.702 -2.702
88 1HD LYS 11 1HD LYS 11 0.300 -0.111 -0.111
89 2HD LYS 11 2HD LYS 11 1.279 -0.022 -0.022
90 1HE LYS 11 1HE LYS 11 -0.446 -1.337 -1.337
91 2HE LYS 11 2HE LYS 11 -1.372 -1.638 -1.638
92 1HZ LYS 11 1HZ LYS 11 -1.625 0.795 0.795
93 2HZ LYS 11 2HZ LYS 11 -0.834 1.129 1.129
94 3HZ LYS 11 3HZ LYS 11 -2.304 0.389 0.389
95 H GLU 12 H GLU 12 3.858 -0.105 -0.105
96 HA GLU 12 HA GLU 12 5.956 -1.641 -1.641
97 1HB GLU 12 2HB GLU 12 5.681 1.378 1.378
98 2HB GLU 12 1HB GLU 12 7.081 0.674 0.674
99 1HG GLU 12 1HG GLU 12 7.557 -0.786 -0.786
100 2HG GLU 12 2HG GLU 12 6.122 -0.195 -0.195
101 HE1 GLU 12 HE2 GLU 12 7.503 2.814 2.814
102 HA PRO 13 HA PRO 13 5.054 0.611 0.611
103 1HB PRO 13 1HB PRO 13 2.657 2.400 2.400
104 2HB PRO 13 2HB PRO 13 4.356 2.874 2.874
105 1HG PRO 13 1HG PRO 13 3.034 3.567 3.567
106 2HG PRO 13 2HG PRO 13 4.763 3.125 3.125
107 1HD PRO 13 1HD PRO 13 2.363 1.209 1.209
108 2HD PRO 13 2HD PRO 13 3.625 1.553 1.553
109 H PHE 14 H PHE 14 2.685 1.289 1.289
110 HA PHE 14 HA PHE 14 0.513 -0.346 -0.346
111 1HB PHE 14 1HB PHE 14 0.627 -2.116 -2.116
112 2HB PHE 14 2HB PHE 14 2.202 -2.172 -2.172
113 HD1 PHE 14 HD2 PHE 14 3.815 -0.201 -0.201
114 HD2 PHE 14 HD1 PHE 14 0.843 -3.089 -3.089
115 HE1 PHE 14 HE2 PHE 14 4.869 -0.409 -0.409
116 HE2 PHE 14 HE1 PHE 14 1.934 -3.308 -3.308
117 HZ PHE 14 HZ PHE 14 3.946 -1.970 -1.970
118 H ARG 15 H ARG 15 0.519 2.123 2.123
119 HA ARG 15 HA ARG 15 -0.856 2.831 2.831
120 1HB ARG 15 1HB ARG 15 1.796 3.839 3.839
121 2HB ARG 15 2HB ARG 15 0.698 5.131 5.131
122 1HG ARG 15 1HG ARG 15 1.373 5.680 5.680
123 2HG ARG 15 2HG ARG 15 -0.115 4.888 4.888
124 1HD ARG 15 1HD ARG 15 2.753 3.703 3.703
125 2HD ARG 15 2HD ARG 15 1.801 4.361 4.361
126 HE ARG 15 HE ARG 15 0.670 1.899 1.899
127 1HH1 ARG 15 2HH2 ARG 15 2.304 3.032 3.032
128 2HH1 ARG 15 1HH2 ARG 15 2.016 1.429 1.429
129 1HH2 ARG 15 1HH1 ARG 15 0.450 0.180 0.180
130 2HH2 ARG 15 2HH1 ARG 15 1.005 -0.120 -0.120
131 H ASP 16 H ASP 16 -0.847 3.459 3.459
132 HA ASP 16 HA ASP 16 -3.668 4.334 4.334
133 1HB ASP 16 1HB ASP 16 -2.104 4.949 4.949
134 2HB ASP 16 2HB ASP 16 -2.250 3.263 3.263
135 HD1 ASP 16 HD2 ASP 16 -5.200 5.924 5.924
136 H TYR 17 H TYR 17 -2.195 1.634 1.634
137 HA TYR 17 HA TYR 17 -4.337 -0.320 -0.320
138 1HB TYR 17 1HB TYR 17 -2.388 -1.655 -1.655
139 2HB TYR 17 2HB TYR 17 -1.476 -0.775 -0.775
140 HD1 TYR 17 HD1 TYR 17 -4.252 -3.324 -3.324
141 HD2 TYR 17 HD2 TYR 17 -1.263 -1.490 -1.490
142 HE1 TYR 17 HE1 TYR 17 -4.779 -4.882 -4.882
143 HE2 TYR 17 HE2 TYR 17 -1.776 -3.037 -3.037
144 HH TYR 17 HH TYR 17 -3.166 -4.686 -4.686
145 H VAL 18 H VAL 18 -2.363 0.617 0.617
146 HA VAL 18 HA VAL 18 -4.173 -0.032 -0.032
147 HB VAL 18 HB VAL 18 -1.805 1.060 1.060
148 1HG1 VAL 18 2HG1 VAL 18 -2.624 3.322 3.322
149 2HG1 VAL 18 3HG1 VAL 18 -3.203 3.685 3.685
150 3HG1 VAL 18 1HG1 VAL 18 -1.454 3.343 3.343
151 1HG2 VAL 18 3HG2 VAL 18 -3.055 0.326 0.326
152 2HG2 VAL 18 1HG2 VAL 18 -2.079 1.811 1.811
153 3HG2 VAL 18 2HG2 VAL 18 -3.841 1.930 1.930
154 H ASP 19 H ASP 19 -4.487 2.982 2.982
155 HA ASP 19 HA ASP 19 -6.341 4.035 4.035
156 1HB ASP 19 2HB ASP 19 -4.679 5.255 5.255
157 2HB ASP 19 1HB ASP 19 -6.064 5.102 5.102
158 HD1 ASP 19 HD2 ASP 19 -6.123 7.635 7.635
159 H ARG 20 H ARG 20 -6.606 2.455 2.455
160 HA ARG 20 HA ARG 20 -9.423 2.575 2.575
161 1HB ARG 20 1HB ARG 20 -7.212 2.810 2.810
162 2HB ARG 20 2HB ARG 20 -6.828 1.181 1.181
163 1HG ARG 20 1HG ARG 20 -8.823 0.331 0.331
164 2HG ARG 20 2HG ARG 20 -9.355 1.998 1.998
165 1HD ARG 20 1HD ARG 20 -7.089 2.493 2.493
166 2HD ARG 20 2HD ARG 20 -6.662 0.786 0.786
167 HE ARG 20 HE ARG 20 -9.085 0.580 0.580
168 1HH1 ARG 20 2HH2 ARG 20 -6.280 2.651 2.651
169 2HH1 ARG 20 1HH2 ARG 20 -6.635 2.539 2.539
170 1HH2 ARG 20 1HH1 ARG 20 -9.340 0.547 0.547
171 2HH2 ARG 20 2HH1 ARG 20 -8.174 1.455 1.455
172 H PHE 21 H PHE 21 -7.052 0.136 0.136
173 HA PHE 21 HA PHE 21 -8.911 -1.932 -1.932
174 1HB PHE 21 1HB PHE 21 -6.303 -1.929 -1.929
175 2HB PHE 21 2HB PHE 21 -6.302 -1.001 -1.001
176 HD1 PHE 21 HD1 PHE 21 -7.375 -4.326 -4.326
177 HD2 PHE 21 HD2 PHE 21 -6.438 -2.097 -2.097
178 HE1 PHE 21 HE1 PHE 21 -7.347 -6.412 -6.412
179 HE2 PHE 21 HE2 PHE 21 -6.414 -4.192 -4.192
180 HZ PHE 21 HZ PHE 21 -6.861 -6.350 -6.350
181 H TYR 22 H TYR 22 -7.673 0.755 0.755
182 HA TYR 22 HA TYR 22 -9.499 0.266 0.266
183 1HB TYR 22 1HB TYR 22 -7.264 1.619 1.619
184 2HB TYR 22 2HB TYR 22 -8.128 2.948 2.948
185 HD1 TYR 22 HD1 TYR 22 -8.157 0.639 0.639
186 HD2 TYR 22 HD2 TYR 22 -9.150 4.551 4.551
187 HE1 TYR 22 HE1 TYR 22 -8.742 1.360 1.360
188 HE2 TYR 22 HE2 TYR 22 -9.707 5.270 5.270
189 HH TYR 22 HH TYR 22 -9.092 3.221 3.221
190 H LYS 23 H LYS 23 -10.148 2.514 2.514
191 HA LYS 23 HA LYS 23 -12.843 3.033 3.033
192 1HB LYS 23 2HB LYS 23 -11.657 4.662 4.662
193 2HB LYS 23 1HB LYS 23 -11.619 3.383 3.383
194 1HG LYS 23 1HG LYS 23 -13.288 5.072 5.072
195 2HG LYS 23 2HG LYS 23 -14.123 3.589 3.589
196 1HD LYS 23 1HD LYS 23 -14.021 4.926 4.926
197 2HD LYS 23 2HD LYS 23 -14.054 6.251 6.251
198 1HE LYS 23 1HE LYS 23 -16.330 5.860 5.860
199 2HE LYS 23 2HE LYS 23 -16.109 5.173 5.173
200 1HZ LYS 23 1HZ LYS 23 -15.660 2.930 2.930
201 2HZ LYS 23 2HZ LYS 23 -16.395 3.653 3.653
202 3HZ LYS 23 3HZ LYS 23 -17.234 3.419 3.419
203 H THR 24 H THR 24 -11.631 0.630 0.630
204 HA THR 24 HA THR 24 -14.106 -0.803 -0.803
205 HB THR 24 HB THR 24 -11.375 -1.990 -1.990
206 HG1 THR 24 HG1 THR 24 -11.303 -0.616 -0.616
207 1HG2 THR 24 3HG2 THR 24 -13.838 -3.160 -3.160
208 2HG2 THR 24 1HG2 THR 24 -12.195 -3.841 -3.841
