Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
4517 | 1f8p RC | 5550 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H TYR 1 HN1 TYR 1 -24.099 -7.891 9.930
2 2H TYR 1 HN2 TYR 1 -25.210 -8.450 11.052
3 3H TYR 1 HN3 TYR 1 -23.556 -8.636 11.258
4 HA TYR 1 HA TYR 1 -25.037 -10.569 10.486
5 1HB TYR 1 HB1 TYR 1 -24.798 -8.708 8.176
6 2HB TYR 1 HB2 TYR 1 -24.780 -10.418 7.842
7 HD1 TYR 1 HD1 TYR 1 -26.862 -7.597 8.837
8 HD2 TYR 1 HD2 TYR 1 -26.746 -11.892 8.502
9 HE1 TYR 1 HE1 TYR 1 -29.306 -7.695 8.619
10 HE2 TYR 1 HE2 TYR 1 -29.198 -11.970 8.586
11 HH TYR 1 HH TYR 1 -31.109 -10.445 8.001
12 HA PRO 2 HA PRO 2 -20.976 -12.200 9.992
13 1HB PRO 2 HB1 PRO 2 -21.706 -14.650 8.777
14 2HB PRO 2 HB2 PRO 2 -21.783 -14.246 10.536
15 1HG PRO 2 HG1 PRO 2 -23.834 -14.620 8.428
16 2HG PRO 2 HG2 PRO 2 -23.960 -14.780 10.219
17 1HD PRO 2 HD1 PRO 2 -24.710 -12.580 8.547
18 2HD PRO 2 HD2 PRO 2 -24.738 -12.681 10.360
19 H SER 3 H SER 3 -22.708 -13.358 7.034
20 HA SER 3 HA SER 3 -20.700 -13.281 5.259
21 1HB SER 3 HB1 SER 3 -23.143 -13.895 4.795
22 2HB SER 3 HB2 SER 3 -23.458 -12.162 4.599
23 HG SER 3 HG SER 3 -22.922 -12.608 2.617
24 H LYS 4 H LYS 4 -19.578 -11.783 4.008
25 HA LYS 4 HA LYS 4 -20.293 -8.973 4.324
26 1HB LYS 4 HB1 LYS 4 -17.961 -8.372 4.925
27 2HB LYS 4 HB2 LYS 4 -18.749 -9.345 6.162
28 1HG LYS 4 HG1 LYS 4 -17.468 -11.263 5.649
29 2HG LYS 4 HG2 LYS 4 -17.081 -10.697 4.013
30 1HD LYS 4 HD1 LYS 4 -15.823 -8.710 5.193
31 2HD LYS 4 HD2 LYS 4 -15.923 -9.771 6.627
32 1HE LYS 4 HE1 LYS 4 -14.973 -11.517 4.715
33 2HE LYS 4 HE2 LYS 4 -14.349 -10.011 4.048
34 1HZ LYS 4 HZ1 LYS 4 -13.407 -9.713 6.333
35 2HZ LYS 4 HZ2 LYS 4 -13.830 -11.285 6.654
36 3HZ LYS 4 HZ3 LYS 4 -12.743 -10.965 5.477
37 HA PRO 5 HA PRO 5 -19.153 -8.938 0.118
38 1HB PRO 5 HB1 PRO 5 -18.318 -6.265 -0.196
39 2HB PRO 5 HB2 PRO 5 -19.997 -6.838 -0.141
40 1HG PRO 5 HG1 PRO 5 -18.468 -5.365 1.934
41 2HG PRO 5 HG2 PRO 5 -20.239 -5.523 1.734
42 1HD PRO 5 HD1 PRO 5 -18.505 -6.910 3.523
43 2HD PRO 5 HD2 PRO 5 -20.245 -7.154 3.293
44 H ASP 6 H ASP 6 -17.385 -9.358 -1.168
45 HA ASP 6 HA ASP 6 -14.645 -8.615 -0.251
46 1HB ASP 6 HB1 ASP 6 -14.912 -10.827 0.678
47 2HB ASP 6 HB2 ASP 6 -15.749 -11.363 -0.823
48 H ASN 7 H ASN 7 -14.259 -7.244 -1.907
49 HA ASN 7 HA ASN 7 -14.090 -8.481 -4.593
50 1HB ASN 7 HB1 ASN 7 -16.170 -6.877 -3.904
51 2HB ASN 7 HB2 ASN 7 -15.170 -5.761 -4.876
52 1HD2 ASN 7 HD2 ASN 7 -14.755 -6.179 -7.035
53 2HD2 ASN 7 HD2 ASN 7 -15.765 -7.374 -7.911
54 HA PRO 8 HA PRO 8 -10.513 -5.827 -3.564
55 1HB PRO 8 HB1 PRO 8 -8.608 -7.580 -4.638
56 2HB PRO 8 HB2 PRO 8 -9.158 -7.624 -2.939
57 1HG PRO 8 HG1 PRO 8 -9.882 -9.387 -5.186
58 2HG PRO 8 HG2 PRO 8 -9.930 -9.765 -3.409
59 1HD PRO 8 HD1 PRO 8 -12.039 -9.174 -5.236
60 2HD PRO 8 HD2 PRO 8 -12.173 -9.299 -3.447
61 H GLY 9 H GLY 9 -10.881 -7.711 -6.594
62 1HA GLY 9 HA1 GLY 9 -11.082 -6.851 -8.732
63 2HA GLY 9 HA2 GLY 9 -10.910 -5.194 -8.086
64 H GLU 10 H GLU 10 -9.232 -4.374 -9.244
65 HA GLU 10 HA GLU 10 -6.739 -6.050 -9.581
66 1HB GLU 10 HB1 GLU 10 -8.239 -4.039 -11.285
67 2HB GLU 10 HB2 GLU 10 -6.527 -3.736 -11.220
68 1HG GLU 10 HG1 GLU 10 -7.041 -6.611 -11.565
69 2HG GLU 10 HG2 GLU 10 -7.612 -5.573 -12.859
70 H ASP 11 H ASP 11 -6.656 -5.525 -7.076
71 HA ASP 11 HA ASP 11 -4.500 -3.615 -6.829
72 1HB ASP 11 HB1 ASP 11 -6.194 -1.829 -7.072
73 2HB ASP 11 HB2 ASP 11 -7.230 -2.625 -5.869
74 H ALA 12 H ALA 12 -3.714 -5.326 -5.727
75 HA ALA 12 HA ALA 12 -4.938 -6.973 -3.884
76 1HB ALA 12 HB1 ALA 12 -2.305 -6.641 -4.744
77 2HB ALA 12 HB2 ALA 12 -2.193 -6.275 -3.022
78 3HB ALA 12 HB3 ALA 12 -2.846 -7.838 -3.556
79 HA PRO 13 HA PRO 13 -5.845 -4.537 -0.418
80 1HB PRO 13 HB1 PRO 13 -5.466 -6.336 1.719
81 2HB PRO 13 HB2 PRO 13 -6.855 -6.277 0.637
82 1HG PRO 13 HG1 PRO 13 -4.651 -8.283 0.677
83 2HG PRO 13 HG2 PRO 13 -6.305 -8.403 0.009
84 1HD PRO 13 HD1 PRO 13 -3.838 -7.901 -1.392
85 2HD PRO 13 HD2 PRO 13 -5.514 -7.938 -2.046
86 H ALA 14 H ALA 14 -4.813 -3.073 0.778
87 HA ALA 14 HA ALA 14 -3.224 -2.012 2.047
88 1HB ALA 14 HB1 ALA 14 -2.274 -3.334 3.538
89 2HB ALA 14 HB2 ALA 14 -2.679 -4.773 2.709
90 3HB ALA 14 HB3 ALA 14 -1.151 -4.027 2.311
91 H GLU 15 H GLU 15 -3.241 -2.736 -1.049
92 HA GLU 15 HA GLU 15 -0.804 -2.822 -2.088
93 1HB GLU 15 HB1 GLU 15 -3.444 -2.006 -2.931
94 2HB GLU 15 HB2 GLU 15 -2.438 -0.714 -3.352
95 1HG GLU 15 HG1 GLU 15 -1.485 -3.586 -3.995
96 2HG GLU 15 HG2 GLU 15 -2.738 -2.824 -4.971
97 H ASP 16 H ASP 16 -2.137 -0.157 -0.299
98 HA ASP 16 HA ASP 16 -0.079 1.726 -1.035
99 1HB ASP 16 HB1 ASP 16 -2.550 2.026 0.163
100 2HB ASP 16 HB2 ASP 16 -1.585 2.065 1.607
101 H LEU 17 H LEU 17 -0.903 -0.191 1.876
102 HA LEU 17 HA LEU 17 1.329 0.568 3.468
103 1HB LEU 17 HB1 LEU 17 0.230 -0.694 4.941
104 2HB LEU 17 HB2 LEU 17 -0.812 -1.270 3.595
105 HG LEU 17 HG LEU 17 0.612 -3.129 3.124
106 1HD1 LEU 17 HD1 LEU 17 2.185 -3.287 5.539
107 2HD1 LEU 17 HD1 LEU 17 2.717 -3.141 3.861
108 3HD1 LEU 17 HD1 LEU 17 2.318 -1.680 4.837
109 1HD2 LEU 17 HD2 LEU 17 0.185 -3.557 6.072
110 2HD2 LEU 17 HD2 LEU 17 -1.189 -2.868 5.262
111 3HD2 LEU 17 HD2 LEU 17 -0.469 -4.397 4.657
112 H ALA 18 H ALA 18 0.974 -1.826 0.909
113 HA ALA 18 HA ALA 18 3.511 -3.114 1.293
114 1HB ALA 18 HB1 ALA 18 2.467 -4.433 -0.171
115 2HB ALA 18 HB2 ALA 18 1.260 -3.210 -0.632
116 3HB ALA 18 HB3 ALA 18 2.816 -3.302 -1.469
117 H ARG 19 H ARG 19 2.606 -0.004 0.129
118 HA ARG 19 HA ARG 19 4.826 0.408 -1.631
119 1HB ARG 19 HB1 ARG 19 2.458 1.700 -1.323
120 2HB ARG 19 HB2 ARG 19 3.442 2.719 -0.272
121 1HG ARG 19 HG1 ARG 19 4.178 3.785 -2.093
122 2HG ARG 19 HG2 ARG 19 5.032 2.330 -2.601
123 1HD ARG 19 HD1 ARG 19 2.050 2.725 -3.177
124 2HD ARG 19 HD2 ARG 19 3.326 3.395 -4.202
125 HE ARG 19 HE ARG 19 3.532 0.522 -3.545
126 1HH1 ARG 19 HH1 ARG 19 2.696 -0.498 -6.824
127 2HH1 ARG 19 HH1 ARG 19 3.324 -1.009 -5.348
128 1HH2 ARG 19 HH2 ARG 19 2.010 1.776 -7.119
129 2HH2 ARG 19 HH2 ARG 19 2.170 2.882 -5.813
130 H TYR 20 H TYR 20 4.002 1.213 1.744
131 HA TYR 20 HA TYR 20 6.421 2.648 2.334
132 1HB TYR 20 HB1 TYR 20 4.655 1.085 4.234
133 2HB TYR 20 HB2 TYR 20 5.677 2.530 4.543
134 HD1 TYR 20 HD1 TYR 20 4.817 4.208 2.146
135 HD2 TYR 20 HD2 TYR 20 2.513 1.903 4.978
136 HE1 TYR 20 HE1 TYR 20 2.878 5.628 1.717
137 HE2 TYR 20 HE2 TYR 20 0.556 3.368 4.544
138 HH TYR 20 HH TYR 20 0.277 5.368 1.901
139 H TYR 21 H TYR 21 5.709 -0.673 1.954
140 HA TYR 21 HA TYR 21 7.654 -1.779 3.729
141 1HB TYR 21 HB1 TYR 21 5.596 -2.688 2.107
142 2HB TYR 21 HB2 TYR 21 6.955 -3.113 1.088
143 HD1 TYR 21 HD1 TYR 21 8.983 -4.264 2.624
144 HD2 TYR 21 HD2 TYR 21 4.738 -4.370 3.397
145 HE1 TYR 21 HE1 TYR 21 9.280 -6.307 3.960
146 HE2 TYR 21 HE2 TYR 21 5.054 -6.437 4.722
147 HH TYR 21 HH TYR 21 8.061 -8.204 4.794
148 H SER 22 H SER 22 7.758 -0.744 0.281
149 HA SER 22 HA SER 22 10.170 -1.812 -0.348
150 1HB SER 22 HB1 SER 22 8.332 0.090 -1.527
151 2HB SER 22 HB2 SER 22 9.943 0.785 -1.659
152 HG SER 22 HG SER 22 9.362 -1.896 -2.405
153 H ALA 23 H ALA 23 9.377 1.345 1.085
154 HA ALA 23 HA ALA 23 12.093 2.342 1.211
155 1HB ALA 23 HB1 ALA 23 9.513 3.093 2.651
156 2HB ALA 23 HB2 ALA 23 11.053 3.953 2.869
157 3HB ALA 23 HB3 ALA 23 10.279 3.912 1.269
158 H LEU 24 H LEU 24 9.973 0.412 3.311
159 HA LEU 24 HA LEU 24 11.731 0.520 5.527
160 1HB LEU 24 HB1 LEU 24 9.194 -0.764 4.850
161 2HB LEU 24 HB2 LEU 24 10.246 -1.996 5.533
162 HG LEU 24 HG LEU 24 9.148 0.573 6.746
163 1HD1 LEU 24 HD1 LEU 24 8.507 -1.025 8.551
164 2HD1 LEU 24 HD1 LEU 24 7.836 -1.477 6.974
165 3HD1 LEU 24 HD1 LEU 24 9.232 -2.361 7.634
166 1HD2 LEU 24 HD2 LEU 24 10.689 -0.330 8.779
167 2HD2 LEU 24 HD2 LEU 24 11.692 -0.785 7.395
168 3HD2 LEU 24 HD2 LEU 24 11.203 0.908 7.614
169 H ARG 25 H ARG 25 11.515 -1.529 2.661
170 HA ARG 25 HA ARG 25 13.319 -3.500 3.575
171 1HB ARG 25 HB1 ARG 25 12.195 -4.129 1.645
172 2HB ARG 25 HB2 ARG 25 12.358 -2.565 0.859
173 1HG ARG 25 HG1 ARG 25 14.493 -2.845 0.095
174 2HG ARG 25 HG2 ARG 25 14.927 -4.068 1.310
175 1HD ARG 25 HD1 ARG 25 13.595 -5.755 0.239
176 2HD ARG 25 HD2 ARG 25 12.947 -4.579 -0.904
177 HE ARG 25 HE ARG 25 14.843 -4.686 -2.170
178 1HH1 ARG 25 HH1 ARG 25 17.938 -6.323 -1.589
179 2HH1 ARG 25 HH1 ARG 25 16.967 -5.477 -2.748
180 1HH2 ARG 25 HH2 ARG 25 17.094 -6.685 0.622
181 2HH2 ARG 25 HH2 ARG 25 15.520 -6.079 1.006
182 H HIS 26 H HIS 26 13.822 -0.533 1.561
183 HA HIS 26 HA HIS 26 16.569 -0.798 1.134
184 1HB HIS 26 HB1 HIS 26 14.964 0.995 0.307
185 2HB HIS 26 HB2 HIS 26 15.186 1.829 1.857
186 HD1 HIS 26 HD1 HIS 26 17.865 0.197 -0.434
187 HD2 HIS 26 HD2 HIS 26 16.765 3.893 1.244
188 HE1 HIS 26 HE1 HIS 26 19.721 1.838 -1.019
189 H TYR 27 H TYR 27 14.903 0.591 3.934
190 HA TYR 27 HA TYR 27 17.230 1.279 5.444
191 1HB TYR 27 HB1 TYR 27 14.321 1.130 5.825
192 2HB TYR 27 HB2 TYR 27 15.240 0.808 7.304
193 HD1 TYR 27 HD1 TYR 27 17.062 2.392 8.075
194 HD2 TYR 27 HD2 TYR 27 14.064 3.381 5.133
195 HE1 TYR 27 HE1 TYR 27 17.403 4.805 8.533
196 HE2 TYR 27 HE2 TYR 27 14.408 5.785 5.597
197 HH TYR 27 HH TYR 27 16.985 7.074 6.979
198 H ILE 28 H ILE 28 14.802 -1.222 6.242
199 HA ILE 28 HA ILE 28 16.311 -2.638 8.050
200 HB ILE 28 HB ILE 28 14.311 -3.706 6.124
201 1HG1 ILE 28 1HG1 ILE 28 14.145 -2.562 8.981
202 2HG1 ILE 28 2HG1 ILE 28 13.424 -1.938 7.531
203 1HG2 ILE 28 1HG2 ILE 28 15.984 -5.195 8.018
204 2HG2 ILE 28 2HG2 ILE 28 14.382 -5.203 8.628
205 3HG2 ILE 28 3HG2 ILE 28 14.676 -5.753 6.954
206 1HD1 ILE 28 1HD1 ILE 28 11.545 -3.108 8.012
207 2HD1 ILE 28 2HD1 ILE 28 12.427 -4.579 7.633
208 3HD1 ILE 28 3HD1 ILE 28 12.401 -3.973 9.308
209 H ASN 29 H ASN 29 16.708 -2.543 4.592
210 HA ASN 29 HA ASN 29 18.299 -4.960 4.294
211 1HB ASN 29 HB1 ASN 29 17.293 -4.074 2.325
212 2HB ASN 29 HB2 ASN 29 17.887 -2.472 2.644
213 1HD2 ASN 29 HD2 ASN 29 18.758 -2.224 0.623
214 2HD2 ASN 29 HD2 ASN 29 20.290 -3.029 0.225
215 H LEU 30 H LEU 30 19.006 -1.448 4.418
216 HA LEU 30 HA LEU 30 21.859 -1.929 4.547
217 1HB LEU 30 HB1 LEU 30 22.182 0.451 4.727
218 2HB LEU 30 HB2 LEU 30 21.111 -0.015 3.384
219 HG LEU 30 HG LEU 30 19.196 0.535 4.903
220 1HD1 LEU 30 HD1 LEU 30 21.268 1.033 6.835
221 2HD1 LEU 30 HD1 LEU 30 20.400 2.518 6.547
222 3HD1 LEU 30 HD1 LEU 30 19.480 1.109 7.034
223 1HD2 LEU 30 HD2 LEU 30 19.739 1.972 3.078
224 2HD2 LEU 30 HD2 LEU 30 19.322 2.956 4.487
225 3HD2 LEU 30 HD2 LEU 30 21.034 2.735 4.039
226 H ILE 31 H ILE 31 19.430 -0.901 6.853
227 HA ILE 31 HA ILE 31 20.908 -0.454 9.036
228 HB ILE 31 HB ILE 31 18.181 -0.649 8.480
229 1HG1 ILE 31 1HG1 ILE 31 19.583 0.787 10.193
230 2HG1 ILE 31 2HG1 ILE 31 17.845 0.598 10.270
231 1HG2 ILE 31 1HG2 ILE 31 17.133 -2.145 10.095
232 2HG2 ILE 31 2HG2 ILE 31 18.143 -3.015 8.936
233 3HG2 ILE 31 3HG2 ILE 31 18.727 -2.795 10.564
234 1HD1 ILE 31 1HD1 ILE 31 18.086 -1.191 11.985
235 2HD1 ILE 31 2HD1 ILE 31 19.865 -1.100 11.812
236 3HD1 ILE 31 3HD1 ILE 31 18.929 0.254 12.493
237 H THR 32 H THR 32 19.869 -3.567 7.656
238 HA THR 32 HA THR 32 20.955 -5.105 9.831
239 HB THR 32 HB THR 32 20.647 -6.988 8.116
240 HG1 THR 32 HG1 THR 32 20.797 -5.546 6.254
241 1HG2 THR 32 1HG2 THR 32 18.748 -6.768 9.569
242 2HG2 THR 32 2HG2 THR 32 18.433 -5.119 9.059
243 3HG2 THR 32 3HG2 THR 32 18.048 -6.459 7.971
244 H ARG 33 H ARG 33 22.076 -3.967 6.633
245 HA ARG 33 HA ARG 33 24.222 -5.436 6.174
246 1HB ARG 33 HB1 ARG 33 23.384 -3.113 5.381
247 2HB ARG 33 HB2 ARG 33 24.977 -2.593 5.943
248 1HG ARG 33 HG1 ARG 33 26.003 -3.911 4.285
249 2HG ARG 33 HG2 ARG 33 24.655 -5.015 4.138
250 1HD ARG 33 HD1 ARG 33 23.984 -3.987 2.340
251 2HD ARG 33 HD2 ARG 33 23.420 -2.699 3.367
252 HE ARG 33 HE ARG 33 26.234 -2.479 2.727
253 1HH1 ARG 33 HH1 ARG 33 25.738 0.206 0.481
254 2HH1 ARG 33 HH1 ARG 33 26.894 -0.713 1.383
255 1HH2 ARG 33 HH2 ARG 33 23.417 -0.366 0.639
256 2HH2 ARG 33 HH2 ARG 33 22.956 -1.702 1.652
257 H GLN 34 H GLN 34 24.132 -2.696 8.428
258 HA GLN 34 HA GLN 34 26.810 -3.217 9.449
259 1HB GLN 34 HB1 GLN 34 24.692 -1.098 9.935
260 2HB GLN 34 HB2 GLN 34 25.998 -1.354 11.086
261 1HG GLN 34 HG1 GLN 34 27.016 -1.308 8.303
262 2HG GLN 34 HG2 GLN 34 26.086 0.146 8.656
263 1HE2 GLN 34 1HE2 GLN 34 28.685 0.483 8.058
264 2HE2 GLN 34 2HE2 GLN 34 29.595 0.874 9.522
265 H ARG 35 H ARG 35 23.514 -3.008 10.853
266 HA ARG 35 HA ARG 35 24.182 -3.976 13.367
267 1HB ARG 35 HB1 ARG 35 21.873 -3.141 12.363
268 2HB ARG 35 HB2 ARG 35 21.544 -4.855 12.101
269 1HG ARG 35 HG1 ARG 35 21.830 -5.304 14.437
270 2HG ARG 35 HG2 ARG 35 22.395 -3.641 14.747
271 1HD ARG 35 HD1 ARG 35 20.350 -2.676 14.460
272 2HD ARG 35 HD2 ARG 35 19.698 -3.981 13.436
273 HE ARG 35 HE ARG 35 20.087 -5.300 15.757
274 1HH1 ARG 35 HH1 ARG 35 17.349 -4.295 17.755
275 2HH1 ARG 35 HH1 ARG 35 18.550 -5.513 17.492
276 1HH2 ARG 35 HH2 ARG 35 17.279 -2.381 16.320
277 2HH2 ARG 35 HH2 ARG 35 18.435 -2.266 15.037
278 H TYR 36 H TYR 36 22.751 -5.979 10.783
279 HA TYR 36 HA TYR 36 23.685 -8.459 12.044
280 1HB TYR 36 HB1 TYR 36 21.535 -7.578 10.146
281 2HB TYR 36 HB2 TYR 36 22.277 -9.084 9.721
282 HD1 TYR 36 HD1 TYR 36 21.675 -11.086 10.804
283 HD2 TYR 36 HD2 TYR 36 20.608 -7.298 12.569
284 HE1 TYR 36 HE1 TYR 36 20.259 -12.254 12.443
285 HE2 TYR 36 HE2 TYR 36 19.174 -8.487 14.221
286 HH TYR 36 HH TYR 36 18.871 -12.047 14.229
287 1HN NH2 37 HN1 NH2 237 24.307 -10.128 10.298
288 2HN NH2 37 HN2 NH2 237 25.556 -9.571 9.157
Start of MODEL 2
1 1H TYR 1 HN1 TYR 1 -1.967 -12.857 0.133
2 2H TYR 1 HN2 TYR 1 -1.635 -11.277 0.441
3 3H TYR 1 HN3 TYR 1 -1.879 -12.334 1.695
4 HA TYR 1 HA TYR 1 -3.785 -10.954 0.114
5 1HB TYR 1 HB1 TYR 1 -3.816 -13.870 0.054
6 2HB TYR 1 HB2 TYR 1 -5.224 -13.237 0.919
7 HD1 TYR 1 HD1 TYR 1 -7.097 -12.643 -0.288
8 HD2 TYR 1 HD2 TYR 1 -3.235 -12.729 -2.228
9 HE1 TYR 1 HE1 TYR 1 -8.157 -12.509 -2.514
10 HE2 TYR 1 HE2 TYR 1 -4.297 -12.090 -4.330
11 HH TYR 1 HH TYR 1 -6.395 -11.367 -5.303
12 HA PRO 2 HA PRO 2 -5.431 -11.741 4.484
13 1HB PRO 2 HB1 PRO 2 -3.908 -13.243 6.263
14 2HB PRO 2 HB2 PRO 2 -5.302 -13.797 5.308
15 1HG PRO 2 HG1 PRO 2 -2.412 -14.367 4.876
16 2HG PRO 2 HG2 PRO 2 -3.798 -15.261 4.227
17 1HD PRO 2 HD1 PRO 2 -2.109 -13.514 3.030
18 2HD PRO 2 HD2 PRO 2 -3.602 -14.235 2.333
19 H SER 3 H SER 3 -5.134 -9.899 5.598
20 HA SER 3 HA SER 3 -2.641 -9.244 7.006
21 1HB SER 3 HB1 SER 3 -2.565 -6.981 5.877
22 2HB SER 3 HB2 SER 3 -1.993 -8.372 4.906
23 HG SER 3 HG SER 3 -4.320 -6.876 4.578
24 H LYS 4 H LYS 4 -5.686 -7.835 5.791
25 HA LYS 4 HA LYS 4 -6.903 -7.659 8.382
26 1HB LYS 4 HB1 LYS 4 -6.785 -5.179 8.597
27 2HB LYS 4 HB2 LYS 4 -5.193 -5.935 8.823
28 1HG LYS 4 HG1 LYS 4 -4.289 -5.364 6.831
29 2HG LYS 4 HG2 LYS 4 -5.803 -4.694 6.149
30 1HD LYS 4 HD1 LYS 4 -4.534 -3.715 8.746
31 2HD LYS 4 HD2 LYS 4 -4.106 -3.147 7.127
32 1HE LYS 4 HE1 LYS 4 -7.076 -3.139 7.799
33 2HE LYS 4 HE2 LYS 4 -6.019 -1.957 8.593
34 1HZ LYS 4 HZ1 LYS 4 -6.831 -2.139 5.873
35 2HZ LYS 4 HZ2 LYS 4 -6.362 -0.837 6.805
36 3HZ LYS 4 HZ3 LYS 4 -5.220 -1.753 6.092
37 HA PRO 5 HA PRO 5 -9.351 -6.917 4.448
38 1HB PRO 5 HB1 PRO 5 -10.909 -9.194 4.626
39 2HB PRO 5 HB2 PRO 5 -9.443 -9.022 3.620
40 1HG PRO 5 HG1 PRO 5 -9.923 -10.497 6.069
41 2HG PRO 5 HG2 PRO 5 -8.543 -10.723 4.946
42 1HD PRO 5 HD1 PRO 5 -8.449 -9.324 7.495
43 2HD PRO 5 HD2 PRO 5 -7.195 -9.476 6.234
44 H ASP 6 H ASP 6 -11.226 -5.790 4.499
45 HA ASP 6 HA ASP 6 -13.091 -6.127 6.818
46 1HB ASP 6 HB1 ASP 6 -11.749 -3.503 5.995
47 2HB ASP 6 HB2 ASP 6 -13.120 -3.791 7.107
48 H ASN 7 H ASN 7 -12.435 -4.012 4.044
49 HA ASN 7 HA ASN 7 -14.483 -5.096 2.489
50 1HB ASN 7 HB1 ASN 7 -15.818 -3.742 4.512
51 2HB ASN 7 HB2 ASN 7 -15.393 -2.383 3.481
52 1HD2 ASN 7 HD2 ASN 7 -17.097 -1.900 2.130
53 2HD2 ASN 7 HD2 ASN 7 -18.184 -3.124 1.488
54 HA PRO 8 HA PRO 8 -12.184 -2.297 -0.167
55 1HB PRO 8 HB1 PRO 8 -13.767 -2.366 -2.475
56 2HB PRO 8 HB2 PRO 8 -12.579 -3.605 -1.953
57 1HG PRO 8 HG1 PRO 8 -15.519 -3.798 -1.881
58 2HG PRO 8 HG2 PRO 8 -14.223 -5.060 -1.882
59 1HD PRO 8 HD1 PRO 8 -15.754 -4.065 0.240
60 2HD PRO 8 HD2 PRO 8 -14.424 -5.277 0.301
61 H GLY 9 H GLY 9 -12.347 -0.211 0.629
62 1HA GLY 9 HA1 GLY 9 -13.651 1.926 -0.684
63 2HA GLY 9 HA2 GLY 9 -14.766 1.384 0.537
64 H GLU 10 H GLU 10 -11.166 1.680 0.505
65 HA GLU 10 HA GLU 10 -11.323 3.494 2.856
66 1HB GLU 10 HB1 GLU 10 -10.590 0.784 3.129
67 2HB GLU 10 HB2 GLU 10 -9.005 1.574 2.916
68 1HG GLU 10 HG1 GLU 10 -9.331 1.858 5.179
69 2HG GLU 10 HG2 GLU 10 -10.051 3.310 4.599
70 H ASP 11 H ASP 11 -8.471 3.551 3.059
71 HA ASP 11 HA ASP 11 -7.844 5.215 0.637
72 1HB ASP 11 HB1 ASP 11 -6.101 6.182 2.019
73 2HB ASP 11 HB2 ASP 11 -7.650 6.359 2.802
74 H ALA 12 H ALA 12 -7.913 2.633 0.035
75 HA ALA 12 HA ALA 12 -6.538 1.018 -1.001
76 1HB ALA 12 HB1 ALA 12 -5.441 3.055 -1.922
77 2HB ALA 12 HB2 ALA 12 -4.189 2.948 -0.671
78 3HB ALA 12 HB3 ALA 12 -4.389 1.636 -1.812
79 HA PRO 13 HA PRO 13 -5.073 -0.094 3.277
80 1HB PRO 13 HB1 PRO 13 -6.724 -2.374 3.560
81 2HB PRO 13 HB2 PRO 13 -7.077 -0.699 4.126
82 1HG PRO 13 HG1 PRO 13 -8.261 -2.168 1.856
83 2HG PRO 13 HG2 PRO 13 -8.883 -0.779 2.781
84 1HD PRO 13 HD1 PRO 13 -7.570 -0.778 0.220
85 2HD PRO 13 HD2 PRO 13 -8.109 0.636 1.174
86 H ALA 14 H ALA 14 -3.338 -1.424 3.396
87 HA ALA 14 HA ALA 14 -2.042 -3.389 3.198
88 1HB ALA 14 HB1 ALA 14 -3.595 -4.516 0.916
89 2HB ALA 14 HB2 ALA 14 -2.633 -5.322 2.158
90 3HB ALA 14 HB3 ALA 14 -4.223 -4.619 2.594
91 H GLU 15 H GLU 15 -3.313 -2.491 -0.068
92 HA GLU 15 HA GLU 15 -1.067 -2.721 -1.541
93 1HB GLU 15 HB1 GLU 15 -3.545 -1.950 -2.135
94 2HB GLU 15 HB2 GLU 15 -2.851 -0.323 -2.009
95 1HG GLU 15 HG1 GLU 15 -1.088 -0.959 -3.641
96 2HG GLU 15 HG2 GLU 15 -1.870 -2.514 -3.862
97 H ASP 16 H ASP 16 -1.990 -0.086 0.629
98 HA ASP 16 HA ASP 16 0.111 1.682 -0.083
99 1HB ASP 16 HB1 ASP 16 -2.107 1.716 1.786
100 2HB ASP 16 HB2 ASP 16 -0.699 1.842 2.797
101 H LEU 17 H LEU 17 -0.256 -0.635 2.496
102 HA LEU 17 HA LEU 17 2.217 -0.312 3.907
103 1HB LEU 17 HB1 LEU 17 0.978 -3.047 3.377
104 2HB LEU 17 HB2 LEU 17 1.998 -2.532 4.739
105 HG LEU 17 HG LEU 17 -0.873 -1.771 4.054
106 1HD1 LEU 17 HD1 LEU 17 -0.570 -4.012 5.092
107 2HD1 LEU 17 HD1 LEU 17 0.411 -3.290 6.388
108 3HD1 LEU 17 HD1 LEU 17 -1.307 -2.866 6.216
109 1HD2 LEU 17 HD2 LEU 17 -1.012 -0.489 5.921
110 2HD2 LEU 17 HD2 LEU 17 0.715 -0.704 6.381
111 3HD2 LEU 17 HD2 LEU 17 0.267 0.259 4.951
112 H ALA 18 H ALA 18 1.542 -2.102 0.961
113 HA ALA 18 HA ALA 18 4.145 -3.191 0.520
114 1HB ALA 18 HB1 ALA 18 2.049 -2.322 -1.458
115 2HB ALA 18 HB2 ALA 18 3.518 -3.169 -1.910
116 3HB ALA 18 HB3 ALA 18 2.323 -3.950 -0.835
117 H ARG 19 H ARG 19 2.826 0.021 -0.200
118 HA ARG 19 HA ARG 19 5.112 1.015 -1.670
119 1HB ARG 19 HB1 ARG 19 2.529 2.023 -1.015
120 2HB ARG 19 HB2 ARG 19 3.581 2.967 0.022
121 1HG ARG 19 HG1 ARG 19 3.531 4.195 -1.941
122 2HG ARG 19 HG2 ARG 19 5.068 3.289 -2.053
123 1HD ARG 19 HD1 ARG 19 3.541 1.477 -3.257
124 2HD ARG 19 HD2 ARG 19 2.416 2.830 -3.454
125 HE ARG 19 HE ARG 19 4.732 3.905 -4.356
126 1HH1 ARG 19 HH1 ARG 19 5.080 2.392 -7.593
127 2HH1 ARG 19 HH1 ARG 19 5.460 3.794 -6.561
128 1HH2 ARG 19 HH2 ARG 19 3.566 0.833 -6.814
129 2HH2 ARG 19 HH2 ARG 19 2.965 0.944 -5.204
130 H TYR 20 H TYR 20 4.072 1.354 1.683
131 HA TYR 20 HA TYR 20 6.483 2.684 2.611
132 1HB TYR 20 HB1 TYR 20 4.625 1.037 4.294
133 2HB TYR 20 HB2 TYR 20 5.655 2.456 4.722
134 HD1 TYR 20 HD1 TYR 20 2.390 1.767 4.875
135 HD2 TYR 20 HD2 TYR 20 4.942 4.354 2.516
136 HE1 TYR 20 HE1 TYR 20 0.496 3.253 4.427
137 HE2 TYR 20 HE2 TYR 20 3.084 5.802 2.097
138 HH TYR 20 HH TYR 20 -0.148 5.376 3.500
139 H TYR 21 H TYR 21 5.812 -0.584 1.861
140 HA TYR 21 HA TYR 21 7.650 -1.856 3.630
141 1HB TYR 21 HB1 TYR 21 5.689 -2.599 1.769
142 2HB TYR 21 HB2 TYR 21 7.193 -3.171 1.014
143 HD1 TYR 21 HD1 TYR 21 5.491 -2.924 4.396
144 HD2 TYR 21 HD2 TYR 21 7.466 -5.403 1.447
145 HE1 TYR 21 HE1 TYR 21 5.310 -4.863 5.889
146 HE2 TYR 21 HE2 TYR 21 7.223 -7.335 2.899
147 HH TYR 21 HH TYR 21 5.947 -8.178 4.855
148 H SER 22 H SER 22 7.832 -0.807 0.140
149 HA SER 22 HA SER 22 10.273 -1.808 -0.375
150 1HB SER 22 HB1 SER 22 9.007 0.734 -1.302
151 2HB SER 22 HB2 SER 22 10.413 -0.013 -2.137
152 HG SER 22 HG SER 22 9.117 -1.440 -2.922
153 H ALA 23 H ALA 23 9.456 1.296 1.088
154 HA ALA 23 HA ALA 23 12.181 2.368 1.255
155 1HB ALA 23 HB1 ALA 23 10.081 3.734 1.290
156 2HB ALA 23 HB2 ALA 23 9.754 3.141 2.940
157 3HB ALA 23 HB3 ALA 23 11.219 4.094 2.597
158 H LEU 24 H LEU 24 9.971 0.426 3.271
159 HA LEU 24 HA LEU 24 11.700 0.503 5.526
160 1HB LEU 24 HB1 LEU 24 9.172 -0.875 4.759
161 2HB LEU 24 HB2 LEU 24 10.238 -2.040 5.523
162 HG LEU 24 HG LEU 24 9.046 0.526 6.585
163 1HD1 LEU 24 HD1 LEU 24 8.063 -1.989 6.619
164 2HD1 LEU 24 HD1 LEU 24 9.176 -2.189 7.977
165 3HD1 LEU 24 HD1 LEU 24 7.947 -0.911 8.002
166 1HD2 LEU 24 HD2 LEU 24 11.649 -0.715 7.364
167 2HD2 LEU 24 HD2 LEU 24 10.984 0.888 7.743
168 3HD2 LEU 24 HD2 LEU 24 10.473 -0.558 8.656
169 H ARG 25 H ARG 25 11.456 -1.535 2.661
170 HA ARG 25 HA ARG 25 13.302 -3.517 3.567
171 1HB ARG 25 HB1 ARG 25 12.148 -4.148 1.655
172 2HB ARG 25 HB2 ARG 25 12.380 -2.599 0.835
173 1HG ARG 25 HG1 ARG 25 14.484 -2.943 0.138
174 2HG ARG 25 HG2 ARG 25 14.891 -4.141 1.371
175 1HD ARG 25 HD1 ARG 25 13.704 -5.871 0.341
176 2HD ARG 25 HD2 ARG 25 12.903 -4.801 -0.772
177 HE ARG 25 HE ARG 25 14.704 -4.734 -2.177
178 1HH1 ARG 25 HH1 ARG 25 17.987 -6.121 -1.798
179 2HH1 ARG 25 HH1 ARG 25 16.908 -5.321 -2.862
180 1HH2 ARG 25 HH2 ARG 25 17.178 -6.641 0.496
181 2HH2 ARG 25 HH2 ARG 25 15.602 -6.136 0.899
182 H HIS 26 H HIS 26 13.800 -0.565 1.596
183 HA HIS 26 HA HIS 26 16.549 -0.875 1.249
184 1HB HIS 26 HB1 HIS 26 14.976 0.926 0.361
185 2HB HIS 26 HB2 HIS 26 15.186 1.769 1.901
186 HD1 HIS 26 HD1 HIS 26 17.837 -0.009 -0.330
187 HD2 HIS 26 HD2 HIS 26 16.767 3.729 1.315
188 HE1 HIS 26 HE1 HIS 26 19.778 1.594 -0.733
189 H TYR 27 H TYR 27 14.855 0.537 3.933
190 HA TYR 27 HA TYR 27 17.105 1.319 5.578
191 1HB TYR 27 HB1 TYR 27 14.186 1.119 5.854
192 2HB TYR 27 HB2 TYR 27 15.079 0.755 7.370
193 HD1 TYR 27 HD1 TYR 27 14.301 3.371 4.965
194 HD2 TYR 27 HD2 TYR 27 16.583 2.213 8.474
195 HE1 TYR 27 HE1 TYR 27 14.628 5.726 5.556
196 HE2 TYR 27 HE2 TYR 27 16.928 4.577 9.026
197 HH TYR 27 HH TYR 27 17.092 6.765 7.683
198 H ILE 28 H ILE 28 14.716 -1.282 6.207
199 HA ILE 28 HA ILE 28 16.229 -2.635 8.089
200 HB ILE 28 HB ILE 28 14.281 -3.785 6.170
201 1HG1 ILE 28 1HG1 ILE 28 14.080 -2.661 9.009
202 2HG1 ILE 28 2HG1 ILE 28 13.380 -1.948 7.579
203 1HG2 ILE 28 1HG2 ILE 28 14.711 -5.824 7.061
204 2HG2 ILE 28 2HG2 ILE 28 15.968 -5.215 8.152
205 3HG2 ILE 28 3HG2 ILE 28 14.350 -5.259 8.707
206 1HD1 ILE 28 1HD1 ILE 28 12.404 -4.686 7.685
207 2HD1 ILE 28 2HD1 ILE 28 12.378 -3.866 9.268
208 3HD1 ILE 28 3HD1 ILE 28 11.503 -3.164 7.881
209 H ASN 29 H ASN 29 16.679 -2.578 4.632
210 HA ASN 29 HA ASN 29 18.385 -4.956 4.345
211 1HB ASN 29 HB1 ASN 29 17.276 -4.139 2.416
212 2HB ASN 29 HB2 ASN 29 17.897 -2.518 2.629
213 1HD2 ASN 29 HD2 ASN 29 18.536 -5.453 1.263
214 2HD2 ASN 29 HD2 ASN 29 20.150 -5.043 0.589
215 H LEU 30 H LEU 30 18.954 -1.411 4.429
216 HA LEU 30 HA LEU 30 21.839 -1.794 4.418
217 1HB LEU 30 HB1 LEU 30 22.021 0.609 4.657
218 2HB LEU 30 HB2 LEU 30 20.932 0.102 3.352
219 HG LEU 30 HG LEU 30 19.112 0.492 5.088
220 1HD1 LEU 30 HD1 LEU 30 21.122 1.133 6.894
221 2HD1 LEU 30 HD1 LEU 30 20.589 2.692 6.331
222 3HD1 LEU 30 HD1 LEU 30 19.395 1.557 7.010
223 1HD2 LEU 30 HD2 LEU 30 19.023 2.947 4.505
224 2HD2 LEU 30 HD2 LEU 30 20.600 2.690 3.702
225 3HD2 LEU 30 HD2 LEU 30 19.155 1.827 3.140
226 H ILE 31 H ILE 31 19.518 -0.830 6.836
227 HA ILE 31 HA ILE 31 21.067 -0.447 9.003
228 HB ILE 31 HB ILE 31 18.292 -0.621 8.556
229 1HG1 ILE 31 1HG1 ILE 31 19.746 0.735 10.291
230 2HG1 ILE 31 2HG1 ILE 31 18.007 0.494 10.376
231 1HG2 ILE 31 1HG2 ILE 31 18.186 -2.962 8.849
232 2HG2 ILE 31 2HG2 ILE 31 18.939 -2.891 10.430
233 3HG2 ILE 31 3HG2 ILE 31 17.316 -2.199 10.183
234 1HD1 ILE 31 1HD1 ILE 31 20.042 -1.286 11.823
235 2HD1 ILE 31 2HD1 ILE 31 19.242 0.117 12.576
236 3HD1 ILE 31 3HD1 ILE 31 18.271 -1.260 12.083
237 H THR 32 H THR 32 19.944 -3.553 7.611
238 HA THR 32 HA THR 32 21.204 -5.133 9.665
239 HB THR 32 HB THR 32 20.690 -7.007 8.124
240 HG1 THR 32 HG1 THR 32 19.895 -6.494 6.152
241 1HG2 THR 32 1HG2 THR 32 18.080 -6.442 8.230
242 2HG2 THR 32 2HG2 THR 32 18.973 -6.693 9.740
243 3HG2 THR 32 3HG2 THR 32 18.620 -5.068 9.199
244 H ARG 33 H ARG 33 21.772 -4.413 6.207
245 HA ARG 33 HA ARG 33 23.994 -5.875 5.723
246 1HB ARG 33 HB1 ARG 33 22.871 -3.679 4.475
247 2HB ARG 33 HB2 ARG 33 24.501 -3.151 4.821
248 1HG ARG 33 HG1 ARG 33 24.765 -5.745 3.703
249 2HG ARG 33 HG2 ARG 33 23.360 -4.992 2.894
250 1HD ARG 33 HD1 ARG 33 24.580 -3.642 1.666
251 2HD ARG 33 HD2 ARG 33 25.659 -3.167 2.991
252 HE ARG 33 HE ARG 33 26.181 -5.843 2.231
253 1HH1 ARG 33 HH1 ARG 33 29.084 -5.023 0.405
254 2HH1 ARG 33 HH1 ARG 33 28.201 -6.296 1.182
255 1HH2 ARG 33 HH2 ARG 33 28.204 -2.759 0.470
256 2HH2 ARG 33 HH2 ARG 33 26.647 -2.520 1.191
257 H GLN 34 H GLN 34 24.033 -2.757 7.385
258 HA GLN 34 HA GLN 34 26.870 -2.794 8.054
259 1HB GLN 34 HB1 GLN 34 24.541 -0.909 8.530
260 2HB GLN 34 HB2 GLN 34 26.015 -0.775 9.504
261 1HG GLN 34 HG1 GLN 34 26.523 -1.067 6.576
262 2HG GLN 34 HG2 GLN 34 25.678 0.418 7.095
263 1HE2 GLN 34 1HE2 GLN 34 27.049 2.102 7.374
264 2HE2 GLN 34 2HE2 GLN 34 28.661 1.906 8.051
265 H ARG 35 H ARG 35 23.705 -3.132 9.801
266 HA ARG 35 HA ARG 35 25.032 -3.621 12.351
267 1HB ARG 35 HB1 ARG 35 22.695 -2.873 12.237
268 2HB ARG 35 HB2 ARG 35 22.313 -4.354 11.352
269 1HG ARG 35 HG1 ARG 35 23.533 -5.323 13.688
270 2HG ARG 35 HG2 ARG 35 22.605 -3.965 14.225
271 1HD ARG 35 HD1 ARG 35 20.743 -5.125 14.055
272 2HD ARG 35 HD2 ARG 35 20.922 -5.562 12.334
273 HE ARG 35 HE ARG 35 22.588 -7.094 14.143
274 1HH1 ARG 35 HH1 ARG 35 20.323 -9.816 14.291
275 2HH1 ARG 35 HH1 ARG 35 21.951 -9.232 14.569
276 1HH2 ARG 35 HH2 ARG 35 18.621 -8.121 13.633
277 2HH2 ARG 35 HH2 ARG 35 19.176 -6.563 13.255
278 H TYR 36 H TYR 36 23.063 -5.970 10.530
279 HA TYR 36 HA TYR 36 23.722 -8.369 11.701
280 1HB TYR 36 HB1 TYR 36 22.464 -7.501 9.230
281 2HB TYR 36 HB2 TYR 36 23.652 -8.700 8.782
282 HD1 TYR 36 HD1 TYR 36 21.154 -8.026 11.352
283 HD2 TYR 36 HD2 TYR 36 22.669 -10.757 8.476
284 HE1 TYR 36 HE1 TYR 36 19.390 -9.744 12.061
285 HE2 TYR 36 HE2 TYR 36 20.979 -12.396 9.094
286 HH TYR 36 HH TYR 36 19.021 -12.819 10.389
287 1HN NH2 37 HN1 NH2 237 25.359 -6.775 9.010
288 2HN NH2 37 HN2 NH2 237 26.864 -7.583 9.266
Start of MODEL 3
1 1H TYR 1 HN1 TYR 1 18.905 14.909 -7.268
2 2H TYR 1 HN2 TYR 1 20.280 14.254 -6.664
3 3H TYR 1 HN3 TYR 1 19.668 15.665 -6.024
4 HA TYR 1 HA TYR 1 20.235 16.823 -8.030
5 1HB TYR 1 HB1 TYR 1 22.191 15.533 -6.336
6 2HB TYR 1 HB2 TYR 1 22.802 15.684 -7.989
7 HD1 TYR 1 HD1 TYR 1 20.895 17.686 -5.413
8 HD2 TYR 1 HD2 TYR 1 23.987 17.683 -8.476
9 HE1 TYR 1 HE1 TYR 1 21.511 20.011 -4.875
10 HE2 TYR 1 HE2 TYR 1 24.466 19.952 -8.027
11 HH TYR 1 HH TYR 1 23.326 22.046 -6.849
12 HA PRO 2 HA PRO 2 21.786 13.760 -11.251
13 1HB PRO 2 HB1 PRO 2 21.809 11.014 -10.588
14 2HB PRO 2 HB2 PRO 2 23.207 12.150 -10.486
15 1HG PRO 2 HG1 PRO 2 21.573 10.914 -8.369
16 2HG PRO 2 HG2 PRO 2 23.199 11.642 -8.244
17 1HD PRO 2 HD1 PRO 2 20.646 12.628 -7.593
18 2HD PRO 2 HD2 PRO 2 22.251 13.481 -7.474
19 H SER 3 H SER 3 19.613 11.437 -9.421
20 HA SER 3 HA SER 3 17.279 12.272 -10.867
21 1HB SER 3 HB1 SER 3 18.814 10.842 -12.624
22 2HB SER 3 HB2 SER 3 18.149 9.486 -11.723
23 HG SER 3 HG SER 3 16.083 10.904 -12.135
24 H LYS 4 H LYS 4 15.573 11.649 -9.582
25 HA LYS 4 HA LYS 4 15.805 9.182 -8.114
26 1HB LYS 4 HB1 LYS 4 15.216 10.385 -5.903
27 2HB LYS 4 HB2 LYS 4 16.859 10.777 -6.539
28 1HG LYS 4 HG1 LYS 4 15.899 12.928 -7.368
29 2HG LYS 4 HG2 LYS 4 14.291 12.380 -6.824
30 1HD LYS 4 HD1 LYS 4 15.966 11.996 -4.549
31 2HD LYS 4 HD2 LYS 4 16.474 13.531 -5.267
32 1HE LYS 4 HE1 LYS 4 14.027 14.228 -5.320
33 2HE LYS 4 HE2 LYS 4 13.607 12.729 -4.507
