Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
2654 | 1ce3 RC | 4487 | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1H MET 1 -11.203 8.492 3.978
2 2H MET 1 2H MET 1 -11.803 6.903 3.974
3 3H MET 1 3H MET 1 -10.145 7.185 4.212
4 HA MET 1 HA MET 1 -10.301 6.481 2.031
5 1HB MET 1 1HB MET 1 -11.976 7.471 0.436
6 2HB MET 1 2HB MET 1 -12.754 6.689 1.793
7 1HG MET 1 1HG MET 1 -12.987 8.903 2.919
8 2HG MET 1 2HG MET 1 -12.235 9.671 1.551
9 1HE MET 1 1HE MET 1 -15.202 7.236 2.408
10 2HE MET 1 2HE MET 1 -15.399 8.774 3.284
11 3HE MET 1 3HE MET 1 -16.527 8.316 2.022
12 H LYS 2 H LYS 2 -9.135 8.718 3.623
13 HA LYS 2 HA LYS 2 -8.641 10.973 1.921
14 1HB LYS 2 1HB LYS 2 -7.183 9.860 4.353
15 2HB LYS 2 2HB LYS 2 -6.668 11.326 3.549
16 1HG LYS 2 1HG LYS 2 -8.064 11.930 5.445
17 2HG LYS 2 2HG LYS 2 -8.904 12.347 3.967
18 1HD LYS 2 1HD LYS 2 -10.357 10.375 4.168
19 2HD LYS 2 2HD LYS 2 -9.435 9.781 5.540
20 1HE LYS 2 1HE LYS 2 -11.512 10.904 6.281
21 2HE LYS 2 2HE LYS 2 -10.124 11.842 6.813
22 1HZ LYS 2 1HZ LYS 2 -11.535 12.400 4.278
23 2HZ LYS 2 2HZ LYS 2 -11.995 13.102 5.756
24 3HZ LYS 2 3HZ LYS 2 -10.447 13.397 5.119
25 H ALA 3 H ALA 3 -7.997 10.365 -0.063
26 HA ALA 3 HA ALA 3 -6.091 8.469 -0.719
27 1HB ALA 3 1HB ALA 3 -7.740 9.308 -2.338
28 2HB ALA 3 2HB ALA 3 -7.013 10.898 -2.280
29 3HB ALA 3 3HB ALA 3 -6.125 9.550 -2.974
30 H CYS 4 H CYS 4 -4.021 8.589 0.078
31 HA CYS 4 HA CYS 4 -2.587 11.060 0.487
32 1HB CYS 4 1HB CYS 4 -1.871 8.146 0.471
33 2HB CYS 4 2HB CYS 4 -0.594 9.309 0.525
34 H THR 5 H THR 5 -0.193 10.990 -0.558
35 HA THR 5 HA THR 5 -0.435 11.798 -3.217
36 HB THR 5 HB THR 5 2.103 10.818 -1.752
37 HG1 THR 5 HG1 THR 5 0.602 13.231 -1.792
38 1HG2 THR 5 1HG2 THR 5 2.262 11.468 -4.234
39 2HG2 THR 5 2HG2 THR 5 1.599 13.036 -3.798
40 3HG2 THR 5 3HG2 THR 5 3.164 12.536 -3.160
41 H LEU 6 H LEU 6 -0.669 10.730 -4.892
42 HA LEU 6 HA LEU 6 -0.986 7.947 -5.202
43 1HB LEU 6 1HB LEU 6 -0.207 9.939 -7.371
44 2HB LEU 6 2HB LEU 6 -0.993 8.397 -7.636
45 HG LEU 6 HG LEU 6 -2.218 10.711 -6.044
46 1HD1 LEU 6 1HD1 LEU 6 -2.032 11.219 -8.470
47 2HD1 LEU 6 2HD1 LEU 6 -2.829 9.703 -8.860
48 3HD1 LEU 6 3HD1 LEU 6 -3.709 10.967 -8.016
49 1HD2 LEU 6 1HD2 LEU 6 -3.447 8.081 -7.003
50 2HD2 LEU 6 2HD2 LEU 6 -3.069 8.469 -5.333
51 3HD2 LEU 6 3HD2 LEU 6 -4.308 9.370 -6.178
52 H ASN 7 H ASN 7 1.925 9.664 -4.977
53 HA ASN 7 HA ASN 7 3.673 8.301 -6.587
54 1HB ASN 7 1HB ASN 7 4.108 9.574 -3.860
55 2HB ASN 7 2HB ASN 7 5.423 9.077 -4.914
56 1HD2 ASN 7 2HD2 ASN 7 5.682 11.608 -4.483
57 2HD2 ASN 7 1HD2 ASN 7 5.035 12.602 -5.698
58 H CYS 8 H CYS 8 5.499 7.010 -5.760
59 HA CYS 8 HA CYS 8 4.536 4.455 -4.802
60 1HB CYS 8 1HB CYS 8 7.442 4.798 -4.780
61 2HB CYS 8 2HB CYS 8 6.468 3.636 -5.610
62 H ASP 9 H ASP 9 4.467 3.697 -2.801
63 HA ASP 9 HA ASP 9 5.717 5.274 -0.615
64 1HB ASP 9 1HB ASP 9 3.320 4.857 -0.455
65 2HB ASP 9 2HB ASP 9 3.573 3.141 -0.640
66 HA PRO 10 HA PRO 10 9.017 2.439 -0.984
67 1HB PRO 10 1HB PRO 10 10.045 2.653 1.671
68 2HB PRO 10 2HB PRO 10 10.526 3.587 0.264
69 1HG PRO 10 1HG PRO 10 8.808 4.384 2.521
70 2HG PRO 10 2HG PRO 10 9.650 5.399 1.358
71 1HD PRO 10 1HD PRO 10 6.871 4.930 1.399
72 2HD PRO 10 2HD PRO 10 7.776 5.584 0.020
73 H ARG 11 H ARG 11 6.773 2.038 1.550
74 HA ARG 11 HA ARG 11 7.585 -0.681 2.304
75 1HB ARG 11 1HB ARG 11 4.950 0.704 2.936
76 2HB ARG 11 2HB ARG 11 5.682 -0.628 3.794
77 1HG ARG 11 1HG ARG 11 7.459 0.747 4.678
78 2HG ARG 11 2HG ARG 11 7.041 2.095 3.636
79 1HD ARG 11 1HD ARG 11 5.239 0.966 5.810
80 2HD ARG 11 2HD ARG 11 6.165 2.459 5.932
81 HE ARG 11 HE ARG 11 4.850 3.221 3.869
82 1HH1 ARG 11 1HH1 ARG 11 3.520 0.937 6.148
83 2HH1 ARG 11 2HH1 ARG 11 1.894 1.360 5.746
84 1HH2 ARG 11 1HH2 ARG 11 2.806 3.737 3.381
85 2HH2 ARG 11 2HH2 ARG 11 1.481 2.956 4.175
86 H ILE 12 H ILE 12 5.169 0.924 0.373
87 HA ILE 12 HA ILE 12 3.685 -1.460 -0.334
88 HB ILE 12 HB ILE 12 3.738 1.318 -1.572
89 1HG1 ILE 12 1HG1 ILE 12 3.067 0.962 0.962
90 2HG1 ILE 12 2HG1 ILE 12 2.044 1.966 -0.035
91 1HG2 ILE 12 1HG2 ILE 12 1.719 -0.929 -1.933
92 2HG2 ILE 12 2HG2 ILE 12 1.502 0.718 -2.500
93 3HG2 ILE 12 3HG2 ILE 12 2.790 -0.276 -3.156
94 1HD1 ILE 12 1HD1 ILE 12 1.534 -0.944 0.569
95 2HD1 ILE 12 2HD1 ILE 12 0.761 0.436 1.349
96 3HD1 ILE 12 3HD1 ILE 12 0.502 0.150 -0.358
97 H ALA 13 H ALA 13 3.866 -2.741 -1.904
98 HA ALA 13 HA ALA 13 6.036 -2.374 -3.939
99 1HB ALA 13 1HB ALA 13 6.333 -4.290 -2.400
100 2HB ALA 13 2HB ALA 13 4.785 -4.950 -2.885
101 3HB ALA 13 3HB ALA 13 6.087 -4.850 -4.042
102 H TYR 14 H TYR 14 3.083 -4.258 -3.576
103 HA TYR 14 HA TYR 14 1.962 -3.116 -6.073
104 1HB TYR 14 1HB TYR 14 1.257 -5.525 -6.733
105 2HB TYR 14 2HB TYR 14 2.936 -5.164 -6.964
106 HD1 TYR 14 HD1 TYR 14 4.574 -5.837 -5.080
107 HD2 TYR 14 HD2 TYR 14 0.654 -7.417 -5.443
108 HE1 TYR 14 HE1 TYR 14 5.212 -7.724 -3.679
109 HE2 TYR 14 HE2 TYR 14 1.289 -9.312 -4.026
110 HH TYR 14 HH TYR 14 4.461 -10.095 -3.329
111 H GLY 15 H GLY 15 -0.309 -4.150 -6.312
112 1HA GLY 15 1HA GLY 15 -1.631 -4.798 -3.791
113 2HA GLY 15 2HA GLY 15 -2.046 -3.212 -4.429
114 H VAL 16 H VAL 16 -3.725 -5.402 -4.028
115 HA VAL 16 HA VAL 16 -4.643 -5.983 -6.832
116 HB VAL 16 HB VAL 16 -4.744 -7.676 -4.281
117 1HG1 VAL 16 1HG1 VAL 16 -6.233 -8.237 -6.885
118 2HG1 VAL 16 2HG1 VAL 16 -6.099 -9.341 -5.526
119 3HG1 VAL 16 3HG1 VAL 16 -6.995 -7.850 -5.351
120 1HG2 VAL 16 1HG2 VAL 16 -2.701 -7.849 -5.690
121 2HG2 VAL 16 2HG2 VAL 16 -3.611 -9.347 -5.734
122 3HG2 VAL 16 3HG2 VAL 16 -3.689 -8.232 -7.088
123 H CYS 17 H CYS 17 -7.000 -6.143 -6.941
124 HA CYS 17 HA CYS 17 -8.605 -4.836 -4.872
125 1HB CYS 17 1HB CYS 17 -8.382 -3.597 -7.643
126 2HB CYS 17 2HB CYS 17 -9.305 -2.958 -6.326
127 HA PRO 18 HA PRO 18 -11.986 -7.068 -7.063
128 1HB PRO 18 1HB PRO 18 -13.306 -4.483 -7.678
129 2HB PRO 18 2HB PRO 18 -13.917 -5.889 -6.820
130 1HG PRO 18 1HG PRO 18 -13.031 -3.466 -5.647
131 2HG PRO 18 2HG PRO 18 -13.375 -4.961 -4.790
132 1HD PRO 18 1HD PRO 18 -10.795 -3.722 -5.223
133 2HD PRO 18 2HD PRO 18 -11.134 -5.214 -4.337
134 H ARG 19 H ARG 19 -11.325 -7.841 -8.889
135 HA ARG 19 HA ARG 19 -10.714 -8.122 -11.093
136 1HB ARG 19 1HB ARG 19 -12.847 -6.349 -11.115
137 2HB ARG 19 2HB ARG 19 -11.668 -5.410 -12.000
138 1HG ARG 19 1HG ARG 19 -11.281 -7.426 -13.488
139 2HG ARG 19 2HG ARG 19 -12.567 -8.257 -12.630
140 1HD ARG 19 1HD ARG 19 -12.895 -5.628 -14.129
141 2HD ARG 19 2HD ARG 19 -13.396 -7.211 -14.727
142 HE ARG 19 HE ARG 19 -14.592 -6.856 -12.186
143 1HH1 ARG 19 1HH1 ARG 19 -14.673 -5.471 -15.360
144 2HH1 ARG 19 2HH1 ARG 19 -16.322 -4.964 -15.221
145 1HH2 ARG 19 1HH2 ARG 19 -16.681 -6.223 -11.986
146 2HH2 ARG 19 2HH2 ARG 19 -17.478 -5.396 -13.283
147 H SER 20 H SER 20 -8.607 -7.930 -10.166
148 HA SER 20 HA SER 20 -6.866 -6.152 -11.688
149 1HB SER 20 1HB SER 20 -6.882 -6.010 -8.629
150 2HB SER 20 2HB SER 20 -5.693 -5.211 -9.663
151 HG SER 20 HG SER 20 -8.465 -4.760 -9.453
152 H GLU 21 H GLU 21 -5.918 -7.889 -12.513
153 HA GLU 21 HA GLU 21 -5.171 -10.215 -11.053
154 1HB GLU 21 1HB GLU 21 -5.855 -10.096 -13.503
155 2HB GLU 21 2HB GLU 21 -4.314 -9.353 -13.858
156 1HG GLU 21 1HG GLU 21 -4.318 -11.812 -14.334
157 2HG GLU 21 2HG GLU 21 -3.118 -11.439 -13.122
158 H GLU 22 H GLU 22 -2.562 -9.783 -12.987
159 HA GLU 22 HA GLU 22 -0.332 -9.278 -12.773
160 1HB GLU 22 1HB GLU 22 -0.960 -6.960 -12.140
161 2HB GLU 22 2HB GLU 22 -1.258 -7.438 -10.482
162 1HG GLU 22 1HG GLU 22 1.163 -8.121 -10.266
163 2HG GLU 22 2HG GLU 22 1.441 -7.510 -11.881
164 H LYS 23 H LYS 23 1.403 -10.189 -11.763
165 HA LYS 23 HA LYS 23 0.985 -12.340 -9.965
166 1HB LYS 23 1HB LYS 23 2.756 -12.297 -11.632
167 2HB LYS 23 2HB LYS 23 3.466 -10.862 -10.932
168 1HG LYS 23 1HG LYS 23 4.043 -12.124 -8.885
169 2HG LYS 23 2HG LYS 23 3.276 -13.562 -9.548
170 1HD LYS 23 1HD LYS 23 4.885 -13.477 -11.479
171 2HD LYS 23 2HD LYS 23 5.650 -12.067 -10.758
172 1HE LYS 23 1HE LYS 23 6.180 -13.382 -8.741
173 2HE LYS 23 2HE LYS 23 5.403 -14.793 -9.456
174 1HZ LYS 23 1HZ LYS 23 7.011 -14.715 -11.253
175 2HZ LYS 23 2HZ LYS 23 7.759 -13.362 -10.550
176 3HZ LYS 23 3HZ LYS 23 7.788 -14.860 -9.749
177 H LYS 24 H LYS 24 1.918 -12.587 -7.819
178 HA LYS 24 HA LYS 24 1.612 -10.099 -6.227
179 1HB LYS 24 1HB LYS 24 1.900 -12.117 -4.337
180 2HB LYS 24 2HB LYS 24 0.383 -11.568 -4.985
181 1HG LYS 24 1HG LYS 24 0.358 -13.337 -6.679
182 2HG LYS 24 2HG LYS 24 1.946 -13.886 -6.185
183 1HD LYS 24 1HD LYS 24 -0.557 -13.905 -4.436
184 2HD LYS 24 2HD LYS 24 0.113 -15.303 -5.249
185 1HE LYS 24 1HE LYS 24 1.481 -13.707 -3.027
186 2HE LYS 24 2HE LYS 24 0.834 -15.330 -2.913
187 1HZ LYS 24 1HZ LYS 24 2.421 -15.903 -4.764
188 2HZ LYS 24 2HZ LYS 24 3.176 -14.417 -4.443
189 3HZ LYS 24 3HZ LYS 24 3.093 -15.606 -3.233
190 H ASN 25 H ASN 25 3.761 -9.792 -7.499
191 HA ASN 25 HA ASN 25 5.852 -9.471 -5.633
192 1HB ASN 25 1HB ASN 25 5.813 -12.065 -7.091
193 2HB ASN 25 2HB ASN 25 7.316 -11.197 -7.314
194 1HD2 ASN 25 2HD2 ASN 25 5.914 -13.457 -5.355
195 2HD2 ASN 25 1HD2 ASN 25 6.783 -13.182 -3.923
196 H ASP 26 H ASP 26 5.433 -7.509 -6.605
197 HA ASP 26 HA ASP 26 7.219 -6.830 -8.805
198 1HB ASP 26 1HB ASP 26 4.787 -5.608 -9.725
199 2HB ASP 26 2HB ASP 26 5.651 -6.900 -10.515
200 H ARG 27 H ARG 27 8.160 -5.167 -7.658
201 HA ARG 27 HA ARG 27 6.469 -3.544 -5.866
202 1HB ARG 27 1HB ARG 27 8.577 -4.229 -4.971
203 2HB ARG 27 2HB ARG 27 9.449 -3.727 -6.399
204 1HG ARG 27 1HG ARG 27 9.272 -1.398 -5.854
205 2HG ARG 27 2HG ARG 27 7.984 -1.674 -4.699
206 1HD ARG 27 1HD ARG 27 10.850 -2.685 -4.394
207 2HD ARG 27 2HD ARG 27 10.231 -1.236 -3.620
208 HE ARG 27 HE ARG 27 9.655 -4.005 -2.855
209 1HH1 ARG 27 1HH1 ARG 27 8.625 -0.696 -2.691
210 2HH1 ARG 27 2HH1 ARG 27 7.697 -0.943 -1.252
211 1HH2 ARG 27 1HH2 ARG 27 8.482 -4.329 -1.032
212 2HH2 ARG 27 2HH2 ARG 27 7.608 -3.022 -0.303
213 H ILE 28 H ILE 28 5.173 -2.773 -7.696
214 HA ILE 28 HA ILE 28 6.264 -0.942 -9.601
215 HB ILE 28 HB ILE 28 3.362 -1.014 -8.888
216 1HG1 ILE 28 1HG1 ILE 28 3.572 -3.079 -10.825
217 2HG1 ILE 28 2HG1 ILE 28 4.923 -3.419 -9.772
218 1HG2 ILE 28 1HG2 ILE 28 4.798 -0.978 -11.516
219 2HG2 ILE 28 2HG2 ILE 28 3.047 -0.955 -11.300
220 3HG2 ILE 28 3HG2 ILE 28 4.007 0.391 -10.732
221 1HD1 ILE 28 1HD1 ILE 28 3.365 -3.320 -7.825
222 2HD1 ILE 28 2HD1 ILE 28 2.028 -3.037 -8.924
223 3HD1 ILE 28 3HD1 ILE 28 2.906 -4.557 -8.988
224 H CYS 29 H CYS 29 4.874 1.261 -9.607
225 HA CYS 29 HA CYS 29 5.464 2.569 -7.019
226 1HB CYS 29 1HB CYS 29 6.424 3.534 -9.070
227 2HB CYS 29 2HB CYS 29 4.825 3.745 -9.738
228 H THR 30 H THR 30 3.818 2.369 -5.678
229 HA THR 30 HA THR 30 1.322 3.757 -6.211
230 HB THR 30 HB THR 30 0.841 1.539 -7.340
231 HG1 THR 30 HG1 THR 30 -0.454 1.683 -4.833
232 1HG2 THR 30 1HG2 THR 30 2.340 0.080 -5.842
233 2HG2 THR 30 2HG2 THR 30 1.173 0.333 -4.552
234 3HG2 THR 30 3HG2 THR 30 0.698 -0.522 -6.003
235 H ASN 31 H ASN 31 -0.206 3.310 -4.235
236 HA ASN 31 HA ASN 31 1.254 2.831 -1.719
237 1HB ASN 31 1HB ASN 31 1.695 5.204 -2.188
238 2HB ASN 31 2HB ASN 31 0.000 5.497 -2.491
239 1HD2 ASN 31 2HD2 ASN 31 -0.213 7.063 -0.888
240 2HD2 ASN 31 1HD2 ASN 31 -0.086 6.729 0.769
241 H CYS 32 H CYS 32 -0.109 2.593 0.109
242 HA CYS 32 HA CYS 32 -2.732 1.455 -0.514
243 1HB CYS 32 1HB CYS 32 -1.482 0.246 1.122
244 2HB CYS 32 2HB CYS 32 -1.085 1.695 1.999
245 H CYS 33 H CYS 33 -1.612 4.035 1.702
246 HA CYS 33 HA CYS 33 -4.169 4.947 2.488
247 1HB CYS 33 1HB CYS 33 -2.257 5.772 3.658
248 2HB CYS 33 2HB CYS 33 -1.536 6.388 2.191
249 H ALA 34 H ALA 34 -2.543 5.308 -0.488
250 HA ALA 34 HA ALA 34 -4.291 7.498 -1.475
251 1HB ALA 34 1HB ALA 34 -2.151 5.808 -2.902
252 2HB ALA 34 2HB ALA 34 -2.922 7.244 -3.553
253 3HB ALA 34 3HB ALA 34 -1.846 7.375 -2.174
254 H GLY 35 H GLY 35 -3.276 4.331 -2.486
255 1HA GLY 35 1HA GLY 35 -4.340 2.738 -3.856
256 2HA GLY 35 2HA GLY 35 -5.136 2.527 -2.319
257 H THR 36 H THR 36 -6.963 1.766 -3.031
258 HA THR 36 HA THR 36 -8.932 3.605 -4.171
259 HB THR 36 HB THR 36 -8.781 0.896 -5.427
260 HG1 THR 36 HG1 THR 36 -7.315 3.226 -6.159
261 1HG2 THR 36 1HG2 THR 36 -9.517 3.654 -6.562
262 2HG2 THR 36 2HG2 THR 36 -9.708 2.129 -7.410
263 3HG2 THR 36 3HG2 THR 36 -10.705 2.484 -6.017
264 H LYS 37 H LYS 37 -11.063 2.210 -4.313
265 HA LYS 37 HA LYS 37 -11.631 1.307 -1.648
266 1HB LYS 37 1HB LYS 37 -13.495 2.242 -2.579
267 2HB LYS 37 2HB LYS 37 -13.114 1.716 -4.201
268 1HG LYS 37 1HG LYS 37 -13.912 -0.588 -3.668
269 2HG LYS 37 2HG LYS 37 -14.298 -0.079 -2.034
270 1HD LYS 37 1HD LYS 37 -15.525 1.097 -4.570
271 2HD LYS 37 2HD LYS 37 -16.286 -0.125 -3.573
272 1HE LYS 37 1HE LYS 37 -16.273 1.463 -1.632
273 2HE LYS 37 2HE LYS 37 -15.570 2.702 -2.667
274 1HZ LYS 37 1HZ LYS 37 -18.170 1.367 -3.109
275 2HZ LYS 37 2HZ LYS 37 -17.941 2.939 -2.510
276 3HZ LYS 37 3HZ LYS 37 -17.484 2.563 -4.102
277 H GLY 38 H GLY 38 -11.894 -0.610 -0.787
278 1HA GLY 38 1HA GLY 38 -11.694 -2.866 -0.364
279 2HA GLY 38 2HA GLY 38 -12.305 -3.116 -1.981
280 H CYS 39 H CYS 39 -9.308 -1.458 -2.019
281 HA CYS 39 HA CYS 39 -8.018 -3.764 -3.200
282 1HB CYS 39 1HB CYS 39 -7.011 -1.041 -2.457
283 2HB CYS 39 2HB CYS 39 -6.093 -2.197 -3.372
284 H LYS 40 H LYS 40 -5.707 -4.159 -2.606
285 HA LYS 40 HA LYS 40 -5.094 -4.252 0.293
286 1HB LYS 40 1HB LYS 40 -4.703 -6.728 0.134
287 2HB LYS 40 2HB LYS 40 -6.380 -6.276 -0.032
288 1HG LYS 40 1HG LYS 40 -5.609 -6.262 -2.689
289 2HG LYS 40 2HG LYS 40 -4.473 -7.412 -2.042
290 1HD LYS 40 1HD LYS 40 -6.389 -8.651 -2.824
291 2HD LYS 40 2HD LYS 40 -6.370 -8.732 -1.075
292 1HE LYS 40 1HE LYS 40 -8.660 -8.248 -2.008
293 2HE LYS 40 2HE LYS 40 -8.122 -6.968 -0.940
294 1HZ LYS 40 1HZ LYS 40 -7.739 -6.878 -3.872
295 2HZ LYS 40 2HZ LYS 40 -9.114 -6.253 -3.096
296 3HZ LYS 40 3HZ LYS 40 -7.580 -5.609 -2.758
297 H TYR 41 H TYR 41 -3.242 -3.126 0.211
298 HA TYR 41 HA TYR 41 -1.268 -3.690 -1.885
299 1HB TYR 41 1HB TYR 41 -1.640 -1.450 0.090
300 2HB TYR 41 2HB TYR 41 -0.253 -1.617 -0.964
301 HD1 TYR 41 HD1 TYR 41 -3.881 -0.956 -0.863
302 HD2 TYR 41 HD2 TYR 41 -0.454 -1.261 -3.376
303 HE1 TYR 41 HE1 TYR 41 -5.122 0.089 -2.699
304 HE2 TYR 41 HE2 TYR 41 -1.705 -0.220 -5.204
305 HH TYR 41 HH TYR 41 -5.004 0.975 -4.736
306 H PHE 42 H PHE 42 0.392 -4.765 -1.535
307 HA PHE 42 HA PHE 42 1.495 -5.243 1.165
308 1HB PHE 42 1HB PHE 42 2.203 -7.442 -0.506
309 2HB PHE 42 2HB PHE 42 1.079 -7.412 0.825
310 HD1 PHE 42 HD1 PHE 42 1.011 -6.343 -2.775
311 HD2 PHE 42 HD2 PHE 42 -0.967 -8.282 0.447
312 HE1 PHE 42 HE1 PHE 42 -0.896 -6.888 -4.248
313 HE2 PHE 42 HE2 PHE 42 -2.858 -8.824 -1.019
314 HZ PHE 42 HZ PHE 42 -2.812 -8.125 -3.375
315 H SER 43 H SER 43 3.676 -5.784 1.261
316 HA SER 43 HA SER 43 5.406 -4.202 -0.427
317 1HB SER 43 1HB SER 43 6.111 -6.102 1.852
318 2HB SER 43 2HB SER 43 6.990 -4.717 1.234
319 HG SER 43 HG SER 43 5.925 -3.545 2.547
320 H ASP 44 H ASP 44 7.509 -5.412 -0.899
321 HA ASP 44 HA ASP 44 6.818 -7.848 -2.485
322 1HB ASP 44 1HB ASP 44 8.192 -5.537 -3.225
323 2HB ASP 44 2HB ASP 44 9.506 -6.658 -2.931
324 H ASP 45 H ASP 45 8.461 -6.966 0.310
325 HA ASP 45 HA ASP 45 10.371 -9.203 0.280
326 1HB ASP 45 1HB ASP 45 11.012 -8.349 2.519
327 2HB ASP 45 2HB ASP 45 10.947 -7.031 1.364
328 H GLY 46 H GLY 46 7.204 -9.302 0.442
329 1HA GLY 46 1HA GLY 46 5.756 -10.918 1.102
330 2HA GLY 46 2HA GLY 46 7.080 -11.745 1.935
331 H THR 47 H THR 47 5.399 -8.627 2.198
332 HA THR 47 HA THR 47 4.473 -9.166 4.841
333 HB THR 47 HB THR 47 6.507 -6.973 4.215
334 HG1 THR 47 HG1 THR 47 6.424 -9.301 5.819
335 1HG2 THR 47 1HG2 THR 47 5.119 -7.601 6.900
336 2HG2 THR 47 2HG2 THR 47 6.334 -6.359 6.651
337 3HG2 THR 47 3HG2 THR 47 4.743 -6.182 5.935
338 H PHE 48 H PHE 48 2.425 -8.596 4.649
339 HA PHE 48 HA PHE 48 1.407 -6.816 2.663
340 1HB PHE 48 1HB PHE 48 0.043 -8.613 3.670
341 2HB PHE 48 2HB PHE 48 0.160 -7.854 5.244
342 HD1 PHE 48 HD1 PHE 48 -0.769 -6.665 1.781
343 HD2 PHE 48 HD2 PHE 48 -1.842 -6.849 5.897
344 HE1 PHE 48 HE1 PHE 48 -2.809 -5.403 1.306
345 HE2 PHE 48 HE2 PHE 48 -3.882 -5.580 5.416
346 HZ PHE 48 HZ PHE 48 -4.375 -4.855 3.118
347 H VAL 49 H VAL 49 0.639 -4.701 2.779
348 HA VAL 49 HA VAL 49 1.734 -3.128 5.088
349 HB VAL 49 HB VAL 49 0.807 -2.116 2.336
350 1HG1 VAL 49 1HG1 VAL 49 2.400 -0.802 4.580
351 2HG1 VAL 49 2HG1 VAL 49 2.023 -0.046 3.045
352 3HG1 VAL 49 3HG1 VAL 49 0.734 -0.424 4.173
353 1HG2 VAL 49 1HG2 VAL 49 3.632 -2.629 3.361
354 2HG2 VAL 49 2HG2 VAL 49 2.818 -3.579 2.129
355 3HG2 VAL 49 3HG2 VAL 49 3.224 -1.903 1.817
356 H CYS 50 H CYS 50 -1.039 -2.510 2.825
357 HA CYS 50 HA CYS 50 -2.977 -3.077 4.886
358 1HB CYS 50 1HB CYS 50 -3.768 -0.840 5.357
359 2HB CYS 50 2HB CYS 50 -2.149 -1.037 5.900
360 H GLU 51 H GLU 51 -5.144 -2.014 4.251
361 HA GLU 51 HA GLU 51 -5.487 -2.632 1.389
362 1HB GLU 51 1HB GLU 51 -7.097 -3.836 2.518
363 2HB GLU 51 2HB GLU 51 -7.191 -2.703 3.845
364 1HG GLU 51 1HG GLU 51 -8.742 -1.311 2.750
365 2HG GLU 51 2HG GLU 51 -8.390 -1.909 1.151
366 H GLY 52 H GLY 52 -6.126 -1.329 -0.097
367 1HA GLY 52 1HA GLY 52 -5.759 1.462 0.067
368 2HA GLY 52 2HA GLY 52 -6.577 0.643 -1.254
369 H GLU 53 H GLU 53 -7.490 3.022 -0.681
370 HA GLU 53 HA GLU 53 -10.234 2.555 0.104
371 1HB GLU 53 1HB GLU 53 -10.084 4.316 2.048
372 2HB GLU 53 2HB GLU 53 -9.508 2.705 2.365
373 1HG GLU 53 1HG GLU 53 -7.958 4.535 3.193
374 2HG GLU 53 2HG GLU 53 -7.183 3.361 2.157
375 H SER 54 H SER 54 -8.672 3.708 -2.129
376 HA SER 54 HA SER 54 -8.575 5.630 -3.473
377 1HB SER 54 1HB SER 54 -10.935 6.335 -4.096
378 2HB SER 54 2HB SER 54 -10.842 4.583 -3.914
379 HG SER 54 HG SER 54 -11.681 4.742 -1.887
Start of MODEL 2
1 1H MET 1 1H MET 1 -9.845 10.789 2.569
2 2H MET 1 2H MET 1 -9.774 9.707 3.877
3 3H MET 1 3H MET 1 -8.360 10.103 3.020
4 HA MET 1 HA MET 1 -8.892 8.037 2.224
5 1HB MET 1 1HB MET 1 -11.258 7.447 1.529
6 2HB MET 1 2HB MET 1 -11.167 7.876 3.224
7 1HG MET 1 1HG MET 1 -11.909 10.179 2.664
8 2HG MET 1 2HG MET 1 -11.996 9.754 0.979
9 1HE MET 1 1HE MET 1 -13.780 8.906 -0.207
10 2HE MET 1 2HE MET 1 -13.710 7.262 0.470
11 3HE MET 1 3HE MET 1 -15.229 8.148 0.408
12 H LYS 2 H LYS 2 -8.628 10.906 1.184
13 HA LYS 2 HA LYS 2 -9.475 10.745 -1.607
14 1HB LYS 2 1HB LYS 2 -7.646 12.726 -0.193
15 2HB LYS 2 2HB LYS 2 -8.278 12.923 -1.819
16 1HG LYS 2 1HG LYS 2 -10.604 12.859 -0.923
17 2HG LYS 2 2HG LYS 2 -9.977 12.676 0.707
18 1HD LYS 2 1HD LYS 2 -8.791 14.862 0.494
19 2HD LYS 2 2HD LYS 2 -9.447 15.056 -1.122
20 1HE LYS 2 1HE LYS 2 -11.112 14.810 1.423
21 2HE LYS 2 2HE LYS 2 -10.803 16.304 0.551
22 1HZ LYS 2 1HZ LYS 2 -11.810 15.130 -1.428
23 2HZ LYS 2 2HZ LYS 2 -12.375 13.969 -0.324
24 3HZ LYS 2 3HZ LYS 2 -12.867 15.588 -0.179
25 H ALA 3 H ALA 3 -8.270 10.329 -3.368
26 HA ALA 3 HA ALA 3 -6.142 8.587 -3.237
27 1HB ALA 3 1HB ALA 3 -7.058 10.344 -5.538
28 2HB ALA 3 2HB ALA 3 -5.981 8.965 -5.711
29 3HB ALA 3 3HB ALA 3 -7.632 8.727 -5.164
30 H CYS 4 H CYS 4 -4.396 9.277 -2.117
31 HA CYS 4 HA CYS 4 -3.116 11.813 -2.258
32 1HB CYS 4 1HB CYS 4 -2.484 9.109 -1.198
33 2HB CYS 4 2HB CYS 4 -1.146 10.194 -1.295
34 H THR 5 H THR 5 -0.546 11.418 -2.471
35 HA THR 5 HA THR 5 0.345 12.099 -4.907
36 HB THR 5 HB THR 5 1.846 12.066 -2.960
37 HG1 THR 5 HG1 THR 5 3.645 11.072 -4.009
38 1HG2 THR 5 1HG2 THR 5 1.971 9.044 -3.258
39 2HG2 THR 5 2HG2 THR 5 2.898 10.024 -2.143
40 3HG2 THR 5 3HG2 THR 5 1.163 9.879 -1.949
41 H LEU 6 H LEU 6 -0.541 8.922 -4.166
42 HA LEU 6 HA LEU 6 -0.500 6.924 -5.275
43 1HB LEU 6 1HB LEU 6 -0.826 6.945 -7.737
44 2HB LEU 6 2HB LEU 6 -1.945 7.933 -6.851
45 HG LEU 6 HG LEU 6 -0.657 9.885 -7.445
46 1HD1 LEU 6 1HD1 LEU 6 1.558 8.791 -8.166
47 2HD1 LEU 6 2HD1 LEU 6 0.702 7.978 -9.454
48 3HD1 LEU 6 3HD1 LEU 6 0.889 9.721 -9.484
49 1HD2 LEU 6 1HD2 LEU 6 -1.836 8.253 -9.716
50 2HD2 LEU 6 2HD2 LEU 6 -2.704 9.325 -8.628
51 3HD2 LEU 6 3HD2 LEU 6 -1.570 9.988 -9.790
52 H ASN 7 H ASN 7 2.203 8.766 -4.963
53 HA ASN 7 HA ASN 7 3.891 7.550 -6.867
54 1HB ASN 7 1HB ASN 7 4.404 9.111 -4.307
55 2HB ASN 7 2HB ASN 7 5.727 8.485 -5.272
56 1HD2 ASN 7 2HD2 ASN 7 3.218 9.334 -7.410
57 2HD2 ASN 7 1HD2 ASN 7 3.770 10.890 -7.801
58 H CYS 8 H CYS 8 5.797 6.253 -6.084
59 HA CYS 8 HA CYS 8 4.865 3.846 -4.793
60 1HB CYS 8 1HB CYS 8 7.771 4.076 -4.888
61 2HB CYS 8 2HB CYS 8 6.714 2.907 -5.607
62 H ASP 9 H ASP 9 4.823 3.311 -2.726
63 HA ASP 9 HA ASP 9 6.210 5.055 -0.752
64 1HB ASP 9 1HB ASP 9 3.769 4.655 -0.457
65 2HB ASP 9 2HB ASP 9 4.060 2.940 -0.420
66 HA PRO 10 HA PRO 10 9.428 2.068 -0.739
67 1HB PRO 10 1HB PRO 10 10.215 2.364 2.008
68 2HB PRO 10 2HB PRO 10 10.919 3.141 0.598
69 1HG PRO 10 1HG PRO 10 9.104 4.267 2.610
70 2HG PRO 10 2HG PRO 10 10.093 5.106 1.424
71 1HD PRO 10 1HD PRO 10 7.288 4.830 1.317
72 2HD PRO 10 2HD PRO 10 8.319 5.312 -0.041
73 H ARG 11 H ARG 11 7.098 1.961 1.763
74 HA ARG 11 HA ARG 11 7.616 -0.781 2.628
75 1HB ARG 11 1HB ARG 11 5.101 0.868 3.104
76 2HB ARG 11 2HB ARG 11 5.657 -0.502 4.032
77 1HG ARG 11 1HG ARG 11 7.562 0.699 4.908
78 2HG ARG 11 2HG ARG 11 7.298 2.057 3.832
79 1HD ARG 11 1HD ARG 11 5.348 1.201 6.018
80 2HD ARG 11 2HD ARG 11 6.480 2.536 6.125
81 HE ARG 11 HE ARG 11 5.272 3.710 4.386
82 1HH1 ARG 11 1HH1 ARG 11 3.717 0.785 5.470
83 2HH1 ARG 11 2HH1 ARG 11 2.183 1.263 4.832
84 1HH2 ARG 11 1HH2 ARG 11 3.341 4.292 3.584
85 2HH2 ARG 11 2HH2 ARG 11 1.964 3.255 3.752
86 H ILE 12 H ILE 12 5.475 0.865 0.410
87 HA ILE 12 HA ILE 12 3.926 -1.554 -0.200
88 HB ILE 12 HB ILE 12 3.878 1.160 -1.540
89 1HG1 ILE 12 1HG1 ILE 12 3.381 1.454 0.844
90 2HG1 ILE 12 2HG1 ILE 12 1.934 1.708 -0.111
91 1HG2 ILE 12 1HG2 ILE 12 1.821 -1.093 -1.553
92 2HG2 ILE 12 2HG2 ILE 12 1.563 0.506 -2.230
93 3HG2 ILE 12 3HG2 ILE 12 2.778 -0.551 -2.918
94 1HD1 ILE 12 1HD1 ILE 12 2.664 -0.795 1.404
95 2HD1 ILE 12 2HD1 ILE 12 1.479 0.411 1.895
96 3HD1 ILE 12 3HD1 ILE 12 1.189 -0.573 0.466
97 H ALA 13 H ALA 13 3.884 -2.631 -2.008
98 HA ALA 13 HA ALA 13 6.090 -2.237 -4.004
99 1HB ALA 13 1HB ALA 13 6.346 -4.254 -2.618
100 2HB ALA 13 2HB ALA 13 4.768 -4.840 -3.128
101 3HB ALA 13 3HB ALA 13 6.066 -4.702 -4.292
102 H TYR 14 H TYR 14 2.954 -3.781 -3.525
103 HA TYR 14 HA TYR 14 1.743 -2.408 -5.784
104 1HB TYR 14 1HB TYR 14 1.272 -4.566 -7.072
105 2HB TYR 14 2HB TYR 14 2.959 -4.119 -7.061
106 HD1 TYR 14 HD1 TYR 14 4.564 -5.388 -5.660
107 HD2 TYR 14 HD2 TYR 14 0.483 -6.525 -5.932
108 HE1 TYR 14 HE1 TYR 14 5.120 -7.559 -4.731
109 HE2 TYR 14 HE2 TYR 14 1.020 -8.707 -5.006
110 HH TYR 14 HH TYR 14 3.157 -10.199 -4.901
111 H GLY 15 H GLY 15 -0.461 -3.857 -6.224
112 1HA GLY 15 1HA GLY 15 -1.469 -4.947 -3.724
113 2HA GLY 15 2HA GLY 15 -2.138 -3.367 -4.093
114 H VAL 16 H VAL 16 -3.605 -5.613 -3.674
115 HA VAL 16 HA VAL 16 -4.778 -6.223 -6.377
116 HB VAL 16 HB VAL 16 -4.566 -7.904 -3.846
117 1HG1 VAL 16 1HG1 VAL 16 -6.261 -8.519 -6.290
118 2HG1 VAL 16 2HG1 VAL 16 -5.962 -9.625 -4.962
119 3HG1 VAL 16 3HG1 VAL 16 -6.900 -8.171 -4.693
120 1HG2 VAL 16 1HG2 VAL 16 -2.678 -7.974 -5.468
121 2HG2 VAL 16 2HG2 VAL 16 -3.510 -9.518 -5.427
122 3HG2 VAL 16 3HG2 VAL 16 -3.789 -8.405 -6.755
123 H CYS 17 H CYS 17 -6.527 -5.071 -6.690
124 HA CYS 17 HA CYS 17 -8.349 -4.423 -4.418
125 1HB CYS 17 1HB CYS 17 -7.983 -3.081 -7.094
126 2HB CYS 17 2HB CYS 17 -9.154 -2.578 -5.918
127 HA PRO 18 HA PRO 18 -11.741 -6.753 -6.077
128 1HB PRO 18 1HB PRO 18 -13.579 -4.471 -5.982
129 2HB PRO 18 2HB PRO 18 -13.588 -5.952 -5.039
130 1HG PRO 18 1HG PRO 18 -12.816 -3.381 -4.134
131 2HG PRO 18 2HG PRO 18 -12.616 -4.895 -3.268
132 1HD PRO 18 1HD PRO 18 -10.560 -3.251 -4.507
133 2HD PRO 18 2HD PRO 18 -10.349 -4.708 -3.523
134 H ARG 19 H ARG 19 -12.708 -7.141 -8.000
135 HA ARG 19 HA ARG 19 -12.969 -7.120 -10.296
136 1HB ARG 19 1HB ARG 19 -13.763 -4.355 -9.346
137 2HB ARG 19 2HB ARG 19 -13.560 -4.531 -11.071
138 1HG ARG 19 1HG ARG 19 -15.879 -4.961 -10.499
139 2HG ARG 19 2HG ARG 19 -15.150 -6.447 -11.072
140 1HD ARG 19 1HD ARG 19 -14.857 -7.243 -8.741
141 2HD ARG 19 2HD ARG 19 -15.493 -5.729 -8.113
142 HE ARG 19 HE ARG 19 -17.027 -7.928 -9.278
143 1HH1 ARG 19 1HH1 ARG 19 -16.962 -4.536 -8.551
144 2HH1 ARG 19 2HH1 ARG 19 -18.687 -4.396 -8.530
145 1HH2 ARG 19 1HH2 ARG 19 -19.208 -7.768 -9.260
146 2HH2 ARG 19 2HH2 ARG 19 -19.979 -6.250 -8.940
147 H SER 20 H SER 20 -10.397 -6.718 -9.186
148 HA SER 20 HA SER 20 -8.803 -6.344 -11.538
149 1HB SER 20 1HB SER 20 -7.528 -4.269 -10.670
150 2HB SER 20 2HB SER 20 -9.202 -3.881 -11.075
151 HG SER 20 HG SER 20 -9.536 -4.629 -8.745
152 H GLU 21 H GLU 21 -8.849 -8.434 -10.341
153 HA GLU 21 HA GLU 21 -7.415 -8.738 -7.913
154 1HB GLU 21 1HB GLU 21 -8.436 -10.663 -10.018
155 2HB GLU 21 2HB GLU 21 -7.561 -11.234 -8.612
156 1HG GLU 21 1HG GLU 21 -10.046 -11.296 -8.278
157 2HG GLU 21 2HG GLU 21 -9.238 -10.289 -7.098
158 H GLU 22 H GLU 22 -6.498 -10.647 -10.714
159 HA GLU 22 HA GLU 22 -4.478 -11.059 -11.751
160 1HB GLU 22 1HB GLU 22 -4.599 -8.296 -11.567
161 2HB GLU 22 2HB GLU 22 -3.101 -8.597 -10.727
162 1HG GLU 22 1HG GLU 22 -3.740 -9.696 -13.502
163 2HG GLU 22 2HG GLU 22 -2.867 -8.201 -13.224
164 H LYS 23 H LYS 23 -2.759 -12.228 -11.282
165 HA LYS 23 HA LYS 23 -2.233 -13.083 -8.633
166 1HB LYS 23 1HB LYS 23 -1.872 -14.524 -10.602
167 2HB LYS 23 2HB LYS 23 -0.688 -13.415 -11.242
168 1HG LYS 23 1HG LYS 23 0.640 -15.134 -10.397
169 2HG LYS 23 2HG LYS 23 0.732 -13.972 -9.110
170 1HD LYS 23 1HD LYS 23 -1.094 -16.412 -9.161
171 2HD LYS 23 2HD LYS 23 0.418 -16.303 -8.292
172 1HE LYS 23 1HE LYS 23 -0.613 -14.369 -6.951
173 2HE LYS 23 2HE LYS 23 -2.149 -14.802 -7.705
174 1HZ LYS 23 1HZ LYS 23 -1.962 -17.006 -6.849
175 2HZ LYS 23 2HZ LYS 23 -0.478 -16.631 -6.114
176 3HZ LYS 23 3HZ LYS 23 -1.901 -15.863 -5.593
177 H LYS 24 H LYS 24 -0.808 -10.642 -10.564
178 HA LYS 24 HA LYS 24 0.624 -8.900 -10.118
179 1HB LYS 24 1HB LYS 24 0.872 -9.883 -7.232
180 2HB LYS 24 2HB LYS 24 1.206 -8.287 -7.822
181 1HG LYS 24 1HG LYS 24 -1.513 -9.645 -7.622
182 2HG LYS 24 2HG LYS 24 -0.923 -8.325 -6.652
183 1HD LYS 24 1HD LYS 24 -1.353 -8.092 -9.659
184 2HD LYS 24 2HD LYS 24 -2.542 -7.622 -8.472
185 1HE LYS 24 1HE LYS 24 -1.356 -5.632 -9.154
186 2HE LYS 24 2HE LYS 24 -0.855 -5.990 -7.514
187 1HZ LYS 24 1HZ LYS 24 0.783 -7.199 -9.555
188 2HZ LYS 24 2HZ LYS 24 0.809 -5.505 -9.540
189 3HZ LYS 24 3HZ LYS 24 1.227 -6.370 -8.142
190 H ASN 25 H ASN 25 2.443 -8.998 -11.012
191 HA ASN 25 HA ASN 25 4.679 -10.477 -9.854
192 1HB ASN 25 1HB ASN 25 3.224 -11.229 -12.362
193 2HB ASN 25 2HB ASN 25 4.953 -11.077 -12.613
194 1HD2 ASN 25 2HD2 ASN 25 2.510 -12.773 -10.662
195 2HD2 ASN 25 1HD2 ASN 25 3.515 -14.075 -10.239
196 H ASP 26 H ASP 26 4.206 -7.884 -9.669
197 HA ASP 26 HA ASP 26 6.453 -6.618 -10.867
198 1HB ASP 26 1HB ASP 26 5.241 -6.268 -12.906
199 2HB ASP 26 2HB ASP 26 3.704 -6.110 -12.076
200 H ARG 27 H ARG 27 7.014 -5.146 -9.556
201 HA ARG 27 HA ARG 27 5.327 -4.336 -7.276
202 1HB ARG 27 1HB ARG 27 7.573 -5.018 -6.688
203 2HB ARG 27 2HB ARG 27 8.283 -4.067 -7.969
204 1HG ARG 27 1HG ARG 27 6.757 -2.322 -6.167
205 2HG ARG 27 2HG ARG 27 7.868 -3.289 -5.235
206 1HD ARG 27 1HD ARG 27 8.653 -1.596 -7.656
207 2HD ARG 27 2HD ARG 27 8.893 -1.146 -5.969
208 HE ARG 27 HE ARG 27 10.035 -3.731 -6.455
209 1HH1 ARG 27 1HH1 ARG 27 10.513 -0.359 -7.085
210 2HH1 ARG 27 2HH1 ARG 27 12.233 -0.509 -7.204
211 1HH2 ARG 27 1HH2 ARG 27 12.204 -3.948 -6.600
212 2HH2 ARG 27 2HH2 ARG 27 13.208 -2.574 -6.926
213 H ILE 28 H ILE 28 3.915 -3.068 -8.174
214 HA ILE 28 HA ILE 28 4.229 -1.016 -10.082
215 HB ILE 28 HB ILE 28 2.072 -0.931 -7.997
216 1HG1 ILE 28 1HG1 ILE 28 1.745 -2.785 -10.411
217 2HG1 ILE 28 2HG1 ILE 28 2.428 -3.501 -8.989
218 1HG2 ILE 28 1HG2 ILE 28 2.076 -0.579 -11.000
219 2HG2 ILE 28 2HG2 ILE 28 0.650 -0.436 -9.985
220 3HG2 ILE 28 3HG2 ILE 28 1.941 0.714 -9.821
221 1HD1 ILE 28 1HD1 ILE 28 0.420 -2.751 -7.685
222 2HD1 ILE 28 2HD1 ILE 28 -0.293 -2.162 -9.172
223 3HD1 ILE 28 3HD1 ILE 28 0.047 -3.868 -8.979
224 H CYS 29 H CYS 29 3.335 1.286 -9.232
225 HA CYS 29 HA CYS 29 5.046 2.185 -6.956
226 1HB CYS 29 1HB CYS 29 5.944 2.888 -9.118
227 2HB CYS 29 2HB CYS 29 4.406 3.573 -9.573
228 H THR 30 H THR 30 3.555 2.323 -5.384
229 HA THR 30 HA THR 30 1.621 4.492 -5.496
230 HB THR 30 HB THR 30 0.294 2.723 -6.659
231 HG1 THR 30 HG1 THR 30 -0.478 4.141 -4.809
232 1HG2 THR 30 1HG2 THR 30 1.430 0.691 -5.596
233 2HG2 THR 30 2HG2 THR 30 0.634 1.093 -4.082
234 3HG2 THR 30 3HG2 THR 30 -0.320 0.637 -5.483
235 H ASN 31 H ASN 31 0.342 4.627 -3.498
236 HA ASN 31 HA ASN 31 1.792 3.639 -1.083
237 1HB ASN 31 1HB ASN 31 1.273 5.916 -0.047
238 2HB ASN 31 2HB ASN 31 2.417 6.016 -1.363
239 1HD2 ASN 31 2HD2 ASN 31 -0.109 7.641 -0.189
240 2HD2 ASN 31 1HD2 ASN 31 -0.665 8.297 -1.652
241 H CYS 32 H CYS 32 0.447 4.025 0.913
242 HA CYS 32 HA CYS 32 -1.931 2.495 0.789
243 1HB CYS 32 1HB CYS 32 -0.446 2.815 2.782
244 2HB CYS 32 2HB CYS 32 -1.098 4.415 2.987
245 H CYS 33 H CYS 33 -1.734 5.934 1.685
246 HA CYS 33 HA CYS 33 -4.476 6.496 1.706
247 1HB CYS 33 1HB CYS 33 -3.041 8.052 2.668
248 2HB CYS 33 2HB CYS 33 -2.081 8.212 1.219
249 H ALA 34 H ALA 34 -2.404 6.239 -1.057
250 HA ALA 34 HA ALA 34 -4.169 7.662 -2.888
251 1HB ALA 34 1HB ALA 34 -1.910 5.720 -3.445
252 2HB ALA 34 2HB ALA 34 -2.703 6.733 -4.646
253 3HB ALA 34 3HB ALA 34 -1.791 7.474 -3.344
254 H GLY 35 H GLY 35 -3.681 4.301 -2.044
255 1HA GLY 35 1HA GLY 35 -5.242 3.133 -4.030
256 2HA GLY 35 2HA GLY 35 -4.867 2.382 -2.501
257 H THR 36 H THR 36 -7.119 1.563 -3.212
258 HA THR 36 HA THR 36 -9.243 3.290 -2.073
259 HB THR 36 HB THR 36 -9.931 0.862 -3.707
260 HG1 THR 36 HG1 THR 36 -8.307 2.024 -4.877
261 1HG2 THR 36 1HG2 THR 36 -11.031 3.725 -3.676
262 2HG2 THR 36 2HG2 THR 36 -11.720 2.370 -4.556
263 3HG2 THR 36 3HG2 THR 36 -11.767 2.386 -2.809
264 H LYS 37 H LYS 37 -11.097 1.827 -1.267
265 HA LYS 37 HA LYS 37 -10.025 0.173 0.923
266 1HB LYS 37 1HB LYS 37 -11.744 1.536 1.738
267 2HB LYS 37 2HB LYS 37 -12.614 1.529 0.229
268 1HG LYS 37 1HG LYS 37 -13.976 0.384 1.846
269 2HG LYS 37 2HG LYS 37 -13.419 -0.808 0.701
270 1HD LYS 37 1HD LYS 37 -13.224 -1.729 2.958
271 2HD LYS 37 2HD LYS 37 -11.603 -1.473 2.365
272 1HE LYS 37 1HE LYS 37 -11.451 0.661 3.630
273 2HE LYS 37 2HE LYS 37 -13.078 0.399 4.244
274 1HZ LYS 37 1HZ LYS 37 -12.244 -1.755 5.127
275 2HZ LYS 37 2HZ LYS 37 -10.676 -1.260 4.705
276 3HZ LYS 37 3HZ LYS 37 -11.567 -0.374 5.849
277 H GLY 38 H GLY 38 -10.409 -1.999 1.152
278 1HA GLY 38 1HA GLY 38 -11.327 -4.136 0.588
279 2HA GLY 38 2HA GLY 38 -11.815 -3.498 -0.983
280 H CYS 39 H CYS 39 -9.130 -2.133 -1.127
281 HA CYS 39 HA CYS 39 -7.752 -4.096 -2.654
282 1HB CYS 39 1HB CYS 39 -6.795 -1.468 -1.514
283 2HB CYS 39 2HB CYS 39 -5.970 -2.381 -2.736
284 H LYS 40 H LYS 40 -5.382 -4.446 -2.328
285 HA LYS 40 HA LYS 40 -4.614 -4.929 0.494
286 1HB LYS 40 1HB LYS 40 -4.519 -7.097 -1.672
287 2HB LYS 40 2HB LYS 40 -4.028 -7.268 0.002
288 1HG LYS 40 1HG LYS 40 -6.434 -6.734 0.672
289 2HG LYS 40 2HG LYS 40 -6.857 -6.713 -1.027
290 1HD LYS 40 1HD LYS 40 -7.491 -8.858 -0.367
291 2HD LYS 40 2HD LYS 40 -5.941 -9.126 -1.132
292 1HE LYS 40 1HE LYS 40 -6.293 -8.762 1.867
293 2HE LYS 40 2HE LYS 40 -6.246 -10.332 1.078
294 1HZ LYS 40 1HZ LYS 40 -4.038 -9.350 0.123
295 2HZ LYS 40 2HZ LYS 40 -4.104 -8.416 1.541
296 3HZ LYS 40 3HZ LYS 40 -4.092 -10.111 1.639
297 H TYR 41 H TYR 41 -3.222 -3.185 0.077
298 HA TYR 41 HA TYR 41 -1.214 -3.346 -2.019
299 1HB TYR 41 1HB TYR 41 -1.953 -1.361 0.159
300 2HB TYR 41 2HB TYR 41 -0.458 -1.196 -0.728
301 HD1 TYR 41 HD1 TYR 41 -3.519 -2.486 -2.443
302 HD2 TYR 41 HD2 TYR 41 -1.098 0.939 -1.654
303 HE1 TYR 41 HE1 TYR 41 -4.641 -1.277 -4.224
304 HE2 TYR 41 HE2 TYR 41 -2.245 2.140 -3.447
305 HH TYR 41 HH TYR 41 -5.096 1.221 -4.756
306 H PHE 42 H PHE 42 0.291 -4.855 -1.660
307 HA PHE 42 HA PHE 42 1.514 -5.070 1.039
308 1HB PHE 42 1HB PHE 42 2.309 -7.333 -0.448
309 2HB PHE 42 2HB PHE 42 1.161 -7.236 0.850
310 HD1 PHE 42 HD1 PHE 42 1.145 -6.477 -2.846
311 HD2 PHE 42 HD2 PHE 42 -0.815 -8.175 0.528
312 HE1 PHE 42 HE1 PHE 42 -0.707 -7.261 -4.288
313 HE2 PHE 42 HE2 PHE 42 -2.645 -8.955 -0.915
314 HZ PHE 42 HZ PHE 42 -2.584 -8.496 -3.307
315 H SER 43 H SER 43 3.611 -5.766 1.189
316 HA SER 43 HA SER 43 5.488 -4.149 -0.211
317 1HB SER 43 1HB SER 43 5.924 -6.555 1.626
318 2HB SER 43 2HB SER 43 7.070 -5.292 1.244
319 HG SER 43 HG SER 43 6.080 -3.918 2.467
320 H ASP 44 H ASP 44 7.571 -5.330 -0.803
321 HA ASP 44 HA ASP 44 7.055 -6.795 -3.259
322 1HB ASP 44 1HB ASP 44 9.152 -5.198 -2.324
323 2HB ASP 44 2HB ASP 44 9.874 -6.793 -2.275
324 H ASP 45 H ASP 45 8.110 -7.545 -0.067
325 HA ASP 45 HA ASP 45 8.980 -10.249 -0.489
326 1HB ASP 45 1HB ASP 45 9.646 -8.953 1.500
327 2HB ASP 45 2HB ASP 45 7.973 -8.793 2.000
328 H GLY 46 H GLY 46 5.883 -8.829 -0.509
329 1HA GLY 46 1HA GLY 46 3.859 -9.768 -0.956
330 2HA GLY 46 2HA GLY 46 4.583 -11.391 -0.800
331 H THR 47 H THR 47 3.786 -8.500 1.031
332 HA THR 47 HA THR 47 2.590 -9.976 3.163
333 HB THR 47 HB THR 47 5.041 -8.175 3.546
334 HG1 THR 47 HG1 THR 47 4.473 -10.929 3.822
335 1HG2 THR 47 1HG2 THR 47 3.434 -9.755 5.658
336 2HG2 THR 47 2HG2 THR 47 4.858 -8.779 5.985
337 3HG2 THR 47 3HG2 THR 47 3.357 -8.006 5.507
338 H PHE 48 H PHE 48 0.774 -9.006 3.372
339 HA PHE 48 HA PHE 48 -0.124 -6.619 2.291
340 1HB PHE 48 1HB PHE 48 -1.653 -8.317 3.101
341 2HB PHE 48 2HB PHE 48 -1.105 -8.108 4.753
342 HD1 PHE 48 HD1 PHE 48 -1.593 -5.964 5.956
343 HD2 PHE 48 HD2 PHE 48 -3.330 -6.798 2.154
344 HE1 PHE 48 HE1 PHE 48 -3.242 -4.203 6.337
345 HE2 PHE 48 HE2 PHE 48 -4.993 -5.035 2.552
346 HZ PHE 48 HZ PHE 48 -4.936 -3.723 4.641
347 H VAL 49 H VAL 49 0.407 -4.627 2.575
348 HA VAL 49 HA VAL 49 1.396 -3.662 5.228
349 HB VAL 49 HB VAL 49 1.488 -2.307 2.522
350 1HG1 VAL 49 1HG1 VAL 49 2.910 -1.637 5.145
351 2HG1 VAL 49 2HG1 VAL 49 3.170 -0.808 3.621
352 3HG1 VAL 49 3HG1 VAL 49 1.615 -0.698 4.419
353 1HG2 VAL 49 1HG2 VAL 49 3.669 -3.799 4.019
354 2HG2 VAL 49 2HG2 VAL 49 2.886 -4.329 2.539
355 3HG2 VAL 49 3HG2 VAL 49 3.881 -2.889 2.529
356 H CYS 50 H CYS 50 -0.980 -2.923 2.687
357 HA CYS 50 HA CYS 50 -2.739 -1.608 4.631
358 1HB CYS 50 1HB CYS 50 -1.043 -0.240 2.763
359 2HB CYS 50 2HB CYS 50 -2.700 0.221 2.546
360 H GLU 51 H GLU 51 -4.672 -0.736 3.371
361 HA GLU 51 HA GLU 51 -5.399 -2.517 1.093
362 1HB GLU 51 1HB GLU 51 -6.596 -3.547 2.946
363 2HB GLU 51 2HB GLU 51 -6.836 -2.021 3.763
364 1HG GLU 51 1HG GLU 51 -8.709 -1.445 2.462
365 2HG GLU 51 2HG GLU 51 -8.261 -2.463 1.115