209 3HG2 THR 24 2HG2 THR 24 -13.075 -3.842 -3.842
210 H LEU 25 H LEU 25 -11.712 -1.490 -1.490
211 HA LEU 25 HA LEU 25 -13.449 -2.950 -2.950
212 1HB LEU 25 1HB LEU 25 -10.942 -2.633 -2.633
213 2HB LEU 25 2HB LEU 25 -11.161 -0.967 -0.967
214 HG LEU 25 HG LEU 25 -10.479 -2.638 -2.638
215 1HD1 LEU 25 1HD2 LEU 25 -11.346 -0.372 -0.372
216 2HD1 LEU 25 2HD2 LEU 25 -12.995 -1.022 -1.022
217 3HD1 LEU 25 3HD2 LEU 25 -11.747 -1.594 -1.594
218 1HD2 LEU 25 2HD1 LEU 25 -12.053 -4.515 -4.515
219 2HD2 LEU 25 3HD1 LEU 25 -12.136 -4.067 -4.067
220 3HD2 LEU 25 1HD1 LEU 25 -13.424 -3.551 -3.551
221 H ARG 26 H ARG 26 -13.157 0.737 0.737
222 HA ARG 26 HA ARG 26 -15.592 0.807 0.807
223 1HB ARG 26 1HB ARG 26 -13.936 2.999 2.999
224 2HB ARG 26 2HB ARG 26 -15.383 3.388 3.388
225 1HG ARG 26 1HG ARG 26 -14.398 2.372 2.372
226 2HG ARG 26 2HG ARG 26 -12.883 2.073 2.073
227 1HD ARG 26 1HD ARG 26 -12.584 4.494 4.494
228 2HD ARG 26 2HD ARG 26 -14.108 4.912 4.912
229 HE ARG 26 HE ARG 26 -11.590 3.883 3.883
230 1HH1 ARG 26 2HH2 ARG 26 -14.976 4.635 4.635
231 2HH1 ARG 26 1HH2 ARG 26 -14.713 4.841 4.841
232 1HH2 ARG 26 1HH1 ARG 26 -11.334 4.246 4.246
233 2HH2 ARG 26 2HH1 ARG 26 -12.734 4.612 4.612
234 H ALA 27 H ALA 27 -15.602 -0.224 -0.224
235 HA ALA 27 HA ALA 27 -18.460 0.580 0.580
236 1HB ALA 27 2HB ALA 27 -17.119 0.880 0.880
237 2HB ALA 27 3HB ALA 27 -16.632 -0.827 -0.827
238 3HB ALA 27 1HB ALA 27 -18.336 -0.395 -0.395
239 H GLU 28 H GLU 28 -16.291 -2.323 -2.323
240 HA GLU 28 HA GLU 28 -18.360 -4.270 -4.270
241 1HB GLU 28 1HB GLU 28 -15.507 -4.025 -4.025
242 2HB GLU 28 2HB GLU 28 -16.490 -5.469 -5.469
243 1HG GLU 28 2HG GLU 28 -16.475 -5.782 -5.782
244 2HG GLU 28 1HG GLU 28 -15.604 -4.289 -4.289
245 HE2 GLU 28 HE2 GLU 28 -13.641 -7.563 -7.563
246 H GLN 29 H GLN 29 -16.623 -2.195 -2.195
247 HA GLN 29 HA GLN 29 -18.498 -2.673 -2.673
248 1HB GLN 29 2HB GLN 29 -16.779 -0.158 -0.158
249 2HB GLN 29 1HB GLN 29 -17.641 -0.488 -0.488
250 1HG GLN 29 2HG GLN 29 -16.190 -2.592 -2.592
251 2HG GLN 29 1HG GLN 29 -15.241 -2.082 -2.082
252 1HE2 GLN 29 2HE2 GLN 29 -14.164 -0.447 -0.447
253 2HE2 GLN 29 1HE2 GLN 29 -15.177 -1.975 -1.975
254 H ALA 30 H ALA 30 -18.626 -0.451 -0.451
255 HA ALA 30 HA ALA 30 -19.870 1.530 1.530
256 1HB ALA 30 1HB ALA 30 -21.685 -0.216 -0.216
257 2HB ALA 30 2HB ALA 30 -22.103 0.024 0.024
258 3HB ALA 30 3HB ALA 30 -22.339 1.343 1.343
259 H SER 31 H SER 31 -18.374 2.701 2.701
260 HA SER 31 HA SER 31 -19.718 4.435 4.435
261 1HB SER 31 1HB SER 31 -17.528 2.411 2.411
262 2HB SER 31 2HB SER 31 -17.998 3.811 3.811
263 HG SER 31 HG SER 31 -20.081 2.189 2.189
264 HXT SER 31 HO OH 32 -17.551 6.618 6.618
Start of MODEL 6
1 1H CYS 1 2H CYS 1 13.332 8.585 8.585
2 2H CYS 1 3H CYS 1 14.254 9.718 9.718
3 3H CYS 1 1H CYS 1 14.932 8.298 8.298
4 HA CYS 1 HA CYS 1 15.581 10.081 10.081
5 1HB CYS 1 1HB CYS 1 12.501 10.560 10.560
6 2HB CYS 1 2HB CYS 1 13.621 11.399 11.399
7 HG CYS 1 HG CYS 1 12.998 12.975 12.975
8 H SER 2 H SER 2 14.647 10.137 10.137
9 HA SER 2 HA SER 2 14.379 7.171 7.171
10 1HB SER 2 1HB SER 2 15.866 7.724 7.724
11 2HB SER 2 2HB SER 2 16.643 8.106 8.106
12 HG SER 2 HG SER 2 16.910 9.781 9.781
13 H ILE 3 H ILE 3 14.094 10.039 10.039
14 HA ILE 3 HA ILE 3 11.992 8.836 8.836
15 HB ILE 3 HB ILE 3 13.757 10.444 10.444
16 1HG1 ILE 3 1HG1 ILE 3 12.295 11.707 11.707
17 2HG1 ILE 3 2HG1 ILE 3 10.858 11.185 11.185
18 1HG2 ILE 3 3HG2 ILE 3 13.470 12.234 12.234
19 2HG2 ILE 3 1HG2 ILE 3 11.891 12.670 12.670
20 3HG2 ILE 3 2HG2 ILE 3 13.391 12.885 12.885
21 1HD1 ILE 3 1HD1 ILE 3 12.918 9.283 9.283
22 2HD1 ILE 3 2HD1 ILE 3 11.359 9.787 9.787
23 3HD1 ILE 3 3HD1 ILE 3 11.388 8.770 8.770
24 H LEU 4 H LEU 4 11.469 11.283 11.283
25 HA LEU 4 HA LEU 4 8.434 10.877 10.877
26 1HB LEU 4 1HB LEU 4 8.182 12.832 12.832
27 2HB LEU 4 2HB LEU 4 9.088 13.212 13.212
28 HG LEU 4 HG LEU 4 11.254 13.167 13.167
29 1HD1 LEU 4 3HD2 LEU 4 9.328 12.979 12.979
30 2HD1 LEU 4 1HD2 LEU 4 11.046 13.434 13.434
31 3HD1 LEU 4 2HD2 LEU 4 10.595 11.806 11.806
32 1HD2 LEU 4 2HD1 LEU 4 10.060 15.294 15.294
33 2HD2 LEU 4 3HD1 LEU 4 10.826 15.406 15.406
34 3HD2 LEU 4 1HD1 LEU 4 9.067 15.156 15.156
35 H ASP 5 H ASP 5 10.260 8.955 8.955
36 HA ASP 5 HA ASP 5 8.929 8.236 8.236
37 1HB ASP 5 1HB ASP 5 11.470 8.867 8.867
38 2HB ASP 5 2HB ASP 5 11.783 7.381 7.381
39 HD1 ASP 5 HD2 ASP 5 10.737 5.490 5.490
40 H ILE 6 H ILE 6 10.767 6.513 6.513
41 HA ILE 6 HA ILE 6 8.451 4.544 4.544
42 HB ILE 6 HB ILE 6 11.090 4.704 4.704
43 1HG1 ILE 6 2HG1 ILE 6 10.288 3.009 3.009
44 2HG1 ILE 6 1HG1 ILE 6 11.663 4.064 4.064
45 1HG2 ILE 6 1HG2 ILE 6 9.055 3.695 3.695
46 2HG2 ILE 6 2HG2 ILE 6 8.817 2.562 2.562
47 3HG2 ILE 6 3HG2 ILE 6 10.275 2.469 2.469
48 1HD1 ILE 6 2HD1 ILE 6 12.664 2.497 2.497
49 2HD1 ILE 6 3HD1 ILE 6 11.342 1.351 1.351
50 3HD1 ILE 6 1HD1 ILE 6 12.499 1.794 1.794
51 H ARG 7 H ARG 7 7.298 6.477 6.477
52 HA ARG 7 HA ARG 7 7.512 8.260 8.260
53 1HB ARG 7 2HB ARG 7 6.740 8.659 8.659
54 2HB ARG 7 1HB ARG 7 5.217 7.873 7.873
55 1HG ARG 7 1HG ARG 7 4.557 9.714 9.714
56 2HG ARG 7 2HG ARG 7 6.195 10.316 10.316
57 1HD ARG 7 1HD ARG 7 4.937 11.819 11.819
58 2HD ARG 7 2HD ARG 7 6.202 11.048 11.048
59 HE ARG 7 HE ARG 7 3.268 10.068 10.068
60 1HH1 ARG 7 2HH2 ARG 7 6.162 10.807 10.807
61 2HH1 ARG 7 1HH2 ARG 7 5.224 10.676 10.676
62 1HH2 ARG 7 1HH1 ARG 7 2.314 9.848 9.848
63 2HH2 ARG 7 2HH1 ARG 7 3.179 10.115 10.115
64 H GLN 8 H GLN 8 6.631 5.338 5.338
65 HA GLN 8 HA GLN 8 5.680 4.198 4.198
66 1HB GLN 8 1HB GLN 8 6.065 7.059 7.059
67 2HB GLN 8 2HB GLN 8 5.718 5.678 5.678