34 1HZ LYS 4 HZ1 LYS 4 14.055 14.918 -3.158
35 2HZ LYS 4 HZ2 LYS 4 14.320 13.500 -2.574
36 3HZ LYS 4 HZ3 LYS 4 15.609 14.359 -3.206
37 HA PRO 5 HA PRO 5 11.502 9.275 -9.024
38 1HB PRO 5 HB1 PRO 5 10.475 7.643 -6.980
39 2HB PRO 5 HB2 PRO 5 11.305 7.085 -8.453
40 1HG PRO 5 HG1 PRO 5 12.305 7.136 -5.664
41 2HG PRO 5 HG2 PRO 5 12.849 6.152 -7.058
42 1HD PRO 5 HD1 PRO 5 13.952 8.538 -5.984
43 2HD PRO 5 HD2 PRO 5 14.492 7.591 -7.452
44 H ASP 6 H ASP 6 9.419 9.843 -8.146
45 HA ASP 6 HA ASP 6 9.383 11.707 -5.801
46 1HB ASP 6 HB1 ASP 6 7.866 11.890 -8.329
47 2HB ASP 6 HB2 ASP 6 7.798 13.094 -7.049
48 H ASN 7 H ASN 7 7.139 9.952 -8.107
49 HA ASN 7 HA ASN 7 6.143 8.356 -5.944
50 1HB ASN 7 HB1 ASN 7 5.018 11.141 -5.992
51 2HB ASN 7 HB2 ASN 7 3.850 9.763 -5.943
52 1HD2 ASN 7 HD2 ASN 7 4.428 11.758 -3.889
53 2HD2 ASN 7 HD2 ASN 7 4.725 10.763 -2.494
54 HA PRO 8 HA PRO 8 4.692 7.436 -10.109
55 1HB PRO 8 HB1 PRO 8 4.743 4.623 -9.734
56 2HB PRO 8 HB2 PRO 8 6.141 5.619 -10.239
57 1HG PRO 8 HG1 PRO 8 5.781 4.337 -7.682
58 2HG PRO 8 HG2 PRO 8 7.266 4.952 -8.486
59 1HD PRO 8 HD1 PRO 8 5.699 6.196 -6.438
60 2HD PRO 8 HD2 PRO 8 7.154 6.863 -7.275
61 H GLY 9 H GLY 9 2.766 6.183 -10.868
62 1HA GLY 9 HA1 GLY 9 0.438 6.810 -9.753
63 2HA GLY 9 HA2 GLY 9 0.632 5.320 -10.722
64 H GLU 10 H GLU 10 -0.548 6.433 -7.791
65 HA GLU 10 HA GLU 10 -0.400 3.767 -6.574
66 1HB GLU 10 HB1 GLU 10 0.236 4.810 -4.410
67 2HB GLU 10 HB2 GLU 10 1.527 4.857 -5.631
68 1HG GLU 10 HG1 GLU 10 0.908 7.285 -6.063
69 2HG GLU 10 HG2 GLU 10 -0.205 7.184 -4.700
70 H ASP 11 H ASP 11 -2.449 3.294 -6.388
71 HA ASP 11 HA ASP 11 -4.239 4.856 -4.754
72 1HB ASP 11 HB1 ASP 11 -5.882 5.404 -6.429
73 2HB ASP 11 HB2 ASP 11 -4.416 6.254 -6.813
74 H ALA 12 H ALA 12 -4.183 2.791 -3.679
75 HA ALA 12 HA ALA 12 -6.372 1.219 -4.597
76 1HB ALA 12 HB1 ALA 12 -4.480 -0.897 -4.818
77 2HB ALA 12 HB2 ALA 12 -5.418 -0.148 -6.124
78 3HB ALA 12 HB3 ALA 12 -3.785 0.438 -5.739
79 HA PRO 13 HA PRO 13 -5.933 0.116 -0.373
80 1HB PRO 13 HB1 PRO 13 -7.395 -2.293 -0.277
81 2HB PRO 13 HB2 PRO 13 -8.066 -0.641 -0.269
82 1HG PRO 13 HG1 PRO 13 -8.073 -2.640 -2.470
83 2HG PRO 13 HG2 PRO 13 -9.114 -1.207 -2.228
84 1HD PRO 13 HD1 PRO 13 -6.848 -1.470 -3.970
85 2HD PRO 13 HD2 PRO 13 -7.849 -0.017 -3.615
86 H ALA 14 H ALA 14 -4.398 -0.989 0.814
87 HA ALA 14 HA ALA 14 -2.955 -2.507 1.513
88 1HB ALA 14 HB1 ALA 14 -3.427 -4.702 1.211
89 2HB ALA 14 HB2 ALA 14 -4.687 -4.254 0.051
90 3HB ALA 14 HB3 ALA 14 -3.048 -4.579 -0.535
91 H GLU 15 H GLU 15 -3.010 -2.480 -2.060
92 HA GLU 15 HA GLU 15 -0.389 -2.733 -2.650
93 1HB GLU 15 HB1 GLU 15 -2.432 -2.318 -4.211
94 2HB GLU 15 HB2 GLU 15 -2.055 -0.594 -4.004
95 1HG GLU 15 HG1 GLU 15 -0.530 -0.818 -5.661
96 2HG GLU 15 HG2 GLU 15 0.431 -1.855 -4.615
97 H ASP 16 H ASP 16 -1.959 0.109 -1.388
98 HA ASP 16 HA ASP 16 0.209 1.938 -1.609
99 1HB ASP 16 HB1 ASP 16 -2.505 1.956 -0.650
100 2HB ASP 16 HB2 ASP 16 -1.442 2.166 0.809
101 H LEU 17 H LEU 17 -0.829 -0.215 1.026
102 HA LEU 17 HA LEU 17 1.305 0.467 2.789
103 1HB LEU 17 HB1 LEU 17 0.223 -1.128 4.164
104 2HB LEU 17 HB2 LEU 17 -0.973 -1.133 2.910
105 HG LEU 17 HG LEU 17 0.530 -3.103 1.934
106 1HD1 LEU 17 HD1 LEU 17 2.424 -2.498 3.699
107 2HD1 LEU 17 HD1 LEU 17 1.418 -3.386 4.846
108 3HD1 LEU 17 HD1 LEU 17 2.073 -4.173 3.375
109 1HD2 LEU 17 HD2 LEU 17 -0.748 -3.868 4.537
110 2HD2 LEU 17 HD2 LEU 17 -1.736 -3.187 3.241
111 3HD2 LEU 17 HD2 LEU 17 -0.766 -4.636 2.917
112 H ALA 18 H ALA 18 1.121 -1.755 0.122
113 HA ALA 18 HA ALA 18 3.738 -2.940 0.661
114 1HB ALA 18 HB1 ALA 18 3.613 -3.618 -1.747
115 2HB ALA 18 HB2 ALA 18 2.146 -4.031 -0.794
116 3HB ALA 18 HB3 ALA 18 2.135 -2.639 -1.899
117 H ARG 19 H ARG 19 2.865 0.219 -0.248
118 HA ARG 19 HA ARG 19 5.184 0.878 -1.846
119 1HB ARG 19 HB1 ARG 19 2.794 2.036 -1.629
120 2HB ARG 19 HB2 ARG 19 3.562 2.923 -0.324
121 1HG ARG 19 HG1 ARG 19 4.352 4.304 -1.871
122 2HG ARG 19 HG2 ARG 19 5.504 3.050 -2.314
123 1HD ARG 19 HD1 ARG 19 2.632 3.052 -3.476
124 2HD ARG 19 HD2 ARG 19 3.757 4.199 -4.088
125 HE ARG 19 HE ARG 19 3.692 1.333 -4.523
126 1HH1 ARG 19 HH1 ARG 19 6.749 1.327 -6.331
127 2HH1 ARG 19 HH1 ARG 19 5.328 0.447 -5.885
128 1HH2 ARG 19 HH2 ARG 19 7.026 3.553 -5.411
129 2HH2 ARG 19 HH2 ARG 19 5.765 4.212 -4.474
130 H TYR 20 H TYR 20 4.120 1.395 1.512
131 HA TYR 20 HA TYR 20 6.464 2.836 2.374
132 1HB TYR 20 HB1 TYR 20 5.505 2.861 4.262
133 2HB TYR 20 HB2 TYR 20 4.049 2.393 3.383
134 HD1 TYR 20 HD1 TYR 20 6.695 1.230 5.723
135 HD2 TYR 20 HD2 TYR 20 2.791 0.579 4.183
136 HE1 TYR 20 HE1 TYR 20 6.441 -0.815 7.157
137 HE2 TYR 20 HE2 TYR 20 2.571 -1.484 5.589
138 HH TYR 20 HH TYR 20 4.764 -3.247 6.636
139 H TYR 21 H TYR 21 5.675 -0.478 1.883
140 HA TYR 21 HA TYR 21 7.511 -1.675 3.674
141 1HB TYR 21 HB1 TYR 21 5.451 -2.523 2.018
142 2HB TYR 21 HB2 TYR 21 6.850 -3.035 1.038
143 HD1 TYR 21 HD1 TYR 21 7.129 -5.353 1.288
144 HD2 TYR 21 HD2 TYR 21 5.981 -2.969 4.723
145 HE1 TYR 21 HE1 TYR 21 7.320 -7.314 2.739
146 HE2 TYR 21 HE2 TYR 21 5.818 -4.919 6.046
147 HH TYR 21 HH TYR 21 6.316 -8.233 4.992
148 H SER 22 H SER 22 7.743 -0.777 0.216
149 HA SER 22 HA SER 22 10.169 -1.846 -0.319
150 1HB SER 22 HB1 SER 22 8.652 0.509 -1.362
151 2HB SER 22 HB2 SER 22 10.321 0.347 -1.910
152 HG SER 22 HG SER 22 9.361 -0.968 -3.313
153 H ALA 23 H ALA 23 9.377 1.281 1.132
154 HA ALA 23 HA ALA 23 12.094 2.294 1.230
155 1HB ALA 23 HB1 ALA 23 10.352 3.280 3.313
156 2HB ALA 23 HB2 ALA 23 11.009 4.155 1.897
157 3HB ALA 23 HB3 ALA 23 9.461 3.279 1.807
158 H LEU 24 H LEU 24 9.942 0.477 3.421
159 HA LEU 24 HA LEU 24 11.833 0.446 5.566
160 1HB LEU 24 HB1 LEU 24 9.349 -1.135 4.811
161 2HB LEU 24 HB2 LEU 24 10.457 -1.947 5.881
162 HG LEU 24 HG LEU 24 8.807 0.501 6.297
163 1HD1 LEU 24 HD1 LEU 24 8.361 -1.797 6.902
164 2HD1 LEU 24 HD1 LEU 24 9.655 -1.824 8.129
165 3HD1 LEU 24 HD1 LEU 24 8.261 -0.781 8.355
166 1HD2 LEU 24 HD2 LEU 24 10.697 1.555 7.019
167 2HD2 LEU 24 HD2 LEU 24 10.091 0.819 8.528
168 3HD2 LEU 24 HD2 LEU 24 11.427 0.010 7.675
169 H ARG 25 H ARG 25 11.422 -1.518 2.678
170 HA ARG 25 HA ARG 25 13.394 -3.495 3.601
171 1HB ARG 25 HB1 ARG 25 12.154 -4.121 1.724
172 2HB ARG 25 HB2 ARG 25 12.335 -2.603 0.832
173 1HG ARG 25 HG1 ARG 25 14.470 -2.810 0.248
174 2HG ARG 25 HG2 ARG 25 14.895 -4.150 1.390
175 1HD ARG 25 HD1 ARG 25 13.249 -5.608 0.127
176 2HD ARG 25 HD2 ARG 25 13.226 -4.356 -1.109
177 HE ARG 25 HE ARG 25 15.370 -5.161 -1.741
178 1HH1 ARG 25 HH1 ARG 25 17.481 -7.575 -0.269
179 2HH1 ARG 25 HH1 ARG 25 17.197 -6.474 -1.562
180 1HH2 ARG 25 HH2 ARG 25 15.899 -7.513 1.572
181 2HH2 ARG 25 HH2 ARG 25 14.531 -6.476 1.412
182 H HIS 26 H HIS 26 13.817 -0.534 1.565
183 HA HIS 26 HA HIS 26 16.546 -0.810 1.143
184 1HB HIS 26 HB1 HIS 26 14.903 0.992 0.313
185 2HB HIS 26 HB2 HIS 26 15.151 1.808 1.898
186 HD1 HIS 26 HD1 HIS 26 17.759 0.188 -0.400
187 HD2 HIS 26 HD2 HIS 26 16.696 3.824 1.382
188 HE1 HIS 26 HE1 HIS 26 19.620 1.910 -0.926
189 H TYR 27 H TYR 27 14.893 0.585 3.918
190 HA TYR 27 HA TYR 27 17.187 1.323 5.478
191 1HB TYR 27 HB1 TYR 27 14.279 1.126 5.857
192 2HB TYR 27 HB2 TYR 27 15.226 0.810 7.331
193 HD1 TYR 27 HD1 TYR 27 14.231 3.383 4.991
194 HD2 TYR 27 HD2 TYR 27 16.849 2.366 8.267
195 HE1 TYR 27 HE1 TYR 27 14.575 5.782 5.460
196 HE2 TYR 27 HE2 TYR 27 17.180 4.755 8.760
197 HH TYR 27 HH TYR 27 16.383 6.971 8.297
198 H ILE 28 H ILE 28 14.802 -1.226 6.245
199 HA ILE 28 HA ILE 28 16.326 -2.640 8.030
200 HB ILE 28 HB ILE 28 14.330 -3.726 6.120
201 1HG1 ILE 28 1HG1 ILE 28 14.191 -2.621 8.925
202 2HG1 ILE 28 2HG1 ILE 28 13.371 -1.972 7.541
203 1HG2 ILE 28 1HG2 ILE 28 14.761 -5.790 6.981
204 2HG2 ILE 28 2HG2 ILE 28 16.058 -5.186 8.023
205 3HG2 ILE 28 3HG2 ILE 28 14.428 -5.201 8.624
206 1HD1 ILE 28 1HD1 ILE 28 12.474 -4.689 7.727
207 2HD1 ILE 28 2HD1 ILE 28 12.422 -3.958 9.357
208 3HD1 ILE 28 3HD1 ILE 28 11.575 -3.206 7.981
209 H ASN 29 H ASN 29 16.745 -2.560 4.575
210 HA ASN 29 HA ASN 29 18.421 -4.956 4.226
211 1HB ASN 29 HB1 ASN 29 17.337 -4.069 2.323
212 2HB ASN 29 HB2 ASN 29 17.845 -2.420 2.662
213 1HD2 ASN 29 HD2 ASN 29 19.522 -1.597 1.522
214 2HD2 ASN 29 HD2 ASN 29 20.772 -2.651 0.847
215 H LEU 30 H LEU 30 19.011 -1.445 4.448
216 HA LEU 30 HA LEU 30 21.884 -1.896 4.563
217 1HB LEU 30 HB1 LEU 30 22.204 0.356 4.831
218 2HB LEU 30 HB2 LEU 30 21.076 -0.067 3.471
219 HG LEU 30 HG LEU 30 19.222 0.557 4.917
220 1HD1 LEU 30 HD1 LEU 30 19.473 1.155 7.073
221 2HD1 LEU 30 HD1 LEU 30 21.273 1.119 6.901
222 3HD1 LEU 30 HD1 LEU 30 20.360 2.584 6.579
223 1HD2 LEU 30 HD2 LEU 30 20.226 2.019 3.045
224 2HD2 LEU 30 HD2 LEU 30 19.076 2.611 4.238
225 3HD2 LEU 30 HD2 LEU 30 20.742 3.082 4.425
226 H ILE 31 H ILE 31 19.486 -0.872 6.875
227 HA ILE 31 HA ILE 31 20.955 -0.440 9.059
228 HB ILE 31 HB ILE 31 18.208 -0.649 8.498
229 1HG1 ILE 31 1HG1 ILE 31 19.575 0.791 10.228
230 2HG1 ILE 31 2HG1 ILE 31 17.827 0.567 10.283
231 1HG2 ILE 31 1HG2 ILE 31 17.149 -2.158 10.092
232 2HG2 ILE 31 2HG2 ILE 31 18.168 -3.010 8.926
233 3HG2 ILE 31 3HG2 ILE 31 18.730 -2.826 10.573
234 1HD1 ILE 31 1HD1 ILE 31 19.051 0.250 12.512
235 2HD1 ILE 31 2HD1 ILE 31 18.035 -1.114 12.039
236 3HD1 ILE 31 3HD1 ILE 31 19.810 -1.185 11.790
237 H THR 32 H THR 32 19.917 -3.536 7.672
238 HA THR 32 HA THR 32 20.979 -5.105 9.843
239 HB THR 32 HB THR 32 20.705 -6.994 8.113
240 HG1 THR 32 HG1 THR 32 19.454 -6.121 6.262
241 1HG2 THR 32 1HG2 THR 32 18.463 -5.166 9.078
242 2HG2 THR 32 2HG2 THR 32 18.081 -6.510 7.975
243 3HG2 THR 32 3HG2 THR 32 18.812 -6.810 9.569
244 H ARG 33 H ARG 33 22.099 -3.930 6.618
245 HA ARG 33 HA ARG 33 24.319 -5.428 6.244
246 1HB ARG 33 HB1 ARG 33 23.397 -3.065 5.302
247 2HB ARG 33 HB2 ARG 33 24.922 -2.520 5.936
248 1HG ARG 33 HG1 ARG 33 26.078 -3.798 4.398
249 2HG ARG 33 HG2 ARG 33 24.731 -4.912 4.145
250 1HD ARG 33 HD1 ARG 33 23.620 -3.759 2.631
251 2HD ARG 33 HD2 ARG 33 23.933 -2.213 3.399
252 HE ARG 33 HE ARG 33 25.517 -1.789 1.989
253 1HH1 ARG 33 HH1 ARG 33 27.886 -3.835 0.267
254 2HH1 ARG 33 HH1 ARG 33 27.259 -2.222 0.555
255 1HH2 ARG 33 HH2 ARG 33 26.752 -5.641 1.355
256 2HH2 ARG 33 HH2 ARG 33 25.384 -5.154 2.262
257 H GLN 34 H GLN 34 24.156 -2.637 8.414
258 HA GLN 34 HA GLN 34 26.827 -3.052 9.470
259 1HB GLN 34 HB1 GLN 34 24.605 -1.198 10.328
260 2HB GLN 34 HB2 GLN 34 26.244 -1.220 11.019
261 1HG GLN 34 HG1 GLN 34 27.159 -0.186 9.311
262 2HG GLN 34 HG2 GLN 34 26.250 -1.018 8.059
263 1HE2 GLN 34 1HE2 GLN 34 26.468 1.994 9.753
264 2HE2 GLN 34 2HE2 GLN 34 24.957 2.631 9.146
265 H ARG 35 H ARG 35 23.479 -3.021 10.908
266 HA ARG 35 HA ARG 35 24.395 -4.289 13.325
267 1HB ARG 35 HB1 ARG 35 21.898 -3.521 12.121
268 2HB ARG 35 HB2 ARG 35 21.653 -5.154 12.653
269 1HG ARG 35 HG1 ARG 35 22.322 -4.491 14.908
270 2HG ARG 35 HG2 ARG 35 22.738 -2.851 14.258
271 1HD ARG 35 HD1 ARG 35 20.501 -2.399 13.571
272 2HD ARG 35 HD2 ARG 35 19.915 -3.963 14.169
273 HE ARG 35 HE ARG 35 20.456 -1.510 15.652
274 1HH1 ARG 35 HH1 ARG 35 20.191 -3.012 18.830
275 2HH1 ARG 35 HH1 ARG 35 20.277 -1.523 17.982
276 1HH2 ARG 35 HH2 ARG 35 20.410 -5.051 17.617
277 2HH2 ARG 35 HH2 ARG 35 20.574 -5.003 15.925
278 H TYR 36 H TYR 36 22.636 -6.002 10.717
279 HA TYR 36 HA TYR 36 23.662 -8.562 11.771
280 1HB TYR 36 HB1 TYR 36 21.439 -7.558 10.103
281 2HB TYR 36 HB2 TYR 36 22.124 -9.060 9.568
282 HD1 TYR 36 HD1 TYR 36 20.113 -7.396 12.131
283 HD2 TYR 36 HD2 TYR 36 21.989 -11.093 11.003
284 HE1 TYR 36 HE1 TYR 36 18.909 -8.535 13.910
285 HE2 TYR 36 HE2 TYR 36 20.598 -12.294 12.629
286 HH TYR 36 HH TYR 36 19.515 -11.678 14.894
287 1HN NH2 37 HN1 NH2 237 24.026 -10.143 9.768
288 2HN NH2 37 HN2 NH2 237 25.260 -9.540 8.667
Start of MODEL 4
1 1H TYR 1 HN1 TYR 1 -16.546 16.952 -6.625
2 2H TYR 1 HN2 TYR 1 -16.373 16.251 -8.118
3 3H TYR 1 HN3 TYR 1 -17.893 16.444 -7.456
4 HA TYR 1 HA TYR 1 -16.681 15.262 -5.443
5 1HB TYR 1 HB1 TYR 1 -18.555 14.420 -7.590
6 2HB TYR 1 HB2 TYR 1 -17.733 13.090 -6.780
7 HD1 TYR 1 HD1 TYR 1 -20.498 15.354 -6.381
8 HD2 TYR 1 HD2 TYR 1 -17.649 12.886 -4.316
9 HE1 TYR 1 HE1 TYR 1 -22.028 15.221 -4.388
10 HE2 TYR 1 HE2 TYR 1 -19.194 12.657 -2.416
11 HH TYR 1 HH TYR 1 -22.608 13.661 -2.819
12 HA PRO 2 HA PRO 2 -14.143 12.188 -7.558
13 1HB PRO 2 HB1 PRO 2 -13.584 12.132 -10.313
14 2HB PRO 2 HB2 PRO 2 -14.792 11.166 -9.508
15 1HG PRO 2 HG1 PRO 2 -15.204 13.469 -11.234
16 2HG PRO 2 HG2 PRO 2 -16.325 12.187 -10.727
17 1HD PRO 2 HD1 PRO 2 -16.283 14.893 -9.617
18 2HD PRO 2 HD2 PRO 2 -17.243 13.502 -9.060
19 H SER 3 H SER 3 -12.452 13.229 -6.509
20 HA SER 3 HA SER 3 -10.900 15.270 -7.977
21 1HB SER 3 HB1 SER 3 -11.546 14.839 -5.158
22 2HB SER 3 HB2 SER 3 -9.781 15.005 -5.399
23 HG SER 3 HG SER 3 -11.061 16.963 -5.007
24 H LYS 4 H LYS 4 -10.255 12.300 -6.075
25 HA LYS 4 HA LYS 4 -8.631 10.912 -7.772
26 1HB LYS 4 HB1 LYS 4 -7.133 13.204 -6.668
27 2HB LYS 4 HB2 LYS 4 -6.370 11.653 -6.366
28 1HG LYS 4 HG1 LYS 4 -7.411 12.011 -9.147
29 2HG LYS 4 HG2 LYS 4 -6.033 13.029 -8.712
30 1HD LYS 4 HD1 LYS 4 -4.572 11.256 -8.587
31 2HD LYS 4 HD2 LYS 4 -5.752 10.172 -7.858
32 1HE LYS 4 HE1 LYS 4 -5.075 9.394 -10.051
33 2HE LYS 4 HE2 LYS 4 -6.809 9.700 -10.000
34 1HZ LYS 4 HZ1 LYS 4 -6.507 11.604 -11.422
35 2HZ LYS 4 HZ2 LYS 4 -4.909 11.687 -11.060
36 3HZ LYS 4 HZ3 LYS 4 -5.488 10.487 -12.027
37 HA PRO 5 HA PRO 5 -7.985 9.251 -3.386
38 1HB PRO 5 HB1 PRO 5 -8.693 10.736 -1.228
39 2HB PRO 5 HB2 PRO 5 -7.079 10.791 -1.898
40 1HG PRO 5 HG1 PRO 5 -9.240 12.819 -2.050
41 2HG PRO 5 HG2 PRO 5 -7.476 13.026 -2.246
42 1HD PRO 5 HD1 PRO 5 -9.477 12.836 -4.338
43 2HD PRO 5 HD2 PRO 5 -7.731 12.973 -4.574
44 H ASP 6 H ASP 6 -9.762 8.236 -4.544
45 HA ASP 6 HA ASP 6 -12.371 8.611 -3.219
46 1HB ASP 6 HB1 ASP 6 -12.103 8.673 -5.827
47 2HB ASP 6 HB2 ASP 6 -11.947 6.936 -5.724
48 H ASN 7 H ASN 7 -11.803 7.474 -1.326
49 HA ASN 7 HA ASN 7 -12.162 4.794 -1.309
50 1HB ASN 7 HB1 ASN 7 -9.420 5.106 -1.988
51 2HB ASN 7 HB2 ASN 7 -9.408 4.708 -0.255
52 1HD2 ASN 7 HD2 ASN 7 -9.028 2.503 -0.131
53 2HD2 ASN 7 HD2 ASN 7 -9.827 1.307 -1.109
54 HA PRO 8 HA PRO 8 -12.684 5.938 2.989
55 1HB PRO 8 HB1 PRO 8 -12.812 3.478 4.268
56 2HB PRO 8 HB2 PRO 8 -14.153 4.200 3.355
57 1HG PRO 8 HG1 PRO 8 -12.358 1.947 2.580
58 2HG PRO 8 HG2 PRO 8 -14.003 2.345 2.004
59 1HD PRO 8 HD1 PRO 8 -11.583 2.820 0.620
60 2HD PRO 8 HD2 PRO 8 -13.149 3.458 0.169
61 H GLY 9 H GLY 9 -10.332 3.263 2.599
62 1HA GLY 9 HA1 GLY 9 -8.743 4.214 4.918
63 2HA GLY 9 HA2 GLY 9 -8.407 2.879 3.810
64 H GLU 10 H GLU 10 -6.674 3.195 2.686
65 HA GLU 10 HA GLU 10 -6.034 5.799 1.404
66 1HB GLU 10 HB1 GLU 10 -4.240 3.949 2.994
67 2HB GLU 10 HB2 GLU 10 -3.603 5.107 1.859
68 1HG GLU 10 HG1 GLU 10 -5.487 6.477 3.597
69 2HG GLU 10 HG2 GLU 10 -4.394 5.514 4.615
70 H ASP 11 H ASP 11 -7.010 4.709 -0.438
71 HA ASP 11 HA ASP 11 -6.878 4.029 -2.482
72 1HB ASP 11 HB1 ASP 11 -4.375 4.409 -2.002
73 2HB ASP 11 HB2 ASP 11 -4.224 2.650 -1.990
74 H ALA 12 H ALA 12 -5.533 1.694 -0.323
75 HA ALA 12 HA ALA 12 -7.667 -0.168 -0.370
76 1HB ALA 12 HB1 ALA 12 -5.545 -1.736 -1.652
77 2HB ALA 12 HB2 ALA 12 -7.272 -1.583 -2.053
78 3HB ALA 12 HB3 ALA 12 -6.097 -0.403 -2.667
79 HA PRO 13 HA PRO 13 -5.328 -1.414 3.224
80 1HB PRO 13 HB1 PRO 13 -6.235 -3.960 3.686
81 2HB PRO 13 HB2 PRO 13 -7.177 -2.527 4.111
82 1HG PRO 13 HG1 PRO 13 -7.581 -4.423 1.856
83 2HG PRO 13 HG2 PRO 13 -8.771 -3.377 2.596
84 1HD PRO 13 HD1 PRO 13 -7.440 -2.887 0.136
85 2HD PRO 13 HD2 PRO 13 -8.434 -1.733 1.029
86 H ALA 14 H ALA 14 -3.296 -2.242 3.531
87 HA ALA 14 HA ALA 14 -1.527 -3.622 3.500
88 1HB ALA 14 HB1 ALA 14 -1.386 -5.708 2.486
89 2HB ALA 14 HB2 ALA 14 -3.056 -5.652 3.082
90 3HB ALA 14 HB3 ALA 14 -2.692 -5.418 1.352
91 H GLU 15 H GLU 15 -2.998 -3.240 0.255
92 HA GLU 15 HA GLU 15 -0.798 -3.007 -1.273
93 1HB GLU 15 HB1 GLU 15 -3.560 -2.574 -1.533
94 2HB GLU 15 HB2 GLU 15 -2.882 -1.002 -2.002
95 1HG GLU 15 HG1 GLU 15 -1.280 -2.379 -3.514
96 2HG GLU 15 HG2 GLU 15 -2.445 -3.690 -3.275
97 H ASP 16 H ASP 16 -2.335 -0.431 0.709
98 HA ASP 16 HA ASP 16 -0.461 1.522 0.055
99 1HB ASP 16 HB1 ASP 16 -2.675 1.689 1.550
100 2HB ASP 16 HB2 ASP 16 -1.590 1.330 2.958
101 H LEU 17 H LEU 17 -0.405 -0.689 2.850
102 HA LEU 17 HA LEU 17 1.971 0.183 4.010
103 1HB LEU 17 HB1 LEU 17 1.262 -1.265 5.522
104 2HB LEU 17 HB2 LEU 17 0.052 -1.849 4.393
105 HG LEU 17 HG LEU 17 1.575 -3.553 3.545
106 1HD1 LEU 17 HD1 LEU 17 3.515 -2.136 5.330
107 2HD1 LEU 17 HD1 LEU 17 3.559 -3.916 5.411
108 3HD1 LEU 17 HD1 LEU 17 3.838 -3.113 3.888
109 1HD2 LEU 17 HD2 LEU 17 0.919 -5.006 5.158
110 2HD2 LEU 17 HD2 LEU 17 1.638 -4.076 6.495
111 3HD2 LEU 17 HD2 LEU 17 0.090 -3.617 5.831
112 H ALA 18 H ALA 18 1.409 -2.039 1.337
113 HA ALA 18 HA ALA 18 3.909 -3.264 1.019
114 1HB ALA 18 HB1 ALA 18 2.038 -4.146 -0.087
115 2HB ALA 18 HB2 ALA 18 1.720 -2.639 -0.955
116 3HB ALA 18 HB3 ALA 18 3.173 -3.577 -1.339
117 H ARG 19 H ARG 19 2.679 -0.103 -0.039
118 HA ARG 19 HA ARG 19 4.854 0.651 -1.656
119 1HB ARG 19 HB1 ARG 19 2.526 1.542 -1.313
120 2HB ARG 19 HB2 ARG 19 3.152 2.551 -0.018
121 1HG ARG 19 HG1 ARG 19 4.170 2.470 -2.895
122 2HG ARG 19 HG2 ARG 19 3.078 3.678 -2.254
123 1HD ARG 19 HD1 ARG 19 5.003 3.934 -0.361
124 2HD ARG 19 HD2 ARG 19 6.016 3.200 -1.586
125 HE ARG 19 HE ARG 19 6.021 5.189 -2.768
126 1HH1 ARG 19 HH1 ARG 19 3.859 7.955 -2.664
127 2HH1 ARG 19 HH1 ARG 19 5.338 7.341 -3.284
128 1HH2 ARG 19 HH2 ARG 19 2.454 6.472 -1.315
129 2HH2 ARG 19 HH2 ARG 19 3.228 5.085 -0.650
130 H TYR 20 H TYR 20 4.025 1.550 1.745
131 HA TYR 20 HA TYR 20 6.446 2.754 2.390
132 1HB TYR 20 HB1 TYR 20 4.658 3.207 3.790
133 2HB TYR 20 HB2 TYR 20 4.138 1.535 3.884
134 HD1 TYR 20 HD1 TYR 20 7.104 3.649 4.882
135 HD2 TYR 20 HD2 TYR 20 4.583 0.291 5.782
136 HE1 TYR 20 HE1 TYR 20 8.313 3.321 7.060
137 HE2 TYR 20 HE2 TYR 20 5.749 0.029 7.974
138 HH TYR 20 HH TYR 20 8.349 2.115 9.089
139 H TYR 21 H TYR 21 5.574 -0.561 2.189
140 HA TYR 21 HA TYR 21 7.584 -1.790 3.684
141 1HB TYR 21 HB1 TYR 21 5.536 -2.682 2.119
142 2HB TYR 21 HB2 TYR 21 6.868 -3.169 1.114
143 HD1 TYR 21 HD1 TYR 21 8.779 -3.813 3.632
144 HD2 TYR 21 HD2 TYR 21 4.748 -4.836 2.541
145 HE1 TYR 21 HE1 TYR 21 8.867 -5.792 5.154
146 HE2 TYR 21 HE2 TYR 21 4.818 -6.756 4.154
147 HH TYR 21 HH TYR 21 6.530 -8.283 4.816
148 H SER 22 H SER 22 7.711 -0.761 0.187
149 HA SER 22 HA SER 22 10.142 -1.847 -0.336
150 1HB SER 22 HB1 SER 22 8.547 -0.699 -1.958
151 2HB SER 22 HB2 SER 22 9.274 0.832 -1.428
152 HG SER 22 HG SER 22 10.436 0.269 -3.212
153 H ALA 23 H ALA 23 9.381 1.307 1.097
154 HA ALA 23 HA ALA 23 12.113 2.340 1.129
155 1HB ALA 23 HB1 ALA 23 11.170 4.015 2.732
156 2HB ALA 23 HB2 ALA 23 10.222 3.888 1.241
157 3HB ALA 23 HB3 ALA 23 9.636 3.116 2.731
158 H LEU 24 H LEU 24 9.921 0.708 3.529
159 HA LEU 24 HA LEU 24 11.816 0.489 5.555
160 1HB LEU 24 HB1 LEU 24 9.531 -1.310 4.781
161 2HB LEU 24 HB2 LEU 24 10.711 -1.829 5.984
162 HG LEU 24 HG LEU 24 8.704 0.362 6.226
163 1HD1 LEU 24 HD1 LEU 24 9.524 -1.485 8.453
164 2HD1 LEU 24 HD1 LEU 24 7.913 -0.900 7.999
165 3HD1 LEU 24 HD1 LEU 24 8.666 -2.199 7.061
166 1HD2 LEU 24 HD2 LEU 24 11.357 0.167 7.688
167 2HD2 LEU 24 HD2 LEU 24 10.618 1.581 6.869
168 3HD2 LEU 24 HD2 LEU 24 9.917 0.944 8.366
169 H ARG 25 H ARG 25 11.438 -1.629 2.694
170 HA ARG 25 HA ARG 25 13.349 -3.452 3.620
171 1HB ARG 25 HB1 ARG 25 12.153 -4.177 1.597
172 2HB ARG 25 HB2 ARG 25 12.277 -2.630 0.813
173 1HG ARG 25 HG1 ARG 25 14.662 -2.916 0.419
174 2HG ARG 25 HG2 ARG 25 14.663 -4.472 1.301
175 1HD ARG 25 HD1 ARG 25 13.401 -5.494 -0.529
176 2HD ARG 25 HD2 ARG 25 12.845 -3.906 -1.056
177 HE ARG 25 HE ARG 25 14.619 -3.572 -2.359
178 1HH1 ARG 25 HH1 ARG 25 17.705 -5.195 -2.718
179 2HH1 ARG 25 HH1 ARG 25 16.631 -3.983 -3.339
180 1HH2 ARG 25 HH2 ARG 25 17.040 -6.427 -0.738
181 2HH2 ARG 25 HH2 ARG 25 15.492 -6.040 -0.040
182 H HIS 26 H HIS 26 13.745 -0.447 1.640
183 HA HIS 26 HA HIS 26 16.453 -0.902 1.190
184 1HB HIS 26 HB1 HIS 26 14.951 1.010 0.239
185 2HB HIS 26 HB2 HIS 26 15.204 1.841 1.731
186 HD1 HIS 26 HD1 HIS 26 17.902 0.094 -0.469
187 HD2 HIS 26 HD2 HIS 26 16.787 3.796 1.198
188 HE1 HIS 26 HE1 HIS 26 19.751 1.761 -1.064
189 H TYR 27 H TYR 27 14.820 0.748 3.930
190 HA TYR 27 HA TYR 27 17.179 1.246 5.440
191 1HB TYR 27 HB1 TYR 27 14.234 1.124 5.969
192 2HB TYR 27 HB2 TYR 27 15.262 0.797 7.333
193 HD1 TYR 27 HD1 TYR 27 14.152 3.375 4.948
194 HD2 TYR 27 HD2 TYR 27 16.952 2.485 8.090
195 HE1 TYR 27 HE1 TYR 27 14.525 5.821 5.332
196 HE2 TYR 27 HE2 TYR 27 17.216 4.936 8.550
197 HH TYR 27 HH TYR 27 16.167 7.095 8.193
198 H ILE 28 H ILE 28 14.800 -1.239 6.180
199 HA ILE 28 HA ILE 28 16.243 -2.541 7.961
200 HB ILE 28 HB ILE 28 14.206 -3.799 6.141
201 1HG1 ILE 28 1HG1 ILE 28 14.119 -2.735 8.969
202 2HG1 ILE 28 2HG1 ILE 28 13.432 -1.932 7.541
203 1HG2 ILE 28 1HG2 ILE 28 14.079 -5.610 7.820
204 2HG2 ILE 28 2HG2 ILE 28 15.710 -5.527 7.165
205 3HG2 ILE 28 3HG2 ILE 28 15.355 -4.826 8.762
206 1HD1 ILE 28 1HD1 ILE 28 11.893 -3.943 7.277
207 2HD1 ILE 28 2HD1 ILE 28 12.466 -4.509 8.865
208 3HD1 ILE 28 3HD1 ILE 28 11.627 -2.970 8.742
209 H ASN 29 H ASN 29 16.689 -2.823 4.555
210 HA ASN 29 HA ASN 29 18.502 -5.038 4.330
211 1HB ASN 29 HB1 ASN 29 17.407 -4.167 2.370
212 2HB ASN 29 HB2 ASN 29 17.912 -2.560 2.691
213 1HD2 ASN 29 HD2 ASN 29 19.736 -1.745 1.889
214 2HD2 ASN 29 HD2 ASN 29 20.914 -2.649 0.953
215 H LEU 30 H LEU 30 18.990 -1.541 4.577
216 HA LEU 30 HA LEU 30 21.890 -1.810 4.590
217 1HB LEU 30 HB1 LEU 30 22.134 0.503 4.663
218 2HB LEU 30 HB2 LEU 30 20.962 0.051 3.421
219 HG LEU 30 HG LEU 30 19.148 0.728 5.035
220 1HD1 LEU 30 HD1 LEU 30 20.401 2.736 6.534
221 2HD1 LEU 30 HD1 LEU 30 19.568 1.307 7.115
222 3HD1 LEU 30 HD1 LEU 30 21.327 1.285 6.883
223 1HD2 LEU 30 HD2 LEU 30 19.287 2.126 3.312
224 2HD2 LEU 30 HD2 LEU 30 19.844 3.280 4.519
225 3HD2 LEU 30 HD2 LEU 30 21.015 2.440 3.498
226 H ILE 31 H ILE 31 19.422 -1.061 6.974
227 HA ILE 31 HA ILE 31 21.004 -0.472 9.187
228 HB ILE 31 HB ILE 31 18.349 -0.561 8.523
229 1HG1 ILE 31 1HG1 ILE 31 19.584 0.855 10.220
230 2HG1 ILE 31 2HG1 ILE 31 17.860 0.553 10.351
231 1HG2 ILE 31 1HG2 ILE 31 17.171 -2.009 10.093
232 2HG2 ILE 31 2HG2 ILE 31 18.115 -2.959 8.970
233 3HG2 ILE 31 3HG2 ILE 31 18.703 -2.763 10.602
234 1HD1 ILE 31 1HD1 ILE 31 19.092 0.414 12.530
235 2HD1 ILE 31 2HD1 ILE 31 18.093 -0.988 12.138
236 3HD1 ILE 31 3HD1 ILE 31 19.864 -1.082 11.937
237 H THR 32 H THR 32 19.719 -3.629 7.857
238 HA THR 32 HA THR 32 20.978 -5.192 9.870
239 HB THR 32 HB THR 32 20.683 -7.083 8.225
240 HG1 THR 32 HG1 THR 32 20.865 -5.940 6.314
241 1HG2 THR 32 1HG2 THR 32 18.447 -5.292 9.175
242 2HG2 THR 32 2HG2 THR 32 18.080 -6.706 8.174
243 3HG2 THR 32 3HG2 THR 32 18.959 -6.898 9.704
244 H ARG 33 H ARG 33 22.105 -3.976 6.722
245 HA ARG 33 HA ARG 33 24.310 -5.428 6.306
246 1HB ARG 33 HB1 ARG 33 23.367 -3.131 5.347
247 2HB ARG 33 HB2 ARG 33 24.807 -2.501 5.936
248 1HG ARG 33 HG1 ARG 33 25.178 -3.145 3.648
249 2HG ARG 33 HG2 ARG 33 25.887 -4.460 4.531
250 1HD ARG 33 HD1 ARG 33 23.032 -4.975 4.183
251 2HD ARG 33 HD2 ARG 33 23.735 -4.595 2.646
252 HE ARG 33 HE ARG 33 24.093 -6.929 4.401
253 1HH1 ARG 33 HH1 ARG 33 26.393 -8.517 2.267
254 2HH1 ARG 33 HH1 ARG 33 25.392 -8.668 3.674
255 1HH2 ARG 33 HH2 ARG 33 26.438 -6.354 1.113
256 2HH2 ARG 33 HH2 ARG 33 25.487 -5.083 1.814
257 H GLN 34 H GLN 34 24.218 -2.659 8.453
258 HA GLN 34 HA GLN 34 26.859 -3.144 9.562
259 1HB GLN 34 HB1 GLN 34 24.616 -1.145 10.117
260 2HB GLN 34 HB2 GLN 34 25.998 -1.328 11.211
261 1HG GLN 34 HG1 GLN 34 27.164 -1.185 8.634
262 2HG GLN 34 HG2 GLN 34 25.904 0.038 8.589
263 1HE2 GLN 34 1HE2 GLN 34 26.130 1.898 10.106
264 2HE2 GLN 34 2HE2 GLN 34 27.627 2.114 10.994
265 H ARG 35 H ARG 35 23.484 -3.221 10.962
266 HA ARG 35 HA ARG 35 24.371 -4.173 13.424
267 1HB ARG 35 HB1 ARG 35 21.961 -3.335 12.331
268 2HB ARG 35 HB2 ARG 35 21.638 -5.038 12.627
269 1HG ARG 35 HG1 ARG 35 22.414 -4.591 15.052
270 2HG ARG 35 HG2 ARG 35 22.598 -2.900 14.605
271 1HD ARG 35 HD1 ARG 35 20.342 -2.483 14.434
272 2HD ARG 35 HD2 ARG 35 19.934 -4.095 13.893
273 HE ARG 35 HE ARG 35 19.832 -3.107 16.580
274 1HH1 ARG 35 HH1 ARG 35 19.622 -6.286 18.102
275 2HH1 ARG 35 HH1 ARG 35 19.447 -4.575 18.330
276 1HH2 ARG 35 HH2 ARG 35 20.345 -7.109 15.951
277 2HH2 ARG 35 HH2 ARG 35 20.616 -5.936 14.698
278 H TYR 36 H TYR 36 22.873 -6.044 10.796
279 HA TYR 36 HA TYR 36 23.593 -8.687 11.932
280 1HB TYR 36 HB1 TYR 36 21.452 -7.506 10.239
281 2HB TYR 36 HB2 TYR 36 22.038 -9.028 9.655
282 HD1 TYR 36 HD1 TYR 36 21.227 -11.029 10.566
283 HD2 TYR 36 HD2 TYR 36 20.786 -7.372 12.786
284 HE1 TYR 36 HE1 TYR 36 19.834 -12.224 12.274
285 HE2 TYR 36 HE2 TYR 36 19.365 -8.587 14.473
286 HH TYR 36 HH TYR 36 18.717 -12.060 14.262
287 1HN NH2 37 HN1 NH2 237 25.831 -7.868 11.466
288 2HN NH2 37 HN2 NH2 237 26.452 -8.111 9.844
Start of MODEL 5
1 1H TYR 1 HN1 TYR 1 -4.540 -17.042 -16.770
2 2H TYR 1 HN2 TYR 1 -5.187 -18.079 -17.906
3 3H TYR 1 HN3 TYR 1 -3.561 -17.886 -17.759
4 HA TYR 1 HA TYR 1 -4.401 -16.661 -19.680
5 1HB TYR 1 HB1 TYR 1 -6.044 -15.580 -17.508
6 2HB TYR 1 HB2 TYR 1 -5.282 -14.369 -18.516
7 HD1 TYR 1 HD1 TYR 1 -6.739 -13.459 -20.035
8 HD2 TYR 1 HD2 TYR 1 -7.064 -17.687 -19.260
9 HE1 TYR 1 HE1 TYR 1 -8.476 -13.668 -21.818
10 HE2 TYR 1 HE2 TYR 1 -8.804 -17.849 -21.053
11 HH TYR 1 HH TYR 1 -9.761 -16.843 -22.847
12 HA PRO 2 HA PRO 2 -0.562 -14.625 -18.732
13 1HB PRO 2 HB1 PRO 2 -0.571 -12.371 -20.371
14 2HB PRO 2 HB2 PRO 2 -0.212 -14.017 -20.925
15 1HG PRO 2 HG1 PRO 2 -2.641 -12.430 -21.434
16 2HG PRO 2 HG2 PRO 2 -2.004 -13.885 -22.282
17 1HD PRO 2 HD1 PRO 2 -4.126 -13.733 -20.294
18 2HD PRO 2 HD2 PRO 2 -3.505 -15.192 -21.126
19 H SER 3 H SER 3 0.342 -12.294 -18.066
20 HA SER 3 HA SER 3 -1.583 -11.152 -16.113
21 1HB SER 3 HB1 SER 3 0.594 -10.449 -15.021
22 2HB SER 3 HB2 SER 3 0.413 -12.205 -15.243
23 HG SER 3 HG SER 3 1.759 -10.605 -17.130
24 H LYS 4 H LYS 4 -1.211 -8.707 -15.797
25 HA LYS 4 HA LYS 4 -0.490 -7.370 -18.348
26 1HB LYS 4 HB1 LYS 4 -2.905 -7.400 -17.172
27 2HB LYS 4 HB2 LYS 4 -2.236 -5.972 -16.391
28 1HG LYS 4 HG1 LYS 4 -2.544 -4.737 -18.269
29 2HG LYS 4 HG2 LYS 4 -1.635 -5.863 -19.245
30 1HD LYS 4 HD1 LYS 4 -3.639 -6.196 -20.322
31 2HD LYS 4 HD2 LYS 4 -3.871 -7.357 -19.041
32 1HE LYS 4 HE1 LYS 4 -5.873 -6.103 -18.995
33 2HE LYS 4 HE2 LYS 4 -4.920 -5.421 -17.660
34 1HZ LYS 4 HZ1 LYS 4 -4.246 -3.649 -19.259
35 2HZ LYS 4 HZ2 LYS 4 -5.296 -4.260 -20.361
36 3HZ LYS 4 HZ3 LYS 4 -5.865 -3.656 -18.955
37 HA PRO 5 HA PRO 5 2.775 -5.977 -15.386
38 1HB PRO 5 HB1 PRO 5 4.805 -5.916 -17.249
39 2HB PRO 5 HB2 PRO 5 4.374 -7.387 -16.336
40 1HG PRO 5 HG1 PRO 5 3.781 -6.727 -19.175
41 2HG PRO 5 HG2 PRO 5 4.015 -8.332 -18.408
42 1HD PRO 5 HD1 PRO 5 1.546 -7.002 -19.033
43 2HD PRO 5 HD2 PRO 5 1.745 -8.529 -18.123
44 H ASP 6 H ASP 6 4.343 -4.100 -15.982
45 HA ASP 6 HA ASP 6 4.496 -1.869 -16.299
46 1HB ASP 6 HB1 ASP 6 3.064 -2.486 -18.858
47 2HB ASP 6 HB2 ASP 6 3.745 -0.928 -18.446
48 H ASN 7 H ASN 7 3.168 0.209 -16.605
49 HA ASN 7 HA ASN 7 1.619 1.565 -15.681
50 1HB ASN 7 HB1 ASN 7 0.214 -0.693 -16.913
51 2HB ASN 7 HB2 ASN 7 -0.749 -0.044 -15.604
52 1HD2 ASN 7 HD2 ASN 7 -0.452 0.187 -18.780
53 2HD2 ASN 7 HD2 ASN 7 -0.732 1.918 -19.020
54 HA PRO 8 HA PRO 8 1.925 -0.213 -11.484
55 1HB PRO 8 HB1 PRO 8 2.668 2.104 -10.141
56 2HB PRO 8 HB2 PRO 8 3.773 0.903 -10.837
57 1HG PRO 8 HG1 PRO 8 3.106 3.589 -11.881
58 2HG PRO 8 HG2 PRO 8 4.529 2.572 -12.193
59 1HD PRO 8 HD1 PRO 8 2.221 2.929 -13.859
60 2HD PRO 8 HD2 PRO 8 3.571 1.810 -14.173
61 H GLY 9 H GLY 9 0.702 3.144 -11.857
62 1HA GLY 9 HA1 GLY 9 -1.634 3.702 -11.779
63 2HA GLY 9 HA2 GLY 9 -1.939 2.324 -10.683
64 H GLU 10 H GLU 10 -0.193 2.441 -8.740
65 HA GLU 10 HA GLU 10 0.356 3.394 -6.791
66 1HB GLU 10 HB1 GLU 10 0.746 5.839 -8.597
67 2HB GLU 10 HB2 GLU 10 0.945 5.945 -6.870
68 1HG GLU 10 HG1 GLU 10 2.852 4.774 -6.801
69 2HG GLU 10 HG2 GLU 10 2.369 3.646 -8.063
70 H ASP 11 H ASP 11 -2.258 2.833 -6.962