366 H GLY 52 H GLY 52 -4.357 -0.352 0.453
367 1HA GLY 52 1HA GLY 52 -4.536 1.797 -0.456
368 2HA GLY 52 2HA GLY 52 -6.148 1.286 -0.915
369 H GLU 53 H GLU 53 -7.444 2.989 -0.349
370 HA GLU 53 HA GLU 53 -7.910 3.592 2.422
371 1HB GLU 53 1HB GLU 53 -5.675 4.863 1.692
372 2HB GLU 53 2HB GLU 53 -6.776 5.993 0.948
373 1HG GLU 53 1HG GLU 53 -6.262 6.794 3.197
374 2HG GLU 53 2HG GLU 53 -7.929 6.250 3.209
375 H SER 54 H SER 54 -9.401 3.010 -0.038
376 HA SER 54 HA SER 54 -11.388 3.620 -1.094
377 1HB SER 54 1HB SER 54 -12.046 3.631 1.408
378 2HB SER 54 2HB SER 54 -11.848 5.383 1.381
379 HG SER 54 HG SER 54 -13.375 5.524 -0.214
Start of MODEL 3
1 1H MET 1 1H MET 1 -11.950 9.348 -0.169
2 2H MET 1 2H MET 1 -11.058 10.743 0.194
3 3H MET 1 3H MET 1 -12.736 10.723 0.444
4 HA MET 1 HA MET 1 -13.248 10.944 -1.727
5 1HB MET 1 1HB MET 1 -11.669 12.638 -2.732
6 2HB MET 1 2HB MET 1 -12.083 12.988 -1.073
7 1HG MET 1 1HG MET 1 -9.708 13.350 -1.511
8 2HG MET 1 2HG MET 1 -9.949 12.154 -0.280
9 1HE MET 1 1HE MET 1 -9.531 9.752 -0.448
10 2HE MET 1 2HE MET 1 -8.183 9.141 -1.367
11 3HE MET 1 3HE MET 1 -7.913 10.429 -0.193
12 H LYS 2 H LYS 2 -12.164 11.126 -4.075
13 HA LYS 2 HA LYS 2 -11.454 8.431 -4.796
14 1HB LYS 2 1HB LYS 2 -12.943 10.119 -6.035
15 2HB LYS 2 2HB LYS 2 -11.482 10.929 -6.538
16 1HG LYS 2 1HG LYS 2 -12.221 8.042 -7.135
17 2HG LYS 2 2HG LYS 2 -12.331 9.378 -8.260
18 1HD LYS 2 1HD LYS 2 -9.816 9.692 -8.046
19 2HD LYS 2 2HD LYS 2 -9.774 8.221 -7.075
20 1HE LYS 2 1HE LYS 2 -10.805 6.948 -8.865
21 2HE LYS 2 2HE LYS 2 -10.854 8.396 -9.876
22 1HZ LYS 2 1HZ LYS 2 -8.307 7.513 -8.705
23 2HZ LYS 2 2HZ LYS 2 -8.899 6.747 -10.100
24 3HZ LYS 2 3HZ LYS 2 -8.586 8.415 -10.115
25 H ALA 3 H ALA 3 -9.539 7.896 -4.056
26 HA ALA 3 HA ALA 3 -7.267 7.645 -3.819
27 1HB ALA 3 1HB ALA 3 -7.428 7.291 -6.220
28 2HB ALA 3 2HB ALA 3 -7.282 9.014 -6.531
29 3HB ALA 3 3HB ALA 3 -5.927 8.124 -5.857
30 H CYS 4 H CYS 4 -6.046 8.545 -2.433
31 HA CYS 4 HA CYS 4 -5.924 11.285 -1.758
32 1HB CYS 4 1HB CYS 4 -4.485 8.807 -1.051
33 2HB CYS 4 2HB CYS 4 -3.584 10.241 -0.717
34 H THR 5 H THR 5 -3.541 12.178 -1.386
35 HA THR 5 HA THR 5 -2.716 13.574 -3.549
36 HB THR 5 HB THR 5 -1.023 12.657 -1.155
37 HG1 THR 5 HG1 THR 5 -3.051 13.531 -0.641
38 1HG2 THR 5 1HG2 THR 5 -1.034 15.250 -2.789
39 2HG2 THR 5 2HG2 THR 5 0.018 14.884 -1.426
40 3HG2 THR 5 3HG2 THR 5 0.219 14.023 -2.942
41 H LEU 6 H LEU 6 -0.997 13.615 -4.691
42 HA LEU 6 HA LEU 6 -0.391 11.365 -6.312
43 1HB LEU 6 1HB LEU 6 1.389 12.926 -7.325
44 2HB LEU 6 2HB LEU 6 -0.284 13.422 -7.384
45 HG LEU 6 HG LEU 6 0.064 14.797 -5.355
46 1HD1 LEU 6 1HD1 LEU 6 3.025 14.152 -5.740
47 2HD1 LEU 6 2HD1 LEU 6 2.402 15.393 -4.665
48 3HD1 LEU 6 3HD1 LEU 6 2.055 13.715 -4.343
49 1HD2 LEU 6 1HD2 LEU 6 1.891 15.437 -7.713
50 2HD2 LEU 6 2HD2 LEU 6 0.183 15.827 -7.592
51 3HD2 LEU 6 3HD2 LEU 6 1.337 16.613 -6.532
52 H ASN 7 H ASN 7 0.786 11.781 -3.280
53 HA ASN 7 HA ASN 7 3.504 11.310 -3.458
54 1HB ASN 7 1HB ASN 7 1.551 10.502 -1.253
55 2HB ASN 7 2HB ASN 7 3.291 10.611 -1.060
56 1HD2 ASN 7 2HD2 ASN 7 0.954 12.203 0.130
57 2HD2 ASN 7 1HD2 ASN 7 1.387 13.823 -0.134
58 H CYS 8 H CYS 8 4.268 9.145 -2.162
59 HA CYS 8 HA CYS 8 3.048 6.706 -3.416
60 1HB CYS 8 1HB CYS 8 5.836 7.799 -3.726
61 2HB CYS 8 2HB CYS 8 5.586 6.092 -3.750
62 H ASP 9 H ASP 9 3.963 4.788 -2.308
63 HA ASP 9 HA ASP 9 4.846 5.358 0.497
64 1HB ASP 9 1HB ASP 9 2.471 4.818 0.200
65 2HB ASP 9 2HB ASP 9 2.901 3.212 -0.346
66 HA PRO 10 HA PRO 10 8.081 2.682 -1.293
67 1HB PRO 10 1HB PRO 10 9.661 3.160 1.107
68 2HB PRO 10 2HB PRO 10 9.963 3.697 -0.537
69 1HG PRO 10 1HG PRO 10 9.080 5.288 1.655
70 2HG PRO 10 2HG PRO 10 9.256 5.796 -0.018
71 1HD PRO 10 1HD PRO 10 6.797 5.300 1.468
72 2HD PRO 10 2HD PRO 10 6.975 5.962 -0.167
73 H ARG 11 H ARG 11 6.408 2.423 1.668
74 HA ARG 11 HA ARG 11 7.552 -0.124 2.534
75 1HB ARG 11 1HB ARG 11 4.754 0.791 3.290
76 2HB ARG 11 2HB ARG 11 5.876 -0.157 4.217
77 1HG ARG 11 1HG ARG 11 7.323 1.741 4.647
78 2HG ARG 11 2HG ARG 11 6.394 2.772 3.576
79 1HD ARG 11 1HD ARG 11 5.331 1.526 6.150
80 2HD ARG 11 2HD ARG 11 5.769 3.206 5.913
81 HE ARG 11 HE ARG 11 3.907 3.487 4.395
82 1HH1 ARG 11 1HH1 ARG 11 3.997 0.380 5.968
83 2HH1 ARG 11 2HH1 ARG 11 2.333 0.060 5.629
84 1HH2 ARG 11 1HH2 ARG 11 1.809 3.067 3.967
85 2HH2 ARG 11 2HH2 ARG 11 1.086 1.580 4.486
86 H ILE 12 H ILE 12 4.880 1.011 0.608
87 HA ILE 12 HA ILE 12 3.713 -1.632 0.151
88 HB ILE 12 HB ILE 12 3.105 1.134 -0.875
89 1HG1 ILE 12 1HG1 ILE 12 1.577 -0.882 0.838
90 2HG1 ILE 12 2HG1 ILE 12 2.518 0.437 1.498
91 1HG2 ILE 12 1HG2 ILE 12 1.726 -1.489 -1.636
92 2HG2 ILE 12 2HG2 ILE 12 1.128 0.114 -2.048
93 3HG2 ILE 12 3HG2 ILE 12 2.623 -0.462 -2.737
94 1HD1 ILE 12 1HD1 ILE 12 1.080 2.044 0.290
95 2HD1 ILE 12 2HD1 ILE 12 0.111 0.701 -0.315
96 3HD1 ILE 12 3HD1 ILE 12 0.174 1.031 1.410
97 H ALA 13 H ALA 13 3.817 -2.777 -1.663
98 HA ALA 13 HA ALA 13 5.977 -2.154 -3.626
99 1HB ALA 13 1HB ALA 13 6.160 -4.309 -2.399
100 2HB ALA 13 2HB ALA 13 4.602 -4.822 -3.016
101 3HB ALA 13 3HB ALA 13 5.931 -4.602 -4.115
102 H TYR 14 H TYR 14 2.959 -3.896 -3.462
103 HA TYR 14 HA TYR 14 1.696 -2.359 -5.593
104 1HB TYR 14 1HB TYR 14 1.344 -4.590 -6.961
105 2HB TYR 14 2HB TYR 14 2.952 -3.887 -7.009
106 HD1 TYR 14 HD1 TYR 14 0.956 -6.460 -5.164
107 HD2 TYR 14 HD2 TYR 14 4.821 -5.095 -6.306
108 HE1 TYR 14 HE1 TYR 14 1.957 -8.483 -4.232
109 HE2 TYR 14 HE2 TYR 14 5.815 -7.111 -5.384
110 HH TYR 14 HH TYR 14 5.058 -8.822 -3.458
111 H GLY 15 H GLY 15 -0.443 -3.747 -6.158
112 1HA GLY 15 1HA GLY 15 -1.514 -5.067 -3.770
113 2HA GLY 15 2HA GLY 15 -2.235 -3.501 -4.124
114 H VAL 16 H VAL 16 -3.496 -5.980 -4.031
115 HA VAL 16 HA VAL 16 -4.557 -6.173 -6.840
116 HB VAL 16 HB VAL 16 -3.989 -8.449 -4.863
117 1HG1 VAL 16 1HG1 VAL 16 -5.596 -8.616 -7.439
118 2HG1 VAL 16 2HG1 VAL 16 -5.097 -9.983 -6.458
119 3HG1 VAL 16 3HG1 VAL 16 -6.242 -8.820 -5.820
120 1HG2 VAL 16 1HG2 VAL 16 -2.084 -7.801 -6.326
121 2HG2 VAL 16 2HG2 VAL 16 -2.687 -9.395 -6.751
122 3HG2 VAL 16 3HG2 VAL 16 -3.104 -8.012 -7.739
123 H CYS 17 H CYS 17 -6.697 -5.904 -6.927
124 HA CYS 17 HA CYS 17 -8.142 -5.594 -4.350
125 1HB CYS 17 1HB CYS 17 -7.922 -3.852 -6.410
126 2HB CYS 17 2HB CYS 17 -9.361 -4.684 -6.919
127 HA PRO 18 HA PRO 18 -10.255 -9.348 -4.877
128 1HB PRO 18 1HB PRO 18 -12.812 -8.481 -3.872
129 2HB PRO 18 2HB PRO 18 -11.551 -9.363 -3.026
130 1HG PRO 18 1HG PRO 18 -12.288 -6.566 -2.770
131 2HG PRO 18 2HG PRO 18 -11.142 -7.482 -1.804
132 1HD PRO 18 1HD PRO 18 -10.526 -5.479 -3.747
133 2HD PRO 18 2HD PRO 18 -9.376 -6.528 -2.899
134 H ARG 19 H ARG 19 -11.208 -10.365 -6.442
135 HA ARG 19 HA ARG 19 -12.191 -10.789 -8.483
136 1HB ARG 19 1HB ARG 19 -14.222 -9.299 -6.810
137 2HB ARG 19 2HB ARG 19 -14.635 -9.500 -8.493
138 1HG ARG 19 1HG ARG 19 -15.529 -11.365 -7.178
139 2HG ARG 19 2HG ARG 19 -14.348 -11.936 -8.337
140 1HD ARG 19 1HD ARG 19 -14.044 -12.981 -6.054
141 2HD ARG 19 2HD ARG 19 -12.620 -12.098 -6.567
142 HE ARG 19 HE ARG 19 -12.986 -10.556 -4.838
143 1HH1 ARG 19 1HH1 ARG 19 -15.824 -12.479 -5.366
144 2HH1 ARG 19 2HH1 ARG 19 -16.631 -11.871 -3.960
145 1HH2 ARG 19 1HH2 ARG 19 -13.993 -9.777 -3.057
146 2HH2 ARG 19 2HH2 ARG 19 -15.584 -10.319 -2.638
147 H SER 20 H SER 20 -10.390 -8.607 -8.433
148 HA SER 20 HA SER 20 -11.275 -7.194 -10.913
149 1HB SER 20 1HB SER 20 -9.926 -5.882 -8.493
150 2HB SER 20 2HB SER 20 -10.314 -5.051 -10.008
151 HG SER 20 HG SER 20 -12.157 -6.426 -8.347
152 H GLU 21 H GLU 21 -9.963 -9.315 -11.087
153 HA GLU 21 HA GLU 21 -8.010 -10.469 -11.594
154 1HB GLU 21 1HB GLU 21 -7.863 -7.937 -13.306
155 2HB GLU 21 2HB GLU 21 -6.987 -9.413 -13.650
156 1HG GLU 21 1HG GLU 21 -9.007 -9.379 -15.022
157 2HG GLU 21 2HG GLU 21 -9.177 -10.645 -13.825
158 H GLU 22 H GLU 22 -6.127 -7.857 -12.501
159 HA GLU 22 HA GLU 22 -4.077 -7.071 -11.874
160 1HB GLU 22 1HB GLU 22 -5.842 -6.315 -9.915
161 2HB GLU 22 2HB GLU 22 -4.660 -7.141 -8.931
162 1HG GLU 22 1HG GLU 22 -4.127 -4.853 -10.889
163 2HG GLU 22 2HG GLU 22 -4.040 -4.764 -9.140
164 H LYS 23 H LYS 23 -2.295 -8.137 -12.025
165 HA LYS 23 HA LYS 23 -1.808 -10.514 -10.377
166 1HB LYS 23 1HB LYS 23 -1.550 -10.799 -12.824
167 2HB LYS 23 2HB LYS 23 -0.438 -9.453 -12.879
168 1HG LYS 23 1HG LYS 23 0.826 -11.570 -12.941
169 2HG LYS 23 2HG LYS 23 1.194 -10.687 -11.480
170 1HD LYS 23 1HD LYS 23 0.913 -13.060 -10.963
171 2HD LYS 23 2HD LYS 23 -0.349 -12.141 -10.176
172 1HE LYS 23 1HE LYS 23 -1.942 -12.769 -11.995
173 2HE LYS 23 2HE LYS 23 -0.659 -13.656 -12.810
174 1HZ LYS 23 1HZ LYS 23 -1.676 -14.216 -10.086
175 2HZ LYS 23 2HZ LYS 23 -2.077 -15.085 -11.489
176 3HZ LYS 23 3HZ LYS 23 -0.480 -15.098 -10.909
177 H LYS 24 H LYS 24 -0.288 -10.511 -8.857
178 HA LYS 24 HA LYS 24 1.036 -7.985 -8.126
179 1HB LYS 24 1HB LYS 24 2.001 -9.866 -6.307
180 2HB LYS 24 2HB LYS 24 0.539 -8.929 -6.106
181 1HG LYS 24 1HG LYS 24 -0.850 -10.743 -6.958
182 2HG LYS 24 2HG LYS 24 0.566 -11.671 -7.410
183 1HD LYS 24 1HD LYS 24 -0.359 -12.538 -5.307
184 2HD LYS 24 2HD LYS 24 1.230 -11.861 -5.025
185 1HE LYS 24 1HE LYS 24 -0.367 -11.193 -3.243
186 2HE LYS 24 2HE LYS 24 0.192 -9.782 -4.118
187 1HZ LYS 24 1HZ LYS 24 -2.136 -10.932 -5.303
188 2HZ LYS 24 2HZ LYS 24 -2.390 -10.498 -3.680
189 3HZ LYS 24 3HZ LYS 24 -1.847 -9.338 -4.792
190 H ASN 25 H ASN 25 2.404 -7.801 -9.952
191 HA ASN 25 HA ASN 25 4.973 -9.124 -9.625
192 1HB ASN 25 1HB ASN 25 3.049 -9.882 -11.777
193 2HB ASN 25 2HB ASN 25 4.627 -9.479 -12.409
194 1HD2 ASN 25 2HD2 ASN 25 2.835 -11.838 -10.594
195 2HD2 ASN 25 1HD2 ASN 25 4.115 -12.932 -10.372
196 H ASP 26 H ASP 26 3.570 -6.456 -9.753
197 HA ASP 26 HA ASP 26 5.735 -5.020 -11.190
198 1HB ASP 26 1HB ASP 26 4.107 -4.927 -12.931
199 2HB ASP 26 2HB ASP 26 2.764 -4.893 -11.808
200 H ARG 27 H ARG 27 6.586 -4.121 -9.455
201 HA ARG 27 HA ARG 27 5.045 -3.199 -7.185
202 1HB ARG 27 1HB ARG 27 7.153 -4.174 -6.706
203 2HB ARG 27 2HB ARG 27 7.982 -3.236 -7.927
204 1HG ARG 27 1HG ARG 27 8.004 -1.266 -6.597
205 2HG ARG 27 2HG ARG 27 6.698 -1.813 -5.573
206 1HD ARG 27 1HD ARG 27 8.981 -1.889 -4.484
207 2HD ARG 27 2HD ARG 27 8.189 -3.457 -4.510
208 HE ARG 27 HE ARG 27 9.818 -3.100 -6.864
209 1HH1 ARG 27 1HH1 ARG 27 9.960 -3.745 -3.463
210 2HH1 ARG 27 2HH1 ARG 27 11.451 -4.617 -3.574
211 1HH2 ARG 27 1HH2 ARG 27 11.708 -4.202 -7.028
212 2HH2 ARG 27 2HH2 ARG 27 12.456 -4.881 -5.621
213 H ILE 28 H ILE 28 3.718 -1.728 -8.081
214 HA ILE 28 HA ILE 28 4.478 0.621 -9.476
215 HB ILE 28 HB ILE 28 1.986 0.671 -7.826
216 1HG1 ILE 28 1HG1 ILE 28 0.962 -0.744 -9.955
217 2HG1 ILE 28 2HG1 ILE 28 2.553 -1.466 -9.888
218 1HG2 ILE 28 1HG2 ILE 28 2.563 1.218 -10.731
219 2HG2 ILE 28 2HG2 ILE 28 1.017 1.486 -9.931
220 3HG2 ILE 28 3HG2 ILE 28 2.416 2.429 -9.461
221 1HD1 ILE 28 1HD1 ILE 28 2.178 -2.052 -7.516
222 2HD1 ILE 28 2HD1 ILE 28 0.583 -1.344 -7.580
223 3HD1 ILE 28 3HD1 ILE 28 0.952 -2.764 -8.544
224 H CYS 29 H CYS 29 3.745 2.766 -8.470
225 HA CYS 29 HA CYS 29 4.914 3.177 -5.741
226 1HB CYS 29 1HB CYS 29 6.242 3.915 -7.758
227 2HB CYS 29 2HB CYS 29 4.933 4.955 -8.206
228 H THR 30 H THR 30 3.164 3.521 -4.472
229 HA THR 30 HA THR 30 1.242 5.619 -5.085
230 HB THR 30 HB THR 30 0.236 3.765 -6.430
231 HG1 THR 30 HG1 THR 30 -1.729 3.648 -5.232
232 1HG2 THR 30 1HG2 THR 30 0.142 2.200 -3.786
233 2HG2 THR 30 2HG2 THR 30 -0.501 1.670 -5.332
234 3HG2 THR 30 3HG2 THR 30 1.232 1.814 -5.108
235 H ASN 31 H ASN 31 -0.482 5.708 -3.342
236 HA ASN 31 HA ASN 31 0.808 5.280 -0.703
237 1HB ASN 31 1HB ASN 31 -1.576 7.025 -1.406
238 2HB ASN 31 2HB ASN 31 -0.721 7.029 0.118
239 1HD2 ASN 31 2HD2 ASN 31 -1.036 8.885 -2.423
240 2HD2 ASN 31 1HD2 ASN 31 0.529 9.531 -2.505
241 H CYS 32 H CYS 32 -0.653 4.930 1.120
242 HA CYS 32 HA CYS 32 -2.032 2.428 0.887
243 1HB CYS 32 1HB CYS 32 -0.985 3.309 2.993
244 2HB CYS 32 2HB CYS 32 -2.218 4.534 3.083
245 H CYS 33 H CYS 33 -3.116 5.728 1.421
246 HA CYS 33 HA CYS 33 -5.919 5.146 1.137
247 1HB CYS 33 1HB CYS 33 -5.350 6.923 2.532
248 2HB CYS 33 2HB CYS 33 -4.247 7.608 1.374
249 H ALA 34 H ALA 34 -3.432 6.135 -1.096
250 HA ALA 34 HA ALA 34 -5.031 7.228 -3.177
251 1HB ALA 34 1HB ALA 34 -2.497 5.558 -3.402
252 2HB ALA 34 2HB ALA 34 -3.161 6.557 -4.689
253 3HB ALA 34 3HB ALA 34 -2.556 7.307 -3.225
254 H GLY 35 H GLY 35 -4.273 3.970 -2.280
255 1HA GLY 35 1HA GLY 35 -5.213 2.508 -4.432
256 2HA GLY 35 2HA GLY 35 -5.202 1.918 -2.776
257 H THR 36 H THR 36 -7.271 1.223 -4.615
258 HA THR 36 HA THR 36 -9.563 2.931 -3.973
259 HB THR 36 HB THR 36 -10.014 0.260 -5.265
260 HG1 THR 36 HG1 THR 36 -8.555 2.486 -6.281
261 1HG2 THR 36 1HG2 THR 36 -10.818 3.119 -6.030
262 2HG2 THR 36 2HG2 THR 36 -11.431 1.647 -6.764
263 3HG2 THR 36 3HG2 THR 36 -11.847 2.039 -5.108
264 H LYS 37 H LYS 37 -11.606 1.690 -3.367
265 HA LYS 37 HA LYS 37 -11.328 0.712 -0.692
266 1HB LYS 37 1HB LYS 37 -13.363 1.754 -0.963
267 2HB LYS 37 2HB LYS 37 -13.536 1.244 -2.625
268 1HG LYS 37 1HG LYS 37 -14.254 -1.011 -1.903
269 2HG LYS 37 2HG LYS 37 -14.010 -0.566 -0.219
270 1HD LYS 37 1HD LYS 37 -15.735 1.228 -0.468
271 2HD LYS 37 2HD LYS 37 -15.972 0.759 -2.144
272 1HE LYS 37 1HE LYS 37 -16.683 -1.512 -1.415
273 2HE LYS 37 2HE LYS 37 -16.435 -1.052 0.265
274 1HZ LYS 37 1HZ LYS 37 -18.320 0.255 -1.607
275 2HZ LYS 37 2HZ LYS 37 -18.741 -0.867 -0.402
276 3HZ LYS 37 3HZ LYS 37 -18.102 0.646 0.032
277 H GLY 38 H GLY 38 -11.460 -1.223 0.195
278 1HA GLY 38 1HA GLY 38 -11.511 -3.535 0.454
279 2HA GLY 38 2HA GLY 38 -12.174 -3.670 -1.164
280 H CYS 39 H CYS 39 -9.611 -2.038 -1.983
281 HA CYS 39 HA CYS 39 -8.119 -4.308 -2.854
282 1HB CYS 39 1HB CYS 39 -7.247 -1.434 -2.688
283 2HB CYS 39 2HB CYS 39 -6.558 -2.660 -3.708
284 H LYS 40 H LYS 40 -5.970 -4.857 -2.374
285 HA LYS 40 HA LYS 40 -4.991 -4.099 0.353
286 1HB LYS 40 1HB LYS 40 -5.145 -6.891 -0.859
287 2HB LYS 40 2HB LYS 40 -4.289 -6.485 0.620
288 1HG LYS 40 1HG LYS 40 -6.406 -5.661 1.637
289 2HG LYS 40 2HG LYS 40 -7.269 -5.988 0.151
290 1HD LYS 40 1HD LYS 40 -7.750 -7.777 1.696
291 2HD LYS 40 2HD LYS 40 -6.763 -8.426 0.407
292 1HE LYS 40 1HE LYS 40 -5.577 -7.521 3.063
293 2HE LYS 40 2HE LYS 40 -6.122 -9.164 2.779
294 1HZ LYS 40 1HZ LYS 40 -4.524 -8.529 0.636
295 2HZ LYS 40 2HZ LYS 40 -3.710 -7.930 2.002
296 3HZ LYS 40 3HZ LYS 40 -4.156 -9.566 1.928
297 H TYR 41 H TYR 41 -3.115 -3.197 0.227
298 HA TYR 41 HA TYR 41 -1.324 -3.758 -2.033
299 1HB TYR 41 1HB TYR 41 -1.646 -1.444 -0.088
300 2HB TYR 41 2HB TYR 41 -0.296 -1.577 -1.184
301 HD1 TYR 41 HD1 TYR 41 -3.988 -1.305 -1.002
302 HD2 TYR 41 HD2 TYR 41 -0.583 -1.156 -3.560
303 HE1 TYR 41 HE1 TYR 41 -5.378 -0.421 -2.811
304 HE2 TYR 41 HE2 TYR 41 -1.981 -0.272 -5.365
305 HH TYR 41 HH TYR 41 -4.219 1.068 -5.471
306 H PHE 42 H PHE 42 0.298 -5.052 -1.663
307 HA PHE 42 HA PHE 42 1.422 -5.378 1.060
308 1HB PHE 42 1HB PHE 42 2.139 -7.591 -0.641
309 2HB PHE 42 2HB PHE 42 1.119 -7.568 0.776
310 HD1 PHE 42 HD1 PHE 42 0.986 -6.888 -2.883
311 HD2 PHE 42 HD2 PHE 42 -1.099 -7.978 0.641
312 HE1 PHE 42 HE1 PHE 42 -1.032 -7.383 -4.231
313 HE2 PHE 42 HE2 PHE 42 -3.125 -8.474 -0.686
314 HZ PHE 42 HZ PHE 42 -3.084 -8.169 -3.108
315 H SER 43 H SER 43 3.529 -6.189 1.061
316 HA SER 43 HA SER 43 5.357 -4.450 -0.407
317 1HB SER 43 1HB SER 43 5.840 -4.905 1.923
318 2HB SER 43 2HB SER 43 5.913 -6.655 1.661
319 HG SER 43 HG SER 43 7.534 -4.766 0.330
320 H ASP 44 H ASP 44 7.379 -5.594 -0.959
321 HA ASP 44 HA ASP 44 6.886 -7.257 -3.322
322 1HB ASP 44 1HB ASP 44 8.863 -5.420 -2.620
323 2HB ASP 44 2HB ASP 44 9.730 -6.933 -2.456
324 H ASP 45 H ASP 45 7.721 -7.759 -0.086
325 HA ASP 45 HA ASP 45 8.922 -10.396 -0.337
326 1HB ASP 45 1HB ASP 45 7.762 -8.993 2.040
327 2HB ASP 45 2HB ASP 45 8.805 -10.401 2.115
328 H GLY 46 H GLY 46 5.786 -9.277 -0.684
329 1HA GLY 46 1HA GLY 46 3.813 -10.359 -0.984
330 2HA GLY 46 2HA GLY 46 4.648 -11.903 -0.710
331 H THR 47 H THR 47 3.857 -8.948 1.059
332 HA THR 47 HA THR 47 2.462 -10.348 3.118
333 HB THR 47 HB THR 47 5.037 -8.771 3.629
334 HG1 THR 47 HG1 THR 47 5.380 -10.875 3.037
335 1HG2 THR 47 1HG2 THR 47 3.200 -10.201 5.660
336 2HG2 THR 47 2HG2 THR 47 4.693 -9.361 6.053
337 3HG2 THR 47 3HG2 THR 47 3.290 -8.453 5.517
338 H PHE 48 H PHE 48 0.751 -9.202 3.496
339 HA PHE 48 HA PHE 48 -0.012 -6.801 2.370
340 1HB PHE 48 1HB PHE 48 -1.583 -8.331 3.414
341 2HB PHE 48 2HB PHE 48 -0.898 -8.027 5.002
342 HD1 PHE 48 HD1 PHE 48 -2.706 -6.385 2.172
343 HD2 PHE 48 HD2 PHE 48 -1.605 -6.154 6.282
344 HE1 PHE 48 HE1 PHE 48 -4.225 -4.487 2.480
345 HE2 PHE 48 HE2 PHE 48 -3.119 -4.251 6.583
346 HZ PHE 48 HZ PHE 48 -4.428 -3.412 4.691
347 H VAL 49 H VAL 49 0.543 -4.818 2.542
348 HA VAL 49 HA VAL 49 1.977 -3.792 4.945
349 HB VAL 49 HB VAL 49 1.818 -2.755 2.089
350 1HG1 VAL 49 1HG1 VAL 49 3.458 -1.706 4.445
351 2HG1 VAL 49 2HG1 VAL 49 3.578 -1.139 2.788
352 3HG1 VAL 49 3HG1 VAL 49 2.108 -0.865 3.699
353 1HG2 VAL 49 1HG2 VAL 49 3.191 -4.799 2.407
354 2HG2 VAL 49 2HG2 VAL 49 4.200 -3.422 2.013
355 3HG2 VAL 49 3HG2 VAL 49 4.110 -4.005 3.670
356 H CYS 50 H CYS 50 -0.647 -2.840 2.680
357 HA CYS 50 HA CYS 50 -2.110 -1.504 4.823
358 1HB CYS 50 1HB CYS 50 -0.197 -0.029 3.477
359 2HB CYS 50 2HB CYS 50 -1.684 0.291 2.633
360 H GLU 51 H GLU 51 -4.176 -0.687 3.930
361 HA GLU 51 HA GLU 51 -4.965 -2.185 1.459
362 1HB GLU 51 1HB GLU 51 -6.096 -3.342 3.108
363 2HB GLU 51 2HB GLU 51 -6.269 -1.953 4.156
364 1HG GLU 51 1HG GLU 51 -8.236 -1.265 3.162
365 2HG GLU 51 2HG GLU 51 -7.840 -1.851 1.573
366 H GLY 52 H GLY 52 -5.928 -1.212 -0.063
367 1HA GLY 52 1HA GLY 52 -5.982 1.584 -0.401
368 2HA GLY 52 2HA GLY 52 -6.882 0.453 -1.389
369 H GLU 53 H GLU 53 -7.919 2.944 -0.794
370 HA GLU 53 HA GLU 53 -10.473 2.305 0.390
371 1HB GLU 53 1HB GLU 53 -10.248 4.049 2.271
372 2HB GLU 53 2HB GLU 53 -9.319 2.586 2.516
373 1HG GLU 53 1HG GLU 53 -7.291 3.702 1.631
374 2HG GLU 53 2HG GLU 53 -8.189 5.188 1.370
375 H SER 54 H SER 54 -10.124 3.008 -1.981
376 HA SER 54 HA SER 54 -10.971 4.385 -3.650
377 1HB SER 54 1HB SER 54 -12.736 5.122 -2.000
378 2HB SER 54 2HB SER 54 -11.673 6.424 -1.448
379 HG SER 54 HG SER 54 -12.357 7.454 -3.116
Start of MODEL 4
1 1H MET 1 1H MET 1 -9.992 13.356 -6.833
2 2H MET 1 2H MET 1 -10.578 13.467 -8.423
3 3H MET 1 3H MET 1 -11.567 12.834 -7.194
4 HA MET 1 HA MET 1 -10.796 11.022 -8.457
5 1HB MET 1 1HB MET 1 -8.359 12.651 -8.567
6 2HB MET 1 2HB MET 1 -7.950 11.050 -7.990
7 1HG MET 1 1HG MET 1 -9.123 10.051 -9.919
8 2HG MET 1 2HG MET 1 -9.534 11.640 -10.501
9 1HE MET 1 1HE MET 1 -7.430 13.483 -10.792
10 2HE MET 1 2HE MET 1 -6.514 12.980 -12.198
11 3HE MET 1 3HE MET 1 -8.265 12.863 -12.237
12 H LYS 2 H LYS 2 -10.849 9.200 -7.309
13 HA LYS 2 HA LYS 2 -10.489 9.325 -4.398
14 1HB LYS 2 1HB LYS 2 -11.306 7.048 -6.234
15 2HB LYS 2 2HB LYS 2 -11.379 6.973 -4.479
16 1HG LYS 2 1HG LYS 2 -12.919 9.003 -4.547
17 2HG LYS 2 2HG LYS 2 -12.955 8.855 -6.290
18 1HD LYS 2 1HD LYS 2 -13.871 6.695 -4.342
19 2HD LYS 2 2HD LYS 2 -14.935 7.798 -5.184
20 1HE LYS 2 1HE LYS 2 -14.978 5.741 -6.433
21 2HE LYS 2 2HE LYS 2 -14.012 6.856 -7.383
22 1HZ LYS 2 1HZ LYS 2 -12.454 5.363 -5.504
23 2HZ LYS 2 2HZ LYS 2 -13.278 4.374 -6.610
24 3HZ LYS 2 3HZ LYS 2 -12.233 5.586 -7.173
25 H ALA 3 H ALA 3 -8.225 9.779 -4.577
26 HA ALA 3 HA ALA 3 -6.547 7.765 -3.824
27 1HB ALA 3 1HB ALA 3 -6.121 8.497 -6.777
28 2HB ALA 3 2HB ALA 3 -5.012 7.526 -5.824
29 3HB ALA 3 3HB ALA 3 -6.598 6.905 -6.214
30 H CYS 4 H CYS 4 -4.630 8.508 -3.164
31 HA CYS 4 HA CYS 4 -4.292 11.315 -2.705
32 1HB CYS 4 1HB CYS 4 -2.378 9.000 -2.322
33 2HB CYS 4 2HB CYS 4 -2.235 10.565 -1.576
34 H THR 5 H THR 5 -1.610 11.721 -2.922
35 HA THR 5 HA THR 5 -1.258 12.747 -5.514
36 HB THR 5 HB THR 5 0.862 12.193 -3.358
37 HG1 THR 5 HG1 THR 5 -0.952 13.224 -2.541
38 1HG2 THR 5 1HG2 THR 5 0.478 14.501 -5.334
39 2HG2 THR 5 2HG2 THR 5 1.817 14.297 -4.209
40 3HG2 THR 5 3HG2 THR 5 1.664 13.230 -5.596
41 H LEU 6 H LEU 6 -1.230 9.576 -4.798
42 HA LEU 6 HA LEU 6 -0.579 7.660 -5.895
43 1HB LEU 6 1HB LEU 6 0.524 9.481 -8.085
44 2HB LEU 6 2HB LEU 6 0.068 7.802 -8.234
45 HG LEU 6 HG LEU 6 -1.867 10.086 -7.628
46 1HD1 LEU 6 1HD1 LEU 6 -1.484 8.405 -10.135
47 2HD1 LEU 6 2HD1 LEU 6 -2.733 9.616 -9.900
48 3HD1 LEU 6 3HD1 LEU 6 -1.047 10.096 -9.956
49 1HD2 LEU 6 1HD2 LEU 6 -2.429 7.122 -8.111
50 2HD2 LEU 6 2HD2 LEU 6 -2.617 7.952 -6.574
51 3HD2 LEU 6 3HD2 LEU 6 -3.645 8.376 -7.926
52 H ASN 7 H ASN 7 1.464 9.569 -4.400
53 HA ASN 7 HA ASN 7 4.011 9.059 -5.263
54 1HB ASN 7 1HB ASN 7 3.000 9.342 -2.406
55 2HB ASN 7 2HB ASN 7 4.676 9.535 -2.892
56 1HD2 ASN 7 2HD2 ASN 7 3.315 11.651 -1.642
57 2HD2 ASN 7 1HD2 ASN 7 3.083 12.907 -2.760
58 H CYS 8 H CYS 8 5.602 7.691 -4.358
59 HA CYS 8 HA CYS 8 4.628 4.915 -3.923
60 1HB CYS 8 1HB CYS 8 7.500 5.257 -4.337
61 2HB CYS 8 2HB CYS 8 6.372 4.177 -5.093
62 H ASP 9 H ASP 9 4.825 3.904 -2.093
63 HA ASP 9 HA ASP 9 6.363 5.114 0.130
64 1HB ASP 9 1HB ASP 9 4.036 4.585 0.575
65 2HB ASP 9 2HB ASP 9 4.251 2.950 0.014
66 HA PRO 10 HA PRO 10 9.610 2.402 -1.013
67 1HB PRO 10 1HB PRO 10 10.963 2.315 1.491
68 2HB PRO 10 2HB PRO 10 11.242 3.440 0.172
69 1HG PRO 10 1HG PRO 10 9.822 3.878 2.716
70 2HG PRO 10 2HG PRO 10 10.496 5.063 1.606
71 1HD PRO 10 1HD PRO 10 7.750 4.493 1.931
72 2HD PRO 10 2HD PRO 10 8.462 5.381 0.571
73 H ARG 11 H ARG 11 7.536 1.597 1.575
74 HA ARG 11 HA ARG 11 8.503 -1.172 1.821
75 1HB ARG 11 1HB ARG 11 8.054 -0.249 3.881
76 2HB ARG 11 2HB ARG 11 6.749 0.740 3.333
77 1HG ARG 11 1HG ARG 11 5.533 -1.662 3.040
78 2HG ARG 11 2HG ARG 11 6.776 -2.160 4.176
79 1HD ARG 11 1HD ARG 11 4.730 -1.391 5.345
80 2HD ARG 11 2HD ARG 11 6.059 -0.288 5.698
81 HE ARG 11 HE ARG 11 4.460 0.452 3.355
82 1HH1 ARG 11 1HH1 ARG 11 4.808 0.731 6.794
83 2HH1 ARG 11 2HH1 ARG 11 3.905 2.205 6.872
84 1HH2 ARG 11 1HH2 ARG 11 3.324 2.300 3.430
85 2HH2 ARG 11 2HH2 ARG 11 3.045 3.109 4.937
86 H ILE 12 H ILE 12 5.911 0.724 0.403
87 HA ILE 12 HA ILE 12 4.187 -1.548 -0.170
88 HB ILE 12 HB ILE 12 4.287 1.300 -1.223
89 1HG1 ILE 12 1HG1 ILE 12 3.566 0.792 1.214
90 2HG1 ILE 12 2HG1 ILE 12 2.476 1.782 0.275
91 1HG2 ILE 12 1HG2 ILE 12 2.204 -0.818 -1.907
92 2HG2 ILE 12 2HG2 ILE 12 2.039 0.896 -2.247
93 3HG2 ILE 12 3HG2 ILE 12 3.303 -0.036 -3.023
94 1HD1 ILE 12 1HD1 ILE 12 2.187 -1.194 0.747
95 2HD1 ILE 12 2HD1 ILE 12 1.274 0.089 1.541
96 3HD1 ILE 12 3HD1 ILE 12 1.077 -0.186 -0.172
97 H ALA 13 H ALA 13 4.091 -2.779 -1.892
98 HA ALA 13 HA ALA 13 6.163 -2.444 -4.025
99 1HB ALA 13 1HB ALA 13 4.703 -4.961 -3.096
100 2HB ALA 13 2HB ALA 13 5.941 -4.897 -4.333
101 3HB ALA 13 3HB ALA 13 6.345 -4.501 -2.676
102 H TYR 14 H TYR 14 2.967 -3.874 -3.539
103 HA TYR 14 HA TYR 14 1.786 -2.324 -5.719
104 1HB TYR 14 1HB TYR 14 1.215 -4.369 -7.123
105 2HB TYR 14 2HB TYR 14 2.925 -4.022 -7.078
106 HD1 TYR 14 HD1 TYR 14 4.450 -5.421 -5.696
107 HD2 TYR 14 HD2 TYR 14 0.350 -6.426 -6.190
108 HE1 TYR 14 HE1 TYR 14 4.919 -7.687 -4.903
109 HE2 TYR 14 HE2 TYR 14 0.814 -8.698 -5.400
110 HH TYR 14 HH TYR 14 2.932 -10.234 -5.363
111 H GLY 15 H GLY 15 -0.450 -3.575 -6.239
112 1HA GLY 15 1HA GLY 15 -1.623 -4.755 -3.831
113 2HA GLY 15 2HA GLY 15 -2.234 -3.152 -4.226
114 H VAL 16 H VAL 16 -3.676 -5.527 -4.081
115 HA VAL 16 HA VAL 16 -4.712 -5.744 -6.882
116 HB VAL 16 HB VAL 16 -4.663 -8.049 -4.879
117 1HG1 VAL 16 1HG1 VAL 16 -5.134 -7.912 -7.906
118 2HG1 VAL 16 2HG1 VAL 16 -5.169 -9.382 -6.943
119 3HG1 VAL 16 3HG1 VAL 16 -6.398 -8.154 -6.712
120 1HG2 VAL 16 1HG2 VAL 16 -2.321 -7.427 -5.591
121 2HG2 VAL 16 2HG2 VAL 16 -2.806 -8.970 -6.261
122 3HG2 VAL 16 3HG2 VAL 16 -2.818 -7.528 -7.265
123 H CYS 17 H CYS 17 -6.793 -5.520 -7.133
124 HA CYS 17 HA CYS 17 -8.500 -5.108 -4.729
125 1HB CYS 17 1HB CYS 17 -8.869 -4.073 -7.541
126 2HB CYS 17 2HB CYS 17 -9.830 -3.630 -6.160
127 HA PRO 18 HA PRO 18 -11.106 -8.529 -5.752
128 1HB PRO 18 1HB PRO 18 -13.607 -7.120 -5.351
129 2HB PRO 18 2HB PRO 18 -12.817 -8.272 -4.287
130 1HG PRO 18 1HG PRO 18 -12.990 -5.407 -3.988
131 2HG PRO 18 2HG PRO 18 -12.258 -6.565 -2.888
132 1HD PRO 18 1HD PRO 18 -10.905 -4.669 -4.568
133 2HD PRO 18 2HD PRO 18 -10.164 -5.898 -3.531
134 H ARG 19 H ARG 19 -12.167 -9.348 -7.474
135 HA ARG 19 HA ARG 19 -12.759 -9.563 -9.693
136 1HB ARG 19 1HB ARG 19 -14.862 -8.599 -8.758
137 2HB ARG 19 2HB ARG 19 -14.238 -6.979 -8.913
138 1HG ARG 19 1HG ARG 19 -15.922 -7.561 -10.650
139 2HG ARG 19 2HG ARG 19 -14.419 -7.040 -11.351
140 1HD ARG 19 1HD ARG 19 -15.313 -9.065 -12.503
141 2HD ARG 19 2HD ARG 19 -13.798 -9.473 -11.705
142 HE ARG 19 HE ARG 19 -16.029 -9.942 -9.942
143 1HH1 ARG 19 1HH1 ARG 19 -14.382 -11.194 -12.722
144 2HH1 ARG 19 2HH1 ARG 19 -14.866 -12.827 -12.413
145 1HH2 ARG 19 1HH2 ARG 19 -16.653 -12.000 -9.532
146 2HH2 ARG 19 2HH2 ARG 19 -16.171 -13.292 -10.581
147 H SER 20 H SER 20 -10.424 -8.103 -8.939
148 HA SER 20 HA SER 20 -9.556 -7.095 -11.551
149 1HB SER 20 1HB SER 20 -9.533 -5.309 -9.046
150 2HB SER 20 2HB SER 20 -8.738 -4.885 -10.569
151 HG SER 20 HG SER 20 -11.484 -5.353 -10.080
152 H GLU 21 H GLU 21 -8.855 -9.316 -10.650
153 HA GLU 21 HA GLU 21 -6.711 -9.398 -8.782
154 1HB GLU 21 1HB GLU 21 -7.863 -11.398 -10.752
155 2HB GLU 21 2HB GLU 21 -6.508 -11.802 -9.718
156 1HG GLU 21 1HG GLU 21 -8.687 -12.515 -8.717
157 2HG GLU 21 2HG GLU 21 -7.844 -11.366 -7.699
158 H GLU 22 H GLU 22 -6.556 -10.569 -12.101
159 HA GLU 22 HA GLU 22 -4.955 -10.452 -13.764
160 1HB GLU 22 1HB GLU 22 -5.607 -8.100 -13.776
161 2HB GLU 22 2HB GLU 22 -4.583 -7.709 -12.428
162 1HG GLU 22 1HG GLU 22 -3.513 -8.659 -15.105
163 2HG GLU 22 2HG GLU 22 -3.745 -6.971 -14.712
164 H LYS 23 H LYS 23 -2.622 -10.477 -14.203
165 HA LYS 23 HA LYS 23 -1.179 -12.062 -12.349
166 1HB LYS 23 1HB LYS 23 -0.619 -10.685 -14.930
167 2HB LYS 23 2HB LYS 23 0.806 -11.137 -14.009
168 1HG LYS 23 1HG LYS 23 -0.108 -13.480 -13.830
169 2HG LYS 23 2HG LYS 23 -1.428 -13.012 -14.881
170 1HD LYS 23 1HD LYS 23 1.525 -12.906 -15.643
171 2HD LYS 23 2HD LYS 23 0.428 -14.190 -16.090
172 1HE LYS 23 1HE LYS 23 0.567 -12.741 -18.004
173 2HE LYS 23 2HE LYS 23 -1.000 -12.420 -17.281
174 1HZ LYS 23 1HZ LYS 23 1.069 -10.764 -16.210
175 2HZ LYS 23 2HZ LYS 23 0.887 -10.580 -17.887
176 3HZ LYS 23 3HZ LYS 23 -0.442 -10.339 -16.858
177 H LYS 24 H LYS 24 -1.033 -11.101 -10.373
178 HA LYS 24 HA LYS 24 0.041 -8.440 -9.933
179 1HB LYS 24 1HB LYS 24 0.269 -9.675 -7.458
180 2HB LYS 24 2HB LYS 24 -1.146 -8.869 -8.050
181 1HG LYS 24 1HG LYS 24 -1.913 -10.902 -7.146
182 2HG LYS 24 2HG LYS 24 -2.033 -11.119 -8.864
183 1HD LYS 24 1HD LYS 24 0.384 -12.082 -7.264
184 2HD LYS 24 2HD LYS 24 -1.056 -13.057 -7.406
185 1HE LYS 24 1HE LYS 24 0.697 -12.186 -9.757
186 2HE LYS 24 2HE LYS 24 0.621 -13.772 -9.034
187 1HZ LYS 24 1HZ LYS 24 -1.677 -12.403 -10.297
188 2HZ LYS 24 2HZ LYS 24 -0.723 -13.604 -11.022
189 3HZ LYS 24 3HZ LYS 24 -1.661 -13.975 -9.656
190 H ASN 25 H ASN 25 1.922 -8.651 -11.186
191 HA ASN 25 HA ASN 25 4.232 -9.574 -9.654
192 1HB ASN 25 1HB ASN 25 3.187 -10.875 -12.132
193 2HB ASN 25 2HB ASN 25 4.884 -10.459 -12.270
194 1HD2 ASN 25 2HD2 ASN 25 6.403 -11.483 -10.812
195 2HD2 ASN 25 1HD2 ASN 25 5.968 -12.850 -9.904
196 H ASP 26 H ASP 26 3.271 -7.098 -9.981
197 HA ASP 26 HA ASP 26 5.437 -5.743 -11.465
198 1HB ASP 26 1HB ASP 26 2.746 -5.903 -12.476
199 2HB ASP 26 2HB ASP 26 2.916 -4.273 -11.861
200 H ARG 27 H ARG 27 6.381 -4.861 -9.795
201 HA ARG 27 HA ARG 27 4.924 -3.830 -7.480
202 1HB ARG 27 1HB ARG 27 6.967 -4.976 -7.018
203 2HB ARG 27 2HB ARG 27 7.850 -4.100 -8.243
204 1HG ARG 27 1HG ARG 27 6.759 -2.227 -6.256
205 2HG ARG 27 2HG ARG 27 7.677 -3.482 -5.463
206 1HD ARG 27 1HD ARG 27 9.642 -2.982 -6.826
207 2HD ARG 27 2HD ARG 27 8.771 -1.784 -7.765
208 HE ARG 27 HE ARG 27 9.696 -1.513 -4.977
209 1HH1 ARG 27 1HH1 ARG 27 7.724 -0.251 -7.543
210 2HH1 ARG 27 2HH1 ARG 27 7.635 1.326 -6.841
211 1HH2 ARG 27 1HH2 ARG 27 9.583 0.476 -4.080
212 2HH2 ARG 27 2HH2 ARG 27 8.695 1.745 -4.857
213 H ILE 28 H ILE 28 3.701 -2.237 -8.505
214 HA ILE 28 HA ILE 28 4.707 -0.105 -10.058
215 HB ILE 28 HB ILE 28 2.393 0.480 -8.286
216 1HG1 ILE 28 1HG1 ILE 28 0.998 -0.914 -10.226
217 2HG1 ILE 28 2HG1 ILE 28 2.442 -1.900 -10.197
218 1HG2 ILE 28 1HG2 ILE 28 2.826 0.712 -11.234
219 2HG2 ILE 28 2HG2 ILE 28 1.398 1.265 -10.359
220 3HG2 ILE 28 3HG2 ILE 28 2.955 2.004 -10.036
221 1HD1 ILE 28 1HD1 ILE 28 2.151 -2.177 -7.745
222 2HD1 ILE 28 2HD1 ILE 28 0.688 -1.220 -7.811
223 3HD1 ILE 28 3HD1 ILE 28 0.756 -2.770 -8.634
224 H CYS 29 H CYS 29 4.481 2.179 -9.272
225 HA CYS 29 HA CYS 29 6.026 2.551 -6.737
226 1HB CYS 29 1HB CYS 29 6.765 3.323 -9.153
227 2HB CYS 29 2HB CYS 29 5.650 4.632 -8.916
228 H THR 30 H THR 30 3.986 2.193 -5.649
229 HA THR 30 HA THR 30 2.375 4.693 -5.406
230 HB THR 30 HB THR 30 1.077 3.037 -6.794
231 HG1 THR 30 HG1 THR 30 0.102 3.203 -4.138
232 1HG2 THR 30 1HG2 THR 30 2.026 0.901 -5.719
233 2HG2 THR 30 2HG2 THR 30 1.144 1.303 -4.255
234 3HG2 THR 30 3HG2 THR 30 0.272 0.945 -5.733
235 H ASN 31 H ASN 31 1.010 4.604 -3.408
236 HA ASN 31 HA ASN 31 2.393 3.272 -1.132
237 1HB ASN 31 1HB ASN 31 2.125 5.387 0.182
238 2HB ASN 31 2HB ASN 31 3.164 5.616 -1.213
239 1HD2 ASN 31 2HD2 ASN 31 2.002 7.832 -0.021
240 2HD2 ASN 31 1HD2 ASN 31 0.809 8.478 -1.043
241 H CYS 32 H CYS 32 1.085 3.177 0.824
242 HA CYS 32 HA CYS 32 -1.441 2.009 0.429
243 1HB CYS 32 1HB CYS 32 -0.334 1.563 2.488
244 2HB CYS 32 2HB CYS 32 -0.139 3.257 2.857
245 H CYS 33 H CYS 33 -0.617 5.358 0.937
246 HA CYS 33 HA CYS 33 -3.206 6.390 1.563
247 1HB CYS 33 1HB CYS 33 -1.002 7.613 1.735
248 2HB CYS 33 2HB CYS 33 -1.005 7.769 0.002
249 H ALA 34 H ALA 34 -1.452 6.317 -1.505
250 HA ALA 34 HA ALA 34 -3.572 7.159 -3.193
251 1HB ALA 34 1HB ALA 34 -1.206 5.374 -3.854
252 2HB ALA 34 2HB ALA 34 -2.209 6.204 -5.034
253 3HB ALA 34 3HB ALA 34 -1.226 7.133 -3.914
254 H GLY 35 H GLY 35 -2.863 4.112 -1.782
255 1HA GLY 35 1HA GLY 35 -4.112 2.312 -3.430
256 2HA GLY 35 2HA GLY 35 -4.040 2.127 -1.684
257 H THR 36 H THR 36 -6.234 1.363 -3.425
258 HA THR 36 HA THR 36 -8.352 3.305 -2.763
259 HB THR 36 HB THR 36 -9.014 0.805 -4.277
260 HG1 THR 36 HG1 THR 36 -6.984 1.536 -5.120
261 1HG2 THR 36 1HG2 THR 36 -9.569 3.766 -4.831
262 2HG2 THR 36 2HG2 THR 36 -10.279 2.405 -5.683
263 3HG2 THR 36 3HG2 THR 36 -10.697 2.697 -4.009
264 H LYS 37 H LYS 37 -10.501 2.173 -2.268
265 HA LYS 37 HA LYS 37 -10.150 0.672 0.232
266 1HB LYS 37 1HB LYS 37 -11.814 2.258 0.546
267 2HB LYS 37 2HB LYS 37 -12.303 2.254 -1.127
268 1HG LYS 37 1HG LYS 37 -13.001 -0.087 0.670
269 2HG LYS 37 2HG LYS 37 -13.958 1.374 0.693
270 1HD LYS 37 1HD LYS 37 -14.489 1.175 -1.680
271 2HD LYS 37 2HD LYS 37 -13.444 -0.209 -1.879
272 1HE LYS 37 1HE LYS 37 -15.887 -0.123 -0.068
273 2HE LYS 37 2HE LYS 37 -15.800 -0.913 -1.637
274 1HZ LYS 37 1HZ LYS 37 -13.669 -1.924 -0.311
275 2HZ LYS 37 2HZ LYS 37 -14.845 -1.800 0.907
276 3HZ LYS 37 3HZ LYS 37 -15.174 -2.687 -0.504
277 H GLY 38 H GLY 38 -11.070 -1.366 0.633
278 1HA GLY 38 1HA GLY 38 -11.888 -3.517 0.132
279 2HA GLY 38 2HA GLY 38 -12.245 -2.983 -1.505
280 H CYS 39 H CYS 39 -9.496 -1.977 -1.843
281 HA CYS 39 HA CYS 39 -8.256 -4.335 -2.938
282 1HB CYS 39 1HB CYS 39 -7.193 -1.559 -2.501
283 2HB CYS 39 2HB CYS 39 -6.523 -2.724 -3.612
284 H LYS 40 H LYS 40 -5.860 -4.578 -2.575
285 HA LYS 40 HA LYS 40 -5.078 -4.440 0.296
286 1HB LYS 40 1HB LYS 40 -5.073 -6.974 -1.391
287 2HB LYS 40 2HB LYS 40 -4.278 -6.815 0.165
288 1HG LYS 40 1HG LYS 40 -6.503 -6.239 1.205
289 2HG LYS 40 2HG LYS 40 -7.269 -6.465 -0.356
290 1HD LYS 40 1HD LYS 40 -7.574 -8.497 0.932
291 2HD LYS 40 2HD LYS 40 -6.472 -8.842 -0.385
292 1HE LYS 40 1HE LYS 40 -4.532 -8.651 1.167
293 2HE LYS 40 2HE LYS 40 -5.619 -8.231 2.484
294 1HZ LYS 40 1HZ LYS 40 -6.689 -10.376 2.220
295 2HZ LYS 40 2HZ LYS 40 -5.619 -10.770 0.961
296 3HZ LYS 40 3HZ LYS 40 -5.029 -10.545 2.539
297 H TYR 41 H TYR 41 -3.322 -3.229 0.195
298 HA TYR 41 HA TYR 41 -1.352 -3.580 -1.944
299 1HB TYR 41 1HB TYR 41 -1.883 -1.394 0.106
300 2HB TYR 41 2HB TYR 41 -0.506 -1.399 -0.972
301 HD1 TYR 41 HD1 TYR 41 -4.190 -1.258 -0.823
302 HD2 TYR 41 HD2 TYR 41 -0.786 -0.940 -3.360
303 HE1 TYR 41 HE1 TYR 41 -5.596 -0.347 -2.604
304 HE2 TYR 41 HE2 TYR 41 -2.202 -0.036 -5.143
305 HH TYR 41 HH TYR 41 -5.357 1.058 -4.610
306 H PHE 42 H PHE 42 0.298 -4.726 -1.582
307 HA PHE 42 HA PHE 42 1.443 -5.106 1.119
308 1HB PHE 42 1HB PHE 42 2.151 -7.381 -0.406
309 2HB PHE 42 2HB PHE 42 0.941 -7.285 0.844
310 HD1 PHE 42 HD1 PHE 42 1.145 -6.407 -2.820
311 HD2 PHE 42 HD2 PHE 42 -1.108 -8.087 0.383
312 HE1 PHE 42 HE1 PHE 42 -0.682 -6.965 -4.366
313 HE2 PHE 42 HE2 PHE 42 -2.922 -8.643 -1.169
314 HZ PHE 42 HZ PHE 42 -2.711 -8.082 -3.545
315 H SER 43 H SER 43 3.578 -5.691 1.250
316 HA SER 43 HA SER 43 5.373 -4.112 -0.342
317 1HB SER 43 1HB SER 43 5.890 -6.093 1.921
318 2HB SER 43 2HB SER 43 6.939 -4.819 1.334
319 HG SER 43 HG SER 43 5.938 -3.540 2.605
320 H ASP 44 H ASP 44 7.538 -5.260 -0.641
321 HA ASP 44 HA ASP 44 7.095 -7.453 -2.595
322 1HB ASP 44 1HB ASP 44 8.607 -5.121 -2.755
323 2HB ASP 44 2HB ASP 44 9.839 -6.308 -2.376
324 H ASP 45 H ASP 45 8.725 -6.747 0.376
325 HA ASP 45 HA ASP 45 10.362 -9.145 0.440
326 1HB ASP 45 1HB ASP 45 10.868 -8.429 2.758
327 2HB ASP 45 2HB ASP 45 10.963 -7.060 1.667
328 H GLY 46 H GLY 46 7.119 -8.931 0.532
329 1HA GLY 46 1HA GLY 46 5.555 -10.511 0.990
330 2HA GLY 46 2HA GLY 46 6.786 -11.494 1.801
331 H THR 47 H THR 47 5.167 -8.368 2.176
332 HA THR 47 HA THR 47 4.249 -8.984 4.804
333 HB THR 47 HB THR 47 6.301 -6.791 4.234
334 HG1 THR 47 HG1 THR 47 7.130 -8.803 4.698
335 1HG2 THR 47 1HG2 THR 47 4.841 -7.389 6.888
336 2HG2 THR 47 2HG2 THR 47 6.080 -6.165 6.659
337 3HG2 THR 47 3HG2 THR 47 4.505 -5.968 5.911
338 H PHE 48 H PHE 48 2.204 -8.494 4.553
339 HA PHE 48 HA PHE 48 1.167 -6.634 2.659
340 1HB PHE 48 1HB PHE 48 -0.186 -8.505 3.474
341 2HB PHE 48 2HB PHE 48 -0.066 -7.924 5.127
342 HD1 PHE 48 HD1 PHE 48 -1.009 -6.420 1.795
343 HD2 PHE 48 HD2 PHE 48 -2.018 -6.937 5.903
344 HE1 PHE 48 HE1 PHE 48 -3.019 -5.066 1.478
345 HE2 PHE 48 HE2 PHE 48 -4.022 -5.585 5.580
346 HZ PHE 48 HZ PHE 48 -4.526 -4.637 3.360
347 H VAL 49 H VAL 49 0.548 -4.527 2.790
348 HA VAL 49 HA VAL 49 1.403 -3.104 5.280
349 HB VAL 49 HB VAL 49 0.898 -1.957 2.517
350 1HG1 VAL 49 1HG1 VAL 49 2.234 -0.794 5.009
351 2HG1 VAL 49 2HG1 VAL 49 2.147 0.014 3.456
352 3HG1 VAL 49 3HG1 VAL 49 0.681 -0.290 4.366
353 1HG2 VAL 49 1HG2 VAL 49 3.505 -2.733 3.901