68 1HG GLN 8 2HG GLN 8 7.746 4.477 4.477
69 2HG GLN 8 1HG GLN 8 8.098 5.641 5.641
70 1HE2 GLN 8 2HE2 GLN 8 9.749 7.803 7.803
71 2HE2 GLN 8 1HE2 GLN 8 9.108 7.597 7.597
72 H GLY 9 H GLY 9 3.683 3.883 3.883
73 1HA GLY 9 1HA GLY 9 1.208 5.266 5.266
74 2HA GLY 9 2HA GLY 9 1.193 4.410 4.410
75 HA PRO 10 HA PRO 10 -0.238 1.019 1.019
76 1HB PRO 10 2HB PRO 10 -0.248 -1.176 -1.176
77 2HB PRO 10 1HB PRO 10 -1.308 0.217 0.217
78 1HG PRO 10 1HG PRO 10 1.380 -0.311 -0.311
79 2HG PRO 10 2HG PRO 10 -0.168 0.096 0.096
80 1HD PRO 10 1HD PRO 10 1.764 2.013 2.013
81 2HD PRO 10 2HD PRO 10 0.018 2.409 2.409
82 H LYS 11 H LYS 11 0.304 -0.662 -0.662
83 HA LYS 11 HA LYS 11 1.397 -2.503 -2.503
84 1HB LYS 11 1HB LYS 11 2.703 -4.018 -4.018
85 2HB LYS 11 2HB LYS 11 1.450 -3.485 -3.485
86 1HG LYS 11 1HG LYS 11 3.092 -2.207 -2.207
87 2HG LYS 11 2HG LYS 11 4.383 -2.514 -2.514
88 1HD LYS 11 1HD LYS 11 4.120 -4.995 -4.995
89 2HD LYS 11 2HD LYS 11 2.803 -4.689 -4.689
90 1HE LYS 11 1HE LYS 11 4.423 -3.358 -3.358
91 2HE LYS 11 2HE LYS 11 5.735 -3.692 -3.692
92 1HZ LYS 11 2HZ LYS 11 4.149 -5.830 -5.830
93 2HZ LYS 11 3HZ LYS 11 5.686 -5.392 -5.392
94 3HZ LYS 11 1HZ LYS 11 5.374 -6.135 -6.135
95 H GLU 12 H GLU 12 3.807 -0.222 -0.222
96 HA GLU 12 HA GLU 12 5.816 -0.751 -0.751
97 1HB GLU 12 2HB GLU 12 6.233 0.317 0.317
98 2HB GLU 12 1HB GLU 12 5.403 1.769 1.769
99 1HG GLU 12 1HG GLU 12 7.151 2.135 2.135
100 2HG GLU 12 2HG GLU 12 7.914 0.594 0.594
101 HE2 GLU 12 HE2 GLU 12 8.991 3.053 3.053
102 HA PRO 13 HA PRO 13 3.842 3.151 3.151
103 1HB PRO 13 1HB PRO 13 0.895 2.375 2.375
104 2HB PRO 13 2HB PRO 13 1.566 4.014 4.014
105 1HG PRO 13 1HG PRO 13 0.952 3.359 3.359
106 2HG PRO 13 2HG PRO 13 2.556 4.084 4.084
107 1HD PRO 13 1HD PRO 13 1.855 1.108 1.108
108 2HD PRO 13 2HD PRO 13 3.154 2.044 2.044
109 H PHE 14 H PHE 14 1.879 0.231 0.231
110 HA PHE 14 HA PHE 14 0.348 -0.530 -0.530
111 1HB PHE 14 1HB PHE 14 3.125 -0.483 -0.483
112 2HB PHE 14 2HB PHE 14 1.758 -1.048 -1.048
113 HD1 PHE 14 HD1 PHE 14 3.801 -1.795 -1.795
114 HD2 PHE 14 HD2 PHE 14 0.749 -3.231 -3.231
115 HE1 PHE 14 HE1 PHE 14 3.937 -4.025 -4.025
116 HE2 PHE 14 HE2 PHE 14 0.889 -5.450 -5.450
117 HZ PHE 14 HZ PHE 14 2.480 -5.857 -5.857
118 H ARG 15 H ARG 15 1.300 2.612 2.612
119 HA ARG 15 HA ARG 15 -0.891 2.777 2.777
120 1HB ARG 15 1HB ARG 15 1.060 4.927 4.927
121 2HB ARG 15 2HB ARG 15 0.058 5.082 5.082
122 1HG ARG 15 1HG ARG 15 2.485 3.187 3.187
123 2HG ARG 15 2HG ARG 15 2.449 4.730 4.730
124 1HD ARG 15 1HD ARG 15 2.414 3.193 3.193
125 2HD ARG 15 2HD ARG 15 0.755 3.803 3.803
126 HE ARG 15 HE ARG 15 0.604 1.485 1.485
127 1HH1 ARG 15 2HH2 ARG 15 1.676 1.971 1.971
128 2HH1 ARG 15 1HH2 ARG 15 1.218 0.264 0.264
129 1HH2 ARG 15 1HH1 ARG 15 0.118 -0.395 -0.395
130 2HH2 ARG 15 2HH1 ARG 15 0.380 -1.020 -1.020
131 H ASP 16 H ASP 16 -0.848 3.448 3.448
132 HA ASP 16 HA ASP 16 -3.601 4.560 4.560
133 1HB ASP 16 1HB ASP 16 -2.002 5.203 5.203
134 2HB ASP 16 2HB ASP 16 -2.085 3.523 3.523
135 HD1 ASP 16 HD2 ASP 16 -5.270 5.967 5.967
136 H TYR 17 H TYR 17 -2.263 1.715 1.715
137 HA TYR 17 HA TYR 17 -4.548 -0.017 -0.017
138 1HB TYR 17 1HB TYR 17 -2.752 -1.391 -1.391
139 2HB TYR 17 2HB TYR 17 -1.664 -0.750 -0.750
140 HD1 TYR 17 HD2 TYR 17 -4.676 -3.022 -3.022
141 HD2 TYR 17 HD1 TYR 17 -1.242 -1.862 -1.862
142 HE1 TYR 17 HE2 TYR 17 -5.242 -4.693 -4.693
143 HE2 TYR 17 HE1 TYR 17 -1.815 -3.533 -3.533
144 HH TYR 17 HH TYR 17 -4.868 -5.287 -5.287
145 H VAL 18 H VAL 18 -2.391 0.589 0.589
146 HA VAL 18 HA VAL 18 -4.174 -0.142 -0.142
147 HB VAL 18 HB VAL 18 -1.836 1.015 1.015
148 1HG1 VAL 18 2HG1 VAL 18 -2.710 3.287 3.287
149 2HG1 VAL 18 3HG1 VAL 18 -3.311 3.570 3.570
150 3HG1 VAL 18 1HG1 VAL 18 -1.548 3.300 3.300
151 1HG2 VAL 18 3HG2 VAL 18 -3.086 0.160 0.160
152 2HG2 VAL 18 1HG2 VAL 18 -2.158 1.657 1.657
153 3HG2 VAL 18 2HG2 VAL 18 -3.917 1.735 1.735
154 H ASP 19 H ASP 19 -4.532 2.878 2.878
155 HA ASP 19 HA ASP 19 -6.397 3.895 3.895
156 1HB ASP 19 2HB ASP 19 -4.752 5.193 5.193
157 2HB ASP 19 1HB ASP 19 -6.065 5.006 5.006
158 HD2 ASP 19 HD2 ASP 19 -7.859 7.607 7.607
159 H ARG 20 H ARG 20 -6.636 2.355 2.355
160 HA ARG 20 HA ARG 20 -9.462 2.399 2.399
161 1HB ARG 20 1HB ARG 20 -7.366 2.610 2.610
162 2HB ARG 20 2HB ARG 20 -6.821 1.069 1.069
163 1HG ARG 20 1HG ARG 20 -8.872 -0.050 -0.050
164 2HG ARG 20 2HG ARG 20 -9.434 1.525 1.525
165 1HD ARG 20 1HD ARG 20 -7.347 1.854 1.854
166 2HD ARG 20 2HD ARG 20 -6.653 0.360 0.360
167 HE ARG 20 HE ARG 20 -8.799 0.679 0.679
168 1HH1 ARG 20 2HH2 ARG 20 -7.447 -1.617 -1.617
169 2HH1 ARG 20 1HH2 ARG 20 -8.002 -3.047 -3.047
170 1HH2 ARG 20 1HH1 ARG 20 -9.422 -0.945 -0.945
171 2HH2 ARG 20 2HH1 ARG 20 -9.063 -2.651 -2.651
172 H PHE 21 H PHE 21 -7.076 -0.013 -0.013
173 HA PHE 21 HA PHE 21 -8.974 -2.055 -2.055
174 1HB PHE 21 1HB PHE 21 -6.324 -2.052 -2.052
175 2HB PHE 21 2HB PHE 21 -6.339 -1.293 -1.293
176 HD1 PHE 21 HD2 PHE 21 -7.518 -4.392 -4.392
177 HD2 PHE 21 HD1 PHE 21 -6.478 -2.679 -2.679
178 HE1 PHE 21 HE2 PHE 21 -7.520 -6.637 -6.637
179 HE2 PHE 21 HE1 PHE 21 -6.479 -4.927 -4.927
180 HZ PHE 21 HZ PHE 21 -6.994 -6.907 -6.907
181 H TYR 22 H TYR 22 -7.662 0.610 0.610
182 HA TYR 22 HA TYR 22 -9.494 0.161 0.161
183 1HB TYR 22 1HB TYR 22 -7.240 1.430 1.430
184 2HB TYR 22 2HB TYR 22 -7.997 2.766 2.766
185 HD1 TYR 22 HD1 TYR 22 -8.434 0.580 0.580
186 HD2 TYR 22 HD2 TYR 22 -9.001 4.483 4.483
187 HE1 TYR 22 HE1 TYR 22 -9.331 1.397 1.397
188 HE2 TYR 22 HE2 TYR 22 -9.867 5.296 5.296
189 HH TYR 22 HH TYR 22 -10.024 4.791 4.791