71 HA ASP 11 HA ASP 11 -3.431 4.657 -5.165
72 1HB ASP 11 HB1 ASP 11 -3.742 5.860 -7.527
73 2HB ASP 11 HB2 ASP 11 -4.984 4.691 -7.789
74 H ALA 12 H ALA 12 -3.855 2.622 -4.045
75 HA ALA 12 HA ALA 12 -6.238 1.278 -4.820
76 1HB ALA 12 HB1 ALA 12 -3.818 -0.511 -4.971
77 2HB ALA 12 HB2 ALA 12 -5.485 -0.873 -5.437
78 3HB ALA 12 HB3 ALA 12 -4.495 0.217 -6.436
79 HA PRO 13 HA PRO 13 -5.958 0.221 -0.535
80 1HB PRO 13 HB1 PRO 13 -7.587 -2.052 -0.365
81 2HB PRO 13 HB2 PRO 13 -8.170 -0.370 -0.401
82 1HG PRO 13 HG1 PRO 13 -8.321 -2.369 -2.530
83 2HG PRO 13 HG2 PRO 13 -9.276 -0.902 -2.314
84 1HD PRO 13 HD1 PRO 13 -7.011 -1.336 -4.058
85 2HD PRO 13 HD2 PRO 13 -7.912 0.180 -3.827
86 H ALA 14 H ALA 14 -4.415 -0.875 0.598
87 HA ALA 14 HA ALA 14 -3.177 -2.521 1.455
88 1HB ALA 14 HB1 ALA 14 -3.852 -4.519 -0.720
89 2HB ALA 14 HB2 ALA 14 -3.219 -4.789 0.900
90 3HB ALA 14 HB3 ALA 14 -4.903 -4.237 0.702
91 H GLU 15 H GLU 15 -3.025 -2.665 -2.136
92 HA GLU 15 HA GLU 15 -0.350 -2.998 -2.381
93 1HB GLU 15 HB1 GLU 15 -2.231 -2.893 -4.166
94 2HB GLU 15 HB2 GLU 15 -1.920 -1.172 -4.244
95 1HG GLU 15 HG1 GLU 15 -0.020 -1.478 -5.489
96 2HG GLU 15 HG2 GLU 15 0.562 -2.783 -4.437
97 H ASP 16 H ASP 16 -2.061 0.054 -1.743
98 HA ASP 16 HA ASP 16 0.084 1.822 -1.954
99 1HB ASP 16 HB1 ASP 16 -2.282 2.472 -1.524
100 2HB ASP 16 HB2 ASP 16 -2.224 1.757 0.082
101 H LEU 17 H LEU 17 -0.907 -0.137 0.820
102 HA LEU 17 HA LEU 17 1.124 0.920 2.564
103 1HB LEU 17 HB1 LEU 17 0.233 -0.414 4.129
104 2HB LEU 17 HB2 LEU 17 -1.073 -0.639 2.975
105 HG LEU 17 HG LEU 17 0.389 -2.735 2.187
106 1HD1 LEU 17 HD1 LEU 17 1.647 -3.762 3.925
107 2HD1 LEU 17 HD1 LEU 17 2.340 -2.172 3.744
108 3HD1 LEU 17 HD1 LEU 17 1.197 -2.466 5.075
109 1HD2 LEU 17 HD2 LEU 17 -0.742 -4.086 3.877
110 2HD2 LEU 17 HD2 LEU 17 -1.113 -2.667 4.846
111 3HD2 LEU 17 HD2 LEU 17 -1.849 -2.915 3.206
112 H ALA 18 H ALA 18 1.032 -1.702 0.164
113 HA ALA 18 HA ALA 18 3.478 -2.898 0.857
114 1HB ALA 18 HB1 ALA 18 2.650 -2.685 -2.054
115 2HB ALA 18 HB2 ALA 18 3.416 -3.968 -1.200
116 3HB ALA 18 HB3 ALA 18 1.654 -3.616 -0.921
117 H ARG 19 H ARG 19 2.810 0.077 -0.764
118 HA ARG 19 HA ARG 19 5.216 0.582 -2.212
119 1HB ARG 19 HB1 ARG 19 2.907 1.794 -2.265
120 2HB ARG 19 HB2 ARG 19 3.495 2.636 -0.816
121 1HG ARG 19 HG1 ARG 19 5.616 3.106 -2.368
122 2HG ARG 19 HG2 ARG 19 4.439 2.799 -3.660
123 1HD ARG 19 HD1 ARG 19 4.498 5.184 -3.156
124 2HD ARG 19 HD2 ARG 19 2.941 4.506 -2.650
125 HE ARG 19 HE ARG 19 5.013 4.538 -0.560
126 1HH1 ARG 19 HH1 ARG 19 3.387 7.082 1.253
127 2HH1 ARG 19 HH1 ARG 19 4.567 5.799 1.312
128 1HH2 ARG 19 HH2 ARG 19 2.073 7.383 -0.726
129 2HH2 ARG 19 HH2 ARG 19 2.362 6.317 -2.040
130 H TYR 20 H TYR 20 4.012 1.639 1.019
131 HA TYR 20 HA TYR 20 6.413 2.932 1.752
132 1HB TYR 20 HB1 TYR 20 5.363 3.418 3.725
133 2HB TYR 20 HB2 TYR 20 3.929 2.807 2.908
134 HD1 TYR 20 HD1 TYR 20 2.667 1.209 4.000
135 HD2 TYR 20 HD2 TYR 20 6.664 1.908 5.363
136 HE1 TYR 20 HE1 TYR 20 2.429 -0.617 5.660
137 HE2 TYR 20 HE2 TYR 20 6.353 0.163 7.108
138 HH TYR 20 HH TYR 20 3.586 -0.963 8.092
139 H TYR 21 H TYR 21 5.425 -0.348 1.823
140 HA TYR 21 HA TYR 21 7.361 -1.395 3.637
141 1HB TYR 21 HB1 TYR 21 5.259 -2.400 2.124
142 2HB TYR 21 HB2 TYR 21 6.624 -3.013 1.177
143 HD1 TYR 21 HD1 TYR 21 6.947 -5.322 1.699
144 HD2 TYR 21 HD2 TYR 21 5.520 -2.629 4.693
145 HE1 TYR 21 HE1 TYR 21 7.213 -7.103 3.363
146 HE2 TYR 21 HE2 TYR 21 5.817 -4.411 6.390
147 HH TYR 21 HH TYR 21 6.694 -7.718 5.594
148 H SER 22 H SER 22 7.746 -0.869 0.028
149 HA SER 22 HA SER 22 10.210 -1.965 -0.259
150 1HB SER 22 HB1 SER 22 9.140 0.689 -1.384
151 2HB SER 22 HB2 SER 22 10.583 -0.272 -1.958
152 HG SER 22 HG SER 22 8.028 -0.598 -2.688
153 H ALA 23 H ALA 23 9.382 1.264 0.989
154 HA ALA 23 HA ALA 23 12.070 2.337 1.090
155 1HB ALA 23 HB1 ALA 23 9.575 3.068 2.720
156 2HB ALA 23 HB2 ALA 23 11.097 4.004 2.648
157 3HB ALA 23 HB3 ALA 23 10.072 3.822 1.214
158 H LEU 24 H LEU 24 9.853 0.721 3.441
159 HA LEU 24 HA LEU 24 11.731 0.689 5.548
160 1HB LEU 24 HB1 LEU 24 9.327 -1.035 4.881
161 2HB LEU 24 HB2 LEU 24 10.472 -1.523 6.133
162 HG LEU 24 HG LEU 24 8.618 0.849 6.117
163 1HD1 LEU 24 HD1 LEU 24 8.021 -1.343 7.061
164 2HD1 LEU 24 HD1 LEU 24 9.468 -1.314 8.109
165 3HD1 LEU 24 HD1 LEU 24 8.147 -0.170 8.396
166 1HD2 LEU 24 HD2 LEU 24 9.705 1.512 8.263
167 2HD2 LEU 24 HD2 LEU 24 11.133 0.572 7.761
168 3HD2 LEU 24 HD2 LEU 24 10.568 1.998 6.800
169 H ARG 25 H ARG 25 11.295 -1.597 2.848
170 HA ARG 25 HA ARG 25 13.235 -3.343 3.886
171 1HB ARG 25 HB1 ARG 25 11.968 -4.244 1.987
172 2HB ARG 25 HB2 ARG 25 12.216 -2.782 1.074
173 1HG ARG 25 HG1 ARG 25 14.362 -3.205 0.445
174 2HG ARG 25 HG2 ARG 25 14.655 -4.405 1.717
175 1HD ARG 25 HD1 ARG 25 13.880 -6.127 0.409
176 2HD ARG 25 HD2 ARG 25 12.496 -5.171 -0.134
177 HE ARG 25 HE ARG 25 13.607 -4.294 -1.920
178 1HH1 ARG 25 HH1 ARG 25 16.796 -4.579 -3.242
179 2HH1 ARG 25 HH1 ARG 25 15.170 -4.804 -3.653
180 1HH2 ARG 25 HH2 ARG 25 17.344 -5.570 -1.105
181 2HH2 ARG 25 HH2 ARG 25 16.103 -5.666 0.105
182 H HIS 26 H HIS 26 13.651 -0.580 1.679
183 HA HIS 26 HA HIS 26 16.374 -0.983 1.183
184 1HB HIS 26 HB1 HIS 26 14.735 0.824 0.251
185 2HB HIS 26 HB2 HIS 26 15.099 1.755 1.709
186 HD1 HIS 26 HD1 HIS 26 17.544 -0.112 -0.698
187 HD2 HIS 26 HD2 HIS 26 16.760 3.610 1.111
188 HE1 HIS 26 HE1 HIS 26 19.428 1.463 -1.428
189 H TYR 27 H TYR 27 14.755 0.580 3.922
190 HA TYR 27 HA TYR 27 17.154 1.141 5.369
191 1HB TYR 27 HB1 TYR 27 14.245 0.920 6.037
192 2HB TYR 27 HB2 TYR 27 15.348 0.597 7.344
193 HD1 TYR 27 HD1 TYR 27 15.983 2.327 8.707
194 HD2 TYR 27 HD2 TYR 27 14.976 3.158 4.601
195 HE1 TYR 27 HE1 TYR 27 16.270 4.763 9.128
196 HE2 TYR 27 HE2 TYR 27 15.252 5.599 5.038
197 HH TYR 27 HH TYR 27 15.192 7.166 6.777
198 H ILE 28 H ILE 28 14.854 -1.547 6.008
199 HA ILE 28 HA ILE 28 16.464 -2.737 7.865
200 HB ILE 28 HB ILE 28 14.342 -3.683 6.033
201 1HG1 ILE 28 1HG1 ILE 28 13.222 -4.122 8.213
202 2HG1 ILE 28 2HG1 ILE 28 14.766 -3.931 9.068
203 1HG2 ILE 28 1HG2 ILE 28 16.095 -5.544 7.652
204 2HG2 ILE 28 2HG2 ILE 28 14.412 -5.923 7.317
205 3HG2 ILE 28 3HG2 ILE 28 15.532 -5.729 5.961
206 1HD1 ILE 28 1HD1 ILE 28 13.319 -1.644 7.651
207 2HD1 ILE 28 2HD1 ILE 28 13.197 -2.057 9.360
208 3HD1 ILE 28 3HD1 ILE 28 14.748 -1.535 8.728
209 H ASN 29 H ASN 29 16.912 -2.806 4.474
210 HA ASN 29 HA ASN 29 18.820 -4.970 4.191
211 1HB ASN 29 HB1 ASN 29 17.713 -4.134 2.268
212 2HB ASN 29 HB2 ASN 29 18.100 -2.486 2.618
213 1HD2 ASN 29 HD2 ASN 29 19.776 -1.543 1.726
214 2HD2 ASN 29 HD2 ASN 29 21.081 -2.350 0.865
215 H LEU 30 H LEU 30 19.147 -1.493 4.568
216 HA LEU 30 HA LEU 30 22.060 -1.691 4.758
217 1HB LEU 30 HB1 LEU 30 22.199 0.689 4.922
218 2HB LEU 30 HB2 LEU 30 21.178 0.163 3.569
219 HG LEU 30 HG LEU 30 19.211 0.667 4.949
220 1HD1 LEU 30 HD1 LEU 30 19.356 1.225 7.097
221 2HD1 LEU 30 HD1 LEU 30 21.139 1.402 7.029
222 3HD1 LEU 30 HD1 LEU 30 20.081 2.744 6.638
223 1HD2 LEU 30 HD2 LEU 30 20.559 3.303 4.559
224 2HD2 LEU 30 HD2 LEU 30 20.566 2.209 3.190
225 3HD2 LEU 30 HD2 LEU 30 19.033 2.651 3.937
226 H ILE 31 H ILE 31 19.469 -1.013 6.963
227 HA ILE 31 HA ILE 31 20.841 -0.434 9.271
228 HB ILE 31 HB ILE 31 18.214 -0.792 8.451
229 1HG1 ILE 31 1HG1 ILE 31 19.149 0.900 10.076
230 2HG1 ILE 31 2HG1 ILE 31 17.483 0.340 10.220
231 1HG2 ILE 31 1HG2 ILE 31 17.126 -2.253 10.047
232 2HG2 ILE 31 2HG2 ILE 31 18.244 -3.148 9.012
233 3HG2 ILE 31 3HG2 ILE 31 18.715 -2.818 10.658
234 1HD1 ILE 31 1HD1 ILE 31 18.001 -1.103 12.069
235 2HD1 ILE 31 2HD1 ILE 31 19.745 -0.768 11.896
236 3HD1 ILE 31 3HD1 ILE 31 18.624 0.513 12.417
237 H THR 32 H THR 32 20.052 -3.633 7.755
238 HA THR 32 HA THR 32 21.259 -5.127 9.896
239 HB THR 32 HB THR 32 21.144 -6.988 8.175
240 HG1 THR 32 HG1 THR 32 20.560 -6.496 6.201
241 1HG2 THR 32 1HG2 THR 32 18.477 -6.730 8.118
242 2HG2 THR 32 2HG2 THR 32 19.320 -7.009 9.644
243 3HG2 THR 32 3HG2 THR 32 18.815 -5.367 9.208
244 H ARG 33 H ARG 33 22.222 -4.267 6.565
245 HA ARG 33 HA ARG 33 24.627 -5.411 6.425
246 1HB ARG 33 HB1 ARG 33 23.401 -3.394 5.051
247 2HB ARG 33 HB2 ARG 33 24.891 -2.611 5.512
248 1HG ARG 33 HG1 ARG 33 25.766 -5.121 4.617
249 2HG ARG 33 HG2 ARG 33 24.325 -4.889 3.647
250 1HD ARG 33 HD1 ARG 33 25.488 -3.624 2.232
251 2HD ARG 33 HD2 ARG 33 25.749 -2.411 3.504
252 HE ARG 33 HE ARG 33 27.628 -4.429 3.989
253 1HH1 ARG 33 HH1 ARG 33 30.226 -3.440 1.837
254 2HH1 ARG 33 HH1 ARG 33 29.774 -4.437 3.178
255 1HH2 ARG 33 HH2 ARG 33 28.535 -2.063 0.790
256 2HH2 ARG 33 HH2 ARG 33 26.936 -2.109 1.458
257 H GLN 34 H GLN 34 24.061 -2.298 8.060
258 HA GLN 34 HA GLN 34 26.770 -2.009 9.029
259 1HB GLN 34 HB1 GLN 34 26.048 -0.069 10.175
260 2HB GLN 34 HB2 GLN 34 25.173 -0.105 8.638
261 1HG GLN 34 HG1 GLN 34 23.180 -0.878 9.718
262 2HG GLN 34 HG2 GLN 34 23.985 -1.072 11.283
263 1HE2 GLN 34 1HE2 GLN 34 24.430 0.761 12.591
264 2HE2 GLN 34 2HE2 GLN 34 23.636 2.286 12.242
265 H ARG 35 H ARG 35 23.864 -3.564 10.384
266 HA ARG 35 HA ARG 35 25.102 -3.901 13.055
267 1HB ARG 35 HB1 ARG 35 22.306 -4.154 11.935
268 2HB ARG 35 HB2 ARG 35 22.722 -5.071 13.352
269 1HG ARG 35 HG1 ARG 35 23.082 -3.223 14.704
270 2HG ARG 35 HG2 ARG 35 23.415 -2.140 13.336
271 1HD ARG 35 HD1 ARG 35 21.024 -2.304 12.650
272 2HD ARG 35 HD2 ARG 35 20.698 -3.282 14.075
273 HE ARG 35 HE ARG 35 21.989 -0.713 14.662
274 1HH1 ARG 35 HH1 ARG 35 19.196 0.766 16.075
275 2HH1 ARG 35 HH1 ARG 35 20.937 0.676 15.984
276 1HH2 ARG 35 HH2 ARG 35 18.009 -1.251 15.309
277 2HH2 ARG 35 HH2 ARG 35 18.931 -2.417 14.441
278 H TYR 36 H TYR 36 23.281 -5.989 10.831
279 HA TYR 36 HA TYR 36 24.055 -8.513 11.965
280 1HB TYR 36 HB1 TYR 36 22.338 -7.418 9.876
281 2HB TYR 36 HB2 TYR 36 23.255 -8.725 9.194
282 HD1 TYR 36 HD1 TYR 36 22.749 -11.022 9.810
283 HD2 TYR 36 HD2 TYR 36 20.765 -7.708 11.715
284 HE1 TYR 36 HE1 TYR 36 21.103 -12.590 10.837
285 HE2 TYR 36 HE2 TYR 36 19.089 -9.291 12.699
286 HH TYR 36 HH TYR 36 19.571 -12.828 12.517
287 1HN NH2 37 HN1 NH2 237 25.383 -10.081 10.836
288 2HN NH2 37 HN2 NH2 237 26.752 -9.513 9.868
Start of MODEL 6
1 1H TYR 1 HN1 TYR 1 -13.690 -24.053 -5.014
2 2H TYR 1 HN2 TYR 1 -14.485 -25.353 -5.692
3 3H TYR 1 HN3 TYR 1 -15.001 -24.712 -4.290
4 HA TYR 1 HA TYR 1 -13.766 -26.826 -4.100
5 1HB TYR 1 HB1 TYR 1 -11.679 -24.870 -4.982
6 2HB TYR 1 HB2 TYR 1 -11.243 -25.949 -3.681
7 HD1 TYR 1 HD1 TYR 1 -13.092 -26.355 -6.975
8 HD2 TYR 1 HD2 TYR 1 -10.006 -27.783 -4.341
9 HE1 TYR 1 HE1 TYR 1 -12.496 -28.153 -8.597
10 HE2 TYR 1 HE2 TYR 1 -9.735 -29.798 -5.777
11 HH TYR 1 HH TYR 1 -9.993 -30.323 -8.189
12 HA PRO 2 HA PRO 2 -14.157 -25.384 0.062
13 1HB PRO 2 HB1 PRO 2 -12.592 -27.193 1.494
14 2HB PRO 2 HB2 PRO 2 -14.149 -27.605 0.719
15 1HG PRO 2 HG1 PRO 2 -11.473 -28.407 -0.161
16 2HG PRO 2 HG2 PRO 2 -13.051 -29.207 -0.433
17 1HD PRO 2 HD1 PRO 2 -11.598 -27.490 -2.227
18 2HD PRO 2 HD2 PRO 2 -13.244 -28.165 -2.484
19 H SER 3 H SER 3 -13.182 -23.483 0.751
20 HA SER 3 HA SER 3 -11.605 -22.072 1.262
21 1HB SER 3 HB1 SER 3 -10.218 -24.674 1.959
22 2HB SER 3 HB2 SER 3 -9.158 -23.252 1.824
23 HG SER 3 HG SER 3 -10.133 -22.278 3.445
24 H LYS 4 H LYS 4 -11.723 -21.062 -0.746
25 HA LYS 4 HA LYS 4 -9.401 -21.767 -2.487
26 1HB LYS 4 HB1 LYS 4 -10.598 -21.066 -4.403
27 2HB LYS 4 HB2 LYS 4 -11.533 -22.298 -3.544
28 1HG LYS 4 HG1 LYS 4 -12.151 -19.476 -2.779
29 2HG LYS 4 HG2 LYS 4 -12.385 -19.807 -4.467
30 1HD LYS 4 HD1 LYS 4 -13.863 -21.782 -4.053
31 2HD LYS 4 HD2 LYS 4 -13.667 -21.559 -2.338
32 1HE LYS 4 HE1 LYS 4 -15.589 -20.316 -2.540
33 2HE LYS 4 HE2 LYS 4 -14.509 -18.992 -2.939
34 1HZ LYS 4 HZ1 LYS 4 -15.117 -19.029 -5.092
35 2HZ LYS 4 HZ2 LYS 4 -15.488 -20.605 -5.162
36 3HZ LYS 4 HZ3 LYS 4 -16.510 -19.617 -4.427
37 HA PRO 5 HA PRO 5 -8.033 -17.587 -1.713
38 1HB PRO 5 HB1 PRO 5 -6.591 -17.105 -4.031
39 2HB PRO 5 HB2 PRO 5 -6.107 -18.181 -2.688
40 1HG PRO 5 HG1 PRO 5 -6.955 -19.006 -5.343
41 2HG PRO 5 HG2 PRO 5 -5.861 -19.818 -4.157
42 1HD PRO 5 HD1 PRO 5 -8.623 -20.322 -4.624
43 2HD PRO 5 HD2 PRO 5 -7.605 -20.987 -3.307
44 H ASP 6 H ASP 6 -10.388 -17.021 -1.837
45 HA ASP 6 HA ASP 6 -11.556 -15.916 -4.150
46 1HB ASP 6 HB1 ASP 6 -13.073 -14.724 -2.587
47 2HB ASP 6 HB2 ASP 6 -12.892 -16.436 -2.213
48 H ASN 7 H ASN 7 -11.979 -13.634 -4.548
49 HA ASN 7 HA ASN 7 -9.506 -12.136 -4.796
50 1HB ASN 7 HB1 ASN 7 -12.436 -11.497 -5.408
51 2HB ASN 7 HB2 ASN 7 -11.138 -10.319 -5.658
52 1HD2 ASN 7 HD2 ASN 7 -10.088 -10.283 -7.636
53 2HD2 ASN 7 HD2 ASN 7 -10.009 -11.662 -8.686
54 HA PRO 8 HA PRO 8 -9.924 -9.933 -0.988
55 1HB PRO 8 HB1 PRO 8 -8.483 -7.624 -1.481
56 2HB PRO 8 HB2 PRO 8 -7.757 -9.235 -1.180
57 1HG PRO 8 HG1 PRO 8 -8.136 -7.876 -3.744
58 2HG PRO 8 HG2 PRO 8 -6.775 -8.962 -3.239
59 1HD PRO 8 HD1 PRO 8 -9.001 -9.603 -4.897
60 2HD PRO 8 HD2 PRO 8 -7.957 -10.785 -4.032
61 H GLY 9 H GLY 9 -10.662 -8.085 -3.980
62 1HA GLY 9 HA1 GLY 9 -13.066 -7.385 -4.129
63 2HA GLY 9 HA2 GLY 9 -12.872 -6.629 -2.511
64 H GLU 10 H GLU 10 -11.939 -4.582 -2.423
65 HA GLU 10 HA GLU 10 -10.050 -3.489 -4.261
66 1HB GLU 10 HB1 GLU 10 -11.575 -1.670 -5.068
67 2HB GLU 10 HB2 GLU 10 -11.823 -3.244 -5.850
68 1HG GLU 10 HG1 GLU 10 -13.599 -2.334 -3.549
69 2HG GLU 10 HG2 GLU 10 -13.894 -1.865 -5.223
70 H ASP 11 H ASP 11 -9.118 -1.739 -3.180
71 HA ASP 11 HA ASP 11 -8.729 -0.079 -1.753
72 1HB ASP 11 HB1 ASP 11 -11.010 0.749 -2.568
73 2HB ASP 11 HB2 ASP 11 -11.696 0.087 -1.035
74 H ALA 12 H ALA 12 -7.522 -1.508 -0.432
75 HA ALA 12 HA ALA 12 -8.764 -1.984 2.200
76 1HB ALA 12 HB1 ALA 12 -7.361 -4.417 1.273
77 2HB ALA 12 HB2 ALA 12 -8.923 -4.205 2.031
78 3HB ALA 12 HB3 ALA 12 -8.771 -4.034 0.291
79 HA PRO 13 HA PRO 13 -4.514 -1.476 3.568
80 1HB PRO 13 HB1 PRO 13 -4.116 -3.611 5.382
81 2HB PRO 13 HB2 PRO 13 -4.911 -2.123 5.746
82 1HG PRO 13 HG1 PRO 13 -6.058 -4.801 5.267
83 2HG PRO 13 HG2 PRO 13 -6.818 -3.430 6.137
84 1HD PRO 13 HD1 PRO 13 -7.285 -4.363 3.466
85 2HD PRO 13 HD2 PRO 13 -8.026 -2.919 4.224
86 H ALA 14 H ALA 14 -2.563 -3.048 4.178
87 HA ALA 14 HA ALA 14 -0.974 -4.468 3.584
88 1HB ALA 14 HB1 ALA 14 -2.895 -5.993 1.795
89 2HB ALA 14 HB2 ALA 14 -1.351 -6.550 2.566
90 3HB ALA 14 HB3 ALA 14 -2.736 -6.219 3.562
91 H GLU 15 H GLU 15 -2.810 -3.975 0.513
92 HA GLU 15 HA GLU 15 -0.713 -3.677 -1.171
93 1HB GLU 15 HB1 GLU 15 -3.475 -3.441 -1.269
94 2HB GLU 15 HB2 GLU 15 -2.979 -1.824 -1.762
95 1HG GLU 15 HG1 GLU 15 -1.771 -4.337 -3.034
96 2HG GLU 15 HG2 GLU 15 -3.368 -3.746 -3.495
97 H ASP 16 H ASP 16 -2.288 -1.148 0.831
98 HA ASP 16 HA ASP 16 -0.597 0.960 0.032
99 1HB ASP 16 HB1 ASP 16 -2.757 0.925 1.575
100 2HB ASP 16 HB2 ASP 16 -1.646 0.911 2.913
101 H LEU 17 H LEU 17 -0.399 -1.263 2.839
102 HA LEU 17 HA LEU 17 1.876 -0.146 4.056
103 1HB LEU 17 HB1 LEU 17 1.323 -1.634 5.590
104 2HB LEU 17 HB2 LEU 17 0.125 -2.347 4.486
105 HG LEU 17 HG LEU 17 1.873 -3.868 3.696
106 1HD1 LEU 17 HD1 LEU 17 4.045 -3.418 4.019
107 2HD1 LEU 17 HD1 LEU 17 3.639 -2.189 5.285
108 3HD1 LEU 17 HD1 LEU 17 3.805 -3.913 5.691
109 1HD2 LEU 17 HD2 LEU 17 0.397 -4.648 5.471
110 2HD2 LEU 17 HD2 LEU 17 2.016 -5.339 5.624
111 3HD2 LEU 17 HD2 LEU 17 1.538 -3.969 6.675
112 H ALA 18 H ALA 18 1.489 -2.381 1.356
113 HA ALA 18 HA ALA 18 4.069 -3.387 1.094
114 1HB ALA 18 HB1 ALA 18 3.295 -4.300 -0.835
115 2HB ALA 18 HB2 ALA 18 1.709 -3.689 -0.333
116 3HB ALA 18 HB3 ALA 18 2.676 -2.754 -1.463
117 H ARG 19 H ARG 19 2.696 -0.263 0.137
118 HA ARG 19 HA ARG 19 4.807 0.746 -1.460
119 1HB ARG 19 HB1 ARG 19 2.466 1.709 -1.109
120 2HB ARG 19 HB2 ARG 19 3.039 2.277 0.452
121 1HG ARG 19 HG1 ARG 19 3.591 4.143 -0.620
122 2HG ARG 19 HG2 ARG 19 5.077 3.252 -1.010
123 1HD ARG 19 HD1 ARG 19 4.583 3.150 -3.237
124 2HD ARG 19 HD2 ARG 19 2.931 2.681 -2.930
125 HE ARG 19 HE ARG 19 3.805 5.294 -3.602
126 1HH1 ARG 19 HH1 ARG 19 0.720 6.753 -2.954
127 2HH1 ARG 19 HH1 ARG 19 2.316 6.988 -3.625
128 1HH2 ARG 19 HH2 ARG 19 0.231 4.695 -1.700
129 2HH2 ARG 19 HH2 ARG 19 1.430 3.460 -1.757
130 H TYR 20 H TYR 20 4.031 1.331 2.009
131 HA TYR 20 HA TYR 20 6.448 2.632 2.644
132 1HB TYR 20 HB1 TYR 20 4.684 2.954 4.114
133 2HB TYR 20 HB2 TYR 20 4.250 1.247 4.195
134 HD1 TYR 20 HD1 TYR 20 7.062 3.581 5.160
135 HD2 TYR 20 HD2 TYR 20 4.993 -0.077 5.946
136 HE1 TYR 20 HE1 TYR 20 8.241 3.367 7.355
137 HE2 TYR 20 HE2 TYR 20 6.011 -0.165 8.230
138 HH TYR 20 HH TYR 20 7.371 0.842 9.694
139 H TYR 21 H TYR 21 5.697 -0.688 2.246
140 HA TYR 21 HA TYR 21 7.778 -1.845 3.734
141 1HB TYR 21 HB1 TYR 21 5.622 -2.766 2.317
142 2HB TYR 21 HB2 TYR 21 6.909 -3.273 1.253
143 HD1 TYR 21 HD1 TYR 21 7.087 -5.587 1.549
144 HD2 TYR 21 HD2 TYR 21 6.309 -3.102 4.964
145 HE1 TYR 21 HE1 TYR 21 7.041 -7.582 3.004
146 HE2 TYR 21 HE2 TYR 21 6.478 -5.094 6.448
147 HH TYR 21 HH TYR 21 7.176 -8.355 5.121
148 H SER 22 H SER 22 7.741 -0.737 0.258
149 HA SER 22 HA SER 22 10.174 -1.704 -0.422
150 1HB SER 22 HB1 SER 22 8.570 0.777 -1.170
151 2HB SER 22 HB2 SER 22 10.218 0.637 -1.852
152 HG SER 22 HG SER 22 9.547 -1.113 -2.974
153 H ALA 23 H ALA 23 9.351 1.356 1.129
154 HA ALA 23 HA ALA 23 12.098 2.390 1.116
155 1HB ALA 23 HB1 ALA 23 9.814 3.215 2.953
156 2HB ALA 23 HB2 ALA 23 11.258 4.158 2.499
157 3HB ALA 23 HB3 ALA 23 10.019 3.801 1.285
158 H LEU 24 H LEU 24 9.949 0.732 3.491
159 HA LEU 24 HA LEU 24 11.860 0.542 5.510
160 1HB LEU 24 HB1 LEU 24 9.435 -1.079 4.752
161 2HB LEU 24 HB2 LEU 24 10.597 -1.827 5.851
162 HG LEU 24 HG LEU 24 8.852 0.548 6.337
163 1HD1 LEU 24 HD1 LEU 24 9.428 -2.148 7.629
164 2HD1 LEU 24 HD1 LEU 24 8.638 -0.868 8.519
165 3HD1 LEU 24 HD1 LEU 24 7.903 -1.485 7.038
166 1HD2 LEU 24 HD2 LEU 24 11.477 -0.039 7.734
167 2HD2 LEU 24 HD2 LEU 24 10.827 1.525 7.103
168 3HD2 LEU 24 HD2 LEU 24 10.137 0.808 8.549
169 H ARG 25 H ARG 25 11.426 -1.550 2.683
170 HA ARG 25 HA ARG 25 13.273 -3.505 3.559
171 1HB ARG 25 HB1 ARG 25 12.048 -4.091 1.539
172 2HB ARG 25 HB2 ARG 25 12.337 -2.566 0.823
173 1HG ARG 25 HG1 ARG 25 14.650 -2.954 0.380
174 2HG ARG 25 HG2 ARG 25 14.625 -4.489 1.267
175 1HD ARG 25 HD1 ARG 25 13.489 -5.561 -0.500
176 2HD ARG 25 HD2 ARG 25 12.743 -4.046 -1.042
177 HE ARG 25 HE ARG 25 15.551 -3.811 -1.392
178 1HH1 ARG 25 HH1 ARG 25 15.506 -4.649 -4.815
179 2HH1 ARG 25 HH1 ARG 25 16.412 -3.888 -3.538
180 1HH2 ARG 25 HH2 ARG 25 13.315 -5.519 -4.351
181 2HH2 ARG 25 HH2 ARG 25 12.736 -5.454 -2.735
182 H HIS 26 H HIS 26 13.743 -0.451 1.632
183 HA HIS 26 HA HIS 26 16.466 -0.897 1.184
184 1HB HIS 26 HB1 HIS 26 14.969 0.964 0.221
185 2HB HIS 26 HB2 HIS 26 15.202 1.844 1.706
186 HD1 HIS 26 HD1 HIS 26 17.930 0.074 -0.454
187 HD2 HIS 26 HD2 HIS 26 16.812 3.793 1.168
188 HE1 HIS 26 HE1 HIS 26 19.802 1.715 -1.043
189 H TYR 27 H TYR 27 14.829 0.715 3.883
190 HA TYR 27 HA TYR 27 17.198 1.249 5.419
191 1HB TYR 27 HB1 TYR 27 14.249 1.169 5.915
192 2HB TYR 27 HB2 TYR 27 15.272 0.855 7.307
193 HD1 TYR 27 HD1 TYR 27 14.423 3.425 4.752
194 HD2 TYR 27 HD2 TYR 27 16.706 2.506 8.285
195 HE1 TYR 27 HE1 TYR 27 14.812 5.862 5.150
196 HE2 TYR 27 HE2 TYR 27 17.056 4.938 8.693
197 HH TYR 27 HH TYR 27 15.889 7.086 8.147
198 H ILE 28 H ILE 28 14.797 -1.232 6.163
199 HA ILE 28 HA ILE 28 16.279 -2.578 7.978
200 HB ILE 28 HB ILE 28 14.215 -3.767 6.164
201 1HG1 ILE 28 1HG1 ILE 28 14.112 -2.576 8.978
202 2HG1 ILE 28 2HG1 ILE 28 13.369 -1.925 7.529
203 1HG2 ILE 28 1HG2 ILE 28 14.650 -5.786 7.028
204 2HG2 ILE 28 2HG2 ILE 28 15.928 -5.144 8.079
205 3HG2 ILE 28 3HG2 ILE 28 14.304 -5.179 8.658
206 1HD1 ILE 28 1HD1 ILE 28 12.166 -4.372 7.547
207 2HD1 ILE 28 2HD1 ILE 28 12.431 -4.119 9.290
208 3HD1 ILE 28 3HD1 ILE 28 11.514 -2.937 8.367
209 H ASN 29 H ASN 29 16.695 -2.739 4.553
210 HA ASN 29 HA ASN 29 18.469 -5.040 4.321
211 1HB ASN 29 HB1 ASN 29 17.359 -4.171 2.367
212 2HB ASN 29 HB2 ASN 29 17.907 -2.558 2.667
213 1HD2 ASN 29 HD2 ASN 29 19.441 -1.803 1.450
214 2HD2 ASN 29 HD2 ASN 29 20.697 -2.760 0.680
215 H LEU 30 H LEU 30 18.976 -1.532 4.529
216 HA LEU 30 HA LEU 30 21.890 -1.866 4.584
217 1HB LEU 30 HB1 LEU 30 22.167 0.465 4.674
218 2HB LEU 30 HB2 LEU 30 21.015 -0.023 3.409
219 HG LEU 30 HG LEU 30 19.189 0.641 4.945
220 1HD1 LEU 30 HD1 LEU 30 19.520 1.254 7.047
221 2HD1 LEU 30 HD1 LEU 30 21.303 1.255 6.855
222 3HD1 LEU 30 HD1 LEU 30 20.357 2.687 6.501
223 1HD2 LEU 30 HD2 LEU 30 19.044 2.510 3.781
224 2HD2 LEU 30 HD2 LEU 30 20.556 3.199 4.399
225 3HD2 LEU 30 HD2 LEU 30 20.591 2.059 3.066
226 H ILE 31 H ILE 31 19.423 -1.014 6.949
227 HA ILE 31 HA ILE 31 20.989 -0.461 9.157
228 HB ILE 31 HB ILE 31 18.322 -0.574 8.504
229 1HG1 ILE 31 1HG1 ILE 31 19.530 0.902 10.191
230 2HG1 ILE 31 2HG1 ILE 31 17.804 0.576 10.308
231 1HG2 ILE 31 1HG2 ILE 31 18.660 -2.744 10.607
232 2HG2 ILE 31 2HG2 ILE 31 17.132 -1.981 10.084
233 3HG2 ILE 31 3HG2 ILE 31 18.109 -2.937 8.963
234 1HD1 ILE 31 1HD1 ILE 31 19.869 -0.971 11.930
235 2HD1 ILE 31 2HD1 ILE 31 18.990 0.476 12.505
236 3HD1 ILE 31 3HD1 ILE 31 18.081 -0.980 12.113
237 H THR 32 H THR 32 19.790 -3.608 7.794
238 HA THR 32 HA THR 32 20.946 -5.164 9.920
239 HB THR 32 HB THR 32 20.609 -7.065 8.288
240 HG1 THR 32 HG1 THR 32 19.158 -6.023 6.503
241 1HG2 THR 32 1HG2 THR 32 18.797 -6.819 9.723
242 2HG2 THR 32 2HG2 THR 32 18.384 -5.211 9.151
243 3HG2 THR 32 3HG2 THR 32 18.026 -6.644 8.158
244 H ARG 33 H ARG 33 22.071 -4.177 6.686
245 HA ARG 33 HA ARG 33 24.309 -5.539 6.343
246 1HB ARG 33 HB1 ARG 33 23.268 -3.295 5.354
247 2HB ARG 33 HB2 ARG 33 24.826 -2.650 5.923
248 1HG ARG 33 HG1 ARG 33 25.999 -4.064 4.401
249 2HG ARG 33 HG2 ARG 33 24.615 -5.130 4.190
250 1HD ARG 33 HD1 ARG 33 23.644 -3.845 2.570
251 2HD ARG 33 HD2 ARG 33 23.888 -2.380 3.498
252 HE ARG 33 HE ARG 33 25.749 -1.822 2.379
253 1HH1 ARG 33 HH1 ARG 33 27.691 -3.556 0.013
254 2HH1 ARG 33 HH1 ARG 33 27.418 -2.045 0.827
255 1HH2 ARG 33 HH2 ARG 33 26.271 -5.454 0.581
256 2HH2 ARG 33 HH2 ARG 33 25.068 -5.205 1.814
257 H GLN 34 H GLN 34 24.150 -2.645 8.457
258 HA GLN 34 HA GLN 34 26.801 -3.121 9.523
259 1HB GLN 34 HB1 GLN 34 25.960 -0.827 9.272
260 2HB GLN 34 HB2 GLN 34 24.624 -1.169 10.380
261 1HG GLN 34 HG1 GLN 34 26.333 -0.004 11.600
262 2HG GLN 34 HG2 GLN 34 26.363 -1.664 12.183
263 1HE2 GLN 34 1HE2 GLN 34 28.420 -2.755 12.049
264 2HE2 GLN 34 2HE2 GLN 34 29.782 -2.035 11.217
265 H ARG 35 H ARG 35 23.438 -3.175 10.845
266 HA ARG 35 HA ARG 35 24.206 -3.942 13.409
267 1HB ARG 35 HB1 ARG 35 21.992 -2.982 12.613
268 2HB ARG 35 HB2 ARG 35 21.507 -4.594 12.130
269 1HG ARG 35 HG1 ARG 35 22.560 -4.613 14.860
270 2HG ARG 35 HG2 ARG 35 21.341 -3.357 14.697
271 1HD ARG 35 HD1 ARG 35 19.666 -4.891 13.945
272 2HD ARG 35 HD2 ARG 35 20.800 -6.222 13.799
273 HE ARG 35 HE ARG 35 19.539 -5.148 16.231
274 1HH1 ARG 35 HH1 ARG 35 21.210 -7.367 18.387
275 2HH1 ARG 35 HH1 ARG 35 19.946 -6.190 18.236
276 1HH2 ARG 35 HH2 ARG 35 22.569 -7.876 16.469
277 2HH2 ARG 35 HH2 ARG 35 22.287 -7.006 15.004
278 H TYR 36 H TYR 36 22.839 -6.021 10.854
279 HA TYR 36 HA TYR 36 23.630 -8.547 12.159
280 1HB TYR 36 HB1 TYR 36 21.514 -7.553 10.261
281 2HB TYR 36 HB2 TYR 36 22.172 -9.126 9.900
282 HD1 TYR 36 HD1 TYR 36 22.460 -10.719 11.982
283 HD2 TYR 36 HD2 TYR 36 19.585 -7.531 11.703
284 HE1 TYR 36 HE1 TYR 36 21.034 -11.853 13.680
285 HE2 TYR 36 HE2 TYR 36 18.111 -8.723 13.322
286 HH TYR 36 HH TYR 36 17.747 -10.877 14.328
287 1HN NH2 37 HN1 NH2 237 25.860 -7.709 11.698
288 2HN NH2 37 HN2 NH2 237 26.498 -8.039 10.080
Start of MODEL 7
1 1H TYR 1 HN1 TYR 1 11.857 -2.839 -16.411
2 2H TYR 1 HN2 TYR 1 10.595 -3.876 -16.373
3 3H TYR 1 HN3 TYR 1 11.862 -4.182 -17.438
4 HA TYR 1 HA TYR 1 11.212 -2.639 -18.830
5 1HB TYR 1 HB1 TYR 1 8.719 -3.760 -17.494
6 2HB TYR 1 HB2 TYR 1 8.644 -2.892 -19.008
7 HD1 TYR 1 HD1 TYR 1 9.191 -6.118 -17.571
8 HD2 TYR 1 HD2 TYR 1 10.084 -3.647 -21.024
9 HE1 TYR 1 HE1 TYR 1 9.730 -8.117 -18.893
10 HE2 TYR 1 HE2 TYR 1 10.552 -5.660 -22.317
11 HH TYR 1 HH TYR 1 11.612 -8.506 -21.004
12 HA PRO 2 HA PRO 2 10.182 1.317 -17.093
13 1HB PRO 2 HB1 PRO 2 8.827 2.463 -19.299
14 2HB PRO 2 HB2 PRO 2 10.618 2.221 -19.144
15 1HG PRO 2 HG1 PRO 2 8.761 0.881 -20.906
16 2HG PRO 2 HG2 PRO 2 10.547 1.131 -21.003
17 1HD PRO 2 HD1 PRO 2 9.121 -1.141 -20.141
18 2HD PRO 2 HD2 PRO 2 10.904 -0.873 -20.088
19 H SER 3 H SER 3 8.676 1.563 -15.556
20 HA SER 3 HA SER 3 6.627 1.511 -14.407
21 1HB SER 3 HB1 SER 3 5.689 2.322 -17.231
22 2HB SER 3 HB2 SER 3 4.624 2.266 -15.848
23 HG SER 3 HG SER 3 6.213 4.186 -16.508
24 H LYS 4 H LYS 4 7.294 -0.874 -14.463
25 HA LYS 4 HA LYS 4 6.364 -2.906 -15.893
26 1HB LYS 4 HB1 LYS 4 7.516 -2.779 -13.574
27 2HB LYS 4 HB2 LYS 4 5.868 -3.170 -13.016
28 1HG LYS 4 HG1 LYS 4 5.898 -5.267 -13.775
29 2HG LYS 4 HG2 LYS 4 6.687 -4.903 -15.292
30 1HD LYS 4 HD1 LYS 4 8.800 -5.123 -14.620
31 2HD LYS 4 HD2 LYS 4 8.542 -4.719 -12.920
32 1HE LYS 4 HE1 LYS 4 7.607 -6.767 -12.298
33 2HE LYS 4 HE2 LYS 4 7.262 -7.238 -13.965
34 1HZ LYS 4 HZ1 LYS 4 9.999 -6.873 -13.794
35 2HZ LYS 4 HZ2 LYS 4 9.633 -7.766 -12.477
36 3HZ LYS 4 HZ3 LYS 4 9.203 -8.316 -13.916
37 HA PRO 5 HA PRO 5 2.015 -1.598 -15.670
38 1HB PRO 5 HB1 PRO 5 1.341 -3.002 -18.132
39 2HB PRO 5 HB2 PRO 5 1.913 -1.309 -17.858
40 1HG PRO 5 HG1 PRO 5 3.284 -3.692 -18.921
41 2HG PRO 5 HG2 PRO 5 3.629 -1.942 -19.206
42 1HD PRO 5 HD1 PRO 5 4.905 -3.794 -17.415
43 2HD PRO 5 HD2 PRO 5 5.241 -2.048 -17.657
44 H ASP 6 H ASP 6 0.853 -2.804 -14.195
45 HA ASP 6 HA ASP 6 -0.263 -5.332 -14.853
46 1HB ASP 6 HB1 ASP 6 2.226 -5.372 -13.213
47 2HB ASP 6 HB2 ASP 6 0.882 -6.245 -12.461
48 H ASN 7 H ASN 7 -2.201 -4.585 -14.156
49 HA ASN 7 HA ASN 7 -3.813 -4.185 -12.714
50 1HB ASN 7 HB1 ASN 7 -1.991 -5.437 -10.984
51 2HB ASN 7 HB2 ASN 7 -2.422 -3.938 -10.125
52 1HD2 ASN 7 HD2 ASN 7 -2.907 -6.400 -9.135
53 2HD2 ASN 7 HD2 ASN 7 -4.679 -6.731 -9.208
54 HA PRO 8 HA PRO 8 -3.099 0.252 -12.435
55 1HB PRO 8 HB1 PRO 8 -5.660 1.033 -11.655
56 2HB PRO 8 HB2 PRO 8 -5.128 0.697 -13.322
57 1HG PRO 8 HG1 PRO 8 -6.883 -0.915 -11.549
58 2HG PRO 8 HG2 PRO 8 -6.730 -0.960 -13.333
59 1HD PRO 8 HD1 PRO 8 -5.571 -2.729 -11.408
60 2HD PRO 8 HD2 PRO 8 -5.327 -2.699 -13.207
61 H GLY 9 H GLY 9 -2.443 1.598 -10.801
62 1HA GLY 9 HA1 GLY 9 -3.086 0.926 -7.932
63 2HA GLY 9 HA2 GLY 9 -1.452 1.281 -8.610
64 H GLU 10 H GLU 10 -1.006 3.415 -9.131
65 HA GLU 10 HA GLU 10 -1.067 5.738 -8.420
66 1HB GLU 10 HB1 GLU 10 -3.316 4.993 -10.363
67 2HB GLU 10 HB2 GLU 10 -3.439 6.578 -9.666
68 1HG GLU 10 HG1 GLU 10 -1.891 7.490 -10.841
69 2HG GLU 10 HG2 GLU 10 -0.742 6.130 -10.541
70 H ASP 11 H ASP 11 -1.198 4.999 -6.222
71 HA ASP 11 HA ASP 11 -2.077 5.419 -4.084
72 1HB ASP 11 HB1 ASP 11 -3.279 7.597 -5.785
73 2HB ASP 11 HB2 ASP 11 -4.203 7.160 -4.400
74 H ALA 12 H ALA 12 -2.698 3.285 -3.888
75 HA ALA 12 HA ALA 12 -5.622 2.822 -4.377
76 1HB ALA 12 HB1 ALA 12 -4.214 0.360 -4.073
77 2HB ALA 12 HB2 ALA 12 -5.178 0.974 -5.431
78 3HB ALA 12 HB3 ALA 12 -3.438 1.329 -5.349
79 HA PRO 13 HA PRO 13 -5.932 2.377 -0.017
80 1HB PRO 13 HB1 PRO 13 -8.120 0.589 0.133
81 2HB PRO 13 HB2 PRO 13 -8.184 2.359 -0.129
82 1HG PRO 13 HG1 PRO 13 -8.661 0.155 -2.097
83 2HG PRO 13 HG2 PRO 13 -9.165 1.874 -2.200
84 1HD PRO 13 HD1 PRO 13 -6.984 0.641 -3.524
85 2HD PRO 13 HD2 PRO 13 -7.491 2.371 -3.467
86 H ALA 14 H ALA 14 -5.038 1.047 1.468
87 HA ALA 14 HA ALA 14 -4.224 -0.798 2.538
88 1HB ALA 14 HB1 ALA 14 -6.310 -2.002 1.506
89 2HB ALA 14 HB2 ALA 14 -5.107 -2.710 0.373
90 3HB ALA 14 HB3 ALA 14 -4.914 -2.985 2.105
91 H GLU 15 H GLU 15 -3.895 -1.373 -1.047
92 HA GLU 15 HA GLU 15 -1.391 -2.376 -1.012
93 1HB GLU 15 HB1 GLU 15 -3.196 -1.437 -2.997
94 2HB GLU 15 HB2 GLU 15 -1.720 -0.491 -3.264
95 1HG GLU 15 HG1 GLU 15 -0.502 -2.804 -3.052
96 2HG GLU 15 HG2 GLU 15 -2.137 -3.458 -3.321
97 H ASP 16 H ASP 16 -2.273 0.887 -0.374
98 HA ASP 16 HA ASP 16 0.140 2.182 -0.888
99 1HB ASP 16 HB1 ASP 16 -2.368 2.746 0.454
100 2HB ASP 16 HB2 ASP 16 -1.136 3.175 1.524
101 H LEU 17 H LEU 17 -0.495 -0.228 1.565
102 HA LEU 17 HA LEU 17 1.431 0.634 3.397
103 1HB LEU 17 HB1 LEU 17 0.422 -0.763 4.687
104 2HB LEU 17 HB2 LEU 17 -0.923 -0.702 3.644