354 2HG2 VAL 49 2HG2 VAL 49 2.811 -3.537 2.505
355 3HG2 VAL 49 3HG2 VAL 49 3.398 -1.891 2.364
356 H CYS 50 H CYS 50 -1.245 -2.592 2.823
357 HA CYS 50 HA CYS 50 -3.195 -2.462 4.992
358 1HB CYS 50 1HB CYS 50 -3.557 -0.187 5.182
359 2HB CYS 50 2HB CYS 50 -1.864 -0.112 4.791
360 H GLU 51 H GLU 51 -5.374 -1.756 4.171
361 HA GLU 51 HA GLU 51 -5.699 -2.913 1.453
362 1HB GLU 51 1HB GLU 51 -8.323 -2.384 2.516
363 2HB GLU 51 2HB GLU 51 -7.519 -3.919 2.476
364 1HG GLU 51 1HG GLU 51 -7.158 -1.975 4.787
365 2HG GLU 51 2HG GLU 51 -8.431 -3.172 4.738
366 H GLY 52 H GLY 52 -4.523 -0.694 1.217
367 1HA GLY 52 1HA GLY 52 -4.511 1.492 0.394
368 2HA GLY 52 2HA GLY 52 -5.885 0.945 -0.549
369 H GLU 53 H GLU 53 -7.119 2.799 -0.418
370 HA GLU 53 HA GLU 53 -8.916 3.302 1.628
371 1HB GLU 53 1HB GLU 53 -7.967 5.437 2.648
372 2HB GLU 53 2HB GLU 53 -7.130 4.000 3.155
373 1HG GLU 53 1HG GLU 53 -5.478 4.533 1.159
374 2HG GLU 53 2HG GLU 53 -6.236 6.110 1.147
375 H SER 54 H SER 54 -9.494 3.316 -0.830
376 HA SER 54 HA SER 54 -10.218 4.437 -2.742
377 1HB SER 54 1HB SER 54 -11.860 6.262 -2.115
378 2HB SER 54 2HB SER 54 -12.006 4.855 -1.061
379 HG SER 54 HG SER 54 -10.775 5.885 0.469
Start of MODEL 5
1 1H MET 1 1H MET 1 -1.199 14.793 -0.709
2 2H MET 1 2H MET 1 -0.237 16.053 -1.320
3 3H MET 1 3H MET 1 -1.238 16.323 0.025
4 HA MET 1 HA MET 1 -2.531 17.247 -1.558
5 1HB MET 1 1HB MET 1 -2.571 16.512 -3.914
6 2HB MET 1 2HB MET 1 -0.911 16.723 -3.405
7 1HG MET 1 1HG MET 1 -2.393 14.080 -3.589
8 2HG MET 1 2HG MET 1 -1.208 14.658 -4.715
9 1HE MET 1 1HE MET 1 1.295 15.373 -3.755
10 2HE MET 1 2HE MET 1 2.125 13.902 -3.293
11 3HE MET 1 3HE MET 1 1.148 13.905 -4.751
12 H LYS 2 H LYS 2 -4.530 16.452 -2.829
13 HA LYS 2 HA LYS 2 -6.014 14.668 -1.085
14 1HB LYS 2 1HB LYS 2 -7.027 16.683 -2.225
15 2HB LYS 2 2HB LYS 2 -6.763 15.927 -3.773
16 1HG LYS 2 1HG LYS 2 -9.103 15.609 -3.108
17 2HG LYS 2 2HG LYS 2 -8.298 14.061 -3.168
18 1HD LYS 2 1HD LYS 2 -9.711 14.194 -1.165
19 2HD LYS 2 2HD LYS 2 -8.036 14.096 -0.676
20 1HE LYS 2 1HE LYS 2 -7.995 16.570 -0.315
21 2HE LYS 2 2HE LYS 2 -9.665 16.676 -0.861
22 1HZ LYS 2 1HZ LYS 2 -8.704 15.132 1.477
23 2HZ LYS 2 2HZ LYS 2 -9.489 16.638 1.534
24 3HZ LYS 2 3HZ LYS 2 -10.319 15.268 0.968
25 H ALA 3 H ALA 3 -4.975 12.744 -1.227
26 HA ALA 3 HA ALA 3 -4.567 10.572 -1.900
27 1HB ALA 3 1HB ALA 3 -6.943 10.558 -2.660
28 2HB ALA 3 2HB ALA 3 -6.475 11.223 -4.217
29 3HB ALA 3 3HB ALA 3 -5.936 9.623 -3.752
30 H CYS 4 H CYS 4 -2.809 9.752 -2.850
31 HA CYS 4 HA CYS 4 -1.167 11.329 -4.557
32 1HB CYS 4 1HB CYS 4 -1.080 8.390 -3.898
33 2HB CYS 4 2HB CYS 4 0.197 9.283 -4.663
34 H THR 5 H THR 5 -0.227 10.535 -6.579
35 HA THR 5 HA THR 5 -2.301 9.976 -8.551
36 HB THR 5 HB THR 5 0.652 10.733 -8.904
37 HG1 THR 5 HG1 THR 5 -1.756 12.175 -8.463
38 1HG2 THR 5 1HG2 THR 5 -1.845 11.259 -10.561
39 2HG2 THR 5 2HG2 THR 5 -0.188 11.710 -10.977
40 3HG2 THR 5 3HG2 THR 5 -0.664 10.014 -10.963
41 H LEU 6 H LEU 6 -1.962 7.728 -7.140
42 HA LEU 6 HA LEU 6 -1.434 5.456 -7.252
43 1HB LEU 6 1HB LEU 6 -1.323 6.139 -10.231
44 2HB LEU 6 2HB LEU 6 -1.473 4.520 -9.589
45 HG LEU 6 HG LEU 6 -3.504 6.705 -8.934
46 1HD1 LEU 6 1HD1 LEU 6 -3.623 4.588 -11.136
47 2HD1 LEU 6 2HD1 LEU 6 -4.924 5.683 -10.699
48 3HD1 LEU 6 3HD1 LEU 6 -3.444 6.315 -11.395
49 1HD2 LEU 6 1HD2 LEU 6 -3.452 4.687 -7.415
50 2HD2 LEU 6 2HD2 LEU 6 -4.931 4.750 -8.351
51 3HD2 LEU 6 3HD2 LEU 6 -3.644 3.648 -8.812
52 H ASN 7 H ASN 7 0.883 7.506 -7.297
53 HA ASN 7 HA ASN 7 3.048 6.480 -8.648
54 1HB ASN 7 1HB ASN 7 3.184 7.829 -5.920
55 2HB ASN 7 2HB ASN 7 4.397 7.867 -7.187
56 1HD2 ASN 7 2HD2 ASN 7 1.531 9.348 -5.986
57 2HD2 ASN 7 1HD2 ASN 7 1.344 10.507 -7.208
58 H CYS 8 H CYS 8 4.806 5.240 -7.857
59 HA CYS 8 HA CYS 8 3.973 2.952 -6.221
60 1HB CYS 8 1HB CYS 8 6.839 3.125 -6.766
61 2HB CYS 8 2HB CYS 8 5.698 1.864 -7.114
62 H ASP 9 H ASP 9 4.213 2.756 -4.129
63 HA ASP 9 HA ASP 9 5.696 4.820 -2.601
64 1HB ASP 9 1HB ASP 9 3.376 4.146 -1.931
65 2HB ASP 9 2HB ASP 9 3.930 2.523 -1.629
66 HA PRO 10 HA PRO 10 9.169 2.084 -3.156
67 1HB PRO 10 1HB PRO 10 10.637 3.236 -0.917
68 2HB PRO 10 2HB PRO 10 10.927 3.416 -2.639
69 1HG PRO 10 1HG PRO 10 9.750 5.323 -0.831
70 2HG PRO 10 2HG PRO 10 10.077 5.524 -2.545
71 1HD PRO 10 1HD PRO 10 7.519 5.248 -1.301
72 2HD PRO 10 2HD PRO 10 7.850 5.306 -3.038
73 H ARG 11 H ARG 11 7.837 2.497 -0.020
74 HA ARG 11 HA ARG 11 9.038 0.160 1.215
75 1HB ARG 11 1HB ARG 11 7.022 0.666 2.900
76 2HB ARG 11 2HB ARG 11 8.426 1.711 2.839
77 1HG ARG 11 1HG ARG 11 7.306 3.345 1.483
78 2HG ARG 11 2HG ARG 11 5.987 2.245 1.123
79 1HD ARG 11 1HD ARG 11 6.607 3.261 3.923
80 2HD ARG 11 2HD ARG 11 5.457 4.034 2.829
81 HE ARG 11 HE ARG 11 4.978 1.198 3.057
82 1HH1 ARG 11 1HH1 ARG 11 4.523 4.264 4.612
83 2HH1 ARG 11 2HH1 ARG 11 3.112 3.755 5.474
84 1HH2 ARG 11 1HH2 ARG 11 3.191 0.530 4.144
85 2HH2 ARG 11 2HH2 ARG 11 2.338 1.604 5.204
86 H ILE 12 H ILE 12 6.026 0.876 -0.415
87 HA ILE 12 HA ILE 12 4.903 -1.810 0.059
88 HB ILE 12 HB ILE 12 3.817 0.479 -1.570
89 1HG1 ILE 12 1HG1 ILE 12 3.365 -0.489 1.300
90 2HG1 ILE 12 2HG1 ILE 12 4.110 1.020 0.841
91 1HG2 ILE 12 1HG2 ILE 12 2.890 -1.775 -2.226
92 2HG2 ILE 12 2HG2 ILE 12 2.506 -2.098 -0.542
93 3HG2 ILE 12 3HG2 ILE 12 1.678 -0.822 -1.418
94 1HD1 ILE 12 1HD1 ILE 12 1.992 1.727 -0.223
95 2HD1 ILE 12 2HD1 ILE 12 1.241 0.225 0.317
96 3HD1 ILE 12 3HD1 ILE 12 1.812 1.390 1.500
97 H ALA 13 H ALA 13 4.515 -3.266 -1.697
98 HA ALA 13 HA ALA 13 6.411 -3.022 -3.973
99 1HB ALA 13 1HB ALA 13 4.716 -5.377 -3.035
100 2HB ALA 13 2HB ALA 13 5.891 -5.439 -4.333
101 3HB ALA 13 3HB ALA 13 6.423 -5.114 -2.710
102 H TYR 14 H TYR 14 3.078 -4.037 -3.422
103 HA TYR 14 HA TYR 14 2.011 -2.384 -5.572
104 1HB TYR 14 1HB TYR 14 1.290 -4.282 -7.038
105 2HB TYR 14 2HB TYR 14 3.030 -4.156 -6.966
106 HD1 TYR 14 HD1 TYR 14 4.363 -5.804 -5.743
107 HD2 TYR 14 HD2 TYR 14 0.133 -6.206 -5.987
108 HE1 TYR 14 HE1 TYR 14 4.541 -8.120 -4.974
109 HE2 TYR 14 HE2 TYR 14 0.316 -8.525 -5.222
110 HH TYR 14 HH TYR 14 1.650 -10.145 -4.557
111 H GLY 15 H GLY 15 -0.317 -3.607 -6.124
112 1HA GLY 15 1HA GLY 15 -1.561 -4.703 -3.740
113 2HA GLY 15 2HA GLY 15 -2.034 -3.033 -4.037
114 H VAL 16 H VAL 16 -3.686 -5.280 -3.979
115 HA VAL 16 HA VAL 16 -4.646 -5.558 -6.821
116 HB VAL 16 HB VAL 16 -5.424 -7.308 -4.429
117 1HG1 VAL 16 1HG1 VAL 16 -5.516 -7.800 -7.454
118 2HG1 VAL 16 2HG1 VAL 16 -5.996 -8.949 -6.220
119 3HG1 VAL 16 3HG1 VAL 16 -6.920 -7.482 -6.446
120 1HG2 VAL 16 1HG2 VAL 16 -2.956 -7.384 -4.823
121 2HG2 VAL 16 2HG2 VAL 16 -3.717 -8.909 -5.212
122 3HG2 VAL 16 3HG2 VAL 16 -3.231 -7.803 -6.491
123 H CYS 17 H CYS 17 -7.065 -5.680 -6.966
124 HA CYS 17 HA CYS 17 -8.590 -4.256 -4.899
125 1HB CYS 17 1HB CYS 17 -8.084 -3.109 -7.657
126 2HB CYS 17 2HB CYS 17 -9.272 -2.450 -6.587
127 HA PRO 18 HA PRO 18 -12.351 -6.077 -6.842
128 1HB PRO 18 1HB PRO 18 -13.071 -3.359 -7.805
129 2HB PRO 18 2HB PRO 18 -14.011 -4.502 -6.856
130 1HG PRO 18 1HG PRO 18 -12.611 -2.233 -5.873
131 2HG PRO 18 2HG PRO 18 -13.359 -3.494 -4.904
132 1HD PRO 18 1HD PRO 18 -10.557 -2.971 -5.152
133 2HD PRO 18 2HD PRO 18 -11.301 -4.341 -4.325
134 H ARG 19 H ARG 19 -13.325 -6.268 -8.971
135 HA ARG 19 HA ARG 19 -13.235 -6.702 -11.246
136 1HB ARG 19 1HB ARG 19 -11.099 -4.513 -11.496
137 2HB ARG 19 2HB ARG 19 -12.227 -5.042 -12.717
138 1HG ARG 19 1HG ARG 19 -12.959 -3.514 -10.175
139 2HG ARG 19 2HG ARG 19 -12.921 -2.866 -11.796
140 1HD ARG 19 1HD ARG 19 -14.801 -5.079 -10.838
141 2HD ARG 19 2HD ARG 19 -15.255 -3.415 -11.152
142 HE ARG 19 HE ARG 19 -14.772 -5.486 -13.151
143 1HH1 ARG 19 1HH1 ARG 19 -14.848 -2.077 -12.512
144 2HH1 ARG 19 2HH1 ARG 19 -15.124 -1.662 -14.171
145 1HH2 ARG 19 1HH2 ARG 19 -15.118 -4.978 -15.250
146 2HH2 ARG 19 2HH2 ARG 19 -15.279 -3.325 -15.742
147 H SER 20 H SER 20 -11.529 -7.893 -9.335
148 HA SER 20 HA SER 20 -10.040 -9.748 -10.813
149 1HB SER 20 1HB SER 20 -7.669 -9.048 -10.021
150 2HB SER 20 2HB SER 20 -8.325 -7.913 -11.201
151 HG SER 20 HG SER 20 -9.186 -6.768 -9.319
152 H GLU 21 H GLU 21 -10.553 -11.312 -9.511
153 HA GLU 21 HA GLU 21 -11.232 -10.996 -6.767
154 1HB GLU 21 1HB GLU 21 -10.943 -13.442 -8.545
155 2HB GLU 21 2HB GLU 21 -11.507 -13.537 -6.891
156 1HG GLU 21 1HG GLU 21 -13.437 -13.446 -8.431
157 2HG GLU 21 2HG GLU 21 -13.406 -12.012 -7.428
158 H GLU 22 H GLU 22 -9.441 -10.199 -5.865
159 HA GLU 22 HA GLU 22 -7.332 -10.064 -4.942
160 1HB GLU 22 1HB GLU 22 -9.084 -11.751 -3.599
161 2HB GLU 22 2HB GLU 22 -7.690 -12.792 -3.714
162 1HG GLU 22 1HG GLU 22 -7.771 -9.985 -2.546
163 2HG GLU 22 2HG GLU 22 -7.605 -11.474 -1.636
164 H LYS 23 H LYS 23 -6.933 -10.827 -7.434
165 HA LYS 23 HA LYS 23 -4.969 -13.023 -7.428
166 1HB LYS 23 1HB LYS 23 -6.711 -12.957 -9.231
167 2HB LYS 23 2HB LYS 23 -6.203 -11.346 -9.687
168 1HG LYS 23 1HG LYS 23 -3.871 -12.381 -10.307
169 2HG LYS 23 2HG LYS 23 -4.601 -13.918 -9.975
170 1HD LYS 23 1HD LYS 23 -5.683 -11.967 -12.038
171 2HD LYS 23 2HD LYS 23 -4.606 -13.298 -12.404
172 1HE LYS 23 1HE LYS 23 -6.301 -14.909 -11.496
173 2HE LYS 23 2HE LYS 23 -7.398 -13.566 -11.199
174 1HZ LYS 23 1HZ LYS 23 -6.277 -14.248 -13.846
175 2HZ LYS 23 2HZ LYS 23 -7.815 -14.712 -13.293
176 3HZ LYS 23 3HZ LYS 23 -7.450 -13.067 -13.508
177 H LYS 24 H LYS 24 -4.028 -10.810 -9.754
178 HA LYS 24 HA LYS 24 -2.916 -8.629 -8.373
179 1HB LYS 24 1HB LYS 24 -0.383 -9.660 -8.810
180 2HB LYS 24 2HB LYS 24 -1.177 -9.656 -7.256
181 1HG LYS 24 1HG LYS 24 -1.798 -11.972 -7.404
182 2HG LYS 24 2HG LYS 24 -1.470 -12.027 -9.124
183 1HD LYS 24 1HD LYS 24 0.304 -13.132 -7.755
184 2HD LYS 24 2HD LYS 24 0.932 -11.809 -8.715
185 1HE LYS 24 1HE LYS 24 1.821 -11.807 -6.372
186 2HE LYS 24 2HE LYS 24 0.947 -10.331 -6.737
187 1HZ LYS 24 1HZ LYS 24 -0.200 -12.677 -5.336
188 2HZ LYS 24 2HZ LYS 24 0.384 -11.272 -4.576
189 3HZ LYS 24 3HZ LYS 24 -0.967 -11.185 -5.604
190 H ASN 25 H ASN 25 -2.122 -7.257 -9.859
191 HA ASN 25 HA ASN 25 -2.319 -8.038 -12.670
192 1HB ASN 25 1HB ASN 25 -2.457 -5.535 -11.083
193 2HB ASN 25 2HB ASN 25 -1.566 -5.308 -12.575
194 1HD2 ASN 25 2HD2 ASN 25 -2.703 -5.626 -14.598
195 2HD2 ASN 25 1HD2 ASN 25 -4.398 -5.704 -14.654
196 H ASP 26 H ASP 26 -0.247 -9.281 -11.315
197 HA ASP 26 HA ASP 26 2.002 -9.786 -11.394
198 1HB ASP 26 1HB ASP 26 1.072 -9.212 -14.035
199 2HB ASP 26 2HB ASP 26 2.623 -8.413 -13.958
200 H ARG 27 H ARG 27 2.048 -8.243 -9.632
201 HA ARG 27 HA ARG 27 2.854 -6.459 -8.424
202 1HB ARG 27 1HB ARG 27 4.757 -7.810 -8.470
203 2HB ARG 27 2HB ARG 27 5.051 -7.499 -10.161
204 1HG ARG 27 1HG ARG 27 5.893 -5.241 -9.640
205 2HG ARG 27 2HG ARG 27 5.249 -5.328 -8.013
206 1HD ARG 27 1HD ARG 27 6.942 -7.024 -7.417
207 2HD ARG 27 2HD ARG 27 7.460 -7.147 -9.095
208 HE ARG 27 HE ARG 27 8.795 -5.276 -8.737
209 1HH1 ARG 27 1HH1 ARG 27 6.203 -5.276 -6.432
210 2HH1 ARG 27 2HH1 ARG 27 6.786 -3.864 -5.621
211 1HH2 ARG 27 1HH2 ARG 27 9.545 -3.497 -7.709
212 2HH2 ARG 27 2HH2 ARG 27 8.699 -2.850 -6.343
213 H ILE 28 H ILE 28 1.827 -4.607 -8.775
214 HA ILE 28 HA ILE 28 2.274 -2.938 -11.057
215 HB ILE 28 HB ILE 28 0.733 -2.291 -8.573
216 1HG1 ILE 28 1HG1 ILE 28 -1.386 -3.210 -9.926
217 2HG1 ILE 28 2HG1 ILE 28 -0.224 -4.041 -10.929
218 1HG2 ILE 28 1HG2 ILE 28 0.323 -1.480 -11.419
219 2HG2 ILE 28 2HG2 ILE 28 -0.805 -1.130 -10.112
220 3HG2 ILE 28 3HG2 ILE 28 0.789 -0.444 -10.067
221 1HD1 ILE 28 1HD1 ILE 28 -0.606 -4.513 -7.955
222 2HD1 ILE 28 2HD1 ILE 28 -1.290 -5.495 -9.227
223 3HD1 ILE 28 3HD1 ILE 28 0.429 -5.480 -8.997
224 H CYS 29 H CYS 29 2.400 -0.522 -10.150
225 HA CYS 29 HA CYS 29 4.602 -0.190 -8.160
226 1HB CYS 29 1HB CYS 29 5.203 -0.189 -10.729
227 2HB CYS 29 2HB CYS 29 4.369 1.326 -10.793
228 H THR 30 H THR 30 2.685 0.179 -6.897
229 HA THR 30 HA THR 30 1.557 2.911 -7.242
230 HB THR 30 HB THR 30 -0.097 1.340 -8.149
231 HG1 THR 30 HG1 THR 30 -0.686 3.061 -6.574
232 1HG2 THR 30 1HG2 THR 30 0.076 -0.091 -5.439
233 2HG2 THR 30 2HG2 THR 30 -1.059 -0.470 -6.728
234 3HG2 THR 30 3HG2 THR 30 0.659 -0.738 -6.953
235 H ASN 31 H ASN 31 0.141 3.467 -5.305
236 HA ASN 31 HA ASN 31 1.480 2.789 -2.733
237 1HB ASN 31 1HB ASN 31 1.269 5.280 -2.157
238 2HB ASN 31 2HB ASN 31 2.355 4.973 -3.493
239 1HD2 ASN 31 2HD2 ASN 31 2.103 6.974 -4.546
240 2HD2 ASN 31 1HD2 ASN 31 0.620 7.495 -5.177
241 H CYS 32 H CYS 32 0.131 2.869 -0.912
242 HA CYS 32 HA CYS 32 -2.621 2.144 -1.363
243 1HB CYS 32 1HB CYS 32 -1.295 1.420 0.638
244 2HB CYS 32 2HB CYS 32 -1.262 3.068 1.204
245 H CYS 33 H CYS 33 -0.950 5.059 -0.608
246 HA CYS 33 HA CYS 33 -2.886 6.834 0.280
247 1HB CYS 33 1HB CYS 33 -0.602 7.448 0.255
248 2HB CYS 33 2HB CYS 33 -0.452 7.164 -1.456
249 H ALA 34 H ALA 34 -2.393 5.715 -2.952
250 HA ALA 34 HA ALA 34 -4.425 7.597 -4.058
251 1HB ALA 34 1HB ALA 34 -2.319 7.226 -5.346
252 2HB ALA 34 2HB ALA 34 -2.708 5.516 -5.458
253 3HB ALA 34 3HB ALA 34 -3.728 6.704 -6.255
254 H GLY 35 H GLY 35 -3.719 4.255 -3.565
255 1HA GLY 35 1HA GLY 35 -5.467 2.664 -4.738
256 2HA GLY 35 2HA GLY 35 -5.130 2.467 -3.034
257 H THR 36 H THR 36 -7.430 1.837 -4.681
258 HA THR 36 HA THR 36 -9.614 3.545 -3.717
259 HB THR 36 HB THR 36 -10.044 0.887 -4.948
260 HG1 THR 36 HG1 THR 36 -8.357 1.912 -6.159
261 1HG2 THR 36 1HG2 THR 36 -11.299 3.617 -5.559
262 2HG2 THR 36 2HG2 THR 36 -11.792 2.098 -6.284
263 3HG2 THR 36 3HG2 THR 36 -12.056 2.366 -4.578
264 H LYS 37 H LYS 37 -11.519 2.192 -2.871
265 HA LYS 37 HA LYS 37 -10.655 0.946 -0.363
266 1HB LYS 37 1HB LYS 37 -12.518 2.214 0.038
267 2HB LYS 37 2HB LYS 37 -13.205 1.986 -1.558
268 1HG LYS 37 1HG LYS 37 -13.904 -0.340 -0.900
269 2HG LYS 37 2HG LYS 37 -13.273 -0.056 0.709
270 1HD LYS 37 1HD LYS 37 -15.501 1.563 -0.604
271 2HD LYS 37 2HD LYS 37 -15.765 0.238 0.505
272 1HE LYS 37 1HE LYS 37 -15.959 2.237 1.822
273 2HE LYS 37 2HE LYS 37 -14.390 1.565 2.231
274 1HZ LYS 37 1HZ LYS 37 -14.294 3.355 0.001
275 2HZ LYS 37 2HZ LYS 37 -14.867 4.091 1.419
276 3HZ LYS 37 3HZ LYS 37 -13.354 3.322 1.414
277 H GLY 38 H GLY 38 -11.214 -1.186 0.254
278 1HA GLY 38 1HA GLY 38 -11.784 -3.455 -0.082
279 2HA GLY 38 2HA GLY 38 -12.205 -3.092 -1.749
280 H CYS 39 H CYS 39 -9.442 -1.687 -1.901
281 HA CYS 39 HA CYS 39 -8.037 -3.833 -3.122
282 1HB CYS 39 1HB CYS 39 -7.039 -1.158 -2.117
283 2HB CYS 39 2HB CYS 39 -6.176 -2.170 -3.215
284 H LYS 40 H LYS 40 -5.693 -4.194 -2.578
285 HA LYS 40 HA LYS 40 -5.121 -4.621 0.283
286 1HB LYS 40 1HB LYS 40 -5.193 -6.843 -1.802
287 2HB LYS 40 2HB LYS 40 -4.437 -6.995 -0.226
288 1HG LYS 40 1HG LYS 40 -6.596 -6.557 0.889
289 2HG LYS 40 2HG LYS 40 -7.380 -6.318 -0.665
290 1HD LYS 40 1HD LYS 40 -7.880 -8.566 0.082
291 2HD LYS 40 2HD LYS 40 -6.802 -8.647 -1.297
292 1HE LYS 40 1HE LYS 40 -4.863 -9.036 0.213
293 2HE LYS 40 2HE LYS 40 -5.924 -8.907 1.610
294 1HZ LYS 40 1HZ LYS 40 -7.189 -10.759 0.198
295 2HZ LYS 40 2HZ LYS 40 -5.590 -11.064 -0.287
296 3HZ LYS 40 3HZ LYS 40 -6.001 -11.108 1.359
297 H TYR 41 H TYR 41 -3.487 -3.185 0.165
298 HA TYR 41 HA TYR 41 -1.349 -3.443 -1.821
299 1HB TYR 41 1HB TYR 41 -2.046 -1.489 0.363
300 2HB TYR 41 2HB TYR 41 -0.474 -1.451 -0.386
301 HD1 TYR 41 HD1 TYR 41 -4.129 -1.502 -1.341
302 HD2 TYR 41 HD2 TYR 41 -0.189 -0.216 -2.337
303 HE1 TYR 41 HE1 TYR 41 -5.014 -0.220 -3.236
304 HE2 TYR 41 HE2 TYR 41 -1.083 1.053 -4.211
305 HH TYR 41 HH TYR 41 -3.242 2.120 -4.849
306 H PHE 42 H PHE 42 0.391 -4.686 -1.495
307 HA PHE 42 HA PHE 42 1.368 -5.214 1.243
308 1HB PHE 42 1HB PHE 42 2.199 -7.327 -0.520
309 2HB PHE 42 2HB PHE 42 1.177 -7.354 0.886
310 HD1 PHE 42 HD1 PHE 42 0.868 -6.466 -2.732
311 HD2 PHE 42 HD2 PHE 42 -0.912 -8.231 0.712
312 HE1 PHE 42 HE1 PHE 42 -1.065 -7.146 -4.070
313 HE2 PHE 42 HE2 PHE 42 -2.847 -8.916 -0.632
314 HZ PHE 42 HZ PHE 42 -2.928 -8.382 -3.016
315 H SER 43 H SER 43 3.537 -5.400 1.545
316 HA SER 43 HA SER 43 5.292 -3.823 -0.061
317 1HB SER 43 1HB SER 43 5.649 -5.564 2.387
318 2HB SER 43 2HB SER 43 6.895 -4.557 1.698
319 HG SER 43 HG SER 43 5.479 -2.778 1.867
320 H ASP 44 H ASP 44 7.548 -4.834 -0.079
321 HA ASP 44 HA ASP 44 7.454 -7.029 -2.070
322 1HB ASP 44 1HB ASP 44 8.834 -4.623 -2.028
323 2HB ASP 44 2HB ASP 44 10.084 -5.745 -1.532
324 H ASP 45 H ASP 45 8.525 -6.494 1.155
325 HA ASP 45 HA ASP 45 10.395 -8.727 1.242
326 1HB ASP 45 1HB ASP 45 10.509 -8.249 3.643
327 2HB ASP 45 2HB ASP 45 10.528 -6.730 2.770
328 H GLY 46 H GLY 46 7.226 -8.865 0.707
329 1HA GLY 46 1HA GLY 46 5.753 -10.587 0.764
330 2HA GLY 46 2HA GLY 46 6.946 -11.555 1.646
331 H THR 47 H THR 47 5.076 -8.589 2.163
332 HA THR 47 HA THR 47 3.771 -9.632 4.475
333 HB THR 47 HB THR 47 5.743 -7.303 4.597
334 HG1 THR 47 HG1 THR 47 6.744 -8.686 6.048
335 1HG2 THR 47 1HG2 THR 47 3.952 -8.425 6.849
336 2HG2 THR 47 2HG2 THR 47 5.124 -7.129 7.033
337 3HG2 THR 47 3HG2 THR 47 3.670 -6.867 6.089
338 H PHE 48 H PHE 48 1.880 -8.694 4.838
339 HA PHE 48 HA PHE 48 0.733 -6.994 2.808
340 1HB PHE 48 1HB PHE 48 -0.650 -8.717 3.698
341 2HB PHE 48 2HB PHE 48 -0.288 -8.276 5.357
342 HD1 PHE 48 HD1 PHE 48 -1.309 -6.350 6.396
343 HD2 PHE 48 HD2 PHE 48 -2.318 -7.389 2.384
344 HE1 PHE 48 HE1 PHE 48 -3.245 -4.857 6.502
345 HE2 PHE 48 HE2 PHE 48 -4.259 -5.892 2.500
346 HZ PHE 48 HZ PHE 48 -4.711 -4.622 4.569
347 H VAL 49 H VAL 49 0.249 -4.892 2.843
348 HA VAL 49 HA VAL 49 1.151 -3.278 5.189
349 HB VAL 49 HB VAL 49 0.714 -2.390 2.294
350 1HG1 VAL 49 1HG1 VAL 49 1.935 -0.938 4.671
351 2HG1 VAL 49 2HG1 VAL 49 1.855 -0.332 3.023
352 3HG1 VAL 49 3HG1 VAL 49 0.385 -0.551 3.945
353 1HG2 VAL 49 1HG2 VAL 49 2.626 -3.956 2.608
354 2HG2 VAL 49 2HG2 VAL 49 3.164 -2.337 2.217
355 3HG2 VAL 49 3HG2 VAL 49 3.255 -2.918 3.872
356 H CYS 50 H CYS 50 -1.266 -2.521 2.646
357 HA CYS 50 HA CYS 50 -3.249 -2.003 4.834
358 1HB CYS 50 1HB CYS 50 -3.684 0.128 4.099
359 2HB CYS 50 2HB CYS 50 -2.034 0.049 3.554
360 H GLU 51 H GLU 51 -5.442 -1.761 4.010
361 HA GLU 51 HA GLU 51 -6.035 -3.437 1.644
362 1HB GLU 51 1HB GLU 51 -6.515 -5.033 3.165
363 2HB GLU 51 2HB GLU 51 -6.686 -3.920 4.498
364 1HG GLU 51 1HG GLU 51 -8.772 -5.195 4.047
365 2HG GLU 51 2HG GLU 51 -9.034 -3.479 3.924
366 H GLY 52 H GLY 52 -6.691 -1.883 0.393
367 1HA GLY 52 1HA GLY 52 -8.195 -0.414 -0.566
368 2HA GLY 52 2HA GLY 52 -9.254 -0.661 0.804
369 H GLU 53 H GLU 53 -9.030 1.851 -0.319
370 HA GLU 53 HA GLU 53 -8.201 3.421 1.951
371 1HB GLU 53 1HB GLU 53 -5.994 2.976 0.933
372 2HB GLU 53 2HB GLU 53 -6.528 3.596 -0.601
373 1HG GLU 53 1HG GLU 53 -6.626 5.325 1.903
374 2HG GLU 53 2HG GLU 53 -5.115 5.135 1.047
375 H SER 54 H SER 54 -9.311 3.558 -1.532
376 HA SER 54 HA SER 54 -10.740 6.080 -0.671
377 1HB SER 54 1HB SER 54 -9.607 5.459 -3.468
378 2HB SER 54 2HB SER 54 -10.561 6.872 -3.027
379 HG SER 54 HG SER 54 -8.286 6.057 -1.588
Start of MODEL 6
1 1H MET 1 1H MET 1 -1.281 17.195 3.166
2 2H MET 1 2H MET 1 -0.498 18.644 3.582
3 3H MET 1 3H MET 1 -2.188 18.523 3.712
4 HA MET 1 HA MET 1 -1.705 19.770 1.781
5 1HB MET 1 1HB MET 1 0.476 17.823 1.564
6 2HB MET 1 2HB MET 1 -0.431 17.834 0.066
7 1HG MET 1 1HG MET 1 1.355 19.479 -0.032
8 2HG MET 1 2HG MET 1 -0.196 20.262 -0.098
9 1HE MET 1 1HE MET 1 3.224 20.160 1.364
10 2HE MET 1 2HE MET 1 3.059 20.685 3.030
11 3HE MET 1 3HE MET 1 2.469 19.096 2.577
12 H LYS 2 H LYS 2 -2.965 19.567 -0.099
13 HA LYS 2 HA LYS 2 -5.240 17.935 0.126
14 1HB LYS 2 1HB LYS 2 -5.107 20.110 -1.106
15 2HB LYS 2 2HB LYS 2 -4.095 19.360 -2.320
16 1HG LYS 2 1HG LYS 2 -6.387 19.483 -3.140
17 2HG LYS 2 2HG LYS 2 -5.958 17.802 -2.907
18 1HD LYS 2 1HD LYS 2 -7.158 17.798 -0.709
19 2HD LYS 2 2HD LYS 2 -7.543 19.501 -0.917
20 1HE LYS 2 1HE LYS 2 -8.784 18.944 -2.986
21 2HE LYS 2 2HE LYS 2 -8.381 17.242 -2.763
22 1HZ LYS 2 1HZ LYS 2 -9.558 17.274 -0.662
23 2HZ LYS 2 2HZ LYS 2 -9.952 18.911 -0.885
24 3HZ LYS 2 3HZ LYS 2 -10.581 17.735 -1.938
25 H ALA 3 H ALA 3 -5.834 16.060 -0.746
26 HA ALA 3 HA ALA 3 -5.718 13.928 -1.638
27 1HB ALA 3 1HB ALA 3 -5.499 15.138 -3.790
28 2HB ALA 3 2HB ALA 3 -3.757 15.233 -3.594
29 3HB ALA 3 3HB ALA 3 -4.530 13.676 -3.817
30 H CYS 4 H CYS 4 -4.256 12.082 -2.151
31 HA CYS 4 HA CYS 4 -2.351 11.737 -0.018
32 1HB CYS 4 1HB CYS 4 -3.083 10.029 -2.392
33 2HB CYS 4 2HB CYS 4 -2.065 9.498 -1.091
34 H THR 5 H THR 5 -0.267 10.394 -0.756
35 HA THR 5 HA THR 5 1.472 12.294 -1.997
36 HB THR 5 HB THR 5 1.930 9.369 -1.109
37 HG1 THR 5 HG1 THR 5 2.098 11.917 0.136
38 1HG2 THR 5 1HG2 THR 5 3.826 11.749 -1.326
39 2HG2 THR 5 2HG2 THR 5 4.249 10.110 -0.827
40 3HG2 THR 5 3HG2 THR 5 3.782 10.431 -2.495
41 H LEU 6 H LEU 6 0.097 9.238 -2.913
42 HA LEU 6 HA LEU 6 -0.337 8.267 -4.962
43 1HB LEU 6 1HB LEU 6 0.917 10.681 -6.326
44 2HB LEU 6 2HB LEU 6 -0.274 9.569 -6.962
45 HG LEU 6 HG LEU 6 -0.773 11.532 -4.667
46 1HD1 LEU 6 1HD1 LEU 6 -1.755 11.550 -7.551
47 2HD1 LEU 6 2HD1 LEU 6 -2.232 12.691 -6.303
48 3HD1 LEU 6 3HD1 LEU 6 -0.569 12.648 -6.861
49 1HD2 LEU 6 1HD2 LEU 6 -2.715 9.660 -6.114
50 2HD2 LEU 6 2HD2 LEU 6 -2.163 9.454 -4.461
51 3HD2 LEU 6 3HD2 LEU 6 -3.154 10.835 -4.884
52 H ASN 7 H ASN 7 2.865 9.647 -4.493
53 HA ASN 7 HA ASN 7 4.236 8.250 -6.445
54 1HB ASN 7 1HB ASN 7 5.222 9.288 -3.756
55 2HB ASN 7 2HB ASN 7 6.259 8.862 -5.108
56 1HD2 ASN 7 2HD2 ASN 7 5.795 10.095 -7.209
57 2HD2 ASN 7 1HD2 ASN 7 5.314 11.717 -7.070
58 H CYS 8 H CYS 8 6.171 6.808 -5.634
59 HA CYS 8 HA CYS 8 4.979 4.315 -4.723
60 1HB CYS 8 1HB CYS 8 7.907 4.366 -4.758
61 2HB CYS 8 2HB CYS 8 6.797 3.336 -5.602
62 H ASP 9 H ASP 9 4.829 3.639 -2.770
63 HA ASP 9 HA ASP 9 6.142 5.080 -0.545
64 1HB ASP 9 1HB ASP 9 3.760 4.785 -0.397
65 2HB ASP 9 2HB ASP 9 3.881 3.053 -0.642
66 HA PRO 10 HA PRO 10 9.347 2.155 -0.791
67 1HB PRO 10 1HB PRO 10 10.248 2.313 1.924
68 2HB PRO 10 2HB PRO 10 10.851 3.221 0.547
69 1HG PRO 10 1HG PRO 10 9.071 4.110 2.709
70 2HG PRO 10 2HG PRO 10 9.990 5.078 1.566
71 1HD PRO 10 1HD PRO 10 7.195 4.701 1.513
72 2HD PRO 10 2HD PRO 10 8.172 5.329 0.172
73 H ARG 11 H ARG 11 7.181 1.836 1.894
74 HA ARG 11 HA ARG 11 7.829 -0.848 2.502
75 1HB ARG 11 1HB ARG 11 6.845 0.915 4.058
76 2HB ARG 11 2HB ARG 11 5.345 0.798 3.175
77 1HG ARG 11 1HG ARG 11 5.163 -0.494 5.190
78 2HG ARG 11 2HG ARG 11 5.116 -1.558 3.802
79 1HD ARG 11 1HD ARG 11 7.738 -1.000 5.215
80 2HD ARG 11 2HD ARG 11 6.613 -2.212 5.787
81 HE ARG 11 HE ARG 11 7.179 -2.450 2.951
82 1HH1 ARG 11 1HH1 ARG 11 8.262 -3.261 6.144
83 2HH1 ARG 11 2HH1 ARG 11 9.164 -4.639 5.611
84 1HH2 ARG 11 1HH2 ARG 11 8.327 -4.190 2.259
85 2HH2 ARG 11 2HH2 ARG 11 9.200 -5.175 3.385
86 H ILE 12 H ILE 12 5.481 0.749 0.426
87 HA ILE 12 HA ILE 12 4.023 -1.737 -0.156
88 HB ILE 12 HB ILE 12 3.756 1.062 -1.244
89 1HG1 ILE 12 1HG1 ILE 12 2.122 -0.675 0.675
90 2HG1 ILE 12 2HG1 ILE 12 3.194 0.618 1.176
91 1HG2 ILE 12 1HG2 ILE 12 1.991 -1.401 -1.738
92 2HG2 ILE 12 2HG2 ILE 12 1.620 0.230 -2.269
93 3HG2 ILE 12 3HG2 ILE 12 2.976 -0.615 -2.960
94 1HD1 ILE 12 1HD1 ILE 12 1.829 2.229 -0.061
95 2HD1 ILE 12 2HD1 ILE 12 0.720 0.938 -0.530
96 3HD1 ILE 12 3HD1 ILE 12 0.906 1.362 1.163
97 H ALA 13 H ALA 13 3.926 -2.761 -2.036
98 HA ALA 13 HA ALA 13 6.100 -2.350 -4.047
99 1HB ALA 13 1HB ALA 13 4.759 -4.948 -3.158
100 2HB ALA 13 2HB ALA 13 6.017 -4.823 -4.368
101 3HB ALA 13 3HB ALA 13 6.366 -4.415 -2.698
102 H TYR 14 H TYR 14 2.992 -3.962 -3.601
103 HA TYR 14 HA TYR 14 1.777 -2.496 -5.836
104 1HB TYR 14 1HB TYR 14 1.256 -4.594 -7.149
105 2HB TYR 14 2HB TYR 14 2.969 -4.267 -7.059
106 HD1 TYR 14 HD1 TYR 14 4.399 -5.612 -5.469
107 HD2 TYR 14 HD2 TYR 14 0.346 -6.612 -6.263
108 HE1 TYR 14 HE1 TYR 14 4.785 -7.858 -4.574
109 HE2 TYR 14 HE2 TYR 14 0.727 -8.857 -5.370
110 HH TYR 14 HH TYR 14 2.624 -10.406 -5.038
111 H GLY 15 H GLY 15 -0.435 -3.875 -6.291
112 1HA GLY 15 1HA GLY 15 -1.590 -4.798 -3.753
113 2HA GLY 15 2HA GLY 15 -2.280 -3.312 -4.403
114 H VAL 16 H VAL 16 -4.044 -5.082 -4.078
115 HA VAL 16 HA VAL 16 -4.752 -6.024 -6.803
116 HB VAL 16 HB VAL 16 -4.541 -7.824 -4.356
117 1HG1 VAL 16 1HG1 VAL 16 -5.969 -8.501 -6.959
118 2HG1 VAL 16 2HG1 VAL 16 -5.615 -9.640 -5.672
119 3HG1 VAL 16 3HG1 VAL 16 -6.735 -8.327 -5.387
120 1HG2 VAL 16 1HG2 VAL 16 -3.411 -8.104 -7.162
121 2HG2 VAL 16 2HG2 VAL 16 -2.495 -7.671 -5.728
122 3HG2 VAL 16 3HG2 VAL 16 -3.219 -9.255 -5.846
123 H CYS 17 H CYS 17 -6.979 -6.360 -7.097
124 HA CYS 17 HA CYS 17 -8.846 -5.783 -4.882
125 1HB CYS 17 1HB CYS 17 -7.965 -3.679 -6.537
126 2HB CYS 17 2HB CYS 17 -9.469 -4.150 -7.285
127 HA PRO 18 HA PRO 18 -11.455 -8.640 -6.841
128 1HB PRO 18 1HB PRO 18 -13.721 -6.872 -7.508
129 2HB PRO 18 2HB PRO 18 -13.635 -8.197 -6.357
130 1HG PRO 18 1HG PRO 18 -13.705 -5.500 -5.672
131 2HG PRO 18 2HG PRO 18 -13.142 -6.785 -4.615
132 1HD PRO 18 1HD PRO 18 -11.566 -4.741 -6.062
133 2HD PRO 18 2HD PRO 18 -11.094 -5.718 -4.656
134 H ARG 19 H ARG 19 -12.637 -9.346 -8.784
135 HA ARG 19 HA ARG 19 -12.628 -9.778 -11.055
136 1HB ARG 19 1HB ARG 19 -13.030 -6.787 -10.796
137 2HB ARG 19 2HB ARG 19 -12.630 -7.343 -12.400
138 1HG ARG 19 1HG ARG 19 -14.899 -8.497 -10.743
139 2HG ARG 19 2HG ARG 19 -15.098 -7.220 -11.925
140 1HD ARG 19 1HD ARG 19 -14.205 -8.764 -13.714
141 2HD ARG 19 2HD ARG 19 -14.079 -10.046 -12.522
142 HE ARG 19 HE ARG 19 -16.399 -10.320 -12.580
143 1HH1 ARG 19 1HH1 ARG 19 -15.488 -7.349 -14.121
144 2HH1 ARG 19 2HH1 ARG 19 -17.075 -7.061 -14.748
145 1HH2 ARG 19 1HH2 ARG 19 -18.410 -9.971 -13.364
146 2HH2 ARG 19 2HH2 ARG 19 -18.753 -8.563 -14.313
147 H SER 20 H SER 20 -10.181 -9.722 -9.707
148 HA SER 20 HA SER 20 -7.889 -9.789 -10.004
149 1HB SER 20 1HB SER 20 -8.786 -10.241 -12.921
150 2HB SER 20 2HB SER 20 -7.192 -10.661 -12.273
151 HG SER 20 HG SER 20 -9.703 -11.568 -11.325
152 H GLU 21 H GLU 21 -8.503 -7.375 -9.611
153 HA GLU 21 HA GLU 21 -7.631 -5.551 -11.657
154 1HB GLU 21 1HB GLU 21 -9.457 -5.063 -9.962
155 2HB GLU 21 2HB GLU 21 -8.226 -5.061 -8.720
156 1HG GLU 21 1HG GLU 21 -8.329 -3.155 -11.101
157 2HG GLU 21 2HG GLU 21 -8.855 -2.754 -9.479
158 H GLU 22 H GLU 22 -5.560 -5.330 -12.027
159 HA GLU 22 HA GLU 22 -3.271 -5.038 -11.792
160 1HB GLU 22 1HB GLU 22 -4.288 -3.851 -9.474
161 2HB GLU 22 2HB GLU 22 -3.206 -5.036 -8.810
162 1HG GLU 22 1HG GLU 22 -1.331 -4.113 -10.079
163 2HG GLU 22 2HG GLU 22 -2.405 -3.033 -10.957
164 H LYS 23 H LYS 23 -2.119 -6.748 -12.289
165 HA LYS 23 HA LYS 23 -2.445 -9.318 -11.054
166 1HB LYS 23 1HB LYS 23 -1.340 -10.036 -12.918
167 2HB LYS 23 2HB LYS 23 -1.579 -8.407 -13.492
168 1HG LYS 23 1HG LYS 23 0.720 -7.814 -12.649
169 2HG LYS 23 2HG LYS 23 0.946 -9.496 -12.184
170 1HD LYS 23 1HD LYS 23 0.508 -10.215 -14.537
171 2HD LYS 23 2HD LYS 23 0.280 -8.543 -15.011
172 1HE LYS 23 1HE LYS 23 2.863 -9.719 -13.918
173 2HE LYS 23 2HE LYS 23 2.547 -9.315 -15.594
174 1HZ LYS 23 1HZ LYS 23 1.924 -7.049 -14.194
175 2HZ LYS 23 2HZ LYS 23 3.344 -7.632 -13.467
176 3HZ LYS 23 3HZ LYS 23 3.311 -7.323 -15.135
177 H LYS 24 H LYS 24 -0.809 -10.505 -9.924
178 HA LYS 24 HA LYS 24 0.740 -8.801 -8.054
179 1HB LYS 24 1HB LYS 24 0.313 -11.821 -7.797
180 2HB LYS 24 2HB LYS 24 0.709 -10.677 -6.538
181 1HG LYS 24 1HG LYS 24 -1.518 -10.896 -6.081
182 2HG LYS 24 2HG LYS 24 -1.604 -9.592 -7.252
183 1HD LYS 24 1HD LYS 24 -2.122 -11.232 -9.079
184 2HD LYS 24 2HD LYS 24 -1.972 -12.544 -7.933
185 1HE LYS 24 1HE LYS 24 -4.030 -10.301 -7.783
186 2HE LYS 24 2HE LYS 24 -4.338 -11.935 -8.343
187 1HZ LYS 24 1HZ LYS 24 -3.639 -12.749 -6.159
188 2HZ LYS 24 2HZ LYS 24 -3.480 -11.145 -5.622
189 3HZ LYS 24 3HZ LYS 24 -5.003 -11.739 -6.084
190 H ASN 25 H ASN 25 1.996 -8.577 -10.217
191 HA ASN 25 HA ASN 25 4.551 -9.875 -9.788
192 1HB ASN 25 1HB ASN 25 2.677 -10.873 -11.890
193 2HB ASN 25 2HB ASN 25 4.261 -10.488 -12.535
194 1HD2 ASN 25 2HD2 ASN 25 2.486 -12.791 -10.694
195 2HD2 ASN 25 1HD2 ASN 25 3.797 -13.792 -10.294
196 H ASP 26 H ASP 26 3.496 -7.275 -9.737
197 HA ASP 26 HA ASP 26 5.462 -5.892 -11.391
198 1HB ASP 26 1HB ASP 26 2.769 -6.139 -12.383
199 2HB ASP 26 2HB ASP 26 2.893 -4.501 -11.793
200 H ARG 27 H ARG 27 6.395 -4.801 -9.835
201 HA ARG 27 HA ARG 27 4.932 -3.804 -7.505
202 1HB ARG 27 1HB ARG 27 7.103 -4.725 -7.075
203 2HB ARG 27 2HB ARG 27 7.848 -3.823 -8.372
204 1HG ARG 27 1HG ARG 27 6.632 -1.980 -6.421
205 2HG ARG 27 2HG ARG 27 7.711 -3.092 -5.620
206 1HD ARG 27 1HD ARG 27 9.575 -2.423 -7.010
207 2HD ARG 27 2HD ARG 27 8.532 -1.484 -8.070
208 HE ARG 27 HE ARG 27 8.588 -0.775 -5.185
209 1HH1 ARG 27 1HH1 ARG 27 9.511 -0.019 -8.456
210 2HH1 ARG 27 2HH1 ARG 27 9.901 1.619 -8.067
211 1HH2 ARG 27 1HH2 ARG 27 9.083 1.288 -4.699
212 2HH2 ARG 27 2HH2 ARG 27 9.660 2.370 -5.922
213 H ILE 28 H ILE 28 3.521 -2.388 -8.609
214 HA ILE 28 HA ILE 28 4.324 -0.216 -10.236
215 HB ILE 28 HB ILE 28 1.883 0.137 -8.565
216 1HG1 ILE 28 1HG1 ILE 28 0.727 -1.485 -10.449
217 2HG1 ILE 28 2HG1 ILE 28 2.281 -2.284 -10.360
218 1HG2 ILE 28 1HG2 ILE 28 2.403 0.294 -11.515
219 2HG2 ILE 28 2HG2 ILE 28 0.886 0.712 -10.718
220 3HG2 ILE 28 3HG2 ILE 28 2.329 1.650 -10.391
221 1HD1 ILE 28 1HD1 ILE 28 1.987 -2.497 -7.901
222 2HD1 ILE 28 2HD1 ILE 28 0.436 -1.702 -8.023
223 3HD1 ILE 28 3HD1 ILE 28 0.678 -3.273 -8.779
224 H CYS 29 H CYS 29 3.721 2.062 -9.507
225 HA CYS 29 HA CYS 29 5.161 2.701 -6.978
226 1HB CYS 29 1HB CYS 29 6.135 3.606 -9.033
227 2HB CYS 29 2HB CYS 29 4.614 4.330 -9.480
228 H THR 30 H THR 30 3.551 2.607 -5.483
229 HA THR 30 HA THR 30 1.553 4.773 -5.539
230 HB THR 30 HB THR 30 0.349 2.867 -6.656
231 HG1 THR 30 HG1 THR 30 -0.451 3.198 -3.955
232 1HG2 THR 30 1HG2 THR 30 1.613 0.965 -5.488
233 2HG2 THR 30 2HG2 THR 30 0.791 1.396 -3.996
234 3HG2 THR 30 3HG2 THR 30 -0.131 0.806 -5.368
235 H ASN 31 H ASN 31 0.372 4.944 -3.560
236 HA ASN 31 HA ASN 31 1.940 4.148 -1.147
237 1HB ASN 31 1HB ASN 31 2.081 6.600 -1.726
238 2HB ASN 31 2HB ASN 31 0.334 6.692 -1.681
239 1HD2 ASN 31 2HD2 ASN 31 0.327 8.228 0.009
240 2HD2 ASN 31 1HD2 ASN 31 0.792 7.841 1.594
241 H CYS 32 H CYS 32 0.626 4.009 0.848
242 HA CYS 32 HA CYS 32 -1.621 2.285 0.527
243 1HB CYS 32 1HB CYS 32 -0.402 2.190 2.613
244 2HB CYS 32 2HB CYS 32 -0.623 3.898 2.898
245 H CYS 33 H CYS 33 -1.401 5.665 1.452
246 HA CYS 33 HA CYS 33 -4.162 6.248 1.728
247 1HB CYS 33 1HB CYS 33 -2.321 7.714 2.463
248 2HB CYS 33 2HB CYS 33 -1.867 8.002 0.811
249 H ALA 34 H ALA 34 -2.005 6.462 -1.040
250 HA ALA 34 HA ALA 34 -3.791 7.533 -2.956
251 1HB ALA 34 1HB ALA 34 -1.353 7.336 -3.299
252 2HB ALA 34 2HB ALA 34 -1.482 5.589 -3.377
253 3HB ALA 34 3HB ALA 34 -2.216 6.575 -4.630
254 H GLY 35 H GLY 35 -3.014 4.128 -2.290
255 1HA GLY 35 1HA GLY 35 -4.666 2.915 -4.141
256 2HA GLY 35 2HA GLY 35 -4.214 2.172 -2.615
257 H THR 36 H THR 36 -6.808 2.156 -4.047
258 HA THR 36 HA THR 36 -8.575 3.776 -2.374
259 HB THR 36 HB THR 36 -9.713 1.525 -3.942
260 HG1 THR 36 HG1 THR 36 -8.040 2.444 -5.257
261 1HG2 THR 36 1HG2 THR 36 -11.241 3.277 -2.911
262 2HG2 THR 36 2HG2 THR 36 -10.435 4.497 -3.879
263 3HG2 THR 36 3HG2 THR 36 -11.350 3.226 -4.655
264 H LYS 37 H LYS 37 -10.467 2.700 -1.432
265 HA LYS 37 HA LYS 37 -9.603 0.858 0.662
266 1HB LYS 37 1HB LYS 37 -11.142 2.348 1.542
267 2HB LYS 37 2HB LYS 37 -12.005 2.509 0.028
268 1HG LYS 37 1HG LYS 37 -13.220 0.434 0.415
269 2HG LYS 37 2HG LYS 37 -12.215 0.041 1.795
270 1HD LYS 37 1HD LYS 37 -14.414 0.877 2.521
271 2HD LYS 37 2HD LYS 37 -13.142 1.945 3.060
272 1HE LYS 37 1HE LYS 37 -14.769 2.468 0.535
273 2HE LYS 37 2HE LYS 37 -15.216 3.101 2.111
274 1HZ LYS 37 1HZ LYS 37 -12.571 3.742 1.812
275 2HZ LYS 37 2HZ LYS 37 -13.261 4.039 0.290
276 3HZ LYS 37 3HZ LYS 37 -13.899 4.789 1.674
277 H GLY 38 H GLY 38 -10.239 -1.222 0.974
278 1HA GLY 38 1HA GLY 38 -11.389 -3.258 0.500
279 2HA GLY 38 2HA GLY 38 -11.873 -2.612 -1.063
280 H CYS 39 H CYS 39 -9.264 -1.696 -1.891
281 HA CYS 39 HA CYS 39 -8.202 -4.226 -2.843
282 1HB CYS 39 1HB CYS 39 -6.908 -1.538 -3.040
283 2HB CYS 39 2HB CYS 39 -6.681 -2.888 -4.085
284 H LYS 40 H LYS 40 -6.279 -5.124 -2.296
285 HA LYS 40 HA LYS 40 -5.028 -4.299 0.286
286 1HB LYS 40 1HB LYS 40 -5.162 -6.976 -1.106
287 2HB LYS 40 2HB LYS 40 -4.254 -6.684 0.368
288 1HG LYS 40 1HG LYS 40 -6.364 -5.857 1.468
289 2HG LYS 40 2HG LYS 40 -7.256 -6.237 0.006
290 1HD LYS 40 1HD LYS 40 -6.620 -8.628 0.226
291 2HD LYS 40 2HD LYS 40 -5.710 -8.255 1.681
292 1HE LYS 40 1HE LYS 40 -7.795 -7.438 2.778
293 2HE LYS 40 2HE LYS 40 -8.708 -7.821 1.323
294 1HZ LYS 40 1HZ LYS 40 -8.066 -10.127 1.570
295 2HZ LYS 40 2HZ LYS 40 -7.196 -9.753 2.980
296 3HZ LYS 40 3HZ LYS 40 -8.884 -9.565 2.949
297 H TYR 41 H TYR 41 -3.223 -3.267 0.204
298 HA TYR 41 HA TYR 41 -1.334 -3.654 -2.004
299 1HB TYR 41 1HB TYR 41 -1.719 -1.438 0.040
300 2HB TYR 41 2HB TYR 41 -0.438 -1.479 -1.145
301 HD1 TYR 41 HD1 TYR 41 -0.957 -1.159 -3.562
302 HD2 TYR 41 HD2 TYR 41 -4.040 -1.144 -0.632
303 HE1 TYR 41 HE1 TYR 41 -2.520 -0.232 -5.208
304 HE2 TYR 41 HE2 TYR 41 -5.596 -0.210 -2.266
305 HH TYR 41 HH TYR 41 -4.679 1.176 -5.108
306 H PHE 42 H PHE 42 0.332 -4.805 -1.649
307 HA PHE 42 HA PHE 42 1.472 -5.178 1.055
308 1HB PHE 42 1HB PHE 42 2.234 -7.406 -0.507
309 2HB PHE 42 2HB PHE 42 1.056 -7.354 0.771
310 HD1 PHE 42 HD1 PHE 42 1.137 -6.439 -2.893
311 HD2 PHE 42 HD2 PHE 42 -0.956 -8.216 0.366
312 HE1 PHE 42 HE1 PHE 42 -0.706 -7.098 -4.398
313 HE2 PHE 42 HE2 PHE 42 -2.777 -8.869 -1.145
314 HZ PHE 42 HZ PHE 42 -2.632 -8.316 -3.524
315 H SER 43 H SER 43 3.599 -5.747 1.202
316 HA SER 43 HA SER 43 5.437 -4.117 -0.244
317 1HB SER 43 1HB SER 43 5.833 -6.306 1.817
318 2HB SER 43 2HB SER 43 6.986 -5.070 1.355
319 HG SER 43 HG SER 43 6.055 -3.836 2.731
320 H ASP 44 H ASP 44 7.593 -5.266 -0.595
321 HA ASP 44 HA ASP 44 7.193 -7.233 -2.780
322 1HB ASP 44 1HB ASP 44 8.766 -4.935 -2.606
323 2HB ASP 44 2HB ASP 44 9.948 -6.195 -2.321
324 H ASP 45 H ASP 45 8.794 -6.839 0.279
325 HA ASP 45 HA ASP 45 10.328 -9.293 0.210
326 1HB ASP 45 1HB ASP 45 10.804 -8.816 2.558
327 2HB ASP 45 2HB ASP 45 10.857 -7.299 1.683
328 H GLY 46 H GLY 46 7.055 -8.789 0.394
329 1HA GLY 46 1HA GLY 46 5.378 -10.319 0.586
330 2HA GLY 46 2HA GLY 46 6.519 -11.494 1.276
331 H THR 47 H THR 47 5.024 -8.354 1.961
332 HA THR 47 HA THR 47 4.215 -9.141 4.580
333 HB THR 47 HB THR 47 6.134 -6.809 4.077
334 HG1 THR 47 HG1 THR 47 7.283 -8.645 4.173
335 1HG2 THR 47 1HG2 THR 47 5.036 -7.902 6.743
336 2HG2 THR 47 2HG2 THR 47 6.159 -6.561 6.580
337 3HG2 THR 47 3HG2 THR 47 4.503 -6.389 6.027
338 H PHE 48 H PHE 48 2.116 -8.615 4.368
339 HA PHE 48 HA PHE 48 1.055 -6.695 2.577
340 1HB PHE 48 1HB PHE 48 -0.319 -8.490 3.536