190 H LYS 23 H LYS 23 -10.047 2.375 2.375
191 HA LYS 23 HA LYS 23 -12.721 3.011 3.011
192 1HB LYS 23 2HB LYS 23 -11.412 4.477 4.477
193 2HB LYS 23 1HB LYS 23 -11.527 3.159 3.159
194 1HG LYS 23 1HG LYS 23 -13.007 4.992 4.992
195 2HG LYS 23 2HG LYS 23 -13.945 3.551 3.551
196 1HD LYS 23 1HD LYS 23 -13.646 5.729 5.729
197 2HD LYS 23 2HD LYS 23 -14.796 5.893 5.893
198 1HE LYS 23 1HE LYS 23 -15.881 3.654 3.654
199 2HE LYS 23 2HE LYS 23 -14.806 3.564 3.564
200 1HZ LYS 23 1HZ LYS 23 -15.741 5.753 5.753
201 2HZ LYS 23 2HZ LYS 23 -16.861 5.710 5.710
202 3HZ LYS 23 3HZ LYS 23 -16.839 4.530 4.530
203 H THR 24 H THR 24 -11.569 0.439 0.439
204 HA THR 24 HA THR 24 -14.097 -0.907 -0.907
205 HB THR 24 HB THR 24 -11.416 -2.187 -2.187
206 HG1 THR 24 HG1 THR 24 -11.311 -0.844 -0.844
207 1HG2 THR 24 2HG2 THR 24 -13.871 -3.347 -3.347
208 2HG2 THR 24 3HG2 THR 24 -12.253 -4.087 -4.087
209 3HG2 THR 24 1HG2 THR 24 -13.202 -3.965 -3.965
210 H LEU 25 H LEU 25 -11.780 -1.575 -1.575
211 HA LEU 25 HA LEU 25 -13.638 -2.802 -2.802
212 1HB LEU 25 1HB LEU 25 -11.123 -2.641 -2.641
213 2HB LEU 25 2HB LEU 25 -11.227 -0.927 -0.927
214 HG LEU 25 HG LEU 25 -10.710 -2.457 -2.457
215 1HD1 LEU 25 3HD2 LEU 25 -11.390 -0.084 -0.084
216 2HD1 LEU 25 1HD2 LEU 25 -13.092 -0.568 -0.568
217 3HD1 LEU 25 2HD2 LEU 25 -11.920 -1.134 -1.134
218 1HD2 LEU 25 3HD1 LEU 25 -12.402 -4.266 -4.266
219 2HD2 LEU 25 1HD1 LEU 25 -12.516 -3.611 -3.611
220 3HD2 LEU 25 2HD1 LEU 25 -13.717 -3.146 -3.146
221 H ARG 26 H ARG 26 -13.086 0.846 0.846
222 HA ARG 26 HA ARG 26 -15.511 1.172 1.172
223 1HB ARG 26 1HB ARG 26 -13.769 3.232 3.232
224 2HB ARG 26 2HB ARG 26 -15.075 3.704 3.704
225 1HG ARG 26 2HG ARG 26 -12.521 2.250 2.250
226 2HG ARG 26 1HG ARG 26 -12.827 3.969 3.969
227 1HD ARG 26 1HD ARG 26 -14.732 3.565 3.565
228 2HD ARG 26 2HD ARG 26 -14.572 1.814 1.814
229 HE ARG 26 HE ARG 26 -11.991 3.036 3.036
230 1HH1 ARG 26 2HH2 ARG 26 -15.014 1.804 1.804
231 2HH1 ARG 26 1HH2 ARG 26 -14.256 1.317 1.317
232 1HH2 ARG 26 1HH1 ARG 26 -11.200 2.600 2.600
233 2HH2 ARG 26 2HH1 ARG 26 -12.183 1.823 1.823
234 H ALA 27 H ALA 27 -15.602 0.029 0.029
235 HA ALA 27 HA ALA 27 -18.416 0.999 0.999
236 1HB ALA 27 2HB ALA 27 -17.149 1.339 1.339
237 2HB ALA 27 3HB ALA 27 -16.706 -0.383 -0.383
238 3HB ALA 27 1HB ALA 27 -18.405 0.104 0.104
239 H GLU 28 H GLU 28 -16.424 -2.026 -2.026
240 HA GLU 28 HA GLU 28 -18.633 -3.817 -3.817
241 1HB GLU 28 1HB GLU 28 -15.758 -3.763 -3.763
242 2HB GLU 28 2HB GLU 28 -16.859 -5.112 -5.112
243 1HG GLU 28 2HG GLU 28 -16.963 -5.455 -5.455
244 2HG GLU 28 1HG GLU 28 -15.847 -4.133 -4.133
245 HE1 GLU 28 HE2 GLU 28 -13.067 -5.859 -5.859
246 H GLN 29 H GLN 29 -16.840 -1.707 -1.707
247 HA GLN 29 HA GLN 29 -18.458 -2.211 -2.211
248 1HB GLN 29 1HB GLN 29 -16.946 0.322 0.322
249 2HB GLN 29 2HB GLN 29 -17.668 0.181 0.181
250 1HG GLN 29 1HG GLN 29 -15.451 -1.748 -1.748
251 2HG GLN 29 2HG GLN 29 -15.124 -0.239 -0.239
252 1HE2 GLN 29 2HE2 GLN 29 -16.289 -3.277 -3.277
253 2HE2 GLN 29 1HE2 GLN 29 -16.441 -3.434 -3.434
254 H ALA 30 H ALA 30 -18.887 0.222 0.222
255 HA ALA 30 HA ALA 30 -21.267 1.442 1.442
256 1HB ALA 30 2HB ALA 30 -19.712 2.505 2.505
257 2HB ALA 30 3HB ALA 30 -20.407 1.384 1.384
258 3HB ALA 30 1HB ALA 30 -21.429 2.598 2.598
259 H SER 31 H SER 31 -20.948 -1.410 -1.410
260 HA SER 31 HA SER 31 -23.631 -1.376 -1.376
261 1HB SER 31 1HB SER 31 -21.556 -3.658 -3.658
262 2HB SER 31 2HB SER 31 -22.969 -3.746 -3.746
263 HG SER 31 HG SER 31 -20.775 -1.926 -1.926
264 HXT SER 31 HO OH 32 -24.217 -0.895 -0.895
Start of MODEL 7
1 1H CYS 1 2H CYS 1 14.884 -9.750 -9.750
2 2H CYS 1 3H CYS 1 15.365 -8.265 -8.265
3 3H CYS 1 1H CYS 1 16.447 -9.519 -9.519
4 HA CYS 1 HA CYS 1 15.804 -9.233 -9.233
5 1HB CYS 1 1HB CYS 1 13.680 -7.987 -7.987
6 2HB CYS 1 2HB CYS 1 12.928 -9.499 -9.499
7 HG CYS 1 HG CYS 1 11.977 -8.876 -8.876
8 H SER 2 H SER 2 15.988 -11.090 -11.090
9 HA SER 2 HA SER 2 15.481 -13.806 -13.806
10 1HB SER 2 2HB SER 2 17.509 -14.609 -14.609
11 2HB SER 2 1HB SER 2 17.942 -13.103 -13.103
12 HG SER 2 HG SER 2 17.527 -12.146 -12.146
13 H ILE 3 H ILE 3 15.783 -15.465 -15.465
14 HA ILE 3 HA ILE 3 13.333 -15.242 -15.242
15 HB ILE 3 HB ILE 3 13.991 -17.383 -17.383
16 1HG1 ILE 3 2HG1 ILE 3 13.566 -18.939 -18.939
17 2HG1 ILE 3 1HG1 ILE 3 13.703 -17.580 -17.580
18 1HG2 ILE 3 2HG2 ILE 3 16.492 -17.303 -17.303
19 2HG2 ILE 3 3HG2 ILE 3 16.158 -17.621 -17.621
20 3HG2 ILE 3 1HG2 ILE 3 15.742 -18.840 -18.840
21 1HD1 ILE 3 1HD1 ILE 3 11.592 -17.808 -17.808
22 2HD1 ILE 3 2HD1 ILE 3 11.308 -18.191 -18.191
23 3HD1 ILE 3 3HD1 ILE 3 11.650 -16.519 -16.519
24 H LEU 4 H LEU 4 16.805 -14.881 -14.881
25 HA LEU 4 HA LEU 4 16.337 -14.550 -14.550
26 1HB LEU 4 1HB LEU 4 18.890 -14.327 -14.327
27 2HB LEU 4 2HB LEU 4 18.879 -14.203 -14.203
28 HG LEU 4 HG LEU 4 18.066 -16.752 -16.752
29 1HD1 LEU 4 2HD2 LEU 4 20.488 -16.206 -16.206
30 2HD1 LEU 4 3HD2 LEU 4 20.708 -16.068 -16.068
31 3HD1 LEU 4 1HD2 LEU 4 20.290 -17.637 -17.637
32 1HD2 LEU 4 1HD1 LEU 4 18.568 -16.294 -16.294
33 2HD2 LEU 4 2HD1 LEU 4 16.998 -16.665 -16.665
34 3HD2 LEU 4 3HD1 LEU 4 18.290 -17.875 -17.875
35 H ASP 5 H ASP 5 15.050 -12.742 -12.742
36 HA ASP 5 HA ASP 5 16.196 -10.016 -10.016
37 1HB ASP 5 1HB ASP 5 14.650 -10.694 -10.694
38 2HB ASP 5 2HB ASP 5 14.904 -9.057 -9.057
39 HD1 ASP 5 HD2 ASP 5 18.369 -9.074 -9.074
40 H ILE 6 H ILE 6 13.354 -12.049 -12.049
41 HA ILE 6 HA ILE 6 11.414 -9.785 -9.785
42 HB ILE 6 HB ILE 6 10.927 -12.800 -12.800
43 1HG1 ILE 6 1HG1 ILE 6 10.594 -10.910 -10.910