105 HG LEU 17 HG LEU 17 1.215 -2.663 3.101
106 1HD1 LEU 17 HD1 LEU 17 0.577 -4.116 4.872
107 2HD1 LEU 17 HD1 LEU 17 0.005 -2.657 5.690
108 3HD1 LEU 17 HD1 LEU 17 -1.057 -3.719 4.710
109 1HD2 LEU 17 HD2 LEU 17 -0.394 -2.674 1.427
110 2HD2 LEU 17 HD2 LEU 17 -0.400 -4.214 2.245
111 3HD2 LEU 17 HD2 LEU 17 -1.687 -3.073 2.613
112 H ALA 18 H ALA 18 0.997 -1.492 0.492
113 HA ALA 18 HA ALA 18 3.518 -2.937 1.055
114 1HB ALA 18 HB1 ALA 18 2.747 -4.237 -0.639
115 2HB ALA 18 HB2 ALA 18 1.283 -3.210 -0.721
116 3HB ALA 18 HB3 ALA 18 2.747 -2.727 -1.620
117 H ARG 19 H ARG 19 2.686 0.199 -0.101
118 HA ARG 19 HA ARG 19 4.982 0.628 -1.802
119 1HB ARG 19 HB1 ARG 19 2.579 1.952 -1.367
120 2HB ARG 19 HB2 ARG 19 3.702 3.003 -0.468
121 1HG ARG 19 HG1 ARG 19 5.189 3.106 -2.489
122 2HG ARG 19 HG2 ARG 19 4.052 2.004 -3.273
123 1HD ARG 19 HD1 ARG 19 3.250 4.010 -4.107
124 2HD ARG 19 HD2 ARG 19 2.233 3.767 -2.652
125 HE ARG 19 HE ARG 19 4.674 5.220 -2.097
126 1HH1 ARG 19 HH1 ARG 19 3.093 8.320 -1.632
127 2HH1 ARG 19 HH1 ARG 19 4.592 7.457 -1.608
128 1HH2 ARG 19 HH2 ARG 19 1.044 7.161 -2.589
129 2HH2 ARG 19 HH2 ARG 19 1.220 5.533 -2.899
130 H TYR 20 H TYR 20 4.077 1.385 1.544
131 HA TYR 20 HA TYR 20 6.534 2.764 2.222
132 1HB TYR 20 HB1 TYR 20 4.704 1.248 4.049
133 2HB TYR 20 HB2 TYR 20 5.717 2.632 4.517
134 HD1 TYR 20 HD1 TYR 20 5.026 4.461 2.220
135 HD2 TYR 20 HD2 TYR 20 2.502 1.936 4.636
136 HE1 TYR 20 HE1 TYR 20 3.109 5.916 1.731
137 HE2 TYR 20 HE2 TYR 20 0.571 3.383 4.113
138 HH TYR 20 HH TYR 20 0.856 6.218 1.933
139 H TYR 21 H TYR 21 5.749 -0.544 1.795
140 HA TYR 21 HA TYR 21 7.643 -1.737 3.607
141 1HB TYR 21 HB1 TYR 21 5.581 -2.601 1.945
142 2HB TYR 21 HB2 TYR 21 6.971 -2.984 0.967
143 HD1 TYR 21 HD1 TYR 21 8.504 -4.702 1.755
144 HD2 TYR 21 HD2 TYR 21 5.110 -3.586 4.105
145 HE1 TYR 21 HE1 TYR 21 8.608 -6.924 2.959
146 HE2 TYR 21 HE2 TYR 21 5.286 -5.680 5.390
147 HH TYR 21 HH TYR 21 6.221 -7.911 5.282
148 H SER 22 H SER 22 7.836 -0.677 0.151
149 HA SER 22 HA SER 22 10.243 -1.770 -0.422
150 1HB SER 22 HB1 SER 22 8.591 0.535 -1.470
151 2HB SER 22 HB2 SER 22 10.304 0.584 -1.747
152 HG SER 22 HG SER 22 8.434 -1.219 -2.702
153 H ALA 23 H ALA 23 9.474 1.342 1.019
154 HA ALA 23 HA ALA 23 12.186 2.330 1.215
155 1HB ALA 23 HB1 ALA 23 9.606 3.386 1.648
156 2HB ALA 23 HB2 ALA 23 10.280 3.351 3.266
157 3HB ALA 23 HB3 ALA 23 11.088 4.244 1.932
158 H LEU 24 H LEU 24 10.014 0.437 3.254
159 HA LEU 24 HA LEU 24 11.777 0.367 5.550
160 1HB LEU 24 HB1 LEU 24 9.147 -0.784 4.773
161 2HB LEU 24 HB2 LEU 24 10.173 -2.032 5.479
162 HG LEU 24 HG LEU 24 9.100 0.575 6.673
163 1HD1 LEU 24 HD1 LEU 24 9.044 -2.404 7.426
164 2HD1 LEU 24 HD1 LEU 24 8.485 -1.094 8.483
165 3HD1 LEU 24 HD1 LEU 24 7.695 -1.363 6.910
166 1HD2 LEU 24 HD2 LEU 24 10.521 -0.393 8.775
167 2HD2 LEU 24 HD2 LEU 24 11.548 -0.946 7.431
168 3HD2 LEU 24 HD2 LEU 24 11.171 0.781 7.646
169 H ARG 25 H ARG 25 11.483 -1.545 2.643
170 HA ARG 25 HA ARG 25 13.252 -3.580 3.561
171 1HB ARG 25 HB1 ARG 25 12.196 -4.119 1.568
172 2HB ARG 25 HB2 ARG 25 12.396 -2.563 0.826
173 1HG ARG 25 HG1 ARG 25 14.569 -2.886 0.148
174 2HG ARG 25 HG2 ARG 25 14.889 -4.211 1.324
175 1HD ARG 25 HD1 ARG 25 13.339 -5.617 0.164
176 2HD ARG 25 HD2 ARG 25 13.047 -4.384 -1.058
177 HE ARG 25 HE ARG 25 15.894 -5.087 -0.563
178 1HH1 ARG 25 HH1 ARG 25 16.243 -6.704 -3.693
179 2HH1 ARG 25 HH1 ARG 25 17.075 -5.983 -2.346
180 1HH2 ARG 25 HH2 ARG 25 13.804 -6.672 -3.738
181 2HH2 ARG 25 HH2 ARG 25 13.014 -6.038 -2.384
182 H HIS 26 H HIS 26 13.826 -0.581 1.647
183 HA HIS 26 HA HIS 26 16.603 -0.896 1.307
184 1HB HIS 26 HB1 HIS 26 15.065 0.995 0.456
185 2HB HIS 26 HB2 HIS 26 15.285 1.785 2.021
186 HD1 HIS 26 HD1 HIS 26 18.030 0.039 -0.155
187 HD2 HIS 26 HD2 HIS 26 16.860 3.774 1.399
188 HE1 HIS 26 HE1 HIS 26 19.958 1.673 -0.628
189 H TYR 27 H TYR 27 14.867 0.583 4.021
190 HA TYR 27 HA TYR 27 17.110 1.266 5.700
191 1HB TYR 27 HB1 TYR 27 14.180 1.098 5.919
192 2HB TYR 27 HB2 TYR 27 15.041 0.724 7.415
193 HD1 TYR 27 HD1 TYR 27 15.049 3.299 4.677
194 HD2 TYR 27 HD2 TYR 27 15.724 2.310 8.815
195 HE1 TYR 27 HE1 TYR 27 15.356 5.678 5.196
196 HE2 TYR 27 HE2 TYR 27 15.801 4.766 9.382
197 HH TYR 27 HH TYR 27 15.213 7.092 8.121
198 H ILE 28 H ILE 28 14.693 -1.318 6.248
199 HA ILE 28 HA ILE 28 16.176 -2.713 8.149
200 HB ILE 28 HB ILE 28 14.286 -3.814 6.120
201 1HG1 ILE 28 1HG1 ILE 28 14.050 -2.756 8.995
202 2HG1 ILE 28 2HG1 ILE 28 13.334 -2.008 7.579
203 1HG2 ILE 28 1HG2 ILE 28 14.017 -5.637 7.526
204 2HG2 ILE 28 2HG2 ILE 28 15.720 -5.625 7.347
205 3HG2 ILE 28 3HG2 ILE 28 15.032 -5.018 8.876
206 1HD1 ILE 28 1HD1 ILE 28 12.494 -4.759 8.645
207 2HD1 ILE 28 2HD1 ILE 28 11.526 -3.306 8.714
208 3HD1 ILE 28 3HD1 ILE 28 11.893 -3.983 7.130
209 H ASN 29 H ASN 29 16.657 -2.554 4.678
210 HA ASN 29 HA ASN 29 18.378 -4.934 4.415
211 1HB ASN 29 HB1 ASN 29 17.298 -4.242 2.418
212 2HB ASN 29 HB2 ASN 29 17.776 -2.581 2.622
213 1HD2 ASN 29 HD2 ASN 29 19.499 -1.700 1.781
214 2HD2 ASN 29 HD2 ASN 29 20.750 -2.627 0.978
215 H LEU 30 H LEU 30 18.895 -1.414 4.340
216 HA LEU 30 HA LEU 30 21.837 -1.675 4.326
217 1HB LEU 30 HB1 LEU 30 21.848 0.762 4.841
218 2HB LEU 30 HB2 LEU 30 21.019 0.200 3.319
219 HG LEU 30 HG LEU 30 19.062 0.380 5.190
220 1HD1 LEU 30 HD1 LEU 30 20.771 2.721 5.928
221 2HD1 LEU 30 HD1 LEU 30 19.215 2.197 6.640
222 3HD1 LEU 30 HD1 LEU 30 20.704 1.275 6.897
223 1HD2 LEU 30 HD2 LEU 30 19.399 1.575 2.802
224 2HD2 LEU 30 HD2 LEU 30 18.194 2.173 3.924
225 3HD2 LEU 30 HD2 LEU 30 19.756 2.979 3.829
226 H ILE 31 H ILE 31 19.507 -0.769 6.828
227 HA ILE 31 HA ILE 31 21.187 -0.427 8.924
228 HB ILE 31 HB ILE 31 18.429 -0.566 8.624
229 1HG1 ILE 31 1HG1 ILE 31 20.004 0.563 10.436
230 2HG1 ILE 31 2HG1 ILE 31 18.242 0.491 10.474
231 1HG2 ILE 31 1HG2 ILE 31 17.409 -2.223 10.139
232 2HG2 ILE 31 2HG2 ILE 31 18.238 -2.851 8.721
233 3HG2 ILE 31 3HG2 ILE 31 18.987 -3.019 10.334
234 1HD1 ILE 31 1HD1 ILE 31 20.076 -1.566 11.790
235 2HD1 ILE 31 2HD1 ILE 31 19.339 -0.162 12.647
236 3HD1 ILE 31 3HD1 ILE 31 18.313 -1.392 12.009
237 H THR 32 H THR 32 20.054 -3.418 7.506
238 HA THR 32 HA THR 32 21.416 -5.003 9.486
239 HB THR 32 HB THR 32 20.676 -6.906 8.060
240 HG1 THR 32 HG1 THR 32 19.368 -5.071 6.544
241 1HG2 THR 32 1HG2 THR 32 19.023 -6.334 9.890
242 2HG2 THR 32 2HG2 THR 32 18.686 -4.853 9.116
243 3HG2 THR 32 3HG2 THR 32 18.102 -6.350 8.371
244 H ARG 33 H ARG 33 21.738 -4.352 6.039
245 HA ARG 33 HA ARG 33 23.811 -5.820 5.327
246 1HB ARG 33 HB1 ARG 33 22.586 -3.739 4.179
247 2HB ARG 33 HB2 ARG 33 24.185 -3.072 4.324
248 1HG ARG 33 HG1 ARG 33 24.383 -5.752 3.270
249 2HG ARG 33 HG2 ARG 33 22.875 -5.136 2.609
250 1HD ARG 33 HD1 ARG 33 23.939 -3.695 1.207
251 2HD ARG 33 HD2 ARG 33 25.189 -3.249 2.407
252 HE ARG 33 HE ARG 33 25.492 -5.947 1.573
253 1HH1 ARG 33 HH1 ARG 33 28.367 -5.194 -0.428
254 2HH1 ARG 33 HH1 ARG 33 27.427 -6.464 0.228
255 1HH2 ARG 33 HH2 ARG 33 27.643 -2.828 -0.091
256 2HH2 ARG 33 HH2 ARG 33 26.191 -2.581 0.736
257 H GLN 34 H GLN 34 23.969 -2.745 6.952
258 HA GLN 34 HA GLN 34 26.859 -2.575 7.160
259 1HB GLN 34 HB1 GLN 34 26.513 -0.635 8.447
260 2HB GLN 34 HB2 GLN 34 25.457 -0.541 7.024
261 1HG GLN 34 HG1 GLN 34 23.666 -0.174 8.343
262 2HG GLN 34 HG2 GLN 34 23.861 -1.792 8.972
263 1HE2 GLN 34 1HE2 GLN 34 22.697 -0.477 10.645
264 2HE2 GLN 34 2HE2 GLN 34 23.718 0.313 11.879
265 H ARG 35 H ARG 35 24.254 -3.970 9.040
266 HA ARG 35 HA ARG 35 26.127 -4.737 11.275
267 1HB ARG 35 HB1 ARG 35 23.189 -3.912 11.382
268 2HB ARG 35 HB2 ARG 35 23.990 -4.890 12.644
269 1HG ARG 35 HG1 ARG 35 25.700 -3.203 12.939
270 2HG ARG 35 HG2 ARG 35 24.991 -2.226 11.714
271 1HD ARG 35 HD1 ARG 35 23.342 -1.425 13.133
272 2HD ARG 35 HD2 ARG 35 22.938 -3.045 13.692
273 HE ARG 35 HE ARG 35 25.388 -2.442 14.829
274 1HH1 ARG 35 HH1 ARG 35 24.323 -0.639 17.690
275 2HH1 ARG 35 HH1 ARG 35 25.603 -1.559 16.973
276 1HH2 ARG 35 HH2 ARG 35 22.298 -0.270 16.423
277 2HH2 ARG 35 HH2 ARG 35 22.180 -0.984 14.855
278 H TYR 36 H TYR 36 22.808 -5.741 10.658
279 HA TYR 36 HA TYR 36 23.449 -8.450 10.946
280 1HB TYR 36 HB1 TYR 36 21.350 -7.607 11.768
281 2HB TYR 36 HB2 TYR 36 20.978 -7.013 10.180
282 HD1 TYR 36 HD1 TYR 36 21.968 -10.327 11.644
283 HD2 TYR 36 HD2 TYR 36 19.249 -8.288 8.936
284 HE1 TYR 36 HE1 TYR 36 20.897 -12.435 11.010
285 HE2 TYR 36 HE2 TYR 36 18.151 -10.255 8.459
286 HH TYR 36 HH TYR 36 18.089 -12.535 8.757
287 1HN NH2 37 HN1 NH2 237 25.194 -7.969 8.931
288 2HN NH2 37 HN2 NH2 237 24.594 -8.470 7.334
Start of MODEL 8
1 1H TYR 1 HN1 TYR 1 18.498 14.974 -16.344
2 2H TYR 1 HN2 TYR 1 18.980 13.940 -15.135
3 3H TYR 1 HN3 TYR 1 20.072 14.642 -16.147
4 HA TYR 1 HA TYR 1 19.597 13.500 -17.965
5 1HB TYR 1 HB1 TYR 1 19.778 11.816 -15.546
6 2HB TYR 1 HB2 TYR 1 18.854 11.044 -16.822
7 HD1 TYR 1 HD1 TYR 1 20.025 9.494 -17.985
8 HD2 TYR 1 HD2 TYR 1 21.974 13.146 -16.823
9 HE1 TYR 1 HE1 TYR 1 22.123 8.744 -19.137
10 HE2 TYR 1 HE2 TYR 1 24.084 12.355 -17.993
11 HH TYR 1 HH TYR 1 24.363 11.033 -20.089
12 HA PRO 2 HA PRO 2 15.262 11.875 -18.102
13 1HB PRO 2 HB1 PRO 2 13.529 11.880 -15.976
14 2HB PRO 2 HB2 PRO 2 14.617 10.540 -16.411
15 1HG PRO 2 HG1 PRO 2 14.840 12.460 -14.179
16 2HG PRO 2 HG2 PRO 2 15.551 10.837 -14.334
17 1HD PRO 2 HD1 PRO 2 16.872 13.357 -14.713
18 2HD PRO 2 HD2 PRO 2 17.512 11.726 -15.068
19 H SER 3 H SER 3 14.142 14.087 -15.510
20 HA SER 3 HA SER 3 13.965 16.419 -17.093
21 1HB SER 3 HB1 SER 3 12.092 15.051 -18.217
22 2HB SER 3 HB2 SER 3 11.215 15.215 -16.674
23 HG SER 3 HG SER 3 12.149 17.600 -17.425
24 H LYS 4 H LYS 4 12.223 14.497 -14.589
25 HA LYS 4 HA LYS 4 12.993 16.242 -12.404
26 1HB LYS 4 HB1 LYS 4 11.270 17.669 -13.456
27 2HB LYS 4 HB2 LYS 4 10.130 16.355 -13.424
28 1HG LYS 4 HG1 LYS 4 9.473 16.956 -11.404
29 2HG LYS 4 HG2 LYS 4 11.061 16.551 -10.742
30 1HD LYS 4 HD1 LYS 4 11.900 18.765 -11.015
31 2HD LYS 4 HD2 LYS 4 10.536 19.287 -12.002
32 1HE LYS 4 HE1 LYS 4 9.772 18.175 -9.344
33 2HE LYS 4 HE2 LYS 4 10.749 19.637 -9.233
34 1HZ LYS 4 HZ1 LYS 4 8.978 20.863 -10.039
35 2HZ LYS 4 HZ2 LYS 4 8.504 19.670 -11.073
36 3HZ LYS 4 HZ3 LYS 4 8.115 19.539 -9.544
37 HA PRO 5 HA PRO 5 11.753 11.818 -11.569
38 1HB PRO 5 HB1 PRO 5 14.011 11.228 -10.025
39 2HB PRO 5 HB2 PRO 5 13.855 10.922 -11.765
40 1HG PRO 5 HG1 PRO 5 15.423 12.991 -10.345
41 2HG PRO 5 HG2 PRO 5 15.623 12.384 -12.027
42 1HD PRO 5 HD1 PRO 5 14.329 14.825 -11.089
43 2HD PRO 5 HD2 PRO 5 14.491 14.278 -12.771
44 H ASP 6 H ASP 6 10.037 13.065 -10.415
45 HA ASP 6 HA ASP 6 10.059 12.428 -7.664
46 1HB ASP 6 HB1 ASP 6 11.527 14.671 -7.787
47 2HB ASP 6 HB2 ASP 6 9.977 15.456 -7.950
48 H ASN 7 H ASN 7 8.153 11.438 -8.907
49 HA ASN 7 HA ASN 7 5.942 13.386 -9.414
50 1HB ASN 7 HB1 ASN 7 4.868 11.743 -10.710
51 2HB ASN 7 HB2 ASN 7 6.502 11.983 -11.336
52 1HD2 ASN 7 HD2 ASN 7 8.088 10.201 -10.889
53 2HD2 ASN 7 HD2 ASN 7 7.524 8.653 -10.315
54 HA PRO 8 HA PRO 8 3.765 11.793 -5.857
55 1HB PRO 8 HB1 PRO 8 1.129 12.444 -6.519
56 2HB PRO 8 HB2 PRO 8 2.352 13.543 -5.877
57 1HG PRO 8 HG1 PRO 8 1.326 13.342 -8.642
58 2HG PRO 8 HG2 PRO 8 2.006 14.734 -7.794
59 1HD PRO 8 HD1 PRO 8 3.320 13.009 -9.658
60 2HD PRO 8 HD2 PRO 8 4.081 14.285 -8.682
61 H GLY 9 H GLY 9 1.217 10.580 -5.902
62 1HA GLY 9 HA1 GLY 9 1.422 8.234 -7.655
63 2HA GLY 9 HA2 GLY 9 1.444 7.951 -5.896
64 H GLU 10 H GLU 10 -0.670 6.924 -6.201
65 HA GLU 10 HA GLU 10 -2.882 8.832 -6.676
66 1HB GLU 10 HB1 GLU 10 -2.068 6.952 -8.505
67 2HB GLU 10 HB2 GLU 10 -3.236 6.013 -7.594
68 1HG GLU 10 HG1 GLU 10 -4.960 7.124 -8.576
69 2HG GLU 10 HG2 GLU 10 -4.270 8.727 -8.247
70 H ASP 11 H ASP 11 -4.807 6.682 -6.307
71 HA ASP 11 HA ASP 11 -4.867 7.008 -3.434
72 1HB ASP 11 HB1 ASP 11 -6.858 7.147 -5.109
73 2HB ASP 11 HB2 ASP 11 -6.976 5.379 -4.917
74 H ALA 12 H ALA 12 -5.391 4.099 -5.452
75 HA ALA 12 HA ALA 12 -4.882 1.928 -5.252
76 1HB ALA 12 HB1 ALA 12 -2.171 2.638 -4.124
77 2HB ALA 12 HB2 ALA 12 -2.645 1.381 -5.284
78 3HB ALA 12 HB3 ALA 12 -2.624 3.080 -5.771
79 HA PRO 13 HA PRO 13 -5.887 2.038 -0.695
80 1HB PRO 13 HB1 PRO 13 -8.041 0.245 -0.829
81 2HB PRO 13 HB2 PRO 13 -8.223 2.006 -0.947
82 1HG PRO 13 HG1 PRO 13 -8.369 -0.003 -3.089
83 2HG PRO 13 HG2 PRO 13 -9.072 1.645 -2.990
84 1HD PRO 13 HD1 PRO 13 -6.742 0.801 -4.414
85 2HD PRO 13 HD2 PRO 13 -7.240 2.495 -4.185
86 H ALA 14 H ALA 14 -5.106 0.585 0.725
87 HA ALA 14 HA ALA 14 -4.262 -1.290 1.661
88 1HB ALA 14 HB1 ALA 14 -6.244 -2.518 0.484
89 2HB ALA 14 HB2 ALA 14 -5.021 -3.044 -0.711
90 3HB ALA 14 HB3 ALA 14 -4.820 -3.463 0.994
91 H GLU 15 H GLU 15 -3.658 -1.525 -1.922
92 HA GLU 15 HA GLU 15 -1.146 -2.416 -1.701
93 1HB GLU 15 HB1 GLU 15 -2.772 -1.486 -3.816
94 2HB GLU 15 HB2 GLU 15 -1.275 -0.570 -3.936
95 1HG GLU 15 HG1 GLU 15 -0.799 -2.519 -5.189
96 2HG GLU 15 HG2 GLU 15 -0.081 -2.846 -3.606
97 H ASP 16 H ASP 16 -2.152 0.914 -1.180
98 HA ASP 16 HA ASP 16 0.321 2.135 -1.324
99 1HB ASP 16 HB1 ASP 16 -2.260 2.779 -0.315
100 2HB ASP 16 HB2 ASP 16 -1.231 3.038 1.061
101 H LEU 17 H LEU 17 -0.613 -0.333 1.051
102 HA LEU 17 HA LEU 17 1.215 0.460 3.049
103 1HB LEU 17 HB1 LEU 17 0.166 -1.133 4.192
104 2HB LEU 17 HB2 LEU 17 -1.033 -1.101 2.975
105 HG LEU 17 HG LEU 17 1.225 -2.906 2.644
106 1HD1 LEU 17 HD1 LEU 17 0.363 -4.635 4.118
107 2HD1 LEU 17 HD1 LEU 17 0.195 -3.144 5.081
108 3HD1 LEU 17 HD1 LEU 17 -1.230 -3.822 4.224
109 1HD2 LEU 17 HD2 LEU 17 -0.225 -4.521 1.635
110 2HD2 LEU 17 HD2 LEU 17 -1.615 -3.466 1.889
111 3HD2 LEU 17 HD2 LEU 17 -0.294 -2.968 0.794
112 H ALA 18 H ALA 18 1.162 -1.563 0.105
113 HA ALA 18 HA ALA 18 3.693 -2.855 0.579
114 1HB ALA 18 HB1 ALA 18 2.290 -2.466 -2.104
115 2HB ALA 18 HB2 ALA 18 3.377 -3.773 -1.650
116 3HB ALA 18 HB3 ALA 18 1.771 -3.680 -0.938
117 H ARG 19 H ARG 19 2.951 0.326 -0.162
118 HA ARG 19 HA ARG 19 5.287 0.882 -1.788
119 1HB ARG 19 HB1 ARG 19 2.929 2.081 -1.643
120 2HB ARG 19 HB2 ARG 19 3.670 2.911 -0.285
121 1HG ARG 19 HG1 ARG 19 5.222 2.882 -2.868
122 2HG ARG 19 HG2 ARG 19 3.671 3.699 -2.883
123 1HD ARG 19 HD1 ARG 19 4.729 4.809 -0.602
124 2HD ARG 19 HD2 ARG 19 6.203 4.527 -1.568
125 HE ARG 19 HE ARG 19 4.075 5.719 -3.115
126 1HH1 ARG 19 HH1 ARG 19 4.699 9.088 -2.538
127 2HH1 ARG 19 HH1 ARG 19 3.873 7.927 -3.537
128 1HH2 ARG 19 HH2 ARG 19 6.327 8.331 -0.962
129 2HH2 ARG 19 HH2 ARG 19 6.593 6.607 -0.897
130 H TYR 20 H TYR 20 4.109 1.279 1.600
131 HA TYR 20 HA TYR 20 6.420 2.724 2.482
132 1HB TYR 20 HB1 TYR 20 5.490 2.668 4.582
133 2HB TYR 20 HB2 TYR 20 4.037 2.291 3.647
134 HD1 TYR 20 HD1 TYR 20 6.736 0.772 5.778
135 HD2 TYR 20 HD2 TYR 20 2.672 0.619 4.504
136 HE1 TYR 20 HE1 TYR 20 6.445 -1.407 6.949
137 HE2 TYR 20 HE2 TYR 20 2.423 -1.678 5.463
138 HH TYR 20 HH TYR 20 5.090 -3.266 7.261
139 H TYR 21 H TYR 21 5.594 -0.590 2.203
140 HA TYR 21 HA TYR 21 7.608 -1.770 3.699
141 1HB TYR 21 HB1 TYR 21 5.526 -2.661 2.018
142 2HB TYR 21 HB2 TYR 21 6.968 -3.175 1.163
143 HD1 TYR 21 HD1 TYR 21 8.663 -4.681 2.339
144 HD2 TYR 21 HD2 TYR 21 4.712 -3.892 3.860
145 HE1 TYR 21 HE1 TYR 21 8.801 -6.711 3.765
146 HE2 TYR 21 HE2 TYR 21 4.843 -5.947 5.247
147 HH TYR 21 HH TYR 21 7.894 -7.699 5.670
148 H SER 22 H SER 22 7.776 -0.939 0.145
149 HA SER 22 HA SER 22 10.288 -1.811 -0.353
150 1HB SER 22 HB1 SER 22 9.026 0.759 -1.343
151 2HB SER 22 HB2 SER 22 10.338 -0.122 -2.147
152 HG SER 22 HG SER 22 8.850 -1.415 -2.949
153 H ALA 23 H ALA 23 9.356 1.309 1.107
154 HA ALA 23 HA ALA 23 12.070 2.405 1.200
155 1HB ALA 23 HB1 ALA 23 9.389 3.123 2.376
156 2HB ALA 23 HB2 ALA 23 10.847 3.772 3.147
157 3HB ALA 23 HB3 ALA 23 10.525 4.104 1.431
158 H LEU 24 H LEU 24 9.924 0.628 3.455
159 HA LEU 24 HA LEU 24 11.846 0.490 5.546
160 1HB LEU 24 HB1 LEU 24 9.390 -1.133 4.809
161 2HB LEU 24 HB2 LEU 24 10.542 -1.862 5.885
162 HG LEU 24 HG LEU 24 8.802 0.523 6.414
163 1HD1 LEU 24 HD1 LEU 24 8.111 -0.846 8.240
164 2HD1 LEU 24 HD1 LEU 24 8.478 -2.084 7.007
165 3HD1 LEU 24 HD1 LEU 24 9.640 -1.722 8.279
166 1HD2 LEU 24 HD2 LEU 24 11.400 -0.200 7.734
167 2HD2 LEU 24 HD2 LEU 24 10.887 1.416 7.165
168 3HD2 LEU 24 HD2 LEU 24 10.124 0.691 8.585
169 H ARG 25 H ARG 25 11.441 -1.614 2.661
170 HA ARG 25 HA ARG 25 13.347 -3.495 3.542
171 1HB ARG 25 HB1 ARG 25 12.162 -4.174 1.605
172 2HB ARG 25 HB2 ARG 25 12.253 -2.607 0.829
173 1HG ARG 25 HG1 ARG 25 14.440 -2.841 0.093
174 2HG ARG 25 HG2 ARG 25 14.819 -4.138 1.238
175 1HD ARG 25 HD1 ARG 25 13.745 -5.761 0.071
176 2HD ARG 25 HD2 ARG 25 12.725 -4.626 -0.859
177 HE ARG 25 HE ARG 25 15.094 -3.859 -1.781
178 1HH1 ARG 25 HH1 ARG 25 16.194 -6.532 -3.853
179 2HH1 ARG 25 HH1 ARG 25 16.516 -4.911 -3.373
180 1HH2 ARG 25 HH2 ARG 25 14.648 -7.849 -2.581
181 2HH2 ARG 25 HH2 ARG 25 13.695 -7.010 -1.394
182 H HIS 26 H HIS 26 13.736 -0.506 1.547
183 HA HIS 26 HA HIS 26 16.450 -0.830 1.161
184 1HB HIS 26 HB1 HIS 26 14.903 1.029 0.253
185 2HB HIS 26 HB2 HIS 26 15.150 1.865 1.761
186 HD1 HIS 26 HD1 HIS 26 17.902 0.203 -0.488
187 HD2 HIS 26 HD2 HIS 26 16.698 3.833 1.274
188 HE1 HIS 26 HE1 HIS 26 19.735 1.898 -0.993
189 H TYR 27 H TYR 27 14.814 0.759 3.906
190 HA TYR 27 HA TYR 27 17.172 1.280 5.422
191 1HB TYR 27 HB1 TYR 27 14.246 1.216 5.973
192 2HB TYR 27 HB2 TYR 27 15.327 0.908 7.337
193 HD1 TYR 27 HD1 TYR 27 14.341 3.514 4.909
194 HD2 TYR 27 HD2 TYR 27 16.926 2.478 8.171
195 HE1 TYR 27 HE1 TYR 27 14.605 5.947 5.503
196 HE2 TYR 27 HE2 TYR 27 17.506 4.892 8.448
197 HH TYR 27 HH TYR 27 15.489 7.231 7.860
198 H ILE 28 H ILE 28 14.782 -1.254 6.129
199 HA ILE 28 HA ILE 28 16.267 -2.561 7.993
200 HB ILE 28 HB ILE 28 14.230 -3.754 6.150
201 1HG1 ILE 28 1HG1 ILE 28 14.097 -2.652 8.984
202 2HG1 ILE 28 2HG1 ILE 28 13.405 -1.926 7.549
203 1HG2 ILE 28 1HG2 ILE 28 15.940 -5.156 8.056
204 2HG2 ILE 28 2HG2 ILE 28 14.290 -5.202 8.637
205 3HG2 ILE 28 3HG2 ILE 28 14.643 -5.786 7.004
206 1HD1 ILE 28 1HD1 ILE 28 12.389 -4.278 9.118
207 2HD1 ILE 28 2HD1 ILE 28 11.539 -2.893 8.463
208 3HD1 ILE 28 3HD1 ILE 28 12.045 -4.191 7.378
209 H ASN 29 H ASN 29 16.677 -2.773 4.530
210 HA ASN 29 HA ASN 29 18.414 -5.053 4.378
211 1HB ASN 29 HB1 ASN 29 17.294 -4.114 2.373
212 2HB ASN 29 HB2 ASN 29 18.053 -2.594 2.671
213 1HD2 ASN 29 HD2 ASN 29 18.713 -5.802 1.400
214 2HD2 ASN 29 HD2 ASN 29 20.191 -5.296 0.580
215 H LEU 30 H LEU 30 19.003 -1.535 4.528
216 HA LEU 30 HA LEU 30 21.905 -1.881 4.577
217 1HB LEU 30 HB1 LEU 30 22.153 0.454 4.688
218 2HB LEU 30 HB2 LEU 30 21.011 0.006 3.439
219 HG LEU 30 HG LEU 30 19.191 0.672 5.017
220 1HD1 LEU 30 HD1 LEU 30 21.345 1.256 6.872
221 2HD1 LEU 30 HD1 LEU 30 20.442 2.723 6.501
222 3HD1 LEU 30 HD1 LEU 30 19.576 1.318 7.104
223 1HD2 LEU 30 HD2 LEU 30 21.045 2.452 3.539
224 2HD2 LEU 30 HD2 LEU 30 19.336 2.062 3.267
225 3HD2 LEU 30 HD2 LEU 30 19.780 3.232 4.513
226 H ILE 31 H ILE 31 19.495 -0.961 6.931
227 HA ILE 31 HA ILE 31 21.056 -0.477 9.169
228 HB ILE 31 HB ILE 31 18.365 -0.581 8.481
229 1HG1 ILE 31 1HG1 ILE 31 19.540 0.941 10.125
230 2HG1 ILE 31 2HG1 ILE 31 17.825 0.573 10.273
231 1HG2 ILE 31 1HG2 ILE 31 18.803 -2.688 10.642
232 2HG2 ILE 31 2HG2 ILE 31 17.236 -1.989 10.131
233 3HG2 ILE 31 3HG2 ILE 31 18.195 -2.957 9.006
234 1HD1 ILE 31 1HD1 ILE 31 19.068 0.525 12.454
235 2HD1 ILE 31 2HD1 ILE 31 18.175 -0.951 12.071
236 3HD1 ILE 31 3HD1 ILE 31 19.938 -0.917 11.853
237 H THR 32 H THR 32 19.846 -3.582 7.766
238 HA THR 32 HA THR 32 21.032 -5.148 9.831
239 HB THR 32 HB THR 32 20.625 -7.062 8.340
240 HG1 THR 32 HG1 THR 32 20.663 -6.419 6.324
241 1HG2 THR 32 1HG2 THR 32 18.909 -6.886 9.729
242 2HG2 THR 32 2HG2 THR 32 18.430 -5.249 9.218
243 3HG2 THR 32 3HG2 THR 32 18.050 -6.658 8.187
244 H ARG 33 H ARG 33 22.041 -4.234 6.559
245 HA ARG 33 HA ARG 33 24.255 -5.760 6.222
246 1HB ARG 33 HB1 ARG 33 23.199 -3.550 5.024
247 2HB ARG 33 HB2 ARG 33 24.781 -2.979 5.456
248 1HG ARG 33 HG1 ARG 33 25.192 -3.849 3.374
249 2HG ARG 33 HG2 ARG 33 25.540 -5.276 4.329
250 1HD ARG 33 HD1 ARG 33 23.279 -6.167 3.886
251 2HD ARG 33 HD2 ARG 33 22.800 -4.618 3.133
252 HE ARG 33 HE ARG 33 25.018 -5.503 1.679
253 1HH1 ARG 33 HH1 ARG 33 23.222 -7.491 -0.682
254 2HH1 ARG 33 HH1 ARG 33 24.682 -6.571 -0.425
255 1HH2 ARG 33 HH2 ARG 33 21.489 -7.432 0.913
256 2HH2 ARG 33 HH2 ARG 33 21.651 -6.381 2.277
257 H GLN 34 H GLN 34 24.121 -2.569 7.797
258 HA GLN 34 HA GLN 34 26.672 -2.465 8.939
259 1HB GLN 34 HB1 GLN 34 23.997 -1.301 9.730
260 2HB GLN 34 HB2 GLN 34 25.391 -1.167 10.810
261 1HG GLN 34 HG1 GLN 34 25.857 0.724 9.788
262 2HG GLN 34 HG2 GLN 34 26.578 -0.248 8.532
263 1HE2 GLN 34 1HE2 GLN 34 25.808 0.140 6.465
264 2HE2 GLN 34 2HE2 GLN 34 24.396 1.089 6.125
265 H ARG 35 H ARG 35 23.800 -3.794 10.630
266 HA ARG 35 HA ARG 35 25.293 -5.849 11.980
267 1HB ARG 35 HB1 ARG 35 25.104 -4.700 14.321
268 2HB ARG 35 HB2 ARG 35 26.467 -4.423 13.267
269 1HG ARG 35 HG1 ARG 35 25.665 -2.329 14.372
270 2HG ARG 35 HG2 ARG 35 25.759 -2.229 12.636
271 1HD ARG 35 HD1 ARG 35 23.658 -1.211 13.220
272 2HD ARG 35 HD2 ARG 35 23.216 -2.767 12.564
273 HE ARG 35 HE ARG 35 23.620 -3.279 15.249
274 1HH1 ARG 35 HH1 ARG 35 20.492 -2.361 16.545
275 2HH1 ARG 35 HH1 ARG 35 22.034 -3.073 16.871
276 1HH2 ARG 35 HH2 ARG 35 20.162 -1.281 14.403
277 2HH2 ARG 35 HH2 ARG 35 21.370 -1.586 13.191
278 H TYR 36 H TYR 36 22.984 -6.128 10.761
279 HA TYR 36 HA TYR 36 20.936 -7.000 10.997
280 1HB TYR 36 HB1 TYR 36 21.536 -8.615 12.378
281 2HB TYR 36 HB2 TYR 36 22.233 -7.583 13.587
282 HD1 TYR 36 HD1 TYR 36 19.360 -9.563 12.812
283 HD2 TYR 36 HD2 TYR 36 20.626 -6.050 14.971
284 HE1 TYR 36 HE1 TYR 36 17.494 -9.837 14.356
285 HE2 TYR 36 HE2 TYR 36 18.649 -6.169 16.361
286 HH TYR 36 HH TYR 36 16.778 -7.604 17.015
287 1HN NH2 37 HN1 NH2 237 18.686 -6.644 12.028
288 2HN NH2 37 HN2 NH2 237 18.304 -5.004 12.478
Start of MODEL 9
1 1H TYR 1 HN1 TYR 1 15.485 22.211 8.698
2 2H TYR 1 HN2 TYR 1 15.639 20.840 9.522
3 3H TYR 1 HN3 TYR 1 16.995 21.749 9.194
4 HA TYR 1 HA TYR 1 16.798 21.207 6.863
5 1HB TYR 1 HB1 TYR 1 16.726 18.755 8.614
6 2HB TYR 1 HB2 TYR 1 16.869 18.689 6.884
7 HD1 TYR 1 HD1 TYR 1 18.955 19.011 5.753
8 HD2 TYR 1 HD2 TYR 1 18.497 20.287 9.866
9 HE1 TYR 1 HE1 TYR 1 21.352 19.437 5.899
10 HE2 TYR 1 HE2 TYR 1 20.858 20.776 9.969
11 HH TYR 1 HH TYR 1 22.981 19.973 8.905
12 HA PRO 2 HA PRO 2 12.503 20.277 5.658
13 1HB PRO 2 HB1 PRO 2 12.899 19.186 3.149
14 2HB PRO 2 HB2 PRO 2 12.949 20.934 3.509
15 1HG PRO 2 HG1 PRO 2 15.199 19.039 2.941
16 2HG PRO 2 HG2 PRO 2 15.128 20.809 2.729
17 1HD PRO 2 HD1 PRO 2 16.322 19.335 4.820
18 2HD PRO 2 HD2 PRO 2 16.096 21.126 4.726
19 H SER 3 H SER 3 11.159 18.415 4.943
20 HA SER 3 HA SER 3 12.016 15.991 6.417
21 1HB SER 3 HB1 SER 3 9.446 17.330 6.252
22 2HB SER 3 HB2 SER 3 9.307 15.754 5.470
23 HG SER 3 HG SER 3 9.270 15.029 7.471
24 H LYS 4 H LYS 4 12.168 14.150 5.441
25 HA LYS 4 HA LYS 4 12.327 14.081 2.503
26 1HB LYS 4 HB1 LYS 4 13.487 12.497 4.654
27 2HB LYS 4 HB2 LYS 4 12.437 11.441 3.712
28 1HG LYS 4 HG1 LYS 4 14.325 11.139 2.558
29 2HG LYS 4 HG2 LYS 4 13.587 12.487 1.630
30 1HD LYS 4 HD1 LYS 4 15.048 13.714 3.675
31 2HD LYS 4 HD2 LYS 4 16.006 12.316 3.392
32 1HE LYS 4 HE1 LYS 4 15.264 13.649 0.802
33 2HE LYS 4 HE2 LYS 4 15.894 14.779 1.955
34 1HZ LYS 4 HZ1 LYS 4 17.703 13.878 0.732
35 2HZ LYS 4 HZ2 LYS 4 17.824 13.417 2.274
36 3HZ LYS 4 HZ3 LYS 4 17.334 12.340 1.127
37 HA PRO 5 HA PRO 5 8.622 11.250 2.886
38 1HB PRO 5 HB1 PRO 5 7.243 11.089 5.335
39 2HB PRO 5 HB2 PRO 5 8.418 9.914 4.715
40 1HG PRO 5 HG1 PRO 5 8.633 11.900 6.830
41 2HG PRO 5 HG2 PRO 5 9.705 10.494 6.540
42 1HD PRO 5 HD1 PRO 5 10.114 13.290 5.968
43 2HD PRO 5 HD2 PRO 5 11.223 11.914 5.584
44 H ASP 6 H ASP 6 6.610 12.068 2.181
45 HA ASP 6 HA ASP 6 4.966 13.975 3.441
46 1HB ASP 6 HB1 ASP 6 5.342 15.733 1.736
47 2HB ASP 6 HB2 ASP 6 6.705 15.491 2.794
48 H ASN 7 H ASN 7 3.459 14.628 1.666
49 HA ASN 7 HA ASN 7 1.609 13.940 0.414
50 1HB ASN 7 HB1 ASN 7 3.978 12.978 -1.122
51 2HB ASN 7 HB2 ASN 7 2.368 12.402 -1.550
52 1HD2 ASN 7 HD2 ASN 7 3.755 13.774 -3.437
53 2HD2 ASN 7 HD2 ASN 7 2.958 15.332 -3.672
54 HA PRO 8 HA PRO 8 1.044 9.972 2.573
55 1HB PRO 8 HB1 PRO 8 -1.681 10.358 3.163
56 2HB PRO 8 HB2 PRO 8 -0.280 10.829 4.159
57 1HG PRO 8 HG1 PRO 8 -2.067 12.559 2.588
58 2HG PRO 8 HG2 PRO 8 -0.981 12.927 3.970
59 1HD PRO 8 HD1 PRO 8 -0.541 13.263 1.102
60 2HD PRO 8 HD2 PRO 8 0.515 13.789 2.451
61 H GLY 9 H GLY 9 -0.762 8.220 2.065
62 1HA GLY 9 HA1 GLY 9 -1.585 8.209 -0.820
63 2HA GLY 9 HA2 GLY 9 -0.848 6.797 -0.048
64 H GLU 10 H GLU 10 -2.084 5.522 1.253
65 HA GLU 10 HA GLU 10 -3.877 4.548 2.155
66 1HB GLU 10 HB1 GLU 10 -4.702 7.390 2.759
67 2HB GLU 10 HB2 GLU 10 -5.672 5.980 3.153
68 1HG GLU 10 HG1 GLU 10 -2.931 5.439 4.005
69 2HG GLU 10 HG2 GLU 10 -3.415 7.047 4.585
70 H ASP 11 H ASP 11 -4.307 3.547 0.250
71 HA ASP 11 HA ASP 11 -6.718 4.590 -1.268
72 1HB ASP 11 HB1 ASP 11 -4.013 4.203 -2.214
73 2HB ASP 11 HB2 ASP 11 -5.022 2.974 -2.967
74 H ALA 12 H ALA 12 -4.838 1.689 -0.961
75 HA ALA 12 HA ALA 12 -7.343 0.072 -0.741
76 1HB ALA 12 HB1 ALA 12 -4.891 -0.364 -2.413
77 2HB ALA 12 HB2 ALA 12 -5.722 -1.772 -1.732
78 3HB ALA 12 HB3 ALA 12 -6.615 -0.620 -2.749
79 HA PRO 13 HA PRO 13 -5.774 -1.211 3.143
80 1HB PRO 13 HB1 PRO 13 -6.879 -3.785 3.336
81 2HB PRO 13 HB2 PRO 13 -7.718 -2.245 3.704
82 1HG PRO 13 HG1 PRO 13 -8.076 -4.053 1.342
83 2HG PRO 13 HG2 PRO 13 -9.166 -2.804 2.013
84 1HD PRO 13 HD1 PRO 13 -7.408 -2.616 -0.222
85 2HD PRO 13 HD2 PRO 13 -8.458 -1.336 0.494
86 H ALA 14 H ALA 14 -3.882 -2.258 3.724
87 HA ALA 14 HA ALA 14 -2.129 -3.704 3.884
88 1HB ALA 14 HB1 ALA 14 -2.583 -5.883 3.688
89 2HB ALA 14 HB2 ALA 14 -4.038 -5.557 2.718
90 3HB ALA 14 HB3 ALA 14 -2.469 -5.760 1.954
91 H GLU 15 H GLU 15 -3.059 -3.645 0.450
92 HA GLU 15 HA GLU 15 -0.691 -3.440 -0.832
93 1HB GLU 15 HB1 GLU 15 -3.408 -3.012 -1.503
94 2HB GLU 15 HB2 GLU 15 -2.607 -1.538 -2.040
95 1HG GLU 15 HG1 GLU 15 -1.099 -2.885 -3.424
96 2HG GLU 15 HG2 GLU 15 -1.768 -4.400 -2.758
97 H ASP 16 H ASP 16 -2.313 -0.773 0.871
98 HA ASP 16 HA ASP 16 -0.451 1.231 0.313
99 1HB ASP 16 HB1 ASP 16 -2.670 0.908 1.997
100 2HB ASP 16 HB2 ASP 16 -1.400 1.342 3.117
101 H LEU 17 H LEU 17 -0.436 -1.014 2.965
102 HA LEU 17 HA LEU 17 1.995 -0.079 4.193
103 1HB LEU 17 HB1 LEU 17 1.365 -1.504 5.778
104 2HB LEU 17 HB2 LEU 17 0.092 -2.114 4.739
105 HG LEU 17 HG LEU 17 1.592 -3.789 3.821
106 1HD1 LEU 17 HD1 LEU 17 3.909 -3.586 4.094
107 2HD1 LEU 17 HD1 LEU 17 3.696 -2.274 5.274
108 3HD1 LEU 17 HD1 LEU 17 3.681 -3.956 5.801
109 1HD2 LEU 17 HD2 LEU 17 0.212 -4.331 5.767
110 2HD2 LEU 17 HD2 LEU 17 1.743 -5.210 5.825
111 3HD2 LEU 17 HD2 LEU 17 1.502 -3.751 6.845
112 H ALA 18 H ALA 18 1.287 -2.358 1.606
113 HA ALA 18 HA ALA 18 3.874 -3.479 1.247
114 1HB ALA 18 HB1 ALA 18 1.562 -3.987 0.042
115 2HB ALA 18 HB2 ALA 18 2.226 -2.889 -1.183
116 3HB ALA 18 HB3 ALA 18 3.103 -4.354 -0.739
117 H ARG 19 H ARG 19 2.631 -0.306 0.373
118 HA ARG 19 HA ARG 19 4.773 0.554 -1.349
119 1HB ARG 19 HB1 ARG 19 2.458 1.526 -1.017
120 2HB ARG 19 HB2 ARG 19 3.075 2.309 0.451
121 1HG ARG 19 HG1 ARG 19 4.322 3.796 -0.534
122 2HG ARG 19 HG2 ARG 19 4.889 2.736 -1.819
123 1HD ARG 19 HD1 ARG 19 1.975 3.498 -1.945
124 2HD ARG 19 HD2 ARG 19 3.170 4.797 -2.185
125 HE ARG 19 HE ARG 19 3.971 2.564 -3.733
126 1HH1 ARG 19 HH1 ARG 19 2.515 3.614 -6.784
127 2HH1 ARG 19 HH1 ARG 19 3.711 2.584 -6.082
128 1HH2 ARG 19 HH2 ARG 19 1.326 5.180 -5.402
129 2HH2 ARG 19 HH2 ARG 19 1.460 5.061 -3.691
130 H TYR 20 H TYR 20 4.097 0.988 2.089
131 HA TYR 20 HA TYR 20 6.536 2.436 2.796
132 1HB TYR 20 HB1 TYR 20 4.862 2.651 4.369
133 2HB TYR 20 HB2 TYR 20 4.469 0.927 4.363
134 HD1 TYR 20 HD1 TYR 20 7.608 2.928 5.095
135 HD2 TYR 20 HD2 TYR 20 4.868 -0.186 6.279
136 HE1 TYR 20 HE1 TYR 20 8.900 2.557 7.127
137 HE2 TYR 20 HE2 TYR 20 6.176 -0.587 8.282
138 HH TYR 20 HH TYR 20 8.404 1.786 9.581
139 H TYR 21 H TYR 21 5.768 -0.876 2.222
140 HA TYR 21 HA TYR 21 7.877 -2.112 3.636
141 1HB TYR 21 HB1 TYR 21 5.778 -3.065 2.205
142 2HB TYR 21 HB2 TYR 21 7.012 -3.224 0.939