341 2HB PHE 48 2HB PHE 48 -0.097 -7.841 5.152
342 HD1 PHE 48 HD1 PHE 48 -1.178 -6.449 1.783
343 HD2 PHE 48 HD2 PHE 48 -1.934 -6.730 5.971
344 HE1 PHE 48 HE1 PHE 48 -3.151 -5.023 1.538
345 HE2 PHE 48 HE2 PHE 48 -3.906 -5.302 5.712
346 HZ PHE 48 HZ PHE 48 -4.517 -4.448 3.504
347 H VAL 49 H VAL 49 0.573 -4.571 2.702
348 HA VAL 49 HA VAL 49 1.667 -3.114 5.072
349 HB VAL 49 HB VAL 49 0.991 -1.983 2.324
350 1HG1 VAL 49 1HG1 VAL 49 2.693 -0.917 4.625
351 2HG1 VAL 49 2HG1 VAL 49 2.473 -0.121 3.079
352 3HG1 VAL 49 3HG1 VAL 49 1.113 -0.303 4.168
353 1HG2 VAL 49 1HG2 VAL 49 3.642 -2.971 3.436
354 2HG2 VAL 49 2HG2 VAL 49 2.749 -3.714 2.125
355 3HG2 VAL 49 3HG2 VAL 49 3.448 -2.122 1.910
356 H CYS 50 H CYS 50 -1.079 -2.580 2.759
357 HA CYS 50 HA CYS 50 -2.936 -2.347 4.998
358 1HB CYS 50 1HB CYS 50 -3.183 -0.058 5.197
359 2HB CYS 50 2HB CYS 50 -1.540 -0.011 4.623
360 H GLU 51 H GLU 51 -5.126 -1.751 4.234
361 HA GLU 51 HA GLU 51 -5.453 -2.834 1.500
362 1HB GLU 51 1HB GLU 51 -6.793 -4.047 3.044
363 2HB GLU 51 2HB GLU 51 -7.191 -2.626 3.979
364 1HG GLU 51 1HG GLU 51 -8.923 -1.959 2.503
365 2HG GLU 51 2HG GLU 51 -8.302 -2.916 1.168
366 H GLY 52 H GLY 52 -4.378 -0.585 1.219
367 1HA GLY 52 1HA GLY 52 -4.506 1.541 0.286
368 2HA GLY 52 2HA GLY 52 -6.014 1.008 -0.392
369 H GLU 53 H GLU 53 -7.538 2.267 0.008
370 HA GLU 53 HA GLU 53 -9.259 3.308 1.180
371 1HB GLU 53 1HB GLU 53 -8.397 2.661 3.482
372 2HB GLU 53 2HB GLU 53 -7.186 3.929 3.387
373 1HG GLU 53 1HG GLU 53 -9.211 4.577 4.725
374 2HG GLU 53 2HG GLU 53 -8.822 5.694 3.441
375 H SER 54 H SER 54 -8.840 4.301 -0.713
376 HA SER 54 HA SER 54 -7.203 6.278 -1.551
377 1HB SER 54 1HB SER 54 -9.259 7.367 -2.684
378 2HB SER 54 2HB SER 54 -8.992 5.660 -3.014
379 HG SER 54 HG SER 54 -10.423 5.187 -1.299
Start of MODEL 7
1 1H MET 1 1H MET 1 -7.371 11.927 5.935
2 2H MET 1 2H MET 1 -6.666 12.384 7.412
3 3H MET 1 3H MET 1 -7.087 13.567 6.269
4 HA MET 1 HA MET 1 -4.902 13.462 5.823
5 1HB MET 1 1HB MET 1 -3.522 11.425 6.173
6 2HB MET 1 2HB MET 1 -4.467 11.763 7.606
7 1HG MET 1 1HG MET 1 -5.142 9.711 5.476
8 2HG MET 1 2HG MET 1 -4.492 9.366 7.046
9 1HE MET 1 1HE MET 1 -5.873 10.463 9.248
10 2HE MET 1 2HE MET 1 -7.325 9.506 9.456
11 3HE MET 1 3HE MET 1 -5.825 8.695 9.033
12 H LYS 2 H LYS 2 -7.377 12.656 4.276
13 HA LYS 2 HA LYS 2 -6.346 10.996 2.085
14 1HB LYS 2 1HB LYS 2 -8.963 12.545 2.335
15 2HB LYS 2 2HB LYS 2 -8.575 11.367 1.094
16 1HG LYS 2 1HG LYS 2 -8.198 9.674 3.025
17 2HG LYS 2 2HG LYS 2 -8.850 10.886 4.091
18 1HD LYS 2 1HD LYS 2 -10.594 9.266 3.440
19 2HD LYS 2 2HD LYS 2 -10.994 10.884 2.905
20 1HE LYS 2 1HE LYS 2 -11.424 9.101 1.166
21 2HE LYS 2 2HE LYS 2 -10.336 10.344 0.590
22 1HZ LYS 2 1HZ LYS 2 -8.574 8.651 1.581
23 2HZ LYS 2 2HZ LYS 2 -9.822 7.555 1.231
24 3HZ LYS 2 3HZ LYS 2 -9.176 8.526 0.002
25 H ALA 3 H ALA 3 -4.553 12.382 1.641
26 HA ALA 3 HA ALA 3 -4.823 13.915 -0.636
27 1HB ALA 3 1HB ALA 3 -4.252 15.531 1.935
28 2HB ALA 3 2HB ALA 3 -4.144 16.202 0.315
29 3HB ALA 3 3HB ALA 3 -5.699 15.720 0.960
30 H CYS 4 H CYS 4 -3.459 11.914 -0.349
31 HA CYS 4 HA CYS 4 -0.743 12.280 0.636
32 1HB CYS 4 1HB CYS 4 -1.953 10.088 -1.051
33 2HB CYS 4 2HB CYS 4 -0.458 10.000 -0.175
34 H THR 5 H THR 5 1.110 11.812 -0.782
35 HA THR 5 HA THR 5 1.161 13.589 -3.035
36 HB THR 5 HB THR 5 3.313 11.555 -2.174
37 HG1 THR 5 HG1 THR 5 2.462 14.078 -1.184
38 1HG2 THR 5 1HG2 THR 5 3.669 13.050 -4.249
39 2HG2 THR 5 2HG2 THR 5 3.419 14.435 -3.193
40 3HG2 THR 5 3HG2 THR 5 4.794 13.364 -2.927
41 H LEU 6 H LEU 6 0.247 10.407 -2.624
42 HA LEU 6 HA LEU 6 -0.496 8.741 -4.021
43 1HB LEU 6 1HB LEU 6 0.078 10.598 -6.377
44 2HB LEU 6 2HB LEU 6 -1.036 9.255 -6.324
45 HG LEU 6 HG LEU 6 -1.350 11.857 -4.760
46 1HD1 LEU 6 1HD1 LEU 6 -2.898 10.744 -7.130
47 2HD1 LEU 6 2HD1 LEU 6 -3.281 12.225 -6.268
48 3HD1 LEU 6 3HD1 LEU 6 -1.785 12.101 -7.176
49 1HD2 LEU 6 1HD2 LEU 6 -3.218 9.449 -4.921
50 2HD2 LEU 6 2HD2 LEU 6 -2.309 9.942 -3.500
51 3HD2 LEU 6 3HD2 LEU 6 -3.580 10.971 -4.123
52 H ASN 7 H ASN 7 2.605 9.913 -4.084
53 HA ASN 7 HA ASN 7 3.854 8.557 -6.134
54 1HB ASN 7 1HB ASN 7 4.879 9.413 -3.406
55 2HB ASN 7 2HB ASN 7 5.933 8.880 -4.702
56 1HD2 ASN 7 1HD2 ASN 7 3.407 10.539 -6.213
57 2HD2 ASN 7 2HD2 ASN 7 4.133 12.070 -6.280
58 H CYS 8 H CYS 8 5.756 7.006 -5.447
59 HA CYS 8 HA CYS 8 4.460 4.506 -4.558
60 1HB CYS 8 1HB CYS 8 7.307 4.339 -5.185
61 2HB CYS 8 2HB CYS 8 5.970 3.461 -5.844
62 H ASP 9 H ASP 9 4.770 3.655 -2.564
63 HA ASP 9 HA ASP 9 6.592 5.070 -0.708
64 1HB ASP 9 1HB ASP 9 4.320 4.645 0.063
65 2HB ASP 9 2HB ASP 9 4.468 2.947 -0.281
66 HA PRO 10 HA PRO 10 9.757 2.287 -1.828
67 1HB PRO 10 1HB PRO 10 11.195 2.314 0.661
68 2HB PRO 10 2HB PRO 10 11.503 3.286 -0.769
69 1HG PRO 10 1HG PRO 10 10.222 4.072 1.747
70 2HG PRO 10 2HG PRO 10 10.842 5.095 0.460
71 1HD PRO 10 1HD PRO 10 8.112 4.640 1.030
72 2HD PRO 10 2HD PRO 10 8.747 5.352 -0.465
73 H ARG 11 H ARG 11 8.225 1.752 1.210
74 HA ARG 11 HA ARG 11 8.995 -1.030 1.495
75 1HB ARG 11 1HB ARG 11 8.643 0.052 3.509
76 2HB ARG 11 2HB ARG 11 7.313 1.001 2.947
77 1HG ARG 11 1HG ARG 11 6.191 -1.541 2.873
78 2HG ARG 11 2HG ARG 11 7.383 -1.742 4.141
79 1HD ARG 11 1HD ARG 11 5.198 -0.960 5.015
80 2HD ARG 11 2HD ARG 11 6.428 0.271 5.301
81 HE ARG 11 HE ARG 11 5.233 0.772 2.771
82 1HH1 ARG 11 1HH1 ARG 11 4.410 0.777 6.133
83 2HH1 ARG 11 2HH1 ARG 11 3.201 2.003 5.951
84 1HH2 ARG 11 1HH2 ARG 11 3.716 2.324 2.513
85 2HH2 ARG 11 2HH2 ARG 11 2.797 2.892 3.868
86 H ILE 12 H ILE 12 6.241 0.769 0.221
87 HA ILE 12 HA ILE 12 4.550 -1.566 -0.145
88 HB ILE 12 HB ILE 12 4.414 1.214 -1.371
89 1HG1 ILE 12 1HG1 ILE 12 4.164 1.052 1.149
90 2HG1 ILE 12 2HG1 ILE 12 2.787 1.763 0.346
91 1HG2 ILE 12 1HG2 ILE 12 2.306 -0.981 -1.455
92 2HG2 ILE 12 2HG2 ILE 12 2.041 0.687 -1.936
93 3HG2 ILE 12 3HG2 ILE 12 3.174 -0.310 -2.822
94 1HD1 ILE 12 1HD1 ILE 12 3.000 -1.101 1.288
95 2HD1 ILE 12 2HD1 ILE 12 2.100 0.197 2.067
96 3HD1 ILE 12 3HD1 ILE 12 1.595 -0.393 0.496
97 H ALA 13 H ALA 13 4.183 -2.737 -1.889
98 HA ALA 13 HA ALA 13 6.085 -2.487 -4.176
99 1HB ALA 13 1HB ALA 13 4.527 -4.934 -3.211
100 2HB ALA 13 2HB ALA 13 5.645 -4.903 -4.562
101 3HB ALA 13 3HB ALA 13 6.236 -4.622 -2.942
102 H TYR 14 H TYR 14 2.853 -3.768 -3.508
103 HA TYR 14 HA TYR 14 1.572 -2.013 -5.437
104 1HB TYR 14 1HB TYR 14 0.953 -3.811 -7.099
105 2HB TYR 14 2HB TYR 14 2.686 -3.559 -7.019
106 HD1 TYR 14 HD1 TYR 14 -0.045 -5.846 -5.988
107 HD2 TYR 14 HD2 TYR 14 4.166 -5.270 -6.209
108 HE1 TYR 14 HE1 TYR 14 0.309 -8.194 -5.450
109 HE2 TYR 14 HE2 TYR 14 4.519 -7.622 -5.675
110 HH TYR 14 HH TYR 14 3.341 -9.732 -5.779
111 H GLY 15 H GLY 15 -0.671 -3.362 -6.040
112 1HA GLY 15 1HA GLY 15 -1.705 -4.653 -3.617
113 2HA GLY 15 2HA GLY 15 -2.464 -3.116 -4.033
114 H VAL 16 H VAL 16 -3.699 -5.620 -3.854
115 HA VAL 16 HA VAL 16 -4.890 -5.812 -6.574
116 HB VAL 16 HB VAL 16 -3.654 -8.156 -5.050
117 1HG1 VAL 16 1HG1 VAL 16 -5.546 -8.305 -7.422
118 2HG1 VAL 16 2HG1 VAL 16 -4.674 -9.669 -6.750
119 3HG1 VAL 16 3HG1 VAL 16 -5.908 -8.874 -5.800
120 1HG2 VAL 16 1HG2 VAL 16 -3.264 -7.161 -7.898
121 2HG2 VAL 16 2HG2 VAL 16 -2.116 -6.981 -6.582
122 3HG2 VAL 16 3HG2 VAL 16 -2.485 -8.574 -7.202
123 H CYS 17 H CYS 17 -7.007 -6.269 -6.564
124 HA CYS 17 HA CYS 17 -8.391 -6.525 -3.940
125 1HB CYS 17 1HB CYS 17 -10.078 -5.631 -6.145
126 2HB CYS 17 2HB CYS 17 -9.734 -4.843 -4.631
127 HA PRO 18 HA PRO 18 -10.637 -10.179 -5.128
128 1HB PRO 18 1HB PRO 18 -13.312 -8.981 -4.980
129 2HB PRO 18 2HB PRO 18 -12.572 -10.173 -3.925
130 1HG PRO 18 1HG PRO 18 -13.056 -7.483 -3.283
131 2HG PRO 18 2HG PRO 18 -12.015 -8.578 -2.387
132 1HD PRO 18 1HD PRO 18 -11.267 -6.349 -4.159
133 2HD PRO 18 2HD PRO 18 -10.268 -7.197 -2.965
134 H ARG 19 H ARG 19 -12.207 -11.040 -6.722
135 HA ARG 19 HA ARG 19 -12.726 -11.394 -8.938
136 1HB ARG 19 1HB ARG 19 -13.394 -8.406 -9.000
137 2HB ARG 19 2HB ARG 19 -14.155 -9.681 -9.937
138 1HG ARG 19 1HG ARG 19 -15.024 -10.704 -7.836
139 2HG ARG 19 2HG ARG 19 -14.285 -9.420 -6.901
140 1HD ARG 19 1HD ARG 19 -15.688 -7.742 -8.143
141 2HD ARG 19 2HD ARG 19 -16.484 -9.088 -8.955
142 HE ARG 19 HE ARG 19 -17.562 -9.661 -6.949
143 1HH1 ARG 19 1HH1 ARG 19 -15.115 -7.260 -6.403
144 2HH1 ARG 19 2HH1 ARG 19 -15.637 -6.936 -4.786
145 1HH2 ARG 19 1HH2 ARG 19 -18.231 -9.265 -4.901
146 2HH2 ARG 19 2HH2 ARG 19 -17.422 -8.088 -3.920
147 H SER 20 H SER 20 -10.076 -10.538 -8.288
148 HA SER 20 HA SER 20 -8.944 -10.355 -10.926
149 1HB SER 20 1HB SER 20 -7.768 -8.090 -10.526
150 2HB SER 20 2HB SER 20 -9.515 -7.923 -10.713
151 HG SER 20 HG SER 20 -7.954 -7.879 -8.379
152 H GLU 21 H GLU 21 -7.674 -12.044 -10.401
153 HA GLU 21 HA GLU 21 -6.310 -12.307 -7.906
154 1HB GLU 21 1HB GLU 21 -5.921 -13.777 -10.544
155 2HB GLU 21 2HB GLU 21 -5.207 -14.273 -9.020
156 1HG GLU 21 1HG GLU 21 -7.494 -14.520 -8.032
157 2HG GLU 21 2HG GLU 21 -8.206 -14.044 -9.565
158 H GLU 22 H GLU 22 -5.545 -11.159 -11.075
159 HA GLU 22 HA GLU 22 -3.800 -9.974 -11.984
160 1HB GLU 22 1HB GLU 22 -4.221 -8.896 -9.436
161 2HB GLU 22 2HB GLU 22 -2.513 -9.258 -9.384
162 1HG GLU 22 1HG GLU 22 -2.811 -6.976 -10.205
163 2HG GLU 22 2HG GLU 22 -2.204 -7.961 -11.522
164 H LYS 23 H LYS 23 -1.407 -9.684 -12.024
165 HA LYS 23 HA LYS 23 -0.168 -12.298 -12.019
166 1HB LYS 23 1HB LYS 23 0.521 -9.543 -13.007
167 2HB LYS 23 2HB LYS 23 1.872 -10.608 -12.693
168 1HG LYS 23 1HG LYS 23 1.207 -10.843 -15.025
169 2HG LYS 23 2HG LYS 23 0.869 -12.338 -14.176
170 1HD LYS 23 1HD LYS 23 -1.536 -11.677 -13.964
171 2HD LYS 23 2HD LYS 23 -1.193 -10.158 -14.772
172 1HE LYS 23 1HE LYS 23 -2.137 -11.797 -16.365
173 2HE LYS 23 2HE LYS 23 -0.474 -11.437 -16.806
174 1HZ LYS 23 1HZ LYS 23 -1.156 -13.722 -15.069
175 2HZ LYS 23 2HZ LYS 23 -1.175 -13.846 -16.763
176 3HZ LYS 23 3HZ LYS 23 0.266 -13.450 -15.956
177 H LYS 24 H LYS 24 -0.081 -9.412 -10.149
178 HA LYS 24 HA LYS 24 1.150 -8.677 -8.319
179 1HB LYS 24 1HB LYS 24 1.016 -10.820 -6.512
180 2HB LYS 24 2HB LYS 24 -0.240 -9.661 -6.851
181 1HG LYS 24 1HG LYS 24 -1.352 -11.148 -8.392
182 2HG LYS 24 2HG LYS 24 -0.056 -12.323 -8.272
183 1HD LYS 24 1HD LYS 24 -1.903 -13.060 -6.882
184 2HD LYS 24 2HD LYS 24 -0.551 -12.645 -5.857
185 1HE LYS 24 1HE LYS 24 -2.847 -10.721 -6.404
186 2HE LYS 24 2HE LYS 24 -2.835 -11.823 -5.043
187 1HZ LYS 24 1HZ LYS 24 -0.416 -10.562 -4.930
188 2HZ LYS 24 2HZ LYS 24 -1.508 -9.337 -5.371
189 3HZ LYS 24 3HZ LYS 24 -1.775 -10.244 -3.962
190 H ASN 25 H ASN 25 2.880 -9.097 -10.062
191 HA ASN 25 HA ASN 25 5.216 -10.095 -8.644
192 1HB ASN 25 1HB ASN 25 3.958 -11.474 -10.986
193 2HB ASN 25 2HB ASN 25 5.663 -11.158 -11.239
194 1HD2 ASN 25 2HD2 ASN 25 3.364 -12.837 -9.137
195 2HD2 ASN 25 1HD2 ASN 25 4.511 -13.865 -8.422
196 H ASP 26 H ASP 26 4.376 -7.594 -9.041
197 HA ASP 26 HA ASP 26 6.567 -6.376 -10.469
198 1HB ASP 26 1HB ASP 26 4.141 -6.818 -11.953
199 2HB ASP 26 2HB ASP 26 4.140 -5.112 -11.561
200 H ARG 27 H ARG 27 7.147 -4.899 -9.149
201 HA ARG 27 HA ARG 27 5.388 -3.782 -7.101
202 1HB ARG 27 1HB ARG 27 7.596 -4.359 -6.410
203 2HB ARG 27 2HB ARG 27 8.337 -3.569 -7.776
204 1HG ARG 27 1HG ARG 27 6.809 -1.607 -6.210
205 2HG ARG 27 2HG ARG 27 7.904 -2.472 -5.169
206 1HD ARG 27 1HD ARG 27 8.752 -1.085 -7.752
207 2HD ARG 27 2HD ARG 27 8.973 -0.434 -6.135
208 HE ARG 27 HE ARG 27 10.568 -2.505 -7.382
209 1HH1 ARG 27 1HH1 ARG 27 9.342 -1.353 -4.344
210 2HH1 ARG 27 2HH1 ARG 27 10.620 -2.082 -3.431
211 1HH2 ARG 27 1HH2 ARG 27 12.189 -3.425 -6.238
212 2HH2 ARG 27 2HH2 ARG 27 12.250 -3.268 -4.514
213 H ILE 28 H ILE 28 3.935 -2.727 -8.315
214 HA ILE 28 HA ILE 28 4.456 -0.718 -10.257
215 HB ILE 28 HB ILE 28 1.928 -0.589 -8.660
216 1HG1 ILE 28 1HG1 ILE 28 2.402 -2.857 -10.696
217 2HG1 ILE 28 2HG1 ILE 28 2.383 -3.181 -8.990
218 1HG2 ILE 28 1HG2 ILE 28 2.262 0.794 -10.670
219 2HG2 ILE 28 2HG2 ILE 28 2.555 -0.653 -11.620
220 3HG2 ILE 28 3HG2 ILE 28 0.965 -0.342 -10.940
221 1HD1 ILE 28 1HD1 ILE 28 0.073 -2.391 -8.789
222 2HD1 ILE 28 2HD1 ILE 28 0.007 -2.135 -10.528
223 3HD1 ILE 28 3HD1 ILE 28 0.240 -3.748 -9.887
224 H CYS 29 H CYS 29 3.421 1.576 -9.715
225 HA CYS 29 HA CYS 29 4.830 2.557 -7.284
226 1HB CYS 29 1HB CYS 29 5.451 3.648 -9.384
227 2HB CYS 29 2HB CYS 29 3.781 4.062 -9.694
228 H THR 30 H THR 30 3.599 2.623 -5.598
229 HA THR 30 HA THR 30 1.250 4.274 -5.427
230 HB THR 30 HB THR 30 0.106 2.332 -6.511
231 HG1 THR 30 HG1 THR 30 -0.643 3.414 -4.437
232 1HG2 THR 30 1HG2 THR 30 1.206 0.654 -4.191
233 2HG2 THR 30 2HG2 THR 30 0.144 0.089 -5.471
234 3HG2 THR 30 3HG2 THR 30 1.796 0.544 -5.842
235 H ASN 31 H ASN 31 0.234 4.033 -3.232
236 HA ASN 31 HA ASN 31 1.989 2.917 -1.151
237 1HB ASN 31 1HB ASN 31 2.163 5.165 0.015
238 2HB ASN 31 2HB ASN 31 3.016 5.097 -1.517
239 1HD2 ASN 31 2HD2 ASN 31 2.877 7.500 -1.415
240 2HD2 ASN 31 1HD2 ASN 31 1.460 8.263 -1.953
241 H CYS 32 H CYS 32 1.002 2.608 0.815
242 HA CYS 32 HA CYS 32 -1.774 2.128 0.818
243 1HB CYS 32 1HB CYS 32 -0.463 0.980 2.472
244 2HB CYS 32 2HB CYS 32 0.267 2.458 3.047
245 H CYS 33 H CYS 33 -0.040 4.995 1.663
246 HA CYS 33 HA CYS 33 -1.969 6.414 3.150
247 1HB CYS 33 1HB CYS 33 0.377 7.163 2.667
248 2HB CYS 33 2HB CYS 33 -0.094 7.523 1.029
249 H ALA 34 H ALA 34 -1.484 6.230 -0.336
250 HA ALA 34 HA ALA 34 -4.035 7.630 -0.872
251 1HB ALA 34 1HB ALA 34 -2.016 8.167 -2.243
252 2HB ALA 34 2HB ALA 34 -1.967 6.513 -2.820
253 3HB ALA 34 3HB ALA 34 -3.321 7.536 -3.236
254 H GLY 35 H GLY 35 -2.591 4.786 -2.370
255 1HA GLY 35 1HA GLY 35 -3.631 2.940 -3.385
256 2HA GLY 35 2HA GLY 35 -4.014 2.635 -1.707
257 H THR 36 H THR 36 -5.903 1.595 -2.150
258 HA THR 36 HA THR 36 -8.225 3.267 -2.832
259 HB THR 36 HB THR 36 -8.117 0.481 -3.903
260 HG1 THR 36 HG1 THR 36 -6.939 2.852 -4.931
261 1HG2 THR 36 1HG2 THR 36 -9.368 3.027 -5.060
262 2HG2 THR 36 2HG2 THR 36 -9.547 1.412 -5.720
263 3HG2 THR 36 3HG2 THR 36 -10.275 1.804 -4.181
264 H LYS 37 H LYS 37 -10.223 1.748 -2.421
265 HA LYS 37 HA LYS 37 -9.794 0.377 0.215
266 1HB LYS 37 1HB LYS 37 -12.579 1.063 -0.667
267 2HB LYS 37 2HB LYS 37 -11.871 1.159 0.932
268 1HG LYS 37 1HG LYS 37 -10.583 3.206 0.178
269 2HG LYS 37 2HG LYS 37 -11.432 3.091 -1.352
270 1HD LYS 37 1HD LYS 37 -12.834 3.437 1.323
271 2HD LYS 37 2HD LYS 37 -12.447 4.760 0.243
272 1HE LYS 37 1HE LYS 37 -13.846 3.703 -1.545
273 2HE LYS 37 2HE LYS 37 -14.269 2.405 -0.435
274 1HZ LYS 37 1HZ LYS 37 -15.232 4.026 1.051
275 2HZ LYS 37 2HZ LYS 37 -14.836 5.278 -0.026
276 3HZ LYS 37 3HZ LYS 37 -15.960 4.087 -0.482
277 H GLY 38 H GLY 38 -10.441 -1.700 0.416
278 1HA GLY 38 1HA GLY 38 -11.616 -3.702 -0.190
279 2HA GLY 38 2HA GLY 38 -11.877 -3.041 -1.808
280 H CYS 39 H CYS 39 -9.273 -2.149 -2.373
281 HA CYS 39 HA CYS 39 -7.975 -4.675 -3.040
282 1HB CYS 39 1HB CYS 39 -6.925 -1.879 -3.411
283 2HB CYS 39 2HB CYS 39 -6.470 -3.302 -4.288
284 H LYS 40 H LYS 40 -6.105 -5.336 -2.280
285 HA LYS 40 HA LYS 40 -5.158 -4.274 0.342
286 1HB LYS 40 1HB LYS 40 -4.986 -7.043 -0.876
287 2HB LYS 40 2HB LYS 40 -4.230 -6.583 0.636
288 1HG LYS 40 1HG LYS 40 -6.469 -5.942 1.555
289 2HG LYS 40 2HG LYS 40 -7.219 -6.335 0.024
290 1HD LYS 40 1HD LYS 40 -7.640 -8.203 1.449
291 2HD LYS 40 2HD LYS 40 -6.406 -8.731 0.330
292 1HE LYS 40 1HE LYS 40 -5.814 -7.720 3.147
293 2HE LYS 40 2HE LYS 40 -5.977 -9.415 2.727
294 1HZ LYS 40 1HZ LYS 40 -4.190 -8.597 0.923
295 2HZ LYS 40 2HZ LYS 40 -3.800 -7.601 2.243
296 3HZ LYS 40 3HZ LYS 40 -3.798 -9.289 2.424
297 H TYR 41 H TYR 41 -3.350 -3.148 0.294
298 HA TYR 41 HA TYR 41 -1.399 -3.514 -1.844
299 1HB TYR 41 1HB TYR 41 -1.826 -1.353 0.252
300 2HB TYR 41 2HB TYR 41 -0.490 -1.373 -0.864
301 HD1 TYR 41 HD1 TYR 41 -4.219 -1.428 -0.732
302 HD2 TYR 41 HD2 TYR 41 -0.778 -0.547 -3.083
303 HE1 TYR 41 HE1 TYR 41 -5.646 -0.409 -2.434
304 HE2 TYR 41 HE2 TYR 41 -2.214 0.468 -4.789
305 HH TYR 41 HH TYR 41 -5.083 1.537 -4.370
306 H PHE 42 H PHE 42 0.221 -4.734 -1.541
307 HA PHE 42 HA PHE 42 1.379 -5.252 1.117
308 1HB PHE 42 1HB PHE 42 2.208 -7.173 -0.914
309 2HB PHE 42 2HB PHE 42 1.346 -7.428 0.576
310 HD1 PHE 42 HD1 PHE 42 0.794 -6.500 -3.000
311 HD2 PHE 42 HD2 PHE 42 -0.910 -8.020 0.595
312 HE1 PHE 42 HE1 PHE 42 -1.260 -7.107 -4.217
313 HE2 PHE 42 HE2 PHE 42 -2.953 -8.623 -0.622
314 HZ PHE 42 HZ PHE 42 -3.130 -8.169 -3.024
315 H SER 43 H SER 43 3.523 -5.450 1.355
316 HA SER 43 HA SER 43 5.166 -3.610 -0.036
317 1HB SER 43 1HB SER 43 5.679 -5.649 2.150
318 2HB SER 43 2HB SER 43 6.825 -4.440 1.651
319 HG SER 43 HG SER 43 5.085 -2.886 1.966
320 H ASP 44 H ASP 44 7.479 -4.362 -0.165
321 HA ASP 44 HA ASP 44 7.698 -6.178 -2.471
322 1HB ASP 44 1HB ASP 44 8.979 -3.793 -1.743
323 2HB ASP 44 2HB ASP 44 10.198 -4.984 -1.343
324 H ASP 45 H ASP 45 8.422 -6.038 0.868
325 HA ASP 45 HA ASP 45 10.238 -8.280 1.029
326 1HB ASP 45 1HB ASP 45 10.182 -6.513 2.755
327 2HB ASP 45 2HB ASP 45 8.504 -6.869 3.112
328 H GLY 46 H GLY 46 7.016 -8.140 0.245
329 1HA GLY 46 1HA GLY 46 5.446 -9.751 -0.081
330 2HA GLY 46 2HA GLY 46 6.619 -10.964 0.481
331 H THR 47 H THR 47 4.905 -8.144 1.753
332 HA THR 47 HA THR 47 3.669 -9.613 3.859
333 HB THR 47 HB THR 47 5.708 -7.381 4.358
334 HG1 THR 47 HG1 THR 47 6.897 -8.994 5.159
335 1HG2 THR 47 1HG2 THR 47 4.058 -9.004 6.404
336 2HG2 THR 47 2HG2 THR 47 5.243 -7.771 6.803
337 3HG2 THR 47 3HG2 THR 47 3.733 -7.318 6.034
338 H PHE 48 H PHE 48 1.694 -8.931 3.852
339 HA PHE 48 HA PHE 48 0.696 -6.726 2.399
340 1HB PHE 48 1HB PHE 48 -0.699 -8.649 2.932
341 2HB PHE 48 2HB PHE 48 -0.531 -8.351 4.652
342 HD1 PHE 48 HD1 PHE 48 -1.326 -6.047 1.771
343 HD2 PHE 48 HD2 PHE 48 -2.613 -7.690 5.491
344 HE1 PHE 48 HE1 PHE 48 -3.303 -4.617 1.733
345 HE2 PHE 48 HE2 PHE 48 -4.593 -6.248 5.436
346 HZ PHE 48 HZ PHE 48 -4.940 -4.708 3.552
347 H VAL 49 H VAL 49 0.351 -4.656 2.834
348 HA VAL 49 HA VAL 49 1.101 -3.640 5.546
349 HB VAL 49 HB VAL 49 0.900 -2.147 2.890
350 1HG1 VAL 49 1HG1 VAL 49 1.918 -1.220 5.626
351 2HG1 VAL 49 2HG1 VAL 49 1.984 -0.279 4.149
352 3HG1 VAL 49 3HG1 VAL 49 0.436 -0.664 4.867
353 1HG2 VAL 49 1HG2 VAL 49 3.282 -3.052 4.554
354 2HG2 VAL 49 2HG2 VAL 49 2.780 -3.734 3.013
355 3HG2 VAL 49 3HG2 VAL 49 3.373 -2.082 3.096
356 H CYS 50 H CYS 50 -1.288 -2.669 2.975
357 HA CYS 50 HA CYS 50 -3.430 -2.777 4.958
358 1HB CYS 50 1HB CYS 50 -3.715 -0.594 5.552
359 2HB CYS 50 2HB CYS 50 -2.008 -0.481 5.252
360 H GLU 51 H GLU 51 -5.492 -1.877 4.055
361 HA GLU 51 HA GLU 51 -5.519 -2.486 1.157
362 1HB GLU 51 1HB GLU 51 -8.227 -2.065 2.017
363 2HB GLU 51 2HB GLU 51 -7.435 -3.585 1.714
364 1HG GLU 51 1HG GLU 51 -6.703 -3.697 4.102
365 2HG GLU 51 2HG GLU 51 -7.531 -2.178 4.405
366 H GLY 52 H GLY 52 -4.360 -0.521 0.970
367 1HA GLY 52 1HA GLY 52 -4.062 1.749 0.562
368 2HA GLY 52 2HA GLY 52 -5.358 1.407 -0.547
369 H GLU 53 H GLU 53 -6.419 3.324 -0.535
370 HA GLU 53 HA GLU 53 -8.231 3.971 1.547
371 1HB GLU 53 1HB GLU 53 -6.026 4.712 2.691
372 2HB GLU 53 2HB GLU 53 -5.823 5.854 1.390
373 1HG GLU 53 1HG GLU 53 -8.251 6.704 2.165
374 2HG GLU 53 2HG GLU 53 -7.862 5.819 3.620
375 H SER 54 H SER 54 -8.827 3.747 -1.081
376 HA SER 54 HA SER 54 -8.485 5.779 -2.903
377 1HB SER 54 1HB SER 54 -10.149 3.775 -3.167
378 2HB SER 54 2HB SER 54 -11.325 4.812 -2.367
379 HG SER 54 HG SER 54 -9.802 5.496 -4.639
Start of MODEL 8
1 1H MET 1 1H MET 1 -10.597 13.936 -9.469
2 2H MET 1 2H MET 1 -10.081 15.537 -9.702
3 3H MET 1 3H MET 1 -9.150 14.249 -10.297
4 HA MET 1 HA MET 1 -7.961 14.553 -8.456
5 1HB MET 1 1HB MET 1 -8.844 15.701 -6.432
6 2HB MET 1 2HB MET 1 -9.189 16.627 -7.872
7 1HG MET 1 1HG MET 1 -11.154 14.833 -6.413
8 2HG MET 1 2HG MET 1 -11.103 16.564 -6.340
9 1HE MET 1 1HE MET 1 -11.996 13.479 -7.939
10 2HE MET 1 2HE MET 1 -13.666 14.042 -7.863
11 3HE MET 1 3HE MET 1 -12.844 13.830 -9.421
12 H LYS 2 H LYS 2 -9.918 12.366 -9.191
13 HA LYS 2 HA LYS 2 -10.765 11.006 -6.818
14 1HB LYS 2 1HB LYS 2 -10.080 9.870 -9.567
15 2HB LYS 2 2HB LYS 2 -10.984 9.023 -8.323
16 1HG LYS 2 1HG LYS 2 -12.732 10.808 -8.388
17 2HG LYS 2 2HG LYS 2 -11.832 11.637 -9.648
18 1HD LYS 2 1HD LYS 2 -12.051 9.642 -11.126
19 2HD LYS 2 2HD LYS 2 -12.970 8.821 -9.874
20 1HE LYS 2 1HE LYS 2 -14.707 10.602 -9.970
21 2HE LYS 2 2HE LYS 2 -13.785 11.437 -11.215
22 1HZ LYS 2 1HZ LYS 2 -14.009 9.501 -12.628
23 2HZ LYS 2 2HZ LYS 2 -14.906 8.704 -11.427
24 3HZ LYS 2 3HZ LYS 2 -15.528 10.102 -12.164
25 H ALA 3 H ALA 3 -9.659 9.885 -5.398
26 HA ALA 3 HA ALA 3 -7.940 8.819 -4.256
27 1HB ALA 3 1HB ALA 3 -8.189 7.133 -6.063
28 2HB ALA 3 2HB ALA 3 -7.054 8.009 -7.072
29 3HB ALA 3 3HB ALA 3 -6.506 7.272 -5.581
30 H CYS 4 H CYS 4 -5.523 8.586 -4.116
31 HA CYS 4 HA CYS 4 -4.322 11.217 -4.049
32 1HB CYS 4 1HB CYS 4 -2.933 8.562 -3.683
33 2HB CYS 4 2HB CYS 4 -2.511 10.103 -3.010
34 H THR 5 H THR 5 -1.708 10.786 -4.722
35 HA THR 5 HA THR 5 -1.702 11.182 -7.564
36 HB THR 5 HB THR 5 0.669 10.834 -5.607
37 HG1 THR 5 HG1 THR 5 -0.871 12.343 -4.902
38 1HG2 THR 5 1HG2 THR 5 0.241 12.582 -8.082
39 2HG2 THR 5 2HG2 THR 5 1.724 12.440 -7.142
40 3HG2 THR 5 3HG2 THR 5 1.172 11.089 -8.127
41 H LEU 6 H LEU 6 1.054 9.461 -7.117
42 HA LEU 6 HA LEU 6 0.043 6.756 -7.382
43 1HB LEU 6 1HB LEU 6 0.991 6.511 -9.788
44 2HB LEU 6 2HB LEU 6 -0.566 7.266 -9.570
45 HG LEU 6 HG LEU 6 0.483 9.484 -9.665
46 1HD1 LEU 6 1HD1 LEU 6 3.053 7.997 -10.374
47 2HD1 LEU 6 2HD1 LEU 6 2.821 9.729 -10.541
48 3HD1 LEU 6 3HD1 LEU 6 2.799 9.003 -8.954
49 1HD2 LEU 6 1HD2 LEU 6 -0.458 8.491 -11.717
50 2HD2 LEU 6 2HD2 LEU 6 0.954 9.446 -12.133
51 3HD2 LEU 6 3HD2 LEU 6 1.069 7.694 -12.063
52 H ASN 7 H ASN 7 2.491 8.691 -6.446
53 HA ASN 7 HA ASN 7 4.819 7.492 -7.286
54 1HB ASN 7 1HB ASN 7 4.259 8.722 -4.568
55 2HB ASN 7 2HB ASN 7 5.848 8.493 -5.270
56 1HD2 ASN 7 2HD2 ASN 7 2.743 10.190 -5.887
57 2HD2 ASN 7 1HD2 ASN 7 3.441 11.465 -6.763
58 H CYS 8 H CYS 8 6.178 6.062 -6.258
59 HA CYS 8 HA CYS 8 4.799 3.789 -4.985
60 1HB CYS 8 1HB CYS 8 7.572 3.231 -5.189
61 2HB CYS 8 2HB CYS 8 6.258 2.568 -6.095
62 H ASP 9 H ASP 9 4.790 3.386 -2.925
63 HA ASP 9 HA ASP 9 6.422 5.014 -1.077
64 1HB ASP 9 1HB ASP 9 4.006 4.661 -0.570
65 2HB ASP 9 2HB ASP 9 4.265 2.940 -0.556
66 HA PRO 10 HA PRO 10 9.620 1.999 -1.008
67 1HB PRO 10 1HB PRO 10 10.349 2.347 1.763
68 2HB PRO 10 2HB PRO 10 11.132 3.019 0.341
69 1HG PRO 10 1HG PRO 10 9.356 4.338 2.250
70 2HG PRO 10 2HG PRO 10 10.364 5.064 1.007
71 1HD PRO 10 1HD PRO 10 7.550 4.863 0.948
72 2HD PRO 10 2HD PRO 10 8.576 5.263 -0.438
73 H ARG 11 H ARG 11 7.340 1.938 1.582
74 HA ARG 11 HA ARG 11 7.866 -0.833 2.351
75 1HB ARG 11 1HB ARG 11 5.413 0.833 3.022
76 2HB ARG 11 2HB ARG 11 6.013 -0.567 3.882
77 1HG ARG 11 1HG ARG 11 8.065 0.638 4.539
78 2HG ARG 11 2HG ARG 11 7.561 2.055 3.634
79 1HD ARG 11 1HD ARG 11 6.060 0.859 5.994
80 2HD ARG 11 2HD ARG 11 7.001 2.341 6.032
81 HE ARG 11 HE ARG 11 4.360 1.970 4.804
82 1HH1 ARG 11 1HH1 ARG 11 7.198 3.955 5.028
83 2HH1 ARG 11 2HH1 ARG 11 6.378 5.368 4.459
84 1HH2 ARG 11 1HH2 ARG 11 3.318 3.735 4.093
85 2HH2 ARG 11 2HH2 ARG 11 4.150 5.244 3.918
86 H ILE 12 H ILE 12 5.746 0.852 0.175
87 HA ILE 12 HA ILE 12 4.053 -1.511 -0.321
88 HB ILE 12 HB ILE 12 4.114 1.203 -1.687
89 1HG1 ILE 12 1HG1 ILE 12 3.546 1.395 0.727
90 2HG1 ILE 12 2HG1 ILE 12 2.182 1.803 -0.286
91 1HG2 ILE 12 1HG2 ILE 12 1.996 -0.984 -1.838
92 2HG2 ILE 12 2HG2 ILE 12 1.834 0.636 -2.502
93 3HG2 ILE 12 3HG2 ILE 12 3.042 -0.455 -3.141
94 1HD1 ILE 12 1HD1 ILE 12 1.232 -0.440 0.108
95 2HD1 ILE 12 2HD1 ILE 12 2.606 -0.840 1.129
96 3HD1 ILE 12 3HD1 ILE 12 1.491 0.431 1.607
97 H ALA 13 H ALA 13 3.969 -2.648 -2.112
98 HA ALA 13 HA ALA 13 6.181 -2.393 -4.122
99 1HB ALA 13 1HB ALA 13 4.854 -4.907 -3.060
100 2HB ALA 13 2HB ALA 13 6.131 -4.869 -4.260
101 3HB ALA 13 3HB ALA 13 6.452 -4.303 -2.632
102 H TYR 14 H TYR 14 2.996 -3.744 -3.516
103 HA TYR 14 HA TYR 14 1.855 -2.601 -5.956
104 1HB TYR 14 1HB TYR 14 1.305 -4.927 -6.952
105 2HB TYR 14 2HB TYR 14 2.966 -4.395 -7.095
106 HD1 TYR 14 HD1 TYR 14 4.736 -5.453 -5.752
107 HD2 TYR 14 HD2 TYR 14 0.712 -6.766 -5.477
108 HE1 TYR 14 HE1 TYR 14 5.484 -7.467 -4.592
109 HE2 TYR 14 HE2 TYR 14 1.448 -8.791 -4.311
110 HH TYR 14 HH TYR 14 3.466 -10.156 -4.090
111 H GLY 15 H GLY 15 -0.406 -3.917 -6.279
112 1HA GLY 15 1HA GLY 15 -1.546 -4.771 -3.728
113 2HA GLY 15 2HA GLY 15 -2.133 -3.213 -4.283
114 H VAL 16 H VAL 16 -3.675 -5.466 -3.803
115 HA VAL 16 HA VAL 16 -4.727 -6.142 -6.532
116 HB VAL 16 HB VAL 16 -4.589 -7.811 -3.992
117 1HG1 VAL 16 1HG1 VAL 16 -6.216 -8.447 -6.494
118 2HG1 VAL 16 2HG1 VAL 16 -5.953 -9.533 -5.135
119 3HG1 VAL 16 3HG1 VAL 16 -6.893 -8.077 -4.917
120 1HG2 VAL 16 1HG2 VAL 16 -3.700 -8.300 -6.868
121 2HG2 VAL 16 2HG2 VAL 16 -2.632 -7.898 -5.540
122 3HG2 VAL 16 3HG2 VAL 16 -3.489 -9.430 -5.540
123 H CYS 17 H CYS 17 -6.537 -5.161 -6.927
124 HA CYS 17 HA CYS 17 -8.402 -4.424 -4.712
125 1HB CYS 17 1HB CYS 17 -8.052 -3.276 -7.487
126 2HB CYS 17 2HB CYS 17 -9.213 -2.691 -6.342
127 HA PRO 18 HA PRO 18 -11.671 -6.601 -7.114
128 1HB PRO 18 1HB PRO 18 -13.544 -4.393 -6.968
129 2HB PRO 18 2HB PRO 18 -13.599 -5.927 -6.118
130 1HG PRO 18 1HG PRO 18 -13.021 -3.369 -5.003
131 2HG PRO 18 2HG PRO 18 -12.935 -4.919 -4.184
132 1HD PRO 18 1HD PRO 18 -10.739 -3.224 -5.123
133 2HD PRO 18 2HD PRO 18 -10.654 -4.646 -4.070
134 H ARG 19 H ARG 19 -12.856 -6.209 -9.131
135 HA ARG 19 HA ARG 19 -12.642 -5.824 -11.422
136 1HB ARG 19 1HB ARG 19 -12.633 -2.892 -11.280
137 2HB ARG 19 2HB ARG 19 -13.891 -3.988 -11.785
138 1HG ARG 19 1HG ARG 19 -14.631 -4.253 -9.444
139 2HG ARG 19 2HG ARG 19 -13.305 -3.232 -8.894
140 1HD ARG 19 1HD ARG 19 -15.261 -1.887 -9.055
141 2HD ARG 19 2HD ARG 19 -14.100 -1.418 -10.311
142 HE ARG 19 HE ARG 19 -15.993 -3.398 -11.272
143 1HH1 ARG 19 1HH1 ARG 19 -15.551 -0.021 -10.626
144 2HH1 ARG 19 2HH1 ARG 19 -16.725 0.471 -11.799
145 1HH2 ARG 19 1HH2 ARG 19 -17.482 -2.797 -12.758
146 2HH2 ARG 19 2HH2 ARG 19 -17.836 -1.122 -13.024
147 H SER 20 H SER 20 -10.357 -6.436 -10.684
148 HA SER 20 HA SER 20 -8.492 -5.061 -12.478
149 1HB SER 20 1HB SER 20 -6.704 -4.886 -10.639
150 2HB SER 20 2HB SER 20 -8.086 -3.823 -10.337
151 HG SER 20 HG SER 20 -7.396 -6.253 -9.143
152 H GLU 21 H GLU 21 -8.356 -6.797 -13.658
153 HA GLU 21 HA GLU 21 -8.131 -9.477 -12.768
154 1HB GLU 21 1HB GLU 21 -9.131 -8.671 -14.965
155 2HB GLU 21 2HB GLU 21 -7.517 -8.297 -15.515
156 1HG GLU 21 1HG GLU 21 -8.460 -11.085 -14.692
157 2HG GLU 21 2HG GLU 21 -8.393 -10.520 -16.347
158 H GLU 22 H GLU 22 -6.475 -10.662 -12.685
159 HA GLU 22 HA GLU 22 -4.296 -11.511 -12.508
160 1HB GLU 22 1HB GLU 22 -3.913 -9.548 -14.552
161 2HB GLU 22 2HB GLU 22 -2.794 -9.038 -13.313
162 1HG GLU 22 1HG GLU 22 -1.606 -10.566 -14.759
163 2HG GLU 22 2HG GLU 22 -1.908 -11.425 -13.259
164 H LYS 23 H LYS 23 -4.008 -11.650 -10.448
165 HA LYS 23 HA LYS 23 -4.200 -9.478 -8.585
166 1HB LYS 23 1HB LYS 23 -3.656 -12.443 -8.532
167 2HB LYS 23 2HB LYS 23 -3.189 -11.526 -7.123
168 1HG LYS 23 1HG LYS 23 -5.405 -12.345 -6.723
169 2HG LYS 23 2HG LYS 23 -5.480 -10.611 -6.909
170 1HD LYS 23 1HD LYS 23 -5.931 -12.322 -9.360
171 2HD LYS 23 2HD LYS 23 -7.209 -12.232 -8.171
172 1HE LYS 23 1HE LYS 23 -7.360 -9.803 -8.416
173 2HE LYS 23 2HE LYS 23 -5.995 -9.751 -9.507
174 1HZ LYS 23 1HZ LYS 23 -8.060 -11.581 -10.302
175 2HZ LYS 23 2HZ LYS 23 -8.534 -9.949 -10.261
176 3HZ LYS 23 3HZ LYS 23 -7.205 -10.423 -11.205
177 H LYS 24 H LYS 24 -1.486 -11.469 -7.861
178 HA LYS 24 HA LYS 24 0.297 -9.103 -8.092
179 1HB LYS 24 1HB LYS 24 1.872 -11.087 -6.943
180 2HB LYS 24 2HB LYS 24 0.955 -9.905 -6.062
181 1HG LYS 24 1HG LYS 24 -0.288 -12.563 -6.792
182 2HG LYS 24 2HG LYS 24 0.725 -12.389 -5.375
183 1HD LYS 24 1HD LYS 24 -0.718 -10.604 -4.484
184 2HD LYS 24 2HD LYS 24 -1.749 -10.669 -5.889
185 1HE LYS 24 1HE LYS 24 -1.295 -12.946 -3.908
186 2HE LYS 24 2HE LYS 24 -2.736 -11.946 -4.007
187 1HZ LYS 24 1HZ LYS 24 -2.100 -13.088 -6.529
188 2HZ LYS 24 2HZ LYS 24 -2.271 -14.285 -5.338
189 3HZ LYS 24 3HZ LYS 24 -3.532 -13.185 -5.626
190 H ASN 25 H ASN 25 0.720 -9.021 -10.194
191 HA ASN 25 HA ASN 25 2.510 -11.055 -11.303
192 1HB ASN 25 1HB ASN 25 -0.275 -10.518 -12.196
193 2HB ASN 25 2HB ASN 25 0.863 -10.432 -13.526
194 1HD2 ASN 25 2HD2 ASN 25 -0.381 -12.574 -10.982
195 2HD2 ASN 25 1HD2 ASN 25 0.131 -14.016 -11.714
196 H ASP 26 H ASP 26 2.351 -8.163 -10.408
197 HA ASP 26 HA ASP 26 4.385 -7.126 -12.135
198 1HB ASP 26 1HB ASP 26 1.549 -6.435 -12.779
199 2HB ASP 26 2HB ASP 26 2.564 -5.023 -12.582
200 H ARG 27 H ARG 27 5.586 -6.097 -10.744
201 HA ARG 27 HA ARG 27 4.470 -4.998 -8.249
202 1HB ARG 27 1HB ARG 27 6.506 -6.242 -8.022
203 2HB ARG 27 2HB ARG 27 7.284 -5.390 -9.341
204 1HG ARG 27 1HG ARG 27 7.403 -3.312 -8.001
205 2HG ARG 27 2HG ARG 27 6.465 -4.057 -6.723
206 1HD ARG 27 1HD ARG 27 9.162 -5.135 -7.646
207 2HD ARG 27 2HD ARG 27 8.974 -3.967 -6.356
208 HE ARG 27 HE ARG 27 7.881 -5.613 -5.005
209 1HH1 ARG 27 1HH1 ARG 27 8.841 -6.864 -8.106
210 2HH1 ARG 27 2HH1 ARG 27 8.679 -8.509 -7.596
211 1HH2 ARG 27 1HH2 ARG 27 7.675 -7.672 -4.366
212 2HH2 ARG 27 2HH2 ARG 27 8.003 -8.976 -5.457
213 H ILE 28 H ILE 28 3.210 -3.382 -9.203
214 HA ILE 28 HA ILE 28 4.173 -1.325 -10.900
215 HB ILE 28 HB ILE 28 1.856 -0.730 -9.135
216 1HG1 ILE 28 1HG1 ILE 28 0.460 -2.252 -10.942
217 2HG1 ILE 28 2HG1 ILE 28 1.925 -3.204 -10.902
218 1HG2 ILE 28 1HG2 ILE 28 2.252 -0.628 -12.103
219 2HG2 ILE 28 2HG2 ILE 28 0.818 -0.073 -11.240
220 3HG2 ILE 28 3HG2 ILE 28 2.355 0.726 -10.979
221 1HD1 ILE 28 1HD1 ILE 28 1.697 -3.353 -8.405
222 2HD1 ILE 28 2HD1 ILE 28 0.214 -2.437 -8.497
223 3HD1 ILE 28 3HD1 ILE 28 0.306 -4.030 -9.228
224 H CYS 29 H CYS 29 3.837 0.999 -10.185
225 HA CYS 29 HA CYS 29 5.386 1.523 -7.693
226 1HB CYS 29 1HB CYS 29 6.483 2.453 -9.627
227 2HB CYS 29 2HB CYS 29 4.989 3.101 -10.254
228 H THR 30 H THR 30 3.969 1.855 -6.096
229 HA THR 30 HA THR 30 2.077 4.056 -6.262
230 HB THR 30 HB THR 30 0.733 2.276 -7.400
231 HG1 THR 30 HG1 THR 30 -0.021 3.768 -5.584
232 1HG2 THR 30 1HG2 THR 30 1.047 0.723 -4.767
233 2HG2 THR 30 2HG2 THR 30 0.069 0.240 -6.142
234 3HG2 THR 30 3HG2 THR 30 1.819 0.261 -6.272
235 H ASN 31 H ASN 31 0.822 4.284 -4.278
236 HA ASN 31 HA ASN 31 2.220 3.255 -1.848
237 1HB ASN 31 1HB ASN 31 1.930 5.538 -0.852
238 2HB ASN 31 2HB ASN 31 2.947 5.580 -2.281
239 1HD2 ASN 31 2HD2 ASN 31 1.640 7.891 -1.316
240 2HD2 ASN 31 1HD2 ASN 31 0.472 8.368 -2.451
241 H CYS 32 H CYS 32 0.906 3.166 0.039
242 HA CYS 32 HA CYS 32 -1.603 1.993 -0.230
243 1HB CYS 32 1HB CYS 32 -0.378 1.852 1.855
244 2HB CYS 32 2HB CYS 32 -0.474 3.580 2.094
245 H CYS 33 H CYS 33 -0.861 5.383 -0.063
246 HA CYS 33 HA CYS 33 -3.477 6.403 0.471
247 1HB CYS 33 1HB CYS 33 -1.273 7.667 0.535
248 2HB CYS 33 2HB CYS 33 -1.289 7.682 -1.203
249 H ALA 34 H ALA 34 -1.721 6.130 -2.616
250 HA ALA 34 HA ALA 34 -3.835 6.792 -4.363
251 1HB ALA 34 1HB ALA 34 -1.529 4.862 -4.838
252 2HB ALA 34 2HB ALA 34 -2.519 5.574 -6.102
253 3HB ALA 34 3HB ALA 34 -1.495 6.599 -5.113
254 H GLY 35 H GLY 35 -3.030 3.670 -2.931
255 1HA GLY 35 1HA GLY 35 -4.686 2.015 -4.410
256 2HA GLY 35 2HA GLY 35 -4.272 1.726 -2.721
257 H THR 36 H THR 36 -6.848 1.259 -4.013
258 HA THR 36 HA THR 36 -8.574 3.340 -2.848
259 HB THR 36 HB THR 36 -9.781 0.926 -4.137
260 HG1 THR 36 HG1 THR 36 -8.228 2.995 -5.334
261 1HG2 THR 36 1HG2 THR 36 -11.187 2.952 -3.438
262 2HG2 THR 36 2HG2 THR 36 -10.231 3.931 -4.535
263 3HG2 THR 36 3HG2 THR 36 -11.241 2.642 -5.160
264 H LYS 37 H LYS 37 -10.611 2.416 -1.832
265 HA LYS 37 HA LYS 37 -9.801 0.893 0.542
266 1HB LYS 37 1HB LYS 37 -12.724 1.417 0.051
267 2HB LYS 37 2HB LYS 37 -11.781 1.609 1.511
268 1HG LYS 37 1HG LYS 37 -10.780 3.711 0.572
269 2HG LYS 37 2HG LYS 37 -11.732 3.513 -0.887
270 1HD LYS 37 1HD LYS 37 -12.888 5.088 0.517
271 2HD LYS 37 2HD LYS 37 -13.824 3.607 0.474
272 1HE LYS 37 1HE LYS 37 -12.885 2.951 2.704
273 2HE LYS 37 2HE LYS 37 -11.949 4.438 2.737
274 1HZ LYS 37 1HZ LYS 37 -14.896 4.322 2.518
275 2HZ LYS 37 2HZ LYS 37 -14.046 4.540 3.972
276 3HZ LYS 37 3HZ LYS 37 -13.940 5.708 2.743
277 H GLY 38 H GLY 38 -10.205 -1.204 0.892
278 1HA GLY 38 1HA GLY 38 -11.379 -3.294 0.603
279 2HA GLY 38 2HA GLY 38 -11.906 -2.755 -0.990
280 H CYS 39 H CYS 39 -9.120 -1.698 -1.481
281 HA CYS 39 HA CYS 39 -8.019 -3.965 -2.842
282 1HB CYS 39 1HB CYS 39 -6.741 -1.332 -2.059
283 2HB CYS 39 2HB CYS 39 -6.096 -2.447 -3.218
284 H LYS 40 H LYS 40 -5.635 -4.434 -2.512
285 HA LYS 40 HA LYS 40 -4.943 -4.785 0.369
286 1HB LYS 40 1HB LYS 40 -4.852 -7.008 -1.738
287 2HB LYS 40 2HB LYS 40 -4.325 -7.133 -0.068
288 1HG LYS 40 1HG LYS 40 -6.656 -6.652 0.702
289 2HG LYS 40 2HG LYS 40 -7.177 -6.476 -0.959
290 1HD LYS 40 1HD LYS 40 -7.865 -8.653 -0.284
291 2HD LYS 40 2HD LYS 40 -6.518 -8.877 -1.377
292 1HE LYS 40 1HE LYS 40 -6.214 -8.875 1.655
293 2HE LYS 40 2HE LYS 40 -6.458 -10.335 0.709
294 1HZ LYS 40 1HZ LYS 40 -4.428 -9.171 -0.583
295 2HZ LYS 40 2HZ LYS 40 -4.105 -8.717 1.021
296 3HZ LYS 40 3HZ LYS 40 -4.259 -10.359 0.617
297 H TYR 41 H TYR 41 -3.382 -3.243 0.185
298 HA TYR 41 HA TYR 41 -1.310 -3.405 -1.872
299 1HB TYR 41 1HB TYR 41 -2.232 -1.419 0.168
300 2HB TYR 41 2HB TYR 41 -0.530 -1.373 -0.226
301 HD1 TYR 41 HD1 TYR 41 -3.539 -2.078 -2.420
302 HD2 TYR 41 HD2 TYR 41 -0.191 0.428 -1.607
303 HE1 TYR 41 HE1 TYR 41 -3.976 -0.815 -4.470
304 HE2 TYR 41 HE2 TYR 41 -0.631 1.679 -3.645
305 HH TYR 41 HH TYR 41 -2.543 2.168 -5.132
306 H PHE 42 H PHE 42 0.348 -4.710 -1.624
307 HA PHE 42 HA PHE 42 1.491 -5.162 1.073
308 1HB PHE 42 1HB PHE 42 2.335 -7.285 -0.626
309 2HB PHE 42 2HB PHE 42 1.251 -7.304 0.734
310 HD1 PHE 42 HD1 PHE 42 1.004 -6.282 -2.879
311 HD2 PHE 42 HD2 PHE 42 -0.691 -8.335 0.429
312 HE1 PHE 42 HE1 PHE 42 -0.898 -7.017 -4.288
313 HE2 PHE 42 HE2 PHE 42 -2.576 -9.068 -0.972
314 HZ PHE 42 HZ PHE 42 -2.668 -8.411 -3.328
315 H SER 43 H SER 43 3.573 -5.685 1.250
316 HA SER 43 HA SER 43 5.409 -3.986 -0.066
317 1HB SER 43 1HB SER 43 5.868 -6.314 1.867
318 2HB SER 43 2HB SER 43 6.964 -4.990 1.541
319 HG SER 43 HG SER 43 4.980 -3.672 2.095
320 H ASP 44 H ASP 44 7.616 -4.963 -0.402
321 HA ASP 44 HA ASP 44 7.594 -6.371 -2.910
322 1HB ASP 44 1HB ASP 44 9.367 -4.675 -1.584
323 2HB ASP 44 2HB ASP 44 10.203 -6.208 -1.472
324 H ASP 45 H ASP 45 8.629 -7.168 0.313
325 HA ASP 45 HA ASP 45 9.537 -9.835 -0.194
326 1HB ASP 45 1HB ASP 45 10.246 -8.565 1.785
327 2HB ASP 45 2HB ASP 45 8.592 -8.437 2.348
328 H GLY 46 H GLY 46 6.408 -8.575 -0.247