44 2HG1 ILE 6 2HG1 ILE 6 11.838 -12.124 -12.124
45 1HG2 ILE 6 1HG2 ILE 6 9.138 -11.296 -11.296
46 2HG2 ILE 6 2HG2 ILE 6 8.981 -10.411 -10.411
47 3HG2 ILE 6 3HG2 ILE 6 8.511 -12.127 -12.127
48 1HD1 ILE 6 1HD1 ILE 6 10.093 -13.959 -13.959
49 2HD1 ILE 6 2HD1 ILE 6 8.846 -12.724 -12.724
50 3HD1 ILE 6 3HD1 ILE 6 10.134 -13.043 -13.043
51 H ARG 7 H ARG 7 12.692 -9.089 -9.089
52 HA ARG 7 HA ARG 7 11.957 -10.002 -10.002
53 1HB ARG 7 2HB ARG 7 13.570 -7.583 -7.583
54 2HB ARG 7 1HB ARG 7 13.366 -7.914 -7.914
55 1HG ARG 7 1HG ARG 7 14.509 -10.085 -10.085
56 2HG ARG 7 2HG ARG 7 14.581 -10.035 -10.035
57 1HD ARG 7 1HD ARG 7 16.078 -7.911 -7.911
58 2HD ARG 7 2HD ARG 7 16.019 -8.068 -8.068
59 HE ARG 7 HE ARG 7 17.569 -9.916 -9.916
60 1HH1 ARG 7 2HH2 ARG 7 16.413 -9.346 -9.346
61 2HH1 ARG 7 1HH2 ARG 7 17.556 -10.601 -10.601
62 1HH2 ARG 7 1HH1 ARG 7 18.939 -11.250 -11.250
63 2HH2 ARG 7 2HH1 ARG 7 18.944 -11.517 -11.517
64 H GLN 8 H GLN 8 9.674 -9.069 -9.069
65 HA GLN 8 HA GLN 8 8.751 -6.563 -6.563
66 1HB GLN 8 1HB GLN 8 7.493 -8.885 -8.885
67 2HB GLN 8 2HB GLN 8 6.643 -7.381 -7.381
68 1HG GLN 8 2HG GLN 8 8.447 -6.035 -6.035
69 2HG GLN 8 1HG GLN 8 9.436 -7.436 -7.436
70 1HE2 GLN 8 2HE2 GLN 8 6.341 -6.957 -6.957
71 2HE2 GLN 8 1HE2 GLN 8 6.263 -6.120 -6.120
72 H GLY 9 H GLY 9 9.045 -7.456 -7.456
73 1HA GLY 9 1HA GLY 9 6.382 -8.191 -8.191
74 2HA GLY 9 2HA GLY 9 7.823 -7.730 -7.730
75 HA PRO 10 HA PRO 10 4.794 -4.004 -4.004
76 1HB PRO 10 1HB PRO 10 3.292 -3.896 -3.896
77 2HB PRO 10 2HB PRO 10 2.850 -4.684 -4.684
78 1HG PRO 10 1HG PRO 10 4.126 -5.933 -5.933
79 2HG PRO 10 2HG PRO 10 2.759 -6.574 -6.574
80 1HD PRO 10 1HD PRO 10 5.338 -7.526 -7.526
81 2HD PRO 10 2HD PRO 10 4.223 -7.428 -7.428
82 H LYS 11 H LYS 11 5.369 -2.138 -2.138
83 HA LYS 11 HA LYS 11 7.358 -1.384 -1.384
84 1HB LYS 11 1HB LYS 11 7.849 -1.259 -1.259
85 2HB LYS 11 2HB LYS 11 8.852 -0.405 -0.405
86 1HG LYS 11 1HG LYS 11 9.746 -2.429 -2.429
87 2HG LYS 11 2HG LYS 11 8.470 -3.432 -3.432
88 1HD LYS 11 1HD LYS 11 9.312 -2.846 -2.846
89 2HD LYS 11 2HD LYS 11 10.741 -2.131 -2.131
90 1HE LYS 11 1HE LYS 11 11.272 -4.415 -4.415
91 2HE LYS 11 2HE LYS 11 9.783 -5.071 -5.071
92 1HZ LYS 11 1HZ LYS 11 10.845 -4.171 -4.171
93 2HZ LYS 11 2HZ LYS 11 12.273 -4.348 -4.348
94 3HZ LYS 11 3HZ LYS 11 11.274 -5.649 -5.649
95 H GLU 12 H GLU 12 6.188 0.246 0.246
96 HA GLU 12 HA GLU 12 5.524 2.754 2.754
97 1HB GLU 12 2HB GLU 12 6.511 2.683 2.683
98 2HB GLU 12 1HB GLU 12 5.030 1.977 1.977
99 1HG GLU 12 1HG GLU 12 3.758 4.080 4.080
100 2HG GLU 12 2HG GLU 12 5.251 4.766 4.766
101 HE1 GLU 12 HE2 GLU 12 6.476 5.617 5.617
102 HA PRO 13 HA PRO 13 0.819 1.724 1.724
103 1HB PRO 13 1HB PRO 13 0.925 -1.318 -1.318
104 2HB PRO 13 2HB PRO 13 -0.185 -0.402 -0.402
105 1HG PRO 13 1HG PRO 13 1.903 -1.649 -1.649
106 2HG PRO 13 2HG PRO 13 1.618 0.053 0.053
107 1HD PRO 13 1HD PRO 13 3.596 -1.035 -1.035
108 2HD PRO 13 2HD PRO 13 3.918 0.123 0.123
109 H PHE 14 H PHE 14 2.469 -0.052 -0.052
110 HA PHE 14 HA PHE 14 0.171 -0.984 -0.984
111 1HB PHE 14 1HB PHE 14 1.664 -1.828 -1.828
112 2HB PHE 14 2HB PHE 14 2.648 -1.755 -1.755
113 HD1 PHE 14 HD2 PHE 14 3.941 0.888 0.888
114 HD2 PHE 14 HD1 PHE 14 2.909 -1.484 -1.484
115 HE1 PHE 14 HE2 PHE 14 5.698 1.990 1.990
116 HE2 PHE 14 HE1 PHE 14 4.669 -0.354 -0.354
117 HZ PHE 14 HZ PHE 14 6.064 1.386 1.386
118 H ARG 15 H ARG 15 1.055 2.317 2.317
119 HA ARG 15 HA ARG 15 -0.776 2.642 2.642
120 1HB ARG 15 1HB ARG 15 1.336 4.625 4.625
121 2HB ARG 15 2HB ARG 15 0.366 4.896 4.896
122 1HG ARG 15 1HG ARG 15 2.636 2.812 2.812
123 2HG ARG 15 2HG ARG 15 2.740 4.375 4.375
124 1HD ARG 15 1HD ARG 15 2.611 2.886 2.886
125 2HD ARG 15 2HD ARG 15 1.002 3.626 3.626
126 HE ARG 15 HE ARG 15 0.669 1.288 1.288
127 1HH1 ARG 15 2HH2 ARG 15 1.771 1.765 1.765
128 2HH1 ARG 15 1HH2 ARG 15 1.298 0.061 0.061
129 1HH2 ARG 15 1HH1 ARG 15 0.141 -0.560 -0.560
130 2HH2 ARG 15 2HH1 ARG 15 0.377 -1.194 -1.194
131 H ASP 16 H ASP 16 -0.826 3.178 3.178
132 HA ASP 16 HA ASP 16 -3.428 4.584 4.584
133 1HB ASP 16 1HB ASP 16 -2.052 4.963 4.963
134 2HB ASP 16 2HB ASP 16 -2.124 3.241 3.241
135 HD1 ASP 16 HD2 ASP 16 -3.879 6.097 6.097
136 H TYR 17 H TYR 17 -2.185 1.510 1.510
137 HA TYR 17 HA TYR 17 -4.684 0.008 0.008
138 1HB TYR 17 1HB TYR 17 -3.001 -1.433 -1.433
139 2HB TYR 17 2HB TYR 17 -1.817 -0.828 -0.828
140 HD1 TYR 17 HD2 TYR 17 -4.941 -2.953 -2.953
141 HD2 TYR 17 HD1 TYR 17 -1.246 -2.044 -2.044
142 HE1 TYR 17 HE2 TYR 17 -5.396 -4.701 -4.701
143 HE2 TYR 17 HE1 TYR 17 -1.718 -3.787 -3.787
144 HH TYR 17 HH TYR 17 -4.796 -5.546 -5.546
145 H VAL 18 H VAL 18 -2.423 0.503 0.503
146 HA VAL 18 HA VAL 18 -4.185 -0.081 -0.081
147 HB VAL 18 HB VAL 18 -1.795 0.977 0.977
148 1HG1 VAL 18 2HG1 VAL 18 -2.602 3.204 3.204
149 2HG1 VAL 18 3HG1 VAL 18 -3.112 3.651 3.651
150 3HG1 VAL 18 1HG1 VAL 18 -1.381 3.268 3.268
151 1HG2 VAL 18 3HG2 VAL 18 -2.993 0.330 0.330
152 2HG2 VAL 18 1HG2 VAL 18 -1.961 1.786 1.786
153 3HG2 VAL 18 2HG2 VAL 18 -3.725 1.956 1.956
154 H ASP 19 H ASP 19 -4.462 2.957 2.957
155 HA ASP 19 HA ASP 19 -6.268 4.019 4.019
156 1HB ASP 19 2HB ASP 19 -4.669 5.267 5.267
157 2HB ASP 19 1HB ASP 19 -6.026 5.060 5.060
158 HD2 ASP 19 HD2 ASP 19 -7.665 7.779 7.779
159 H ARG 20 H ARG 20 -6.653 2.486 2.486
160 HA ARG 20 HA ARG 20 -9.500 2.573 2.573
161 1HB ARG 20 1HB ARG 20 -7.410 2.839 2.839
162 2HB ARG 20 2HB ARG 20 -6.880 1.260 1.260
163 1HG ARG 20 1HG ARG 20 -8.802 0.185 0.185
164 2HG ARG 20 2HG ARG 20 -9.437 1.788 1.788
165 1HD ARG 20 1HD ARG 20 -7.237 2.375 2.375