143 HD1 TYR 21 HD1 TYR 21 6.545 -3.864 4.617
144 HD2 TYR 21 HD2 TYR 21 7.898 -5.363 0.799
145 HE1 TYR 21 HE1 TYR 21 7.067 -6.005 5.662
146 HE2 TYR 21 HE2 TYR 21 8.376 -7.542 1.837
147 HH TYR 21 HH TYR 21 8.369 -8.152 5.284
148 H SER 22 H SER 22 7.789 -0.859 0.278
149 HA SER 22 HA SER 22 10.258 -1.690 -0.472
150 1HB SER 22 HB1 SER 22 8.336 0.337 -1.403
151 2HB SER 22 HB2 SER 22 9.958 0.958 -1.619
152 HG SER 22 HG SER 22 8.877 -1.258 -2.867
153 H ALA 23 H ALA 23 9.362 1.325 1.021
154 HA ALA 23 HA ALA 23 12.087 2.358 1.189
155 1HB ALA 23 HB1 ALA 23 11.084 4.270 1.649
156 2HB ALA 23 HB2 ALA 23 9.555 3.432 1.429
157 3HB ALA 23 HB3 ALA 23 10.226 3.542 3.043
158 H LEU 24 H LEU 24 10.043 0.456 3.547
159 HA LEU 24 HA LEU 24 11.765 0.570 5.629
160 1HB LEU 24 HB1 LEU 24 9.246 0.075 5.469
161 2HB LEU 24 HB2 LEU 24 9.651 -1.492 4.749
162 HG LEU 24 HG LEU 24 10.882 -1.997 6.484
163 1HD1 LEU 24 HD1 LEU 24 10.626 -0.530 8.772
164 2HD1 LEU 24 HD1 LEU 24 11.858 -0.215 7.572
165 3HD1 LEU 24 HD1 LEU 24 10.396 0.759 7.606
166 1HD2 LEU 24 HD2 LEU 24 8.708 -1.620 8.343
167 2HD2 LEU 24 HD2 LEU 24 8.066 -1.639 6.711
168 3HD2 LEU 24 HD2 LEU 24 9.041 -2.984 7.281
169 H ARG 25 H ARG 25 11.509 -1.403 2.679
170 HA ARG 25 HA ARG 25 13.352 -3.430 3.620
171 1HB ARG 25 HB1 ARG 25 12.035 -4.048 1.689
172 2HB ARG 25 HB2 ARG 25 12.341 -2.550 0.846
173 1HG ARG 25 HG1 ARG 25 14.431 -2.957 0.180
174 2HG ARG 25 HG2 ARG 25 14.809 -4.173 1.429
175 1HD ARG 25 HD1 ARG 25 13.826 -5.873 0.414
176 2HD ARG 25 HD2 ARG 25 12.731 -4.865 -0.574
177 HE ARG 25 HE ARG 25 15.125 -4.097 -1.546
178 1HH1 ARG 25 HH1 ARG 25 15.699 -6.569 -3.949
179 2HH1 ARG 25 HH1 ARG 25 16.182 -5.040 -3.365
180 1HH2 ARG 25 HH2 ARG 25 13.832 -7.708 -2.877
181 2HH2 ARG 25 HH2 ARG 25 13.153 -6.983 -1.485
182 H HIS 26 H HIS 26 13.725 -0.438 1.618
183 HA HIS 26 HA HIS 26 16.481 -0.855 1.167
184 1HB HIS 26 HB1 HIS 26 14.997 1.051 0.283
185 2HB HIS 26 HB2 HIS 26 15.207 1.799 1.852
186 HD1 HIS 26 HD1 HIS 26 18.044 0.174 -0.260
187 HD2 HIS 26 HD2 HIS 26 16.646 3.812 1.324
188 HE1 HIS 26 HE1 HIS 26 19.686 1.942 -1.009
189 H TYR 27 H TYR 27 14.860 0.679 3.916
190 HA TYR 27 HA TYR 27 17.207 1.315 5.457
191 1HB TYR 27 HB1 TYR 27 14.291 1.268 5.918
192 2HB TYR 27 HB2 TYR 27 15.382 0.996 7.327
193 HD1 TYR 27 HD1 TYR 27 16.897 2.458 8.180
194 HD2 TYR 27 HD2 TYR 27 14.483 3.401 4.769
195 HE1 TYR 27 HE1 TYR 27 16.878 4.825 8.838
196 HE2 TYR 27 HE2 TYR 27 14.953 5.812 5.078
197 HH TYR 27 HH TYR 27 16.297 7.404 6.455
198 H ILE 28 H ILE 28 14.679 -1.178 6.261
199 HA ILE 28 HA ILE 28 16.215 -2.513 8.017
200 HB ILE 28 HB ILE 28 14.146 -3.640 6.191
201 1HG1 ILE 28 1HG1 ILE 28 14.135 -2.630 9.056
202 2HG1 ILE 28 2HG1 ILE 28 13.366 -1.856 7.673
203 1HG2 ILE 28 1HG2 ILE 28 15.009 -4.918 8.847
204 2HG2 ILE 28 2HG2 ILE 28 13.931 -5.582 7.615
205 3HG2 ILE 28 3HG2 ILE 28 15.650 -5.551 7.349
206 1HD1 ILE 28 1HD1 ILE 28 11.966 -3.921 7.393
207 2HD1 ILE 28 2HD1 ILE 28 12.547 -4.475 8.982
208 3HD1 ILE 28 3HD1 ILE 28 11.634 -2.967 8.859
209 H ASN 29 H ASN 29 16.669 -2.684 4.546
210 HA ASN 29 HA ASN 29 18.373 -5.054 4.298
211 1HB ASN 29 HB1 ASN 29 17.196 -4.163 2.366
212 2HB ASN 29 HB2 ASN 29 17.830 -2.573 2.667
213 1HD2 ASN 29 HD2 ASN 29 18.797 -2.307 0.626
214 2HD2 ASN 29 HD2 ASN 29 20.261 -3.275 0.261
215 H LEU 30 H LEU 30 18.925 -1.554 4.490
216 HA LEU 30 HA LEU 30 21.838 -1.991 4.520
217 1HB LEU 30 HB1 LEU 30 22.200 0.367 4.616
218 2HB LEU 30 HB2 LEU 30 21.021 -0.129 3.363
219 HG LEU 30 HG LEU 30 19.252 0.518 4.880
220 1HD1 LEU 30 HD1 LEU 30 19.512 1.212 6.986
221 2HD1 LEU 30 HD1 LEU 30 21.287 1.089 6.863
222 3HD1 LEU 30 HD1 LEU 30 20.497 2.558 6.412
223 1HD2 LEU 30 HD2 LEU 30 20.230 1.904 2.960
224 2HD2 LEU 30 HD2 LEU 30 19.137 2.666 4.117
225 3HD2 LEU 30 HD2 LEU 30 20.898 2.946 4.232
226 H ILE 31 H ILE 31 19.425 -0.944 6.836
227 HA ILE 31 HA ILE 31 21.038 -0.506 9.051
228 HB ILE 31 HB ILE 31 18.300 -0.625 8.499
229 1HG1 ILE 31 1HG1 ILE 31 19.630 0.812 10.160
230 2HG1 ILE 31 2HG1 ILE 31 17.893 0.547 10.256
231 1HG2 ILE 31 1HG2 ILE 31 17.153 -2.082 10.077
232 2HG2 ILE 31 2HG2 ILE 31 18.094 -2.980 8.908
233 3HG2 ILE 31 3HG2 ILE 31 18.668 -2.862 10.558
234 1HD1 ILE 31 1HD1 ILE 31 19.236 0.313 12.444
235 2HD1 ILE 31 2HD1 ILE 31 18.122 -1.017 12.066
236 3HD1 ILE 31 3HD1 ILE 31 19.866 -1.208 11.789
237 H THR 32 H THR 32 19.801 -3.603 7.773
238 HA THR 32 HA THR 32 20.851 -5.222 9.905
239 HB THR 32 HB THR 32 20.559 -6.998 8.126
240 HG1 THR 32 HG1 THR 32 20.580 -5.989 6.249
241 1HG2 THR 32 1HG2 THR 32 18.749 -6.812 9.676
242 2HG2 THR 32 2HG2 THR 32 18.307 -5.214 9.138
243 3HG2 THR 32 3HG2 THR 32 17.967 -6.618 8.106
244 H ARG 33 H ARG 33 21.996 -4.054 6.676
245 HA ARG 33 HA ARG 33 24.169 -5.633 6.239
246 1HB ARG 33 HB1 ARG 33 23.292 -3.355 5.198
247 2HB ARG 33 HB2 ARG 33 24.782 -2.714 5.872
248 1HG ARG 33 HG1 ARG 33 25.143 -5.242 4.339
249 2HG ARG 33 HG2 ARG 33 24.213 -4.025 3.407
250 1HD ARG 33 HD1 ARG 33 25.895 -2.586 3.207
251 2HD ARG 33 HD2 ARG 33 26.767 -3.110 4.661
252 HE ARG 33 HE ARG 33 26.831 -5.396 3.252
253 1HH2 ARG 33 HH2 ARG 33 29.636 -2.656 2.265
254 2HH2 ARG 33 HH2 ARG 33 28.345 -2.309 3.284
255 HH1 ARG 33 HH1 ARG 33 29.830 -5.104 1.557
256 HH1 ARG 33 HH1 ARG 33 28.657 -6.172 2.210
257 H GLN 34 H GLN 34 24.079 -2.871 8.350
258 HA GLN 34 HA GLN 34 26.755 -3.280 9.398
259 1HB GLN 34 HB1 GLN 34 25.843 -0.975 9.273
260 2HB GLN 34 HB2 GLN 34 24.561 -1.423 10.386
261 1HG GLN 34 HG1 GLN 34 26.397 -0.222 11.513
262 2HG GLN 34 HG2 GLN 34 26.178 -1.840 12.194
263 1HE2 GLN 34 1HE2 GLN 34 27.855 -3.576 11.663
264 2HE2 GLN 34 2HE2 GLN 34 29.447 -2.953 11.270
265 H ARG 35 H ARG 35 23.469 -3.318 10.847
266 HA ARG 35 HA ARG 35 24.265 -4.338 13.379
267 1HB ARG 35 HB1 ARG 35 21.663 -3.981 11.996
268 2HB ARG 35 HB2 ARG 35 21.703 -5.440 12.968
269 1HG ARG 35 HG1 ARG 35 22.622 -3.927 14.853
270 2HG ARG 35 HG2 ARG 35 22.091 -2.596 13.813
271 1HD ARG 35 HD1 ARG 35 19.906 -4.049 13.617
272 2HD ARG 35 HD2 ARG 35 20.446 -4.880 15.053
273 HE ARG 35 HE ARG 35 19.453 -2.116 14.726
274 1HH1 ARG 35 HH1 ARG 35 19.523 -1.293 18.126
275 2HH1 ARG 35 HH1 ARG 35 18.985 -0.799 16.588
276 1HH2 ARG 35 HH2 ARG 35 21.027 -3.237 18.369
277 2HH2 ARG 35 HH2 ARG 35 21.109 -4.212 16.937
278 H TYR 36 H TYR 36 22.844 -6.240 10.729
279 HA TYR 36 HA TYR 36 23.621 -8.782 11.920
280 1HB TYR 36 HB1 TYR 36 21.634 -7.803 9.917
281 2HB TYR 36 HB2 TYR 36 22.410 -9.309 9.540
282 HD1 TYR 36 HD1 TYR 36 22.572 -11.079 11.585
283 HD2 TYR 36 HD2 TYR 36 19.658 -7.925 11.191
284 HE1 TYR 36 HE1 TYR 36 21.133 -12.185 13.219
285 HE2 TYR 36 HE2 TYR 36 18.133 -9.168 12.591
286 HH TYR 36 HH TYR 36 19.052 -11.913 14.617
287 1HN NH2 37 HN1 NH2 237 25.046 -10.170 10.870
288 2HN NH2 37 HN2 NH2 237 26.235 -9.470 9.767
Start of MODEL 10
1 1H TYR 1 HN1 TYR 1 3.069 26.889 5.862
2 2H TYR 1 HN2 TYR 1 4.684 26.813 5.945
3 3H TYR 1 HN3 TYR 1 3.916 26.563 4.488
4 HA TYR 1 HA TYR 1 3.299 24.413 5.047
5 1HB TYR 1 HB1 TYR 1 5.954 25.009 6.352
6 2HB TYR 1 HB2 TYR 1 5.118 23.487 6.658
7 HD1 TYR 1 HD1 TYR 1 5.760 25.635 3.589
8 HD2 TYR 1 HD2 TYR 1 5.509 21.701 5.333
9 HE1 TYR 1 HE1 TYR 1 6.617 24.669 1.526
10 HE2 TYR 1 HE2 TYR 1 6.445 20.734 3.273
11 HH TYR 1 HH TYR 1 6.312 21.988 0.498
12 HA PRO 2 HA PRO 2 1.249 25.321 8.978
13 1HB PRO 2 HB1 PRO 2 -1.291 24.455 8.308
14 2HB PRO 2 HB2 PRO 2 -0.618 26.061 7.983
15 1HG PRO 2 HG1 PRO 2 -1.027 23.763 6.059
16 2HG PRO 2 HG2 PRO 2 -1.124 25.503 5.759
17 1HD PRO 2 HD1 PRO 2 1.093 23.787 5.287
18 2HD PRO 2 HD2 PRO 2 1.121 25.589 5.276
19 H SER 3 H SER 3 2.613 23.619 9.886
20 HA SER 3 HA SER 3 2.882 21.709 11.086
21 1HB SER 3 HB1 SER 3 0.461 22.019 11.721
22 2HB SER 3 HB2 SER 3 0.040 20.793 10.557
23 HG SER 3 HG SER 3 1.668 19.456 11.691
24 H LYS 4 H LYS 4 3.301 19.447 10.687
25 HA LYS 4 HA LYS 4 3.294 18.672 7.785
26 1HB LYS 4 HB1 LYS 4 5.423 18.238 9.909
27 2HB LYS 4 HB2 LYS 4 5.246 17.304 8.425
28 1HG LYS 4 HG1 LYS 4 5.036 19.833 7.368
29 2HG LYS 4 HG2 LYS 4 6.035 20.206 8.768
30 1HD LYS 4 HD1 LYS 4 7.847 19.049 7.878
31 2HD LYS 4 HD2 LYS 4 6.843 17.812 7.125
32 1HE LYS 4 HE1 LYS 4 6.236 19.552 5.361
33 2HE LYS 4 HE2 LYS 4 7.484 20.594 6.099
34 1HZ LYS 4 HZ1 LYS 4 8.363 19.393 4.244
35 2HZ LYS 4 HZ2 LYS 4 9.077 18.825 5.588
36 3HZ LYS 4 HZ3 LYS 4 7.874 17.941 4.852
37 HA PRO 5 HA PRO 5 0.591 15.822 10.131
38 1HB PRO 5 HB1 PRO 5 -1.251 15.499 8.051
39 2HB PRO 5 HB2 PRO 5 -1.346 16.688 9.361
40 1HG PRO 5 HG1 PRO 5 -0.710 17.180 6.512
41 2HG PRO 5 HG2 PRO 5 -1.289 18.292 7.757
42 1HD PRO 5 HD1 PRO 5 1.381 18.040 6.840
43 2HD PRO 5 HD2 PRO 5 0.776 19.035 8.195
44 H ASP 6 H ASP 6 1.259 15.732 6.618
45 HA ASP 6 HA ASP 6 2.487 14.266 5.305
46 1HB ASP 6 HB1 ASP 6 3.543 13.548 7.811
47 2HB ASP 6 HB2 ASP 6 2.905 12.033 7.176
48 H ASN 7 H ASN 7 0.684 12.410 7.652
49 HA ASN 7 HA ASN 7 -1.253 11.299 7.661
50 1HB ASN 7 HB1 ASN 7 -1.785 12.977 5.460
51 2HB ASN 7 HB2 ASN 7 -2.288 11.369 4.965
52 1HD2 ASN 7 HD2 ASN 7 -3.637 14.016 5.833
53 2HD2 ASN 7 HD2 ASN 7 -4.866 13.475 6.944
54 HA PRO 8 HA PRO 8 0.736 7.633 5.941
55 1HB PRO 8 HB1 PRO 8 -0.826 5.619 7.105
56 2HB PRO 8 HB2 PRO 8 0.532 6.501 7.853
57 1HG PRO 8 HG1 PRO 8 -2.379 6.851 8.364
58 2HG PRO 8 HG2 PRO 8 -1.009 7.153 9.450
59 1HD PRO 8 HD1 PRO 8 -2.453 9.050 7.894
60 2HD PRO 8 HD2 PRO 8 -0.950 9.382 8.828
61 H GLY 9 H GLY 9 -2.918 7.316 6.058
62 1HA GLY 9 HA1 GLY 9 -3.636 7.821 3.503
63 2HA GLY 9 HA2 GLY 9 -2.850 6.228 3.395
64 H GLU 10 H GLU 10 -5.670 6.847 3.187
65 HA GLU 10 HA GLU 10 -6.628 4.740 4.952
66 1HB GLU 10 HB1 GLU 10 -6.944 7.071 6.089
67 2HB GLU 10 HB2 GLU 10 -8.078 7.428 4.791
68 1HG GLU 10 HG1 GLU 10 -9.642 6.446 6.111
69 2HG GLU 10 HG2 GLU 10 -8.891 4.901 5.660
70 H ASP 11 H ASP 11 -6.884 3.526 3.027
71 HA ASP 11 HA ASP 11 -9.245 3.871 1.604
72 1HB ASP 11 HB1 ASP 11 -7.445 5.705 0.510
73 2HB ASP 11 HB2 ASP 11 -7.289 4.382 -0.590
74 H ALA 12 H ALA 12 -5.959 2.883 1.217
75 HA ALA 12 HA ALA 12 -6.780 0.223 0.082
76 1HB ALA 12 HB1 ALA 12 -4.643 0.104 -0.936
77 2HB ALA 12 HB2 ALA 12 -5.513 1.547 -1.481
78 3HB ALA 12 HB3 ALA 12 -4.167 1.704 -0.318
79 HA PRO 13 HA PRO 13 -5.051 -0.294 4.330
80 1HB PRO 13 HB1 PRO 13 -6.656 -2.478 5.039
81 2HB PRO 13 HB2 PRO 13 -7.068 -0.759 5.327
82 1HG PRO 13 HG1 PRO 13 -8.267 -2.582 3.341
83 2HG PRO 13 HG2 PRO 13 -8.868 -1.061 4.045
84 1HD PRO 13 HD1 PRO 13 -7.649 -1.385 1.490
85 2HD PRO 13 HD2 PRO 13 -8.122 0.140 2.333
86 H ALA 14 H ALA 14 -3.314 -1.728 4.684
87 HA ALA 14 HA ALA 14 -2.047 -3.605 4.703
88 1HB ALA 14 HB1 ALA 14 -4.197 -4.931 4.357
89 2HB ALA 14 HB2 ALA 14 -3.682 -5.103 2.671
90 3HB ALA 14 HB3 ALA 14 -2.636 -5.667 3.974
91 H GLU 15 H GLU 15 -3.405 -3.262 1.407
92 HA GLU 15 HA GLU 15 -1.165 -3.691 -0.043
93 1HB GLU 15 HB1 GLU 15 -3.477 -3.297 -0.980
94 2HB GLU 15 HB2 GLU 15 -3.194 -1.567 -0.778
95 1HG GLU 15 HG1 GLU 15 -2.682 -2.276 -3.072
96 2HG GLU 15 HG2 GLU 15 -1.215 -1.705 -2.254
97 H ASP 16 H ASP 16 -2.142 -0.603 1.516
98 HA ASP 16 HA ASP 16 -0.074 1.122 0.690
99 1HB ASP 16 HB1 ASP 16 -2.098 1.705 2.176
100 2HB ASP 16 HB2 ASP 16 -1.184 0.980 3.510
101 H LEU 17 H LEU 17 -0.019 -1.186 3.311
102 HA LEU 17 HA LEU 17 2.524 -0.549 4.424
103 1HB LEU 17 HB1 LEU 17 1.471 -3.394 4.205
104 2HB LEU 17 HB2 LEU 17 2.554 -2.722 5.405
105 HG LEU 17 HG LEU 17 -0.413 -2.216 5.085
106 1HD1 LEU 17 HD1 LEU 17 -0.680 -3.455 6.980
107 2HD1 LEU 17 HD1 LEU 17 0.705 -4.293 6.287
108 3HD1 LEU 17 HD1 LEU 17 0.953 -3.133 7.600
109 1HD2 LEU 17 HD2 LEU 17 0.111 -0.084 5.686
110 2HD2 LEU 17 HD2 LEU 17 -0.046 -0.826 7.278
111 3HD2 LEU 17 HD2 LEU 17 1.568 -0.540 6.586
112 H ALA 18 H ALA 18 1.625 -2.587 1.675
113 HA ALA 18 HA ALA 18 4.170 -3.667 1.018
114 1HB ALA 18 HB1 ALA 18 3.131 -4.601 -0.694
115 2HB ALA 18 HB2 ALA 18 1.639 -3.849 -0.137
116 3HB ALA 18 HB3 ALA 18 2.647 -3.056 -1.375
117 H ARG 19 H ARG 19 2.715 -0.515 0.279
118 HA ARG 19 HA ARG 19 4.763 0.420 -1.558
119 1HB ARG 19 HB1 ARG 19 2.236 1.341 -0.832
120 2HB ARG 19 HB2 ARG 19 3.273 2.409 0.088
121 1HG ARG 19 HG1 ARG 19 3.016 3.449 -1.959
122 2HG ARG 19 HG2 ARG 19 4.622 2.728 -2.047
123 1HD ARG 19 HD1 ARG 19 3.763 1.993 -4.133
124 2HD ARG 19 HD2 ARG 19 3.056 0.703 -3.114
125 HE ARG 19 HE ARG 19 0.989 1.529 -3.487
126 1HH1 ARG 19 HH1 ARG 19 0.082 4.433 -5.340
127 2HH1 ARG 19 HH1 ARG 19 -0.498 3.004 -4.553
128 1HH2 ARG 19 HH2 ARG 19 2.464 5.064 -5.050
129 2HH2 ARG 19 HH2 ARG 19 3.393 3.962 -4.097
130 H TYR 20 H TYR 20 3.986 1.030 1.832
131 HA TYR 20 HA TYR 20 6.422 2.474 2.487
132 1HB TYR 20 HB1 TYR 20 4.643 2.836 3.961
133 2HB TYR 20 HB2 TYR 20 4.277 1.116 4.086
134 HD1 TYR 20 HD1 TYR 20 4.509 0.306 6.159
135 HD2 TYR 20 HD2 TYR 20 7.406 3.155 4.733
136 HE1 TYR 20 HE1 TYR 20 5.747 0.055 8.225
137 HE2 TYR 20 HE2 TYR 20 8.647 2.932 6.831
138 HH TYR 20 HH TYR 20 8.416 2.266 9.174
139 H TYR 21 H TYR 21 5.708 -0.880 2.154
140 HA TYR 21 HA TYR 21 7.804 -1.917 3.622
141 1HB TYR 21 HB1 TYR 21 5.818 -2.967 2.006
142 2HB TYR 21 HB2 TYR 21 7.261 -3.439 1.141
143 HD1 TYR 21 HD1 TYR 21 6.112 -3.125 4.748
144 HD2 TYR 21 HD2 TYR 21 7.389 -5.702 1.549
145 HE1 TYR 21 HE1 TYR 21 6.121 -5.033 6.299
146 HE2 TYR 21 HE2 TYR 21 7.351 -7.624 3.074
147 HH TYR 21 HH TYR 21 6.864 -7.210 6.604
148 H SER 22 H SER 22 7.753 -0.879 0.210
149 HA SER 22 HA SER 22 10.221 -1.808 -0.406
150 1HB SER 22 HB1 SER 22 8.322 -0.393 -1.825
151 2HB SER 22 HB2 SER 22 9.509 0.893 -1.604
152 HG SER 22 HG SER 22 10.672 -1.445 -2.362
153 H ALA 23 H ALA 23 9.269 1.313 0.923
154 HA ALA 23 HA ALA 23 11.946 2.380 1.067
155 1HB ALA 23 HB1 ALA 23 11.153 4.243 2.017
156 2HB ALA 23 HB2 ALA 23 9.783 3.743 1.015
157 3HB ALA 23 HB3 ALA 23 9.721 3.498 2.772
158 H LEU 24 H LEU 24 9.853 0.736 3.558
159 HA LEU 24 HA LEU 24 11.591 0.797 5.660
160 1HB LEU 24 HB1 LEU 24 9.037 0.347 5.355
161 2HB LEU 24 HB2 LEU 24 9.520 -1.252 4.798
162 HG LEU 24 HG LEU 24 10.627 -1.668 6.629
163 1HD1 LEU 24 HD1 LEU 24 11.512 0.107 7.829
164 2HD1 LEU 24 HD1 LEU 24 10.091 1.148 7.550
165 3HD1 LEU 24 HD1 LEU 24 10.067 -0.046 8.853
166 1HD2 LEU 24 HD2 LEU 24 8.825 -2.537 7.615
167 2HD2 LEU 24 HD2 LEU 24 8.232 -1.011 8.234
168 3HD2 LEU 24 HD2 LEU 24 7.842 -1.488 6.611
169 H ARG 25 H ARG 25 11.419 -1.301 2.776
170 HA ARG 25 HA ARG 25 13.155 -3.265 3.944
171 1HB ARG 25 HB1 ARG 25 11.881 -4.002 2.002
172 2HB ARG 25 HB2 ARG 25 12.219 -2.553 1.097
173 1HG ARG 25 HG1 ARG 25 14.353 -3.042 0.503
174 2HG ARG 25 HG2 ARG 25 14.565 -4.320 1.722
175 1HD ARG 25 HD1 ARG 25 13.300 -5.851 0.590
176 2HD ARG 25 HD2 ARG 25 12.533 -4.686 -0.494
177 HE ARG 25 HE ARG 25 15.195 -5.931 -0.690
178 1HH1 ARG 25 HH1 ARG 25 16.036 -4.199 -3.673
179 2HH1 ARG 25 HH1 ARG 25 16.475 -5.492 -2.609
180 1HH2 ARG 25 HH2 ARG 25 14.173 -2.755 -3.062
181 2HH2 ARG 25 HH2 ARG 25 13.300 -3.167 -1.640
182 H HIS 26 H HIS 26 13.657 -0.560 1.730
183 HA HIS 26 HA HIS 26 16.375 -0.992 1.252
184 1HB HIS 26 HB1 HIS 26 14.789 0.755 0.312
185 2HB HIS 26 HB2 HIS 26 15.052 1.672 1.825
186 HD1 HIS 26 HD1 HIS 26 17.653 -0.121 -0.396
187 HD2 HIS 26 HD2 HIS 26 16.665 3.571 1.270
188 HE1 HIS 26 HE1 HIS 26 19.557 1.391 -1.080
189 H TYR 27 H TYR 27 14.853 0.605 3.996
190 HA TYR 27 HA TYR 27 17.213 1.184 5.521
191 1HB TYR 27 HB1 TYR 27 14.306 1.013 6.029
192 2HB TYR 27 HB2 TYR 27 15.444 0.743 7.387
193 HD1 TYR 27 HD1 TYR 27 16.799 2.391 8.333
194 HD2 TYR 27 HD2 TYR 27 14.440 3.232 4.843
195 HE1 TYR 27 HE1 TYR 27 17.117 4.815 8.710
196 HE2 TYR 27 HE2 TYR 27 14.802 5.678 5.198
197 HH TYR 27 HH TYR 27 15.281 7.152 6.698
198 H ILE 28 H ILE 28 14.759 -1.408 6.207
199 HA ILE 28 HA ILE 28 16.359 -2.733 7.876
200 HB ILE 28 HB ILE 28 14.152 -3.605 6.113
201 1HG1 ILE 28 1HG1 ILE 28 12.995 -3.796 8.208
202 2HG1 ILE 28 2HG1 ILE 28 14.494 -3.832 9.139
203 1HG2 ILE 28 1HG2 ILE 28 15.783 -5.485 7.853
204 2HG2 ILE 28 2HG2 ILE 28 14.164 -5.850 7.229
205 3HG2 ILE 28 3HG2 ILE 28 15.512 -5.621 6.106
206 1HD1 ILE 28 1HD1 ILE 28 13.201 -1.767 9.425
207 2HD1 ILE 28 2HD1 ILE 28 14.794 -1.401 8.746
208 3HD1 ILE 28 3HD1 ILE 28 13.352 -1.401 7.720
209 H ASN 29 H ASN 29 16.774 -2.866 4.494
210 HA ASN 29 HA ASN 29 18.665 -5.070 4.168
211 1HB ASN 29 HB1 ASN 29 17.510 -4.197 2.278
212 2HB ASN 29 HB2 ASN 29 17.930 -2.560 2.675
213 1HD2 ASN 29 HD2 ASN 29 19.700 -1.615 1.730
214 2HD2 ASN 29 HD2 ASN 29 20.968 -2.560 0.931
215 H LEU 30 H LEU 30 19.082 -1.564 4.487
216 HA LEU 30 HA LEU 30 21.984 -1.934 4.662
217 1HB LEU 30 HB1 LEU 30 22.251 0.446 4.816
218 2HB LEU 30 HB2 LEU 30 21.191 -0.069 3.454
219 HG LEU 30 HG LEU 30 19.278 0.506 4.828
220 1HD1 LEU 30 HD1 LEU 30 20.289 2.566 6.535
221 2HD1 LEU 30 HD1 LEU 30 19.407 1.130 6.993
222 3HD1 LEU 30 HD1 LEU 30 21.176 1.127 6.963
223 1HD2 LEU 30 HD2 LEU 30 19.679 2.928 4.476
224 2HD2 LEU 30 HD2 LEU 30 21.313 2.485 3.882
225 3HD2 LEU 30 HD2 LEU 30 19.848 1.865 3.078
226 H ILE 31 H ILE 31 19.432 -1.021 6.837
227 HA ILE 31 HA ILE 31 20.868 -0.433 9.134
228 HB ILE 31 HB ILE 31 18.189 -0.737 8.420
229 1HG1 ILE 31 1HG1 ILE 31 19.308 0.809 10.186
230 2HG1 ILE 31 2HG1 ILE 31 17.584 0.466 10.111
231 1HG2 ILE 31 1HG2 ILE 31 17.089 -2.209 10.018
232 2HG2 ILE 31 2HG2 ILE 31 18.129 -3.081 8.919
233 3HG2 ILE 31 3HG2 ILE 31 18.653 -2.856 10.569
234 1HD1 ILE 31 1HD1 ILE 31 18.733 0.285 12.437
235 2HD1 ILE 31 2HD1 ILE 31 17.704 -1.064 11.957
236 3HD1 ILE 31 3HD1 ILE 31 19.490 -1.170 11.828
237 H THR 32 H THR 32 19.816 -3.594 7.777
238 HA THR 32 HA THR 32 20.965 -5.153 9.869
239 HB THR 32 HB THR 32 20.882 -6.989 8.312
240 HG1 THR 32 HG1 THR 32 21.028 -5.669 6.315
241 1HG2 THR 32 1HG2 THR 32 18.192 -6.639 8.027
242 2HG2 THR 32 2HG2 THR 32 18.974 -6.961 9.600
243 3HG2 THR 32 3HG2 THR 32 18.535 -5.317 9.144
244 H ARG 33 H ARG 33 22.208 -3.891 6.737
245 HA ARG 33 HA ARG 33 24.483 -5.327 6.449
246 1HB ARG 33 HB1 ARG 33 23.544 -3.022 5.417
247 2HB ARG 33 HB2 ARG 33 25.027 -2.420 6.117
248 1HG ARG 33 HG1 ARG 33 25.531 -4.853 4.616
249 2HG ARG 33 HG2 ARG 33 24.405 -3.854 3.695
250 1HD ARG 33 HD1 ARG 33 26.040 -1.976 3.680
251 2HD ARG 33 HD2 ARG 33 26.999 -2.806 4.895
252 HE ARG 33 HE ARG 33 27.958 -4.190 3.468
253 1HH1 ARG 33 HH1 ARG 33 27.514 -4.739 -0.004
254 2HH1 ARG 33 HH1 ARG 33 28.483 -5.085 1.386
255 1HH2 ARG 33 HH2 ARG 33 25.555 -3.301 0.278
256 2HH2 ARG 33 HH2 ARG 33 25.230 -2.723 1.888
257 H GLN 34 H GLN 34 24.192 -2.527 8.572
258 HA GLN 34 HA GLN 34 26.834 -2.935 9.730
259 1HB GLN 34 HB1 GLN 34 26.091 -0.637 9.300
260 2HB GLN 34 HB2 GLN 34 24.696 -0.900 10.355
261 1HG GLN 34 HG1 GLN 34 26.201 0.202 11.777
262 2HG GLN 34 HG2 GLN 34 26.473 -1.473 12.226
263 1HE2 GLN 34 1HE2 GLN 34 28.701 -1.927 12.461
264 2HE2 GLN 34 2HE2 GLN 34 29.933 -1.084 11.545
265 H ARG 35 H ARG 35 23.382 -2.874 10.830
266 HA ARG 35 HA ARG 35 23.897 -3.506 13.512
267 1HB ARG 35 HB1 ARG 35 21.756 -2.640 12.669
268 2HB ARG 35 HB2 ARG 35 21.390 -4.201 11.903
269 1HG ARG 35 HG1 ARG 35 21.279 -5.326 13.983
270 2HG ARG 35 HG2 ARG 35 21.947 -3.927 14.860
271 1HD ARG 35 HD1 ARG 35 19.936 -2.596 14.143
272 2HD ARG 35 HD2 ARG 35 19.281 -4.073 13.376
273 HE ARG 35 HE ARG 35 20.089 -4.356 16.176
274 1HH1 ARG 35 HH1 ARG 35 16.823 -4.331 17.496
275 2HH1 ARG 35 HH1 ARG 35 18.491 -4.655 17.800
276 1HH2 ARG 35 HH2 ARG 35 16.191 -3.497 15.254
277 2HH2 ARG 35 HH2 ARG 35 17.480 -3.238 14.132
278 H TYR 36 H TYR 36 22.915 -5.687 10.911
279 HA TYR 36 HA TYR 36 23.543 -8.144 12.451
280 1HB TYR 36 HB1 TYR 36 21.502 -7.374 10.455
281 2HB TYR 36 HB2 TYR 36 22.385 -8.807 9.977
282 HD1 TYR 36 HD1 TYR 36 21.291 -10.785 10.576
283 HD2 TYR 36 HD2 TYR 36 21.043 -7.379 13.205
284 HE1 TYR 36 HE1 TYR 36 19.898 -12.081 12.121
285 HE2 TYR 36 HE2 TYR 36 19.645 -8.673 14.761
286 HH TYR 36 HH TYR 36 19.419 -11.474 15.213
287 1HN NH2 37 HN1 NH2 237 24.454 -9.898 10.930
288 2HN NH2 37 HN2 NH2 237 25.784 -9.350 9.910
Start of MODEL 11
1 1H TYR 1 HN1 TYR 1 -14.647 -24.342 4.550
2 2H TYR 1 HN2 TYR 1 -13.767 -25.717 4.423
3 3H TYR 1 HN3 TYR 1 -14.192 -25.132 5.938
4 HA TYR 1 HA TYR 1 -12.829 -23.208 4.383
5 1HB TYR 1 HB1 TYR 1 -12.759 -24.183 7.176
6 2HB TYR 1 HB2 TYR 1 -11.153 -24.110 6.454
7 HD1 TYR 1 HD1 TYR 1 -14.010 -22.239 7.517
8 HD2 TYR 1 HD2 TYR 1 -9.993 -22.128 6.023
9 HE1 TYR 1 HE1 TYR 1 -13.869 -19.898 8.139
10 HE2 TYR 1 HE2 TYR 1 -9.787 -19.824 6.666
11 HH TYR 1 HH TYR 1 -10.880 -17.978 7.439
12 HA PRO 2 HA PRO 2 -9.226 -26.492 3.915
13 1HB PRO 2 HB1 PRO 2 -9.720 -29.051 4.616
14 2HB PRO 2 HB2 PRO 2 -8.942 -27.835 5.646
15 1HG PRO 2 HG1 PRO 2 -11.599 -29.039 5.878
16 2HG PRO 2 HG2 PRO 2 -10.668 -28.180 7.113
17 1HD PRO 2 HD1 PRO 2 -12.831 -27.271 5.530
18 2HD PRO 2 HD2 PRO 2 -11.834 -26.335 6.714
19 H SER 3 H SER 3 -10.641 -25.638 1.925
20 HA SER 3 HA SER 3 -10.872 -27.879 0.100
21 1HB SER 3 HB1 SER 3 -13.112 -27.054 -0.597
22 2HB SER 3 HB2 SER 3 -13.093 -28.129 0.806
23 HG SER 3 HG SER 3 -14.068 -25.586 0.696
24 H LYS 4 H LYS 4 -12.350 -24.712 0.117
25 HA LYS 4 HA LYS 4 -11.376 -24.056 -2.457
26 1HB LYS 4 HB1 LYS 4 -12.271 -21.727 -1.979
27 2HB LYS 4 HB2 LYS 4 -13.377 -22.976 -1.451
28 1HG LYS 4 HG1 LYS 4 -13.410 -21.702 0.409
29 2HG LYS 4 HG2 LYS 4 -12.062 -22.739 0.852
30 1HD LYS 4 HD1 LYS 4 -10.874 -20.563 -0.622
31 2HD LYS 4 HD2 LYS 4 -12.202 -19.858 0.257
32 1HE LYS 4 HE1 LYS 4 -10.868 -21.518 2.187
33 2HE LYS 4 HE2 LYS 4 -9.555 -20.941 1.180
34 1HZ LYS 4 HZ1 LYS 4 -10.012 -18.774 1.729
35 2HZ LYS 4 HZ2 LYS 4 -11.544 -19.134 2.269
36 3HZ LYS 4 HZ3 LYS 4 -10.204 -19.607 3.136
37 HA PRO 5 HA PRO 5 -7.260 -22.786 -1.726
38 1HB PRO 5 HB1 PRO 5 -6.897 -20.839 -3.676
39 2HB PRO 5 HB2 PRO 5 -7.001 -22.604 -3.951
40 1HG PRO 5 HG1 PRO 5 -9.007 -20.566 -4.688
41 2HG PRO 5 HG2 PRO 5 -8.635 -22.247 -5.216
42 1HD PRO 5 HD1 PRO 5 -10.662 -21.356 -3.384
43 2HD PRO 5 HD2 PRO 5 -10.329 -22.998 -3.989
44 H ASP 6 H ASP 6 -8.866 -19.703 -2.669
45 HA ASP 6 HA ASP 6 -8.791 -18.537 -0.017
46 1HB ASP 6 HB1 ASP 6 -6.236 -18.638 -0.849
47 2HB ASP 6 HB2 ASP 6 -6.769 -17.211 -1.842
48 H ASN 7 H ASN 7 -8.398 -17.857 -3.418
49 HA ASN 7 HA ASN 7 -9.635 -16.624 -4.951
50 1HB ASN 7 HB1 ASN 7 -11.580 -17.826 -3.363
51 2HB ASN 7 HB2 ASN 7 -12.035 -16.102 -3.274
52 1HD2 ASN 7 HD2 ASN 7 -11.942 -18.851 -5.237
53 2HD2 ASN 7 HD2 ASN 7 -12.343 -17.999 -6.740
54 HA PRO 8 HA PRO 8 -8.384 -12.862 -2.534
55 1HB PRO 8 HB1 PRO 8 -6.751 -11.737 -4.522
56 2HB PRO 8 HB2 PRO 8 -6.237 -12.876 -3.250
57 1HG PRO 8 HG1 PRO 8 -6.898 -13.346 -6.157
58 2HG PRO 8 HG2 PRO 8 -5.708 -14.180 -5.094
59 1HD PRO 8 HD1 PRO 8 -8.281 -14.981 -5.937
60 2HD PRO 8 HD2 PRO 8 -7.310 -15.798 -4.664
61 H GLY 9 H GLY 9 -10.844 -12.864 -3.238
62 1HA GLY 9 HA1 GLY 9 -11.684 -11.235 -5.481
63 2HA GLY 9 HA2 GLY 9 -12.603 -11.899 -4.107
64 H GLU 10 H GLU 10 -9.830 -9.630 -4.508
65 HA GLU 10 HA GLU 10 -11.345 -7.512 -3.078
66 1HB GLU 10 HB1 GLU 10 -9.529 -9.044 -1.685
67 2HB GLU 10 HB2 GLU 10 -8.404 -7.917 -2.385
68 1HG GLU 10 HG1 GLU 10 -9.096 -6.327 -0.815
69 2HG GLU 10 HG2 GLU 10 -10.751 -6.429 -1.387
70 H ASP 11 H ASP 11 -9.066 -5.917 -3.072
71 HA ASP 11 HA ASP 11 -8.290 -5.480 -5.922
72 1HB ASP 11 HB1 ASP 11 -9.723 -3.521 -4.073
73 2HB ASP 11 HB2 ASP 11 -8.915 -3.064 -5.572
74 H ALA 12 H ALA 12 -6.599 -6.571 -4.097
75 HA ALA 12 HA ALA 12 -4.578 -6.257 -3.069
76 1HB ALA 12 HB1 ALA 12 -4.297 -5.211 -5.381
77 2HB ALA 12 HB2 ALA 12 -4.290 -3.656 -4.527
78 3HB ALA 12 HB3 ALA 12 -3.065 -4.913 -4.169
79 HA PRO 13 HA PRO 13 -6.518 -3.199 -0.141
80 1HB PRO 13 HB1 PRO 13 -6.415 -4.864 2.111
81 2HB PRO 13 HB2 PRO 13 -7.760 -4.628 0.933
82 1HG PRO 13 HG1 PRO 13 -5.915 -6.979 1.260
83 2HG PRO 13 HG2 PRO 13 -7.543 -6.904 0.568
84 1HD PRO 13 HD1 PRO 13 -5.045 -6.888 -0.833
85 2HD PRO 13 HD2 PRO 13 -6.673 -6.659 -1.536
86 H ALA 14 H ALA 14 -5.224 -1.842 1.068
87 HA ALA 14 HA ALA 14 -3.389 -1.078 2.252
88 1HB ALA 14 HB1 ALA 14 -2.442 -2.339 3.708
89 2HB ALA 14 HB2 ALA 14 -3.275 -3.771 3.090
90 3HB ALA 14 HB3 ALA 14 -1.686 -3.412 2.504
91 H GLU 15 H GLU 15 -3.527 -1.839 -0.768
92 HA GLU 15 HA GLU 15 -1.114 -2.335 -1.761
93 1HB GLU 15 HB1 GLU 15 -3.484 -1.386 -2.766
94 2HB GLU 15 HB2 GLU 15 -2.519 0.000 -3.057
95 1HG GLU 15 HG1 GLU 15 -0.870 -2.050 -3.960
96 2HG GLU 15 HG2 GLU 15 -2.472 -2.577 -4.446
97 H ASP 16 H ASP 16 -2.141 0.701 -0.349
98 HA ASP 16 HA ASP 16 0.181 2.242 -1.000
99 1HB ASP 16 HB1 ASP 16 -2.382 2.838 0.180
100 2HB ASP 16 HB2 ASP 16 -1.234 3.112 1.495
101 H LEU 17 H LEU 17 -0.850 0.437 1.820
102 HA LEU 17 HA LEU 17 1.375 1.034 3.528
103 1HB LEU 17 HB1 LEU 17 0.116 -0.122 4.931
104 2HB LEU 17 HB2 LEU 17 -0.956 -0.604 3.641
105 HG LEU 17 HG LEU 17 0.415 -2.576 3.200
106 1HD1 LEU 17 HD1 LEU 17 2.595 -2.605 3.912
107 2HD1 LEU 17 HD1 LEU 17 2.301 -1.260 5.041
108 3HD1 LEU 17 HD1 LEU 17 2.043 -2.927 5.542
109 1HD2 LEU 17 HD2 LEU 17 -0.883 -3.683 4.644
110 2HD2 LEU 17 HD2 LEU 17 0.045 -3.189 6.043
111 3HD2 LEU 17 HD2 LEU 17 -1.235 -2.136 5.472
112 H ALA 18 H ALA 18 0.832 -1.381 0.954
113 HA ALA 18 HA ALA 18 3.336 -2.728 1.278
114 1HB ALA 18 HB1 ALA 18 2.903 -3.718 -0.838
115 2HB ALA 18 HB2 ALA 18 1.384 -3.514 0.041
116 3HB ALA 18 HB3 ALA 18 1.773 -2.424 -1.301
117 H ARG 19 H ARG 19 2.617 0.394 0.037
118 HA ARG 19 HA ARG 19 4.915 0.680 -1.696
119 1HB ARG 19 HB1 ARG 19 2.508 2.096 -1.379
120 2HB ARG 19 HB2 ARG 19 3.623 3.097 -0.457
121 1HG ARG 19 HG1 ARG 19 3.602 3.869 -2.697
122 2HG ARG 19 HG2 ARG 19 5.139 2.994 -2.464
123 1HD ARG 19 HD1 ARG 19 3.441 0.943 -3.317
124 2HD ARG 19 HD2 ARG 19 2.686 2.328 -4.101
125 HE ARG 19 HE ARG 19 5.488 2.473 -4.532
126 1HH1 ARG 19 HH1 ARG 19 5.821 0.339 -7.296
127 2HH1 ARG 19 HH1 ARG 19 6.555 1.560 -6.324
128 1HH2 ARG 19 HH2 ARG 19 3.553 -0.414 -6.723
129 2HH2 ARG 19 HH2 ARG 19 2.860 0.245 -5.294
130 H TYR 20 H TYR 20 4.039 1.500 1.621
131 HA TYR 20 HA TYR 20 6.512 2.882 2.279
132 1HB TYR 20 HB1 TYR 20 4.655 1.451 4.180
133 2HB TYR 20 HB2 TYR 20 5.707 2.828 4.523
134 HD1 TYR 20 HD1 TYR 20 2.774 2.653 5.173
135 HD2 TYR 20 HD2 TYR 20 4.782 4.246 1.680
136 HE1 TYR 20 HE1 TYR 20 0.971 4.264 4.825
137 HE2 TYR 20 HE2 TYR 20 2.870 5.651 1.224
138 HH TYR 20 HH TYR 20 0.007 5.899 3.312
139 H TYR 21 H TYR 21 5.649 -0.406 1.977
140 HA TYR 21 HA TYR 21 7.574 -1.589 3.727
141 1HB TYR 21 HB1 TYR 21 5.433 -2.401 2.143
142 2HB TYR 21 HB2 TYR 21 6.778 -2.936 1.116
143 HD1 TYR 21 HD1 TYR 21 8.713 -4.195 2.613
144 HD2 TYR 21 HD2 TYR 21 4.459 -4.076 3.351
145 HE1 TYR 21 HE1 TYR 21 8.892 -6.196 3.962
146 HE2 TYR 21 HE2 TYR 21 4.642 -6.076 4.726
147 HH TYR 21 HH TYR 21 6.660 -7.250 6.188
148 H SER 22 H SER 22 7.683 -0.663 0.210
149 HA SER 22 HA SER 22 10.092 -1.798 -0.280
150 1HB SER 22 HB1 SER 22 8.442 0.252 -1.613
151 2HB SER 22 HB2 SER 22 10.180 0.511 -1.857
152 HG SER 22 HG SER 22 9.736 -0.871 -3.307
153 H ALA 23 H ALA 23 9.388 1.344 1.065
154 HA ALA 23 HA ALA 23 12.171 2.206 1.168
155 1HB ALA 23 HB1 ALA 23 10.710 3.626 3.162
156 2HB ALA 23 HB2 ALA 23 11.051 4.159 1.507
157 3HB ALA 23 HB3 ALA 23 9.533 3.338 1.878
158 H LEU 24 H LEU 24 9.891 0.520 3.313
159 HA LEU 24 HA LEU 24 11.763 0.591 5.490
160 1HB LEU 24 HB1 LEU 24 9.172 -0.741 4.860
161 2HB LEU 24 HB2 LEU 24 10.411 -1.718 5.733
162 HG LEU 24 HG LEU 24 9.127 0.779 6.718
163 1HD1 LEU 24 HD1 LEU 24 9.225 -2.001 7.995
164 2HD1 LEU 24 HD1 LEU 24 8.119 -0.630 8.305
165 3HD1 LEU 24 HD1 LEU 24 7.992 -1.547 6.810
166 1HD2 LEU 24 HD2 LEU 24 10.578 -0.102 8.777
167 2HD2 LEU 24 HD2 LEU 24 11.577 -0.839 7.496
168 3HD2 LEU 24 HD2 LEU 24 11.324 0.930 7.528
169 H ARG 25 H ARG 25 11.403 -1.549 2.684
170 HA ARG 25 HA ARG 25 13.106 -3.596 3.579
171 1HB ARG 25 HB1 ARG 25 11.974 -4.170 1.681
172 2HB ARG 25 HB2 ARG 25 12.203 -2.627 0.847
173 1HG ARG 25 HG1 ARG 25 14.336 -3.018 0.123
174 2HG ARG 25 HG2 ARG 25 14.636 -4.306 1.335
175 1HD ARG 25 HD1 ARG 25 13.257 -5.828 0.228
176 2HD ARG 25 HD2 ARG 25 12.743 -4.581 -0.949
177 HE ARG 25 HE ARG 25 15.644 -5.005 -0.743
178 1HH1 ARG 25 HH1 ARG 25 15.854 -6.831 -3.795