329 1HA GLY 46 1HA GLY 46 4.416 -9.617 -0.617
330 2HA GLY 46 2HA GLY 46 5.220 -11.201 -0.411
331 H THR 47 H THR 47 4.309 -8.275 1.292
332 HA THR 47 HA THR 47 3.284 -9.697 3.546
333 HB THR 47 HB THR 47 5.621 -7.721 3.735
334 HG1 THR 47 HG1 THR 47 6.315 -9.742 3.272
335 1HG2 THR 47 1HG2 THR 47 4.188 -9.265 5.993
336 2HG2 THR 47 2HG2 THR 47 5.554 -8.180 6.208
337 3HG2 THR 47 3HG2 THR 47 3.991 -7.538 5.737
338 H PHE 48 H PHE 48 1.408 -8.896 3.564
339 HA PHE 48 HA PHE 48 0.322 -6.634 2.446
340 1HB PHE 48 1HB PHE 48 -0.978 -8.512 3.315
341 2HB PHE 48 2HB PHE 48 -0.557 -8.085 4.961
342 HD1 PHE 48 HD1 PHE 48 -1.460 -5.997 5.983
343 HD2 PHE 48 HD2 PHE 48 -2.690 -7.271 2.101
344 HE1 PHE 48 HE1 PHE 48 -3.378 -4.480 6.093
345 HE2 PHE 48 HE2 PHE 48 -4.611 -5.750 2.225
346 HZ PHE 48 HZ PHE 48 -4.947 -4.353 4.217
347 H VAL 49 H VAL 49 0.420 -4.609 2.729
348 HA VAL 49 HA VAL 49 1.441 -3.416 5.270
349 HB VAL 49 HB VAL 49 1.115 -2.108 2.533
350 1HG1 VAL 49 1HG1 VAL 49 2.579 -1.174 5.051
351 2HG1 VAL 49 2HG1 VAL 49 2.579 -0.330 3.514
352 3HG1 VAL 49 3HG1 VAL 49 1.092 -0.476 4.427
353 1HG2 VAL 49 1HG2 VAL 49 3.588 -3.201 3.913
354 2HG2 VAL 49 2HG2 VAL 49 2.807 -3.902 2.503
355 3HG2 VAL 49 3HG2 VAL 49 3.575 -2.330 2.387
356 H CYS 50 H CYS 50 -1.164 -2.741 2.806
357 HA CYS 50 HA CYS 50 -3.037 -2.140 4.985
358 1HB CYS 50 1HB CYS 50 -3.169 0.152 4.757
359 2HB CYS 50 2HB CYS 50 -1.520 0.015 4.215
360 H GLU 51 H GLU 51 -5.100 -1.235 3.853
361 HA GLU 51 HA GLU 51 -5.521 -2.934 1.434
362 1HB GLU 51 1HB GLU 51 -8.110 -2.244 2.470
363 2HB GLU 51 2HB GLU 51 -7.276 -3.759 2.676
364 1HG GLU 51 1HG GLU 51 -6.259 -2.958 4.816
365 2HG GLU 51 2HG GLU 51 -7.120 -1.445 4.617
366 H GLY 52 H GLY 52 -4.306 -0.795 0.867
367 1HA GLY 52 1HA GLY 52 -4.288 1.197 -0.363
368 2HA GLY 52 2HA GLY 52 -5.857 0.682 -0.969
369 H GLU 53 H GLU 53 -7.036 2.570 -0.771
370 HA GLU 53 HA GLU 53 -8.567 3.487 1.113
371 1HB GLU 53 1HB GLU 53 -6.803 3.734 2.863
372 2HB GLU 53 2HB GLU 53 -5.838 4.754 1.808
373 1HG GLU 53 1HG GLU 53 -7.194 5.919 3.649
374 2HG GLU 53 2HG GLU 53 -7.474 6.577 2.057
375 H SER 54 H SER 54 -9.185 3.862 -1.064
376 HA SER 54 HA SER 54 -9.920 5.261 -2.757
377 1HB SER 54 1HB SER 54 -10.453 6.869 -0.940
378 2HB SER 54 2HB SER 54 -8.811 7.521 -0.977
379 HG SER 54 HG SER 54 -10.342 7.307 -3.327
Start of MODEL 9
1 1H MET 1 1H MET 1 -8.900 7.627 4.273
2 2H MET 1 2H MET 1 -10.040 7.274 5.481
3 3H MET 1 3H MET 1 -9.843 6.219 4.167
4 HA MET 1 HA MET 1 -11.407 7.257 3.077
5 1HB MET 1 1HB MET 1 -11.620 8.403 5.693
6 2HB MET 1 2HB MET 1 -11.742 9.759 4.597
7 1HG MET 1 1HG MET 1 -13.508 8.537 3.331
8 2HG MET 1 2HG MET 1 -13.392 7.223 4.470
9 1HE MET 1 1HE MET 1 -13.832 11.113 4.410
10 2HE MET 1 2HE MET 1 -15.156 10.387 3.469
11 3HE MET 1 3HE MET 1 -15.485 11.222 4.978
12 H LYS 2 H LYS 2 -11.591 8.648 1.420
13 HA LYS 2 HA LYS 2 -10.894 10.031 -0.293
14 1HB LYS 2 1HB LYS 2 -11.527 11.733 1.416
15 2HB LYS 2 2HB LYS 2 -9.888 11.749 2.036
16 1HG LYS 2 1HG LYS 2 -9.045 12.489 -0.208
17 2HG LYS 2 2HG LYS 2 -10.686 12.494 -0.817
18 1HD LYS 2 1HD LYS 2 -9.691 14.215 1.499
19 2HD LYS 2 2HD LYS 2 -9.854 14.771 -0.153
20 1HE LYS 2 1HE LYS 2 -12.311 14.280 -0.067
21 2HE LYS 2 2HE LYS 2 -12.143 13.790 1.615
22 1HZ LYS 2 1HZ LYS 2 -11.451 16.459 0.544
23 2HZ LYS 2 2HZ LYS 2 -12.870 16.072 1.394
24 3HZ LYS 2 3HZ LYS 2 -11.361 15.973 2.169
25 H ALA 3 H ALA 3 -9.407 8.941 -1.379
26 HA ALA 3 HA ALA 3 -6.919 8.111 -0.724
27 1HB ALA 3 1HB ALA 3 -7.874 9.070 -3.432
28 2HB ALA 3 2HB ALA 3 -6.448 8.076 -3.180
29 3HB ALA 3 3HB ALA 3 -8.037 7.447 -2.781
30 H CYS 4 H CYS 4 -4.879 8.883 -0.680
31 HA CYS 4 HA CYS 4 -4.383 11.677 -0.324
32 1HB CYS 4 1HB CYS 4 -2.804 9.157 -0.342
33 2HB CYS 4 2HB CYS 4 -1.881 10.599 -0.568
34 H THR 5 H THR 5 -1.987 12.168 -1.489
35 HA THR 5 HA THR 5 -2.689 13.171 -4.065
36 HB THR 5 HB THR 5 0.014 13.171 -2.597
37 HG1 THR 5 HG1 THR 5 -1.680 13.904 -1.314
38 1HG2 THR 5 1HG2 THR 5 -1.322 15.196 -4.422
39 2HG2 THR 5 2HG2 THR 5 0.277 15.319 -3.681
40 3HG2 THR 5 3HG2 THR 5 -0.013 14.144 -4.955
41 H LEU 6 H LEU 6 -2.694 10.252 -4.086
42 HA LEU 6 HA LEU 6 -1.944 8.453 -5.376
43 1HB LEU 6 1HB LEU 6 -1.096 10.682 -7.275
44 2HB LEU 6 2HB LEU 6 -1.424 9.019 -7.711
45 HG LEU 6 HG LEU 6 -3.494 10.951 -6.557
46 1HD1 LEU 6 1HD1 LEU 6 -3.130 9.881 -9.387
47 2HD1 LEU 6 2HD1 LEU 6 -4.454 10.900 -8.845
48 3HD1 LEU 6 3HD1 LEU 6 -2.818 11.530 -8.870
49 1HD2 LEU 6 1HD2 LEU 6 -3.833 8.125 -7.671
50 2HD2 LEU 6 2HD2 LEU 6 -3.992 8.567 -5.978
51 3HD2 LEU 6 3HD2 LEU 6 -5.136 9.181 -7.152
52 H ASN 7 H ASN 7 -0.043 9.696 -3.495
53 HA ASN 7 HA ASN 7 2.540 9.834 -4.406
54 1HB ASN 7 1HB ASN 7 1.691 8.783 -1.682
55 2HB ASN 7 2HB ASN 7 3.205 9.573 -2.074
56 1HD2 ASN 7 2HD2 ASN 7 -0.221 10.075 -1.536
57 2HD2 ASN 7 1HD2 ASN 7 -0.160 11.766 -1.431
58 H CYS 8 H CYS 8 4.263 8.364 -3.505
59 HA CYS 8 HA CYS 8 3.798 5.496 -4.334
60 1HB CYS 8 1HB CYS 8 6.174 7.335 -4.390
61 2HB CYS 8 2HB CYS 8 6.390 5.639 -4.370
62 H ASP 9 H ASP 9 4.716 4.057 -2.862
63 HA ASP 9 HA ASP 9 5.545 5.116 -0.207
64 1HB ASP 9 1HB ASP 9 3.293 4.540 -0.281
65 2HB ASP 9 2HB ASP 9 3.615 2.899 -0.785
66 HA PRO 10 HA PRO 10 9.058 2.803 -1.232
67 1HB PRO 10 1HB PRO 10 10.359 2.839 1.267
68 2HB PRO 10 2HB PRO 10 10.433 4.101 0.045
69 1HG PRO 10 1HG PRO 10 8.858 4.015 2.560
70 2HG PRO 10 2HG PRO 10 9.447 5.410 1.666
71 1HD PRO 10 1HD PRO 10 6.786 4.527 1.668
72 2HD PRO 10 2HD PRO 10 7.505 5.573 0.427
73 H ARG 11 H ARG 11 7.345 1.827 1.603
74 HA ARG 11 HA ARG 11 8.551 -0.867 1.578
75 1HB ARG 11 1HB ARG 11 7.181 -1.380 3.531
76 2HB ARG 11 2HB ARG 11 7.997 0.138 3.771
77 1HG ARG 11 1HG ARG 11 5.153 0.157 2.734
78 2HG ARG 11 2HG ARG 11 5.438 -0.182 4.417
79 1HD ARG 11 1HD ARG 11 6.461 2.349 3.048
80 2HD ARG 11 2HD ARG 11 5.014 2.246 4.037
81 HE ARG 11 HE ARG 11 6.928 1.201 5.682
82 1HH1 ARG 11 1HH1 ARG 11 6.688 4.098 3.786
83 2HH1 ARG 11 2HH1 ARG 11 7.670 5.025 4.870
84 1HH2 ARG 11 1HH2 ARG 11 8.176 2.364 7.070
85 2HH2 ARG 11 2HH2 ARG 11 8.523 4.032 6.755
86 H ILE 12 H ILE 12 5.824 0.636 0.085
87 HA ILE 12 HA ILE 12 4.327 -1.904 -0.146
88 HB ILE 12 HB ILE 12 3.798 0.902 -1.083
89 1HG1 ILE 12 1HG1 ILE 12 2.241 -1.113 0.594
90 2HG1 ILE 12 2HG1 ILE 12 3.322 0.060 1.301
91 1HG2 ILE 12 1HG2 ILE 12 2.165 -1.593 -1.811
92 2HG2 ILE 12 2HG2 ILE 12 1.674 0.060 -2.130
93 3HG2 ILE 12 3HG2 ILE 12 3.053 -0.607 -2.962
94 1HD1 ILE 12 1HD1 ILE 12 1.919 1.872 0.305
95 2HD1 ILE 12 2HD1 ILE 12 0.827 0.643 -0.329
96 3HD1 ILE 12 3HD1 ILE 12 1.021 0.830 1.405
97 H ALA 13 H ALA 13 4.226 -3.138 -1.841
98 HA ALA 13 HA ALA 13 6.101 -2.695 -4.112
99 1HB ALA 13 1HB ALA 13 4.600 -5.218 -3.242
100 2HB ALA 13 2HB ALA 13 5.761 -5.123 -4.550
101 3HB ALA 13 3HB ALA 13 6.285 -4.855 -2.902
102 H TYR 14 H TYR 14 2.871 -4.000 -3.476
103 HA TYR 14 HA TYR 14 1.674 -2.258 -5.466
104 1HB TYR 14 1HB TYR 14 0.975 -4.121 -7.046
105 2HB TYR 14 2HB TYR 14 2.684 -3.748 -7.045
106 HD1 TYR 14 HD1 TYR 14 0.148 -6.218 -6.064
107 HD2 TYR 14 HD2 TYR 14 4.307 -5.342 -6.186
108 HE1 TYR 14 HE1 TYR 14 0.660 -8.560 -5.603
109 HE2 TYR 14 HE2 TYR 14 4.823 -7.677 -5.726
110 HH TYR 14 HH TYR 14 2.787 -10.121 -6.143
111 H GLY 15 H GLY 15 -0.491 -2.675 -5.984
112 1HA GLY 15 1HA GLY 15 -2.041 -3.759 -3.682
113 2HA GLY 15 2HA GLY 15 -2.581 -2.458 -4.721
114 H VAL 16 H VAL 16 -3.947 -4.804 -4.051
115 HA VAL 16 HA VAL 16 -4.461 -5.934 -6.775
116 HB VAL 16 HB VAL 16 -3.976 -7.405 -4.162
117 1HG1 VAL 16 1HG1 VAL 16 -5.226 -8.584 -6.662
118 2HG1 VAL 16 2HG1 VAL 16 -4.715 -9.502 -5.257
119 3HG1 VAL 16 3HG1 VAL 16 -6.049 -8.374 -5.120
120 1HG2 VAL 16 1HG2 VAL 16 -2.035 -6.992 -5.673
121 2HG2 VAL 16 2HG2 VAL 16 -2.403 -8.705 -5.589
122 3HG2 VAL 16 3HG2 VAL 16 -2.890 -7.769 -6.993
123 H CYS 17 H CYS 17 -6.446 -5.296 -7.279
124 HA CYS 17 HA CYS 17 -8.466 -4.932 -5.137
125 1HB CYS 17 1HB CYS 17 -8.461 -4.019 -7.988
126 2HB CYS 17 2HB CYS 17 -9.698 -3.655 -6.814
127 HA PRO 18 HA PRO 18 -10.517 -8.792 -6.194
128 1HB PRO 18 1HB PRO 18 -12.996 -7.434 -5.292
129 2HB PRO 18 2HB PRO 18 -12.252 -8.919 -4.712
130 1HG PRO 18 1HG PRO 18 -12.177 -6.472 -3.390
131 2HG PRO 18 2HG PRO 18 -11.062 -7.799 -3.098
132 1HD PRO 18 1HD PRO 18 -10.544 -5.227 -4.423
133 2HD PRO 18 2HD PRO 18 -9.381 -6.436 -3.848
134 H ARG 19 H ARG 19 -11.514 -9.568 -7.928
135 HA ARG 19 HA ARG 19 -12.282 -9.643 -10.111
136 1HB ARG 19 1HB ARG 19 -14.277 -7.498 -9.241
137 2HB ARG 19 2HB ARG 19 -14.498 -8.700 -10.485
138 1HG ARG 19 1HG ARG 19 -15.824 -9.411 -8.648
139 2HG ARG 19 2HG ARG 19 -14.444 -10.481 -8.678
140 1HD ARG 19 1HD ARG 19 -13.453 -9.428 -6.759
141 2HD ARG 19 2HD ARG 19 -14.573 -8.067 -6.819
142 HE ARG 19 HE ARG 19 -15.062 -10.745 -5.741
143 1HH1 ARG 19 1HH1 ARG 19 -16.491 -7.854 -7.021
144 2HH1 ARG 19 2HH1 ARG 19 -18.011 -8.128 -6.239
145 1HH2 ARG 19 1HH2 ARG 19 -16.977 -11.107 -4.747
146 2HH2 ARG 19 2HH2 ARG 19 -18.292 -9.995 -4.935
147 H SER 20 H SER 20 -10.205 -7.808 -9.622
148 HA SER 20 HA SER 20 -9.997 -6.466 -12.141
149 1HB SER 20 1HB SER 20 -9.949 -4.066 -11.197
150 2HB SER 20 2HB SER 20 -11.559 -4.778 -11.073
151 HG SER 20 HG SER 20 -10.507 -5.615 -8.949
152 H GLU 21 H GLU 21 -8.378 -8.178 -11.431
153 HA GLU 21 HA GLU 21 -5.922 -6.866 -10.777
154 1HB GLU 21 1HB GLU 21 -5.489 -8.464 -8.770
155 2HB GLU 21 2HB GLU 21 -6.695 -7.231 -8.482
156 1HG GLU 21 1HG GLU 21 -8.542 -8.805 -8.918
157 2HG GLU 21 2HG GLU 21 -7.462 -10.044 -9.486
158 H GLU 22 H GLU 22 -5.624 -9.998 -9.813
159 HA GLU 22 HA GLU 22 -4.613 -11.849 -10.610
160 1HB GLU 22 1HB GLU 22 -6.932 -11.286 -12.220
161 2HB GLU 22 2HB GLU 22 -5.713 -11.797 -13.360
162 1HG GLU 22 1HG GLU 22 -6.991 -13.743 -12.488
163 2HG GLU 22 2HG GLU 22 -5.302 -13.858 -12.018
164 H LYS 23 H LYS 23 -3.073 -9.743 -10.655
165 HA LYS 23 HA LYS 23 -1.239 -10.159 -12.921
166 1HB LYS 23 1HB LYS 23 -2.198 -7.597 -11.597
167 2HB LYS 23 2HB LYS 23 -0.510 -7.665 -12.029
168 1HG LYS 23 1HG LYS 23 -1.612 -6.629 -13.875
169 2HG LYS 23 2HG LYS 23 -1.218 -8.251 -14.404
170 1HD LYS 23 1HD LYS 23 -3.545 -8.980 -13.908
171 2HD LYS 23 2HD LYS 23 -3.923 -7.359 -13.345
172 1HE LYS 23 1HE LYS 23 -3.441 -6.468 -15.612
173 2HE LYS 23 2HE LYS 23 -3.039 -8.090 -16.167
174 1HZ LYS 23 1HZ LYS 23 -5.278 -8.792 -15.610
175 2HZ LYS 23 2HZ LYS 23 -5.662 -7.217 -15.104
176 3HZ LYS 23 3HZ LYS 23 -5.289 -7.518 -16.734
177 H LYS 24 H LYS 24 -1.086 -8.345 -9.937
178 HA LYS 24 HA LYS 24 0.503 -8.325 -8.252
179 1HB LYS 24 1HB LYS 24 0.149 -10.911 -7.145
180 2HB LYS 24 2HB LYS 24 -0.860 -9.525 -6.854
181 1HG LYS 24 1HG LYS 24 -2.329 -10.205 -8.785
182 2HG LYS 24 2HG LYS 24 -1.351 -11.653 -8.974
183 1HD LYS 24 1HD LYS 24 -1.985 -12.399 -6.717
184 2HD LYS 24 2HD LYS 24 -2.874 -10.907 -6.446
185 1HE LYS 24 1HE LYS 24 -4.358 -11.453 -8.391
186 2HE LYS 24 2HE LYS 24 -3.493 -12.969 -8.611
187 1HZ LYS 24 1HZ LYS 24 -4.135 -13.561 -6.328
188 2HZ LYS 24 2HZ LYS 24 -5.078 -12.150 -6.253
189 3HZ LYS 24 3HZ LYS 24 -5.457 -13.365 -7.376
190 H ASN 25 H ASN 25 1.902 -8.456 -10.312
191 HA ASN 25 HA ASN 25 4.237 -9.975 -9.561
192 1HB ASN 25 1HB ASN 25 2.457 -10.847 -11.811
193 2HB ASN 25 2HB ASN 25 4.127 -10.686 -12.310
194 1HD2 ASN 25 2HD2 ASN 25 1.921 -12.583 -10.407
195 2HD2 ASN 25 1HD2 ASN 25 3.048 -13.755 -9.914
196 H ASP 26 H ASP 26 3.944 -7.420 -9.371
197 HA ASP 26 HA ASP 26 5.929 -6.255 -11.056
198 1HB ASP 26 1HB ASP 26 3.236 -6.113 -12.091
199 2HB ASP 26 2HB ASP 26 3.587 -4.516 -11.466
200 H ARG 27 H ARG 27 6.900 -4.920 -9.773
201 HA ARG 27 HA ARG 27 5.691 -4.058 -7.234
202 1HB ARG 27 1HB ARG 27 7.993 -4.854 -7.107
203 2HB ARG 27 2HB ARG 27 8.492 -3.818 -8.425
204 1HG ARG 27 1HG ARG 27 8.139 -1.789 -7.055
205 2HG ARG 27 2HG ARG 27 7.443 -2.753 -5.773
206 1HD ARG 27 1HD ARG 27 9.702 -3.889 -5.500
207 2HD ARG 27 2HD ARG 27 10.327 -2.841 -6.764
208 HE ARG 27 HE ARG 27 10.412 -1.098 -5.214
209 1HH1 ARG 27 1HH1 ARG 27 8.257 -3.574 -4.088
210 2HH1 ARG 27 2HH1 ARG 27 8.004 -2.808 -2.556
211 1HH2 ARG 27 1HH2 ARG 27 10.102 -0.120 -3.273
212 2HH2 ARG 27 2HH2 ARG 27 9.059 -0.837 -2.088
213 H ILE 28 H ILE 28 4.148 -2.668 -7.965
214 HA ILE 28 HA ILE 28 4.580 -0.464 -9.714
215 HB ILE 28 HB ILE 28 2.382 -0.560 -7.668
216 1HG1 ILE 28 1HG1 ILE 28 2.236 -2.098 -10.337
217 2HG1 ILE 28 2HG1 ILE 28 2.660 -2.961 -8.894
218 1HG2 ILE 28 1HG2 ILE 28 2.466 0.213 -10.586
219 2HG2 ILE 28 2HG2 ILE 28 1.030 0.288 -9.578
220 3HG2 ILE 28 3HG2 ILE 28 2.375 1.330 -9.235
221 1HD1 ILE 28 1HD1 ILE 28 0.486 -2.260 -7.859
222 2HD1 ILE 28 2HD1 ILE 28 0.028 -1.521 -9.381
223 3HD1 ILE 28 3HD1 ILE 28 0.300 -3.251 -9.295
224 H CYS 29 H CYS 29 3.792 1.750 -8.566
225 HA CYS 29 HA CYS 29 5.298 2.247 -6.036
226 1HB CYS 29 1HB CYS 29 6.524 2.798 -8.242
227 2HB CYS 29 2HB CYS 29 5.329 4.021 -8.505
228 H THR 30 H THR 30 3.369 2.236 -5.026
229 HA THR 30 HA THR 30 1.524 4.519 -5.521
230 HB THR 30 HB THR 30 0.441 2.510 -6.508
231 HG1 THR 30 HG1 THR 30 -1.358 2.475 -5.081
232 1HG2 THR 30 1HG2 THR 30 1.687 0.750 -5.132
233 2HG2 THR 30 2HG2 THR 30 0.746 1.243 -3.731
234 3HG2 THR 30 3HG2 THR 30 -0.049 0.520 -5.121
235 H ASN 31 H ASN 31 0.011 4.691 -3.560
236 HA ASN 31 HA ASN 31 1.532 4.290 -1.036
237 1HB ASN 31 1HB ASN 31 1.816 6.567 -1.501
238 2HB ASN 31 2HB ASN 31 0.276 6.727 -2.296
239 1HD2 ASN 31 2HD2 ASN 31 -0.262 8.596 -1.154
240 2HD2 ASN 31 1HD2 ASN 31 -0.635 8.603 0.496
241 H CYS 32 H CYS 32 0.451 3.750 0.765
242 HA CYS 32 HA CYS 32 -1.911 2.220 0.580
243 1HB CYS 32 1HB CYS 32 -0.559 1.872 2.517
244 2HB CYS 32 2HB CYS 32 -0.561 3.570 2.932
245 H CYS 33 H CYS 33 -1.540 5.467 1.942
246 HA CYS 33 HA CYS 33 -4.317 5.949 2.350
247 1HB CYS 33 1HB CYS 33 -2.708 7.318 3.469
248 2HB CYS 33 2HB CYS 33 -1.963 7.796 1.966
249 H ALA 34 H ALA 34 -2.250 6.299 -0.438
250 HA ALA 34 HA ALA 34 -4.204 7.794 -2.029
251 1HB ALA 34 1HB ALA 34 -1.694 6.319 -2.873
252 2HB ALA 34 2HB ALA 34 -2.635 7.412 -3.866
253 3HB ALA 34 3HB ALA 34 -1.778 8.031 -2.461
254 H GLY 35 H GLY 35 -3.631 4.551 -1.237
255 1HA GLY 35 1HA GLY 35 -4.477 3.113 -3.429
256 2HA GLY 35 2HA GLY 35 -4.600 2.562 -1.777
257 H THR 36 H THR 36 -6.502 1.458 -2.653
258 HA THR 36 HA THR 36 -8.916 3.184 -2.650
259 HB THR 36 HB THR 36 -8.917 0.505 -3.909
260 HG1 THR 36 HG1 THR 36 -7.106 1.567 -4.787
261 1HG2 THR 36 1HG2 THR 36 -10.183 3.165 -4.772
262 2HG2 THR 36 2HG2 THR 36 -10.421 1.624 -5.579
263 3HG2 THR 36 3HG2 THR 36 -11.064 1.868 -3.975
264 H LYS 37 H LYS 37 -10.902 1.611 -2.244
265 HA LYS 37 HA LYS 37 -10.421 0.265 0.363
266 1HB LYS 37 1HB LYS 37 -12.171 1.757 0.702
267 2HB LYS 37 2HB LYS 37 -12.703 1.710 -0.964
268 1HG LYS 37 1HG LYS 37 -13.755 -0.514 -0.600
269 2HG LYS 37 2HG LYS 37 -13.208 -0.515 1.065
270 1HD LYS 37 1HD LYS 37 -15.113 1.524 -0.178
271 2HD LYS 37 2HD LYS 37 -15.607 0.170 0.815
272 1HE LYS 37 1HE LYS 37 -13.865 2.501 1.751
273 2HE LYS 37 2HE LYS 37 -15.539 2.209 2.181
274 1HZ LYS 37 1HZ LYS 37 -14.763 0.014 3.073
275 2HZ LYS 37 2HZ LYS 37 -13.179 0.604 2.917
276 3HZ LYS 37 3HZ LYS 37 -14.281 1.395 3.939
277 H GLY 38 H GLY 38 -10.974 -1.887 0.630
278 1HA GLY 38 1HA GLY 38 -11.754 -4.045 0.032
279 2HA GLY 38 2HA GLY 38 -12.163 -3.444 -1.571
280 H CYS 39 H CYS 39 -9.602 -2.245 -2.069
281 HA CYS 39 HA CYS 39 -8.169 -4.488 -3.153
282 1HB CYS 39 1HB CYS 39 -7.310 -1.618 -2.756
283 2HB CYS 39 2HB CYS 39 -6.587 -2.738 -3.878
284 H LYS 40 H LYS 40 -5.825 -4.835 -2.692
285 HA LYS 40 HA LYS 40 -5.071 -4.398 0.166
286 1HB LYS 40 1HB LYS 40 -4.392 -6.799 0.300
287 2HB LYS 40 2HB LYS 40 -6.111 -6.585 0.062
288 1HG LYS 40 1HG LYS 40 -5.602 -6.880 -2.475
289 2HG LYS 40 2HG LYS 40 -4.030 -7.422 -1.980
290 1HD LYS 40 1HD LYS 40 -5.340 -9.397 -2.277
291 2HD LYS 40 2HD LYS 40 -5.196 -9.183 -0.543
292 1HE LYS 40 1HE LYS 40 -7.539 -9.728 -1.209
293 2HE LYS 40 2HE LYS 40 -7.469 -8.139 -0.470
294 1HZ LYS 40 1HZ LYS 40 -7.249 -8.475 -3.393
295 2HZ LYS 40 2HZ LYS 40 -8.761 -8.409 -2.622
296 3HZ LYS 40 3HZ LYS 40 -7.691 -7.095 -2.510
297 H TYR 41 H TYR 41 -3.277 -3.363 0.226
298 HA TYR 41 HA TYR 41 -1.246 -3.575 -1.868
299 1HB TYR 41 1HB TYR 41 -1.768 -1.518 0.300
300 2HB TYR 41 2HB TYR 41 -0.450 -1.463 -0.835
301 HD1 TYR 41 HD1 TYR 41 -4.183 -1.663 -0.713
302 HD2 TYR 41 HD2 TYR 41 -0.783 -0.409 -2.946
303 HE1 TYR 41 HE1 TYR 41 -5.645 -0.557 -2.323
304 HE2 TYR 41 HE2 TYR 41 -2.261 0.697 -4.561
305 HH TYR 41 HH TYR 41 -5.594 1.195 -3.964
306 H PHE 42 H PHE 42 0.334 -4.870 -1.509
307 HA PHE 42 HA PHE 42 1.473 -5.175 1.214
308 1HB PHE 42 1HB PHE 42 2.226 -7.478 -0.214
309 2HB PHE 42 2HB PHE 42 1.012 -7.344 1.021
310 HD1 PHE 42 HD1 PHE 42 1.171 -6.653 -2.668
311 HD2 PHE 42 HD2 PHE 42 -0.991 -8.299 0.620
312 HE1 PHE 42 HE1 PHE 42 -0.594 -7.427 -4.187
313 HE2 PHE 42 HE2 PHE 42 -2.734 -9.067 -0.903
314 HZ PHE 42 HZ PHE 42 -2.540 -8.639 -3.303
315 H SER 43 H SER 43 3.615 -5.633 1.385
316 HA SER 43 HA SER 43 5.384 -4.096 -0.220
317 1HB SER 43 1HB SER 43 5.932 -6.120 1.997
318 2HB SER 43 2HB SER 43 6.980 -4.835 1.427
319 HG SER 43 HG SER 43 5.972 -3.543 2.676
320 H ASP 44 H ASP 44 7.566 -5.196 -0.544
321 HA ASP 44 HA ASP 44 7.177 -7.265 -2.622
322 1HB ASP 44 1HB ASP 44 8.758 -4.976 -2.502
323 2HB ASP 44 2HB ASP 44 9.931 -6.229 -2.174
324 H ASP 45 H ASP 45 8.816 -6.771 0.402
325 HA ASP 45 HA ASP 45 10.298 -9.255 0.398
326 1HB ASP 45 1HB ASP 45 10.805 -8.664 2.748
327 2HB ASP 45 2HB ASP 45 10.982 -7.256 1.717
328 H GLY 46 H GLY 46 7.039 -8.886 0.505
329 1HA GLY 46 1HA GLY 46 5.417 -10.418 0.910
330 2HA GLY 46 2HA GLY 46 6.616 -11.496 1.638
331 H THR 47 H THR 47 5.114 -8.354 2.205
332 HA THR 47 HA THR 47 4.225 -9.062 4.823
333 HB THR 47 HB THR 47 6.328 -6.899 4.305
334 HG1 THR 47 HG1 THR 47 7.481 -8.189 5.716
335 1HG2 THR 47 1HG2 THR 47 4.896 -7.571 6.957
336 2HG2 THR 47 2HG2 THR 47 6.158 -6.364 6.756
337 3HG2 THR 47 3HG2 THR 47 4.576 -6.104 6.046
338 H PHE 48 H PHE 48 2.200 -8.492 4.651
339 HA PHE 48 HA PHE 48 1.141 -6.620 2.808
340 1HB PHE 48 1HB PHE 48 -0.175 -8.466 3.786
341 2HB PHE 48 2HB PHE 48 -0.057 -7.733 5.377
342 HD1 PHE 48 HD1 PHE 48 -0.988 -6.600 1.904
343 HD2 PHE 48 HD2 PHE 48 -1.989 -6.602 6.048
344 HE1 PHE 48 HE1 PHE 48 -2.983 -5.274 1.427
345 HE2 PHE 48 HE2 PHE 48 -3.989 -5.268 5.558
346 HZ PHE 48 HZ PHE 48 -4.478 -4.607 3.247
347 H VAL 49 H VAL 49 0.570 -4.532 2.887
348 HA VAL 49 HA VAL 49 1.517 -2.989 5.270
349 HB VAL 49 HB VAL 49 0.939 -1.978 2.441
350 1HG1 VAL 49 1HG1 VAL 49 2.405 -0.708 4.808
351 2HG1 VAL 49 2HG1 VAL 49 2.226 0.021 3.227
352 3HG1 VAL 49 3HG1 VAL 49 0.816 -0.225 4.238
353 1HG2 VAL 49 1HG2 VAL 49 3.579 -2.708 3.796
354 2HG2 VAL 49 2HG2 VAL 49 2.833 -3.600 2.481
355 3HG2 VAL 49 3HG2 VAL 49 3.441 -1.981 2.210
356 H CYS 50 H CYS 50 -1.180 -2.605 2.827
357 HA CYS 50 HA CYS 50 -3.128 -2.538 4.986
358 1HB CYS 50 1HB CYS 50 -3.507 -0.291 5.272
359 2HB CYS 50 2HB CYS 50 -1.842 -0.136 4.795
360 H GLU 51 H GLU 51 -5.335 -1.825 4.132
361 HA GLU 51 HA GLU 51 -5.621 -2.971 1.447
362 1HB GLU 51 1HB GLU 51 -8.041 -2.180 3.084
363 2HB GLU 51 2HB GLU 51 -7.743 -3.613 2.135
364 1HG GLU 51 1HG GLU 51 -6.369 -4.582 3.918
365 2HG GLU 51 2HG GLU 51 -6.539 -3.124 4.883
366 H GLY 52 H GLY 52 -4.485 -0.742 1.112
367 1HA GLY 52 1HA GLY 52 -4.518 1.353 0.094
368 2HA GLY 52 2HA GLY 52 -6.017 0.819 -0.642
369 H GLU 53 H GLU 53 -7.048 2.846 -0.506
370 HA GLU 53 HA GLU 53 -8.520 3.466 1.804
371 1HB GLU 53 1HB GLU 53 -6.238 4.222 2.714
372 2HB GLU 53 2HB GLU 53 -6.159 5.345 1.386
373 1HG GLU 53 1HG GLU 53 -8.613 6.046 2.461
374 2HG GLU 53 2HG GLU 53 -7.827 5.391 3.878
375 H SER 54 H SER 54 -9.528 3.312 -0.590
376 HA SER 54 HA SER 54 -9.530 5.253 -2.505
377 1HB SER 54 1HB SER 54 -11.134 3.339 -2.490
378 2HB SER 54 2HB SER 54 -12.097 4.158 -1.262
379 HG SER 54 HG SER 54 -12.371 5.868 -2.685
Start of MODEL 10
1 1H MET 1 1H MET 1 -10.043 14.373 3.201
2 2H MET 1 2H MET 1 -9.875 14.512 4.885
3 3H MET 1 3H MET 1 -10.004 15.908 3.925
4 HA MET 1 HA MET 1 -7.755 15.654 4.556
5 1HB MET 1 1HB MET 1 -8.342 12.866 4.315
6 2HB MET 1 2HB MET 1 -7.137 13.176 3.087
7 1HG MET 1 1HG MET 1 -5.723 14.300 4.821
8 2HG MET 1 2HG MET 1 -6.918 13.892 6.020
9 1HE MET 1 1HE MET 1 -4.828 12.190 3.167
10 2HE MET 1 2HE MET 1 -3.710 12.961 4.319
11 3HE MET 1 3HE MET 1 -3.762 11.214 4.158
12 H LYS 2 H LYS 2 -6.068 16.183 3.169
13 HA LYS 2 HA LYS 2 -6.901 17.200 0.603
14 1HB LYS 2 1HB LYS 2 -5.246 18.359 2.059
15 2HB LYS 2 2HB LYS 2 -4.155 17.007 1.917
16 1HG LYS 2 1HG LYS 2 -3.284 18.657 0.461
17 2HG LYS 2 2HG LYS 2 -4.027 17.496 -0.603
18 1HD LYS 2 1HD LYS 2 -5.558 19.960 0.298
19 2HD LYS 2 2HD LYS 2 -4.401 20.068 -1.007
20 1HE LYS 2 1HE LYS 2 -5.677 18.299 -2.254
21 2HE LYS 2 2HE LYS 2 -6.899 18.314 -0.992
22 1HZ LYS 2 1HZ LYS 2 -7.250 20.652 -1.386
23 2HZ LYS 2 2HZ LYS 2 -6.101 20.626 -2.636
24 3HZ LYS 2 3HZ LYS 2 -7.533 19.725 -2.781
25 H ALA 3 H ALA 3 -6.157 16.561 -1.445
26 HA ALA 3 HA ALA 3 -6.226 13.976 -2.200
27 1HB ALA 3 1HB ALA 3 -6.268 15.850 -3.779
28 2HB ALA 3 2HB ALA 3 -4.567 16.172 -3.486
29 3HB ALA 3 3HB ALA 3 -5.055 14.688 -4.293
30 H CYS 4 H CYS 4 -4.965 12.212 -2.147
31 HA CYS 4 HA CYS 4 -2.544 12.137 -0.652
32 1HB CYS 4 1HB CYS 4 -3.745 10.122 -2.540
33 2HB CYS 4 2HB CYS 4 -2.458 9.799 -1.423
34 H THR 5 H THR 5 -0.562 11.099 -1.410
35 HA THR 5 HA THR 5 0.511 12.450 -3.754
36 HB THR 5 HB THR 5 1.867 10.747 -1.567
37 HG1 THR 5 HG1 THR 5 0.734 12.580 -0.803
38 1HG2 THR 5 1HG2 THR 5 3.166 11.267 -3.684
39 2HG2 THR 5 2HG2 THR 5 2.871 12.976 -3.383
40 3HG2 THR 5 3HG2 THR 5 3.832 12.029 -2.240
41 H LEU 6 H LEU 6 0.721 11.472 -5.548
42 HA LEU 6 HA LEU 6 -0.102 8.732 -6.013
43 1HB LEU 6 1HB LEU 6 1.299 10.658 -7.910
44 2HB LEU 6 2HB LEU 6 0.387 9.236 -8.378
45 HG LEU 6 HG LEU 6 -0.792 11.665 -6.930
46 1HD1 LEU 6 1HD1 LEU 6 -1.051 10.772 -9.837
47 2HD1 LEU 6 2HD1 LEU 6 -1.895 12.132 -9.110
48 3HD1 LEU 6 3HD1 LEU 6 -0.148 12.171 -9.274
49 1HD2 LEU 6 1HD2 LEU 6 -2.173 9.224 -8.149
50 2HD2 LEU 6 2HD2 LEU 6 -2.035 9.550 -6.429
51 3HD2 LEU 6 3HD2 LEU 6 -2.987 10.611 -7.443
52 H ASN 7 H ASN 7 2.802 9.972 -4.946
53 HA ASN 7 HA ASN 7 4.737 8.546 -6.289
54 1HB ASN 7 1HB ASN 7 4.658 9.472 -3.392
55 2HB ASN 7 2HB ASN 7 6.119 8.931 -4.198
56 1HD2 ASN 7 2HD2 ASN 7 6.439 11.378 -3.336
57 2HD2 ASN 7 1HD2 ASN 7 6.229 12.557 -4.538
58 H CYS 8 H CYS 8 6.200 7.005 -4.939
59 HA CYS 8 HA CYS 8 4.566 4.597 -4.290
60 1HB CYS 8 1HB CYS 8 7.464 4.216 -4.500
61 2HB CYS 8 2HB CYS 8 6.169 3.379 -5.296
62 H ASP 9 H ASP 9 4.508 3.831 -2.300
63 HA ASP 9 HA ASP 9 5.981 5.212 -0.153
64 1HB ASP 9 1HB ASP 9 3.579 4.794 0.126
65 2HB ASP 9 2HB ASP 9 3.822 3.087 -0.123
66 HA PRO 10 HA PRO 10 9.321 2.468 -0.392
67 1HB PRO 10 1HB PRO 10 10.030 2.390 2.390
68 2HB PRO 10 2HB PRO 10 10.692 3.430 1.141
69 1HG PRO 10 1HG PRO 10 8.745 4.084 3.239
70 2HG PRO 10 2HG PRO 10 9.702 5.168 2.242
71 1HD PRO 10 1HD PRO 10 6.938 4.729 1.975
72 2HD PRO 10 2HD PRO 10 7.975 5.470 0.743
73 H ARG 11 H ARG 11 6.982 1.769 2.025
74 HA ARG 11 HA ARG 11 7.744 -1.057 2.306
75 1HB ARG 11 1HB ARG 11 5.421 0.567 3.429
76 2HB ARG 11 2HB ARG 11 5.591 -1.150 3.698
77 1HG ARG 11 1HG ARG 11 6.503 0.061 5.615
78 2HG ARG 11 2HG ARG 11 7.780 -0.802 4.797
79 1HD ARG 11 1HD ARG 11 8.462 1.518 5.469
80 2HD ARG 11 2HD ARG 11 8.581 1.287 3.742
81 HE ARG 11 HE ARG 11 6.817 2.832 3.450
82 1HH1 ARG 11 1HH1 ARG 11 7.036 1.817 6.760
83 2HH1 ARG 11 2HH1 ARG 11 5.902 3.003 7.309
84 1HH2 ARG 11 1HH2 ARG 11 5.400 4.329 4.125
85 2HH2 ARG 11 2HH2 ARG 11 4.951 4.447 5.794
86 H ILE 12 H ILE 12 5.399 0.855 0.548
87 HA ILE 12 HA ILE 12 3.790 -1.426 -0.267
88 HB ILE 12 HB ILE 12 3.992 1.405 -1.392
89 1HG1 ILE 12 1HG1 ILE 12 3.193 1.253 0.997
90 2HG1 ILE 12 2HG1 ILE 12 1.995 1.922 -0.092
91 1HG2 ILE 12 1HG2 ILE 12 1.889 -0.717 -1.987
92 2HG2 ILE 12 2HG2 ILE 12 1.794 0.970 -2.460
93 3HG2 ILE 12 3HG2 ILE 12 3.051 -0.056 -3.119
94 1HD1 ILE 12 1HD1 ILE 12 2.057 -0.953 0.849
95 2HD1 ILE 12 2HD1 ILE 12 1.009 0.305 1.495
96 3HD1 ILE 12 3HD1 ILE 12 0.823 -0.221 -0.163
97 H ALA 13 H ALA 13 3.834 -2.568 -1.982
98 HA ALA 13 HA ALA 13 6.077 -2.277 -3.952
99 1HB ALA 13 1HB ALA 13 6.272 -4.250 -2.462
100 2HB ALA 13 2HB ALA 13 4.698 -4.823 -2.981
101 3HB ALA 13 3HB ALA 13 6.009 -4.755 -4.124
102 H TYR 14 H TYR 14 3.000 -3.870 -3.490
103 HA TYR 14 HA TYR 14 1.751 -2.598 -5.778
104 1HB TYR 14 1HB TYR 14 1.348 -4.920 -6.935
105 2HB TYR 14 2HB TYR 14 2.989 -4.305 -7.020
106 HD1 TYR 14 HD1 TYR 14 0.810 -6.716 -5.203
107 HD2 TYR 14 HD2 TYR 14 4.792 -5.408 -5.947
108 HE1 TYR 14 HE1 TYR 14 1.683 -8.700 -4.065
109 HE2 TYR 14 HE2 TYR 14 5.656 -7.386 -4.811
110 HH TYR 14 HH TYR 14 4.701 -8.996 -2.941
111 H GLY 15 H GLY 15 -0.413 -4.070 -6.192
112 1HA GLY 15 1HA GLY 15 -1.483 -5.209 -3.764
113 2HA GLY 15 2HA GLY 15 -2.075 -3.573 -4.013
114 H VAL 16 H VAL 16 -3.576 -5.886 -3.846
115 HA VAL 16 HA VAL 16 -4.663 -6.252 -6.610
116 HB VAL 16 HB VAL 16 -5.306 -7.974 -4.162
117 1HG1 VAL 16 1HG1 VAL 16 -5.569 -8.408 -7.175
118 2HG1 VAL 16 2HG1 VAL 16 -6.034 -9.574 -5.944
119 3HG1 VAL 16 3HG1 VAL 16 -6.912 -8.064 -6.101
120 1HG2 VAL 16 1HG2 VAL 16 -2.857 -8.088 -4.730
121 2HG2 VAL 16 2HG2 VAL 16 -3.679 -9.591 -5.098
122 3HG2 VAL 16 3HG2 VAL 16 -3.278 -8.466 -6.385
123 H CYS 17 H CYS 17 -6.267 -5.004 -7.068
124 HA CYS 17 HA CYS 17 -8.213 -4.178 -4.967
125 1HB CYS 17 1HB CYS 17 -7.569 -2.919 -7.628
126 2HB CYS 17 2HB CYS 17 -8.788 -2.339 -6.529
127 HA PRO 18 HA PRO 18 -11.239 -6.572 -7.275
128 1HB PRO 18 1HB PRO 18 -13.507 -5.304 -6.167
129 2HB PRO 18 2HB PRO 18 -12.713 -6.737 -5.536
130 1HG PRO 18 1HG PRO 18 -12.646 -3.987 -4.497
131 2HG PRO 18 2HG PRO 18 -12.210 -5.485 -3.691
132 1HD PRO 18 1HD PRO 18 -10.400 -3.524 -4.715
133 2HD PRO 18 2HD PRO 18 -9.979 -5.133 -4.101
134 H ARG 19 H ARG 19 -12.727 -6.185 -8.961
135 HA ARG 19 HA ARG 19 -13.439 -5.132 -10.897
136 1HB ARG 19 1HB ARG 19 -13.472 -2.534 -9.281
137 2HB ARG 19 2HB ARG 19 -14.515 -2.970 -10.611
138 1HG ARG 19 1HG ARG 19 -15.963 -4.171 -9.317
139 2HG ARG 19 2HG ARG 19 -14.722 -4.857 -8.293
140 1HD ARG 19 1HD ARG 19 -15.673 -1.974 -8.147
141 2HD ARG 19 2HD ARG 19 -16.172 -3.264 -7.043
142 HE ARG 19 HE ARG 19 -13.457 -3.394 -6.860
143 1HH1 ARG 19 1HH1 ARG 19 -15.682 -0.739 -6.657
144 2HH1 ARG 19 2HH1 ARG 19 -14.663 0.168 -5.590
145 1HH2 ARG 19 1HH2 ARG 19 -12.167 -2.268 -5.520
146 2HH2 ARG 19 2HH2 ARG 19 -12.645 -0.710 -4.932
147 H SER 20 H SER 20 -10.664 -5.211 -10.214
148 HA SER 20 HA SER 20 -9.660 -3.336 -12.281
149 1HB SER 20 1HB SER 20 -9.402 -2.128 -10.071
150 2HB SER 20 2HB SER 20 -8.411 -3.474 -9.485
151 HG SER 20 HG SER 20 -7.914 -2.004 -11.858
152 H GLU 21 H GLU 21 -9.981 -5.769 -12.784
153 HA GLU 21 HA GLU 21 -9.174 -7.869 -13.297
154 1HB GLU 21 1HB GLU 21 -7.387 -7.646 -14.992
155 2HB GLU 21 2HB GLU 21 -8.605 -6.408 -15.130
156 1HG GLU 21 1HG GLU 21 -6.459 -5.360 -15.477
157 2HG GLU 21 2HG GLU 21 -7.065 -4.783 -13.947
158 H GLU 22 H GLU 22 -7.804 -6.963 -10.619
159 HA GLU 22 HA GLU 22 -6.337 -7.889 -9.105
160 1HB GLU 22 1HB GLU 22 -7.453 -10.004 -9.622
161 2HB GLU 22 2HB GLU 22 -6.490 -10.245 -11.062
162 1HG GLU 22 1HG GLU 22 -4.433 -10.475 -9.694
163 2HG GLU 22 2HG GLU 22 -5.360 -10.183 -8.236
164 H LYS 23 H LYS 23 -4.200 -7.622 -8.651
165 HA LYS 23 HA LYS 23 -2.175 -8.100 -10.680
166 1HB LYS 23 1HB LYS 23 -2.899 -5.850 -11.291
167 2HB LYS 23 2HB LYS 23 -2.762 -5.296 -9.634
168 1HG LYS 23 1HG LYS 23 -0.287 -5.678 -9.703
169 2HG LYS 23 2HG LYS 23 -0.419 -6.260 -11.349
170 1HD LYS 23 1HD LYS 23 -1.220 -3.465 -10.434
171 2HD LYS 23 2HD LYS 23 0.323 -3.859 -11.162
172 1HE LYS 23 1HE LYS 23 -0.865 -4.643 -13.227
173 2HE LYS 23 2HE LYS 23 -2.399 -4.170 -12.507
174 1HZ LYS 23 1HZ LYS 23 -1.578 -1.913 -12.328
175 2HZ LYS 23 2HZ LYS 23 -0.119 -2.373 -13.065
176 3HZ LYS 23 3HZ LYS 23 -1.575 -2.459 -13.938
177 H LYS 24 H LYS 24 -0.578 -9.024 -9.761
178 HA LYS 24 HA LYS 24 0.712 -8.055 -7.334
179 1HB LYS 24 1HB LYS 24 0.470 -10.743 -6.551
180 2HB LYS 24 2HB LYS 24 -0.529 -9.457 -5.932
181 1HG LYS 24 1HG LYS 24 -2.298 -9.944 -7.575
182 2HG LYS 24 2HG LYS 24 -1.282 -11.151 -8.340
183 1HD LYS 24 1HD LYS 24 -1.295 -12.518 -6.300
184 2HD LYS 24 2HD LYS 24 -2.185 -11.280 -5.430
185 1HE LYS 24 1HE LYS 24 -4.091 -11.540 -6.980
186 2HE LYS 24 2HE LYS 24 -3.209 -12.758 -7.897
187 1HZ LYS 24 1HZ LYS 24 -3.905 -12.978 -5.028
188 2HZ LYS 24 2HZ LYS 24 -4.788 -13.681 -6.298
189 3HZ LYS 24 3HZ LYS 24 -3.191 -14.177 -5.997
190 H ASN 25 H ASN 25 1.632 -7.920 -9.669
191 HA ASN 25 HA ASN 25 3.987 -9.579 -9.745
192 1HB ASN 25 1HB ASN 25 1.632 -10.298 -11.429
193 2HB ASN 25 2HB ASN 25 3.087 -10.101 -12.383
194 1HD2 ASN 25 2HD2 ASN 25 5.097 -11.270 -11.367
195 2HD2 ASN 25 1HD2 ASN 25 4.806 -12.819 -10.735
196 H ASP 26 H ASP 26 3.046 -6.809 -9.675
197 HA ASP 26 HA ASP 26 4.948 -5.673 -11.579
198 1HB ASP 26 1HB ASP 26 2.139 -5.771 -12.262
199 2HB ASP 26 2HB ASP 26 2.464 -4.112 -11.802
200 H ARG 27 H ARG 27 6.076 -4.501 -10.237
201 HA ARG 27 HA ARG 27 5.068 -3.503 -7.706
202 1HB ARG 27 1HB ARG 27 7.380 -4.231 -7.793
203 2HB ARG 27 2HB ARG 27 7.720 -3.244 -9.197
204 1HG ARG 27 1HG ARG 27 7.515 -1.161 -7.817
205 2HG ARG 27 2HG ARG 27 7.053 -2.127 -6.433
206 1HD ARG 27 1HD ARG 27 9.721 -2.300 -7.889
207 2HD ARG 27 2HD ARG 27 9.447 -1.431 -6.384
208 HE ARG 27 HE ARG 27 8.594 -4.084 -5.951
209 1HH1 ARG 27 1HH1 ARG 27 11.473 -2.324 -6.741
210 2HH1 ARG 27 2HH1 ARG 27 12.525 -3.459 -5.965
211 1HH2 ARG 27 1HH2 ARG 27 9.933 -5.546 -4.951
212 2HH2 ARG 27 2HH2 ARG 27 11.646 -5.301 -4.943
213 H ILE 28 H ILE 28 3.325 -2.201 -8.538
214 HA ILE 28 HA ILE 28 3.741 0.041 -10.242
215 HB ILE 28 HB ILE 28 1.472 0.170 -8.309
216 1HG1 ILE 28 1HG1 ILE 28 0.219 -1.499 -10.059
217 2HG1 ILE 28 2HG1 ILE 28 1.827 -2.163 -10.225
218 1HG2 ILE 28 1HG2 ILE 28 1.682 0.376 -11.306
219 2HG2 ILE 28 2HG2 ILE 28 0.236 0.719 -10.362
220 3HG2 ILE 28 3HG2 ILE 28 1.662 1.723 -10.174
221 1HD1 ILE 28 1HD1 ILE 28 1.894 -2.574 -7.776
222 2HD1 ILE 28 2HD1 ILE 28 0.287 -1.907 -7.615
223 3HD1 ILE 28 3HD1 ILE 28 0.538 -3.391 -8.517
224 H CYS 29 H CYS 29 3.061 2.275 -9.308
225 HA CYS 29 HA CYS 29 4.626 2.804 -6.809
226 1HB CYS 29 1HB CYS 29 5.641 3.738 -8.832
227 2HB CYS 29 2HB CYS 29 4.154 4.551 -9.240
228 H THR 30 H THR 30 3.177 2.917 -5.253
229 HA THR 30 HA THR 30 1.210 5.082 -5.258
230 HB THR 30 HB THR 30 -0.114 3.304 -6.388
231 HG1 THR 30 HG1 THR 30 -1.705 3.095 -4.723
232 1HG2 THR 30 1HG2 THR 30 1.173 1.290 -5.467
233 2HG2 THR 30 2HG2 THR 30 0.428 1.594 -3.904
234 3HG2 THR 30 3HG2 THR 30 -0.564 1.150 -5.280
235 H ASN 31 H ASN 31 0.019 5.121 -3.186
236 HA ASN 31 HA ASN 31 1.669 4.189 -0.870
237 1HB ASN 31 1HB ASN 31 0.220 6.866 -1.147
238 2HB ASN 31 2HB ASN 31 1.211 6.379 0.217
239 1HD2 ASN 31 2HD2 ASN 31 1.606 8.704 -1.532
240 2HD2 ASN 31 1HD2 ASN 31 3.154 8.516 -2.204
241 H CYS 32 H CYS 32 0.411 4.266 1.195
242 HA CYS 32 HA CYS 32 -1.941 2.651 1.014
243 1HB CYS 32 1HB CYS 32 -0.472 2.800 3.041
244 2HB CYS 32 2HB CYS 32 -1.057 4.416 3.332
245 H CYS 33 H CYS 33 -1.404 6.062 1.447
246 HA CYS 33 HA CYS 33 -4.090 6.909 1.889
247 1HB CYS 33 1HB CYS 33 -2.014 8.251 2.291
248 2HB CYS 33 2HB CYS 33 -1.804 8.408 0.573
249 H ALA 34 H ALA 34 -2.077 6.795 -1.005
250 HA ALA 34 HA ALA 34 -4.051 7.623 -2.891
251 1HB ALA 34 1HB ALA 34 -1.617 7.589 -3.379
252 2HB ALA 34 2HB ALA 34 -1.621 5.836 -3.288
253 3HB ALA 34 3HB ALA 34 -2.490 6.649 -4.580
254 H GLY 35 H GLY 35 -3.742 4.776 -1.135
255 1HA GLY 35 1HA GLY 35 -4.575 2.678 -2.656
256 2HA GLY 35 2HA GLY 35 -5.015 2.904 -0.970
257 H THR 36 H THR 36 -6.652 1.641 -2.970
258 HA THR 36 HA THR 36 -8.907 3.552 -3.153
259 HB THR 36 HB THR 36 -8.711 1.119 -4.874
260 HG1 THR 36 HG1 THR 36 -7.303 3.570 -4.999
261 1HG2 THR 36 1HG2 THR 36 -9.616 3.995 -5.475
262 2HG2 THR 36 2HG2 THR 36 -9.753 2.634 -6.572
263 3HG2 THR 36 3HG2 THR 36 -10.746 2.699 -5.139
264 H LYS 37 H LYS 37 -10.997 1.907 -3.645
265 HA LYS 37 HA LYS 37 -11.560 0.728 -1.059
266 1HB LYS 37 1HB LYS 37 -13.548 -0.079 -3.033
267 2HB LYS 37 2HB LYS 37 -13.719 1.014 -1.684
268 1HG LYS 37 1HG LYS 37 -12.756 2.851 -3.168
269 2HG LYS 37 2HG LYS 37 -12.812 1.711 -4.495
270 1HD LYS 37 1HD LYS 37 -15.258 1.438 -4.191
271 2HD LYS 37 2HD LYS 37 -15.222 2.550 -2.834
272 1HE LYS 37 1HE LYS 37 -14.426 3.260 -5.692
273 2HE LYS 37 2HE LYS 37 -15.939 3.705 -4.916
274 1HZ LYS 37 1HZ LYS 37 -14.607 4.866 -3.210
275 2HZ LYS 37 2HZ LYS 37 -13.218 4.559 -4.135
276 3HZ LYS 37 3HZ LYS 37 -14.462 5.526 -4.768
277 H GLY 38 H GLY 38 -11.836 -1.277 -0.455
278 1HA GLY 38 1HA GLY 38 -11.540 -3.560 -0.307
279 2HA GLY 38 2HA GLY 38 -12.007 -3.629 -1.992
280 H CYS 39 H CYS 39 -9.262 -1.755 -1.925
281 HA CYS 39 HA CYS 39 -7.663 -3.807 -3.100
282 1HB CYS 39 1HB CYS 39 -6.837 -1.134 -2.013
283 2HB CYS 39 2HB CYS 39 -5.907 -2.130 -3.085
284 H LYS 40 H LYS 40 -5.545 -4.367 -2.457
285 HA LYS 40 HA LYS 40 -4.929 -4.467 0.431
286 1HB LYS 40 1HB LYS 40 -6.072 -6.656 -1.029
287 2HB LYS 40 2HB LYS 40 -4.371 -7.032 -0.964
288 1HG LYS 40 1HG LYS 40 -5.352 -8.014 0.978
289 2HG LYS 40 2HG LYS 40 -4.451 -6.618 1.538
290 1HD LYS 40 1HD LYS 40 -6.575 -5.268 1.533
291 2HD LYS 40 2HD LYS 40 -7.459 -6.687 1.001
292 1HE LYS 40 1HE LYS 40 -6.721 -7.877 3.052
293 2HE LYS 40 2HE LYS 40 -5.886 -6.413 3.575
294 1HZ LYS 40 1HZ LYS 40 -8.219 -5.362 3.196
295 2HZ LYS 40 2HZ LYS 40 -8.755 -6.958 3.414
296 3HZ LYS 40 3HZ LYS 40 -7.866 -6.186 4.637
297 H TYR 41 H TYR 41 -3.179 -3.076 0.129
298 HA TYR 41 HA TYR 41 -1.275 -3.651 -2.017
299 1HB TYR 41 1HB TYR 41 -1.587 -1.343 -0.071
300 2HB TYR 41 2HB TYR 41 -0.304 -1.492 -1.247
301 HD1 TYR 41 HD1 TYR 41 -0.839 -1.460 -3.710
302 HD2 TYR 41 HD2 TYR 41 -3.797 -0.658 -0.758
303 HE1 TYR 41 HE1 TYR 41 -2.275 -0.458 -5.421
304 HE2 TYR 41 HE2 TYR 41 -5.228 0.347 -2.476
305 HH TYR 41 HH TYR 41 -5.392 1.018 -4.572
306 H PHE 42 H PHE 42 0.371 -4.922 -1.602
307 HA PHE 42 HA PHE 42 1.518 -5.085 1.124
308 1HB PHE 42 1HB PHE 42 2.328 -7.318 -0.527
309 2HB PHE 42 2HB PHE 42 1.403 -7.281 0.944
310 HD1 PHE 42 HD1 PHE 42 0.959 -6.747 -2.706
311 HD2 PHE 42 HD2 PHE 42 -0.719 -7.975 0.987
312 HE1 PHE 42 HE1 PHE 42 -1.074 -7.495 -3.883
313 HE2 PHE 42 HE2 PHE 42 -2.771 -8.728 -0.165
314 HZ PHE 42 HZ PHE 42 -2.948 -8.486 -2.589
315 H SER 43 H SER 43 3.671 -5.831 1.186
316 HA SER 43 HA SER 43 5.472 -4.187 -0.369