166 2HD ARG 20 2HD ARG 20 -6.582 0.784 0.784
167 HE ARG 20 HE ARG 20 -8.993 0.220 0.220
168 1HH1 ARG 20 2HH2 ARG 20 -5.995 1.927 1.927
169 2HH1 ARG 20 1HH2 ARG 20 -6.099 1.476 1.476
170 1HH2 ARG 20 1HH1 ARG 20 -9.049 -0.229 -0.229
171 2HH2 ARG 20 2HH1 ARG 20 -7.736 0.326 0.326
172 H PHE 21 H PHE 21 -7.105 0.136 0.136
173 HA PHE 21 HA PHE 21 -9.013 -1.892 -1.892
174 1HB PHE 21 1HB PHE 21 -6.347 -1.903 -1.903
175 2HB PHE 21 2HB PHE 21 -6.391 -1.211 -1.211
176 HD1 PHE 21 HD2 PHE 21 -7.677 -4.166 -4.166
177 HD2 PHE 21 HD1 PHE 21 -6.527 -2.726 -2.726
178 HE1 PHE 21 HE2 PHE 21 -7.793 -6.459 -6.459
179 HE2 PHE 21 HE1 PHE 21 -6.645 -5.025 -5.025
180 HZ PHE 21 HZ PHE 21 -7.273 -6.892 -6.892
181 H TYR 22 H TYR 22 -7.683 0.783 0.783
182 HA TYR 22 HA TYR 22 -9.482 0.394 0.394
183 1HB TYR 22 1HB TYR 22 -7.272 1.817 1.817
184 2HB TYR 22 2HB TYR 22 -8.200 3.067 3.067
185 HD1 TYR 22 HD2 TYR 22 -7.863 1.055 1.055
186 HD2 TYR 22 HD1 TYR 22 -9.499 4.625 4.625
187 HE1 TYR 22 HE2 TYR 22 -8.431 1.890 1.890
188 HE2 TYR 22 HE1 TYR 22 -10.044 5.468 5.468
189 HH TYR 22 HH TYR 22 -8.921 3.846 3.846
190 H LYS 23 H LYS 23 -10.170 2.488 2.488
191 HA LYS 23 HA LYS 23 -12.890 2.978 2.978
192 1HB LYS 23 2HB LYS 23 -11.756 4.577 4.577
193 2HB LYS 23 1HB LYS 23 -11.630 3.249 3.249
194 1HG LYS 23 1HG LYS 23 -13.349 4.894 4.894
195 2HG LYS 23 2HG LYS 23 -14.106 3.358 3.358
196 1HD LYS 23 1HD LYS 23 -14.290 4.589 4.589
197 2HD LYS 23 2HD LYS 23 -14.188 5.994 5.994
198 1HE LYS 23 1HE LYS 23 -16.506 5.596 5.596
199 2HE LYS 23 2HE LYS 23 -16.137 5.036 5.036
200 1HZ LYS 23 1HZ LYS 23 -15.795 2.699 2.699
201 2HZ LYS 23 2HZ LYS 23 -16.674 3.319 3.319
202 3HZ LYS 23 3HZ LYS 23 -17.355 3.179 3.179
203 H THR 24 H THR 24 -11.600 0.498 0.498
204 HA THR 24 HA THR 24 -14.058 -0.969 -0.969
205 HB THR 24 HB THR 24 -11.350 -2.177 -2.177
206 HG1 THR 24 HG1 THR 24 -11.259 -0.740 -0.740
207 1HG2 THR 24 1HG2 THR 24 -13.787 -3.274 -3.274
208 2HG2 THR 24 2HG2 THR 24 -12.172 -4.021 -4.021
209 3HG2 THR 24 3HG2 THR 24 -13.140 -3.969 -3.969
210 H LEU 25 H LEU 25 -11.697 -1.509 -1.509
211 HA LEU 25 HA LEU 25 -13.473 -2.898 -2.898
212 1HB LEU 25 1HB LEU 25 -11.016 -2.621 -2.621
213 2HB LEU 25 2HB LEU 25 -11.205 -0.884 -0.884
214 HG LEU 25 HG LEU 25 -12.514 -1.171 -1.171
215 1HD1 LEU 25 2HD2 LEU 25 -12.025 -4.200 -4.200
216 2HD1 LEU 25 3HD2 LEU 25 -12.595 -3.448 -3.448
217 3HD1 LEU 25 1HD2 LEU 25 -13.591 -3.366 -3.366
218 1HD2 LEU 25 3HD1 LEU 25 -10.068 -0.842 -0.842
219 2HD2 LEU 25 1HD1 LEU 25 -10.611 -1.857 -1.857
220 3HD2 LEU 25 2HD1 LEU 25 -9.798 -2.606 -2.606
221 H ARG 26 H ARG 26 -13.157 0.778 0.778
222 HA ARG 26 HA ARG 26 -15.697 0.907 0.907
223 1HB ARG 26 1HB ARG 26 -13.954 3.097 3.097
224 2HB ARG 26 2HB ARG 26 -15.449 3.443 3.443
225 1HG ARG 26 1HG ARG 26 -14.508 2.308 2.308
226 2HG ARG 26 2HG ARG 26 -12.955 2.140 2.140
227 1HD ARG 26 1HD ARG 26 -12.901 4.673 4.673
228 2HD ARG 26 2HD ARG 26 -14.397 4.845 4.845
229 HE ARG 26 HE ARG 26 -11.670 3.995 3.995
230 1HH1 ARG 26 2HH2 ARG 26 -15.026 4.132 4.132
231 2HH1 ARG 26 1HH2 ARG 26 -14.670 4.318 4.318
232 1HH2 ARG 26 1HH1 ARG 26 -11.280 4.345 4.345
233 2HH2 ARG 26 2HH1 ARG 26 -12.611 4.446 4.446
234 H ALA 27 H ALA 27 -15.573 -0.328 -0.328
235 HA ALA 27 HA ALA 27 -18.451 0.345 0.345
236 1HB ALA 27 2HB ALA 27 -17.359 0.531 0.531
237 2HB ALA 27 3HB ALA 27 -16.737 -1.128 -1.128
238 3HB ALA 27 1HB ALA 27 -18.485 -0.837 -0.837
239 H GLU 28 H GLU 28 -16.097 -2.372 -2.372
240 HA GLU 28 HA GLU 28 -18.173 -4.325 -4.325
241 1HB GLU 28 1HB GLU 28 -15.373 -3.978 -3.978
242 2HB GLU 28 2HB GLU 28 -16.376 -5.402 -5.402
243 1HG GLU 28 2HG GLU 28 -16.250 -5.865 -5.865
244 2HG GLU 28 1HG GLU 28 -15.275 -4.436 -4.436
245 HE2 GLU 28 HE2 GLU 28 -13.608 -7.745 -7.745
246 H GLN 29 H GLN 29 -16.483 -2.006 -2.006
247 HA GLN 29 HA GLN 29 -18.331 -2.196 -2.196
248 1HB GLN 29 1HB GLN 29 -16.662 0.233 0.233
249 2HB GLN 29 2HB GLN 29 -17.466 0.121 0.121
250 1HG GLN 29 2HG GLN 29 -15.983 -1.870 -1.870
251 2HG GLN 29 1HG GLN 29 -15.153 -1.678 -1.678
252 1HE2 GLN 29 1HE2 GLN 29 -12.996 0.036 0.036
253 2HE2 GLN 29 2HE2 GLN 29 -13.523 -1.663 -1.663
254 H ALA 30 H ALA 30 -18.310 -0.085 -0.085
255 HA ALA 30 HA ALA 30 -19.855 1.406 1.406
256 1HB ALA 30 2HB ALA 30 -21.235 -0.728 -0.728
257 2HB ALA 30 3HB ALA 30 -21.988 -0.295 -0.295
258 3HB ALA 30 1HB ALA 30 -22.258 0.719 0.719
259 H SER 31 H SER 31 -21.136 1.080 1.080
260 HA SER 31 HA SER 31 -20.498 3.868 3.868
261 1HB SER 31 1HB SER 31 -23.497 3.367 3.367
262 2HB SER 31 2HB SER 31 -22.919 4.739 4.739
263 HG SER 31 HG SER 31 -21.627 4.257 4.257
264 HXT SER 31 HO OH 32 -22.685 1.523 1.523
Start of MODEL 8
1 1H CYS 1 2H CYS 1 17.825 3.429 3.429
2 2H CYS 1 3H CYS 1 19.010 2.261 2.261
3 3H CYS 1 1H CYS 1 18.071 2.682 2.682
4 HA CYS 1 HA CYS 1 20.179 3.815 3.815
5 1HB CYS 1 1HB CYS 1 20.904 3.531 3.531
6 2HB CYS 1 2HB CYS 1 19.782 4.798 4.798
7 HG CYS 1 HG CYS 1 22.409 4.944 4.944
8 H SER 2 H SER 2 18.776 6.521 6.521
9 HA SER 2 HA SER 2 16.698 7.261 7.261
10 1HB SER 2 1HB SER 2 18.532 7.410 7.410
11 2HB SER 2 2HB SER 2 19.453 8.507 8.507
12 HG SER 2 HG SER 2 17.008 8.947 8.947
13 H ILE 3 H ILE 3 18.815 9.883 9.883
14 HA ILE 3 HA ILE 3 18.227 11.873 11.873
15 HB ILE 3 HB ILE 3 20.001 10.388 10.388
16 1HG1 ILE 3 2HG1 ILE 3 20.106 11.855 11.855
17 2HG1 ILE 3 1HG1 ILE 3 18.566 12.580 12.580
18 1HG2 ILE 3 2HG2 ILE 3 18.263 8.834 8.834
19 2HG2 ILE 3 3HG2 ILE 3 17.757 10.182 10.182
20 3HG2 ILE 3 1HG2 ILE 3 19.414 9.526 9.526
21 1HD1 ILE 3 2HD1 ILE 3 21.129 12.694 12.694