179 2HH1 ARG 25 HH1 ARG 25 16.711 -5.962 -2.587
180 1HH2 ARG 25 HH2 ARG 25 13.407 -7.019 -3.481
181 2HH2 ARG 25 HH2 ARG 25 12.691 -6.223 -2.113
182 H HIS 26 H HIS 26 13.798 -0.661 1.637
183 HA HIS 26 HA HIS 26 16.530 -1.080 1.201
184 1HB HIS 26 HB1 HIS 26 15.013 0.806 0.254
185 2HB HIS 26 HB2 HIS 26 15.328 1.579 1.822
186 HD1 HIS 26 HD1 HIS 26 17.968 -0.205 -0.305
187 HD2 HIS 26 HD2 HIS 26 16.870 3.611 1.077
188 HE1 HIS 26 HE1 HIS 26 19.878 1.361 -0.924
189 H TYR 27 H TYR 27 14.855 0.572 3.845
190 HA TYR 27 HA TYR 27 17.089 1.260 5.508
191 1HB TYR 27 HB1 TYR 27 14.189 0.989 5.845
192 2HB TYR 27 HB2 TYR 27 15.165 0.659 7.320
193 HD1 TYR 27 HD1 TYR 27 16.810 2.220 8.231
194 HD2 TYR 27 HD2 TYR 27 14.040 3.243 5.084
195 HE1 TYR 27 HE1 TYR 27 17.098 4.592 8.783
196 HE2 TYR 27 HE2 TYR 27 14.337 5.601 5.582
197 HH TYR 27 HH TYR 27 16.751 6.911 7.281
198 H ILE 28 H ILE 28 14.805 -1.422 6.068
199 HA ILE 28 HA ILE 28 16.319 -2.735 7.933
200 HB ILE 28 HB ILE 28 14.463 -3.903 5.916
201 1HG1 ILE 28 1HG1 ILE 28 14.068 -3.381 8.903
202 2HG1 ILE 28 2HG1 ILE 28 13.686 -2.135 7.733
203 1HG2 ILE 28 1HG2 ILE 28 15.782 -5.791 6.720
204 2HG2 ILE 28 2HG2 ILE 28 15.760 -5.196 8.388
205 3HG2 ILE 28 3HG2 ILE 28 14.306 -5.849 7.651
206 1HD1 ILE 28 1HD1 ILE 28 11.880 -3.173 6.863
207 2HD1 ILE 28 2HD1 ILE 28 12.456 -4.809 7.165
208 3HD1 ILE 28 3HD1 ILE 28 11.818 -3.832 8.513
209 H ASN 29 H ASN 29 16.901 -2.561 4.499
210 HA ASN 29 HA ASN 29 18.519 -4.936 4.219
211 1HB ASN 29 HB1 ASN 29 17.460 -2.764 2.499
212 2HB ASN 29 HB2 ASN 29 19.202 -2.888 2.287
213 1HD2 ASN 29 HD2 ASN 29 16.355 -4.673 2.571
214 2HD2 ASN 29 HD2 ASN 29 16.624 -5.990 1.456
215 H LEU 30 H LEU 30 19.085 -1.418 4.502
216 HA LEU 30 HA LEU 30 21.962 -1.719 4.701
217 1HB LEU 30 HB1 LEU 30 22.149 0.683 4.940
218 2HB LEU 30 HB2 LEU 30 21.110 0.175 3.577
219 HG LEU 30 HG LEU 30 19.204 0.616 4.996
220 1HD1 LEU 30 HD1 LEU 30 20.217 2.655 6.807
221 2HD1 LEU 30 HD1 LEU 30 19.385 1.176 7.206
222 3HD1 LEU 30 HD1 LEU 30 21.165 1.219 7.071
223 1HD2 LEU 30 HD2 LEU 30 20.196 3.337 4.791
224 2HD2 LEU 30 HD2 LEU 30 20.582 2.355 3.374
225 3HD2 LEU 30 HD2 LEU 30 18.907 2.483 3.933
226 H ILE 31 H ILE 31 19.451 -0.868 6.940
227 HA ILE 31 HA ILE 31 20.891 -0.438 9.214
228 HB ILE 31 HB ILE 31 18.172 -0.730 8.556
229 1HG1 ILE 31 1HG1 ILE 31 19.366 0.773 10.265
230 2HG1 ILE 31 2HG1 ILE 31 17.648 0.393 10.339
231 1HG2 ILE 31 1HG2 ILE 31 18.753 -2.934 10.606
232 2HG2 ILE 31 2HG2 ILE 31 17.158 -2.319 10.141
233 3HG2 ILE 31 3HG2 ILE 31 18.190 -3.101 8.945
234 1HD1 ILE 31 1HD1 ILE 31 19.718 -1.257 11.861
235 2HD1 ILE 31 2HD1 ILE 31 18.971 0.203 12.553
236 3HD1 ILE 31 3HD1 ILE 31 17.951 -1.185 12.121
237 H THR 32 H THR 32 20.023 -3.476 7.688
238 HA THR 32 HA THR 32 21.179 -5.083 9.764
239 HB THR 32 HB THR 32 20.953 -6.983 8.141
240 HG1 THR 32 HG1 THR 32 19.622 -5.152 6.467
241 1HG2 THR 32 1HG2 THR 32 18.314 -6.583 7.824
242 2HG2 THR 32 2HG2 THR 32 19.017 -6.920 9.381
243 3HG2 THR 32 3HG2 THR 32 18.600 -5.260 8.968
244 H ARG 33 H ARG 33 22.261 -3.840 6.701
245 HA ARG 33 HA ARG 33 24.481 -5.180 6.145
246 1HB ARG 33 HB1 ARG 33 23.526 -2.862 5.444
247 2HB ARG 33 HB2 ARG 33 25.079 -2.257 6.099
248 1HG ARG 33 HG1 ARG 33 26.068 -2.900 4.187
249 2HG ARG 33 HG2 ARG 33 25.476 -4.571 4.321
250 1HD ARG 33 HD1 ARG 33 23.305 -3.960 3.302
251 2HD ARG 33 HD2 ARG 33 23.724 -2.250 3.329
252 HE ARG 33 HE ARG 33 25.024 -2.335 1.569
253 1HH2 ARG 33 HH2 ARG 33 25.040 -6.431 1.258
254 2HH2 ARG 33 HH2 ARG 33 24.341 -5.618 2.618
255 HH1 ARG 33 HH1 ARG 33 26.047 -5.048 -0.476
256 HH1 ARG 33 HH1 ARG 33 26.019 -3.326 -0.293
257 H GLN 34 H GLN 34 24.203 -2.631 8.611
258 HA GLN 34 HA GLN 34 26.889 -3.038 9.673
259 1HB GLN 34 HB1 GLN 34 26.251 -0.834 9.674
260 2HB GLN 34 HB2 GLN 34 24.652 -1.140 10.373
261 1HG GLN 34 HG1 GLN 34 25.434 -1.176 12.503
262 2HG GLN 34 HG2 GLN 34 26.935 -2.052 12.108
263 1HE2 GLN 34 1HE2 GLN 34 25.466 1.102 12.491
264 2HE2 GLN 34 2HE2 GLN 34 27.011 1.943 12.401
265 H ARG 35 H ARG 35 23.464 -3.681 10.666
266 HA ARG 35 HA ARG 35 23.963 -6.077 12.034
267 1HB ARG 35 HB1 ARG 35 23.690 -5.257 14.382
268 2HB ARG 35 HB2 ARG 35 25.274 -4.963 13.695
269 1HG ARG 35 HG1 ARG 35 25.073 -2.796 14.305
270 2HG ARG 35 HG2 ARG 35 23.885 -2.600 13.031
271 1HD ARG 35 HD1 ARG 35 22.452 -1.968 14.408
272 2HD ARG 35 HD2 ARG 35 22.219 -3.638 14.904
273 HE ARG 35 HE ARG 35 24.381 -2.884 16.399
274 1HH1 ARG 35 HH1 ARG 35 22.818 -1.126 19.050
275 2HH1 ARG 35 HH1 ARG 35 24.238 -1.969 18.518
276 1HH2 ARG 35 HH2 ARG 35 20.948 -0.909 17.481
277 2HH2 ARG 35 HH2 ARG 35 21.131 -1.642 15.925
278 H TYR 36 H TYR 36 21.935 -6.798 11.499
279 HA TYR 36 HA TYR 36 19.626 -5.629 11.091
280 1HB TYR 36 HB1 TYR 36 18.739 -7.697 11.273
281 2HB TYR 36 HB2 TYR 36 20.411 -8.167 11.257
282 HD1 TYR 36 HD1 TYR 36 17.320 -7.766 13.211
283 HD2 TYR 36 HD2 TYR 36 21.510 -8.738 13.484
284 HE1 TYR 36 HE1 TYR 36 16.939 -8.723 15.427
285 HE2 TYR 36 HE2 TYR 36 21.144 -9.713 15.705
286 HH TYR 36 HH TYR 36 19.362 -9.376 17.638
287 1HN NH2 37 HN1 NH2 237 17.937 -4.580 12.041
288 2HN NH2 37 HN2 NH2 237 17.909 -4.256 13.767
Start of MODEL 12
1 1H TYR 1 HN1 TYR 1 20.438 8.792 -10.912
2 2H TYR 1 HN2 TYR 1 21.074 10.313 -11.042
3 3H TYR 1 HN3 TYR 1 21.853 9.233 -10.085
4 HA TYR 1 HA TYR 1 20.178 9.443 -8.478
5 1HB TYR 1 HB1 TYR 1 21.191 11.218 -7.990
6 2HB TYR 1 HB2 TYR 1 21.381 11.824 -9.567
7 HD1 TYR 1 HD1 TYR 1 20.339 13.798 -10.168
8 HD2 TYR 1 HD2 TYR 1 18.420 11.373 -7.211
9 HE1 TYR 1 HE1 TYR 1 18.713 15.637 -9.774
10 HE2 TYR 1 HE2 TYR 1 16.713 13.121 -6.945
11 HH TYR 1 HH TYR 1 15.853 15.110 -7.650
12 HA PRO 2 HA PRO 2 16.377 11.481 -10.403
13 1HB PRO 2 HB1 PRO 2 16.646 12.178 -13.269
14 2HB PRO 2 HB2 PRO 2 16.831 13.161 -11.767
15 1HG PRO 2 HG1 PRO 2 18.679 12.022 -13.708
16 2HG PRO 2 HG2 PRO 2 18.855 13.478 -12.644
17 1HD PRO 2 HD1 PRO 2 19.714 10.802 -12.505
18 2HD PRO 2 HD2 PRO 2 20.040 12.131 -11.341
19 H SER 3 H SER 3 15.439 9.397 -10.181
20 HA SER 3 HA SER 3 14.371 8.205 -12.497
21 1HB SER 3 HB1 SER 3 16.780 7.269 -12.706
22 2HB SER 3 HB2 SER 3 16.564 6.608 -11.055
23 HG SER 3 HG SER 3 15.132 6.027 -13.414
24 H LYS 4 H LYS 4 13.214 6.213 -11.874
25 HA LYS 4 HA LYS 4 11.529 5.266 -10.594
26 1HB LYS 4 HB1 LYS 4 13.984 5.302 -8.884
27 2HB LYS 4 HB2 LYS 4 12.486 5.146 -7.999
28 1HG LYS 4 HG1 LYS 4 12.535 3.440 -10.512
29 2HG LYS 4 HG2 LYS 4 13.879 3.178 -9.499
30 1HD LYS 4 HD1 LYS 4 12.758 2.175 -7.907
31 2HD LYS 4 HD2 LYS 4 11.439 3.332 -7.860
32 1HE LYS 4 HE1 LYS 4 10.371 2.456 -9.749
33 2HE LYS 4 HE2 LYS 4 11.630 1.214 -10.050
34 1HZ LYS 4 HZ1 LYS 4 10.166 1.354 -7.551
35 2HZ LYS 4 HZ2 LYS 4 9.545 0.569 -8.848
36 3HZ LYS 4 HZ3 LYS 4 11.012 0.084 -8.185
37 HA PRO 5 HA PRO 5 10.001 9.276 -9.177
38 1HB PRO 5 HB1 PRO 5 7.668 9.129 -10.840
39 2HB PRO 5 HB2 PRO 5 9.199 9.914 -11.218
40 1HG PRO 5 HG1 PRO 5 7.925 7.475 -12.013
41 2HG PRO 5 HG2 PRO 5 9.194 8.404 -12.941
42 1HD PRO 5 HD1 PRO 5 9.590 5.991 -11.391
43 2HD PRO 5 HD2 PRO 5 10.850 7.047 -12.155
44 H ASP 6 H ASP 6 9.697 8.528 -7.129
45 HA ASP 6 HA ASP 6 7.499 6.669 -6.487
46 1HB ASP 6 HB1 ASP 6 9.869 6.863 -5.328
47 2HB ASP 6 HB2 ASP 6 9.155 8.299 -4.506
48 H ASN 7 H ASN 7 5.711 7.250 -5.337
49 HA ASN 7 HA ASN 7 5.167 9.800 -4.268
50 1HB ASN 7 HB1 ASN 7 3.543 10.626 -5.870
51 2HB ASN 7 HB2 ASN 7 5.177 10.783 -6.483
52 1HD2 ASN 7 HD2 ASN 7 2.125 9.752 -7.194
53 2HD2 ASN 7 HD2 ASN 7 2.540 8.655 -8.582
54 HA PRO 8 HA PRO 8 2.184 6.456 -3.315
55 1HB PRO 8 HB1 PRO 8 1.936 7.065 -0.663
56 2HB PRO 8 HB2 PRO 8 3.123 5.990 -1.345
57 1HG PRO 8 HG1 PRO 8 3.604 8.667 -0.299
58 2HG PRO 8 HG2 PRO 8 4.766 7.323 -0.520
59 1HD PRO 8 HD1 PRO 8 4.324 9.664 -2.152
60 2HD PRO 8 HD2 PRO 8 5.398 8.262 -2.500
61 H GLY 9 H GLY 9 0.286 7.188 -4.317
62 1HA GLY 9 HA1 GLY 9 -1.372 9.208 -2.886
63 2HA GLY 9 HA2 GLY 9 -1.042 9.306 -4.652
64 H GLU 10 H GLU 10 -1.804 6.660 -2.293
65 HA GLU 10 HA GLU 10 -4.140 5.936 -3.974
66 1HB GLU 10 HB1 GLU 10 -1.872 4.438 -4.017
67 2HB GLU 10 HB2 GLU 10 -2.749 3.675 -2.702
68 1HG GLU 10 HG1 GLU 10 -3.404 2.607 -4.757
69 2HG GLU 10 HG2 GLU 10 -4.771 3.537 -4.348
70 H ASP 11 H ASP 11 -4.703 3.755 -2.169
71 HA ASP 11 HA ASP 11 -5.026 4.416 0.490
72 1HB ASP 11 HB1 ASP 11 -6.575 6.337 -0.886
73 2HB ASP 11 HB2 ASP 11 -7.722 5.023 -0.964
74 H ALA 12 H ALA 12 -4.687 2.183 0.565
75 HA ALA 12 HA ALA 12 -7.126 0.666 0.263
76 1HB ALA 12 HB1 ALA 12 -5.387 -1.119 -1.048
77 2HB ALA 12 HB2 ALA 12 -6.682 -0.158 -1.796
78 3HB ALA 12 HB3 ALA 12 -5.015 0.451 -1.781
79 HA PRO 13 HA PRO 13 -5.223 -1.197 3.764
80 1HB PRO 13 HB1 PRO 13 -6.543 -3.723 3.771
81 2HB PRO 13 HB2 PRO 13 -7.196 -2.165 4.370
82 1HG PRO 13 HG1 PRO 13 -7.915 -3.665 1.899
83 2HG PRO 13 HG2 PRO 13 -8.845 -2.404 2.788
84 1HD PRO 13 HD1 PRO 13 -7.291 -2.099 0.382
85 2HD PRO 13 HD2 PRO 13 -8.145 -0.856 1.367
86 H ALA 14 H ALA 14 -3.429 -2.385 4.120
87 HA ALA 14 HA ALA 14 -1.708 -3.879 3.919
88 1HB ALA 14 HB1 ALA 14 -1.915 -5.945 2.832
89 2HB ALA 14 HB2 ALA 14 -3.564 -5.542 3.424
90 3HB ALA 14 HB3 ALA 14 -3.131 -5.362 1.703
91 H GLU 15 H GLU 15 -3.045 -3.331 0.632
92 HA GLU 15 HA GLU 15 -0.847 -3.264 -0.909
93 1HB GLU 15 HB1 GLU 15 -3.423 -2.764 -1.474
94 2HB GLU 15 HB2 GLU 15 -2.899 -1.086 -1.203
95 1HG GLU 15 HG1 GLU 15 -0.911 -1.825 -2.867
96 2HG GLU 15 HG2 GLU 15 -2.089 -3.079 -3.315
97 H ASP 16 H ASP 16 -1.917 -0.794 1.388
98 HA ASP 16 HA ASP 16 -0.057 1.186 0.624
99 1HB ASP 16 HB1 ASP 16 -2.102 0.837 2.699
100 2HB ASP 16 HB2 ASP 16 -0.612 1.181 3.563
101 H LEU 17 H LEU 17 0.002 -1.153 3.243
102 HA LEU 17 HA LEU 17 2.574 -0.611 4.333
103 1HB LEU 17 HB1 LEU 17 1.493 -3.449 3.997
104 2HB LEU 17 HB2 LEU 17 2.587 -2.821 5.261
105 HG LEU 17 HG LEU 17 -0.390 -2.366 4.842
106 1HD1 LEU 17 HD1 LEU 17 0.560 -4.455 6.051
107 2HD1 LEU 17 HD1 LEU 17 1.032 -3.345 7.345
108 3HD1 LEU 17 HD1 LEU 17 -0.670 -3.512 6.898
109 1HD2 LEU 17 HD2 LEU 17 0.737 -0.168 5.539
110 2HD2 LEU 17 HD2 LEU 17 -0.470 -0.780 6.609
111 3HD2 LEU 17 HD2 LEU 17 1.261 -1.001 7.005
112 H ALA 18 H ALA 18 1.660 -2.430 1.448
113 HA ALA 18 HA ALA 18 4.288 -3.481 0.777
114 1HB ALA 18 HB1 ALA 18 3.035 -2.876 -1.658
115 2HB ALA 18 HB2 ALA 18 2.861 -4.369 -0.714
116 3HB ALA 18 HB3 ALA 18 1.668 -3.110 -0.565
117 H ARG 19 H ARG 19 2.748 -0.314 0.152
118 HA ARG 19 HA ARG 19 4.872 0.716 -1.479
119 1HB ARG 19 HB1 ARG 19 2.341 1.653 -0.633
120 2HB ARG 19 HB2 ARG 19 3.401 2.594 0.355
121 1HG ARG 19 HG1 ARG 19 3.397 3.922 -1.397
122 2HG ARG 19 HG2 ARG 19 4.809 2.984 -1.887
123 1HD ARG 19 HD1 ARG 19 3.685 2.001 -3.647
124 2HD ARG 19 HD2 ARG 19 2.165 1.862 -2.724
125 HE ARG 19 HE ARG 19 2.867 4.582 -3.480
126 1HH1 ARG 19 HH1 ARG 19 0.119 4.771 -5.737
127 2HH1 ARG 19 HH1 ARG 19 1.400 5.671 -4.991
128 1HH2 ARG 19 HH2 ARG 19 -0.014 2.465 -5.415
129 2HH2 ARG 19 HH2 ARG 19 1.063 1.674 -4.326
130 H TYR 20 H TYR 20 4.117 1.138 1.949
131 HA TYR 20 HA TYR 20 6.576 2.503 2.620
132 1HB TYR 20 HB1 TYR 20 4.820 2.803 4.171
133 2HB TYR 20 HB2 TYR 20 4.430 1.074 4.142
134 HD1 TYR 20 HD1 TYR 20 4.659 0.013 6.141
135 HD2 TYR 20 HD2 TYR 20 7.634 2.925 4.938
136 HE1 TYR 20 HE1 TYR 20 6.159 -0.490 8.082
137 HE2 TYR 20 HE2 TYR 20 8.850 2.580 6.969
138 HH TYR 20 HH TYR 20 8.083 1.558 9.555
139 H TYR 21 H TYR 21 5.858 -0.790 1.937
140 HA TYR 21 HA TYR 21 7.808 -2.043 3.576
141 1HB TYR 21 HB1 TYR 21 5.881 -2.803 1.809
142 2HB TYR 21 HB2 TYR 21 7.316 -3.244 0.943
143 HD1 TYR 21 HD1 TYR 21 8.501 -5.191 1.789
144 HD2 TYR 21 HD2 TYR 21 5.188 -3.544 4.011
145 HE1 TYR 21 HE1 TYR 21 8.374 -7.235 3.227
146 HE2 TYR 21 HE2 TYR 21 5.053 -5.609 5.293
147 HH TYR 21 HH TYR 21 6.986 -8.469 4.684
148 H SER 22 H SER 22 7.857 -0.752 0.160
149 HA SER 22 HA SER 22 10.298 -1.677 -0.522
150 1HB SER 22 HB1 SER 22 8.718 0.886 -1.216
151 2HB SER 22 HB2 SER 22 10.358 0.653 -1.917
152 HG SER 22 HG SER 22 8.745 -0.345 -3.178
153 H ALA 23 H ALA 23 9.483 1.357 1.075
154 HA ALA 23 HA ALA 23 12.224 2.337 1.198
155 1HB ALA 23 HB1 ALA 23 10.189 3.452 3.063
156 2HB ALA 23 HB2 ALA 23 11.339 4.252 1.967
157 3HB ALA 23 HB3 ALA 23 9.834 3.569 1.331
158 H LEU 24 H LEU 24 10.018 0.356 3.426
159 HA LEU 24 HA LEU 24 11.642 0.573 5.590
160 1HB LEU 24 HB1 LEU 24 9.179 0.179 5.512
161 2HB LEU 24 HB2 LEU 24 9.474 -1.444 4.755
162 HG LEU 24 HG LEU 24 10.684 -1.892 6.424
163 1HD1 LEU 24 HD1 LEU 24 11.674 -0.159 7.720
164 2HD1 LEU 24 HD1 LEU 24 10.225 0.807 7.568
165 3HD1 LEU 24 HD1 LEU 24 10.321 -0.438 8.824
166 1HD2 LEU 24 HD2 LEU 24 8.412 -1.508 8.300
167 2HD2 LEU 24 HD2 LEU 24 7.846 -1.538 6.623
168 3HD2 LEU 24 HD2 LEU 24 8.775 -2.856 7.310
169 H ARG 25 H ARG 25 11.552 -1.351 2.625
170 HA ARG 25 HA ARG 25 13.145 -3.526 3.646
171 1HB ARG 25 HB1 ARG 25 11.925 -4.044 1.746
172 2HB ARG 25 HB2 ARG 25 12.245 -2.560 0.889
173 1HG ARG 25 HG1 ARG 25 14.392 -3.011 0.214
174 2HG ARG 25 HG2 ARG 25 14.665 -4.247 1.468
175 1HD ARG 25 HD1 ARG 25 12.586 -5.320 0.075
176 2HD ARG 25 HD2 ARG 25 13.510 -4.563 -1.209
177 HE ARG 25 HE ARG 25 15.197 -6.143 -0.893
178 1HH1 ARG 25 HH1 ARG 25 15.578 -8.617 1.596
179 2HH1 ARG 25 HH1 ARG 25 16.241 -7.976 0.169
180 1HH2 ARG 25 HH2 ARG 25 13.620 -7.590 2.610
181 2HH2 ARG 25 HH2 ARG 25 12.972 -6.185 1.860
182 H HIS 26 H HIS 26 13.769 -0.535 1.725
183 HA HIS 26 HA HIS 26 16.535 -0.992 1.323
184 1HB HIS 26 HB1 HIS 26 15.102 0.851 0.366
185 2HB HIS 26 HB2 HIS 26 15.227 1.719 1.939
186 HD1 HIS 26 HD1 HIS 26 18.005 -0.075 -0.186
187 HD2 HIS 26 HD2 HIS 26 16.914 3.612 1.546
188 HE1 HIS 26 HE1 HIS 26 19.962 1.595 -0.480
189 H TYR 27 H TYR 27 14.863 0.673 3.981
190 HA TYR 27 HA TYR 27 17.186 1.224 5.572
191 1HB TYR 27 HB1 TYR 27 14.282 1.118 5.947
192 2HB TYR 27 HB2 TYR 27 15.178 0.806 7.434
193 HD1 TYR 27 HD1 TYR 27 13.876 3.354 5.400
194 HD2 TYR 27 HD2 TYR 27 17.275 2.394 7.903
195 HE1 TYR 27 HE1 TYR 27 14.350 5.724 5.702
196 HE2 TYR 27 HE2 TYR 27 17.515 4.791 8.487
197 HH TYR 27 HH TYR 27 15.467 7.407 7.077
198 H ILE 28 H ILE 28 14.647 -1.295 6.200
199 HA ILE 28 HA ILE 28 16.275 -2.704 8.124
200 HB ILE 28 HB ILE 28 14.252 -3.720 6.190
201 1HG1 ILE 28 1HG1 ILE 28 14.049 -2.652 9.069
202 2HG1 ILE 28 2HG1 ILE 28 13.386 -1.893 7.653
203 1HG2 ILE 28 1HG2 ILE 28 15.800 -5.128 8.337
204 2HG2 ILE 28 2HG2 ILE 28 14.111 -5.398 8.466
205 3HG2 ILE 28 3HG2 ILE 28 14.882 -5.765 6.935
206 1HD1 ILE 28 1HD1 ILE 28 12.400 -4.266 9.067
207 2HD1 ILE 28 2HD1 ILE 28 11.485 -2.942 8.427
208 3HD1 ILE 28 3HD1 ILE 28 12.103 -4.208 7.322
209 H ASN 29 H ASN 29 16.671 -2.562 4.650
210 HA ASN 29 HA ASN 29 18.323 -4.979 4.396
211 1HB ASN 29 HB1 ASN 29 17.157 -4.293 2.483
212 2HB ASN 29 HB2 ASN 29 17.731 -2.613 2.599
213 1HD2 ASN 29 HD2 ASN 29 18.973 -5.867 2.225
214 2HD2 ASN 29 HD2 ASN 29 20.298 -5.405 1.215
215 H LEU 30 H LEU 30 18.827 -1.488 4.408
216 HA LEU 30 HA LEU 30 21.671 -1.690 4.230
217 1HB LEU 30 HB1 LEU 30 21.837 0.580 4.085
218 2HB LEU 30 HB2 LEU 30 20.267 0.217 3.373
219 HG LEU 30 HG LEU 30 19.282 0.773 5.669
220 1HD1 LEU 30 HD1 LEU 30 22.065 1.041 6.420
221 2HD1 LEU 30 HD1 LEU 30 21.357 2.631 6.519
222 3HD1 LEU 30 HD1 LEU 30 20.603 1.349 7.410
223 1HD2 LEU 30 HD2 LEU 30 19.333 3.201 5.278
224 2HD2 LEU 30 HD2 LEU 30 20.669 2.959 4.121
225 3HD2 LEU 30 HD2 LEU 30 19.059 2.282 3.789
226 H ILE 31 H ILE 31 19.523 -0.668 6.801
227 HA ILE 31 HA ILE 31 21.084 -0.423 8.805
228 HB ILE 31 HB ILE 31 18.401 -0.499 8.605
229 1HG1 ILE 31 1HG1 ILE 31 20.072 0.753 10.272
230 2HG1 ILE 31 2HG1 ILE 31 18.374 0.701 10.444
231 1HG2 ILE 31 1HG2 ILE 31 17.488 -2.115 10.234
232 2HG2 ILE 31 2HG2 ILE 31 18.299 -2.880 8.871
233 3HG2 ILE 31 3HG2 ILE 31 19.110 -2.823 10.448
234 1HD1 ILE 31 1HD1 ILE 31 19.547 0.122 12.559
235 2HD1 ILE 31 2HD1 ILE 31 18.584 -1.236 12.079
236 3HD1 ILE 31 3HD1 ILE 31 20.347 -1.241 11.743
237 H THR 32 H THR 32 19.969 -3.438 7.596
238 HA THR 32 HA THR 32 21.245 -5.077 9.584
239 HB THR 32 HB THR 32 20.739 -6.860 7.912
240 HG1 THR 32 HG1 THR 32 19.233 -5.948 6.283
241 1HG2 THR 32 1HG2 THR 32 18.184 -6.473 8.115
242 2HG2 THR 32 2HG2 THR 32 19.117 -6.528 9.646
243 3HG2 THR 32 3HG2 THR 32 18.602 -4.998 9.032
244 H ARG 33 H ARG 33 22.007 -3.920 6.261
245 HA ARG 33 HA ARG 33 24.069 -5.356 5.563
246 1HB ARG 33 HB1 ARG 33 23.191 -2.899 4.817
247 2HB ARG 33 HB2 ARG 33 24.851 -2.504 5.295
248 1HG ARG 33 HG1 ARG 33 25.452 -4.491 3.746
249 2HG ARG 33 HG2 ARG 33 23.736 -4.411 3.262
250 1HD ARG 33 HD1 ARG 33 24.034 -2.148 2.437
251 2HD ARG 33 HD2 ARG 33 25.642 -2.019 3.119
252 HE ARG 33 HE ARG 33 24.745 -3.407 0.707
253 1HH1 ARG 33 HH1 ARG 33 28.021 -4.580 -0.060
254 2HH1 ARG 33 HH1 ARG 33 26.462 -4.367 -0.631
255 1HH2 ARG 33 HH2 ARG 33 28.593 -3.799 2.167
256 2HH2 ARG 33 HH2 ARG 33 27.351 -3.101 3.134
257 H GLN 34 H GLN 34 24.245 -2.566 7.824
258 HA GLN 34 HA GLN 34 27.035 -2.999 8.531
259 1HB GLN 34 HB1 GLN 34 26.178 -0.733 8.503
260 2HB GLN 34 HB2 GLN 34 24.921 -1.169 9.683
261 1HG GLN 34 HG1 GLN 34 26.681 -0.104 10.942
262 2HG GLN 34 HG2 GLN 34 26.781 -1.816 11.330
263 1HE2 GLN 34 1HE2 GLN 34 28.990 -1.992 11.838
264 2HE2 GLN 34 2HE2 GLN 34 30.249 -1.602 10.644
265 H ARG 35 H ARG 35 23.871 -3.189 10.274
266 HA ARG 35 HA ARG 35 24.964 -4.293 12.685
267 1HB ARG 35 HB1 ARG 35 22.295 -4.320 11.325
268 2HB ARG 35 HB2 ARG 35 22.520 -5.528 12.578
269 1HG ARG 35 HG1 ARG 35 23.248 -3.757 14.123
270 2HG ARG 35 HG2 ARG 35 22.901 -2.522 12.874
271 1HD ARG 35 HD1 ARG 35 20.734 -2.500 13.681
272 2HD ARG 35 HD2 ARG 35 20.533 -4.052 12.929
273 HE ARG 35 HE ARG 35 20.644 -5.125 14.953
274 1HH1 ARG 35 HH1 ARG 35 21.205 -3.807 18.224
275 2HH1 ARG 35 HH1 ARG 35 20.792 -5.190 17.358
276 1HH2 ARG 35 HH2 ARG 35 21.639 -1.759 17.047
277 2HH2 ARG 35 HH2 ARG 35 21.621 -1.757 15.309
278 H TYR 36 H TYR 36 23.269 -6.250 10.257
279 HA TYR 36 HA TYR 36 24.441 -8.729 11.212
280 1HB TYR 36 HB1 TYR 36 22.377 -7.802 9.217
281 2HB TYR 36 HB2 TYR 36 23.169 -9.281 8.894
282 HD1 TYR 36 HD1 TYR 36 23.236 -11.115 10.687
283 HD2 TYR 36 HD2 TYR 36 20.562 -7.719 10.763
284 HE1 TYR 36 HE1 TYR 36 21.623 -12.373 12.008
285 HE2 TYR 36 HE2 TYR 36 19.000 -8.979 12.218
286 HH TYR 36 HH TYR 36 19.323 -12.392 12.828
287 1HN NH2 37 HN1 NH2 237 24.451 -6.888 8.119
288 2HN NH2 37 HN2 NH2 237 26.022 -7.493 7.588
Start of MODEL 13
1 1H TYR 1 HN1 TYR 1 -1.013 9.641 -7.667
2 2H TYR 1 HN2 TYR 1 0.611 9.602 -7.431
3 3H TYR 1 HN3 TYR 1 -0.165 8.489 -8.350
4 HA TYR 1 HA TYR 1 -1.374 7.512 -6.644
5 1HB TYR 1 HB1 TYR 1 1.567 7.641 -6.405
6 2HB TYR 1 HB2 TYR 1 0.788 7.456 -4.840
7 HD1 TYR 1 HD1 TYR 1 0.169 6.145 -8.331
8 HD2 TYR 1 HD2 TYR 1 0.527 5.257 -4.118
9 HE1 TYR 1 HE1 TYR 1 -0.015 3.734 -8.819
10 HE2 TYR 1 HE2 TYR 1 0.346 2.854 -4.627
11 HH TYR 1 HH TYR 1 -0.644 1.475 -7.488
12 HA PRO 2 HA PRO 2 -1.276 9.932 -2.734
13 1HB PRO 2 HB1 PRO 2 0.081 12.350 -2.453
14 2HB PRO 2 HB2 PRO 2 0.672 10.768 -1.905
15 1HG PRO 2 HG1 PRO 2 1.577 12.399 -4.186
16 2HG PRO 2 HG2 PRO 2 2.363 11.029 -3.400
17 1HD PRO 2 HD1 PRO 2 0.867 11.011 -5.935
18 2HD PRO 2 HD2 PRO 2 1.659 9.647 -5.118
19 H SER 3 H SER 3 -3.431 10.649 -3.001
20 HA SER 3 HA SER 3 -3.924 13.428 -3.612
21 1HB SER 3 HB1 SER 3 -4.671 11.326 -5.626
22 2HB SER 3 HB2 SER 3 -5.676 12.746 -5.408
23 HG SER 3 HG SER 3 -2.884 12.752 -6.012
24 H LYS 4 H LYS 4 -4.478 13.009 -1.285
25 HA LYS 4 HA LYS 4 -6.562 11.201 -0.634
26 1HB LYS 4 HB1 LYS 4 -6.562 12.218 1.513
27 2HB LYS 4 HB2 LYS 4 -4.933 11.962 0.929
28 1HG LYS 4 HG1 LYS 4 -5.744 14.712 0.263
29 2HG LYS 4 HG2 LYS 4 -6.205 14.326 1.903
30 1HD LYS 4 HD1 LYS 4 -4.140 15.028 2.403
31 2HD LYS 4 HD2 LYS 4 -3.790 13.335 2.158
32 1HE LYS 4 HE1 LYS 4 -3.715 14.799 -0.420
33 2HE LYS 4 HE2 LYS 4 -2.730 15.652 0.773
34 1HZ LYS 4 HZ1 LYS 4 -2.427 12.734 0.364
35 2HZ LYS 4 HZ2 LYS 4 -1.593 13.828 -0.522
36 3HZ LYS 4 HZ3 LYS 4 -1.371 13.771 1.025
37 HA PRO 5 HA PRO 5 -10.040 13.755 -1.859
38 1HB PRO 5 HB1 PRO 5 -12.084 12.913 -0.198
39 2HB PRO 5 HB2 PRO 5 -11.412 11.981 -1.545
40 1HG PRO 5 HG1 PRO 5 -10.986 11.559 1.381
41 2HG PRO 5 HG2 PRO 5 -10.885 10.399 0.035
42 1HD PRO 5 HD1 PRO 5 -8.739 11.751 1.341
43 2HD PRO 5 HD2 PRO 5 -8.642 10.660 -0.076
44 H ASP 6 H ASP 6 -8.395 15.442 -0.718
45 HA ASP 6 HA ASP 6 -8.381 17.563 0.362
46 1HB ASP 6 HB1 ASP 6 -10.941 17.400 -0.073
47 2HB ASP 6 HB2 ASP 6 -11.088 17.004 1.622
48 H ASN 7 H ASN 7 -10.218 15.487 2.504
49 HA ASN 7 HA ASN 7 -8.784 16.079 4.815
50 1HB ASN 7 HB1 ASN 7 -11.055 14.409 4.143
51 2HB ASN 7 HB2 ASN 7 -9.975 13.429 5.106
52 1HD2 ASN 7 HD2 ASN 7 -10.548 13.592 7.378
53 2HD2 ASN 7 HD2 ASN 7 -11.161 15.105 8.026
54 HA PRO 8 HA PRO 8 -5.279 13.285 4.251
55 1HB PRO 8 HB1 PRO 8 -4.069 13.609 6.702
56 2HB PRO 8 HB2 PRO 8 -3.852 14.689 5.320
57 1HG PRO 8 HG1 PRO 8 -5.488 15.083 7.796
58 2HG PRO 8 HG2 PRO 8 -4.754 16.321 6.749
59 1HD PRO 8 HD1 PRO 8 -7.484 15.424 6.791
60 2HD PRO 8 HD2 PRO 8 -6.753 16.521 5.576
61 H GLY 9 H GLY 9 -8.022 12.731 6.125
62 1HA GLY 9 HA1 GLY 9 -7.081 10.373 7.636
63 2HA GLY 9 HA2 GLY 9 -8.681 11.079 7.632
64 H GLU 10 H GLU 10 -6.784 8.617 6.245
65 HA GLU 10 HA GLU 10 -8.907 7.808 4.379
66 1HB GLU 10 HB1 GLU 10 -7.355 7.216 2.675
67 2HB GLU 10 HB2 GLU 10 -6.959 8.836 3.106
68 1HG GLU 10 HG1 GLU 10 -4.828 8.240 3.476
69 2HG GLU 10 HG2 GLU 10 -5.336 7.243 4.851
70 H ASP 11 H ASP 11 -7.708 5.410 3.788
71 HA ASP 11 HA ASP 11 -6.767 3.759 5.799
72 1HB ASP 11 HB1 ASP 11 -9.481 4.379 6.394
73 2HB ASP 11 HB2 ASP 11 -9.410 2.709 5.884
74 H ALA 12 H ALA 12 -5.793 2.797 4.025
75 HA ALA 12 HA ALA 12 -7.405 1.506 1.887
76 1HB ALA 12 HB1 ALA 12 -4.543 1.580 1.355
77 2HB ALA 12 HB2 ALA 12 -5.857 2.060 0.313
78 3HB ALA 12 HB3 ALA 12 -5.214 3.213 1.488
79 HA PRO 13 HA PRO 13 -6.028 -2.406 3.203
80 1HB PRO 13 HB1 PRO 13 -5.427 -3.780 0.872
81 2HB PRO 13 HB2 PRO 13 -7.054 -3.401 1.479
82 1HG PRO 13 HG1 PRO 13 -5.504 -2.084 -0.746
83 2HG PRO 13 HG2 PRO 13 -7.272 -2.291 -0.559
84 1HD PRO 13 HD1 PRO 13 -5.654 -0.044 0.005
85 2HD PRO 13 HD2 PRO 13 -7.380 -0.218 0.410
86 H ALA 14 H ALA 14 -4.221 -4.077 2.534
87 HA ALA 14 HA ALA 14 -1.669 -3.126 3.318
88 1HB ALA 14 HB1 ALA 14 -2.249 -5.513 3.568
89 2HB ALA 14 HB2 ALA 14 -2.428 -5.643 1.806
90 3HB ALA 14 HB3 ALA 14 -0.828 -5.352 2.517
91 H GLU 15 H GLU 15 -3.062 -2.994 0.147
92 HA GLU 15 HA GLU 15 -0.874 -2.916 -1.436
93 1HB GLU 15 HB1 GLU 15 -3.364 -2.606 -2.017
94 2HB GLU 15 HB2 GLU 15 -3.126 -0.897 -1.617
95 1HG GLU 15 HG1 GLU 15 -0.935 -1.417 -3.191
96 2HG GLU 15 HG2 GLU 15 -2.042 -2.615 -3.834
97 H ASP 16 H ASP 16 -2.163 -0.362 0.703
98 HA ASP 16 HA ASP 16 -0.225 1.624 -0.057
99 1HB ASP 16 HB1 ASP 16 -2.466 1.965 1.098
100 2HB ASP 16 HB2 ASP 16 -1.666 1.521 2.571
101 H LEU 17 H LEU 17 -0.336 -0.754 2.596
102 HA LEU 17 HA LEU 17 2.022 0.039 3.937
103 1HB LEU 17 HB1 LEU 17 1.070 -1.422 5.316
104 2HB LEU 17 HB2 LEU 17 0.002 -1.989 4.074
105 HG LEU 17 HG LEU 17 1.658 -3.629 3.315
106 1HD1 LEU 17 HD1 LEU 17 3.400 -2.118 5.164
107 2HD1 LEU 17 HD1 LEU 17 3.445 -3.873 5.433
108 3HD1 LEU 17 HD1 LEU 17 3.868 -3.195 3.866
109 1HD2 LEU 17 HD2 LEU 17 0.501 -3.482 6.069
110 2HD2 LEU 17 HD2 LEU 17 0.133 -4.607 4.759
111 3HD2 LEU 17 HD2 LEU 17 1.558 -4.855 5.771
112 H ALA 18 H ALA 18 1.411 -2.059 1.170
113 HA ALA 18 HA ALA 18 4.007 -3.220 0.821
114 1HB ALA 18 HB1 ALA 18 1.688 -2.802 -1.049
115 2HB ALA 18 HB2 ALA 18 3.285 -3.093 -1.704
116 3HB ALA 18 HB3 ALA 18 2.550 -4.283 -0.638
117 H ARG 19 H ARG 19 2.648 -0.093 -0.073
118 HA ARG 19 HA ARG 19 4.825 0.697 -1.678
119 1HB ARG 19 HB1 ARG 19 2.372 1.755 -1.337
120 2HB ARG 19 HB2 ARG 19 3.170 2.679 -0.081
121 1HG ARG 19 HG1 ARG 19 4.902 2.673 -2.365
122 2HG ARG 19 HG2 ARG 19 3.263 2.944 -2.956
123 1HD ARG 19 HD1 ARG 19 4.280 5.046 -2.539
124 2HD ARG 19 HD2 ARG 19 3.055 4.818 -1.279
125 HE ARG 19 HE ARG 19 5.388 3.848 -0.119
126 1HH1 ARG 19 HH1 ARG 19 6.863 6.865 0.966
127 2HH1 ARG 19 HH1 ARG 19 6.616 5.213 1.402
128 1HH2 ARG 19 HH2 ARG 19 5.478 7.887 -0.565
129 2HH2 ARG 19 HH2 ARG 19 4.279 6.925 -1.383
130 H TYR 20 H TYR 20 3.991 1.461 1.707
131 HA TYR 20 HA TYR 20 6.448 2.775 2.421
132 1HB TYR 20 HB1 TYR 20 4.692 3.150 3.828
133 2HB TYR 20 HB2 TYR 20 4.126 1.506 3.864
134 HD1 TYR 20 HD1 TYR 20 4.535 0.204 5.751
135 HD2 TYR 20 HD2 TYR 20 7.114 3.557 4.946
136 HE1 TYR 20 HE1 TYR 20 5.608 -0.105 7.937
137 HE2 TYR 20 HE2 TYR 20 8.252 3.135 7.109
138 HH TYR 20 HH TYR 20 7.086 2.011 9.659
139 H TYR 21 H TYR 21 5.645 -0.538 2.025
140 HA TYR 21 HA TYR 21 7.585 -1.738 3.626
141 1HB TYR 21 HB1 TYR 21 5.569 -2.655 2.085
142 2HB TYR 21 HB2 TYR 21 6.898 -3.195 1.066
143 HD1 TYR 21 HD1 TYR 21 8.760 -3.843 3.653
144 HD2 TYR 21 HD2 TYR 21 4.727 -4.765 2.477
145 HE1 TYR 21 HE1 TYR 21 8.690 -5.671 5.285
146 HE2 TYR 21 HE2 TYR 21 4.705 -6.686 3.994
147 HH TYR 21 HH TYR 21 7.304 -7.007 6.501
148 H SER 22 H SER 22 7.772 -0.776 0.101
149 HA SER 22 HA SER 22 10.258 -1.761 -0.368
150 1HB SER 22 HB1 SER 22 8.612 0.409 -1.553
151 2HB SER 22 HB2 SER 22 10.325 0.431 -1.979
152 HG SER 22 HG SER 22 8.406 -1.670 -2.222
153 H ALA 23 H ALA 23 9.446 1.392 1.036
154 HA ALA 23 HA ALA 23 12.265 2.296 1.308
155 1HB ALA 23 HB1 ALA 23 9.713 3.112 2.726
156 2HB ALA 23 HB2 ALA 23 11.336 3.774 3.129
157 3HB ALA 23 HB3 ALA 23 10.648 4.029 1.517
158 H LEU 24 H LEU 24 9.933 0.669 3.494
159 HA LEU 24 HA LEU 24 11.834 0.422 5.599
160 1HB LEU 24 HB1 LEU 24 9.471 -1.265 4.765
161 2HB LEU 24 HB2 LEU 24 10.641 -1.902 5.926
162 HG LEU 24 HG LEU 24 8.736 0.402 6.209
163 1HD1 LEU 24 HD1 LEU 24 9.019 -1.093 8.609
164 2HD1 LEU 24 HD1 LEU 24 7.729 -1.231 7.414
165 3HD1 LEU 24 HD1 LEU 24 9.137 -2.293 7.338
166 1HD2 LEU 24 HD2 LEU 24 10.656 1.570 6.922
167 2HD2 LEU 24 HD2 LEU 24 9.859 0.999 8.376
168 3HD2 LEU 24 HD2 LEU 24 11.321 0.168 7.800
169 H ARG 25 H ARG 25 11.419 -1.584 2.672
170 HA ARG 25 HA ARG 25 13.238 -3.545 3.575
171 1HB ARG 25 HB1 ARG 25 12.057 -4.187 1.651
172 2HB ARG 25 HB2 ARG 25 12.269 -2.657 0.820
173 1HG ARG 25 HG1 ARG 25 14.481 -3.029 0.229
174 2HG ARG 25 HG2 ARG 25 14.744 -4.297 1.418
175 1HD ARG 25 HD1 ARG 25 14.003 -5.921 0.017
176 2HD ARG 25 HD2 ARG 25 12.638 -4.938 -0.535
177 HE ARG 25 HE ARG 25 13.793 -4.229 -2.321
178 1HH1 ARG 25 HH1 ARG 25 17.036 -4.973 -3.404
179 2HH1 ARG 25 HH1 ARG 25 15.541 -4.199 -3.799
180 1HH2 ARG 25 HH2 ARG 25 17.353 -5.864 -1.284
181 2HH2 ARG 25 HH2 ARG 25 16.156 -5.700 -0.084
182 H HIS 26 H HIS 26 13.729 -0.535 1.613
183 HA HIS 26 HA HIS 26 16.472 -0.934 1.264
184 1HB HIS 26 HB1 HIS 26 15.027 0.883 0.269
185 2HB HIS 26 HB2 HIS 26 15.216 1.782 1.758
186 HD1 HIS 26 HD1 HIS 26 17.933 -0.073 -0.348
187 HD2 HIS 26 HD2 HIS 26 16.917 3.692 1.239
188 HE1 HIS 26 HE1 HIS 26 19.808 1.515 -0.999
189 H TYR 27 H TYR 27 14.790 0.700 3.926
190 HA TYR 27 HA TYR 27 17.097 1.285 5.529
191 1HB TYR 27 HB1 TYR 27 14.159 1.179 5.951
192 2HB TYR 27 HB2 TYR 27 15.168 0.882 7.380
193 HD1 TYR 27 HD1 TYR 27 13.764 3.481 5.411
194 HD2 TYR 27 HD2 TYR 27 17.134 2.388 7.861
195 HE1 TYR 27 HE1 TYR 27 14.311 5.869 5.718
196 HE2 TYR 27 HE2 TYR 27 17.497 4.737 8.420
197 HH TYR 27 HH TYR 27 16.603 6.868 8.268
198 H ILE 28 H ILE 28 14.724 -1.237 6.230
199 HA ILE 28 HA ILE 28 16.176 -2.609 8.044
200 HB ILE 28 HB ILE 28 14.187 -3.785 6.134
201 1HG1 ILE 28 1HG1 ILE 28 13.981 -2.756 9.008
202 2HG1 ILE 28 2HG1 ILE 28 13.307 -1.939 7.591
203 1HG2 ILE 28 1HG2 ILE 28 15.053 -4.886 8.833
204 2HG2 ILE 28 2HG2 ILE 28 13.985 -5.654 7.657
205 3HG2 ILE 28 3HG2 ILE 28 15.708 -5.506 7.315
206 1HD1 ILE 28 1HD1 ILE 28 11.493 -3.071 8.600
207 2HD1 ILE 28 2HD1 ILE 28 11.984 -4.094 7.212
208 3HD1 ILE 28 3HD1 ILE 28 12.420 -4.546 8.871
209 H ASN 29 H ASN 29 16.654 -2.744 4.569
210 HA ASN 29 HA ASN 29 18.461 -4.993 4.348
211 1HB ASN 29 HB1 ASN 29 17.280 -4.174 2.421
212 2HB ASN 29 HB2 ASN 29 17.886 -2.558 2.654
213 1HD2 ASN 29 HD2 ASN 29 19.269 -5.897 2.025
214 2HD2 ASN 29 HD2 ASN 29 20.486 -5.284 0.959
215 H LEU 30 H LEU 30 18.975 -1.484 4.487
216 HA LEU 30 HA LEU 30 21.879 -1.802 4.447