317 1HB SER 43 1HB SER 43 6.015 -6.388 1.648
318 2HB SER 43 2HB SER 43 7.089 -5.096 1.171
319 HG SER 43 HG SER 43 6.123 -3.778 2.449
320 H ASP 44 H ASP 44 7.502 -5.454 -0.988
321 HA ASP 44 HA ASP 44 6.681 -7.587 -2.903
322 1HB ASP 44 1HB ASP 44 8.331 -5.345 -3.205
323 2HB ASP 44 2HB ASP 44 9.502 -6.632 -3.023
324 H ASP 45 H ASP 45 7.503 -7.577 0.103
325 HA ASP 45 HA ASP 45 8.393 -10.287 0.274
326 1HB ASP 45 1HB ASP 45 10.593 -9.270 -0.421
327 2HB ASP 45 2HB ASP 45 10.496 -8.159 0.932
328 H GLY 46 H GLY 46 7.976 -7.147 1.743
329 1HA GLY 46 1HA GLY 46 7.867 -8.106 4.469
330 2HA GLY 46 2HA GLY 46 7.612 -6.457 3.881
331 H THR 47 H THR 47 5.920 -8.734 2.184
332 HA THR 47 HA THR 47 3.699 -9.025 1.720
333 HB THR 47 HB THR 47 4.388 -10.676 3.536
334 HG1 THR 47 HG1 THR 47 2.067 -10.076 2.498
335 1HG2 THR 47 1HG2 THR 47 2.614 -8.908 5.329
336 2HG2 THR 47 2HG2 THR 47 3.242 -10.494 5.740
337 3HG2 THR 47 3HG2 THR 47 4.337 -9.145 5.579
338 H PHE 48 H PHE 48 1.385 -8.790 3.094
339 HA PHE 48 HA PHE 48 0.175 -6.521 2.480
340 1HB PHE 48 1HB PHE 48 -1.083 -8.283 3.456
341 2HB PHE 48 2HB PHE 48 -0.218 -8.175 4.982
342 HD1 PHE 48 HD1 PHE 48 -2.648 -6.352 2.781
343 HD2 PHE 48 HD2 PHE 48 -0.844 -6.613 6.631
344 HE1 PHE 48 HE1 PHE 48 -4.249 -4.705 3.659
345 HE2 PHE 48 HE2 PHE 48 -2.436 -4.966 7.500
346 HZ PHE 48 HZ PHE 48 -4.125 -4.005 6.024
347 H VAL 49 H VAL 49 0.561 -4.529 2.621
348 HA VAL 49 HA VAL 49 1.691 -3.293 5.096
349 HB VAL 49 HB VAL 49 1.397 -2.143 2.315
350 1HG1 VAL 49 1HG1 VAL 49 2.969 -1.105 4.728
351 2HG1 VAL 49 2HG1 VAL 49 2.998 -0.386 3.130
352 3HG1 VAL 49 3HG1 VAL 49 1.520 -0.363 4.069
353 1HG2 VAL 49 1HG2 VAL 49 3.840 -3.277 3.704
354 2HG2 VAL 49 2HG2 VAL 49 2.995 -4.001 2.344
355 3HG2 VAL 49 3HG2 VAL 49 3.833 -2.478 2.138
356 H CYS 50 H CYS 50 -0.985 -2.828 2.743
357 HA CYS 50 HA CYS 50 -2.646 -1.635 4.852
358 1HB CYS 50 1HB CYS 50 -1.240 -0.153 2.840
359 2HB CYS 50 2HB CYS 50 -2.942 0.203 2.807
360 H GLU 51 H GLU 51 -4.877 -1.115 3.943
361 HA GLU 51 HA GLU 51 -5.576 -3.010 1.750
362 1HB GLU 51 1HB GLU 51 -7.939 -2.644 3.307
363 2HB GLU 51 2HB GLU 51 -6.856 -4.007 3.289
364 1HG GLU 51 1HG GLU 51 -5.504 -2.962 5.122
365 2HG GLU 51 2HG GLU 51 -6.736 -1.726 5.245
366 H GLY 52 H GLY 52 -4.838 -0.767 0.874
367 1HA GLY 52 1HA GLY 52 -5.401 1.048 -0.447
368 2HA GLY 52 2HA GLY 52 -6.991 0.323 -0.581
369 H GLU 53 H GLU 53 -7.869 2.515 -0.599
370 HA GLU 53 HA GLU 53 -8.540 3.405 2.089
371 1HB GLU 53 1HB GLU 53 -6.316 4.464 1.761
372 2HB GLU 53 2HB GLU 53 -6.901 5.264 0.315
373 1HG GLU 53 1HG GLU 53 -8.502 6.585 1.615
374 2HG GLU 53 2HG GLU 53 -8.178 5.650 3.066
375 H SER 54 H SER 54 -9.184 3.735 -1.399
376 HA SER 54 HA SER 54 -11.145 5.862 -0.936
377 1HB SER 54 1HB SER 54 -10.878 4.019 -3.360
378 2HB SER 54 2HB SER 54 -11.791 5.526 -3.285
379 HG SER 54 HG SER 54 -9.305 5.357 -3.851
Start of MODEL 11
1 1H MET 1 1H MET 1 -4.454 7.523 2.155
2 2H MET 1 2H MET 1 -3.441 8.828 2.549
3 3H MET 1 3H MET 1 -4.468 8.162 3.725
4 HA MET 1 HA MET 1 -6.195 9.346 3.106
5 1HB MET 1 1HB MET 1 -3.814 10.781 2.436
6 2HB MET 1 2HB MET 1 -4.902 11.083 1.101
7 1HG MET 1 1HG MET 1 -6.672 11.720 2.757
8 2HG MET 1 2HG MET 1 -5.512 11.494 4.037
9 1HE MET 1 1HE MET 1 -5.902 13.335 0.610
10 2HE MET 1 2HE MET 1 -7.189 13.898 1.705
11 3HE MET 1 3HE MET 1 -5.921 14.993 1.179
12 H LYS 2 H LYS 2 -7.319 10.486 1.107
13 HA LYS 2 HA LYS 2 -7.998 8.302 -0.696
14 1HB LYS 2 1HB LYS 2 -9.056 11.146 -0.521
15 2HB LYS 2 2HB LYS 2 -9.697 9.885 -1.558
16 1HG LYS 2 1HG LYS 2 -10.160 8.474 0.461
17 2HG LYS 2 2HG LYS 2 -9.500 9.726 1.486
18 1HD LYS 2 1HD LYS 2 -11.882 9.953 1.598
19 2HD LYS 2 2HD LYS 2 -11.307 11.292 0.632
20 1HE LYS 2 1HE LYS 2 -12.397 8.709 -0.572
21 2HE LYS 2 2HE LYS 2 -13.375 10.138 -0.293
22 1HZ LYS 2 1HZ LYS 2 -11.274 11.129 -1.646
23 2HZ LYS 2 2HZ LYS 2 -11.468 9.599 -2.359
24 3HZ LYS 2 3HZ LYS 2 -12.766 10.694 -2.326
25 H ALA 3 H ALA 3 -6.602 7.879 -2.172
26 HA ALA 3 HA ALA 3 -5.221 7.995 -4.013
27 1HB ALA 3 1HB ALA 3 -7.289 10.089 -4.777
28 2HB ALA 3 2HB ALA 3 -6.188 9.306 -5.900
29 3HB ALA 3 3HB ALA 3 -7.398 8.360 -5.053
30 H CYS 4 H CYS 4 -3.382 8.733 -3.009
31 HA CYS 4 HA CYS 4 -2.659 11.515 -2.733
32 1HB CYS 4 1HB CYS 4 -1.374 8.850 -2.395
33 2HB CYS 4 2HB CYS 4 -0.280 10.181 -2.571
34 H THR 5 H THR 5 -0.112 11.670 -3.663
35 HA THR 5 HA THR 5 -0.384 12.609 -6.306
36 HB THR 5 HB THR 5 2.171 12.002 -4.702
37 HG1 THR 5 HG1 THR 5 0.643 13.178 -3.542
38 1HG2 THR 5 1HG2 THR 5 1.449 14.249 -6.654
39 2HG2 THR 5 2HG2 THR 5 3.003 14.010 -5.860
40 3HG2 THR 5 3HG2 THR 5 2.477 12.897 -7.112
41 H LEU 6 H LEU 6 -0.486 9.500 -5.560
42 HA LEU 6 HA LEU 6 -0.257 7.528 -6.712
43 1HB LEU 6 1HB LEU 6 0.630 9.218 -9.101
44 2HB LEU 6 2HB LEU 6 -0.003 7.591 -9.136
45 HG LEU 6 HG LEU 6 -1.588 10.038 -8.223
46 1HD1 LEU 6 1HD1 LEU 6 -1.777 8.377 -10.769
47 2HD1 LEU 6 2HD1 LEU 6 -2.852 9.693 -10.327
48 3HD1 LEU 6 3HD1 LEU 6 -1.161 10.019 -10.660
49 1HD2 LEU 6 1HD2 LEU 6 -2.487 7.147 -8.634
50 2HD2 LEU 6 2HD2 LEU 6 -2.343 7.948 -7.077
51 3HD2 LEU 6 3HD2 LEU 6 -3.537 8.496 -8.233
52 H ASN 7 H ASN 7 2.237 9.284 -5.726
53 HA ASN 7 HA ASN 7 4.454 8.255 -7.038
54 1HB ASN 7 1HB ASN 7 4.186 9.264 -4.169
55 2HB ASN 7 2HB ASN 7 5.708 9.078 -5.024
56 1HD2 ASN 7 2HD2 ASN 7 4.964 11.586 -4.034
57 2HD2 ASN 7 1HD2 ASN 7 4.610 12.626 -5.328
58 H CYS 8 H CYS 8 6.136 7.016 -5.574
59 HA CYS 8 HA CYS 8 4.852 4.450 -4.761
60 1HB CYS 8 1HB CYS 8 7.760 4.461 -5.123
61 2HB CYS 8 2HB CYS 8 6.551 3.366 -5.721
62 H ASP 9 H ASP 9 4.967 3.691 -2.773
63 HA ASP 9 HA ASP 9 6.505 5.205 -0.746
64 1HB ASP 9 1HB ASP 9 4.110 4.816 -0.311
65 2HB ASP 9 2HB ASP 9 4.324 3.102 -0.549
66 HA PRO 10 HA PRO 10 9.716 2.341 -1.433
67 1HB PRO 10 1HB PRO 10 10.922 2.427 1.163
68 2HB PRO 10 2HB PRO 10 11.342 3.396 -0.241
69 1HG PRO 10 1HG PRO 10 9.797 4.164 2.143
70 2HG PRO 10 2HG PRO 10 10.580 5.196 0.955
71 1HD PRO 10 1HD PRO 10 7.802 4.789 1.176
72 2HD PRO 10 2HD PRO 10 8.623 5.458 -0.246
73 H ARG 11 H ARG 11 7.831 1.923 1.411
74 HA ARG 11 HA ARG 11 8.542 -0.847 1.902
75 1HB ARG 11 1HB ARG 11 7.990 0.367 3.791
76 2HB ARG 11 2HB ARG 11 6.711 1.249 3.035
77 1HG ARG 11 1HG ARG 11 5.593 -1.271 3.015
78 2HG ARG 11 2HG ARG 11 6.700 -1.442 4.365
79 1HD ARG 11 1HD ARG 11 4.499 -0.581 5.100
80 2HD ARG 11 2HD ARG 11 5.732 0.648 5.373
81 HE ARG 11 HE ARG 11 4.562 0.924 2.749
82 1HH1 ARG 11 1HH1 ARG 11 3.962 1.502 6.109
83 2HH1 ARG 11 2HH1 ARG 11 2.882 2.820 5.802
84 1HH2 ARG 11 1HH2 ARG 11 3.210 2.578 2.333
85 2HH2 ARG 11 2HH2 ARG 11 2.445 3.440 3.626
86 H ILE 12 H ILE 12 5.976 0.893 0.222
87 HA ILE 12 HA ILE 12 4.306 -1.448 -0.215
88 HB ILE 12 HB ILE 12 4.358 1.268 -1.595
89 1HG1 ILE 12 1HG1 ILE 12 3.770 1.321 0.861
90 2HG1 ILE 12 2HG1 ILE 12 2.511 1.940 -0.183
91 1HG2 ILE 12 1HG2 ILE 12 2.236 -0.903 -1.825
92 2HG2 ILE 12 2HG2 ILE 12 2.053 0.742 -2.410
93 3HG2 ILE 12 3HG2 ILE 12 3.268 -0.304 -3.110
94 1HD1 ILE 12 1HD1 ILE 12 2.592 -0.830 1.033
95 2HD1 ILE 12 2HD1 ILE 12 1.597 0.519 1.570
96 3HD1 ILE 12 3HD1 ILE 12 1.309 -0.208 0.002
97 H ALA 13 H ALA 13 3.982 -2.575 -2.076
98 HA ALA 13 HA ALA 13 6.112 -2.442 -4.179
99 1HB ALA 13 1HB ALA 13 4.685 -4.909 -3.086
100 2HB ALA 13 2HB ALA 13 5.874 -4.912 -4.373
101 3HB ALA 13 3HB ALA 13 6.343 -4.429 -2.759
102 H TYR 14 H TYR 14 2.955 -3.846 -3.468
103 HA TYR 14 HA TYR 14 1.658 -2.408 -5.649
104 1HB TYR 14 1HB TYR 14 1.193 -4.345 -7.126
105 2HB TYR 14 2HB TYR 14 2.924 -4.184 -6.932
106 HD1 TYR 14 HD1 TYR 14 4.133 -5.734 -5.363
107 HD2 TYR 14 HD2 TYR 14 0.049 -6.297 -6.412
108 HE1 TYR 14 HE1 TYR 14 4.260 -8.041 -4.600
109 HE2 TYR 14 HE2 TYR 14 0.167 -8.605 -5.653
110 HH TYR 14 HH TYR 14 1.965 -10.359 -5.348
111 H GLY 15 H GLY 15 -0.486 -3.953 -6.148
112 1HA GLY 15 1HA GLY 15 -1.565 -5.038 -3.670
113 2HA GLY 15 2HA GLY 15 -2.287 -3.502 -4.135
114 H VAL 16 H VAL 16 -3.903 -5.505 -3.877
115 HA VAL 16 HA VAL 16 -4.682 -6.230 -6.687
116 HB VAL 16 HB VAL 16 -4.708 -7.996 -4.188
117 1HG1 VAL 16 1HG1 VAL 16 -6.091 -8.559 -6.844
118 2HG1 VAL 16 2HG1 VAL 16 -5.927 -9.699 -5.518
119 3HG1 VAL 16 3HG1 VAL 16 -6.907 -8.261 -5.318
120 1HG2 VAL 16 1HG2 VAL 16 -2.611 -8.004 -5.539
121 2HG2 VAL 16 2HG2 VAL 16 -3.425 -9.554 -5.632
122 3HG2 VAL 16 3HG2 VAL 16 -3.533 -8.426 -6.969
123 H CYS 17 H CYS 17 -6.647 -5.554 -7.171
124 HA CYS 17 HA CYS 17 -8.401 -4.536 -4.991
125 1HB CYS 17 1HB CYS 17 -8.250 -3.902 -7.920
126 2HB CYS 17 2HB CYS 17 -9.404 -3.170 -6.843
127 HA PRO 18 HA PRO 18 -11.777 -7.335 -5.867
128 1HB PRO 18 1HB PRO 18 -13.707 -5.134 -6.181
129 2HB PRO 18 2HB PRO 18 -13.628 -6.380 -4.947
130 1HG PRO 18 1HG PRO 18 -12.961 -3.680 -4.578
131 2HG PRO 18 2HG PRO 18 -12.527 -4.992 -3.494
132 1HD PRO 18 1HD PRO 18 -10.802 -3.485 -5.340
133 2HD PRO 18 2HD PRO 18 -10.336 -4.547 -4.002
134 H ARG 19 H ARG 19 -11.938 -8.306 -7.722
135 HA ARG 19 HA ARG 19 -11.920 -8.754 -10.000
136 1HB ARG 19 1HB ARG 19 -14.196 -6.884 -9.415
137 2HB ARG 19 2HB ARG 19 -13.848 -7.144 -11.115
138 1HG ARG 19 1HG ARG 19 -13.849 -9.636 -10.681
139 2HG ARG 19 2HG ARG 19 -14.394 -9.299 -9.046
140 1HD ARG 19 1HD ARG 19 -15.791 -8.385 -11.562
141 2HD ARG 19 2HD ARG 19 -16.252 -9.803 -10.606
142 HE ARG 19 HE ARG 19 -16.168 -7.592 -8.841
143 1HH1 ARG 19 1HH1 ARG 19 -17.943 -8.663 -11.617
144 2HH1 ARG 19 2HH1 ARG 19 -19.387 -7.825 -11.160
145 1HH2 ARG 19 1HH2 ARG 19 -17.985 -6.520 -8.242
146 2HH2 ARG 19 2HH2 ARG 19 -19.413 -6.592 -9.221
147 H SER 20 H SER 20 -9.925 -7.533 -9.507
148 HA SER 20 HA SER 20 -8.870 -6.322 -11.840
149 1HB SER 20 1HB SER 20 -9.503 -4.413 -9.513
150 2HB SER 20 2HB SER 20 -8.209 -4.050 -10.666
151 HG SER 20 HG SER 20 -9.790 -4.328 -12.323
152 H GLU 21 H GLU 21 -7.069 -7.516 -11.665
153 HA GLU 21 HA GLU 21 -5.989 -8.362 -9.166
154 1HB GLU 21 1HB GLU 21 -4.761 -8.472 -11.945
155 2HB GLU 21 2HB GLU 21 -4.165 -9.334 -10.537
156 1HG GLU 21 1HG GLU 21 -6.317 -10.560 -10.342
157 2HG GLU 21 2HG GLU 21 -6.930 -9.718 -11.757
158 H GLU 22 H GLU 22 -5.390 -5.695 -11.264
159 HA GLU 22 HA GLU 22 -3.900 -3.914 -11.224
160 1HB GLU 22 1HB GLU 22 -5.270 -3.437 -9.262
161 2HB GLU 22 2HB GLU 22 -4.331 -4.514 -8.260
162 1HG GLU 22 1HG GLU 22 -2.364 -2.992 -8.430
163 2HG GLU 22 2HG GLU 22 -3.268 -1.944 -9.510
164 H LYS 23 H LYS 23 -2.237 -5.131 -12.266
165 HA LYS 23 HA LYS 23 -0.314 -6.395 -12.441
166 1HB LYS 23 1HB LYS 23 -0.080 -3.567 -11.596
167 2HB LYS 23 2HB LYS 23 1.398 -4.482 -11.636
168 1HG LYS 23 1HG LYS 23 0.981 -5.181 -13.971
169 2HG LYS 23 2HG LYS 23 -0.528 -4.296 -13.972
170 1HD LYS 23 1HD LYS 23 2.180 -2.972 -13.516
171 2HD LYS 23 2HD LYS 23 1.446 -3.126 -15.096
172 1HE LYS 23 1HE LYS 23 0.914 -0.911 -14.290
173 2HE LYS 23 2HE LYS 23 -0.570 -1.841 -14.200
174 1HZ LYS 23 1HZ LYS 23 1.070 -1.911 -11.824
175 2HZ LYS 23 2HZ LYS 23 0.415 -0.394 -12.206
176 3HZ LYS 23 3HZ LYS 23 -0.611 -1.728 -11.991
177 H LYS 24 H LYS 24 -0.361 -8.142 -11.057
178 HA LYS 24 HA LYS 24 1.221 -7.835 -8.528
179 1HB LYS 24 1HB LYS 24 -0.180 -10.219 -8.130
180 2HB LYS 24 2HB LYS 24 -0.741 -8.665 -7.600
181 1HG LYS 24 1HG LYS 24 -2.574 -9.724 -8.732
182 2HG LYS 24 2HG LYS 24 -2.063 -8.339 -9.660
183 1HD LYS 24 1HD LYS 24 -2.290 -9.931 -11.367
184 2HD LYS 24 2HD LYS 24 -0.596 -10.119 -11.005
185 1HE LYS 24 1HE LYS 24 -2.787 -11.862 -9.812
186 2HE LYS 24 2HE LYS 24 -1.798 -12.307 -11.191
187 1HZ LYS 24 1HZ LYS 24 0.159 -12.030 -9.727
188 2HZ LYS 24 2HZ LYS 24 -0.906 -11.851 -8.412
189 3HZ LYS 24 3HZ LYS 24 -0.878 -13.299 -9.295
190 H ASN 25 H ASN 25 2.685 -7.980 -10.604
191 HA ASN 25 HA ASN 25 4.030 -10.526 -10.313
192 1HB ASN 25 1HB ASN 25 2.226 -10.021 -12.629
193 2HB ASN 25 2HB ASN 25 3.826 -10.505 -13.151
194 1HD2 ASN 25 2HD2 ASN 25 0.865 -11.626 -11.767
195 2HD2 ASN 25 1HD2 ASN 25 1.341 -13.239 -11.534
196 H ASP 26 H ASP 26 4.406 -7.499 -10.371
197 HA ASP 26 HA ASP 26 7.200 -7.567 -10.965
198 1HB ASP 26 1HB ASP 26 5.552 -7.244 -13.295
199 2HB ASP 26 2HB ASP 26 6.192 -5.651 -13.006
200 H ARG 27 H ARG 27 5.796 -6.732 -8.885
201 HA ARG 27 HA ARG 27 5.144 -4.938 -7.508
202 1HB ARG 27 1HB ARG 27 7.222 -5.731 -6.706
203 2HB ARG 27 2HB ARG 27 8.121 -4.998 -8.005
204 1HG ARG 27 1HG ARG 27 6.800 -2.915 -6.429
205 2HG ARG 27 2HG ARG 27 7.686 -3.986 -5.386
206 1HD ARG 27 1HD ARG 27 9.228 -2.234 -5.975
207 2HD ARG 27 2HD ARG 27 9.716 -3.632 -6.902
208 HE ARG 27 HE ARG 27 8.870 -2.627 -8.898
209 1HH1 ARG 27 1HH1 ARG 27 8.507 -0.599 -6.087
210 2HH1 ARG 27 2HH1 ARG 27 8.241 0.823 -7.033
211 1HH2 ARG 27 1HH2 ARG 27 8.528 -0.831 -10.079
212 2HH2 ARG 27 2HH2 ARG 27 8.252 0.696 -9.308
213 H ILE 28 H ILE 28 3.890 -3.350 -8.128
214 HA ILE 28 HA ILE 28 4.445 -1.407 -10.117
215 HB ILE 28 HB ILE 28 2.461 -0.953 -7.916
216 1HG1 ILE 28 1HG1 ILE 28 1.836 -2.750 -10.341
217 2HG1 ILE 28 2HG1 ILE 28 2.308 -3.524 -8.869
218 1HG2 ILE 28 1HG2 ILE 28 2.380 -0.557 -10.905
219 2HG2 ILE 28 2HG2 ILE 28 1.053 -0.176 -9.818
220 3HG2 ILE 28 3HG2 ILE 28 2.540 0.711 -9.702
221 1HD1 ILE 28 1HD1 ILE 28 0.398 -2.438 -7.681
222 2HD1 ILE 28 2HD1 ILE 28 -0.149 -1.775 -9.212
223 3HD1 ILE 28 3HD1 ILE 28 -0.082 -3.509 -8.978
224 H CYS 29 H CYS 29 4.067 1.021 -9.237
225 HA CYS 29 HA CYS 29 5.944 1.563 -6.977
226 1HB CYS 29 1HB CYS 29 6.677 1.817 -9.517
227 2HB CYS 29 2HB CYS 29 5.715 3.252 -9.480
228 H THR 30 H THR 30 3.848 1.547 -5.879
229 HA THR 30 HA THR 30 2.443 4.172 -6.093
230 HB THR 30 HB THR 30 1.081 2.411 -7.255
231 HG1 THR 30 HG1 THR 30 -0.768 2.783 -5.907
232 1HG2 THR 30 1HG2 THR 30 1.783 0.434 -5.769
233 2HG2 THR 30 2HG2 THR 30 0.878 1.161 -4.450
234 3HG2 THR 30 3HG2 THR 30 0.041 0.615 -5.892
235 H ASN 31 H ASN 31 0.903 4.424 -4.203
236 HA ASN 31 HA ASN 31 2.240 3.733 -1.610
237 1HB ASN 31 1HB ASN 31 0.443 6.139 -2.159
238 2HB ASN 31 2HB ASN 31 1.416 5.877 -0.731
239 1HD2 ASN 31 2HD2 ASN 31 1.338 7.996 -2.948
240 2HD2 ASN 31 1HD2 ASN 31 2.982 8.175 -3.323
241 H CYS 32 H CYS 32 0.624 3.783 0.239
242 HA CYS 32 HA CYS 32 -1.577 1.979 -0.353
243 1HB CYS 32 1HB CYS 32 -0.558 1.824 1.851
244 2HB CYS 32 2HB CYS 32 -0.792 3.531 2.148
245 H CYS 33 H CYS 33 -1.179 5.341 0.430
246 HA CYS 33 HA CYS 33 -3.927 6.155 0.485
247 1HB CYS 33 1HB CYS 33 -2.250 7.486 1.542
248 2HB CYS 33 2HB CYS 33 -1.298 7.569 0.088
249 H ALA 34 H ALA 34 -1.467 6.130 -2.004
250 HA ALA 34 HA ALA 34 -2.926 7.393 -4.109
251 1HB ALA 34 1HB ALA 34 -0.806 5.218 -4.257
252 2HB ALA 34 2HB ALA 34 -1.318 6.218 -5.601
253 3HB ALA 34 3HB ALA 34 -0.480 6.945 -4.233
254 H GLY 35 H GLY 35 -2.619 4.109 -3.030
255 1HA GLY 35 1HA GLY 35 -4.099 2.772 -4.961
256 2HA GLY 35 2HA GLY 35 -3.842 2.200 -3.325
257 H THR 36 H THR 36 -6.236 2.075 -5.029
258 HA THR 36 HA THR 36 -8.193 3.860 -3.805
259 HB THR 36 HB THR 36 -9.122 1.372 -5.163
260 HG1 THR 36 HG1 THR 36 -7.290 2.070 -6.385
261 1HG2 THR 36 1HG2 THR 36 -9.762 4.337 -5.628
262 2HG2 THR 36 2HG2 THR 36 -10.620 2.984 -6.344
263 3HG2 THR 36 3HG2 THR 36 -10.733 3.275 -4.623
264 H LYS 37 H LYS 37 -10.221 2.817 -2.975
265 HA LYS 37 HA LYS 37 -9.533 1.352 -0.554
266 1HB LYS 37 1HB LYS 37 -11.086 2.946 -0.032
267 2HB LYS 37 2HB LYS 37 -11.788 2.978 -1.619
268 1HG LYS 37 1HG LYS 37 -12.455 0.610 0.118
269 2HG LYS 37 2HG LYS 37 -13.105 2.154 0.564
270 1HD LYS 37 1HD LYS 37 -14.694 0.855 -0.806
271 2HD LYS 37 2HD LYS 37 -14.295 2.391 -1.523
272 1HE LYS 37 1HE LYS 37 -13.086 -0.242 -2.437
273 2HE LYS 37 2HE LYS 37 -14.492 0.507 -3.151
274 1HZ LYS 37 1HZ LYS 37 -13.132 2.512 -3.550
275 2HZ LYS 37 2HZ LYS 37 -11.761 1.634 -3.082
276 3HZ LYS 37 3HZ LYS 37 -12.655 1.143 -4.435
277 H GLY 38 H GLY 38 -10.733 -0.563 0.117
278 1HA GLY 38 1HA GLY 38 -11.660 -2.699 -0.229
279 2HA GLY 38 2HA GLY 38 -11.952 -2.277 -1.914
280 H CYS 39 H CYS 39 -9.107 -1.449 -2.307
281 HA CYS 39 HA CYS 39 -8.067 -4.011 -3.113
282 1HB CYS 39 1HB CYS 39 -6.689 -1.348 -2.888
283 2HB CYS 39 2HB CYS 39 -6.184 -2.659 -3.913
284 H LYS 40 H LYS 40 -5.797 -4.608 -2.566
285 HA LYS 40 HA LYS 40 -5.063 -4.243 0.302
286 1HB LYS 40 1HB LYS 40 -4.448 -6.735 0.258
287 2HB LYS 40 2HB LYS 40 -6.153 -6.350 0.325
288 1HG LYS 40 1HG LYS 40 -6.390 -6.766 -2.074
289 2HG LYS 40 2HG LYS 40 -4.671 -7.045 -2.258
290 1HD LYS 40 1HD LYS 40 -5.776 -9.198 -2.173
291 2HD LYS 40 2HD LYS 40 -4.935 -9.011 -0.649
292 1HE LYS 40 1HE LYS 40 -7.042 -8.314 0.461
293 2HE LYS 40 2HE LYS 40 -7.898 -8.434 -1.072
294 1HZ LYS 40 1HZ LYS 40 -6.513 -10.654 0.313
295 2HZ LYS 40 2HZ LYS 40 -8.191 -10.392 0.285
296 3HZ LYS 40 3HZ LYS 40 -7.366 -10.771 -1.151
297 H TYR 41 H TYR 41 -3.270 -3.076 0.151
298 HA TYR 41 HA TYR 41 -1.328 -3.660 -1.946
299 1HB TYR 41 1HB TYR 41 -1.689 -1.362 0.002
300 2HB TYR 41 2HB TYR 41 -0.356 -1.482 -1.124
301 HD1 TYR 41 HD1 TYR 41 -0.815 -1.474 -3.602
302 HD2 TYR 41 HD2 TYR 41 -3.914 -0.803 -0.759
303 HE1 TYR 41 HE1 TYR 41 -2.251 -0.596 -5.378
304 HE2 TYR 41 HE2 TYR 41 -5.339 0.084 -2.537
305 HH TYR 41 HH TYR 41 -5.467 0.715 -4.657
306 H PHE 42 H PHE 42 0.346 -4.821 -1.581
307 HA PHE 42 HA PHE 42 1.434 -5.216 1.136
308 1HB PHE 42 1HB PHE 42 2.329 -7.222 -0.767
309 2HB PHE 42 2HB PHE 42 1.419 -7.397 0.709
310 HD1 PHE 42 HD1 PHE 42 0.992 -6.634 -2.918
311 HD2 PHE 42 HD2 PHE 42 -0.840 -7.969 0.687
312 HE1 PHE 42 HE1 PHE 42 -1.020 -7.292 -4.169
313 HE2 PHE 42 HE2 PHE 42 -2.840 -8.628 -0.567
314 HZ PHE 42 HZ PHE 42 -2.928 -8.290 -3.003
315 H SER 43 H SER 43 3.593 -5.564 1.370
316 HA SER 43 HA SER 43 5.275 -3.720 0.064
317 1HB SER 43 1HB SER 43 5.859 -5.949 2.064
318 2HB SER 43 2HB SER 43 6.943 -4.651 1.656
319 HG SER 43 HG SER 43 5.331 -3.169 2.289
320 H ASP 44 H ASP 44 7.579 -4.469 -0.191
321 HA ASP 44 HA ASP 44 7.756 -6.002 -2.638
322 1HB ASP 44 1HB ASP 44 9.331 -4.080 -1.021
323 2HB ASP 44 2HB ASP 44 10.318 -5.314 -1.733
324 H ASP 45 H ASP 45 8.556 -6.330 0.706
325 HA ASP 45 HA ASP 45 10.075 -8.779 0.521
326 1HB ASP 45 1HB ASP 45 10.316 -7.242 2.437
327 2HB ASP 45 2HB ASP 45 8.618 -7.422 2.839
328 H GLY 46 H GLY 46 6.831 -8.120 0.027
329 1HA GLY 46 1HA GLY 46 5.062 -9.479 -0.412
330 2HA GLY 46 2HA GLY 46 6.092 -10.892 -0.065
331 H THR 47 H THR 47 4.701 -8.067 1.528
332 HA THR 47 HA THR 47 3.541 -9.615 3.625
333 HB THR 47 HB THR 47 5.710 -7.511 4.116
334 HG1 THR 47 HG1 THR 47 6.588 -9.461 3.692
335 1HG2 THR 47 1HG2 THR 47 4.142 -9.209 6.165
336 2HG2 THR 47 2HG2 THR 47 5.410 -8.058 6.557
337 3HG2 THR 47 3HG2 THR 47 3.872 -7.488 5.936
338 H PHE 48 H PHE 48 1.605 -8.896 3.639
339 HA PHE 48 HA PHE 48 0.455 -6.700 2.448
340 1HB PHE 48 1HB PHE 48 -0.860 -8.544 3.277
341 2HB PHE 48 2HB PHE 48 -0.391 -8.218 4.933
342 HD1 PHE 48 HD1 PHE 48 -2.544 -7.109 2.141
343 HD2 PHE 48 HD2 PHE 48 -1.364 -6.346 6.168
344 HE1 PHE 48 HE1 PHE 48 -4.476 -5.625 2.436
345 HE2 PHE 48 HE2 PHE 48 -3.293 -4.866 6.454
346 HZ PHE 48 HZ PHE 48 -4.850 -4.504 4.597
347 H VAL 49 H VAL 49 0.372 -4.637 2.737
348 HA VAL 49 HA VAL 49 1.396 -3.416 5.263
349 HB VAL 49 HB VAL 49 0.983 -2.141 2.521
350 1HG1 VAL 49 1HG1 VAL 49 2.326 -1.064 5.044
351 2HG1 VAL 49 2HG1 VAL 49 2.289 -0.257 3.487
352 3HG1 VAL 49 3HG1 VAL 49 0.805 -0.488 4.386
353 1HG2 VAL 49 1HG2 VAL 49 3.495 -3.025 3.967
354 2HG2 VAL 49 2HG2 VAL 49 2.794 -3.811 2.559
355 3HG2 VAL 49 3HG2 VAL 49 3.454 -2.191 2.422
356 H CYS 50 H CYS 50 -1.192 -2.728 2.841
357 HA CYS 50 HA CYS 50 -3.043 -2.179 5.088
358 1HB CYS 50 1HB CYS 50 -3.384 0.067 4.667
359 2HB CYS 50 2HB CYS 50 -1.692 -0.024 4.252
360 H GLU 51 H GLU 51 -5.243 -1.530 4.134
361 HA GLU 51 HA GLU 51 -5.653 -2.997 1.562
362 1HB GLU 51 1HB GLU 51 -6.552 -4.489 3.208
363 2HB GLU 51 2HB GLU 51 -7.143 -3.193 4.216
364 1HG GLU 51 1HG GLU 51 -8.371 -3.957 1.523
365 2HG GLU 51 2HG GLU 51 -8.901 -4.610 3.041
366 H GLY 52 H GLY 52 -5.661 -1.294 0.382
367 1HA GLY 52 1HA GLY 52 -6.130 0.726 -0.583
368 2HA GLY 52 2HA GLY 52 -7.771 0.184 -0.321
369 H GLU 53 H GLU 53 -7.340 2.720 -0.732
370 HA GLU 53 HA GLU 53 -8.304 3.995 1.719
371 1HB GLU 53 1HB GLU 53 -5.714 4.928 0.409
372 2HB GLU 53 2HB GLU 53 -6.628 5.904 1.543
373 1HG GLU 53 1HG GLU 53 -6.401 3.914 3.193
374 2HG GLU 53 2HG GLU 53 -5.154 3.328 2.102
375 H SER 54 H SER 54 -8.699 3.627 -1.480
376 HA SER 54 HA SER 54 -9.942 4.756 -3.081
377 1HB SER 54 1HB SER 54 -11.498 5.147 -1.068
378 2HB SER 54 2HB SER 54 -10.723 6.715 -0.837
379 HG SER 54 HG SER 54 -11.171 6.668 -3.350
Start of MODEL 12
1 1H MET 1 1H MET 1 -7.427 13.281 -0.914
2 2H MET 1 2H MET 1 -7.953 13.236 0.700
3 3H MET 1 3H MET 1 -8.583 12.135 -0.431
4 HA MET 1 HA MET 1 -10.204 13.798 -0.044
5 1HB MET 1 1HB MET 1 -7.897 15.498 0.178
6 2HB MET 1 2HB MET 1 -8.782 16.107 -1.203
7 1HG MET 1 1HG MET 1 -10.839 16.205 0.159
8 2HG MET 1 2HG MET 1 -9.964 15.602 1.539
9 1HE MET 1 1HE MET 1 -7.611 16.928 2.242
10 2HE MET 1 2HE MET 1 -8.056 18.470 2.943
11 3HE MET 1 3HE MET 1 -9.012 17.049 3.335
12 H LYS 2 H LYS 2 -11.420 13.169 -1.647
13 HA LYS 2 HA LYS 2 -12.213 12.612 -3.761
14 1HB LYS 2 1HB LYS 2 -12.313 15.130 -3.741
15 2HB LYS 2 2HB LYS 2 -10.736 15.197 -4.503
16 1HG LYS 2 1HG LYS 2 -11.659 13.880 -6.454
17 2HG LYS 2 2HG LYS 2 -13.233 13.896 -5.693
18 1HD LYS 2 1HD LYS 2 -11.665 16.373 -6.542
19 2HD LYS 2 2HD LYS 2 -12.988 15.667 -7.445
20 1HE LYS 2 1HE LYS 2 -13.206 16.874 -4.644
21 2HE LYS 2 2HE LYS 2 -13.809 17.576 -6.133
22 1HZ LYS 2 1HZ LYS 2 -15.150 15.486 -6.386
23 2HZ LYS 2 2HZ LYS 2 -14.751 15.138 -4.772
24 3HZ LYS 2 3HZ LYS 2 -15.623 16.547 -5.147
25 H ALA 3 H ALA 3 -10.806 10.800 -3.730
26 HA ALA 3 HA ALA 3 -9.439 9.250 -4.756
27 1HB ALA 3 1HB ALA 3 -10.404 10.084 -6.879
28 2HB ALA 3 2HB ALA 3 -9.193 11.350 -6.972
29 3HB ALA 3 3HB ALA 3 -8.713 9.672 -7.095
30 H CYS 4 H CYS 4 -7.467 8.697 -4.177
31 HA CYS 4 HA CYS 4 -5.535 10.598 -3.212
32 1HB CYS 4 1HB CYS 4 -5.309 7.667 -3.803
33 2HB CYS 4 2HB CYS 4 -4.173 8.579 -2.868
34 H THR 5 H THR 5 -3.122 10.047 -3.886
35 HA THR 5 HA THR 5 -2.821 10.925 -6.633
36 HB THR 5 HB THR 5 -0.516 10.159 -4.729
37 HG1 THR 5 HG1 THR 5 -2.048 11.323 -3.531
38 1HG2 THR 5 1HG2 THR 5 -0.142 11.258 -7.063
39 2HG2 THR 5 2HG2 THR 5 -1.108 12.602 -6.480
40 3HG2 THR 5 3HG2 THR 5 0.423 12.221 -5.702
41 H LEU 6 H LEU 6 -0.317 9.484 -7.092
42 HA LEU 6 HA LEU 6 -1.160 6.645 -7.337
43 1HB LEU 6 1HB LEU 6 -0.196 8.383 -9.646
44 2HB LEU 6 2HB LEU 6 -0.426 6.653 -9.750
45 HG LEU 6 HG LEU 6 -2.675 8.624 -9.091
46 1HD1 LEU 6 1HD1 LEU 6 -2.005 7.211 -11.710
47 2HD1 LEU 6 2HD1 LEU 6 -3.422 8.208 -11.419
48 3HD1 LEU 6 3HD1 LEU 6 -1.824 8.931 -11.406
49 1HD2 LEU 6 1HD2 LEU 6 -2.738 5.663 -9.871
50 2HD2 LEU 6 2HD2 LEU 6 -3.054 6.267 -8.256
51 3HD2 LEU 6 3HD2 LEU 6 -4.142 6.671 -9.565
52 H ASN 7 H ASN 7 1.275 8.830 -6.599
53 HA ASN 7 HA ASN 7 3.598 7.711 -7.488
54 1HB ASN 7 1HB ASN 7 3.051 9.030 -4.812
55 2HB ASN 7 2HB ASN 7 4.658 8.752 -5.459
56 1HD2 ASN 7 1HD2 ASN 7 1.557 10.336 -6.360
57 2HD2 ASN 7 2HD2 ASN 7 2.283 11.589 -7.248
58 H CYS 8 H CYS 8 5.176 6.523 -6.448
59 HA CYS 8 HA CYS 8 4.192 4.043 -5.243
60 1HB CYS 8 1HB CYS 8 7.100 4.331 -5.478
61 2HB CYS 8 2HB CYS 8 6.041 3.069 -6.029
62 H ASP 9 H ASP 9 4.366 3.354 -3.269
63 HA ASP 9 HA ASP 9 5.557 5.102 -1.185
64 1HB ASP 9 1HB ASP 9 3.222 4.440 -0.921
65 2HB ASP 9 2HB ASP 9 3.622 2.749 -1.046
66 HA PRO 10 HA PRO 10 9.156 2.622 -1.739
67 1HB PRO 10 1HB PRO 10 10.151 3.021 0.955
68 2HB PRO 10 2HB PRO 10 10.687 3.775 -0.537
69 1HG PRO 10 1HG PRO 10 9.005 4.893 1.560
70 2HG PRO 10 2HG PRO 10 9.729 5.712 0.185
71 1HD PRO 10 1HD PRO 10 6.984 5.149 0.512
72 2HD PRO 10 2HD PRO 10 7.758 5.639 -1.003
73 H ARG 11 H ARG 11 7.559 2.098 1.296
74 HA ARG 11 HA ARG 11 8.604 -0.588 1.686
75 1HB ARG 11 1HB ARG 11 6.858 -0.741 3.510
76 2HB ARG 11 2HB ARG 11 7.978 0.601 3.667
77 1HG ARG 11 1HG ARG 11 6.449 2.164 2.922
78 2HG ARG 11 2HG ARG 11 5.409 0.991 2.146
79 1HD ARG 11 1HD ARG 11 4.858 0.152 4.515
80 2HD ARG 11 2HD ARG 11 5.665 1.625 5.090
81 HE ARG 11 HE ARG 11 3.967 2.304 2.947
82 1HH1 ARG 11 1HH1 ARG 11 3.786 1.184 6.219
83 2HH1 ARG 11 2HH1 ARG 11 2.245 1.912 6.521
84 1HH2 ARG 11 1HH2 ARG 11 1.988 3.247 3.305
85 2HH2 ARG 11 2HH2 ARG 11 1.209 3.100 4.844
86 H ILE 12 H ILE 12 5.822 0.712 0.075
87 HA ILE 12 HA ILE 12 4.418 -1.871 -0.091
88 HB ILE 12 HB ILE 12 3.770 0.778 -1.363
89 1HG1 ILE 12 1HG1 ILE 12 2.797 -0.700 1.124
90 2HG1 ILE 12 2HG1 ILE 12 3.687 0.809 1.109
91 1HG2 ILE 12 1HG2 ILE 12 2.785 -1.150 -2.635
92 2HG2 ILE 12 2HG2 ILE 12 2.106 -1.786 -1.146
93 3HG2 ILE 12 3HG2 ILE 12 1.541 -0.258 -1.806
94 1HD1 ILE 12 1HD1 ILE 12 1.806 1.893 -0.041
95 2HD1 ILE 12 2HD1 ILE 12 0.892 0.388 0.061
96 3HD1 ILE 12 3HD1 ILE 12 1.371 1.223 1.531
97 H ALA 13 H ALA 13 4.252 -3.098 -1.839
98 HA ALA 13 HA ALA 13 6.121 -2.661 -4.119
99 1HB ALA 13 1HB ALA 13 4.595 -5.149 -3.232
100 2HB ALA 13 2HB ALA 13 5.732 -5.086 -4.564
101 3HB ALA 13 3HB ALA 13 6.290 -4.788 -2.938
102 H TYR 14 H TYR 14 2.881 -3.906 -3.445
103 HA TYR 14 HA TYR 14 1.667 -2.189 -5.457
104 1HB TYR 14 1HB TYR 14 0.983 -3.941 -7.056
105 2HB TYR 14 2HB TYR 14 2.723 -3.891 -6.906
106 HD1 TYR 14 HD1 TYR 14 3.889 -5.635 -5.460
107 HD2 TYR 14 HD2 TYR 14 -0.227 -5.925 -6.481
108 HE1 TYR 14 HE1 TYR 14 3.916 -7.999 -4.858
109 HE2 TYR 14 HE2 TYR 14 -0.203 -8.290 -5.879
110 HH TYR 14 HH TYR 14 1.786 -10.156 -5.804
111 H GLY 15 H GLY 15 -0.568 -2.983 -6.000
112 1HA GLY 15 1HA GLY 15 -1.875 -4.166 -3.605
113 2HA GLY 15 2HA GLY 15 -2.496 -2.672 -4.289
114 H VAL 16 H VAL 16 -3.875 -5.082 -3.940
115 HA VAL 16 HA VAL 16 -4.606 -5.674 -6.798
116 HB VAL 16 HB VAL 16 -4.201 -7.646 -4.521
117 1HG1 VAL 16 1HG1 VAL 16 -5.593 -8.179 -7.179
118 2HG1 VAL 16 2HG1 VAL 16 -5.139 -9.412 -6.011
119 3HG1 VAL 16 3HG1 VAL 16 -6.370 -8.234 -5.607
120 1HG2 VAL 16 1HG2 VAL 16 -3.172 -7.472 -7.381
121 2HG2 VAL 16 2HG2 VAL 16 -2.236 -7.079 -5.955
122 3HG2 VAL 16 3HG2 VAL 16 -2.731 -8.733 -6.258
123 H CYS 17 H CYS 17 -6.489 -4.938 -7.142
124 HA CYS 17 HA CYS 17 -8.481 -4.618 -5.003
125 1HB CYS 17 1HB CYS 17 -8.456 -3.729 -7.879
126 2HB CYS 17 2HB CYS 17 -9.628 -3.225 -6.690
127 HA PRO 18 HA PRO 18 -10.963 -8.067 -5.820
128 1HB PRO 18 1HB PRO 18 -13.503 -6.643 -6.042
129 2HB PRO 18 2HB PRO 18 -12.907 -7.655 -4.736
130 1HG PRO 18 1HG PRO 18 -13.130 -4.821 -4.734
131 2HG PRO 18 2HG PRO 18 -12.380 -5.819 -3.497
132 1HD PRO 18 1HD PRO 18 -11.082 -4.071 -5.427
133 2HD PRO 18 2HD PRO 18 -10.348 -4.965 -4.086
134 H ARG 19 H ARG 19 -11.334 -9.240 -7.504
135 HA ARG 19 HA ARG 19 -11.507 -9.928 -9.690
136 1HB ARG 19 1HB ARG 19 -13.813 -8.041 -9.178
137 2HB ARG 19 2HB ARG 19 -13.566 -8.473 -10.850
138 1HG ARG 19 1HG ARG 19 -15.126 -10.042 -9.876
139 2HG ARG 19 2HG ARG 19 -13.637 -10.892 -10.237
140 1HD ARG 19 1HD ARG 19 -12.937 -10.752 -7.865
141 2HD ARG 19 2HD ARG 19 -14.363 -9.804 -7.466
142 HE ARG 19 HE ARG 19 -14.246 -12.688 -7.913
143 1HH1 ARG 19 1HH1 ARG 19 -16.253 -9.860 -7.947
144 2HH1 ARG 19 2HH1 ARG 19 -17.714 -10.758 -7.715
145 1HH2 ARG 19 1HH2 ARG 19 -16.083 -13.840 -7.621
146 2HH2 ARG 19 2HH2 ARG 19 -17.619 -13.044 -7.528
147 H SER 20 H SER 20 -9.610 -7.865 -9.202
148 HA SER 20 HA SER 20 -9.544 -6.409 -11.822
149 1HB SER 20 1HB SER 20 -7.830 -5.958 -9.309
150 2HB SER 20 2HB SER 20 -7.893 -4.914 -10.737
151 HG SER 20 HG SER 20 -9.956 -5.521 -8.910
152 H GLU 21 H GLU 21 -9.242 -8.881 -12.175
153 HA GLU 21 HA GLU 21 -7.959 -10.587 -13.068
154 1HB GLU 21 1HB GLU 21 -5.970 -8.320 -13.567
155 2HB GLU 21 2HB GLU 21 -5.934 -9.882 -14.345
156 1HG GLU 21 1HG GLU 21 -6.982 -8.329 -15.884
157 2HG GLU 21 2HG GLU 21 -8.216 -9.436 -15.315
158 H GLU 22 H GLU 22 -7.177 -9.354 -10.215
159 HA GLU 22 HA GLU 22 -5.751 -9.868 -8.482
160 1HB GLU 22 1HB GLU 22 -6.758 -12.233 -9.541
161 2HB GLU 22 2HB GLU 22 -5.043 -12.578 -9.571
162 1HG GLU 22 1HG GLU 22 -4.959 -11.814 -7.128
163 2HG GLU 22 2HG GLU 22 -6.708 -11.728 -7.165
164 H LYS 23 H LYS 23 -4.150 -8.361 -9.001
165 HA LYS 23 HA LYS 23 -1.937 -9.065 -10.731
166 1HB LYS 23 1HB LYS 23 -2.844 -6.631 -9.224
167 2HB LYS 23 2HB LYS 23 -1.124 -6.723 -9.511
168 1HG LYS 23 1HG LYS 23 -2.052 -5.542 -11.359
169 2HG LYS 23 2HG LYS 23 -1.624 -7.131 -11.962
170 1HD LYS 23 1HD LYS 23 -4.001 -7.870 -11.701
171 2HD LYS 23 2HD LYS 23 -4.416 -6.293 -11.054
172 1HE LYS 23 1HE LYS 23 -5.018 -6.358 -13.431
173 2HE LYS 23 2HE LYS 23 -3.661 -5.263 -13.234
174 1HZ LYS 23 1HZ LYS 23 -3.327 -8.112 -13.940
175 2HZ LYS 23 2HZ LYS 23 -3.490 -6.881 -15.099
176 3HZ LYS 23 3HZ LYS 23 -2.172 -6.870 -14.027
177 H LYS 24 H LYS 24 -2.188 -10.896 -8.574
178 HA LYS 24 HA LYS 24 -0.043 -10.293 -6.644
179 1HB LYS 24 1HB LYS 24 -1.502 -12.952 -7.023
180 2HB LYS 24 2HB LYS 24 -0.656 -12.409 -5.594
181 1HG LYS 24 1HG LYS 24 -3.095 -10.932 -6.647
182 2HG LYS 24 2HG LYS 24 -3.270 -12.347 -5.639
183 1HD LYS 24 1HD LYS 24 -1.620 -9.911 -4.828
184 2HD LYS 24 2HD LYS 24 -3.308 -10.128 -4.400
185 1HE LYS 24 1HE LYS 24 -1.043 -12.026 -3.601
186 2HE LYS 24 2HE LYS 24 -1.827 -10.865 -2.553
187 1HZ LYS 24 1HZ LYS 24 -3.960 -12.036 -3.152
188 2HZ LYS 24 2HZ LYS 24 -2.984 -13.279 -3.773
189 3HZ LYS 24 3HZ LYS 24 -2.882 -12.859 -2.131
190 H ASN 25 H ASN 25 0.998 -10.047 -8.931
191 HA ASN 25 HA ASN 25 3.235 -11.747 -9.083
192 1HB ASN 25 1HB ASN 25 0.855 -12.550 -10.702
193 2HB ASN 25 2HB ASN 25 2.287 -12.360 -11.679
194 1HD2 ASN 25 2HD2 ASN 25 4.349 -13.429 -10.459
195 2HD2 ASN 25 1HD2 ASN 25 4.060 -14.996 -9.876
196 H ASP 26 H ASP 26 2.436 -8.992 -8.984
197 HA ASP 26 HA ASP 26 4.146 -7.924 -11.071
198 1HB ASP 26 1HB ASP 26 1.322 -8.049 -11.589
199 2HB ASP 26 2HB ASP 26 1.643 -6.373 -11.202
200 H ARG 27 H ARG 27 5.374 -6.677 -9.928
201 HA ARG 27 HA ARG 27 4.328 -5.225 -7.559
202 1HB ARG 27 1HB ARG 27 6.315 -6.499 -7.105
203 2HB ARG 27 2HB ARG 27 7.103 -5.944 -8.561
204 1HG ARG 27 1HG ARG 27 6.398 -3.654 -6.844
205 2HG ARG 27 2HG ARG 27 7.302 -4.846 -5.949
206 1HD ARG 27 1HD ARG 27 8.254 -3.744 -8.624
207 2HD ARG 27 2HD ARG 27 8.748 -3.130 -7.050
208 HE ARG 27 HE ARG 27 9.078 -6.030 -7.670
209 1HH1 ARG 27 1HH1 ARG 27 10.509 -2.939 -6.940
210 2HH1 ARG 27 2HH1 ARG 27 12.063 -3.630 -6.635
211 1HH2 ARG 27 1HH2 ARG 27 11.031 -6.889 -7.288
212 2HH2 ARG 27 2HH2 ARG 27 12.367 -5.884 -6.836
213 H ILE 28 H ILE 28 3.209 -3.702 -8.506
214 HA ILE 28 HA ILE 28 3.960 -1.950 -10.603
215 HB ILE 28 HB ILE 28 1.853 -1.370 -8.525
216 1HG1 ILE 28 1HG1 ILE 28 1.399 -3.294 -10.902
217 2HG1 ILE 28 2HG1 ILE 28 1.671 -3.936 -9.309
218 1HG2 ILE 28 1HG2 ILE 28 1.930 -1.089 -11.550
219 2HG2 ILE 28 2HG2 ILE 28 0.587 -0.590 -10.537
220 3HG2 ILE 28 3HG2 ILE 28 2.109 0.240 -10.423
221 1HD1 ILE 28 1HD1 ILE 28 -0.312 -2.751 -8.443
222 2HD1 ILE 28 2HD1 ILE 28 -0.671 -2.175 -10.063
223 3HD1 ILE 28 3HD1 ILE 28 -0.690 -3.893 -9.718
224 H CYS 29 H CYS 29 3.468 0.640 -9.616
225 HA CYS 29 HA CYS 29 5.353 1.077 -7.360
226 1HB CYS 29 1HB CYS 29 6.365 1.228 -9.742
227 2HB CYS 29 2HB CYS 29 5.382 2.638 -9.957
228 H THR 30 H THR 30 3.145 1.263 -6.431
229 HA THR 30 HA THR 30 2.174 4.071 -6.641
230 HB THR 30 HB THR 30 0.690 2.554 -8.041
231 HG1 THR 30 HG1 THR 30 -1.207 3.201 -6.828
232 1HG2 THR 30 1HG2 THR 30 0.902 0.487 -6.530
233 2HG2 THR 30 2HG2 THR 30 0.000 1.379 -5.314
234 3HG2 THR 30 3HG2 THR 30 -0.765 0.950 -6.838
235 H ASN 31 H ASN 31 0.294 4.194 -4.693
236 HA ASN 31 HA ASN 31 1.639 3.101 -2.255
237 1HB ASN 31 1HB ASN 31 1.142 5.326 -1.155
238 2HB ASN 31 2HB ASN 31 2.220 5.453 -2.522
239 1HD2 ASN 31 2HD2 ASN 31 1.761 7.325 -3.582
240 2HD2 ASN 31 1HD2 ASN 31 0.193 7.928 -3.821
241 H CYS 32 H CYS 32 0.385 3.145 -0.328
242 HA CYS 32 HA CYS 32 -1.845 1.542 -0.368
243 1HB CYS 32 1HB CYS 32 -0.671 1.791 1.672
244 2HB CYS 32 2HB CYS 32 -0.870 3.525 1.685
245 H CYS 33 H CYS 33 -1.925 5.032 -0.347
246 HA CYS 33 HA CYS 33 -4.800 5.224 -0.032
247 1HB CYS 33 1HB CYS 33 -3.060 6.884 0.676
248 2HB CYS 33 2HB CYS 33 -2.789 7.263 -0.992
249 H ALA 34 H ALA 34 -2.602 5.278 -2.746
250 HA ALA 34 HA ALA 34 -4.204 6.241 -4.825
251 1HB ALA 34 1HB ALA 34 -2.023 4.149 -4.928
252 2HB ALA 34 2HB ALA 34 -2.645 5.022 -6.315
253 3HB ALA 34 3HB ALA 34 -1.798 5.886 -5.045
254 H GLY 35 H GLY 35 -3.751 2.863 -3.882
255 1HA GLY 35 1HA GLY 35 -5.354 1.709 -5.836
256 2HA GLY 35 2HA GLY 35 -5.126 0.970 -4.271
257 H THR 36 H THR 36 -7.569 0.842 -5.701
258 HA THR 36 HA THR 36 -9.449 2.802 -4.676
259 HB THR 36 HB THR 36 -10.389 0.105 -5.580
260 HG1 THR 36 HG1 THR 36 -9.026 2.110 -7.068
261 1HG2 THR 36 1HG2 THR 36 -11.135 2.968 -6.413
262 2HG2 THR 36 2HG2 THR 36 -11.998 1.512 -6.876
263 3HG2 THR 36 3HG2 THR 36 -12.029 2.054 -5.214
264 H LYS 37 H LYS 37 -11.469 1.806 -3.566
265 HA LYS 37 HA LYS 37 -10.639 0.914 -0.929
266 1HB LYS 37 1HB LYS 37 -12.504 2.294 -0.756
267 2HB LYS 37 2HB LYS 37 -13.173 1.773 -2.284
268 1HG LYS 37 1HG LYS 37 -13.970 -0.338 -1.248
269 2HG LYS 37 2HG LYS 37 -13.264 0.143 0.289
270 1HD LYS 37 1HD LYS 37 -14.747 2.157 0.319
271 2HD LYS 37 2HD LYS 37 -15.445 1.664 -1.213
272 1HE LYS 37 1HE LYS 37 -15.556 0.031 1.362
273 2HE LYS 37 2HE LYS 37 -16.884 0.970 0.695
274 1HZ LYS 37 1HZ LYS 37 -16.567 -0.421 -1.373
275 2HZ LYS 37 2HZ LYS 37 -15.620 -1.451 -0.411
276 3HZ LYS 37 3HZ LYS 37 -17.251 -1.187 -0.020
277 H GLY 38 H GLY 38 -10.869 -1.062 -0.013
278 1HA GLY 38 1HA GLY 38 -11.449 -3.343 0.182
279 2HA GLY 38 2HA GLY 38 -12.160 -3.295 -1.421
280 H CYS 39 H CYS 39 -9.257 -1.959 -1.990
281 HA CYS 39 HA CYS 39 -8.158 -4.381 -3.121
282 1HB CYS 39 1HB CYS 39 -6.747 -1.732 -2.706
283 2HB CYS 39 2HB CYS 39 -6.409 -2.931 -3.908
284 H LYS 40 H LYS 40 -5.797 -4.842 -2.750
285 HA LYS 40 HA LYS 40 -5.172 -4.898 0.182
286 1HB LYS 40 1HB LYS 40 -4.745 -7.165 -1.789
287 2HB LYS 40 2HB LYS 40 -4.389 -7.218 -0.072
288 1HG LYS 40 1HG LYS 40 -6.812 -6.885 0.432
289 2HG LYS 40 2HG LYS 40 -7.170 -6.854 -1.282
290 1HD LYS 40 1HD LYS 40 -5.989 -9.212 0.248
291 2HD LYS 40 2HD LYS 40 -7.631 -9.091 -0.345
292 1HE LYS 40 1HE LYS 40 -5.108 -9.254 -2.063
293 2HE LYS 40 2HE LYS 40 -6.360 -10.468 -1.904
294 1HZ LYS 40 1HZ LYS 40 -7.902 -8.602 -2.717
295 2HZ LYS 40 2HZ LYS 40 -6.469 -7.887 -3.284
296 3HZ LYS 40 3HZ LYS 40 -6.924 -9.427 -3.836
297 H TYR 41 H TYR 41 -3.492 -3.546 0.324
298 HA TYR 41 HA TYR 41 -1.359 -3.555 -1.675
299 1HB TYR 41 1HB TYR 41 -2.257 -1.693 0.495
300 2HB TYR 41 2HB TYR 41 -0.559 -1.666 0.100
301 HD1 TYR 41 HD1 TYR 41 -0.114 -1.753 -2.540
302 HD2 TYR 41 HD2 TYR 41 -3.611 -0.201 -0.694
303 HE1 TYR 41 HE1 TYR 41 -0.529 -0.400 -4.507