22 2HD1 ILE 3 3HD1 ILE 3 20.537 13.991 13.991
23 3HD1 ILE 3 1HD1 ILE 3 19.598 13.534 13.534
24 H LEU 4 H LEU 4 15.932 10.763 10.763
25 HA LEU 4 HA LEU 4 13.538 10.612 10.612
26 1HB LEU 4 1HB LEU 4 14.181 13.274 13.274
27 2HB LEU 4 2HB LEU 4 12.546 12.770 12.770
28 HG LEU 4 HG LEU 4 14.647 13.098 13.098
29 1HD1 LEU 4 3HD2 LEU 4 14.308 15.297 15.297
30 2HD1 LEU 4 1HD2 LEU 4 12.545 15.161 15.161
31 3HD1 LEU 4 2HD2 LEU 4 13.586 15.348 15.348
32 1HD2 LEU 4 1HD1 LEU 4 11.547 12.954 12.954
33 2HD2 LEU 4 2HD1 LEU 4 12.675 11.699 11.699
34 3HD2 LEU 4 3HD1 LEU 4 12.616 13.264 13.264
35 H ASP 5 H ASP 5 14.938 9.070 9.070
36 HA ASP 5 HA ASP 5 13.087 8.694 8.694
37 1HB ASP 5 1HB ASP 5 15.079 10.466 10.466
38 2HB ASP 5 2HB ASP 5 16.120 9.073 9.073
39 HD2 ASP 5 HD2 ASP 5 15.373 9.708 9.708
40 H ILE 6 H ILE 6 16.223 7.605 7.605
41 HA ILE 6 HA ILE 6 15.908 4.968 4.968
42 HB ILE 6 HB ILE 6 18.323 5.926 5.926
43 1HG1 ILE 6 2HG1 ILE 6 17.663 6.119 6.119
44 2HG1 ILE 6 1HG1 ILE 6 17.834 7.454 7.454
45 1HG2 ILE 6 1HG2 ILE 6 18.141 3.368 3.368
46 2HG2 ILE 6 2HG2 ILE 6 17.955 3.651 3.651
47 3HG2 ILE 6 3HG2 ILE 6 19.483 4.052 4.052
48 1HD1 ILE 6 3HD1 ILE 6 20.279 6.915 6.915
49 2HD1 ILE 6 1HD1 ILE 6 20.149 5.641 5.641
50 3HD1 ILE 6 2HD1 ILE 6 19.865 7.342 7.342
51 H ARG 7 H ARG 7 14.136 4.711 4.711
52 HA ARG 7 HA ARG 7 14.239 3.746 3.746
53 1HB ARG 7 1HB ARG 7 12.288 4.734 4.734
54 2HB ARG 7 2HB ARG 7 12.027 3.157 3.157
55 1HG ARG 7 1HG ARG 7 12.016 3.417 3.417
56 2HG ARG 7 2HG ARG 7 10.771 4.239 4.239
57 1HD ARG 7 1HD ARG 7 9.686 2.291 2.291
58 2HD ARG 7 2HD ARG 7 10.214 1.977 1.977
59 HE ARG 7 HE ARG 7 12.352 0.886 0.886
60 1HH1 ARG 7 2HH2 ARG 7 8.909 0.324 0.324
61 2HH1 ARG 7 1HH2 ARG 7 9.134 -1.233 -1.233
62 1HH2 ARG 7 1HH1 ARG 7 12.546 -1.003 -1.003
63 2HH2 ARG 7 2HH1 ARG 7 11.129 -1.950 -1.950
64 H GLN 8 H GLN 8 14.712 1.852 1.852
65 HA GLN 8 HA GLN 8 15.019 -0.500 -0.500
66 1HB GLN 8 1HB GLN 8 16.132 -0.271 -0.271
67 2HB GLN 8 2HB GLN 8 16.289 -1.717 -1.717
68 1HG GLN 8 1HG GLN 8 17.576 -0.497 -0.497
69 2HG GLN 8 2HG GLN 8 17.328 1.028 1.028
70 1HE2 GLN 8 2HE2 GLN 8 20.275 -1.386 -1.386
71 2HE2 GLN 8 1HE2 GLN 8 18.954 -2.077 -2.077
72 H GLY 9 H GLY 9 12.794 -0.700 -0.700
73 1HA GLY 9 1HA GLY 9 11.203 -2.783 -2.783
74 2HA GLY 9 2HA GLY 9 11.247 -2.237 -2.237
75 HA PRO 10 HA PRO 10 7.682 -0.280 -0.280
76 1HB PRO 10 1HB PRO 10 6.025 -1.039 -1.039
77 2HB PRO 10 2HB PRO 10 5.627 -1.230 -1.230
78 1HG PRO 10 1HG PRO 10 6.398 -3.419 -3.419
79 2HG PRO 10 2HG PRO 10 6.955 -3.218 -3.218
80 1HD PRO 10 1HD PRO 10 8.523 -2.659 -2.659
81 2HD PRO 10 2HD PRO 10 9.058 -3.451 -3.451
82 H LYS 11 H LYS 11 6.782 1.633 1.633
83 HA LYS 11 HA LYS 11 6.942 3.382 3.382
84 1HB LYS 11 1HB LYS 11 8.109 5.197 5.197
85 2HB LYS 11 2HB LYS 11 9.097 3.762 3.762
86 1HG LYS 11 1HG LYS 11 8.915 3.404 3.404
87 2HG LYS 11 2HG LYS 11 7.854 4.812 4.812
88 1HD LYS 11 1HD LYS 11 9.615 6.286 6.286
89 2HD LYS 11 2HD LYS 11 10.702 4.902 4.902
90 1HE LYS 11 1HE LYS 11 10.701 4.594 4.594
91 2HE LYS 11 2HE LYS 11 9.564 5.937 5.937
92 1HZ LYS 11 1HZ LYS 11 12.295 6.256 6.256
93 2HZ LYS 11 2HZ LYS 11 11.994 6.666 6.666
94 3HZ LYS 11 3HZ LYS 11 11.249 7.465 7.465
95 H GLU 12 H GLU 12 6.115 3.661 3.661
96 HA GLU 12 HA GLU 12 3.762 5.437 5.437
97 1HB GLU 12 2HB GLU 12 5.005 4.477 4.477
98 2HB GLU 12 1HB GLU 12 3.556 5.450 5.450
99 1HG GLU 12 1HG GLU 12 4.685 7.358 7.358
100 2HG GLU 12 2HG GLU 12 6.131 6.431 6.431
101 HE1 GLU 12 HE2 GLU 12 5.491 7.831 7.831
102 HA PRO 13 HA PRO 13 1.000 1.863 1.863
103 1HB PRO 13 1HB PRO 13 2.574 -0.567 -0.567
104 2HB PRO 13 2HB PRO 13 1.573 -0.425 -0.425
105 1HG PRO 13 1HG PRO 13 4.264 -0.303 -0.303
106 2HG PRO 13 2HG PRO 13 3.276 0.918 0.918
107 1HD PRO 13 1HD PRO 13 4.715 1.203 1.203
108 2HD PRO 13 2HD PRO 13 4.808 2.300 2.300
109 H PHE 14 H PHE 14 2.769 0.844 0.844
110 HA PHE 14 HA PHE 14 0.431 -0.504 -0.504
111 1HB PHE 14 1HB PHE 14 1.828 -1.245 -1.245
112 2HB PHE 14 2HB PHE 14 2.839 -1.197 -1.197
113 HD1 PHE 14 HD2 PHE 14 3.392 2.115 2.115
114 HD2 PHE 14 HD1 PHE 14 3.824 -1.618 -1.618
115 HE1 PHE 14 HE2 PHE 14 5.144 3.092 3.092
116 HE2 PHE 14 HE1 PHE 14 5.599 -0.621 -0.621
117 HZ PHE 14 HZ PHE 14 6.262 1.736 1.736
118 H ARG 15 H ARG 15 0.981 2.820 2.820
119 HA ARG 15 HA ARG 15 -0.922 3.020 3.020
120 1HB ARG 15 1HB ARG 15 1.236 4.918 4.918
121 2HB ARG 15 2HB ARG 15 -0.220 5.688 5.688
122 1HG ARG 15 1HG ARG 15 1.302 5.844 5.844
123 2HG ARG 15 2HG ARG 15 0.003 4.839 4.839
124 1HD ARG 15 1HD ARG 15 2.784 3.812 3.812
125 2HD ARG 15 2HD ARG 15 2.339 4.202 4.202
126 HE ARG 15 HE ARG 15 0.701 2.077 2.077
127 1HH1 ARG 15 2HH2 ARG 15 3.057 2.645 2.645
128 2HH1 ARG 15 1HH2 ARG 15 2.856 0.943 0.943
129 1HH2 ARG 15 1HH1 ARG 15 0.505 0.237 0.237
130 2HH2 ARG 15 2HH1 ARG 15 1.453 -0.357 -0.357
131 H ASP 16 H ASP 16 -0.866 3.455 3.455
132 HA ASP 16 HA ASP 16 -3.738 4.242 4.242
133 1HB ASP 16 1HB ASP 16 -1.791 3.416 3.416
134 2HB ASP 16 2HB ASP 16 -3.500 3.675 3.675
135 HD1 ASP 16 HD2 ASP 16 -3.396 7.122 7.122
136 H TYR 17 H TYR 17 -2.331 1.649 1.649
137 HA TYR 17 HA TYR 17 -4.477 -0.259 -0.259
138 1HB TYR 17 1HB TYR 17 -2.757 -1.716 -1.716
139 2HB TYR 17 2HB TYR 17 -1.570 -0.874 -0.874
140 HD1 TYR 17 HD2 TYR 17 -4.514 -3.195 -3.195
141 HD2 TYR 17 HD1 TYR 17 -0.823 -1.710 -1.710
142 HE1 TYR 17 HE2 TYR 17 -4.717 -4.735 -4.735
143 HE2 TYR 17 HE1 TYR 17 -1.045 -3.231 -3.231
144 HH TYR 17 HH TYR 17 -2.287 -4.837 -4.837
145 H VAL 18 H VAL 18 -2.361 0.710 0.710
146 HA VAL 18 HA VAL 18 -4.161 -0.073 -0.073