217 1HB LEU 30 HB1 LEU 30 22.065 0.603 4.649
218 2HB LEU 30 HB2 LEU 30 20.885 0.107 3.421
219 HG LEU 30 HG LEU 30 19.108 0.597 5.086
220 1HD1 LEU 30 HD1 LEU 30 20.305 2.768 6.486
221 2HD1 LEU 30 HD1 LEU 30 19.501 1.346 7.137
222 3HD1 LEU 30 HD1 LEU 30 21.256 1.337 6.900
223 1HD2 LEU 30 HD2 LEU 30 19.041 2.938 4.492
224 2HD2 LEU 30 HD2 LEU 30 20.739 2.879 3.985
225 3HD2 LEU 30 HD2 LEU 30 19.522 1.922 3.127
226 H ILE 31 H ILE 31 19.526 -0.911 6.869
227 HA ILE 31 HA ILE 31 21.129 -0.450 9.056
228 HB ILE 31 HB ILE 31 18.442 -0.512 8.565
229 1HG1 ILE 31 1HG1 ILE 31 19.837 0.651 10.379
230 2HG1 ILE 31 2HG1 ILE 31 18.073 0.573 10.331
231 1HG2 ILE 31 1HG2 ILE 31 17.266 -2.097 10.025
232 2HG2 ILE 31 2HG2 ILE 31 18.218 -2.916 8.828
233 3HG2 ILE 31 3HG2 ILE 31 18.780 -2.913 10.471
234 1HD1 ILE 31 1HD1 ILE 31 18.056 -1.143 12.053
235 2HD1 ILE 31 2HD1 ILE 31 19.798 -1.383 11.855
236 3HD1 ILE 31 3HD1 ILE 31 19.200 0.119 12.579
237 H THR 32 H THR 32 19.869 -3.529 7.740
238 HA THR 32 HA THR 32 21.099 -5.207 9.730
239 HB THR 32 HB THR 32 20.423 -7.010 8.269
240 HG1 THR 32 HG1 THR 32 20.639 -6.019 6.233
241 1HG2 THR 32 1HG2 THR 32 18.443 -5.094 9.315
242 2HG2 THR 32 2HG2 THR 32 17.924 -6.480 8.370
243 3HG2 THR 32 3HG2 THR 32 18.942 -6.696 9.792
244 H ARG 33 H ARG 33 21.850 -4.313 6.305
245 HA ARG 33 HA ARG 33 24.032 -5.845 5.773
246 1HB ARG 33 HB1 ARG 33 22.821 -3.694 4.596
247 2HB ARG 33 HB2 ARG 33 24.494 -3.067 4.881
248 1HG ARG 33 HG1 ARG 33 25.325 -5.152 3.668
249 2HG ARG 33 HG2 ARG 33 23.631 -5.648 3.512
250 1HD ARG 33 HD1 ARG 33 23.273 -3.260 2.431
251 2HD ARG 33 HD2 ARG 33 25.023 -3.331 2.242
252 HE ARG 33 HE ARG 33 24.264 -5.722 1.206
253 1HH1 ARG 33 HH1 ARG 33 23.861 -4.766 -2.115
254 2HH1 ARG 33 HH1 ARG 33 23.710 -6.081 -1.007
255 1HH2 ARG 33 HH2 ARG 33 24.096 -2.444 -1.170
256 2HH2 ARG 33 HH2 ARG 33 24.110 -2.337 0.561
257 H GLN 34 H GLN 34 24.166 -2.702 7.411
258 HA GLN 34 HA GLN 34 26.866 -2.987 8.332
259 1HB GLN 34 HB1 GLN 34 25.803 -0.804 8.010
260 2HB GLN 34 HB2 GLN 34 24.607 -1.203 9.238
261 1HG GLN 34 HG1 GLN 34 26.201 0.270 10.249
262 2HG GLN 34 HG2 GLN 34 26.497 -1.313 10.953
263 1HE2 GLN 34 1HE2 GLN 34 27.713 1.150 8.707
264 2HE2 GLN 34 2HE2 GLN 34 29.301 0.524 8.539
265 H ARG 35 H ARG 35 23.704 -3.718 9.908
266 HA ARG 35 HA ARG 35 25.047 -4.476 12.461
267 1HB ARG 35 HB1 ARG 35 22.106 -4.239 11.772
268 2HB ARG 35 HB2 ARG 35 22.737 -4.884 13.290
269 1HG ARG 35 HG1 ARG 35 23.742 -2.911 13.929
270 2HG ARG 35 HG2 ARG 35 23.639 -2.211 12.305
271 1HD ARG 35 HD1 ARG 35 21.628 -1.259 12.866
272 2HD ARG 35 HD2 ARG 35 20.958 -2.857 13.107
273 HE ARG 35 HE ARG 35 20.989 -2.532 15.333
274 1HH1 ARG 35 HH1 ARG 35 22.387 -0.145 17.457
275 2HH1 ARG 35 HH1 ARG 35 21.639 -1.677 17.368
276 1HH2 ARG 35 HH2 ARG 35 23.684 0.509 15.476
277 2HH2 ARG 35 HH2 ARG 35 23.237 -0.156 13.930
278 H TYR 36 H TYR 36 22.332 -6.135 11.014
279 HA TYR 36 HA TYR 36 21.815 -8.296 11.492
280 1HB TYR 36 HB1 TYR 36 21.987 -7.480 9.337
281 2HB TYR 36 HB2 TYR 36 23.435 -8.297 8.919
282 HD1 TYR 36 HD1 TYR 36 21.410 -10.482 10.955
283 HD2 TYR 36 HD2 TYR 36 21.601 -8.672 7.050
284 HE1 TYR 36 HE1 TYR 36 19.713 -12.067 10.113
285 HE2 TYR 36 HE2 TYR 36 19.759 -10.103 6.290
286 HH TYR 36 HH TYR 36 17.824 -11.730 7.934
287 1HN NH2 37 HN1 NH2 237 23.028 -8.990 13.560
288 2HN NH2 37 HN2 NH2 237 24.451 -9.945 13.313
Start of MODEL 14
1 1H TYR 1 HN1 TYR 1 2.052 -3.540 -23.113
2 2H TYR 1 HN2 TYR 1 0.956 -4.750 -22.787
3 3H TYR 1 HN3 TYR 1 1.902 -4.784 -24.140
4 HA TYR 1 HA TYR 1 1.084 -3.027 -25.205
5 1HB TYR 1 HB1 TYR 1 -0.860 -5.085 -24.315
6 2HB TYR 1 HB2 TYR 1 -1.647 -3.595 -24.669
7 HD1 TYR 1 HD1 TYR 1 -0.791 -6.505 -26.141
8 HD2 TYR 1 HD2 TYR 1 -0.618 -2.321 -26.856
9 HE1 TYR 1 HE1 TYR 1 -0.747 -6.975 -28.606
10 HE2 TYR 1 HE2 TYR 1 -0.478 -2.782 -29.343
11 HH TYR 1 HH TYR 1 0.344 -4.995 -30.942
12 HA PRO 2 HA PRO 2 -1.655 -0.318 -22.746
13 1HB PRO 2 HB1 PRO 2 -2.511 -0.734 -20.173
14 2HB PRO 2 HB2 PRO 2 -3.305 -1.318 -21.652
15 1HG PRO 2 HG1 PRO 2 -1.797 -2.930 -19.684
16 2HG PRO 2 HG2 PRO 2 -3.099 -3.400 -20.811
17 1HD PRO 2 HD1 PRO 2 -0.273 -3.756 -21.155
18 2HD PRO 2 HD2 PRO 2 -1.569 -4.086 -22.343
19 H SER 3 H SER 3 -0.487 -1.246 -19.534
20 HA SER 3 HA SER 3 2.036 -0.103 -19.459
21 1HB SER 3 HB1 SER 3 -0.068 1.955 -19.514
22 2HB SER 3 HB2 SER 3 0.755 1.971 -18.018
23 HG SER 3 HG SER 3 2.477 1.802 -20.238
24 H LYS 4 H LYS 4 -1.075 0.054 -17.646
25 HA LYS 4 HA LYS 4 -1.578 -0.586 -15.531
26 1HB LYS 4 HB1 LYS 4 0.404 -2.737 -16.160
27 2HB LYS 4 HB2 LYS 4 -0.473 -2.721 -14.667
28 1HG LYS 4 HG1 LYS 4 -2.155 -2.483 -17.141
29 2HG LYS 4 HG2 LYS 4 -1.242 -3.969 -16.958
30 1HD LYS 4 HD1 LYS 4 -3.301 -4.471 -15.925
31 2HD LYS 4 HD2 LYS 4 -2.150 -4.253 -14.631
32 1HE LYS 4 HE1 LYS 4 -3.030 -1.891 -14.274
33 2HE LYS 4 HE2 LYS 4 -4.192 -2.212 -15.571
34 1HZ LYS 4 HZ1 LYS 4 -4.900 -4.117 -13.732
35 2HZ LYS 4 HZ2 LYS 4 -4.394 -2.864 -12.791
36 3HZ LYS 4 HZ3 LYS 4 -5.504 -2.591 -13.859
37 HA PRO 5 HA PRO 5 2.134 1.590 -14.020
38 1HB PRO 5 HB1 PRO 5 1.043 4.060 -13.428
39 2HB PRO 5 HB2 PRO 5 1.636 3.620 -15.045
40 1HG PRO 5 HG1 PRO 5 -1.184 3.780 -14.113
41 2HG PRO 5 HG2 PRO 5 -0.540 4.049 -15.743
42 1HD PRO 5 HD1 PRO 5 -1.764 1.683 -14.730
43 2HD PRO 5 HD2 PRO 5 -0.964 1.876 -16.306
44 H ASP 6 H ASP 6 2.314 2.836 -11.799
45 HA ASP 6 HA ASP 6 1.350 1.028 -9.817
46 1HB ASP 6 HB1 ASP 6 3.122 3.440 -9.978
47 2HB ASP 6 HB2 ASP 6 2.298 3.065 -8.424
48 H ASN 7 H ASN 7 0.741 4.462 -10.382
49 HA ASN 7 HA ASN 7 -1.135 5.731 -10.183
50 1HB ASN 7 HB1 ASN 7 -2.247 3.153 -10.693
51 2HB ASN 7 HB2 ASN 7 -3.227 3.835 -9.397
52 1HD2 ASN 7 HD2 ASN 7 -5.012 4.932 -10.165
53 2HD2 ASN 7 HD2 ASN 7 -5.080 5.625 -11.762
54 HA PRO 8 HA PRO 8 -0.512 5.652 -5.636
55 1HB PRO 8 HB1 PRO 8 -0.043 8.389 -5.323
56 2HB PRO 8 HB2 PRO 8 1.202 7.196 -5.733
57 1HG PRO 8 HG1 PRO 8 -0.068 9.183 -7.500
58 2HG PRO 8 HG2 PRO 8 1.543 8.432 -7.610
59 1HD PRO 8 HD1 PRO 8 -0.792 7.719 -9.083
60 2HD PRO 8 HD2 PRO 8 0.727 6.806 -9.031
61 H GLY 9 H GLY 9 -1.683 7.079 -3.873
62 1HA GLY 9 HA1 GLY 9 -3.436 8.404 -3.162
63 2HA GLY 9 HA2 GLY 9 -4.178 8.378 -4.773
64 H GLU 10 H GLU 10 -4.234 5.588 -5.206
65 HA GLU 10 HA GLU 10 -6.280 4.652 -3.265
66 1HB GLU 10 HB1 GLU 10 -6.452 4.426 -5.806
67 2HB GLU 10 HB2 GLU 10 -5.227 3.157 -5.694
68 1HG GLU 10 HG1 GLU 10 -6.747 1.919 -4.140
69 2HG GLU 10 HG2 GLU 10 -7.938 3.263 -4.300
70 H ASP 11 H ASP 11 -4.934 4.704 -1.511
71 HA ASP 11 HA ASP 11 -2.509 3.451 -0.981
72 1HB ASP 11 HB1 ASP 11 -4.854 3.340 0.951
73 2HB ASP 11 HB2 ASP 11 -3.134 3.405 1.299
74 H ALA 12 H ALA 12 -5.779 2.063 -0.633
75 HA ALA 12 HA ALA 12 -6.724 0.086 -0.814
76 1HB ALA 12 HB1 ALA 12 -5.907 -1.627 -2.322
77 2HB ALA 12 HB2 ALA 12 -5.593 -0.030 -3.022
78 3HB ALA 12 HB3 ALA 12 -4.283 -0.970 -2.275
79 HA PRO 13 HA PRO 13 -5.295 -2.114 2.757
80 1HB PRO 13 HB1 PRO 13 -6.395 -4.658 2.394
81 2HB PRO 13 HB2 PRO 13 -7.227 -3.295 3.169
82 1HG PRO 13 HG1 PRO 13 -7.834 -4.431 0.591
83 2HG PRO 13 HG2 PRO 13 -8.756 -3.261 1.524
84 1HD PRO 13 HD1 PRO 13 -6.971 -2.799 -0.747
85 2HD PRO 13 HD2 PRO 13 -8.029 -1.630 0.083
86 H ALA 14 H ALA 14 -3.434 -3.381 3.219
87 HA ALA 14 HA ALA 14 -1.621 -4.595 3.002
88 1HB ALA 14 HB1 ALA 14 -2.202 -6.661 2.455
89 2HB ALA 14 HB2 ALA 14 -3.584 -6.072 1.511
90 3HB ALA 14 HB3 ALA 14 -1.998 -6.240 0.745
91 H GLU 15 H GLU 15 -2.500 -4.011 -0.394
92 HA GLU 15 HA GLU 15 -0.048 -3.746 -1.507
93 1HB GLU 15 HB1 GLU 15 -2.756 -3.238 -2.231
94 2HB GLU 15 HB2 GLU 15 -1.861 -1.794 -2.607
95 1HG GLU 15 HG1 GLU 15 -1.726 -2.918 -4.593
96 2HG GLU 15 HG2 GLU 15 -0.194 -3.394 -3.852
97 H ASP 16 H ASP 16 -1.938 -1.300 0.383
98 HA ASP 16 HA ASP 16 -0.192 0.865 0.208
99 1HB ASP 16 HB1 ASP 16 -2.268 1.129 1.449
100 2HB ASP 16 HB2 ASP 16 -1.857 -0.098 2.612
101 H LEU 17 H LEU 17 -0.102 -1.719 2.648
102 HA LEU 17 HA LEU 17 2.239 -0.849 3.996
103 1HB LEU 17 HB1 LEU 17 1.582 -2.502 5.322
104 2HB LEU 17 HB2 LEU 17 0.425 -3.008 4.075
105 HG LEU 17 HG LEU 17 2.198 -4.402 3.017
106 1HD1 LEU 17 HD1 LEU 17 4.172 -3.469 4.300
107 2HD1 LEU 17 HD1 LEU 17 3.429 -4.052 5.806
108 3HD1 LEU 17 HD1 LEU 17 3.978 -5.201 4.545
109 1HD2 LEU 17 HD2 LEU 17 1.917 -5.979 5.258
110 2HD2 LEU 17 HD2 LEU 17 0.552 -4.878 5.419
111 3HD2 LEU 17 HD2 LEU 17 0.743 -5.834 3.928
112 H ALA 18 H ALA 18 1.763 -2.771 1.074
113 HA ALA 18 HA ALA 18 4.470 -3.685 0.790
114 1HB ALA 18 HB1 ALA 18 3.746 -3.699 -1.760
115 2HB ALA 18 HB2 ALA 18 2.973 -4.812 -0.591
116 3HB ALA 18 HB3 ALA 18 2.152 -3.361 -1.107
117 H ARG 19 H ARG 19 2.890 -0.680 -0.093
118 HA ARG 19 HA ARG 19 4.987 0.506 -1.589
119 1HB ARG 19 HB1 ARG 19 2.488 1.203 -1.208
120 2HB ARG 19 HB2 ARG 19 3.086 1.974 0.258
121 1HG ARG 19 HG1 ARG 19 3.292 3.704 -1.296
122 2HG ARG 19 HG2 ARG 19 4.953 3.028 -1.244
123 1HD ARG 19 HD1 ARG 19 4.226 1.502 -3.200
124 2HD ARG 19 HD2 ARG 19 2.664 2.270 -3.252
125 HE ARG 19 HE ARG 19 5.286 3.259 -4.147
126 1HH1 ARG 19 HH1 ARG 19 3.980 6.169 -5.511
127 2HH1 ARG 19 HH1 ARG 19 5.322 5.148 -5.363
128 1HH2 ARG 19 HH2 ARG 19 1.906 5.496 -4.395
129 2HH2 ARG 19 HH2 ARG 19 1.935 4.067 -3.415
130 H TYR 20 H TYR 20 4.030 1.006 1.858
131 HA TYR 20 HA TYR 20 6.311 2.471 2.539
132 1HB TYR 20 HB1 TYR 20 4.793 2.692 4.199
133 2HB TYR 20 HB2 TYR 20 4.095 1.092 3.930
134 HD1 TYR 20 HD1 TYR 20 7.105 2.783 5.449
135 HD2 TYR 20 HD2 TYR 20 4.274 -0.469 5.646
136 HE1 TYR 20 HE1 TYR 20 8.061 2.078 7.657
137 HE2 TYR 20 HE2 TYR 20 5.101 -1.007 7.936
138 HH TYR 20 HH TYR 20 6.746 -0.725 9.455
139 H TYR 21 H TYR 21 5.844 -0.895 2.116
140 HA TYR 21 HA TYR 21 7.932 -1.975 3.710
141 1HB TYR 21 HB1 TYR 21 5.872 -3.031 2.223
142 2HB TYR 21 HB2 TYR 21 7.213 -3.392 1.129
143 HD1 TYR 21 HD1 TYR 21 7.557 -5.727 1.361
144 HD2 TYR 21 HD2 TYR 21 6.565 -3.374 4.850
145 HE1 TYR 21 HE1 TYR 21 7.398 -7.747 2.719
146 HE2 TYR 21 HE2 TYR 21 6.780 -5.430 6.264
147 HH TYR 21 HH TYR 21 7.635 -8.568 4.871
148 H SER 22 H SER 22 7.931 -0.728 0.311
149 HA SER 22 HA SER 22 10.323 -1.820 -0.353
150 1HB SER 22 HB1 SER 22 8.833 0.572 -1.410
151 2HB SER 22 HB2 SER 22 10.172 -0.162 -2.270
152 HG SER 22 HG SER 22 7.626 -1.307 -1.848
153 H ALA 23 H ALA 23 9.514 1.270 1.217
154 HA ALA 23 HA ALA 23 12.293 2.378 1.165
155 1HB ALA 23 HB1 ALA 23 9.736 3.197 2.451
156 2HB ALA 23 HB2 ALA 23 11.285 4.048 2.837
157 3HB ALA 23 HB3 ALA 23 10.669 4.029 1.152
158 H LEU 24 H LEU 24 10.003 0.958 3.593
159 HA LEU 24 HA LEU 24 11.734 0.683 5.669
160 1HB LEU 24 HB1 LEU 24 9.145 0.277 5.422
161 2HB LEU 24 HB2 LEU 24 9.551 -1.241 4.697
162 HG LEU 24 HG LEU 24 10.921 -1.741 6.564
163 1HD1 LEU 24 HD1 LEU 24 9.572 0.019 8.541
164 2HD1 LEU 24 HD1 LEU 24 11.270 -0.376 8.383
165 3HD1 LEU 24 HD1 LEU 24 10.532 0.914 7.372
166 1HD2 LEU 24 HD2 LEU 24 9.077 -3.061 6.761
167 2HD2 LEU 24 HD2 LEU 24 8.809 -2.141 8.240
168 3HD2 LEU 24 HD2 LEU 24 7.941 -1.691 6.719
169 H ARG 25 H ARG 25 11.423 -1.432 2.700
170 HA ARG 25 HA ARG 25 13.245 -3.439 3.610
171 1HB ARG 25 HB1 ARG 25 11.983 -4.069 1.714
172 2HB ARG 25 HB2 ARG 25 12.305 -2.592 0.826
173 1HG ARG 25 HG1 ARG 25 14.601 -3.209 0.368
174 2HG ARG 25 HG2 ARG 25 14.540 -4.511 1.538
175 1HD ARG 25 HD1 ARG 25 14.285 -5.818 -0.280
176 2HD ARG 25 HD2 ARG 25 12.609 -5.374 -0.096
177 HE ARG 25 HE ARG 25 14.230 -3.604 -1.832
178 1HH1 ARG 25 HH1 ARG 25 12.417 -4.664 -4.675
179 2HH1 ARG 25 HH1 ARG 25 13.657 -3.601 -4.185
180 1HH2 ARG 25 HH2 ARG 25 11.632 -6.434 -3.249
181 2HH2 ARG 25 HH2 ARG 25 12.227 -6.552 -1.694
182 H HIS 26 H HIS 26 13.717 -0.365 1.660
183 HA HIS 26 HA HIS 26 16.435 -0.921 1.282
184 1HB HIS 26 HB1 HIS 26 15.045 0.974 0.265
185 2HB HIS 26 HB2 HIS 26 15.262 1.886 1.758
186 HD1 HIS 26 HD1 HIS 26 18.030 -0.051 -0.222
187 HD2 HIS 26 HD2 HIS 26 16.976 3.738 1.251
188 HE1 HIS 26 HE1 HIS 26 20.024 1.483 -0.671
189 H TYR 27 H TYR 27 14.792 0.758 3.940
190 HA TYR 27 HA TYR 27 17.118 1.189 5.540
191 1HB TYR 27 HB1 TYR 27 14.172 1.159 5.999
192 2HB TYR 27 HB2 TYR 27 15.177 0.817 7.410
193 HD1 TYR 27 HD1 TYR 27 14.056 3.520 5.137
194 HD2 TYR 27 HD2 TYR 27 16.826 2.389 8.267
195 HE1 TYR 27 HE1 TYR 27 14.339 5.900 5.795
196 HE2 TYR 27 HE2 TYR 27 17.298 4.806 8.702
197 HH TYR 27 HH TYR 27 16.957 6.925 8.016
198 H ILE 28 H ILE 28 14.732 -1.314 6.119
199 HA ILE 28 HA ILE 28 16.181 -2.714 8.048
200 HB ILE 28 HB ILE 28 14.129 -3.787 6.155
201 1HG1 ILE 28 1HG1 ILE 28 13.965 -2.841 9.059
202 2HG1 ILE 28 2HG1 ILE 28 13.348 -1.960 7.669
203 1HG2 ILE 28 1HG2 ILE 28 15.010 -4.980 8.818
204 2HG2 ILE 28 2HG2 ILE 28 13.899 -5.698 7.603
205 3HG2 ILE 28 3HG2 ILE 28 15.592 -5.586 7.233
206 1HD1 ILE 28 1HD1 ILE 28 12.267 -4.590 8.804
207 2HD1 ILE 28 2HD1 ILE 28 11.494 -3.004 8.762
208 3HD1 ILE 28 3HD1 ILE 28 11.731 -3.908 7.250
209 H ASN 29 H ASN 29 16.483 -2.815 4.567
210 HA ASN 29 HA ASN 29 18.352 -5.011 4.315
211 1HB ASN 29 HB1 ASN 29 17.332 -4.248 2.305
212 2HB ASN 29 HB2 ASN 29 17.777 -2.598 2.578
213 1HD2 ASN 29 HD2 ASN 29 19.514 -1.744 1.773
214 2HD2 ASN 29 HD2 ASN 29 20.769 -2.621 0.939
215 H LEU 30 H LEU 30 18.835 -1.454 4.378
216 HA LEU 30 HA LEU 30 21.723 -1.771 4.341
217 1HB LEU 30 HB1 LEU 30 21.975 0.602 4.576
218 2HB LEU 30 HB2 LEU 30 20.845 0.103 3.314
219 HG LEU 30 HG LEU 30 19.085 0.578 5.137
220 1HD1 LEU 30 HD1 LEU 30 21.053 1.316 6.818
221 2HD1 LEU 30 HD1 LEU 30 20.678 2.874 6.120
222 3HD1 LEU 30 HD1 LEU 30 19.387 1.936 6.888
223 1HD2 LEU 30 HD2 LEU 30 19.888 3.230 4.138
224 2HD2 LEU 30 HD2 LEU 30 19.920 1.986 2.895
225 3HD2 LEU 30 HD2 LEU 30 18.441 2.260 3.818
226 H ILE 31 H ILE 31 19.478 -0.867 6.973
227 HA ILE 31 HA ILE 31 21.229 -0.501 9.067
228 HB ILE 31 HB ILE 31 18.547 -0.455 8.635
229 1HG1 ILE 31 1HG1 ILE 31 19.883 0.744 10.454
230 2HG1 ILE 31 2HG1 ILE 31 18.153 0.486 10.555
231 1HG2 ILE 31 1HG2 ILE 31 18.275 -2.859 8.806
232 2HG2 ILE 31 2HG2 ILE 31 18.864 -2.874 10.465
233 3HG2 ILE 31 3HG2 ILE 31 17.337 -2.048 10.040
234 1HD1 ILE 31 1HD1 ILE 31 19.389 0.097 12.705
235 2HD1 ILE 31 2HD1 ILE 31 18.329 -1.211 12.193
236 3HD1 ILE 31 3HD1 ILE 31 20.101 -1.365 11.978
237 H THR 32 H THR 32 19.857 -3.500 7.636
238 HA THR 32 HA THR 32 21.265 -5.109 9.609
239 HB THR 32 HB THR 32 20.537 -7.053 8.449
240 HG1 THR 32 HG1 THR 32 19.326 -5.373 6.578
241 1HG2 THR 32 1HG2 THR 32 18.483 -5.039 9.328
242 2HG2 THR 32 2HG2 THR 32 17.971 -6.578 8.592
243 3HG2 THR 32 3HG2 THR 32 19.001 -6.562 10.020
244 H ARG 33 H ARG 33 21.750 -4.455 6.153
245 HA ARG 33 HA ARG 33 23.867 -5.967 5.552
246 1HB ARG 33 HB1 ARG 33 22.631 -3.864 4.337
247 2HB ARG 33 HB2 ARG 33 24.291 -3.306 4.403
248 1HG ARG 33 HG1 ARG 33 24.578 -5.891 3.463
249 2HG ARG 33 HG2 ARG 33 22.952 -5.541 2.882
250 1HD ARG 33 HD1 ARG 33 24.515 -3.240 2.222
251 2HD ARG 33 HD2 ARG 33 25.548 -4.642 1.916
252 HE ARG 33 HE ARG 33 22.803 -4.801 0.829
253 1HH1 ARG 33 HH1 ARG 33 23.831 -4.097 -2.493
254 2HH1 ARG 33 HH1 ARG 33 22.548 -4.716 -1.520
255 1HH2 ARG 33 HH2 ARG 33 25.986 -3.666 -1.487
256 2HH2 ARG 33 HH2 ARG 33 26.085 -3.707 0.240
257 H GLN 34 H GLN 34 24.054 -2.688 7.015
258 HA GLN 34 HA GLN 34 26.934 -2.632 7.360
259 1HB GLN 34 HB1 GLN 34 24.567 -1.027 8.388
260 2HB GLN 34 HB2 GLN 34 26.207 -0.677 8.898
261 1HG GLN 34 HG1 GLN 34 26.196 -0.867 5.983
262 2HG GLN 34 HG2 GLN 34 24.864 0.164 6.510
263 1HE2 GLN 34 1HE2 GLN 34 28.234 0.237 5.830
264 2HE2 GLN 34 2HE2 GLN 34 28.554 1.716 6.710
265 H ARG 35 H ARG 35 24.234 -3.832 9.307
266 HA ARG 35 HA ARG 35 25.957 -4.362 11.650
267 1HB ARG 35 HB1 ARG 35 23.773 -3.552 12.101
268 2HB ARG 35 HB2 ARG 35 22.995 -4.746 11.065
269 1HG ARG 35 HG1 ARG 35 23.375 -6.540 12.550
270 2HG ARG 35 HG2 ARG 35 24.672 -5.670 13.366
271 1HD ARG 35 HD1 ARG 35 22.164 -4.180 13.562
272 2HD ARG 35 HD2 ARG 35 21.923 -5.852 14.104
273 HE ARG 35 HE ARG 35 24.309 -5.083 15.287
274 1HH1 ARG 35 HH1 ARG 35 23.206 -3.409 18.160
275 2HH1 ARG 35 HH1 ARG 35 24.527 -4.215 17.382
276 1HH2 ARG 35 HH2 ARG 35 21.094 -3.200 16.935
277 2HH2 ARG 35 HH2 ARG 35 21.019 -3.905 15.355
278 H TYR 36 H TYR 36 23.581 -6.618 10.178
279 HA TYR 36 HA TYR 36 25.256 -8.893 10.708
280 1HB TYR 36 HB1 TYR 36 23.271 -9.853 10.872
281 2HB TYR 36 HB2 TYR 36 22.498 -8.313 10.634
282 HD1 TYR 36 HD1 TYR 36 22.657 -7.672 7.866
283 HD2 TYR 36 HD2 TYR 36 21.959 -11.502 9.707
284 HE1 TYR 36 HE1 TYR 36 21.365 -8.356 5.892
285 HE2 TYR 36 HE2 TYR 36 20.762 -12.236 7.651
286 HH TYR 36 HH TYR 36 20.758 -10.222 4.688
287 1HN NH2 37 HN1 NH2 237 24.991 -6.693 8.107
288 2HN NH2 37 HN2 NH2 237 25.838 -7.705 6.963
Start of MODEL 15
1 1H TYR 1 HN1 TYR 1 17.169 16.524 5.690
2 2H TYR 1 HN2 TYR 1 15.820 15.555 5.541
3 3H TYR 1 HN3 TYR 1 15.859 17.044 4.817
4 HA TYR 1 HA TYR 1 16.379 17.159 7.562
5 1HB TYR 1 HB1 TYR 1 15.098 18.746 5.472
6 2HB TYR 1 HB2 TYR 1 14.115 18.595 6.945
7 HD1 TYR 1 HD1 TYR 1 15.641 18.740 9.169
8 HD2 TYR 1 HD2 TYR 1 16.482 20.648 5.415
9 HE1 TYR 1 HE1 TYR 1 16.925 20.499 10.364
10 HE2 TYR 1 HE2 TYR 1 17.804 22.368 6.563
11 HH TYR 1 HH TYR 1 18.195 22.290 10.183
12 HA PRO 2 HA PRO 2 12.990 14.089 8.133
13 1HB PRO 2 HB1 PRO 2 13.555 13.530 10.833
14 2HB PRO 2 HB2 PRO 2 14.270 12.744 9.405
15 1HG PRO 2 HG1 PRO 2 15.492 14.718 11.250
16 2HG PRO 2 HG2 PRO 2 16.271 13.542 10.159
17 1HD PRO 2 HD1 PRO 2 15.905 16.359 9.753
18 2HD PRO 2 HD2 PRO 2 16.412 15.148 8.479
19 H SER 3 H SER 3 11.355 15.645 7.912
20 HA SER 3 HA SER 3 10.209 16.625 10.461
21 1HB SER 3 HB1 SER 3 9.791 18.805 9.516
22 2HB SER 3 HB2 SER 3 11.577 18.464 9.694
23 HG SER 3 HG SER 3 11.620 18.056 7.469
24 H LYS 4 H LYS 4 9.604 17.379 7.122
25 HA LYS 4 HA LYS 4 6.964 17.377 7.005
26 1HB LYS 4 HB1 LYS 4 8.443 17.860 5.178
27 2HB LYS 4 HB2 LYS 4 8.601 16.152 4.786
28 1HG LYS 4 HG1 LYS 4 5.829 17.493 5.049
29 2HG LYS 4 HG2 LYS 4 6.751 17.576 3.544
30 1HD LYS 4 HD1 LYS 4 6.992 15.058 3.631
31 2HD LYS 4 HD2 LYS 4 5.722 15.050 4.879
32 1HE LYS 4 HE1 LYS 4 4.112 16.028 3.433
33 2HE LYS 4 HE2 LYS 4 5.299 16.396 2.194
34 1HZ LYS 4 HZ1 LYS 4 5.398 13.671 2.741
35 2HZ LYS 4 HZ2 LYS 4 3.824 14.110 2.424
36 3HZ LYS 4 HZ3 LYS 4 4.997 14.441 1.334
37 HA PRO 5 HA PRO 5 6.504 13.031 8.418
38 1HB PRO 5 HB1 PRO 5 3.900 13.391 9.455
39 2HB PRO 5 HB2 PRO 5 5.457 13.646 10.320
40 1HG PRO 5 HG1 PRO 5 3.534 15.694 9.325
41 2HG PRO 5 HG2 PRO 5 4.821 15.846 10.553
42 1HD PRO 5 HD1 PRO 5 4.791 16.608 7.764
43 2HD PRO 5 HD2 PRO 5 6.168 16.751 8.912
44 H ASP 6 H ASP 6 6.093 11.722 6.724
45 HA ASP 6 HA ASP 6 4.681 12.102 4.476
46 1HB ASP 6 HB1 ASP 6 4.811 9.464 5.973
47 2HB ASP 6 HB2 ASP 6 4.551 9.643 4.303
48 H ASN 7 H ASN 7 2.653 11.187 3.672
49 HA ASN 7 HA ASN 7 0.493 12.096 5.301
50 1HB ASN 7 HB1 ASN 7 0.609 10.298 2.812
51 2HB ASN 7 HB2 ASN 7 -0.948 10.746 3.524
52 1HD2 ASN 7 HD2 ASN 7 -1.194 11.729 1.322
53 2HD2 ASN 7 HD2 ASN 7 -0.691 13.408 1.228
54 HA PRO 8 HA PRO 8 -0.432 8.533 7.694
55 1HB PRO 8 HB1 PRO 8 -3.142 8.779 7.819
56 2HB PRO 8 HB2 PRO 8 -1.911 9.696 8.792
57 1HG PRO 8 HG1 PRO 8 -3.752 10.578 6.639
58 2HG PRO 8 HG2 PRO 8 -2.938 11.533 7.920
59 1HD PRO 8 HD1 PRO 8 -2.193 11.200 5.209
60 2HD PRO 8 HD2 PRO 8 -1.264 12.049 6.504
61 H GLY 9 H GLY 9 -2.398 8.998 4.697
62 1HA GLY 9 HA1 GLY 9 -2.101 7.270 3.030
63 2HA GLY 9 HA2 GLY 9 -2.416 6.067 4.338
64 H GLU 10 H GLU 10 -4.019 7.042 1.735
65 HA GLU 10 HA GLU 10 -6.542 6.555 3.127
66 1HB GLU 10 HB1 GLU 10 -6.098 9.177 3.357
67 2HB GLU 10 HB2 GLU 10 -6.334 9.236 1.610
68 1HG GLU 10 HG1 GLU 10 -8.442 7.662 2.391
69 2HG GLU 10 HG2 GLU 10 -8.233 8.719 3.790
70 H ASP 11 H ASP 11 -6.427 4.652 1.585
71 HA ASP 11 HA ASP 11 -7.358 5.429 -1.159
72 1HB ASP 11 HB1 ASP 11 -4.515 4.580 -0.786
73 2HB ASP 11 HB2 ASP 11 -5.467 4.069 -2.217
74 H ALA 12 H ALA 12 -5.292 2.806 -0.153
75 HA ALA 12 HA ALA 12 -7.693 1.096 0.219
76 1HB ALA 12 HB1 ALA 12 -7.422 0.318 -1.838
77 2HB ALA 12 HB2 ALA 12 -5.755 0.918 -2.027
78 3HB ALA 12 HB3 ALA 12 -6.059 -0.620 -1.192
79 HA PRO 13 HA PRO 13 -5.261 -0.365 3.541
80 1HB PRO 13 HB1 PRO 13 -6.291 -2.986 3.826
81 2HB PRO 13 HB2 PRO 13 -7.032 -1.460 4.386
82 1HG PRO 13 HG1 PRO 13 -7.871 -3.176 2.107
83 2HG PRO 13 HG2 PRO 13 -8.801 -1.961 3.035
84 1HD PRO 13 HD1 PRO 13 -7.558 -1.644 0.480
85 2HD PRO 13 HD2 PRO 13 -8.440 -0.432 1.487
86 H ALA 14 H ALA 14 -3.305 -1.303 3.713
87 HA ALA 14 HA ALA 14 -1.499 -2.725 3.331
88 1HB ALA 14 HB1 ALA 14 -2.361 -4.486 1.275
89 2HB ALA 14 HB2 ALA 14 -1.896 -4.855 2.965
90 3HB ALA 14 HB3 ALA 14 -3.594 -4.502 2.574
91 H GLU 15 H GLU 15 -3.264 -2.225 0.251
92 HA GLU 15 HA GLU 15 -1.085 -1.991 -1.302
93 1HB GLU 15 HB1 GLU 15 -3.812 -1.631 -1.622
94 2HB GLU 15 HB2 GLU 15 -3.271 0.043 -1.769
95 1HG GLU 15 HG1 GLU 15 -1.546 -1.910 -3.338
96 2HG GLU 15 HG2 GLU 15 -3.304 -2.001 -3.600
97 H ASP 16 H ASP 16 -2.468 0.470 0.802
98 HA ASP 16 HA ASP 16 -0.628 2.505 -0.054
99 1HB ASP 16 HB1 ASP 16 -2.989 2.673 1.255
100 2HB ASP 16 HB2 ASP 16 -1.935 2.547 2.667
101 H LEU 17 H LEU 17 -0.633 0.007 2.286
102 HA LEU 17 HA LEU 17 1.532 1.095 3.894
103 1HB LEU 17 HB1 LEU 17 0.673 -1.822 3.772
104 2HB LEU 17 HB2 LEU 17 1.469 -1.028 5.097
105 HG LEU 17 HG LEU 17 -1.356 -0.309 4.189
106 1HD1 LEU 17 HD1 LEU 17 -0.698 -2.722 5.364
107 2HD1 LEU 17 HD1 LEU 17 -1.040 -1.748 6.779
108 3HD1 LEU 17 HD1 LEU 17 -2.255 -1.871 5.499
109 1HD2 LEU 17 HD2 LEU 17 0.510 0.655 6.291
110 2HD2 LEU 17 HD2 LEU 17 -0.748 1.557 5.465
111 3HD2 LEU 17 HD2 LEU 17 -1.164 0.481 6.814
112 H ALA 18 H ALA 18 1.140 -1.016 1.096
113 HA ALA 18 HA ALA 18 3.717 -2.238 0.964
114 1HB ALA 18 HB1 ALA 18 2.631 -1.548 -1.662
115 2HB ALA 18 HB2 ALA 18 2.817 -3.128 -0.852
116 3HB ALA 18 HB3 ALA 18 1.358 -2.199 -0.616
117 H ARG 19 H ARG 19 2.656 1.063 0.464
118 HA ARG 19 HA ARG 19 4.868 1.943 -1.107
119 1HB ARG 19 HB1 ARG 19 3.015 3.094 -1.040
120 2HB ARG 19 HB2 ARG 19 2.948 3.385 0.719
121 1HG ARG 19 HG1 ARG 19 5.333 4.318 -0.771
122 2HG ARG 19 HG2 ARG 19 3.717 5.142 -0.899
123 1HD ARG 19 HD1 ARG 19 4.330 4.705 1.902
124 2HD ARG 19 HD2 ARG 19 5.726 5.502 1.073
125 HE ARG 19 HE ARG 19 2.929 6.419 0.668
126 1HH1 ARG 19 HH1 ARG 19 3.589 9.386 2.531
127 2HH1 ARG 19 HH1 ARG 19 2.435 8.607 1.465
128 1HH2 ARG 19 HH2 ARG 19 5.526 8.296 3.266
129 2HH2 ARG 19 HH2 ARG 19 5.773 6.673 2.734
130 H TYR 20 H TYR 20 4.057 2.320 2.367
131 HA TYR 20 HA TYR 20 6.679 3.367 3.031
132 1HB TYR 20 HB1 TYR 20 5.692 3.791 5.029
133 2HB TYR 20 HB2 TYR 20 4.254 3.108 4.272
134 HD1 TYR 20 HD1 TYR 20 3.288 1.097 4.821
135 HD2 TYR 20 HD2 TYR 20 6.974 2.325 6.553
136 HE1 TYR 20 HE1 TYR 20 3.163 -0.860 6.343
137 HE2 TYR 20 HE2 TYR 20 6.702 0.577 8.277
138 HH TYR 20 HH TYR 20 3.937 -1.227 8.579
139 H TYR 21 H TYR 21 5.576 0.213 2.338
140 HA TYR 21 HA TYR 21 7.357 -1.231 4.055
141 1HB TYR 21 HB1 TYR 21 5.108 -1.735 2.443
142 2HB TYR 21 HB2 TYR 21 6.357 -2.580 1.567
143 HD1 TYR 21 HD1 TYR 21 4.375 -2.243 4.707
144 HD2 TYR 21 HD2 TYR 21 7.408 -4.464 2.649
145 HE1 TYR 21 HE1 TYR 21 4.101 -4.084 6.326
146 HE2 TYR 21 HE2 TYR 21 7.096 -6.351 4.221
147 HH TYR 21 HH TYR 21 6.280 -6.896 6.368
148 H SER 22 H SER 22 7.314 -0.274 0.550
149 HA SER 22 HA SER 22 9.491 -1.659 -0.258
150 1HB SER 22 HB1 SER 22 7.892 0.554 -1.141
151 2HB SER 22 HB2 SER 22 9.600 0.921 -1.596
152 HG SER 22 HG SER 22 9.583 -0.940 -2.799
153 H ALA 23 H ALA 23 9.316 1.537 1.142
154 HA ALA 23 HA ALA 23 12.175 2.112 0.986
155 1HB ALA 23 HB1 ALA 23 10.743 3.494 3.172
156 2HB ALA 23 HB2 ALA 23 11.568 4.150 1.739
157 3HB ALA 23 HB3 ALA 23 9.879 3.566 1.635
158 H LEU 24 H LEU 24 9.975 0.652 3.369
159 HA LEU 24 HA LEU 24 11.999 0.462 5.365
160 1HB LEU 24 HB1 LEU 24 9.205 -0.625 4.924
161 2HB LEU 24 HB2 LEU 24 10.203 -1.672 5.881
162 HG LEU 24 HG LEU 24 9.123 1.081 6.501
163 1HD1 LEU 24 HD1 LEU 24 9.530 -1.546 8.029
164 2HD1 LEU 24 HD1 LEU 24 8.742 -0.094 8.675
165 3HD1 LEU 24 HD1 LEU 24 8.051 -1.027 7.275
166 1HD2 LEU 24 HD2 LEU 24 10.737 1.022 8.556
167 2HD2 LEU 24 HD2 LEU 24 11.734 0.012 7.492
168 3HD2 LEU 24 HD2 LEU 24 11.272 1.680 7.008
169 H ARG 25 H ARG 25 11.126 -1.549 2.664
170 HA ARG 25 HA ARG 25 12.636 -3.785 3.488
171 1HB ARG 25 HB1 ARG 25 11.284 -4.215 1.675
172 2HB ARG 25 HB2 ARG 25 11.658 -2.744 0.838
173 1HG ARG 25 HG1 ARG 25 13.606 -3.366 -0.083
174 2HG ARG 25 HG2 ARG 25 13.936 -4.694 1.076
175 1HD ARG 25 HD1 ARG 25 12.490 -6.171 0.136
176 2HD ARG 25 HD2 ARG 25 11.648 -4.909 -0.805
177 HE ARG 25 HE ARG 25 14.367 -4.959 -1.567
178 1HH1 ARG 25 HH1 ARG 25 13.705 -6.852 -4.437
179 2HH1 ARG 25 HH1 ARG 25 14.895 -5.924 -3.603
180 1HH2 ARG 25 HH2 ARG 25 11.618 -7.203 -3.499
181 2HH2 ARG 25 HH2 ARG 25 11.249 -6.567 -1.966
182 H HIS 26 H HIS 26 13.494 -0.864 1.662
183 HA HIS 26 HA HIS 26 16.294 -1.624 1.122
184 1HB HIS 26 HB1 HIS 26 14.853 0.301 -0.036
185 2HB HIS 26 HB2 HIS 26 15.118 1.183 1.460
186 HD1 HIS 26 HD1 HIS 26 17.523 -0.801 -0.808
187 HD2 HIS 26 HD2 HIS 26 17.105 2.884 1.166
188 HE1 HIS 26 HE1 HIS 26 19.657 0.505 -1.239
189 H TYR 27 H TYR 27 14.967 0.695 3.553
190 HA TYR 27 HA TYR 27 17.399 1.036 4.981
191 1HB TYR 27 HB1 TYR 27 14.509 0.947 5.577
192 2HB TYR 27 HB2 TYR 27 15.542 0.597 6.971
193 HD1 TYR 27 HD1 TYR 27 14.136 3.200 4.967
194 HD2 TYR 27 HD2 TYR 27 17.484 2.215 7.490
195 HE1 TYR 27 HE1 TYR 27 14.516 5.573 5.378
196 HE2 TYR 27 HE2 TYR 27 18.048 4.627 7.683
197 HH TYR 27 HH TYR 27 16.371 7.135 6.111
198 H ILE 28 H ILE 28 15.091 -1.654 5.377
199 HA ILE 28 HA ILE 28 16.401 -3.062 7.341
200 HB ILE 28 HB ILE 28 14.950 -3.999 4.968
201 1HG1 ILE 28 1HG1 ILE 28 14.300 -4.246 7.915
202 2HG1 ILE 28 2HG1 ILE 28 13.920 -2.794 7.047
203 1HG2 ILE 28 1HG2 ILE 28 14.934 -6.302 6.118
204 2HG2 ILE 28 2HG2 ILE 28 16.433 -5.781 5.318
205 3HG2 ILE 28 3HG2 ILE 28 16.314 -5.735 7.079
206 1HD1 ILE 28 1HD1 ILE 28 12.112 -3.736 6.034
207 2HD1 ILE 28 2HD1 ILE 28 13.042 -5.143 5.490
208 3HD1 ILE 28 3HD1 ILE 28 12.332 -5.110 7.125
209 H ASN 29 H ASN 29 17.523 -2.697 4.073
210 HA ASN 29 HA ASN 29 19.653 -4.728 3.978
211 1HB ASN 29 HB1 ASN 29 18.890 -3.518 1.934
212 2HB ASN 29 HB2 ASN 29 19.370 -2.000 2.648
213 1HD2 ASN 29 HD2 ASN 29 20.718 -1.260 1.075
214 2HD2 ASN 29 HD2 ASN 29 22.351 -1.928 1.094
215 H LEU 30 H LEU 30 19.727 -1.212 4.808
216 HA LEU 30 HA LEU 30 22.530 -1.430 5.679
217 1HB LEU 30 HB1 LEU 30 22.537 0.975 6.015
218 2HB LEU 30 HB2 LEU 30 22.043 0.460 4.407
219 HG LEU 30 HG LEU 30 19.604 0.717 5.441
220 1HD1 LEU 30 HD1 LEU 30 21.342 2.407 7.276
221 2HD1 LEU 30 HD1 LEU 30 19.657 2.840 6.941
222 3HD1 LEU 30 HD1 LEU 30 20.020 1.338 7.749
223 1HD2 LEU 30 HD2 LEU 30 19.299 2.620 4.297
224 2HD2 LEU 30 HD2 LEU 30 20.872 3.306 4.781
225 3HD2 LEU 30 HD2 LEU 30 20.771 2.023 3.542
226 H ILE 31 H ILE 31 19.384 -0.813 7.068
227 HA ILE 31 HA ILE 31 20.025 -0.407 9.694
228 HB ILE 31 HB ILE 31 17.660 -0.917 8.179
229 1HG1 ILE 31 1HG1 ILE 31 18.156 0.764 10.066
230 2HG1 ILE 31 2HG1 ILE 31 16.495 0.182 9.712
231 1HG2 ILE 31 1HG2 ILE 31 17.867 -3.301 8.777
232 2HG2 ILE 31 2HG2 ILE 31 17.855 -2.939 10.475
233 3HG2 ILE 31 3HG2 ILE 31 16.432 -2.515 9.465
234 1HD1 ILE 31 1HD1 ILE 31 17.134 0.172 12.194
235 2HD1 ILE 31 2HD1 ILE 31 16.689 -1.422 11.596
236 3HD1 ILE 31 3HD1 ILE 31 18.435 -0.920 11.689
237 H THR 32 H THR 32 19.971 -3.471 7.814
238 HA THR 32 HA THR 32 20.519 -4.937 10.232
239 HB THR 32 HB THR 32 21.046 -6.820 8.545
240 HG1 THR 32 HG1 THR 32 21.589 -5.236 6.834
241 1HG2 THR 32 1HG2 THR 32 18.398 -5.387 8.793
242 2HG2 THR 32 2HG2 THR 32 18.576 -6.527 7.431
243 3HG2 THR 32 3HG2 THR 32 18.744 -7.110 9.054
244 H ARG 33 H ARG 33 22.390 -3.522 7.660
245 HA ARG 33 HA ARG 33 24.840 -4.611 7.857
246 1HB ARG 33 HB1 ARG 33 23.931 -2.360 6.815
247 2HB ARG 33 HB2 ARG 33 25.172 -1.734 7.994
248 1HG ARG 33 HG1 ARG 33 26.614 -3.549 6.885
249 2HG ARG 33 HG2 ARG 33 25.343 -3.677 5.621
250 1HD ARG 33 HD1 ARG 33 25.835 -1.710 4.685
251 2HD ARG 33 HD2 ARG 33 26.202 -0.907 6.214
252 HE ARG 33 HE ARG 33 28.282 -2.671 5.957
253 1HH1 ARG 33 HH1 ARG 33 30.437 -1.117 3.620