304 HE2 TYR 41 HE2 TYR 41 -4.030 1.180 -2.649
305 HH TYR 41 HH TYR 41 -2.405 2.182 -4.602
306 H PHE 42 H PHE 42 0.341 -4.787 -1.453
307 HA PHE 42 HA PHE 42 1.460 -5.370 1.218
308 1HB PHE 42 1HB PHE 42 2.229 -7.463 -0.570
309 2HB PHE 42 2HB PHE 42 1.170 -7.504 0.816
310 HD1 PHE 42 HD1 PHE 42 0.870 -6.398 -2.777
311 HD2 PHE 42 HD2 PHE 42 -0.845 -8.462 0.532
312 HE1 PHE 42 HE1 PHE 42 -1.075 -7.021 -4.147
313 HE2 PHE 42 HE2 PHE 42 -2.776 -9.085 -0.847
314 HZ PHE 42 HZ PHE 42 -2.881 -8.374 -3.186
315 H SER 43 H SER 43 3.613 -5.661 1.387
316 HA SER 43 HA SER 43 5.309 -3.923 -0.047
317 1HB SER 43 1HB SER 43 5.905 -6.107 1.985
318 2HB SER 43 2HB SER 43 6.970 -4.808 1.496
319 HG SER 43 HG SER 43 5.072 -4.692 3.292
320 H ASP 44 H ASP 44 7.556 -4.822 -0.408
321 HA ASP 44 HA ASP 44 7.432 -6.566 -2.773
322 1HB ASP 44 1HB ASP 44 8.953 -4.326 -2.065
323 2HB ASP 44 2HB ASP 44 10.109 -5.624 -1.873
324 H ASP 45 H ASP 45 8.768 -6.593 0.434
325 HA ASP 45 HA ASP 45 10.216 -9.093 0.135
326 1HB ASP 45 1HB ASP 45 10.604 -8.869 2.565
327 2HB ASP 45 2HB ASP 45 10.871 -7.328 1.771
328 H GLY 46 H GLY 46 6.943 -8.545 0.210
329 1HA GLY 46 1HA GLY 46 5.242 -10.042 0.276
330 2HA GLY 46 2HA GLY 46 6.359 -11.293 0.842
331 H THR 47 H THR 47 4.929 -8.243 1.881
332 HA THR 47 HA THR 47 3.969 -9.351 4.332
333 HB THR 47 HB THR 47 6.119 -7.180 4.215
334 HG1 THR 47 HG1 THR 47 6.821 -9.300 4.280
335 1HG2 THR 47 1HG2 THR 47 4.594 -8.207 6.697
336 2HG2 THR 47 2HG2 THR 47 5.891 -7.023 6.716
337 3HG2 THR 47 3HG2 THR 47 4.337 -6.610 6.014
338 H PHE 48 H PHE 48 1.985 -8.742 4.276
339 HA PHE 48 HA PHE 48 0.802 -6.736 2.737
340 1HB PHE 48 1HB PHE 48 -0.447 -8.596 3.710
341 2HB PHE 48 2HB PHE 48 -0.162 -7.988 5.332
342 HD1 PHE 48 HD1 PHE 48 -1.921 -7.297 2.128
343 HD2 PHE 48 HD2 PHE 48 -1.438 -6.148 6.207
344 HE1 PHE 48 HE1 PHE 48 -3.908 -5.870 1.969
345 HE2 PHE 48 HE2 PHE 48 -3.427 -4.723 6.039
346 HZ PHE 48 HZ PHE 48 -4.654 -4.584 3.926
347 H VAL 49 H VAL 49 0.513 -4.682 2.881
348 HA VAL 49 HA VAL 49 1.451 -3.178 5.275
349 HB VAL 49 HB VAL 49 1.023 -2.184 2.426
350 1HG1 VAL 49 1HG1 VAL 49 2.368 -0.870 4.837
351 2HG1 VAL 49 2HG1 VAL 49 2.308 -0.194 3.221
352 3HG1 VAL 49 3HG1 VAL 49 0.834 -0.371 4.144
353 1HG2 VAL 49 1HG2 VAL 49 3.559 -2.928 3.936
354 2HG2 VAL 49 2HG2 VAL 49 2.857 -3.831 2.603
355 3HG2 VAL 49 3HG2 VAL 49 3.515 -2.233 2.327
356 H CYS 50 H CYS 50 -1.218 -2.762 2.815
357 HA CYS 50 HA CYS 50 -3.120 -2.222 4.990
358 1HB CYS 50 1HB CYS 50 -3.360 0.062 4.788
359 2HB CYS 50 2HB CYS 50 -1.712 0.018 4.220
360 H GLU 51 H GLU 51 -5.159 -1.261 3.820
361 HA GLU 51 HA GLU 51 -5.668 -2.949 1.437
362 1HB GLU 51 1HB GLU 51 -7.956 -1.633 2.882
363 2HB GLU 51 2HB GLU 51 -7.785 -3.252 2.258
364 1HG GLU 51 1HG GLU 51 -6.551 -3.991 4.213
365 2HG GLU 51 2HG GLU 51 -6.528 -2.360 4.870
366 H GLY 52 H GLY 52 -6.342 -1.800 -0.427
367 1HA GLY 52 1HA GLY 52 -5.616 0.896 -0.768
368 2HA GLY 52 2HA GLY 52 -6.712 0.059 -1.839
369 H GLU 53 H GLU 53 -7.162 2.691 -1.534
370 HA GLU 53 HA GLU 53 -9.806 2.818 -0.365
371 1HB GLU 53 1HB GLU 53 -9.214 4.606 1.341
372 2HB GLU 53 2HB GLU 53 -8.554 3.032 1.722
373 1HG GLU 53 1HG GLU 53 -6.364 3.715 0.666
374 2HG GLU 53 2HG GLU 53 -7.022 5.313 0.373
375 H SER 54 H SER 54 -9.207 3.258 -2.878
376 HA SER 54 HA SER 54 -9.193 4.743 -4.686
377 1HB SER 54 1HB SER 54 -11.102 6.411 -4.486
378 2HB SER 54 2HB SER 54 -11.537 4.780 -3.975
379 HG SER 54 HG SER 54 -10.906 7.024 -2.397
Start of MODEL 13
1 1H MET 1 1H MET 1 -10.884 17.763 -4.596
2 2H MET 1 2H MET 1 -10.801 19.453 -4.448
3 3H MET 1 3H MET 1 -9.385 18.552 -4.714
4 HA MET 1 HA MET 1 -9.417 19.170 -2.451
5 1HB MET 1 1HB MET 1 -12.286 18.651 -2.775
6 2HB MET 1 2HB MET 1 -11.689 17.725 -1.415
7 1HG MET 1 1HG MET 1 -12.423 19.924 -0.676
8 2HG MET 1 2HG MET 1 -10.712 19.733 -0.426
9 1HE MET 1 1HE MET 1 -13.190 20.939 -3.228
10 2HE MET 1 2HE MET 1 -13.511 21.875 -1.748
11 3HE MET 1 3HE MET 1 -12.852 22.658 -3.175
12 H LYS 2 H LYS 2 -8.185 17.879 -1.321
13 HA LYS 2 HA LYS 2 -7.015 16.059 -0.557
14 1HB LYS 2 1HB LYS 2 -9.268 15.313 0.268
15 2HB LYS 2 2HB LYS 2 -9.568 14.511 -1.251
16 1HG LYS 2 1HG LYS 2 -8.850 12.872 0.414
17 2HG LYS 2 2HG LYS 2 -7.691 12.957 -0.887
18 1HD LYS 2 1HD LYS 2 -6.523 12.837 1.265
19 2HD LYS 2 2HD LYS 2 -6.204 14.394 0.541
20 1HE LYS 2 1HE LYS 2 -7.952 15.429 2.000
21 2HE LYS 2 2HE LYS 2 -8.296 13.851 2.699
22 1HZ LYS 2 1HZ LYS 2 -5.692 15.257 2.799
23 2HZ LYS 2 2HZ LYS 2 -6.810 15.146 4.073
24 3HZ LYS 2 3HZ LYS 2 -6.036 13.747 3.496
25 H ALA 3 H ALA 3 -5.549 14.622 -1.304
26 HA ALA 3 HA ALA 3 -5.757 13.010 -3.549
27 1HB ALA 3 1HB ALA 3 -4.146 15.591 -3.965
28 2HB ALA 3 2HB ALA 3 -4.149 14.241 -5.089
29 3HB ALA 3 3HB ALA 3 -5.609 15.180 -4.841
30 H CYS 4 H CYS 4 -4.340 11.436 -3.271
31 HA CYS 4 HA CYS 4 -2.328 11.589 -1.187
32 1HB CYS 4 1HB CYS 4 -3.082 9.448 -3.178
33 2HB CYS 4 2HB CYS 4 -1.944 9.216 -1.890
34 H THR 5 H THR 5 -0.243 10.119 -2.000
35 HA THR 5 HA THR 5 1.324 11.949 -3.542
36 HB THR 5 HB THR 5 1.907 9.091 -2.523
37 HG1 THR 5 HG1 THR 5 2.217 11.715 -1.476
38 1HG2 THR 5 1HG2 THR 5 3.753 11.447 -3.110
39 2HG2 THR 5 2HG2 THR 5 4.237 9.847 -2.544
40 3HG2 THR 5 3HG2 THR 5 3.588 10.048 -4.170
41 H LEU 6 H LEU 6 -0.226 8.909 -4.092
42 HA LEU 6 HA LEU 6 -0.942 7.834 -6.000
43 1HB LEU 6 1HB LEU 6 0.380 10.006 -7.675
44 2HB LEU 6 2HB LEU 6 -0.935 8.943 -8.121
45 HG LEU 6 HG LEU 6 -1.111 11.140 -6.003
46 1HD1 LEU 6 1HD1 LEU 6 -2.312 10.960 -8.794
47 2HD1 LEU 6 2HD1 LEU 6 -2.608 12.249 -7.638
48 3HD1 LEU 6 3HD1 LEU 6 -1.001 12.021 -8.305
49 1HD2 LEU 6 1HD2 LEU 6 -3.287 9.293 -7.101
50 2HD2 LEU 6 2HD2 LEU 6 -2.618 9.209 -5.480
51 3HD2 LEU 6 3HD2 LEU 6 -3.543 10.613 -5.970
52 H ASN 7 H ASN 7 2.367 9.065 -6.079
53 HA ASN 7 HA ASN 7 3.431 7.301 -7.922
54 1HB ASN 7 1HB ASN 7 4.758 8.719 -5.577
55 2HB ASN 7 2HB ASN 7 5.634 7.984 -6.911
56 1HD2 ASN 7 2HD2 ASN 7 3.795 10.775 -5.936
57 2HD2 ASN 7 1HD2 ASN 7 3.915 11.615 -7.406
58 H CYS 8 H CYS 8 5.450 5.945 -7.071
59 HA CYS 8 HA CYS 8 4.319 3.627 -5.745
60 1HB CYS 8 1HB CYS 8 7.244 3.650 -5.970
61 2HB CYS 8 2HB CYS 8 6.087 2.526 -6.606
62 H ASP 9 H ASP 9 4.358 3.152 -3.683
63 HA ASP 9 HA ASP 9 5.640 4.960 -1.743
64 1HB ASP 9 1HB ASP 9 3.311 4.204 -1.442
65 2HB ASP 9 2HB ASP 9 3.819 2.542 -1.370
66 HA PRO 10 HA PRO 10 9.279 2.564 -2.333
67 1HB PRO 10 1HB PRO 10 10.381 3.167 0.292
68 2HB PRO 10 2HB PRO 10 10.851 3.809 -1.273
69 1HG PRO 10 1HG PRO 10 9.264 5.082 0.793
70 2HG PRO 10 2HG PRO 10 9.866 5.781 -0.703
71 1HD PRO 10 1HD PRO 10 7.163 5.166 -0.119
72 2HD PRO 10 2HD PRO 10 7.811 5.577 -1.715
73 H ARG 11 H ARG 11 7.813 2.212 0.781
74 HA ARG 11 HA ARG 11 8.930 -0.412 1.333
75 1HB ARG 11 1HB ARG 11 7.242 -0.464 3.213
76 2HB ARG 11 2HB ARG 11 8.331 0.912 3.238
77 1HG ARG 11 1HG ARG 11 6.738 2.399 2.524
78 2HG ARG 11 2HG ARG 11 5.747 1.199 1.733
79 1HD ARG 11 1HD ARG 11 5.236 0.332 4.131
80 2HD ARG 11 2HD ARG 11 5.887 1.896 4.660
81 HE ARG 11 HE ARG 11 4.176 2.331 2.463
82 1HH1 ARG 11 1HH1 ARG 11 4.038 1.304 5.767
83 2HH1 ARG 11 2HH1 ARG 11 2.423 1.879 6.016
84 1HH2 ARG 11 1HH2 ARG 11 2.102 3.077 2.751
85 2HH2 ARG 11 2HH2 ARG 11 1.310 2.901 4.281
86 H ILE 12 H ILE 12 5.943 0.722 -0.127
87 HA ILE 12 HA ILE 12 4.658 -1.898 -0.097
88 HB ILE 12 HB ILE 12 3.890 0.567 -1.615
89 1HG1 ILE 12 1HG1 ILE 12 3.228 -0.483 1.178
90 2HG1 ILE 12 2HG1 ILE 12 3.958 1.048 0.768
91 1HG2 ILE 12 1HG2 ILE 12 2.853 -1.547 -2.502
92 2HG2 ILE 12 2HG2 ILE 12 2.310 -1.962 -0.885
93 3HG2 ILE 12 3HG2 ILE 12 1.649 -0.566 -1.721
94 1HD1 ILE 12 1HD1 ILE 12 1.897 1.758 -0.336
95 2HD1 ILE 12 2HD1 ILE 12 1.125 0.243 0.129
96 3HD1 ILE 12 3HD1 ILE 12 1.646 1.373 1.366
97 H ALA 13 H ALA 13 4.401 -3.246 -1.835
98 HA ALA 13 HA ALA 13 6.282 -2.908 -4.118
99 1HB ALA 13 1HB ALA 13 4.656 -5.340 -3.223
100 2HB ALA 13 2HB ALA 13 5.839 -5.323 -4.523
101 3HB ALA 13 3HB ALA 13 6.354 -5.053 -2.880
102 H TYR 14 H TYR 14 2.973 -4.005 -3.467
103 HA TYR 14 HA TYR 14 1.866 -2.257 -5.515
104 1HB TYR 14 1HB TYR 14 1.084 -4.075 -7.058
105 2HB TYR 14 2HB TYR 14 2.830 -3.960 -7.005
106 HD1 TYR 14 HD1 TYR 14 4.147 -5.653 -5.695
107 HD2 TYR 14 HD2 TYR 14 -0.047 -6.058 -6.264
108 HE1 TYR 14 HE1 TYR 14 4.295 -7.999 -5.032
109 HE2 TYR 14 HE2 TYR 14 0.101 -8.408 -5.600
110 HH TYR 14 HH TYR 14 1.836 -10.210 -5.585
111 H GLY 15 H GLY 15 -0.439 -3.076 -6.104
112 1HA GLY 15 1HA GLY 15 -1.790 -4.150 -3.692
113 2HA GLY 15 2HA GLY 15 -2.336 -2.619 -4.360
114 H VAL 16 H VAL 16 -3.821 -4.962 -4.017
115 HA VAL 16 HA VAL 16 -4.651 -5.537 -6.834
116 HB VAL 16 HB VAL 16 -4.593 -7.619 -4.593
117 1HG1 VAL 16 1HG1 VAL 16 -4.979 -7.869 -7.631
118 2HG1 VAL 16 2HG1 VAL 16 -4.973 -9.204 -6.490
119 3HG1 VAL 16 3HG1 VAL 16 -6.265 -8.024 -6.438
120 1HG2 VAL 16 1HG2 VAL 16 -2.296 -6.927 -5.380
121 2HG2 VAL 16 2HG2 VAL 16 -2.655 -8.576 -5.845
122 3HG2 VAL 16 3HG2 VAL 16 -2.754 -7.278 -7.024
123 H CYS 17 H CYS 17 -6.509 -4.680 -7.121
124 HA CYS 17 HA CYS 17 -8.576 -4.586 -4.979
125 1HB CYS 17 1HB CYS 17 -8.504 -3.158 -7.644
126 2HB CYS 17 2HB CYS 17 -9.593 -2.824 -6.331
127 HA PRO 18 HA PRO 18 -10.881 -7.877 -6.281
128 1HB PRO 18 1HB PRO 18 -13.383 -6.392 -6.803
129 2HB PRO 18 2HB PRO 18 -13.036 -7.631 -5.606
130 1HG PRO 18 1HG PRO 18 -13.231 -4.857 -5.123
131 2HG PRO 18 2HG PRO 18 -12.603 -6.059 -4.005
132 1HD PRO 18 1HD PRO 18 -11.125 -3.998 -5.416
133 2HD PRO 18 2HD PRO 18 -10.512 -5.166 -4.235
134 H ARG 19 H ARG 19 -11.649 -9.080 -7.939
135 HA ARG 19 HA ARG 19 -11.886 -9.816 -10.080
136 1HB ARG 19 1HB ARG 19 -13.555 -7.605 -9.884
137 2HB ARG 19 2HB ARG 19 -12.576 -7.124 -11.243
138 1HG ARG 19 1HG ARG 19 -14.604 -8.255 -12.021
139 2HG ARG 19 2HG ARG 19 -13.209 -9.223 -12.434
140 1HD ARG 19 1HD ARG 19 -14.737 -9.797 -9.879
141 2HD ARG 19 2HD ARG 19 -15.318 -10.423 -11.418
142 HE ARG 19 HE ARG 19 -12.660 -11.162 -11.393
143 1HH1 ARG 19 1HH1 ARG 19 -15.330 -11.562 -9.219
144 2HH1 ARG 19 2HH1 ARG 19 -14.736 -13.061 -8.590
145 1HH2 ARG 19 1HH2 ARG 19 -11.894 -13.055 -10.615
146 2HH2 ARG 19 2HH2 ARG 19 -12.761 -13.920 -9.390
147 H SER 20 H SER 20 -9.378 -8.877 -9.242
148 HA SER 20 HA SER 20 -8.090 -8.097 -11.833
149 1HB SER 20 1HB SER 20 -6.200 -7.269 -10.331
150 2HB SER 20 2HB SER 20 -7.716 -6.408 -10.022
151 HG SER 20 HG SER 20 -6.980 -7.152 -8.078
152 H GLU 21 H GLU 21 -8.401 -10.355 -12.298
153 HA GLU 21 HA GLU 21 -7.037 -12.398 -10.868
154 1HB GLU 21 1HB GLU 21 -8.305 -12.271 -13.634
155 2HB GLU 21 2HB GLU 21 -7.587 -13.738 -13.002
156 1HG GLU 21 1HG GLU 21 -10.044 -13.710 -12.611
157 2HG GLU 21 2HG GLU 21 -9.169 -13.743 -11.096
158 H GLU 22 H GLU 22 -5.014 -12.649 -10.852
159 HA GLU 22 HA GLU 22 -2.770 -12.869 -11.408
160 1HB GLU 22 1HB GLU 22 -4.050 -13.464 -13.825
161 2HB GLU 22 2HB GLU 22 -3.034 -12.124 -14.312
162 1HG GLU 22 1HG GLU 22 -1.053 -13.313 -13.330
163 2HG GLU 22 2HG GLU 22 -2.096 -14.655 -12.884
164 H LYS 23 H LYS 23 -2.042 -11.206 -10.316
165 HA LYS 23 HA LYS 23 -1.088 -8.852 -11.677
166 1HB LYS 23 1HB LYS 23 -3.419 -8.142 -11.246
167 2HB LYS 23 2HB LYS 23 -3.295 -8.617 -9.567
168 1HG LYS 23 1HG LYS 23 -1.602 -6.847 -9.155
169 2HG LYS 23 2HG LYS 23 -1.638 -6.394 -10.847
170 1HD LYS 23 1HD LYS 23 -4.063 -6.294 -8.998
171 2HD LYS 23 2HD LYS 23 -3.016 -4.923 -9.294
172 1HE LYS 23 1HE LYS 23 -3.567 -4.972 -11.699
173 2HE LYS 23 2HE LYS 23 -4.577 -6.391 -11.474
174 1HZ LYS 23 1HZ LYS 23 -5.920 -5.079 -9.910
175 2HZ LYS 23 2HZ LYS 23 -4.997 -3.708 -10.304
176 3HZ LYS 23 3HZ LYS 23 -5.937 -4.472 -11.495
177 H LYS 24 H LYS 24 -1.308 -10.967 -9.069
178 HA LYS 24 HA LYS 24 0.606 -9.577 -7.326
179 1HB LYS 24 1HB LYS 24 0.254 -12.137 -6.206
180 2HB LYS 24 2HB LYS 24 -0.695 -10.736 -5.814
181 1HG LYS 24 1HG LYS 24 -1.506 -12.573 -8.094
182 2HG LYS 24 2HG LYS 24 -1.955 -12.901 -6.438
183 1HD LYS 24 1HD LYS 24 -3.216 -10.861 -6.243
184 2HD LYS 24 2HD LYS 24 -2.628 -10.215 -7.753
185 1HE LYS 24 1HE LYS 24 -4.898 -11.107 -8.053
186 2HE LYS 24 2HE LYS 24 -3.771 -12.095 -8.969
187 1HZ LYS 24 1HZ LYS 24 -4.688 -12.754 -6.233
188 2HZ LYS 24 2HZ LYS 24 -5.415 -13.350 -7.647
189 3HZ LYS 24 3HZ LYS 24 -3.802 -13.743 -7.291
190 H ASN 25 H ASN 25 1.850 -9.730 -9.483
191 HA ASN 25 HA ASN 25 4.140 -11.424 -9.038
192 1HB ASN 25 1HB ASN 25 2.035 -12.243 -10.997
193 2HB ASN 25 2HB ASN 25 3.626 -12.172 -11.724
194 1HD2 ASN 25 1HD2 ASN 25 1.572 -14.041 -9.704
195 2HD2 ASN 25 2HD2 ASN 25 2.718 -15.209 -9.249
196 H ASP 26 H ASP 26 3.269 -8.638 -9.328
197 HA ASP 26 HA ASP 26 5.450 -7.666 -10.977
198 1HB ASP 26 1HB ASP 26 2.622 -7.643 -11.952
199 2HB ASP 26 2HB ASP 26 3.377 -6.064 -11.999
200 H ARG 27 H ARG 27 6.295 -6.231 -9.715
201 HA ARG 27 HA ARG 27 4.785 -4.943 -7.553
202 1HB ARG 27 1HB ARG 27 7.011 -5.697 -6.988
203 2HB ARG 27 2HB ARG 27 7.710 -4.951 -8.406
204 1HG ARG 27 1HG ARG 27 6.386 -2.909 -6.802
205 2HG ARG 27 2HG ARG 27 7.441 -3.836 -5.779
206 1HD ARG 27 1HD ARG 27 9.345 -3.310 -7.310
207 2HD ARG 27 2HD ARG 27 8.254 -2.426 -8.369
208 HE ARG 27 HE ARG 27 8.307 -0.645 -6.860
209 1HH1 ARG 27 1HH1 ARG 27 9.342 -3.554 -5.275
210 2HH1 ARG 27 2HH1 ARG 27 9.762 -2.736 -3.810
211 1HH2 ARG 27 1HH2 ARG 27 8.837 0.404 -5.014
212 2HH2 ARG 27 2HH2 ARG 27 9.475 -0.466 -3.658
213 H ILE 28 H ILE 28 3.364 -3.795 -8.700
214 HA ILE 28 HA ILE 28 3.863 -1.887 -10.730
215 HB ILE 28 HB ILE 28 1.494 -1.505 -8.942
216 1HG1 ILE 28 1HG1 ILE 28 1.650 -3.932 -10.844
217 2HG1 ILE 28 2HG1 ILE 28 1.697 -4.116 -9.109
218 1HG2 ILE 28 1HG2 ILE 28 1.748 -0.257 -11.064
219 2HG2 ILE 28 2HG2 ILE 28 1.860 -1.773 -11.939
220 3HG2 ILE 28 3HG2 ILE 28 0.360 -1.306 -11.154
221 1HD1 ILE 28 1HD1 ILE 28 -0.518 -3.123 -8.856
222 2HD1 ILE 28 2HD1 ILE 28 -0.671 -2.990 -10.602
223 3HD1 ILE 28 3HD1 ILE 28 -0.527 -4.565 -9.854
224 H CYS 29 H CYS 29 3.024 0.467 -10.242
225 HA CYS 29 HA CYS 29 4.538 1.544 -7.900
226 1HB CYS 29 1HB CYS 29 5.472 2.228 -10.055
227 2HB CYS 29 2HB CYS 29 3.908 2.775 -10.601
228 H THR 30 H THR 30 3.070 1.788 -6.365
229 HA THR 30 HA THR 30 0.969 3.782 -6.659
230 HB THR 30 HB THR 30 -0.204 1.781 -7.607
231 HG1 THR 30 HG1 THR 30 -1.041 3.296 -5.801
232 1HG2 THR 30 1HG2 THR 30 0.371 0.447 -4.899
233 2HG2 THR 30 2HG2 THR 30 -0.600 -0.227 -6.198
234 3HG2 THR 30 3HG2 THR 30 1.128 -0.019 -6.410
235 H ASN 31 H ASN 31 -0.365 3.770 -4.441
236 HA ASN 31 HA ASN 31 1.382 3.030 -2.167
237 1HB ASN 31 1HB ASN 31 1.054 5.407 -1.244
238 2HB ASN 31 2HB ASN 31 2.094 5.336 -2.647
239 1HD2 ASN 31 2HD2 ASN 31 -0.198 7.228 -1.425
240 2HD2 ASN 31 1HD2 ASN 31 -0.832 7.814 -2.887
241 H CYS 32 H CYS 32 0.346 2.772 -0.245
242 HA CYS 32 HA CYS 32 -2.197 1.693 -0.150
243 1HB CYS 32 1HB CYS 32 -0.790 1.366 1.738
244 2HB CYS 32 2HB CYS 32 -0.560 3.080 1.982
245 H CYS 33 H CYS 33 -1.354 5.063 0.436
246 HA CYS 33 HA CYS 33 -3.943 6.001 1.170
247 1HB CYS 33 1HB CYS 33 -1.832 7.244 1.482
248 2HB CYS 33 2HB CYS 33 -1.691 7.450 -0.238
249 H ALA 34 H ALA 34 -2.321 5.885 -1.988
250 HA ALA 34 HA ALA 34 -4.472 7.041 -3.491
251 1HB ALA 34 1HB ALA 34 -2.311 5.091 -4.398
252 2HB ALA 34 2HB ALA 34 -3.322 6.051 -5.468
253 3HB ALA 34 3HB ALA 34 -2.195 6.849 -4.389
254 H GLY 35 H GLY 35 -4.030 3.978 -2.102
255 1HA GLY 35 1HA GLY 35 -5.415 2.168 -3.608
256 2HA GLY 35 2HA GLY 35 -5.387 2.150 -1.863
257 H THR 36 H THR 36 -7.537 1.073 -2.736
258 HA THR 36 HA THR 36 -9.695 3.058 -2.313
259 HB THR 36 HB THR 36 -10.113 0.927 -4.355
260 HG1 THR 36 HG1 THR 36 -8.191 1.937 -4.982
261 1HG2 THR 36 1HG2 THR 36 -10.902 3.902 -4.274
262 2HG2 THR 36 2HG2 THR 36 -11.473 2.730 -5.450
263 3HG2 THR 36 3HG2 THR 36 -11.983 2.614 -3.782
264 H LYS 37 H LYS 37 -11.812 1.322 -2.574
265 HA LYS 37 HA LYS 37 -11.621 -0.279 -0.116
266 1HB LYS 37 1HB LYS 37 -14.076 -0.962 -1.491
267 2HB LYS 37 2HB LYS 37 -13.881 -0.014 -0.049
268 1HG LYS 37 1HG LYS 37 -15.126 1.359 -1.484
269 2HG LYS 37 2HG LYS 37 -13.510 2.017 -1.579
270 1HD LYS 37 1HD LYS 37 -13.113 0.718 -3.703
271 2HD LYS 37 2HD LYS 37 -14.732 0.068 -3.574
272 1HE LYS 37 1HE LYS 37 -15.717 2.299 -3.780
273 2HE LYS 37 2HE LYS 37 -14.128 3.049 -3.785
274 1HZ LYS 37 1HZ LYS 37 -15.111 1.108 -5.795
275 2HZ LYS 37 2HZ LYS 37 -15.038 2.792 -6.003
276 3HZ LYS 37 3HZ LYS 37 -13.607 1.897 -5.814
277 H GLY 38 H GLY 38 -11.802 -2.461 0.067
278 1HA GLY 38 1HA GLY 38 -11.677 -4.714 -0.532
279 2HA GLY 38 2HA GLY 38 -12.090 -4.265 -2.178
280 H CYS 39 H CYS 39 -9.667 -2.336 -2.028
281 HA CYS 39 HA CYS 39 -7.802 -4.063 -3.316
282 1HB CYS 39 1HB CYS 39 -7.327 -1.348 -2.112
283 2HB CYS 39 2HB CYS 39 -6.365 -2.127 -3.330
284 H LYS 40 H LYS 40 -5.708 -4.570 -2.713
285 HA LYS 40 HA LYS 40 -5.114 -4.642 0.209
286 1HB LYS 40 1HB LYS 40 -4.916 -7.010 -1.709
287 2HB LYS 40 2HB LYS 40 -4.388 -7.018 -0.033
288 1HG LYS 40 1HG LYS 40 -6.733 -6.494 0.686
289 2HG LYS 40 2HG LYS 40 -7.247 -6.554 -0.992
290 1HD LYS 40 1HD LYS 40 -6.485 -8.918 -1.153
291 2HD LYS 40 2HD LYS 40 -5.996 -8.873 0.533
292 1HE LYS 40 1HE LYS 40 -8.842 -8.431 -0.478
293 2HE LYS 40 2HE LYS 40 -8.248 -9.894 0.293
294 1HZ LYS 40 1HZ LYS 40 -7.617 -8.381 2.206
295 2HZ LYS 40 2HZ LYS 40 -8.622 -7.223 1.477
296 3HZ LYS 40 3HZ LYS 40 -9.267 -8.711 1.979
297 H TYR 41 H TYR 41 -3.444 -3.378 0.273
298 HA TYR 41 HA TYR 41 -1.328 -3.423 -1.748
299 1HB TYR 41 1HB TYR 41 -2.165 -1.537 0.460
300 2HB TYR 41 2HB TYR 41 -0.563 -1.428 -0.216
301 HD1 TYR 41 HD1 TYR 41 -4.071 -1.872 -1.616
302 HD2 TYR 41 HD2 TYR 41 -0.342 0.182 -1.832
303 HE1 TYR 41 HE1 TYR 41 -4.897 -0.539 -3.498
304 HE2 TYR 41 HE2 TYR 41 -1.174 1.496 -3.693
305 HH TYR 41 HH TYR 41 -4.419 1.004 -5.026
306 H PHE 42 H PHE 42 0.335 -4.693 -1.444
307 HA PHE 42 HA PHE 42 1.426 -5.187 1.262
308 1HB PHE 42 1HB PHE 42 2.170 -7.389 -0.380
309 2HB PHE 42 2HB PHE 42 1.027 -7.342 0.938
310 HD1 PHE 42 HD1 PHE 42 1.018 -6.335 -2.663
311 HD2 PHE 42 HD2 PHE 42 -1.036 -8.252 0.540
312 HE1 PHE 42 HE1 PHE 42 -0.828 -6.866 -4.148
313 HE2 PHE 42 HE2 PHE 42 -2.893 -8.789 -0.964
314 HZ PHE 42 HZ PHE 42 -2.799 -8.102 -3.314
315 H SER 43 H SER 43 3.576 -5.362 1.484
316 HA SER 43 HA SER 43 5.262 -3.826 -0.231
317 1HB SER 43 1HB SER 43 5.745 -5.514 2.225
318 2HB SER 43 2HB SER 43 6.927 -4.460 1.505
319 HG SER 43 HG SER 43 5.235 -2.795 1.634
320 H ASP 44 H ASP 44 7.523 -4.767 -0.328
321 HA ASP 44 HA ASP 44 7.446 -7.018 -2.251
322 1HB ASP 44 1HB ASP 44 8.840 -4.600 -2.228
323 2HB ASP 44 2HB ASP 44 10.078 -5.720 -1.696
324 H ASP 45 H ASP 45 8.190 -6.373 0.948
325 HA ASP 45 HA ASP 45 10.176 -8.416 1.445
326 1HB ASP 45 1HB ASP 45 9.977 -6.413 2.865
327 2HB ASP 45 2HB ASP 45 8.320 -6.814 3.263
328 H GLY 46 H GLY 46 7.058 -8.782 0.470
329 1HA GLY 46 1HA GLY 46 5.647 -10.563 0.449
330 2HA GLY 46 2HA GLY 46 6.902 -11.510 1.278
331 H THR 47 H THR 47 5.102 -8.584 2.076
332 HA THR 47 HA THR 47 3.691 -9.776 4.233
333 HB THR 47 HB THR 47 6.078 -9.064 4.853
334 HG1 THR 47 HG1 THR 47 4.286 -9.378 6.342
335 1HG2 THR 47 1HG2 THR 47 4.805 -6.274 4.876
336 2HG2 THR 47 2HG2 THR 47 6.380 -6.685 5.531
337 3HG2 THR 47 3HG2 THR 47 6.099 -6.801 3.805
338 H PHE 48 H PHE 48 1.925 -8.626 4.815
339 HA PHE 48 HA PHE 48 0.843 -6.812 2.845
340 1HB PHE 48 1HB PHE 48 -0.483 -8.620 3.795
341 2HB PHE 48 2HB PHE 48 -0.287 -7.959 5.408
342 HD1 PHE 48 HD1 PHE 48 -1.418 -6.812 2.010
343 HD2 PHE 48 HD2 PHE 48 -2.037 -6.662 6.225
344 HE1 PHE 48 HE1 PHE 48 -3.400 -5.419 1.671
345 HE2 PHE 48 HE2 PHE 48 -4.021 -5.264 5.879
346 HZ PHE 48 HZ PHE 48 -4.694 -4.648 3.608
347 H VAL 49 H VAL 49 0.342 -4.753 2.944
348 HA VAL 49 HA VAL 49 1.331 -3.154 5.265
349 HB VAL 49 HB VAL 49 0.727 -2.241 2.411
350 1HG1 VAL 49 1HG1 VAL 49 2.129 -0.812 4.713
351 2HG1 VAL 49 2HG1 VAL 49 1.945 -0.193 3.082
352 3HG1 VAL 49 3HG1 VAL 49 0.534 -0.408 4.097
353 1HG2 VAL 49 1HG2 VAL 49 2.641 -3.828 2.570
354 2HG2 VAL 49 2HG2 VAL 49 3.188 -2.213 2.185
355 3HG2 VAL 49 3HG2 VAL 49 3.357 -2.828 3.820
356 H CYS 50 H CYS 50 -1.360 -2.673 2.865
357 HA CYS 50 HA CYS 50 -3.267 -2.416 5.090
358 1HB CYS 50 1HB CYS 50 -3.602 -0.135 5.071
359 2HB CYS 50 2HB CYS 50 -1.951 -0.090 4.523
360 H GLU 51 H GLU 51 -5.506 -1.864 4.268
361 HA GLU 51 HA GLU 51 -5.925 -3.333 1.757
362 1HB GLU 51 1HB GLU 51 -8.268 -2.380 3.403
363 2HB GLU 51 2HB GLU 51 -7.969 -3.902 2.607
364 1HG GLU 51 1HG GLU 51 -6.510 -4.643 4.432
365 2HG GLU 51 2HG GLU 51 -6.660 -3.081 5.226
366 H GLY 52 H GLY 52 -4.947 -1.320 0.729
367 1HA GLY 52 1HA GLY 52 -5.228 0.511 -0.677
368 2HA GLY 52 2HA GLY 52 -6.932 0.103 -0.704
369 H GLU 53 H GLU 53 -8.000 1.960 -0.302
370 HA GLU 53 HA GLU 53 -7.463 3.326 2.257
371 1HB GLU 53 1HB GLU 53 -6.011 4.466 0.545
372 2HB GLU 53 2HB GLU 53 -7.447 4.875 -0.365
373 1HG GLU 53 1HG GLU 53 -6.682 6.776 1.059
374 2HG GLU 53 2HG GLU 53 -8.292 6.256 1.503
375 H SER 54 H SER 54 -9.629 3.059 -0.558
376 HA SER 54 HA SER 54 -11.677 4.639 0.881
377 1HB SER 54 1HB SER 54 -11.780 3.200 -1.803
378 2HB SER 54 2HB SER 54 -13.012 4.313 -1.194
379 HG SER 54 HG SER 54 -10.442 4.807 -2.087
Start of MODEL 14
1 1H MET 1 1H MET 1 -10.688 11.208 -4.093
2 2H MET 1 2H MET 1 -10.726 12.856 -4.503
3 3H MET 1 3H MET 1 -9.418 12.230 -3.618
4 HA MET 1 HA MET 1 -10.810 13.420 -2.139
5 1HB MET 1 1HB MET 1 -12.901 12.385 -3.800
6 2HB MET 1 2HB MET 1 -13.178 11.668 -2.228
7 1HG MET 1 1HG MET 1 -13.025 13.945 -1.208
8 2HG MET 1 2HG MET 1 -12.834 14.620 -2.801
9 1HE MET 1 1HE MET 1 -15.187 12.199 -0.817
10 2HE MET 1 2HE MET 1 -15.191 13.782 0.000
11 3HE MET 1 3HE MET 1 -16.639 13.179 -0.787
12 H LYS 2 H LYS 2 -10.498 12.804 -0.123
13 HA LYS 2 HA LYS 2 -9.708 11.520 1.641
14 1HB LYS 2 1HB LYS 2 -11.875 9.621 0.560
15 2HB LYS 2 2HB LYS 2 -11.201 9.569 2.180
16 1HG LYS 2 1HG LYS 2 -12.073 11.840 2.650
17 2HG LYS 2 2HG LYS 2 -12.680 11.972 1.012
18 1HD LYS 2 1HD LYS 2 -14.533 11.385 2.476
19 2HD LYS 2 2HD LYS 2 -14.199 10.026 1.424
20 1HE LYS 2 1HE LYS 2 -12.946 8.897 3.257
21 2HE LYS 2 2HE LYS 2 -13.218 10.284 4.304
22 1HZ LYS 2 1HZ LYS 2 -15.594 9.909 4.100
23 2HZ LYS 2 2HZ LYS 2 -15.307 8.554 3.115
24 3HZ LYS 2 3HZ LYS 2 -14.799 8.548 4.735
25 H ALA 3 H ALA 3 -7.937 11.382 -0.090
26 HA ALA 3 HA ALA 3 -6.578 8.994 0.300
27 1HB ALA 3 1HB ALA 3 -7.672 9.396 -2.537
28 2HB ALA 3 2HB ALA 3 -6.483 8.177 -2.129
29 3HB ALA 3 3HB ALA 3 -8.102 8.068 -1.475
30 H CYS 4 H CYS 4 -4.464 9.083 -0.275
31 HA CYS 4 HA CYS 4 -3.236 11.628 -0.523
32 1HB CYS 4 1HB CYS 4 -2.405 8.789 -0.468
33 2HB CYS 4 2HB CYS 4 -1.244 9.846 -1.198
34 H THR 5 H THR 5 -1.214 11.566 -2.215
35 HA THR 5 HA THR 5 -2.260 12.420 -4.694
36 HB THR 5 HB THR 5 0.651 11.736 -3.966
37 HG1 THR 5 HG1 THR 5 -0.360 13.011 -2.407
38 1HG2 THR 5 1HG2 THR 5 -0.609 13.966 -5.643
39 2HG2 THR 5 2HG2 THR 5 1.113 13.678 -5.410
40 3HG2 THR 5 3HG2 THR 5 0.156 12.558 -6.369
41 H LEU 6 H LEU 6 -2.131 9.326 -3.746
42 HA LEU 6 HA LEU 6 -2.354 7.295 -4.809
43 1HB LEU 6 1HB LEU 6 -2.189 8.725 -7.490
44 2HB LEU 6 2HB LEU 6 -2.979 7.212 -7.115
45 HG LEU 6 HG LEU 6 -3.905 9.977 -6.215
46 1HD1 LEU 6 1HD1 LEU 6 -4.357 9.481 -8.584
47 2HD1 LEU 6 2HD1 LEU 6 -5.130 7.967 -8.139
48 3HD1 LEU 6 3HD1 LEU 6 -5.852 9.497 -7.666
49 1HD2 LEU 6 1HD2 LEU 6 -5.161 7.262 -5.632
50 2HD2 LEU 6 2HD2 LEU 6 -4.411 8.334 -4.454
51 3HD2 LEU 6 3HD2 LEU 6 -5.882 8.823 -5.264
52 H ASN 7 H ASN 7 0.344 9.174 -5.069
53 HA ASN 7 HA ASN 7 2.000 8.017 -6.904
54 1HB ASN 7 1HB ASN 7 2.677 9.178 -4.178
55 2HB ASN 7 2HB ASN 7 3.849 8.919 -5.460
56 1HD2 ASN 7 2HD2 ASN 7 3.511 11.490 -4.507
57 2HD2 ASN 7 1HD2 ASN 7 2.724 12.448 -5.667
58 H CYS 8 H CYS 8 4.016 6.873 -6.385
59 HA CYS 8 HA CYS 8 3.390 4.233 -5.270
60 1HB CYS 8 1HB CYS 8 6.190 4.683 -6.025
61 2HB CYS 8 2HB CYS 8 5.079 3.470 -6.562
62 H ASP 9 H ASP 9 3.920 3.530 -3.326
63 HA ASP 9 HA ASP 9 5.491 5.278 -1.512
64 1HB ASP 9 1HB ASP 9 3.251 4.468 -0.796
65 2HB ASP 9 2HB ASP 9 3.795 2.814 -0.934
66 HA PRO 10 HA PRO 10 8.885 2.765 -2.919
67 1HB PRO 10 1HB PRO 10 10.548 3.509 -0.642
68 2HB PRO 10 2HB PRO 10 10.686 4.003 -2.321
69 1HG PRO 10 1HG PRO 10 9.687 5.539 -0.109
70 2HG PRO 10 2HG PRO 10 9.832 6.040 -1.787
71 1HD PRO 10 1HD PRO 10 7.418 5.480 -0.349
72 2HD PRO 10 2HD PRO 10 7.568 5.881 -2.066
73 H ARG 11 H ARG 11 7.830 2.497 0.359
74 HA ARG 11 HA ARG 11 9.213 -0.014 0.890
75 1HB ARG 11 1HB ARG 11 7.697 -0.018 2.937
76 2HB ARG 11 2HB ARG 11 8.799 1.329 2.789
77 1HG ARG 11 1HG ARG 11 7.154 2.871 2.276
78 2HG ARG 11 2HG ARG 11 6.051 1.689 1.597
79 1HD ARG 11 1HD ARG 11 6.727 1.965 4.553
80 2HD ARG 11 2HD ARG 11 5.231 2.501 3.778
81 HE ARG 11 HE ARG 11 5.558 -0.165 3.029
82 1HH1 ARG 11 1HH1 ARG 11 5.202 1.635 5.969
83 2HH1 ARG 11 2HH1 ARG 11 4.439 0.333 6.817
84 1HH2 ARG 11 1HH2 ARG 11 4.597 -1.832 4.082
85 2HH2 ARG 11 2HH2 ARG 11 4.084 -1.668 5.729
86 H ILE 12 H ILE 12 6.049 0.937 -0.257
87 HA ILE 12 HA ILE 12 4.876 -1.722 -0.014
88 HB ILE 12 HB ILE 12 3.910 0.761 -1.442
89 1HG1 ILE 12 1HG1 ILE 12 3.318 -0.610 1.229
90 2HG1 ILE 12 2HG1 ILE 12 4.108 0.926 1.023
91 1HG2 ILE 12 1HG2 ILE 12 2.936 -1.334 -2.470
92 2HG2 ILE 12 2HG2 ILE 12 2.443 -1.877 -0.874
93 3HG2 ILE 12 3HG2 ILE 12 1.720 -0.447 -1.592
94 1HD1 ILE 12 1HD1 ILE 12 2.036 1.847 0.056
95 2HD1 ILE 12 2HD1 ILE 12 1.231 0.300 0.315
96 3HD1 ILE 12 3HD1 ILE 12 1.794 1.238 1.689
97 H ALA 13 H ALA 13 4.532 -3.158 -1.717
98 HA ALA 13 HA ALA 13 6.358 -2.894 -4.046
99 1HB ALA 13 1HB ALA 13 4.725 -5.275 -3.067
100 2HB ALA 13 2HB ALA 13 5.883 -5.308 -4.385
101 3HB ALA 13 3HB ALA 13 6.430 -4.992 -2.756
102 H TYR 14 H TYR 14 3.059 -3.997 -3.418
103 HA TYR 14 HA TYR 14 1.947 -2.362 -5.548
104 1HB TYR 14 1HB TYR 14 1.229 -4.297 -7.009
105 2HB TYR 14 2HB TYR 14 2.966 -4.105 -6.971
106 HD1 TYR 14 HD1 TYR 14 0.158 -6.207 -5.851
107 HD2 TYR 14 HD2 TYR 14 4.389 -5.758 -5.920
108 HE1 TYR 14 HE1 TYR 14 0.418 -8.532 -5.143
109 HE2 TYR 14 HE2 TYR 14 4.648 -8.083 -5.212
110 HH TYR 14 HH TYR 14 2.508 -10.339 -5.483
111 H GLY 15 H GLY 15 -0.316 -3.687 -6.129
112 1HA GLY 15 1HA GLY 15 -1.602 -4.727 -3.741
113 2HA GLY 15 2HA GLY 15 -2.105 -3.089 -4.144
114 H VAL 16 H VAL 16 -3.719 -5.370 -4.063
115 HA VAL 16 HA VAL 16 -4.588 -5.578 -6.937
116 HB VAL 16 HB VAL 16 -5.108 -7.700 -4.812
117 1HG1 VAL 16 1HG1 VAL 16 -5.193 -7.752 -7.875
118 2HG1 VAL 16 2HG1 VAL 16 -5.557 -9.113 -6.826
119 3HG1 VAL 16 3HG1 VAL 16 -6.604 -7.708 -6.830
120 1HG2 VAL 16 1HG2 VAL 16 -2.651 -7.469 -5.196
121 2HG2 VAL 16 2HG2 VAL 16 -3.267 -8.987 -5.798
122 3HG2 VAL 16 3HG2 VAL 16 -2.900 -7.676 -6.916
123 H CYS 17 H CYS 17 -6.742 -5.435 -7.340
124 HA CYS 17 HA CYS 17 -8.586 -4.772 -5.092
125 1HB CYS 17 1HB CYS 17 -8.490 -3.241 -7.726
126 2HB CYS 17 2HB CYS 17 -9.377 -2.813 -6.300
127 HA PRO 18 HA PRO 18 -11.572 -7.321 -7.266
128 1HB PRO 18 1HB PRO 18 -13.329 -5.044 -8.044
129 2HB PRO 18 2HB PRO 18 -13.708 -6.495 -7.123
130 1HG PRO 18 1HG PRO 18 -13.410 -4.030 -5.964
131 2HG PRO 18 2HG PRO 18 -13.064 -5.530 -5.111
132 1HD PRO 18 1HD PRO 18 -11.191 -3.526 -6.241
133 2HD PRO 18 2HD PRO 18 -10.919 -4.642 -4.884
134 H ARG 19 H ARG 19 -12.870 -7.490 -9.365
135 HA ARG 19 HA ARG 19 -12.604 -8.051 -11.618
136 1HB ARG 19 1HB ARG 19 -12.271 -5.723 -13.002
137 2HB ARG 19 2HB ARG 19 -13.763 -6.168 -12.226
138 1HG ARG 19 1HG ARG 19 -13.242 -4.751 -10.276
139 2HG ARG 19 2HG ARG 19 -11.682 -4.339 -10.980
140 1HD ARG 19 1HD ARG 19 -13.248 -2.557 -11.401
141 2HD ARG 19 2HD ARG 19 -12.802 -3.315 -12.921
142 HE ARG 19 HE ARG 19 -15.423 -3.557 -11.523
143 1HH1 ARG 19 1HH1 ARG 19 -13.424 -4.345 -14.260
144 2HH1 ARG 19 2HH1 ARG 19 -14.769 -4.874 -15.210
145 1HH2 ARG 19 1HH2 ARG 19 -17.112 -4.228 -12.716
146 2HH2 ARG 19 2HH2 ARG 19 -16.876 -4.813 -14.330
147 H SER 20 H SER 20 -10.340 -8.454 -10.237
148 HA SER 20 HA SER 20 -8.043 -8.787 -10.308
149 1HB SER 20 1HB SER 20 -7.323 -9.819 -12.508
150 2HB SER 20 2HB SER 20 -8.903 -10.420 -11.997
151 HG SER 20 HG SER 20 -9.884 -9.015 -13.382
152 H GLU 21 H GLU 21 -7.901 -6.423 -9.862
153 HA GLU 21 HA GLU 21 -6.964 -4.656 -11.892
154 1HB GLU 21 1HB GLU 21 -8.201 -3.865 -9.959
155 2HB GLU 21 2HB GLU 21 -7.033 -4.553 -8.863
156 1HG GLU 21 1HG GLU 21 -6.257 -2.366 -10.828
157 2HG GLU 21 2HG GLU 21 -6.969 -1.975 -9.276
158 H GLU 22 H GLU 22 -5.204 -5.438 -12.868
159 HA GLU 22 HA GLU 22 -3.018 -5.950 -13.336
160 1HB GLU 22 1HB GLU 22 -2.981 -3.762 -11.694
161 2HB GLU 22 2HB GLU 22 -1.959 -4.835 -10.768
162 1HG GLU 22 1HG GLU 22 -1.540 -4.182 -13.727
163 2HG GLU 22 2HG GLU 22 -0.749 -3.322 -12.422
164 H LYS 23 H LYS 23 -1.514 -7.488 -13.142
165 HA LYS 23 HA LYS 23 -2.050 -9.758 -11.523
166 1HB LYS 23 1HB LYS 23 0.116 -8.855 -13.407
167 2HB LYS 23 2HB LYS 23 0.584 -10.133 -12.306
168 1HG LYS 23 1HG LYS 23 -1.989 -10.388 -13.882
169 2HG LYS 23 2HG LYS 23 -0.468 -10.656 -14.691
170 1HD LYS 23 1HD LYS 23 -1.356 -12.797 -13.910
171 2HD LYS 23 2HD LYS 23 0.133 -12.431 -13.074
172 1HE LYS 23 1HE LYS 23 -1.562 -13.350 -11.536
173 2HE LYS 23 2HE LYS 23 -1.151 -11.713 -11.071
174 1HZ LYS 23 1HZ LYS 23 -3.224 -11.441 -12.843
175 2HZ LYS 23 2HZ LYS 23 -3.641 -12.798 -11.912
176 3HZ LYS 23 3HZ LYS 23 -3.313 -11.318 -11.151
177 H LYS 24 H LYS 24 -1.006 -10.511 -9.656
178 HA LYS 24 HA LYS 24 0.103 -8.375 -7.946
179 1HB LYS 24 1HB LYS 24 0.048 -10.671 -6.334
180 2HB LYS 24 2HB LYS 24 -1.236 -9.522 -6.481
181 1HG LYS 24 1HG LYS 24 -1.075 -11.973 -8.258
182 2HG LYS 24 2HG LYS 24 -1.861 -11.991 -6.698
183 1HD LYS 24 1HD LYS 24 -3.387 -10.113 -7.517
184 2HD LYS 24 2HD LYS 24 -2.727 -10.312 -9.120
185 1HE LYS 24 1HE LYS 24 -4.164 -12.450 -7.513
186 2HE LYS 24 2HE LYS 24 -4.784 -11.604 -8.922
187 1HZ LYS 24 1HZ LYS 24 -2.315 -12.696 -9.602
188 2HZ LYS 24 2HZ LYS 24 -3.218 -13.909 -8.830
189 3HZ LYS 24 3HZ LYS 24 -3.853 -13.112 -10.189
190 H ASN 25 H ASN 25 1.892 -8.584 -9.716
191 HA ASN 25 HA ASN 25 4.246 -9.501 -8.369
192 1HB ASN 25 1HB ASN 25 2.894 -11.370 -10.228
193 2HB ASN 25 2HB ASN 25 4.554 -11.115 -10.691
194 1HD2 ASN 25 2HD2 ASN 25 2.624 -13.035 -8.781
195 2HD2 ASN 25 1HD2 ASN 25 3.783 -13.559 -7.655
196 H ASP 26 H ASP 26 3.244 -7.087 -9.826
197 HA ASP 26 HA ASP 26 5.699 -6.741 -11.484
198 1HB ASP 26 1HB ASP 26 3.169 -5.556 -12.640
199 2HB ASP 26 2HB ASP 26 4.573 -6.196 -13.468
200 H ARG 27 H ARG 27 5.312 -5.827 -9.021
201 HA ARG 27 HA ARG 27 4.987 -3.901 -7.653
202 1HB ARG 27 1HB ARG 27 7.333 -4.205 -7.890
203 2HB ARG 27 2HB ARG 27 7.346 -3.606 -9.530
204 1HG ARG 27 1HG ARG 27 6.377 -1.525 -7.666
205 2HG ARG 27 2HG ARG 27 7.920 -2.157 -7.156
206 1HD ARG 27 1HD ARG 27 8.962 -1.608 -9.276
207 2HD ARG 27 2HD ARG 27 7.421 -1.154 -9.991
208 HE ARG 27 HE ARG 27 8.077 0.320 -7.551
209 1HH1 ARG 27 1HH1 ARG 27 8.387 0.169 -11.004
210 2HH1 ARG 27 2HH1 ARG 27 8.665 1.870 -11.161
211 1HH2 ARG 27 1HH2 ARG 27 8.427 2.469 -7.732
212 2HH2 ARG 27 2HH2 ARG 27 8.691 3.192 -9.284
213 H ILE 28 H ILE 28 2.913 -2.930 -8.263
214 HA ILE 28 HA ILE 28 2.770 -1.038 -10.401
215 HB ILE 28 HB ILE 28 0.802 -1.099 -8.152
216 1HG1 ILE 28 1HG1 ILE 28 0.720 -3.144 -10.438
217 2HG1 ILE 28 2HG1 ILE 28 1.429 -3.643 -8.937
218 1HG2 ILE 28 1HG2 ILE 28 0.536 -0.953 -11.154
219 2HG2 ILE 28 2HG2 ILE 28 -0.812 -0.885 -10.026
220 3HG2 ILE 28 3HG2 ILE 28 0.370 0.392 -10.037
221 1HD1 ILE 28 1HD1 ILE 28 -0.726 -3.076 -7.786
222 2HD1 ILE 28 2HD1 ILE 28 -1.445 -2.753 -9.351
223 3HD1 ILE 28 3HD1 ILE 28 -0.872 -4.364 -8.966
224 H CYS 29 H CYS 29 1.775 1.155 -9.639
225 HA CYS 29 HA CYS 29 3.584 2.364 -7.589
226 1HB CYS 29 1HB CYS 29 3.959 3.283 -9.817
227 2HB CYS 29 2HB CYS 29 2.251 3.576 -10.034
228 H THR 30 H THR 30 2.359 2.110 -5.817
229 HA THR 30 HA THR 30 0.017 3.859 -5.556
230 HB THR 30 HB THR 30 -0.998 1.715 -6.391
231 HG1 THR 30 HG1 THR 30 -1.341 2.081 -3.605
232 1HG2 THR 30 1HG2 THR 30 0.158 0.459 -3.834
233 2HG2 THR 30 2HG2 THR 30 -0.885 -0.330 -5.005
234 3HG2 THR 30 3HG2 THR 30 0.754 0.103 -5.449
235 H ASN 31 H ASN 31 -0.774 3.891 -3.336
236 HA ASN 31 HA ASN 31 1.212 3.200 -1.250
237 1HB ASN 31 1HB ASN 31 1.035 5.563 -0.345
238 2HB ASN 31 2HB ASN 31 1.814 5.505 -1.911
239 1HD2 ASN 31 2HD2 ASN 31 -0.008 7.543 -0.414
240 2HD2 ASN 31 1HD2 ASN 31 -1.036 8.024 -1.675
241 H CYS 32 H CYS 32 0.340 2.739 0.704
242 HA CYS 32 HA CYS 32 -2.331 1.921 0.955
243 1HB CYS 32 1HB CYS 32 -0.766 1.082 2.534
244 2HB CYS 32 2HB CYS 32 -0.269 2.681 3.027
245 H CYS 33 H CYS 33 -0.950 5.056 1.836
246 HA CYS 33 HA CYS 33 -3.196 6.128 3.191
247 1HB CYS 33 1HB CYS 33 -1.131 7.325 3.265
248 2HB CYS 33 2HB CYS 33 -1.039 7.430 1.526
249 H ALA 34 H ALA 34 -2.482 5.944 -0.239
250 HA ALA 34 HA ALA 34 -4.752 7.546 -1.074
251 1HB ALA 34 1HB ALA 34 -3.054 5.544 -2.619
252 2HB ALA 34 2HB ALA 34 -4.215 6.641 -3.332
253 3HB ALA 34 3HB ALA 34 -2.789 7.281 -2.530
254 H GLY 35 H GLY 35 -4.097 4.137 -1.697
255 1HA GLY 35 1HA GLY 35 -5.433 2.261 -1.734
256 2HA GLY 35 2HA GLY 35 -6.373 3.083 -0.516
257 H THR 36 H THR 36 -7.495 1.371 -2.435
258 HA THR 36 HA THR 36 -9.358 3.214 -3.754
259 HB THR 36 HB THR 36 -8.370 0.887 -5.396
260 HG1 THR 36 HG1 THR 36 -7.148 3.425 -5.000
261 1HG2 THR 36 1HG2 THR 36 -9.099 3.778 -6.121
262 2HG2 THR 36 2HG2 THR 36 -8.810 2.478 -7.263
263 3HG2 THR 36 3HG2 THR 36 -10.235 2.451 -6.247
264 H LYS 37 H LYS 37 -11.050 1.612 -4.898
265 HA LYS 37 HA LYS 37 -12.763 0.518 -3.135
266 1HB LYS 37 1HB LYS 37 -12.453 -1.151 -5.625
267 2HB LYS 37 2HB LYS 37 -13.897 -0.502 -4.890
268 1HG LYS 37 1HG LYS 37 -11.835 1.076 -6.493
269 2HG LYS 37 2HG LYS 37 -13.409 0.564 -7.047
270 1HD LYS 37 1HD LYS 37 -14.548 1.948 -5.373
271 2HD LYS 37 2HD LYS 37 -13.020 2.415 -4.660
272 1HE LYS 37 1HE LYS 37 -13.844 4.200 -6.155
273 2HE LYS 37 2HE LYS 37 -12.362 3.519 -6.806
274 1HZ LYS 37 1HZ LYS 37 -15.044 2.587 -7.626
275 2HZ LYS 37 2HZ LYS 37 -14.220 3.845 -8.415
276 3HZ LYS 37 3HZ LYS 37 -13.554 2.283 -8.381
277 H GLY 38 H GLY 38 -12.150 -0.576 -1.426
278 1HA GLY 38 1HA GLY 38 -11.281 -2.242 -0.036
279 2HA GLY 38 2HA GLY 38 -12.288 -3.242 -1.063
280 H CYS 39 H CYS 39 -9.298 -1.619 -1.913
281 HA CYS 39 HA CYS 39 -8.156 -3.981 -3.100
282 1HB CYS 39 1HB CYS 39 -6.820 -1.386 -2.358
283 2HB CYS 39 2HB CYS 39 -6.243 -2.579 -3.481
284 H LYS 40 H LYS 40 -5.816 -4.413 -2.604
285 HA LYS 40 HA LYS 40 -5.209 -4.631 0.298
286 1HB LYS 40 1HB LYS 40 -4.531 -7.083 -0.171
287 2HB LYS 40 2HB LYS 40 -6.245 -6.742 -0.088
288 1HG LYS 40 1HG LYS 40 -6.420 -6.737 -2.539
289 2HG LYS 40 2HG LYS 40 -4.692 -6.929 -2.723