147 HB VAL 18 HB VAL 18 -1.804 1.062 1.062
148 1HG1 VAL 18 2HG1 VAL 18 -2.684 3.367 3.367
149 2HG1 VAL 18 3HG1 VAL 18 -3.231 3.619 3.619
150 3HG1 VAL 18 1HG1 VAL 18 -1.481 3.302 3.302
151 1HG2 VAL 18 3HG2 VAL 18 -3.066 0.206 0.206
152 2HG2 VAL 18 1HG2 VAL 18 -2.107 1.684 1.684
153 3HG2 VAL 18 2HG2 VAL 18 -3.870 1.798 1.798
154 H ASP 19 H ASP 19 -4.516 2.986 2.986
155 HA ASP 19 HA ASP 19 -6.434 3.889 3.889
156 1HB ASP 19 1HB ASP 19 -4.861 5.460 5.460
157 2HB ASP 19 2HB ASP 19 -5.778 5.145 5.145
158 HD2 ASP 19 HD2 ASP 19 -8.143 7.493 7.493
159 H ARG 20 H ARG 20 -6.583 2.314 2.314
160 HA ARG 20 HA ARG 20 -9.369 2.464 2.464
161 1HB ARG 20 1HB ARG 20 -7.242 2.586 2.586
162 2HB ARG 20 2HB ARG 20 -6.745 1.047 1.047
163 1HG ARG 20 1HG ARG 20 -8.834 -0.045 -0.045
164 2HG ARG 20 2HG ARG 20 -9.324 1.537 1.537
165 1HD ARG 20 1HD ARG 20 -7.144 1.693 1.693
166 2HD ARG 20 2HD ARG 20 -6.661 0.099 0.099
167 HE ARG 20 HE ARG 20 -9.299 -0.220 -0.220
168 1HH1 ARG 20 2HH2 ARG 20 -6.068 0.491 0.491
169 2HH1 ARG 20 1HH2 ARG 20 -6.392 -0.150 -0.150
170 1HH2 ARG 20 1HH1 ARG 20 -9.640 -0.946 -0.946
171 2HH2 ARG 20 2HH1 ARG 20 -8.334 -0.928 -0.928
172 H PHE 21 H PHE 21 -7.062 -0.002 -0.002
173 HA PHE 21 HA PHE 21 -9.014 -1.997 -1.997
174 1HB PHE 21 1HB PHE 21 -6.369 -2.061 -2.061
175 2HB PHE 21 2HB PHE 21 -6.378 -1.280 -1.280
176 HD1 PHE 21 HD1 PHE 21 -7.552 -4.375 -4.375
177 HD2 PHE 21 HD2 PHE 21 -6.621 -2.629 -2.629
178 HE1 PHE 21 HE1 PHE 21 -7.640 -6.603 -6.603
179 HE2 PHE 21 HE2 PHE 21 -6.709 -4.864 -4.864
180 HZ PHE 21 HZ PHE 21 -7.218 -6.851 -6.851
181 H TYR 22 H TYR 22 -7.663 0.613 0.613
182 HA TYR 22 HA TYR 22 -9.456 0.237 0.237
183 1HB TYR 22 1HB TYR 22 -7.223 1.559 1.559
184 2HB TYR 22 2HB TYR 22 -8.040 2.839 2.839
185 HD1 TYR 22 HD2 TYR 22 -7.982 0.931 0.931
186 HD2 TYR 22 HD1 TYR 22 -9.220 4.550 4.550
187 HE1 TYR 22 HE2 TYR 22 -8.502 1.944 1.944
188 HE2 TYR 22 HE1 TYR 22 -9.732 5.555 5.555
189 HH TYR 22 HH TYR 22 -8.944 3.890 3.890
190 H LYS 23 H LYS 23 -10.086 2.438 2.438
191 HA LYS 23 HA LYS 23 -12.759 3.027 3.027
192 1HB LYS 23 2HB LYS 23 -11.378 4.590 4.590
193 2HB LYS 23 1HB LYS 23 -11.607 3.381 3.381
194 1HG LYS 23 1HG LYS 23 -13.021 5.335 5.335
195 2HG LYS 23 2HG LYS 23 -14.017 3.919 3.919
196 1HD LYS 23 1HD LYS 23 -13.495 5.790 5.790
197 2HD LYS 23 2HD LYS 23 -14.637 6.265 6.265
198 1HE LYS 23 1HE LYS 23 -16.002 4.156 4.156
199 2HE LYS 23 2HE LYS 23 -14.872 3.611 3.611
200 1HZ LYS 23 1HZ LYS 23 -15.406 5.740 5.740
201 2HZ LYS 23 2HZ LYS 23 -16.673 5.990 5.990
202 3HZ LYS 23 3HZ LYS 23 -16.605 4.622 4.622
203 H THR 24 H THR 24 -11.619 0.614 0.614
204 HA THR 24 HA THR 24 -14.149 -0.692 -0.692
205 HB THR 24 HB THR 24 -11.485 -2.012 -2.012
206 HG1 THR 24 HG1 THR 24 -11.303 -0.594 -0.594
207 1HG2 THR 24 1HG2 THR 24 -13.301 -3.771 -3.771
208 2HG2 THR 24 2HG2 THR 24 -13.910 -3.035 -3.035
209 3HG2 THR 24 3HG2 THR 24 -12.303 -3.800 -3.800
210 H LEU 25 H LEU 25 -11.858 -1.543 -1.543
211 HA LEU 25 HA LEU 25 -13.849 -2.914 -2.914
212 1HB LEU 25 1HB LEU 25 -11.328 -3.103 -3.103
213 2HB LEU 25 2HB LEU 25 -11.208 -1.512 -1.512
214 HG LEU 25 HG LEU 25 -13.110 -3.461 -3.461
215 1HD1 LEU 25 1HD2 LEU 25 -11.306 -4.995 -4.995
216 2HD1 LEU 25 2HD2 LEU 25 -10.077 -3.910 -3.910
217 3HD1 LEU 25 3HD2 LEU 25 -11.301 -4.699 -4.699
218 1HD2 LEU 25 1HD1 LEU 25 -12.673 -1.167 -1.167
219 2HD2 LEU 25 2HD1 LEU 25 -12.170 -2.451 -2.451
220 3HD2 LEU 25 3HD1 LEU 25 -10.947 -1.555 -1.555
221 H ARG 26 H ARG 26 -13.050 0.726 0.726
222 HA ARG 26 HA ARG 26 -15.510 0.888 0.888
223 1HB ARG 26 1HB ARG 26 -13.579 3.079 3.079
224 2HB ARG 26 2HB ARG 26 -15.004 3.405 3.405
225 1HG ARG 26 1HG ARG 26 -14.029 1.684 1.684
226 2HG ARG 26 2HG ARG 26 -12.504 1.822 1.822
227 1HD ARG 26 1HD ARG 26 -12.269 4.202 4.202
228 2HD ARG 26 2HD ARG 26 -13.967 4.310 4.310
229 HE ARG 26 HE ARG 26 -12.696 2.185 2.185
230 1HH1 ARG 26 2HH2 ARG 26 -12.602 5.640 5.640
231 2HH1 ARG 26 1HH2 ARG 26 -12.458 5.816 5.816
232 1HH2 ARG 26 1HH1 ARG 26 -12.544 2.388 2.388
233 2HH2 ARG 26 2HH1 ARG 26 -12.419 4.024 4.024
234 H ALA 27 H ALA 27 -15.521 -0.029 -0.029
235 HA ALA 27 HA ALA 27 -18.322 0.983 0.983
236 1HB ALA 27 3HB ALA 27 -17.244 1.058 1.058
237 2HB ALA 27 1HB ALA 27 -16.872 -0.677 -0.677
238 3HB ALA 27 2HB ALA 27 -18.561 -0.132 -0.132
239 H GLU 28 H GLU 28 -16.297 -2.047 -2.047
240 HA GLU 28 HA GLU 28 -18.750 -3.583 -3.583
241 1HB GLU 28 1HB GLU 28 -17.469 -5.404 -5.404
242 2HB GLU 28 2HB GLU 28 -16.500 -4.487 -4.487
243 1HG GLU 28 2HG GLU 28 -15.257 -3.640 -3.640
244 2HG GLU 28 1HG GLU 28 -16.090 -4.799 -4.799
245 HE1 GLU 28 HE2 GLU 28 -14.306 -7.536 -7.536
246 H GLN 29 H GLN 29 -16.453 -1.779 -1.779
247 HA GLN 29 HA GLN 29 -18.268 -1.906 -1.906
248 1HB GLN 29 2HB GLN 29 -16.217 0.295 0.295
249 2HB GLN 29 1HB GLN 29 -17.018 0.075 0.075
250 1HG GLN 29 2HG GLN 29 -15.823 -2.212 -2.212
251 2HG GLN 29 1HG GLN 29 -14.882 -1.727 -1.727
252 1HE2 GLN 29 2HE2 GLN 29 -13.121 -0.709 -0.709
253 2HE2 GLN 29 1HE2 GLN 29 -13.933 -2.256 -2.256
254 H ALA 30 H ALA 30 -18.289 0.141 0.141
255 HA ALA 30 HA ALA 30 -19.148 2.283 2.283
256 1HB ALA 30 1HB ALA 30 -21.387 1.290 1.290
257 2HB ALA 30 2HB ALA 30 -21.164 1.903 1.903
258 3HB ALA 30 3HB ALA 30 -21.296 3.039 3.039
259 H SER 31 H SER 31 -19.215 2.340 2.340
260 HA SER 31 HA SER 31 -17.234 4.728 4.728
261 1HB SER 31 1HB SER 31 -19.384 5.419 5.419
262 2HB SER 31 2HB SER 31 -19.413 4.025 4.025
263 HG SER 31 HG SER 31 -17.460 4.803 4.803
264 HXT SER 31 HO OH 32 -15.274 1.893 1.893