254 2HH1 ARG 33 HH1 ARG 33 30.337 -2.276 4.869
255 1HH2 ARG 33 HH2 ARG 33 28.451 0.098 2.955
256 2HH2 ARG 33 HH2 ARG 33 26.974 -0.189 3.735
257 H GLN 34 H GLN 34 23.434 -2.220 10.042
258 HA GLN 34 HA GLN 34 25.717 -2.117 11.846
259 1HB GLN 34 HB1 GLN 34 24.277 -0.749 13.268
260 2HB GLN 34 HB2 GLN 34 24.448 -0.087 11.608
261 1HG GLN 34 HG1 GLN 34 22.294 -0.716 10.948
262 2HG GLN 34 HG2 GLN 34 22.090 -1.795 12.349
263 1HE2 GLN 34 1HE2 GLN 34 20.571 0.627 11.314
264 2HE2 GLN 34 2HE2 GLN 34 20.292 1.544 12.802
265 H ARG 35 H ARG 35 22.558 -3.787 11.749
266 HA ARG 35 HA ARG 35 23.266 -5.995 13.237
267 1HB ARG 35 HB1 ARG 35 22.012 -5.448 15.406
268 2HB ARG 35 HB2 ARG 35 23.592 -4.708 15.253
269 1HG ARG 35 HG1 ARG 35 22.703 -2.661 15.638
270 2HG ARG 35 HG2 ARG 35 21.784 -2.756 14.161
271 1HD ARG 35 HD1 ARG 35 20.015 -2.549 15.311
272 2HD ARG 35 HD2 ARG 35 20.048 -4.252 15.450
273 HE ARG 35 HE ARG 35 20.627 -4.172 17.642
274 1HH1 ARG 35 HH1 ARG 35 21.253 -1.329 19.704
275 2HH1 ARG 35 HH1 ARG 35 20.946 -3.031 19.683
276 1HH2 ARG 35 HH2 ARG 35 21.221 -0.110 17.676
277 2HH2 ARG 35 HH2 ARG 35 21.017 -0.961 16.181
278 H TYR 36 H TYR 36 21.861 -7.045 11.882
279 HA TYR 36 HA TYR 36 19.369 -6.562 10.931
280 1HB TYR 36 HB1 TYR 36 19.806 -8.724 10.549
281 2HB TYR 36 HB2 TYR 36 20.732 -8.906 12.020
282 HD1 TYR 36 HD1 TYR 36 17.153 -8.575 10.973
283 HD2 TYR 36 HD2 TYR 36 19.965 -10.157 13.801
284 HE1 TYR 36 HE1 TYR 36 15.385 -9.924 11.989
285 HE2 TYR 36 HE2 TYR 36 18.195 -11.466 14.845
286 HH TYR 36 HH TYR 36 15.764 -11.562 15.023
287 1HN NH2 37 HN1 NH2 237 19.804 -7.362 14.251
288 2HN NH2 37 HN2 NH2 237 18.204 -6.728 14.782
Start of MODEL 16
1 1H TYR 1 HN1 TYR 1 -24.102 7.278 -4.155
2 2H TYR 1 HN2 TYR 1 -24.227 5.950 -3.197
3 3H TYR 1 HN3 TYR 1 -25.465 7.026 -3.237
4 HA TYR 1 HA TYR 1 -23.147 8.350 -2.478
5 1HB TYR 1 HB1 TYR 1 -25.494 7.351 -0.822
6 2HB TYR 1 HB2 TYR 1 -24.227 8.269 -0.107
7 HD1 TYR 1 HD1 TYR 1 -27.244 8.426 -2.037
8 HD2 TYR 1 HD2 TYR 1 -23.677 10.605 -0.944
9 HE1 TYR 1 HE1 TYR 1 -28.372 10.547 -2.562
10 HE2 TYR 1 HE2 TYR 1 -24.835 12.735 -1.432
11 HH TYR 1 HH TYR 1 -27.193 13.668 -1.666
12 HA PRO 2 HA PRO 2 -20.662 4.978 -0.810
13 1HB PRO 2 HB1 PRO 2 -19.268 6.195 1.247
14 2HB PRO 2 HB2 PRO 2 -18.946 6.402 -0.487
15 1HG PRO 2 HG1 PRO 2 -20.190 8.402 1.318
16 2HG PRO 2 HG2 PRO 2 -19.257 8.629 -0.175
17 1HD PRO 2 HD1 PRO 2 -22.097 8.569 0.169
18 2HD PRO 2 HD2 PRO 2 -21.211 8.728 -1.376
19 H SER 3 H SER 3 -21.735 7.015 1.996
20 HA SER 3 HA SER 3 -22.503 6.513 4.050
21 1HB SER 3 HB1 SER 3 -24.671 5.048 4.002
22 2HB SER 3 HB2 SER 3 -24.589 6.678 3.366
23 HG SER 3 HG SER 3 -23.957 4.658 1.566
24 H LYS 4 H LYS 4 -20.512 5.523 4.749
25 HA LYS 4 HA LYS 4 -20.906 2.787 5.643
26 1HB LYS 4 HB1 LYS 4 -19.355 3.443 3.242
27 2HB LYS 4 HB2 LYS 4 -18.273 2.783 4.466
28 1HG LYS 4 HG1 LYS 4 -19.452 0.754 4.624
29 2HG LYS 4 HG2 LYS 4 -20.904 1.384 3.830
30 1HD LYS 4 HD1 LYS 4 -18.294 1.058 2.343
31 2HD LYS 4 HD2 LYS 4 -19.376 -0.288 2.584
32 1HE LYS 4 HE1 LYS 4 -21.111 0.809 1.332
33 2HE LYS 4 HE2 LYS 4 -20.207 2.334 1.286
34 1HZ LYS 4 HZ1 LYS 4 -18.993 -0.004 -0.044
35 2HZ LYS 4 HZ2 LYS 4 -20.176 0.799 -0.773
36 3HZ LYS 4 HZ3 LYS 4 -18.828 1.574 -0.353
37 HA PRO 5 HA PRO 5 -18.553 4.332 9.017
38 1HB PRO 5 HB1 PRO 5 -17.356 2.044 10.079
39 2HB PRO 5 HB2 PRO 5 -19.018 2.551 10.291
40 1HG PRO 5 HG1 PRO 5 -18.097 0.319 8.643
41 2HG PRO 5 HG2 PRO 5 -19.679 0.642 9.356
42 1HD PRO 5 HD1 PRO 5 -18.836 1.118 6.667
43 2HD PRO 5 HD2 PRO 5 -20.431 1.520 7.387
44 H ASP 6 H ASP 6 -16.350 1.771 7.793
45 HA ASP 6 HA ASP 6 -14.373 3.349 6.456
46 1HB ASP 6 HB1 ASP 6 -13.840 3.990 8.798
47 2HB ASP 6 HB2 ASP 6 -13.843 2.283 9.270
48 H ASN 7 H ASN 7 -13.168 1.786 5.254
49 HA ASN 7 HA ASN 7 -12.681 -0.827 5.973
50 1HB ASN 7 HB1 ASN 7 -15.380 -0.676 4.875
51 2HB ASN 7 HB2 ASN 7 -14.364 -1.470 3.714
52 1HD2 ASN 7 HD2 ASN 7 -12.789 -3.248 4.782
53 2HD2 ASN 7 HD2 ASN 7 -13.577 -4.265 5.967
54 HA PRO 8 HA PRO 8 -10.308 0.934 2.426
55 1HB PRO 8 HB1 PRO 8 -7.806 0.021 3.118
56 2HB PRO 8 HB2 PRO 8 -8.525 1.542 3.648
57 1HG PRO 8 HG1 PRO 8 -8.143 -0.951 5.240
58 2HG PRO 8 HG2 PRO 8 -8.304 0.732 5.785
59 1HD PRO 8 HD1 PRO 8 -10.338 -1.267 5.821
60 2HD PRO 8 HD2 PRO 8 -10.554 0.482 6.142
61 H GLY 9 H GLY 9 -10.878 -0.334 0.657
62 1HA GLY 9 HA1 GLY 9 -9.443 -2.671 -0.017
63 2HA GLY 9 HA2 GLY 9 -11.033 -3.139 0.591
64 H GLU 10 H GLU 10 -9.224 -2.026 -2.061
65 HA GLU 10 HA GLU 10 -11.240 -2.251 -4.010
66 1HB GLU 10 HB1 GLU 10 -11.030 0.372 -2.619
67 2HB GLU 10 HB2 GLU 10 -10.685 0.532 -4.350
68 1HG GLU 10 HG1 GLU 10 -12.749 -0.011 -5.004
69 2HG GLU 10 HG2 GLU 10 -13.104 -1.058 -3.645
70 H ASP 11 H ASP 11 -9.700 -3.301 -5.141
71 HA ASP 11 HA ASP 11 -7.873 -3.858 -6.174
72 1HB ASP 11 HB1 ASP 11 -8.335 -1.013 -6.943
73 2HB ASP 11 HB2 ASP 11 -6.712 -1.641 -7.310
74 H ALA 12 H ALA 12 -6.681 -4.696 -4.803
75 HA ALA 12 HA ALA 12 -4.829 -5.172 -3.564
76 1HB ALA 12 HB1 ALA 12 -3.597 -4.363 -5.463
77 2HB ALA 12 HB2 ALA 12 -3.762 -2.681 -4.934
78 3HB ALA 12 HB3 ALA 12 -2.823 -3.781 -3.951
79 HA PRO 13 HA PRO 13 -6.453 -2.187 -0.495
80 1HB PRO 13 HB1 PRO 13 -6.362 -3.934 1.678
81 2HB PRO 13 HB2 PRO 13 -7.758 -3.616 0.675
82 1HG PRO 13 HG1 PRO 13 -6.147 -6.079 0.682
83 2HG PRO 13 HG2 PRO 13 -7.750 -5.721 -0.031
84 1HD PRO 13 HD1 PRO 13 -5.196 -5.841 -1.395
85 2HD PRO 13 HD2 PRO 13 -6.800 -5.565 -2.125
86 H ALA 14 H ALA 14 -5.173 -1.064 0.889
87 HA ALA 14 HA ALA 14 -3.359 -0.402 2.035
88 1HB ALA 14 HB1 ALA 14 -2.073 -3.108 2.137
89 2HB ALA 14 HB2 ALA 14 -2.144 -1.815 3.329
90 3HB ALA 14 HB3 ALA 14 -3.530 -2.859 3.102
91 H GLU 15 H GLU 15 -3.396 -0.961 -1.079
92 HA GLU 15 HA GLU 15 -0.933 -1.364 -2.047
93 1HB GLU 15 HB1 GLU 15 -3.239 -0.269 -3.148
94 2HB GLU 15 HB2 GLU 15 -2.162 1.105 -3.231
95 1HG GLU 15 HG1 GLU 15 -0.438 -0.675 -4.172
96 2HG GLU 15 HG2 GLU 15 -1.863 -1.685 -4.394
97 H ASP 16 H ASP 16 -2.017 1.564 -0.447
98 HA ASP 16 HA ASP 16 0.297 3.154 -0.701
99 1HB ASP 16 HB1 ASP 16 -2.327 3.463 0.403
100 2HB ASP 16 HB2 ASP 16 -1.289 3.578 1.815
101 H LEU 17 H LEU 17 -0.725 1.089 1.903
102 HA LEU 17 HA LEU 17 1.510 1.615 3.626
103 1HB LEU 17 HB1 LEU 17 0.295 0.502 5.063
104 2HB LEU 17 HB2 LEU 17 -0.894 0.159 3.798
105 HG LEU 17 HG LEU 17 0.225 -1.968 3.335
106 1HD1 LEU 17 HD1 LEU 17 2.407 -2.137 3.901
107 2HD1 LEU 17 HD1 LEU 17 2.323 -0.741 4.999
108 3HD1 LEU 17 HD1 LEU 17 1.905 -2.361 5.581
109 1HD2 LEU 17 HD2 LEU 17 -0.098 -2.192 6.314
110 2HD2 LEU 17 HD2 LEU 17 -1.384 -1.332 5.488
111 3HD2 LEU 17 HD2 LEU 17 -0.983 -2.972 5.021
112 H ALA 18 H ALA 18 0.885 -0.664 1.048
113 HA ALA 18 HA ALA 18 3.241 -2.264 1.222
114 1HB ALA 18 HB1 ALA 18 1.400 -3.117 0.020
115 2HB ALA 18 HB2 ALA 18 1.316 -1.689 -1.024
116 3HB ALA 18 HB3 ALA 18 2.683 -2.792 -1.163
117 H ARG 19 H ARG 19 2.709 0.977 0.033
118 HA ARG 19 HA ARG 19 5.019 1.178 -1.651
119 1HB ARG 19 HB1 ARG 19 2.751 2.689 -1.266
120 2HB ARG 19 HB2 ARG 19 3.869 3.592 -0.247
121 1HG ARG 19 HG1 ARG 19 3.859 4.479 -2.470
122 2HG ARG 19 HG2 ARG 19 5.438 3.702 -2.231
123 1HD ARG 19 HD1 ARG 19 3.172 1.965 -3.277
124 2HD ARG 19 HD2 ARG 19 3.642 3.301 -4.335
125 HE ARG 19 HE ARG 19 6.050 2.207 -3.835
126 1HH1 ARG 19 HH1 ARG 19 6.057 0.275 -6.677
127 2HH1 ARG 19 HH1 ARG 19 6.980 0.945 -5.351
128 1HH2 ARG 19 HH2 ARG 19 3.650 0.311 -6.524
129 2HH2 ARG 19 HH2 ARG 19 2.972 1.271 -5.270
130 H TYR 20 H TYR 20 4.226 2.059 1.697
131 HA TYR 20 HA TYR 20 6.779 3.134 2.382
132 1HB TYR 20 HB1 TYR 20 4.886 1.755 4.320
133 2HB TYR 20 HB2 TYR 20 6.005 3.074 4.637
134 HD1 TYR 20 HD1 TYR 20 2.979 2.941 5.246
135 HD2 TYR 20 HD2 TYR 20 5.186 4.688 2.008
136 HE1 TYR 20 HE1 TYR 20 1.087 4.479 4.757
137 HE2 TYR 20 HE2 TYR 20 3.314 6.219 1.593
138 HH TYR 20 HH TYR 20 0.639 6.122 1.921
139 H TYR 21 H TYR 21 5.584 -0.048 2.092
140 HA TYR 21 HA TYR 21 7.544 -1.435 3.664
141 1HB TYR 21 HB1 TYR 21 5.334 -2.251 2.289
142 2HB TYR 21 HB2 TYR 21 6.528 -2.654 1.057
143 HD1 TYR 21 HD1 TYR 21 6.917 -5.028 1.198
144 HD2 TYR 21 HD2 TYR 21 6.064 -2.757 4.746
145 HE1 TYR 21 HE1 TYR 21 7.171 -7.068 2.584
146 HE2 TYR 21 HE2 TYR 21 6.058 -4.841 6.061
147 HH TYR 21 HH TYR 21 6.755 -6.978 6.095
148 H SER 22 H SER 22 7.707 -0.282 0.236
149 HA SER 22 HA SER 22 9.967 -1.670 -0.323
150 1HB SER 22 HB1 SER 22 10.267 -0.404 -2.246
151 2HB SER 22 HB2 SER 22 8.521 -0.411 -1.963
152 HG SER 22 HG SER 22 9.506 1.800 -0.802
153 H ALA 23 H ALA 23 9.555 1.435 1.159
154 HA ALA 23 HA ALA 23 12.390 2.221 1.230
155 1HB ALA 23 HB1 ALA 23 11.279 4.170 1.561
156 2HB ALA 23 HB2 ALA 23 9.792 3.361 2.094
157 3HB ALA 23 HB3 ALA 23 11.107 3.632 3.239
158 H LEU 24 H LEU 24 10.016 0.785 3.494
159 HA LEU 24 HA LEU 24 11.863 0.335 5.503
160 1HB LEU 24 HB1 LEU 24 9.229 -0.750 4.736
161 2HB LEU 24 HB2 LEU 24 10.241 -1.972 5.549
162 HG LEU 24 HG LEU 24 9.317 0.695 6.616
163 1HD1 LEU 24 HD1 LEU 24 8.182 -0.688 8.211
164 2HD1 LEU 24 HD1 LEU 24 8.030 -1.623 6.707
165 3HD1 LEU 24 HD1 LEU 24 9.251 -2.070 7.902
166 1HD2 LEU 24 HD2 LEU 24 10.600 -0.229 8.717
167 2HD2 LEU 24 HD2 LEU 24 11.572 -1.072 7.475
168 3HD2 LEU 24 HD2 LEU 24 11.482 0.710 7.502
169 H ARG 25 H ARG 25 11.250 -1.717 2.675
170 HA ARG 25 HA ARG 25 12.979 -3.841 3.430
171 1HB ARG 25 HB1 ARG 25 11.731 -4.281 1.511
172 2HB ARG 25 HB2 ARG 25 12.080 -2.751 0.744
173 1HG ARG 25 HG1 ARG 25 14.303 -3.358 0.195
174 2HG ARG 25 HG2 ARG 25 14.257 -4.779 1.258
175 1HD ARG 25 HD1 ARG 25 12.437 -5.709 -0.276
176 2HD ARG 25 HD2 ARG 25 12.781 -4.350 -1.368
177 HE ARG 25 HE ARG 25 15.174 -5.819 -0.566
178 1HH1 ARG 25 HH1 ARG 25 15.378 -7.873 -3.413
179 2HH1 ARG 25 HH1 ARG 25 16.198 -7.287 -2.003
180 1HH2 ARG 25 HH2 ARG 25 13.083 -7.152 -3.807
181 2HH2 ARG 25 HH2 ARG 25 12.375 -6.083 -2.642
182 H HIS 26 H HIS 26 13.684 -0.719 1.785
183 HA HIS 26 HA HIS 26 16.433 -1.310 1.329
184 1HB HIS 26 HB1 HIS 26 15.122 0.563 0.204
185 2HB HIS 26 HB2 HIS 26 15.278 1.473 1.693
186 HD1 HIS 26 HD1 HIS 26 17.923 -0.482 -0.420
187 HD2 HIS 26 HD2 HIS 26 17.202 3.188 1.510
188 HE1 HIS 26 HE1 HIS 26 19.999 0.955 -0.774
189 H TYR 27 H TYR 27 14.791 0.535 3.875
190 HA TYR 27 HA TYR 27 17.054 1.078 5.562
191 1HB TYR 27 HB1 TYR 27 14.095 1.081 5.974
192 2HB TYR 27 HB2 TYR 27 15.054 0.692 7.370
193 HD1 TYR 27 HD1 TYR 27 14.116 3.357 5.149
194 HD2 TYR 27 HD2 TYR 27 17.002 2.112 8.077
195 HE1 TYR 27 HE1 TYR 27 14.569 5.736 5.709
196 HE2 TYR 27 HE2 TYR 27 17.457 4.485 8.665
197 HH TYR 27 HH TYR 27 16.027 6.826 8.459
198 H ILE 28 H ILE 28 14.776 -1.597 5.992
199 HA ILE 28 HA ILE 28 16.153 -2.884 7.927
200 HB ILE 28 HB ILE 28 14.439 -4.042 5.760
201 1HG1 ILE 28 1HG1 ILE 28 13.903 -3.659 8.724
202 2HG1 ILE 28 2HG1 ILE 28 13.600 -2.364 7.579
203 1HG2 ILE 28 1HG2 ILE 28 15.890 -5.884 6.668
204 2HG2 ILE 28 2HG2 ILE 28 15.395 -5.432 8.299
205 3HG2 ILE 28 3HG2 ILE 28 14.230 -6.081 7.151
206 1HD1 ILE 28 1HD1 ILE 28 12.013 -3.718 6.351
207 2HD1 ILE 28 2HD1 ILE 28 12.260 -5.079 7.462
208 3HD1 ILE 28 3HD1 ILE 28 11.554 -3.580 8.054
209 H ASN 29 H ASN 29 16.866 -2.843 4.481
210 HA ASN 29 HA ASN 29 18.808 -4.953 4.488
211 1HB ASN 29 HB1 ASN 29 17.436 -3.433 2.488
212 2HB ASN 29 HB2 ASN 29 19.120 -3.119 2.244
213 1HD2 ASN 29 HD2 ASN 29 19.025 -4.182 0.153
214 2HD2 ASN 29 HD2 ASN 29 18.904 -5.942 0.071
215 H LEU 30 H LEU 30 18.914 -1.422 4.781
216 HA LEU 30 HA LEU 30 21.779 -1.250 4.571
217 1HB LEU 30 HB1 LEU 30 21.717 0.942 4.351
218 2HB LEU 30 HB2 LEU 30 20.124 0.492 3.741
219 HG LEU 30 HG LEU 30 19.240 1.015 6.093
220 1HD1 LEU 30 HD1 LEU 30 20.616 1.728 7.752
221 2HD1 LEU 30 HD1 LEU 30 22.028 1.549 6.709
222 3HD1 LEU 30 HD1 LEU 30 21.151 3.060 6.762
223 1HD2 LEU 30 HD2 LEU 30 20.347 3.388 4.615
224 2HD2 LEU 30 HD2 LEU 30 18.936 2.446 4.100
225 3HD2 LEU 30 HD2 LEU 30 18.919 3.274 5.659
226 H ILE 31 H ILE 31 19.414 -0.780 7.103
227 HA ILE 31 HA ILE 31 20.963 -0.222 9.300
228 HB ILE 31 HB ILE 31 18.343 -0.566 8.709
229 1HG1 ILE 31 1HG1 ILE 31 19.511 0.684 10.646
230 2HG1 ILE 31 2HG1 ILE 31 17.782 0.298 10.664
231 1HG2 ILE 31 1HG2 ILE 31 17.297 -2.309 10.146
232 2HG2 ILE 31 2HG2 ILE 31 18.220 -2.966 8.812
233 3HG2 ILE 31 3HG2 ILE 31 18.875 -3.057 10.444
234 1HD1 ILE 31 1HD1 ILE 31 19.099 -0.118 12.832
235 2HD1 ILE 31 2HD1 ILE 31 18.023 -1.411 12.275
236 3HD1 ILE 31 3HD1 ILE 31 19.769 -1.543 11.994
237 H THR 32 H THR 32 19.970 -3.411 7.998
238 HA THR 32 HA THR 32 21.544 -4.963 9.697
239 HB THR 32 HB THR 32 19.846 -6.024 8.451
240 HG1 THR 32 HG1 THR 32 21.143 -7.848 7.817
241 1HG2 THR 32 1HG2 THR 32 21.581 -5.899 5.915
242 2HG2 THR 32 2HG2 THR 32 19.930 -6.581 6.140
243 3HG2 THR 32 3HG2 THR 32 20.199 -4.847 6.291
244 H ARG 33 H ARG 33 22.380 -3.562 6.527
245 HA ARG 33 HA ARG 33 24.729 -4.758 5.945
246 1HB ARG 33 HB1 ARG 33 23.468 -2.453 5.216
247 2HB ARG 33 HB2 ARG 33 25.017 -1.834 5.687
248 1HG ARG 33 HG1 ARG 33 25.492 -2.250 3.530
249 2HG ARG 33 HG2 ARG 33 25.792 -3.912 4.071
250 1HD ARG 33 HD1 ARG 33 23.698 -4.676 3.227
251 2HD ARG 33 HD2 ARG 33 22.930 -3.131 3.327
252 HE ARG 33 HE ARG 33 24.484 -4.054 1.103
253 1HH1 ARG 33 HH1 ARG 33 24.078 -0.997 -0.609
254 2HH1 ARG 33 HH1 ARG 33 24.611 -2.642 -0.702
255 1HH2 ARG 33 HH2 ARG 33 23.200 -0.176 1.485
256 2HH2 ARG 33 HH2 ARG 33 23.219 -1.248 2.845
257 H GLN 34 H GLN 34 24.356 -2.051 8.249
258 HA GLN 34 HA GLN 34 27.050 -2.365 9.349
259 1HB GLN 34 HB1 GLN 34 24.729 -0.461 9.855
260 2HB GLN 34 HB2 GLN 34 26.120 -0.571 10.935
261 1HG GLN 34 HG1 GLN 34 27.360 -0.404 8.423
262 2HG GLN 34 HG2 GLN 34 25.947 0.630 8.223
263 1HE2 GLN 34 1HE2 GLN 34 28.475 -0.119 10.731
264 2HE2 GLN 34 2HE2 GLN 34 28.744 1.567 11.154
265 H ARG 35 H ARG 35 23.747 -3.261 10.294
266 HA ARG 35 HA ARG 35 24.608 -4.290 12.895
267 1HB ARG 35 HB1 ARG 35 21.893 -4.016 11.626
268 2HB ARG 35 HB2 ARG 35 22.213 -5.270 12.817
269 1HG ARG 35 HG1 ARG 35 21.270 -3.451 13.959
270 2HG ARG 35 HG2 ARG 35 22.962 -3.642 14.452
271 1HD ARG 35 HD1 ARG 35 23.271 -1.807 12.425
272 2HD ARG 35 HD2 ARG 35 21.657 -1.376 12.917
273 HE ARG 35 HE ARG 35 24.141 -0.917 14.282
274 1HH1 ARG 35 HH1 ARG 35 22.720 0.143 17.320
275 2HH1 ARG 35 HH1 ARG 35 24.151 0.054 16.352
276 1HH2 ARG 35 HH2 ARG 35 20.650 -0.826 16.412
277 2HH2 ARG 35 HH2 ARG 35 20.760 -1.571 14.844
278 H TYR 36 H TYR 36 22.648 -6.365 10.571
279 HA TYR 36 HA TYR 36 24.507 -8.528 11.241
280 1HB TYR 36 HB1 TYR 36 22.233 -9.654 10.906
281 2HB TYR 36 HB2 TYR 36 22.715 -9.010 12.478
282 HD1 TYR 36 HD1 TYR 36 20.328 -8.847 9.653
283 HD2 TYR 36 HD2 TYR 36 21.360 -7.310 13.540
284 HE1 TYR 36 HE1 TYR 36 18.268 -7.435 9.656
285 HE2 TYR 36 HE2 TYR 36 19.344 -5.869 13.497
286 HH TYR 36 HH TYR 36 17.119 -5.639 12.384
287 1HN NH2 37 HN1 NH2 237 24.837 -6.711 8.996
288 2HN NH2 37 HN2 NH2 237 24.551 -7.663 7.589
Start of MODEL 17
1 1H TYR 1 HN1 TYR 1 -3.879 12.052 -20.947
2 2H TYR 1 HN2 TYR 1 -2.989 11.792 -19.567
3 3H TYR 1 HN3 TYR 1 -3.350 10.515 -20.645
4 HA TYR 1 HA TYR 1 -4.729 11.308 -18.380
5 1HB TYR 1 HB1 TYR 1 -6.085 12.078 -20.990
6 2HB TYR 1 HB2 TYR 1 -6.790 11.919 -19.402
7 HD1 TYR 1 HD1 TYR 1 -5.297 14.130 -21.776
8 HD2 TYR 1 HD2 TYR 1 -5.532 13.494 -17.513
9 HE1 TYR 1 HE1 TYR 1 -4.557 16.431 -21.379
10 HE2 TYR 1 HE2 TYR 1 -4.891 15.803 -17.131
11 HH TYR 1 HH TYR 1 -4.820 17.897 -18.215
12 HA PRO 2 HA PRO 2 -5.357 7.169 -20.467
13 1HB PRO 2 HB1 PRO 2 -4.198 5.602 -18.461
14 2HB PRO 2 HB2 PRO 2 -3.386 6.203 -19.930
15 1HG PRO 2 HG1 PRO 2 -3.130 7.177 -17.119
16 2HG PRO 2 HG2 PRO 2 -1.984 7.327 -18.515
17 1HD PRO 2 HD1 PRO 2 -3.823 9.258 -17.374
18 2HD PRO 2 HD2 PRO 2 -2.779 9.421 -18.850
19 H SER 3 H SER 3 -5.318 7.384 -16.772
20 HA SER 3 HA SER 3 -8.134 6.626 -16.965
21 1HB SER 3 HB1 SER 3 -7.661 5.488 -14.613
22 2HB SER 3 HB2 SER 3 -7.023 4.633 -16.060
23 HG SER 3 HG SER 3 -5.628 6.205 -14.120
24 H LYS 4 H LYS 4 -9.246 7.056 -14.693
25 HA LYS 4 HA LYS 4 -9.423 9.764 -14.482
26 1HB LYS 4 HB1 LYS 4 -10.264 7.475 -12.839
27 2HB LYS 4 HB2 LYS 4 -9.856 8.814 -11.797
28 1HG LYS 4 HG1 LYS 4 -12.021 9.373 -12.269
29 2HG LYS 4 HG2 LYS 4 -11.270 10.348 -13.458
30 1HD LYS 4 HD1 LYS 4 -12.137 9.224 -15.194
31 2HD LYS 4 HD2 LYS 4 -11.709 7.634 -14.494
32 1HE LYS 4 HE1 LYS 4 -13.836 8.240 -12.848
33 2HE LYS 4 HE2 LYS 4 -14.289 9.216 -14.239
34 1HZ LYS 4 HZ1 LYS 4 -13.522 6.711 -15.139
35 2HZ LYS 4 HZ2 LYS 4 -14.389 6.409 -13.791
36 3HZ LYS 4 HZ3 LYS 4 -15.050 7.281 -15.022
37 HA PRO 5 HA PRO 5 -5.877 11.346 -12.548
38 1HB PRO 5 HB1 PRO 5 -6.914 13.543 -11.140
39 2HB PRO 5 HB2 PRO 5 -6.580 13.453 -12.892
40 1HG PRO 5 HG1 PRO 5 -9.190 13.450 -11.504
41 2HG PRO 5 HG2 PRO 5 -8.805 13.854 -13.214
42 1HD PRO 5 HD1 PRO 5 -9.853 11.436 -12.145
43 2HD PRO 5 HD2 PRO 5 -9.376 11.821 -13.849
44 H ASP 6 H ASP 6 -4.860 10.336 -10.933
45 HA ASP 6 HA ASP 6 -6.155 9.439 -8.521
46 1HB ASP 6 HB1 ASP 6 -3.185 9.438 -9.355
47 2HB ASP 6 HB2 ASP 6 -3.891 8.708 -7.858
48 H ASN 7 H ASN 7 -5.745 10.069 -6.447
49 HA ASN 7 HA ASN 7 -4.911 12.911 -6.258
50 1HB ASN 7 HB1 ASN 7 -7.046 11.608 -5.143
51 2HB ASN 7 HB2 ASN 7 -5.917 11.693 -3.801
52 1HD2 ASN 7 HD2 ASN 7 -7.622 13.545 -6.340
53 2HD2 ASN 7 HD2 ASN 7 -7.525 15.105 -5.511
54 HA PRO 8 HA PRO 8 -1.194 11.460 -4.251
55 1HB PRO 8 HB1 PRO 8 -0.425 13.877 -3.001
56 2HB PRO 8 HB2 PRO 8 -0.112 13.419 -4.721
57 1HG PRO 8 HG1 PRO 8 -2.048 15.164 -3.517
58 2HG PRO 8 HG2 PRO 8 -1.398 15.283 -5.230
59 1HD PRO 8 HD1 PRO 8 -3.836 14.432 -4.294
60 2HD PRO 8 HD2 PRO 8 -3.242 14.179 -5.965
61 H GLY 9 H GLY 9 -1.100 10.255 -2.438
62 1HA GLY 9 HA1 GLY 9 -0.975 10.643 0.071
63 2HA GLY 9 HA2 GLY 9 -2.728 11.015 -0.044
64 H GLU 10 H GLU 10 -4.078 9.267 -1.274
65 HA GLU 10 HA GLU 10 -3.035 6.540 -0.462
66 1HB GLU 10 HB1 GLU 10 -4.760 7.304 1.105
67 2HB GLU 10 HB2 GLU 10 -5.862 7.630 -0.274
68 1HG GLU 10 HG1 GLU 10 -5.461 5.114 -0.934
69 2HG GLU 10 HG2 GLU 10 -4.730 4.970 0.706
70 H ASP 11 H ASP 11 -2.377 5.778 -2.290
71 HA ASP 11 HA ASP 11 -3.717 6.307 -4.844
72 1HB ASP 11 HB1 ASP 11 -1.572 4.318 -3.991
73 2HB ASP 11 HB2 ASP 11 -2.323 4.417 -5.594
74 H ALA 12 H ALA 12 -3.169 3.262 -3.010
75 HA ALA 12 HA ALA 12 -5.947 2.459 -3.717
76 1HB ALA 12 HB1 ALA 12 -4.679 0.051 -3.964
77 2HB ALA 12 HB2 ALA 12 -5.014 1.148 -5.326
78 3HB ALA 12 HB3 ALA 12 -3.409 1.126 -4.561
79 HA PRO 13 HA PRO 13 -5.981 1.268 0.484
80 1HB PRO 13 HB1 PRO 13 -7.899 -0.803 0.386
81 2HB PRO 13 HB2 PRO 13 -8.218 0.962 0.443
82 1HG PRO 13 HG1 PRO 13 -8.470 -0.963 -1.820
83 2HG PRO 13 HG2 PRO 13 -9.237 0.652 -1.610
84 1HD PRO 13 HD1 PRO 13 -6.972 -0.058 -3.198
85 2HD PRO 13 HD2 PRO 13 -7.681 1.569 -2.869
86 H ALA 14 H ALA 14 -4.867 -0.097 1.736
87 HA ALA 14 HA ALA 14 -3.705 -1.937 2.534
88 1HB ALA 14 HB1 ALA 14 -4.095 -3.903 0.393
89 2HB ALA 14 HB2 ALA 14 -4.606 -3.962 2.099
90 3HB ALA 14 HB3 ALA 14 -5.629 -3.196 0.867
91 H GLU 15 H GLU 15 -3.488 -2.178 -1.024
92 HA GLU 15 HA GLU 15 -0.888 -2.839 -1.319
93 1HB GLU 15 HB1 GLU 15 -2.715 -2.373 -3.126
94 2HB GLU 15 HB2 GLU 15 -2.082 -0.713 -3.097
95 1HG GLU 15 HG1 GLU 15 0.274 -2.159 -3.287
96 2HG GLU 15 HG2 GLU 15 -0.881 -3.285 -4.080
97 H ASP 16 H ASP 16 -2.203 0.303 -0.435
98 HA ASP 16 HA ASP 16 -0.001 1.896 -0.813
99 1HB ASP 16 HB1 ASP 16 -2.548 2.132 0.551
100 2HB ASP 16 HB2 ASP 16 -1.385 2.403 1.832
101 H LEU 17 H LEU 17 -0.849 -0.078 1.990
102 HA LEU 17 HA LEU 17 1.401 0.617 3.648
103 1HB LEU 17 HB1 LEU 17 0.463 -0.796 5.124
104 2HB LEU 17 HB2 LEU 17 -0.877 -0.898 3.979
105 HG LEU 17 HG LEU 17 0.680 -2.962 2.976
106 1HD1 LEU 17 HD1 LEU 17 1.118 -3.041 5.940
107 2HD1 LEU 17 HD1 LEU 17 1.672 -4.045 4.548
108 3HD1 LEU 17 HD1 LEU 17 2.413 -2.441 4.856
109 1HD2 LEU 17 HD2 LEU 17 -1.593 -3.142 3.459
110 2HD2 LEU 17 HD2 LEU 17 -0.520 -4.392 4.084
111 3HD2 LEU 17 HD2 LEU 17 -1.258 -3.168 5.215
112 H ALA 18 H ALA 18 0.974 -1.647 0.972
113 HA ALA 18 HA ALA 18 3.482 -3.043 1.321
114 1HB ALA 18 HB1 ALA 18 2.005 -2.764 -1.330
115 2HB ALA 18 HB2 ALA 18 2.966 -4.113 -0.731
116 3HB ALA 18 HB3 ALA 18 1.362 -3.785 -0.024
117 H ARG 19 H ARG 19 2.575 0.065 0.148
118 HA ARG 19 HA ARG 19 4.798 0.461 -1.586
119 1HB ARG 19 HB1 ARG 19 2.416 1.835 -1.197
120 2HB ARG 19 HB2 ARG 19 3.497 2.837 -0.238
121 1HG ARG 19 HG1 ARG 19 4.759 2.177 -2.787
122 2HG ARG 19 HG2 ARG 19 3.081 2.625 -3.061
123 1HD ARG 19 HD1 ARG 19 4.549 4.580 -3.207
124 2HD ARG 19 HD2 ARG 19 3.476 4.701 -1.800
125 HE ARG 19 HE ARG 19 5.242 4.514 -0.350
126 1HH1 ARG 19 HH1 ARG 19 8.660 3.850 -0.949
127 2HH1 ARG 19 HH1 ARG 19 7.536 4.400 0.236
128 1HH2 ARG 19 HH2 ARG 19 7.953 3.359 -3.220
129 2HH2 ARG 19 HH2 ARG 19 6.286 3.556 -3.576
130 H TYR 20 H TYR 20 4.004 1.259 1.753
131 HA TYR 20 HA TYR 20 6.444 2.687 2.397
132 1HB TYR 20 HB1 TYR 20 4.638 1.083 4.251
133 2HB TYR 20 HB2 TYR 20 5.565 2.532 4.665
134 HD1 TYR 20 HD1 TYR 20 4.628 3.969 1.859
135 HD2 TYR 20 HD2 TYR 20 2.707 2.208 5.335
136 HE1 TYR 20 HE1 TYR 20 2.665 5.332 1.466
137 HE2 TYR 20 HE2 TYR 20 0.744 3.632 4.919
138 HH TYR 20 HH TYR 20 -0.193 4.986 2.367
139 H TYR 21 H TYR 21 5.699 -0.624 1.979
140 HA TYR 21 HA TYR 21 7.652 -1.774 3.743
141 1HB TYR 21 HB1 TYR 21 5.560 -2.639 2.107
142 2HB TYR 21 HB2 TYR 21 6.919 -3.084 1.092
143 HD1 TYR 21 HD1 TYR 21 8.871 -4.412 2.358
144 HD2 TYR 21 HD2 TYR 21 4.724 -4.095 3.641
145 HE1 TYR 21 HE1 TYR 21 9.096 -6.499 3.697
146 HE2 TYR 21 HE2 TYR 21 4.986 -6.318 4.772
147 HH TYR 21 HH TYR 21 7.253 -7.464 6.089
148 H SER 22 H SER 22 7.739 -0.701 0.274
149 HA SER 22 HA SER 22 10.142 -1.800 -0.345
150 1HB SER 22 HB1 SER 22 10.233 -0.221 -2.208
151 2HB SER 22 HB2 SER 22 8.546 -0.704 -1.971
152 HG SER 22 HG SER 22 9.642 1.714 -1.902
153 H ALA 23 H ALA 23 9.369 1.327 1.057
154 HA ALA 23 HA ALA 23 12.111 2.340 1.213
155 1HB ALA 23 HB1 ALA 23 10.529 4.031 1.340
156 2HB ALA 23 HB2 ALA 23 9.441 3.071 2.395
157 3HB ALA 23 HB3 ALA 23 10.919 3.788 3.063
158 H LEU 24 H LEU 24 9.969 0.447 3.314
159 HA LEU 24 HA LEU 24 11.758 0.531 5.516
160 1HB LEU 24 HB1 LEU 24 9.200 -0.778 4.839
161 2HB LEU 24 HB2 LEU 24 10.277 -1.995 5.531
162 HG LEU 24 HG LEU 24 9.132 0.582 6.706
163 1HD1 LEU 24 HD1 LEU 24 9.323 -1.738 8.340
164 2HD1 LEU 24 HD1 LEU 24 7.873 -0.828 7.879
165 3HD1 LEU 24 HD1 LEU 24 8.478 -2.167 6.867
166 1HD2 LEU 24 HD2 LEU 24 11.737 -0.778 7.352
167 2HD2 LEU 24 HD2 LEU 24 11.189 0.871 7.671
168 3HD2 LEU 24 HD2 LEU 24 10.750 -0.399 8.769
169 H ARG 25 H ARG 25 11.507 -1.512 2.662
170 HA ARG 25 HA ARG 25 13.341 -3.497 3.556
171 1HB ARG 25 HB1 ARG 25 12.165 -4.113 1.637
172 2HB ARG 25 HB2 ARG 25 12.361 -2.584 0.841
173 1HG ARG 25 HG1 ARG 25 14.517 -2.895 0.125
174 2HG ARG 25 HG2 ARG 25 14.923 -4.129 1.302
175 1HD ARG 25 HD1 ARG 25 13.704 -5.838 0.330
176 2HD ARG 25 HD2 ARG 25 12.854 -4.746 -0.726
177 HE ARG 25 HE ARG 25 15.797 -4.667 -1.075
178 1HH1 ARG 25 HH1 ARG 25 15.616 -6.025 -4.317
179 2HH1 ARG 25 HH1 ARG 25 16.637 -5.203 -3.197
180 1HH2 ARG 25 HH2 ARG 25 13.404 -6.589 -3.757
181 2HH2 ARG 25 HH2 ARG 25 12.767 -6.072 -2.260
182 H HIS 26 H HIS 26 13.796 -0.519 1.593
183 HA HIS 26 HA HIS 26 16.576 -0.795 1.105
184 1HB HIS 26 HB1 HIS 26 14.961 1.071 0.295
185 2HB HIS 26 HB2 HIS 26 15.146 1.820 1.906
186 HD1 HIS 26 HD1 HIS 26 17.772 0.205 -0.589
187 HD2 HIS 26 HD2 HIS 26 16.785 3.749 1.477
188 HE1 HIS 26 HE1 HIS 26 19.623 1.916 -1.049
189 H TYR 27 H TYR 27 14.890 0.555 3.922
190 HA TYR 27 HA TYR 27 17.265 1.176 5.350
191 1HB TYR 27 HB1 TYR 27 14.365 1.085 5.840
192 2HB TYR 27 HB2 TYR 27 15.321 0.788 7.310
193 HD1 TYR 27 HD1 TYR 27 17.743 2.582 6.783
194 HD2 TYR 27 HD2 TYR 27 13.450 3.165 6.368
195 HE1 TYR 27 HE1 TYR 27 18.032 4.928 7.226
196 HE2 TYR 27 HE2 TYR 27 13.798 5.567 6.821
197 HH TYR 27 HH TYR 27 16.972 7.024 7.303
198 H ILE 28 H ILE 28 14.791 -1.231 6.207
199 HA ILE 28 HA ILE 28 16.316 -2.685 8.026
200 HB ILE 28 HB ILE 28 14.343 -3.691 6.015
201 1HG1 ILE 28 1HG1 ILE 28 14.110 -2.831 8.994
202 2HG1 ILE 28 2HG1 ILE 28 13.498 -1.961 7.600
203 1HG2 ILE 28 1HG2 ILE 28 16.013 -5.299 7.907
204 2HG2 ILE 28 2HG2 ILE 28 14.425 -5.177 8.400
205 3HG2 ILE 28 3HG2 ILE 28 14.736 -5.806 6.750
206 1HD1 ILE 28 1HD1 ILE 28 11.590 -3.079 8.377
207 2HD1 ILE 28 2HD1 ILE 28 12.145 -4.105 7.031
208 3HD1 ILE 28 3HD1 ILE 28 12.448 -4.569 8.722
209 H ASN 29 H ASN 29 16.729 -2.607 4.547
210 HA ASN 29 HA ASN 29 18.401 -4.976 4.248
211 1HB ASN 29 HB1 ASN 29 17.371 -4.080 2.275
212 2HB ASN 29 HB2 ASN 29 17.985 -2.460 2.614
213 1HD2 ASN 29 HD2 ASN 29 19.140 -5.699 1.996
214 2HD2 ASN 29 HD2 ASN 29 20.598 -5.182 1.127
215 H LEU 30 H LEU 30 19.052 -1.449 4.410
216 HA LEU 30 HA LEU 30 21.897 -1.929 4.730
217 1HB LEU 30 HB1 LEU 30 22.231 0.431 4.783
218 2HB LEU 30 HB2 LEU 30 21.206 -0.108 3.443
219 HG LEU 30 HG LEU 30 19.287 0.476 5.050
220 1HD1 LEU 30 HD1 LEU 30 21.594 1.688 6.489
221 2HD1 LEU 30 HD1 LEU 30 20.122 2.712 6.332
222 3HD1 LEU 30 HD1 LEU 30 20.021 1.136 7.024
223 1HD2 LEU 30 HD2 LEU 30 20.443 2.991 4.072
224 2HD2 LEU 30 HD2 LEU 30 20.106 1.713 2.875
225 3HD2 LEU 30 HD2 LEU 30 18.799 2.311 3.895
226 H ILE 31 H ILE 31 19.417 -0.779 6.960
227 HA ILE 31 HA ILE 31 20.902 -0.442 9.162
228 HB ILE 31 HB ILE 31 18.047 -0.896 8.418
229 1HG1 ILE 31 1HG1 ILE 31 17.607 0.291 10.381
230 2HG1 ILE 31 2HG1 ILE 31 19.286 0.084 10.888
231 1HG2 ILE 31 1HG2 ILE 31 18.121 -3.006 9.220
232 2HG2 ILE 31 2HG2 ILE 31 18.916 -2.572 10.772
233 3HG2 ILE 31 3HG2 ILE 31 17.310 -1.928 10.389
234 1HD1 ILE 31 1HD1 ILE 31 20.017 1.607 9.130
235 2HD1 ILE 31 2HD1 ILE 31 18.389 1.439 8.394
236 3HD1 ILE 31 3HD1 ILE 31 18.625 2.376 9.855
237 H THR 32 H THR 32 19.969 -3.562 7.608
238 HA THR 32 HA THR 32 21.011 -5.058 9.842
239 HB THR 32 HB THR 32 20.551 -7.004 8.097
240 HG1 THR 32 HG1 THR 32 19.388 -5.189 6.591
241 1HG2 THR 32 1HG2 THR 32 18.771 -6.704 9.646
242 2HG2 THR 32 2HG2 THR 32 18.467 -5.076 9.111
243 3HG2 THR 32 3HG2 THR 32 18.073 -6.451 8.040
244 H ARG 33 H ARG 33 22.012 -4.363 6.410
245 HA ARG 33 HA ARG 33 24.308 -5.707 6.182
246 1HB ARG 33 HB1 ARG 33 23.278 -3.430 5.052
247 2HB ARG 33 HB2 ARG 33 24.892 -2.932 5.535
248 1HG ARG 33 HG1 ARG 33 25.124 -3.771 3.336
249 2HG ARG 33 HG2 ARG 33 25.632 -5.129 4.367
250 1HD ARG 33 HD1 ARG 33 23.084 -5.860 4.226
251 2HD ARG 33 HD2 ARG 33 22.947 -4.735 2.910
252 HE ARG 33 HE ARG 33 24.353 -7.321 3.046
253 1HH1 ARG 33 HH1 ARG 33 25.502 -7.151 -0.317
254 2HH1 ARG 33 HH1 ARG 33 25.301 -8.165 1.067
255 1HH2 ARG 33 HH2 ARG 33 24.812 -4.845 -0.194
256 2HH2 ARG 33 HH2 ARG 33 24.135 -4.275 1.293
257 H GLN 34 H GLN 34 24.005 -2.779 8.124
258 HA GLN 34 HA GLN 34 26.755 -2.923 9.059
259 1HB GLN 34 HB1 GLN 34 25.642 -0.783 8.631
260 2HB GLN 34 HB2 GLN 34 24.474 -1.100 9.940
261 1HG GLN 34 HG1 GLN 34 26.020 -0.704 11.604
262 2HG GLN 34 HG2 GLN 34 27.340 -1.455 10.687
263 1HE2 GLN 34 1HE2 GLN 34 28.942 0.000 10.604
264 2HE2 GLN 34 2HE2 GLN 34 28.755 1.654 10.044
265 H ARG 35 H ARG 35 23.504 -3.627 10.278
266 HA ARG 35 HA ARG 35 24.538 -4.509 12.943
267 1HB ARG 35 HB1 ARG 35 21.748 -4.150 11.840
268 2HB ARG 35 HB2 ARG 35 22.074 -4.946 13.363
269 1HG ARG 35 HG1 ARG 35 22.226 -3.078 14.447
270 2HG ARG 35 HG2 ARG 35 23.617 -2.535 13.479
271 1HD ARG 35 HD1 ARG 35 22.367 -1.343 12.005
272 2HD ARG 35 HD2 ARG 35 20.804 -2.164 12.425
273 HE ARG 35 HE ARG 35 21.333 -1.082 14.736
274 1HH1 ARG 35 HH1 ARG 35 20.427 2.328 14.309
275 2HH1 ARG 35 HH1 ARG 35 20.702 1.041 15.433
276 1HH2 ARG 35 HH2 ARG 35 20.808 1.902 11.968
277 2HH2 ARG 35 HH2 ARG 35 21.325 0.312 11.500
278 H TYR 36 H TYR 36 22.000 -6.055 11.201
279 HA TYR 36 HA TYR 36 21.479 -8.356 11.705
280 1HB TYR 36 HB1 TYR 36 22.021 -7.304 9.367
281 2HB TYR 36 HB2 TYR 36 23.513 -8.265 9.280
282 HD1 TYR 36 HD1 TYR 36 19.745 -8.569 10.346
283 HD2 TYR 36 HD2 TYR 36 22.858 -9.920 7.656
284 HE1 TYR 36 HE1 TYR 36 18.191 -10.142 9.417
285 HE2 TYR 36 HE2 TYR 36 21.251 -11.521 6.673
286 HH TYR 36 HH TYR 36 17.844 -11.424 7.361
287 1HN NH2 37 HN1 NH2 237 22.431 -9.101 13.546
288 2HN NH2 37 HN2 NH2 237 24.035 -9.922 13.532