290 1HD LYS 40 1HD LYS 40 -5.746 -9.094 -3.047
291 2HD LYS 40 2HD LYS 40 -4.881 -9.154 -1.527
292 1HE LYS 40 1HE LYS 40 -6.999 -8.751 -0.285
293 2HE LYS 40 2HE LYS 40 -7.873 -8.629 -1.807
294 1HZ LYS 40 1HZ LYS 40 -7.234 -10.895 -2.307
295 2HZ LYS 40 2HZ LYS 40 -6.392 -11.003 -0.835
296 3HZ LYS 40 3HZ LYS 40 -8.079 -10.807 -0.836
297 H TYR 41 H TYR 41 -3.495 -3.313 0.248
298 HA TYR 41 HA TYR 41 -1.428 -3.552 -1.816
299 1HB TYR 41 1HB TYR 41 -1.912 -1.555 0.419
300 2HB TYR 41 2HB TYR 41 -0.589 -1.484 -0.703
301 HD1 TYR 41 HD1 TYR 41 -3.420 -2.617 -2.597
302 HD2 TYR 41 HD2 TYR 41 -1.769 0.861 -0.772
303 HE1 TYR 41 HE1 TYR 41 -4.743 -1.209 -4.072
304 HE2 TYR 41 HE2 TYR 41 -3.119 2.260 -2.257
305 HH TYR 41 HH TYR 41 -5.657 1.491 -3.715
306 H PHE 42 H PHE 42 0.339 -4.664 -1.478
307 HA PHE 42 HA PHE 42 1.335 -5.223 1.243
308 1HB PHE 42 1HB PHE 42 2.228 -7.229 -0.632
309 2HB PHE 42 2HB PHE 42 1.243 -7.376 0.793
310 HD1 PHE 42 HD1 PHE 42 0.876 -6.330 -2.767
311 HD2 PHE 42 HD2 PHE 42 -0.897 -8.240 0.603
312 HE1 PHE 42 HE1 PHE 42 -1.048 -6.959 -4.127
313 HE2 PHE 42 HE2 PHE 42 -2.826 -8.870 -0.764
314 HZ PHE 42 HZ PHE 42 -2.912 -8.235 -3.137
315 H SER 43 H SER 43 3.507 -5.304 1.562
316 HA SER 43 HA SER 43 5.175 -3.631 -0.065
317 1HB SER 43 1HB SER 43 5.499 -5.203 2.478
318 2HB SER 43 2HB SER 43 6.816 -4.316 1.775
319 HG SER 43 HG SER 43 5.497 -2.457 1.763
320 H ASP 44 H ASP 44 7.485 -4.486 0.034
321 HA ASP 44 HA ASP 44 7.614 -6.665 -1.965
322 1HB ASP 44 1HB ASP 44 8.879 -4.203 -1.808
323 2HB ASP 44 2HB ASP 44 10.148 -5.274 -1.250
324 H ASP 45 H ASP 45 8.359 -6.228 1.344
325 HA ASP 45 HA ASP 45 10.368 -8.345 1.494
326 1HB ASP 45 1HB ASP 45 10.299 -7.969 3.895
327 2HB ASP 45 2HB ASP 45 10.214 -6.399 3.121
328 H GLY 46 H GLY 46 7.293 -8.627 0.657
329 1HA GLY 46 1HA GLY 46 5.869 -10.386 0.533
330 2HA GLY 46 2HA GLY 46 7.059 -11.371 1.400
331 H THR 47 H THR 47 5.124 -8.480 2.100
332 HA THR 47 HA THR 47 3.701 -9.756 4.217
333 HB THR 47 HB THR 47 5.587 -7.403 4.689
334 HG1 THR 47 HG1 THR 47 6.672 -9.302 4.720
335 1HG2 THR 47 1HG2 THR 47 3.842 -8.943 6.717
336 2HG2 THR 47 2HG2 THR 47 4.934 -7.626 7.113
337 3HG2 THR 47 3HG2 THR 47 3.479 -7.309 6.185
338 H PHE 48 H PHE 48 1.789 -8.840 4.583
339 HA PHE 48 HA PHE 48 0.751 -6.958 2.660
340 1HB PHE 48 1HB PHE 48 -0.612 -8.812 3.531
341 2HB PHE 48 2HB PHE 48 -0.461 -8.189 5.162
342 HD1 PHE 48 HD1 PHE 48 -1.315 -6.529 1.873
343 HD2 PHE 48 HD2 PHE 48 -2.527 -7.379 5.872
344 HE1 PHE 48 HE1 PHE 48 -3.332 -5.186 1.555
345 HE2 PHE 48 HE2 PHE 48 -4.543 -6.029 5.541
346 HZ PHE 48 HZ PHE 48 -4.953 -4.933 3.385
347 H VAL 49 H VAL 49 0.197 -4.871 2.885
348 HA VAL 49 HA VAL 49 1.215 -3.454 5.314
349 HB VAL 49 HB VAL 49 0.537 -2.330 2.553
350 1HG1 VAL 49 1HG1 VAL 49 1.991 -1.087 4.928
351 2HG1 VAL 49 2HG1 VAL 49 1.779 -0.338 3.355
352 3HG1 VAL 49 3HG1 VAL 49 0.387 -0.642 4.375
353 1HG2 VAL 49 1HG2 VAL 49 3.193 -3.060 3.829
354 2HG2 VAL 49 2HG2 VAL 49 2.432 -3.919 2.511
355 3HG2 VAL 49 3HG2 VAL 49 2.991 -2.282 2.265
356 H CYS 50 H CYS 50 -1.453 -2.817 2.945
357 HA CYS 50 HA CYS 50 -3.429 -2.982 5.072
358 1HB CYS 50 1HB CYS 50 -3.790 -0.797 5.635
359 2HB CYS 50 2HB CYS 50 -2.118 -0.607 5.212
360 H GLU 51 H GLU 51 -5.562 -2.257 4.320
361 HA GLU 51 HA GLU 51 -5.854 -2.994 1.480
362 1HB GLU 51 1HB GLU 51 -7.369 -4.303 2.651
363 2HB GLU 51 2HB GLU 51 -7.558 -3.142 3.944
364 1HG GLU 51 1HG GLU 51 -9.208 -1.902 2.793
365 2HG GLU 51 2HG GLU 51 -8.814 -2.540 1.221
366 H GLY 52 H GLY 52 -6.464 -1.648 -0.041
367 1HA GLY 52 1HA GLY 52 -6.466 1.166 0.330
368 2HA GLY 52 2HA GLY 52 -6.951 0.339 -1.145
369 H GLU 53 H GLU 53 -8.380 2.579 -0.576
370 HA GLU 53 HA GLU 53 -11.064 1.762 -0.451
371 1HB GLU 53 1HB GLU 53 -10.502 1.372 2.044
372 2HB GLU 53 2HB GLU 53 -10.097 3.068 2.161
373 1HG GLU 53 1HG GLU 53 -12.463 3.639 1.483
374 2HG GLU 53 2HG GLU 53 -12.820 1.925 1.376
375 H SER 54 H SER 54 -10.303 3.105 -2.226
376 HA SER 54 HA SER 54 -9.520 5.583 -2.669
377 1HB SER 54 1HB SER 54 -11.455 5.990 -4.298
378 2HB SER 54 2HB SER 54 -10.708 4.412 -4.499
379 HG SER 54 HG SER 54 -13.078 5.103 -3.157
Start of MODEL 15
1 1H MET 1 1H MET 1 -5.665 9.777 3.730
2 2H MET 1 2H MET 1 -5.877 8.269 2.975
3 3H MET 1 3H MET 1 -4.598 9.282 2.505
4 HA MET 1 HA MET 1 -6.204 9.504 0.838
5 1HB MET 1 1HB MET 1 -8.596 10.003 1.386
6 2HB MET 1 2HB MET 1 -8.087 8.486 2.092
7 1HG MET 1 1HG MET 1 -7.720 9.574 4.261
8 2HG MET 1 2HG MET 1 -8.148 11.124 3.594
9 1HE MET 1 1HE MET 1 -10.586 11.346 2.282
10 2HE MET 1 2HE MET 1 -11.843 11.289 3.501
11 3HE MET 1 3HE MET 1 -10.365 12.174 3.843
12 H LYS 2 H LYS 2 -7.698 11.596 0.441
13 HA LYS 2 HA LYS 2 -7.628 13.798 -0.035
14 1HB LYS 2 1HB LYS 2 -8.514 13.572 2.364
15 2HB LYS 2 2HB LYS 2 -6.947 14.146 2.906
16 1HG LYS 2 1HG LYS 2 -7.199 16.191 1.575
17 2HG LYS 2 2HG LYS 2 -8.704 15.592 0.897
18 1HD LYS 2 1HD LYS 2 -9.592 15.474 3.311
19 2HD LYS 2 2HD LYS 2 -8.152 16.371 3.783
20 1HE LYS 2 1HE LYS 2 -8.730 18.108 2.082
21 2HE LYS 2 2HE LYS 2 -10.199 17.206 1.718
22 1HZ LYS 2 1HZ LYS 2 -10.922 17.496 3.992
23 2HZ LYS 2 2HZ LYS 2 -9.505 18.355 4.364
24 3HZ LYS 2 3HZ LYS 2 -10.628 19.005 3.268
25 H ALA 3 H ALA 3 -6.005 14.174 -1.367
26 HA ALA 3 HA ALA 3 -3.965 14.865 -2.220
27 1HB ALA 3 1HB ALA 3 -4.808 16.968 -1.243
28 2HB ALA 3 2HB ALA 3 -4.089 16.574 0.310
29 3HB ALA 3 3HB ALA 3 -3.061 16.905 -1.077
30 H CYS 4 H CYS 4 -3.207 12.646 -1.693
31 HA CYS 4 HA CYS 4 -1.161 12.474 0.430
32 1HB CYS 4 1HB CYS 4 -2.382 10.468 -1.453
33 2HB CYS 4 2HB CYS 4 -1.173 10.086 -0.271
34 H THR 5 H THR 5 0.646 10.750 -0.551
35 HA THR 5 HA THR 5 2.282 12.374 -2.242
36 HB THR 5 HB THR 5 2.626 9.458 -1.284
37 HG1 THR 5 HG1 THR 5 2.274 10.978 0.367
38 1HG2 THR 5 1HG2 THR 5 4.648 11.630 -1.980
39 2HG2 THR 5 2HG2 THR 5 5.009 9.977 -1.479
40 3HG2 THR 5 3HG2 THR 5 4.264 10.278 -3.046
41 H LEU 6 H LEU 6 0.370 9.515 -2.656
42 HA LEU 6 HA LEU 6 -0.596 8.533 -4.505
43 1HB LEU 6 1HB LEU 6 0.783 10.583 -6.278
44 2HB LEU 6 2HB LEU 6 -0.666 9.663 -6.607
45 HG LEU 6 HG LEU 6 -0.430 11.849 -4.482
46 1HD1 LEU 6 1HD1 LEU 6 -1.897 11.810 -7.148
47 2HD1 LEU 6 2HD1 LEU 6 -1.953 13.113 -5.972
48 3HD1 LEU 6 3HD1 LEU 6 -0.446 12.732 -6.785
49 1HD2 LEU 6 1HD2 LEU 6 -2.873 10.236 -5.367
50 2HD2 LEU 6 2HD2 LEU 6 -2.068 10.080 -3.814
51 3HD2 LEU 6 3HD2 LEU 6 -2.887 11.571 -4.225
52 H ASN 7 H ASN 7 2.813 9.416 -4.865
53 HA ASN 7 HA ASN 7 3.500 7.570 -6.808
54 1HB ASN 7 1HB ASN 7 5.188 8.841 -4.620
55 2HB ASN 7 2HB ASN 7 5.851 8.022 -6.027
56 1HD2 ASN 7 2HD2 ASN 7 4.373 10.972 -4.900
57 2HD2 ASN 7 1HD2 ASN 7 4.438 11.802 -6.379
58 H CYS 8 H CYS 8 5.416 5.996 -6.209
59 HA CYS 8 HA CYS 8 4.224 3.811 -4.701
60 1HB CYS 8 1HB CYS 8 7.078 3.482 -5.290
61 2HB CYS 8 2HB CYS 8 5.732 2.501 -5.755
62 H ASP 9 H ASP 9 4.521 3.361 -2.622
63 HA ASP 9 HA ASP 9 6.314 5.087 -1.026
64 1HB ASP 9 1HB ASP 9 3.848 4.414 -0.444
65 2HB ASP 9 2HB ASP 9 4.543 2.909 0.094
66 HA PRO 10 HA PRO 10 9.618 2.030 -0.961
67 1HB PRO 10 1HB PRO 10 10.107 2.730 1.860
68 2HB PRO 10 2HB PRO 10 11.161 2.907 0.466
69 1HG PRO 10 1HG PRO 10 9.656 4.956 1.766
70 2HG PRO 10 2HG PRO 10 10.623 5.117 0.308
71 1HD PRO 10 1HD PRO 10 7.776 5.249 0.506
72 2HD PRO 10 2HD PRO 10 8.729 5.259 -0.982
73 H ARG 11 H ARG 11 7.168 2.103 1.459
74 HA ARG 11 HA ARG 11 7.728 -0.594 2.476
75 1HB ARG 11 1HB ARG 11 5.849 -0.246 3.958
76 2HB ARG 11 2HB ARG 11 6.801 1.229 3.918
77 1HG ARG 11 1HG ARG 11 5.206 1.921 1.959
78 2HG ARG 11 2HG ARG 11 4.200 0.627 2.535
79 1HD ARG 11 1HD ARG 11 3.755 1.651 4.605
80 2HD ARG 11 2HD ARG 11 5.088 2.808 4.422
81 HE ARG 11 HE ARG 11 3.496 3.079 2.163
82 1HH1 ARG 11 1HH1 ARG 11 3.154 3.469 5.588
83 2HH1 ARG 11 2HH1 ARG 11 1.966 4.723 5.458
84 1HH2 ARG 11 1HH2 ARG 11 1.980 4.684 1.967
85 2HH2 ARG 11 2HH2 ARG 11 1.287 5.423 3.372
86 H ILE 12 H ILE 12 5.562 0.915 0.215
87 HA ILE 12 HA ILE 12 4.019 -1.559 -0.240
88 HB ILE 12 HB ILE 12 3.808 1.169 -1.577
89 1HG1 ILE 12 1HG1 ILE 12 3.222 1.414 0.771
90 2HG1 ILE 12 2HG1 ILE 12 1.780 1.526 -0.206
91 1HG2 ILE 12 1HG2 ILE 12 1.900 -1.206 -1.706
92 2HG2 ILE 12 2HG2 ILE 12 1.560 0.393 -2.348
93 3HG2 ILE 12 3HG2 ILE 12 2.853 -0.566 -3.031
94 1HD1 ILE 12 1HD1 ILE 12 1.205 -0.829 0.352
95 2HD1 ILE 12 2HD1 ILE 12 2.666 -0.942 1.324
96 3HD1 ILE 12 3HD1 ILE 12 1.381 0.153 1.796
97 H ALA 13 H ALA 13 3.973 -2.699 -2.002
98 HA ALA 13 HA ALA 13 6.138 -2.337 -4.055
99 1HB ALA 13 1HB ALA 13 4.634 -4.873 -3.202
100 2HB ALA 13 2HB ALA 13 5.907 -4.811 -4.393
101 3HB ALA 13 3HB ALA 13 6.263 -4.415 -2.726
102 H TYR 14 H TYR 14 2.983 -3.808 -3.518
103 HA TYR 14 HA TYR 14 1.625 -2.155 -5.478
104 1HB TYR 14 1HB TYR 14 1.237 -3.848 -7.216
105 2HB TYR 14 2HB TYR 14 2.959 -3.722 -6.982
106 HD1 TYR 14 HD1 TYR 14 4.180 -5.587 -5.833
107 HD2 TYR 14 HD2 TYR 14 0.013 -5.781 -6.632
108 HE1 TYR 14 HE1 TYR 14 4.210 -7.991 -5.470
109 HE2 TYR 14 HE2 TYR 14 0.020 -8.164 -6.281
110 HH TYR 14 HH TYR 14 1.660 -10.044 -6.357
111 H GLY 15 H GLY 15 -0.435 -3.845 -6.109
112 1HA GLY 15 1HA GLY 15 -1.451 -5.173 -3.726
113 2HA GLY 15 2HA GLY 15 -2.238 -3.633 -4.044
114 H VAL 16 H VAL 16 -3.763 -5.746 -3.955
115 HA VAL 16 HA VAL 16 -4.600 -6.212 -6.798
116 HB VAL 16 HB VAL 16 -4.480 -8.226 -4.496
117 1HG1 VAL 16 1HG1 VAL 16 -5.876 -8.589 -7.174
118 2HG1 VAL 16 2HG1 VAL 16 -5.631 -9.848 -5.976
119 3HG1 VAL 16 3HG1 VAL 16 -6.676 -8.490 -5.613
120 1HG2 VAL 16 1HG2 VAL 16 -2.400 -8.011 -5.836
121 2HG2 VAL 16 2HG2 VAL 16 -3.148 -9.573 -6.113
122 3HG2 VAL 16 3HG2 VAL 16 -3.308 -8.300 -7.310
123 H CYS 17 H CYS 17 -6.731 -5.865 -7.122
124 HA CYS 17 HA CYS 17 -8.362 -4.987 -4.784
125 1HB CYS 17 1HB CYS 17 -8.561 -4.351 -7.725
126 2HB CYS 17 2HB CYS 17 -9.694 -3.767 -6.545
127 HA PRO 18 HA PRO 18 -11.717 -7.961 -5.628
128 1HB PRO 18 1HB PRO 18 -13.532 -5.683 -6.147
129 2HB PRO 18 2HB PRO 18 -13.656 -6.956 -4.942
130 1HG PRO 18 1HG PRO 18 -12.867 -4.285 -4.466
131 2HG PRO 18 2HG PRO 18 -12.718 -5.622 -3.336
132 1HD PRO 18 1HD PRO 18 -10.592 -4.222 -4.727
133 2HD PRO 18 2HD PRO 18 -10.433 -5.524 -3.541
134 H ARG 19 H ARG 19 -12.611 -8.814 -7.454
135 HA ARG 19 HA ARG 19 -12.816 -9.300 -9.692
136 1HB ARG 19 1HB ARG 19 -14.034 -6.842 -9.307
137 2HB ARG 19 2HB ARG 19 -12.913 -6.413 -10.569
138 1HG ARG 19 1HG ARG 19 -14.905 -8.728 -10.708
139 2HG ARG 19 2HG ARG 19 -15.158 -7.151 -11.422
140 1HD ARG 19 1HD ARG 19 -14.373 -8.598 -13.207
141 2HD ARG 19 2HD ARG 19 -13.039 -7.526 -12.799
142 HE ARG 19 HE ARG 19 -13.088 -10.136 -11.417
143 1HH1 ARG 19 1HH1 ARG 19 -11.821 -8.212 -14.020
144 2HH1 ARG 19 2HH1 ARG 19 -10.454 -9.247 -14.252
145 1HH2 ARG 19 1HH2 ARG 19 -11.368 -11.442 -11.709
146 2HH2 ARG 19 2HH2 ARG 19 -10.193 -11.095 -12.933
147 H SER 20 H SER 20 -10.386 -9.561 -8.956
148 HA SER 20 HA SER 20 -8.755 -8.767 -11.292
149 1HB SER 20 1HB SER 20 -7.775 -8.355 -8.399
150 2HB SER 20 2HB SER 20 -6.880 -7.975 -9.876
151 HG SER 20 HG SER 20 -9.291 -6.827 -8.958
152 H GLU 21 H GLU 21 -8.958 -10.916 -11.881
153 HA GLU 21 HA GLU 21 -8.430 -13.086 -10.108
154 1HB GLU 21 1HB GLU 21 -9.922 -13.270 -12.097
155 2HB GLU 21 2HB GLU 21 -8.549 -13.024 -13.159
156 1HG GLU 21 1HG GLU 21 -7.487 -15.112 -12.237
157 2HG GLU 21 2HG GLU 21 -8.893 -15.352 -11.214
158 H GLU 22 H GLU 22 -6.464 -12.735 -9.237
159 HA GLU 22 HA GLU 22 -4.172 -12.704 -8.967
160 1HB GLU 22 1HB GLU 22 -4.903 -14.966 -10.473
161 2HB GLU 22 2HB GLU 22 -3.655 -14.287 -11.485
162 1HG GLU 22 1HG GLU 22 -3.405 -15.089 -8.556
163 2HG GLU 22 2HG GLU 22 -2.654 -15.884 -9.925
164 H LYS 23 H LYS 23 -5.161 -10.541 -10.076
165 HA LYS 23 HA LYS 23 -3.129 -9.630 -12.011
166 1HB LYS 23 1HB LYS 23 -6.103 -9.277 -11.912
167 2HB LYS 23 2HB LYS 23 -5.188 -7.882 -12.447
168 1HG LYS 23 1HG LYS 23 -4.058 -9.316 -14.173
169 2HG LYS 23 2HG LYS 23 -5.065 -10.664 -13.682
170 1HD LYS 23 1HD LYS 23 -6.022 -8.023 -14.876
171 2HD LYS 23 2HD LYS 23 -6.033 -9.581 -15.671
172 1HE LYS 23 1HE LYS 23 -7.738 -8.782 -13.266
173 2HE LYS 23 2HE LYS 23 -8.295 -9.099 -14.896
174 1HZ LYS 23 1HZ LYS 23 -7.501 -11.381 -14.674
175 2HZ LYS 23 2HZ LYS 23 -7.067 -11.063 -13.062
176 3HZ LYS 23 3HZ LYS 23 -8.696 -10.987 -13.530
177 H LYS 24 H LYS 24 -2.006 -7.821 -11.418
178 HA LYS 24 HA LYS 24 -3.052 -6.225 -9.116
179 1HB LYS 24 1HB LYS 24 -0.301 -6.121 -8.671
180 2HB LYS 24 2HB LYS 24 -1.381 -7.192 -7.838
181 1HG LYS 24 1HG LYS 24 -0.042 -8.059 -10.398
182 2HG LYS 24 2HG LYS 24 0.802 -8.135 -8.873
183 1HD LYS 24 1HD LYS 24 -1.061 -9.592 -7.966
184 2HD LYS 24 2HD LYS 24 -1.785 -9.619 -9.562
185 1HE LYS 24 1HE LYS 24 -0.384 -11.592 -9.328
186 2HE LYS 24 2HE LYS 24 0.366 -10.523 -10.495
187 1HZ LYS 24 1HZ LYS 24 1.195 -9.979 -7.814
188 2HZ LYS 24 2HZ LYS 24 1.546 -11.570 -8.293
189 3HZ LYS 24 3HZ LYS 24 2.125 -10.260 -9.206
190 H ASN 25 H ASN 25 -3.524 -5.405 -11.470
191 HA ASN 25 HA ASN 25 -3.101 -3.921 -13.211
192 1HB ASN 25 1HB ASN 25 -3.265 -2.774 -10.512
193 2HB ASN 25 2HB ASN 25 -2.492 -1.674 -11.621
194 1HD2 ASN 25 2HD2 ASN 25 -5.386 -3.759 -11.322
195 2HD2 ASN 25 1HD2 ASN 25 -6.400 -2.760 -12.247
196 H ASP 26 H ASP 26 -0.727 -5.419 -12.832
197 HA ASP 26 HA ASP 26 1.519 -5.443 -13.407
198 1HB ASP 26 1HB ASP 26 0.143 -3.710 -15.229
199 2HB ASP 26 2HB ASP 26 1.611 -2.842 -14.852
200 H ARG 27 H ARG 27 1.585 -5.019 -11.063
201 HA ARG 27 HA ARG 27 2.384 -4.074 -9.137
202 1HB ARG 27 1HB ARG 27 4.397 -4.853 -10.050
203 2HB ARG 27 2HB ARG 27 4.412 -3.619 -11.280
204 1HG ARG 27 1HG ARG 27 4.979 -1.905 -9.507
205 2HG ARG 27 2HG ARG 27 4.776 -3.125 -8.264
206 1HD ARG 27 1HD ARG 27 6.704 -4.410 -9.353
207 2HD ARG 27 2HD ARG 27 6.917 -3.035 -10.429
208 HE ARG 27 HE ARG 27 7.850 -1.815 -8.655
209 1HH1 ARG 27 1HH1 ARG 27 6.215 -4.642 -7.481
210 2HH1 ARG 27 2HH1 ARG 27 6.821 -4.455 -5.872
211 1HH2 ARG 27 1HH2 ARG 27 8.611 -1.563 -6.602
212 2HH2 ARG 27 2HH2 ARG 27 8.180 -2.695 -5.364
213 H ILE 28 H ILE 28 1.187 -2.486 -8.323
214 HA ILE 28 HA ILE 28 0.826 0.080 -9.488
215 HB ILE 28 HB ILE 28 0.351 0.048 -6.576
216 1HG1 ILE 28 1HG1 ILE 28 0.011 -2.312 -6.789
217 2HG1 ILE 28 2HG1 ILE 28 -1.519 -1.547 -6.517
218 1HG2 ILE 28 1HG2 ILE 28 -1.487 0.391 -8.957
219 2HG2 ILE 28 2HG2 ILE 28 -1.911 0.731 -7.286
220 3HG2 ILE 28 3HG2 ILE 28 -0.661 1.670 -8.082
221 1HD1 ILE 28 1HD1 ILE 28 -0.521 -2.627 -9.172
222 2HD1 ILE 28 2HD1 ILE 28 -1.725 -3.337 -8.127
223 3HD1 ILE 28 3HD1 ILE 28 -2.056 -1.805 -8.922
224 H CYS 29 H CYS 29 1.218 2.041 -8.320
225 HA CYS 29 HA CYS 29 3.773 2.236 -6.817
226 1HB CYS 29 1HB CYS 29 4.121 2.796 -9.206
227 2HB CYS 29 2HB CYS 29 2.791 3.913 -9.162
228 H THR 30 H THR 30 2.167 2.188 -5.127
229 HA THR 30 HA THR 30 0.901 4.855 -4.697
230 HB THR 30 HB THR 30 -0.835 3.125 -5.509
231 HG1 THR 30 HG1 THR 30 -0.997 4.868 -3.679
232 1HG2 THR 30 1HG2 THR 30 -0.253 1.852 -2.784
233 2HG2 THR 30 2HG2 THR 30 -1.502 1.395 -3.925
234 3HG2 THR 30 3HG2 THR 30 0.187 1.120 -4.321
235 H ASN 31 H ASN 31 0.048 4.996 -2.485
236 HA ASN 31 HA ASN 31 1.806 3.874 -0.368
237 1HB ASN 31 1HB ASN 31 1.729 6.284 0.634
238 2HB ASN 31 2HB ASN 31 2.748 6.134 -0.774
239 1HD2 ASN 31 2HD2 ASN 31 0.669 8.221 0.497
240 2HD2 ASN 31 1HD2 ASN 31 0.077 8.890 -0.947
241 H CYS 32 H CYS 32 0.734 3.644 1.619
242 HA CYS 32 HA CYS 32 -1.890 2.826 1.695
243 1HB CYS 32 1HB CYS 32 -0.177 2.654 3.550
244 2HB CYS 32 2HB CYS 32 -0.559 4.295 3.994
245 H CYS 33 H CYS 33 -0.768 6.098 2.274
246 HA CYS 33 HA CYS 33 -3.245 7.287 3.022
247 1HB CYS 33 1HB CYS 33 -1.032 8.341 3.299
248 2HB CYS 33 2HB CYS 33 -0.869 8.487 1.576
249 H ALA 34 H ALA 34 -1.648 7.142 -0.171
250 HA ALA 34 HA ALA 34 -3.794 8.390 -1.613
251 1HB ALA 34 1HB ALA 34 -1.663 6.426 -2.587
252 2HB ALA 34 2HB ALA 34 -2.649 7.445 -3.624
253 3HB ALA 34 3HB ALA 34 -1.496 8.173 -2.516
254 H GLY 35 H GLY 35 -2.773 5.043 -1.728
255 1HA GLY 35 1HA GLY 35 -3.928 3.143 -2.478
256 2HA GLY 35 2HA GLY 35 -4.584 3.399 -0.891
257 H THR 36 H THR 36 -6.324 2.206 -1.431
258 HA THR 36 HA THR 36 -8.596 3.611 -2.616
259 HB THR 36 HB THR 36 -8.084 0.849 -3.453
260 HG1 THR 36 HG1 THR 36 -7.109 3.221 -4.714
261 1HG2 THR 36 1HG2 THR 36 -9.389 3.216 -4.965
262 2HG2 THR 36 2HG2 THR 36 -9.292 1.588 -5.608
263 3HG2 THR 36 3HG2 THR 36 -10.309 1.916 -4.232
264 H LYS 37 H LYS 37 -10.496 2.031 -2.567
265 HA LYS 37 HA LYS 37 -10.727 0.836 0.129
266 1HB LYS 37 1HB LYS 37 -13.138 0.921 -1.665
267 2HB LYS 37 2HB LYS 37 -12.995 1.304 0.034
268 1HG LYS 37 1HG LYS 37 -12.038 3.539 -0.552
269 2HG LYS 37 2HG LYS 37 -12.096 3.126 -2.248
270 1HD LYS 37 1HD LYS 37 -14.010 4.516 -1.708
271 2HD LYS 37 2HD LYS 37 -14.586 2.904 -2.075
272 1HE LYS 37 1HE LYS 37 -14.789 2.408 0.359
273 2HE LYS 37 2HE LYS 37 -14.157 4.002 0.742
274 1HZ LYS 37 1HZ LYS 37 -16.631 3.446 -0.782
275 2HZ LYS 37 2HZ LYS 37 -16.551 3.934 0.843
276 3HZ LYS 37 3HZ LYS 37 -16.030 4.985 -0.386
277 H GLY 38 H GLY 38 -11.032 -1.197 0.527
278 1HA GLY 38 1HA GLY 38 -11.446 -3.470 0.236
279 2HA GLY 38 2HA GLY 38 -12.012 -3.135 -1.387
280 H CYS 39 H CYS 39 -9.247 -1.814 -1.905
281 HA CYS 39 HA CYS 39 -8.010 -4.276 -2.871
282 1HB CYS 39 1HB CYS 39 -6.910 -1.502 -2.903
283 2HB CYS 39 2HB CYS 39 -6.444 -2.814 -3.920
284 H LYS 40 H LYS 40 -6.134 -5.087 -2.247
285 HA LYS 40 HA LYS 40 -4.996 -4.291 0.403
286 1HB LYS 40 1HB LYS 40 -5.087 -6.993 -0.986
287 2HB LYS 40 2HB LYS 40 -4.103 -6.681 0.417
288 1HG LYS 40 1HG LYS 40 -6.149 -7.733 1.164
289 2HG LYS 40 2HG LYS 40 -6.115 -6.087 1.741
290 1HD LYS 40 1HD LYS 40 -8.354 -6.765 0.918
291 2HD LYS 40 2HD LYS 40 -7.734 -5.383 0.061
292 1HE LYS 40 1HE LYS 40 -8.779 -7.075 -1.478
293 2HE LYS 40 2HE LYS 40 -7.075 -6.896 -1.847
294 1HZ LYS 40 1HZ LYS 40 -8.161 -8.982 -0.051
295 2HZ LYS 40 2HZ LYS 40 -7.876 -9.211 -1.711
296 3HZ LYS 40 3HZ LYS 40 -6.581 -8.868 -0.666
297 H TYR 41 H TYR 41 -3.130 -3.227 0.249
298 HA TYR 41 HA TYR 41 -1.328 -3.757 -2.004
299 1HB TYR 41 1HB TYR 41 -1.561 -1.433 -0.055
300 2HB TYR 41 2HB TYR 41 -0.387 -1.557 -1.340
301 HD1 TYR 41 HD1 TYR 41 -1.123 -1.376 -3.737
302 HD2 TYR 41 HD2 TYR 41 -3.897 -1.090 -0.536
303 HE1 TYR 41 HE1 TYR 41 -2.818 -0.482 -5.273
304 HE2 TYR 41 HE2 TYR 41 -5.582 -0.188 -2.063
305 HH TYR 41 HH TYR 41 -6.123 0.126 -4.228
306 H PHE 42 H PHE 42 0.359 -4.913 -1.633
307 HA PHE 42 HA PHE 42 1.497 -5.198 1.082
308 1HB PHE 42 1HB PHE 42 2.279 -7.420 -0.543
309 2HB PHE 42 2HB PHE 42 1.198 -7.397 0.822
310 HD1 PHE 42 HD1 PHE 42 1.237 -6.904 -2.882
311 HD2 PHE 42 HD2 PHE 42 -1.072 -7.795 0.586
312 HE1 PHE 42 HE1 PHE 42 -0.694 -7.493 -4.294
313 HE2 PHE 42 HE2 PHE 42 -2.989 -8.382 -0.833
314 HZ PHE 42 HZ PHE 42 -2.792 -8.228 -3.275
315 H SER 43 H SER 43 3.616 -5.832 1.210
316 HA SER 43 HA SER 43 5.465 -4.138 -0.113
317 1HB SER 43 1HB SER 43 5.928 -6.581 1.663
318 2HB SER 43 2HB SER 43 7.055 -5.286 1.331
319 HG SER 43 HG SER 43 5.742 -3.834 2.324
320 H ASP 44 H ASP 44 7.584 -5.235 -0.694
321 HA ASP 44 HA ASP 44 7.113 -6.749 -3.158
322 1HB ASP 44 1HB ASP 44 9.046 -4.897 -2.326
323 2HB ASP 44 2HB ASP 44 9.943 -6.403 -2.279
324 H ASP 45 H ASP 45 8.131 -7.299 0.050
325 HA ASP 45 HA ASP 45 9.319 -9.916 -0.290
326 1HB ASP 45 1HB ASP 45 9.890 -8.496 1.640
327 2HB ASP 45 2HB ASP 45 8.212 -8.433 2.141
328 H GLY 46 H GLY 46 6.139 -8.760 -0.401
329 1HA GLY 46 1HA GLY 46 4.188 -9.861 -0.796
330 2HA GLY 46 2HA GLY 46 5.025 -11.416 -0.558
331 H THR 47 H THR 47 4.066 -8.494 1.166
332 HA THR 47 HA THR 47 2.899 -9.955 3.322
333 HB THR 47 HB THR 47 5.292 -8.077 3.685
334 HG1 THR 47 HG1 THR 47 5.932 -10.108 3.184
335 1HG2 THR 47 1HG2 THR 47 3.703 -9.641 5.821
336 2HG2 THR 47 2HG2 THR 47 5.098 -8.620 6.136
337 3HG2 THR 47 3HG2 THR 47 3.584 -7.900 5.622
338 H PHE 48 H PHE 48 1.034 -9.037 3.468
339 HA PHE 48 HA PHE 48 0.106 -6.670 2.360
340 1HB PHE 48 1HB PHE 48 -1.420 -8.367 3.132
341 2HB PHE 48 2HB PHE 48 -0.875 -8.195 4.792
342 HD1 PHE 48 HD1 PHE 48 -2.627 -6.387 2.028
343 HD2 PHE 48 HD2 PHE 48 -1.805 -6.525 6.208
344 HE1 PHE 48 HE1 PHE 48 -4.305 -4.641 2.426
345 HE2 PHE 48 HE2 PHE 48 -3.479 -4.779 6.596
346 HZ PHE 48 HZ PHE 48 -4.728 -3.833 4.714
347 H VAL 49 H VAL 49 0.492 -4.650 2.675
348 HA VAL 49 HA VAL 49 1.521 -3.694 5.311
349 HB VAL 49 HB VAL 49 1.502 -2.277 2.634
350 1HG1 VAL 49 1HG1 VAL 49 2.956 -1.621 5.244
351 2HG1 VAL 49 2HG1 VAL 49 3.153 -0.753 3.734
352 3HG1 VAL 49 3HG1 VAL 49 1.618 -0.704 4.571
353 1HG2 VAL 49 1HG2 VAL 49 3.746 -3.739 4.048
354 2HG2 VAL 49 2HG2 VAL 49 2.941 -4.256 2.573
355 3HG2 VAL 49 3HG2 VAL 49 3.904 -2.791 2.575
356 H CYS 50 H CYS 50 -0.942 -2.791 2.845
357 HA CYS 50 HA CYS 50 -2.636 -1.695 4.985
358 1HB CYS 50 1HB CYS 50 -0.991 -0.103 3.258
359 2HB CYS 50 2HB CYS 50 -2.652 0.402 3.211
360 H GLU 51 H GLU 51 -4.798 -1.341 4.221
361 HA GLU 51 HA GLU 51 -5.335 -2.714 1.621
362 1HB GLU 51 1HB GLU 51 -6.637 -3.753 3.342
363 2HB GLU 51 2HB GLU 51 -6.939 -2.243 4.174
364 1HG GLU 51 1HG GLU 51 -8.710 -1.640 2.706
365 2HG GLU 51 2HG GLU 51 -8.167 -2.712 1.429
366 H GLY 52 H GLY 52 -4.160 -0.540 1.251
367 1HA GLY 52 1HA GLY 52 -4.170 1.499 0.143
368 2HA GLY 52 2HA GLY 52 -5.820 1.087 -0.319
369 H GLU 53 H GLU 53 -6.450 3.293 -0.095
370 HA GLU 53 HA GLU 53 -6.248 4.525 2.576
371 1HB GLU 53 1HB GLU 53 -7.136 6.524 1.532
372 2HB GLU 53 2HB GLU 53 -5.902 5.842 0.513
373 1HG GLU 53 1HG GLU 53 -7.664 6.563 -0.958
374 2HG GLU 53 2HG GLU 53 -7.692 4.815 -0.930
375 H SER 54 H SER 54 -8.693 3.055 0.430
376 HA SER 54 HA SER 54 -10.928 2.629 0.821
377 1HB SER 54 1HB SER 54 -9.717 0.836 2.104
378 2HB SER 54 2HB SER 54 -9.793 1.838 3.558
379 HG SER 54 HG SER 54 -12.019 1.061 1.983
Start of MODEL 16
1 1H MET 1 1H MET 1 -4.705 9.601 5.024
2 2H MET 1 2H MET 1 -4.386 9.247 6.655
3 3H MET 1 3H MET 1 -5.986 9.252 6.083
4 HA MET 1 HA MET 1 -5.804 11.250 7.200
5 1HB MET 1 1HB MET 1 -3.853 12.801 6.838
6 2HB MET 1 2HB MET 1 -3.365 11.264 7.520
7 1HG MET 1 1HG MET 1 -2.670 10.456 5.324
8 2HG MET 1 2HG MET 1 -3.240 11.909 4.552
9 1HE MET 1 1HE MET 1 -2.398 14.210 5.111
10 2HE MET 1 2HE MET 1 -0.677 14.509 5.070
11 3HE MET 1 3HE MET 1 -1.439 13.678 3.712
12 H LYS 2 H LYS 2 -6.225 13.413 6.416
13 HA LYS 2 HA LYS 2 -7.672 13.409 3.913
14 1HB LYS 2 1HB LYS 2 -6.806 15.813 5.577
15 2HB LYS 2 2HB LYS 2 -8.110 15.777 4.414
16 1HG LYS 2 1HG LYS 2 -8.042 14.254 7.057
17 2HG LYS 2 2HG LYS 2 -8.953 15.706 6.738
18 1HD LYS 2 1HD LYS 2 -10.636 14.155 6.426
19 2HD LYS 2 2HD LYS 2 -10.041 14.249 4.783
20 1HE LYS 2 1HE LYS 2 -8.666 12.174 5.169
21 2HE LYS 2 2HE LYS 2 -9.235 12.132 6.827
22 1HZ LYS 2 1HZ LYS 2 -11.480 11.900 6.017
23 2HZ LYS 2 2HZ LYS 2 -10.932 11.964 4.411
24 3HZ LYS 2 3HZ LYS 2 -10.485 10.665 5.409
25 H ALA 3 H ALA 3 -7.005 13.910 1.961
26 HA ALA 3 HA ALA 3 -5.593 14.379 0.174
27 1HB ALA 3 1HB ALA 3 -6.052 16.699 0.941
28 2HB ALA 3 2HB ALA 3 -4.706 16.623 2.065
29 3HB ALA 3 3HB ALA 3 -4.410 16.581 0.335
30 H CYS 4 H CYS 4 -4.501 12.387 0.527
31 HA CYS 4 HA CYS 4 -2.225 11.968 2.118
32 1HB CYS 4 1HB CYS 4 -2.976 10.712 -0.530
33 2HB CYS 4 2HB CYS 4 -1.810 10.074 0.585
34 H THR 5 H THR 5 -0.061 11.412 1.300
35 HA THR 5 HA THR 5 1.225 13.686 0.181
36 HB THR 5 HB THR 5 2.263 10.824 0.682
37 HG1 THR 5 HG1 THR 5 1.937 13.177 2.236
38 1HG2 THR 5 1HG2 THR 5 3.653 13.541 0.760
39 2HG2 THR 5 2HG2 THR 5 4.401 11.970 1.049
40 3HG2 THR 5 3HG2 THR 5 3.841 12.393 -0.564
41 H LEU 6 H LEU 6 -0.103 10.844 -1.115
42 HA LEU 6 HA LEU 6 -0.616 10.172 -3.248
43 1HB LEU 6 1HB LEU 6 1.034 12.503 -4.323
44 2HB LEU 6 2HB LEU 6 -0.205 11.590 -5.152
45 HG LEU 6 HG LEU 6 -0.699 13.429 -2.766
46 1HD1 LEU 6 1HD1 LEU 6 -1.415 13.739 -5.706
47 2HD1 LEU 6 2HD1 LEU 6 -1.879 14.843 -4.420
48 3HD1 LEU 6 3HD1 LEU 6 -0.187 14.651 -4.843
49 1HD2 LEU 6 1HD2 LEU 6 -2.693 11.872 -4.482
50 2HD2 LEU 6 2HD2 LEU 6 -2.311 11.513 -2.806
51 3HD2 LEU 6 3HD2 LEU 6 -3.110 13.016 -3.217
52 H ASN 7 H ASN 7 2.758 11.241 -2.841
53 HA ASN 7 HA ASN 7 3.941 9.702 -4.775
54 1HB ASN 7 1HB ASN 7 5.032 10.469 -2.049
55 2HB ASN 7 2HB ASN 7 6.019 9.879 -3.373
56 1HD2 ASN 7 2HD2 ASN 7 3.928 12.586 -2.392
57 2HD2 ASN 7 1HD2 ASN 7 4.546 13.693 -3.521
58 H CYS 8 H CYS 8 5.153 7.856 -4.634
59 HA CYS 8 HA CYS 8 3.817 5.562 -3.559
60 1HB CYS 8 1HB CYS 8 6.610 5.167 -4.354
61 2HB CYS 8 2HB CYS 8 5.171 4.379 -4.906
62 H ASP 9 H ASP 9 4.167 4.288 -1.888
63 HA ASP 9 HA ASP 9 5.966 5.211 0.253
64 1HB ASP 9 1HB ASP 9 3.682 4.666 0.890
65 2HB ASP 9 2HB ASP 9 3.821 3.080 0.147
66 HA PRO 10 HA PRO 10 8.909 2.476 -1.633
67 1HB PRO 10 1HB PRO 10 10.779 2.489 0.520
68 2HB PRO 10 2HB PRO 10 10.773 3.539 -0.889
69 1HG PRO 10 1HG PRO 10 9.973 4.152 1.871
70 2HG PRO 10 2HG PRO 10 10.348 5.257 0.557
71 1HD PRO 10 1HD PRO 10 7.758 4.693 1.565
72 2HD PRO 10 2HD PRO 10 8.121 5.541 0.050
73 H ARG 11 H ARG 11 7.545 1.869 1.440
74 HA ARG 11 HA ARG 11 8.595 -0.831 1.794
75 1HB ARG 11 1HB ARG 11 5.997 0.159 3.040
76 2HB ARG 11 2HB ARG 11 7.109 -1.033 3.641
77 1HG ARG 11 1HG ARG 11 8.795 0.598 4.190
78 2HG ARG 11 2HG ARG 11 7.911 1.888 3.395
79 1HD ARG 11 1HD ARG 11 6.881 0.344 5.818
80 2HD ARG 11 2HD ARG 11 7.591 1.956 5.859
81 HE ARG 11 HE ARG 11 5.313 1.625 4.026
82 1HH1 ARG 11 1HH1 ARG 11 6.408 2.589 7.174
83 2HH1 ARG 11 2HH1 ARG 11 5.006 3.559 7.474
84 1HH2 ARG 11 1HH2 ARG 11 3.554 2.835 4.384
85 2HH2 ARG 11 2HH2 ARG 11 3.361 3.699 5.874
86 H ILE 12 H ILE 12 5.717 0.659 0.436
87 HA ILE 12 HA ILE 12 4.336 -1.832 -0.101
88 HB ILE 12 HB ILE 12 3.854 1.045 -0.880
89 1HG1 ILE 12 1HG1 ILE 12 2.368 -1.009 0.823
90 2HG1 ILE 12 2HG1 ILE 12 3.512 0.135 1.491
91 1HG2 ILE 12 1HG2 ILE 12 2.121 -1.386 -1.598
92 2HG2 ILE 12 2HG2 ILE 12 1.677 0.293 -1.859
93 3HG2 ILE 12 3HG2 ILE 12 2.994 -0.407 -2.765
94 1HD1 ILE 12 1HD1 ILE 12 0.935 0.821 0.057
95 2HD1 ILE 12 2HD1 ILE 12 1.241 0.905 1.784
96 3HD1 ILE 12 3HD1 ILE 12 2.097 1.982 0.696
97 H ALA 13 H ALA 13 4.146 -2.918 -1.867
98 HA ALA 13 HA ALA 13 6.018 -2.451 -4.128
99 1HB ALA 13 1HB ALA 13 4.647 -5.005 -3.195
100 2HB ALA 13 2HB ALA 13 5.768 -4.904 -4.536
101 3HB ALA 13 3HB ALA 13 6.320 -4.553 -2.914
102 H TYR 14 H TYR 14 2.885 -3.969 -3.552
103 HA TYR 14 HA TYR 14 1.638 -2.419 -5.721
104 1HB TYR 14 1HB TYR 14 0.953 -4.518 -7.001
105 2HB TYR 14 2HB TYR 14 2.670 -4.201 -7.057
106 HD1 TYR 14 HD1 TYR 14 4.249 -5.613 -5.821
107 HD2 TYR 14 HD2 TYR 14 0.077 -6.442 -5.739
108 HE1 TYR 14 HE1 TYR 14 4.713 -7.838 -4.912
109 HE2 TYR 14 HE2 TYR 14 0.544 -8.671 -4.833
110 HH TYR 14 HH TYR 14 2.790 -9.618 -3.350
111 H GLY 15 H GLY 15 -0.640 -3.471 -6.129
112 1HA GLY 15 1HA GLY 15 -1.802 -4.462 -3.607
113 2HA GLY 15 2HA GLY 15 -2.447 -2.949 -4.231
114 H VAL 16 H VAL 16 -3.866 -5.319 -3.774
115 HA VAL 16 HA VAL 16 -4.921 -5.791 -6.528
116 HB VAL 16 HB VAL 16 -3.983 -7.959 -4.620
117 1HG1 VAL 16 1HG1 VAL 16 -5.789 -8.344 -7.030
118 2HG1 VAL 16 2HG1 VAL 16 -5.020 -9.643 -6.131
119 3HG1 VAL 16 3HG1 VAL 16 -6.246 -8.654 -5.366
120 1HG2 VAL 16 1HG2 VAL 16 -3.449 -7.426 -7.566
121 2HG2 VAL 16 2HG2 VAL 16 -2.318 -7.125 -6.255
122 3HG2 VAL 16 3HG2 VAL 16 -2.792 -8.765 -6.641
123 H CYS 17 H CYS 17 -6.964 -5.644 -6.671
124 HA CYS 17 HA CYS 17 -8.710 -5.876 -4.269
125 1HB CYS 17 1HB CYS 17 -9.958 -4.477 -6.482
126 2HB CYS 17 2HB CYS 17 -9.647 -3.924 -4.869
127 HA PRO 18 HA PRO 18 -10.509 -9.382 -6.235
128 1HB PRO 18 1HB PRO 18 -13.022 -9.332 -4.971
129 2HB PRO 18 2HB PRO 18 -11.562 -10.088 -4.350
130 1HG PRO 18 1HG PRO 18 -12.846 -7.563 -3.515
131 2HG PRO 18 2HG PRO 18 -11.712 -8.575 -2.632
132 1HD PRO 18 1HD PRO 18 -11.106 -6.102 -3.899
133 2HD PRO 18 2HD PRO 18 -9.932 -7.276 -3.276
134 H ARG 19 H ARG 19 -11.749 -9.898 -7.927
135 HA ARG 19 HA ARG 19 -12.812 -9.545 -9.954
136 1HB ARG 19 1HB ARG 19 -14.863 -8.043 -8.260
137 2HB ARG 19 2HB ARG 19 -15.172 -8.966 -9.715
138 1HG ARG 19 1HG ARG 19 -14.268 -10.120 -7.034
139 2HG ARG 19 2HG ARG 19 -15.877 -10.222 -7.710
140 1HD ARG 19 1HD ARG 19 -14.965 -11.539 -9.659
141 2HD ARG 19 2HD ARG 19 -13.367 -11.465 -8.928
142 HE ARG 19 HE ARG 19 -14.017 -13.072 -7.360
143 1HH1 ARG 19 1HH1 ARG 19 -16.787 -11.804 -9.020
144 2HH1 ARG 19 2HH1 ARG 19 -17.862 -12.986 -8.355
145 1HH2 ARG 19 1HH2 ARG 19 -15.364 -14.572 -6.509
146 2HH2 ARG 19 2HH2 ARG 19 -17.048 -14.573 -6.914
147 H SER 20 H SER 20 -10.926 -7.571 -9.238
148 HA SER 20 HA SER 20 -11.606 -5.482 -11.195
149 1HB SER 20 1HB SER 20 -10.877 -4.816 -8.284
150 2HB SER 20 2HB SER 20 -11.020 -3.618 -9.581
151 HG SER 20 HG SER 20 -13.174 -4.617 -9.905
152 H GLU 21 H GLU 21 -10.051 -6.266 -12.401
153 HA GLU 21 HA GLU 21 -7.944 -6.397 -13.366
154 1HB GLU 21 1HB GLU 21 -6.752 -5.358 -10.717
155 2HB GLU 21 2HB GLU 21 -5.985 -5.388 -12.281
156 1HG GLU 21 1HG GLU 21 -8.406 -3.680 -11.548
157 2HG GLU 21 2HG GLU 21 -6.768 -3.113 -11.791
158 H GLU 22 H GLU 22 -7.402 -7.107 -9.931
159 HA GLU 22 HA GLU 22 -6.484 -8.926 -8.859
160 1HB GLU 22 1HB GLU 22 -8.867 -9.619 -10.085
161 2HB GLU 22 2HB GLU 22 -7.830 -10.880 -10.705
162 1HG GLU 22 1HG GLU 22 -7.141 -11.440 -8.363
163 2HG GLU 22 2HG GLU 22 -8.181 -10.159 -7.757
164 H LYS 23 H LYS 23 -4.467 -8.173 -9.869
165 HA LYS 23 HA LYS 23 -3.034 -10.411 -11.024
166 1HB LYS 23 1HB LYS 23 -3.803 -9.315 -13.066
167 2HB LYS 23 2HB LYS 23 -3.433 -7.729 -12.438
168 1HG LYS 23 1HG LYS 23 -1.177 -9.716 -12.784
169 2HG LYS 23 2HG LYS 23 -1.830 -8.923 -14.202
170 1HD LYS 23 1HD LYS 23 -1.378 -6.699 -13.220
171 2HD LYS 23 2HD LYS 23 -0.773 -7.417 -11.745
172 1HE LYS 23 1HE LYS 23 1.087 -6.793 -13.159
173 2HE LYS 23 2HE LYS 23 1.018 -8.541 -13.025
174 1HZ LYS 23 1HZ LYS 23 -0.322 -7.174 -15.254
175 2HZ LYS 23 2HZ LYS 23 1.350 -7.471 -15.311
176 3HZ LYS 23 3HZ LYS 23 0.262 -8.767 -15.165
177 H LYS 24 H LYS 24 -0.958 -10.434 -10.338
178 HA LYS 24 HA LYS 24 0.229 -8.011 -9.107
179 1HB LYS 24 1HB LYS 24 0.926 -9.897 -7.190
180 2HB LYS 24 2HB LYS 24 -0.363 -8.731 -7.029
181 1HG LYS 24 1HG LYS 24 -2.019 -10.395 -7.844
182 2HG LYS 24 2HG LYS 24 -0.732 -11.572 -8.035
183 1HD LYS 24 1HD LYS 24 -0.232 -11.451 -5.611
184 2HD LYS 24 2HD LYS 24 -1.460 -10.217 -5.397
185 1HE LYS 24 1HE LYS 24 -3.206 -11.827 -6.162
186 2HE LYS 24 2HE LYS 24 -1.970 -13.067 -6.349
187 1HZ LYS 24 1HZ LYS 24 -2.626 -11.671 -3.821
188 2HZ LYS 24 2HZ LYS 24 -3.129 -13.238 -4.244
189 3HZ LYS 24 3HZ LYS 24 -1.477 -12.908 -4.014
190 H ASN 25 H ASN 25 1.668 -8.006 -10.719
191 HA ASN 25 HA ASN 25 4.022 -9.657 -10.421
192 1HB ASN 25 1HB ASN 25 2.012 -10.259 -12.551
193 2HB ASN 25 2HB ASN 25 3.616 -10.007 -13.214
194 1HD2 ASN 25 2HD2 ASN 25 5.408 -11.295 -12.053
195 2HD2 ASN 25 1HD2 ASN 25 5.008 -12.855 -11.517
196 H ASP 26 H ASP 26 3.094 -6.955 -10.248
197 HA ASP 26 HA ASP 26 5.231 -5.602 -11.737
198 1HB ASP 26 1HB ASP 26 2.311 -5.339 -12.400
199 2HB ASP 26 2HB ASP 26 3.127 -3.811 -12.163
200 H ARG 27 H ARG 27 6.201 -4.728 -10.020
201 HA ARG 27 HA ARG 27 4.689 -3.968 -7.613
202 1HB ARG 27 1HB ARG 27 6.819 -5.063 -7.273
203 2HB ARG 27 2HB ARG 27 7.634 -4.002 -8.395
204 1HG ARG 27 1HG ARG 27 6.423 -2.447 -6.246
205 2HG ARG 27 2HG ARG 27 7.404 -3.718 -5.575
206 1HD ARG 27 1HD ARG 27 9.319 -2.899 -7.036
207 2HD ARG 27 2HD ARG 27 8.327 -1.519 -7.488
208 HE ARG 27 HE ARG 27 9.672 -1.897 -4.962
209 1HH1 ARG 27 1HH1 ARG 27 6.835 -0.542 -6.428
210 2HH1 ARG 27 2HH1 ARG 27 6.616 0.631 -5.173
211 1HH2 ARG 27 1HH2 ARG 27 9.412 -0.420 -3.372
212 2HH2 ARG 27 2HH2 ARG 27 8.093 0.703 -3.421
213 H ILE 28 H ILE 28 3.380 -2.376 -8.637
214 HA ILE 28 HA ILE 28 4.314 -0.113 -10.027
215 HB ILE 28 HB ILE 28 1.902 0.278 -8.330
216 1HG1 ILE 28 1HG1 ILE 28 0.638 -1.146 -10.301
217 2HG1 ILE 28 2HG1 ILE 28 2.139 -2.045 -10.292
218 1HG2 ILE 28 1HG2 ILE 28 2.435 0.585 -11.270
219 2HG2 ILE 28 2HG2 ILE 28 0.951 1.057 -10.446
220 3HG2 ILE 28 3HG2 ILE 28 2.455 1.867 -10.063
221 1HD1 ILE 28 1HD1 ILE 28 1.846 -2.415 -7.840
222 2HD1 ILE 28 2HD1 ILE 28 0.331 -1.542 -7.897
223 3HD1 ILE 28 3HD1 ILE 28 0.498 -3.062 -8.763
224 H CYS 29 H CYS 29 3.896 2.112 -9.176
225 HA CYS 29 HA CYS 29 5.354 2.514 -6.600
226 1HB CYS 29 1HB CYS 29 6.042 3.399 -9.009
227 2HB CYS 29 2HB CYS 29 4.849 4.624 -8.715
228 H THR 30 H THR 30 3.787 2.561 -5.059
229 HA THR 30 HA THR 30 1.854 4.750 -5.048
230 HB THR 30 HB THR 30 0.583 3.011 -6.369
231 HG1 THR 30 HG1 THR 30 -1.149 2.903 -4.843
232 1HG2 THR 30 1HG2 THR 30 1.696 0.945 -5.301
233 2HG2 THR 30 2HG2 THR 30 0.828 1.309 -3.817
234 3HG2 THR 30 3HG2 THR 30 -0.057 0.883 -5.270
235 H ASN 31 H ASN 31 0.581 4.785 -3.038
236 HA ASN 31 HA ASN 31 2.002 3.531 -0.736
237 1HB ASN 31 1HB ASN 31 1.579 5.677 0.525
238 2HB ASN 31 2HB ASN 31 2.661 5.917 -0.822
239 1HD2 ASN 31 2HD2 ASN 31 0.246 7.420 0.665
240 2HD2 ASN 31 1HD2 ASN 31 -0.397 8.249 -0.668
241 H CYS 32 H CYS 32 0.791 3.435 1.223
242 HA CYS 32 HA CYS 32 -1.734 2.187 0.923
243 1HB CYS 32 1HB CYS 32 -0.467 1.560 2.810
244 2HB CYS 32 2HB CYS 32 -0.206 3.212 3.310
245 H CYS 33 H CYS 33 -1.007 5.422 2.211
246 HA CYS 33 HA CYS 33 -3.653 6.144 2.908
247 1HB CYS 33 1HB CYS 33 -1.560 7.393 3.470
248 2HB CYS 33 2HB CYS 33 -1.475 7.954 1.824
249 H ALA 34 H ALA 34 -1.891 6.777 -0.099
250 HA ALA 34 HA ALA 34 -4.168 7.916 -1.485
251 1HB ALA 34 1HB ALA 34 -1.805 8.360 -2.177
252 2HB ALA 34 2HB ALA 34 -1.652 6.665 -2.637
253 3HB ALA 34 3HB ALA 34 -2.754 7.716 -3.509
254 H GLY 35 H GLY 35 -3.093 4.772 -0.802
255 1HA GLY 35 1HA GLY 35 -3.957 3.122 -2.802
256 2HA GLY 35 2HA GLY 35 -4.038 2.679 -1.107
257 H THR 36 H THR 36 -5.907 1.873 -3.134
258 HA THR 36 HA THR 36 -8.338 3.438 -2.615
259 HB THR 36 HB THR 36 -8.440 0.874 -4.169
260 HG1 THR 36 HG1 THR 36 -6.512 2.009 -4.816
261 1HG2 THR 36 1HG2 THR 36 -10.475 2.420 -4.088
262 2HG2 THR 36 2HG2 THR 36 -9.494 3.662 -4.849
263 3HG2 THR 36 3HG2 THR 36 -9.850 2.179 -5.702
264 H LYS 37 H LYS 37 -10.304 2.115 -2.364
265 HA LYS 37 HA LYS 37 -10.084 0.475 0.097
266 1HB LYS 37 1HB LYS 37 -11.809 2.030 0.428
267 2HB LYS 37 2HB LYS 37 -12.187 2.117 -1.279
268 1HG LYS 37 1HG LYS 37 -13.403 -0.041 -1.153
269 2HG LYS 37 2HG LYS 37 -12.934 -0.227 0.525
270 1HD LYS 37 1HD LYS 37 -15.241 0.609 0.394
271 2HD LYS 37 2HD LYS 37 -14.213 1.829 1.113
272 1HE LYS 37 1HE LYS 37 -15.779 2.800 -0.572
273 2HE LYS 37 2HE LYS 37 -14.113 3.054 -1.056
274 1HZ LYS 37 1HZ LYS 37 -15.716 0.748 -1.981
275 2HZ LYS 37 2HZ LYS 37 -15.666 2.230 -2.810
276 3HZ LYS 37 3HZ LYS 37 -14.246 1.320 -2.611
277 H GLY 38 H GLY 38 -10.701 -1.658 0.159
278 1HA GLY 38 1HA GLY 38 -11.589 -3.716 -0.647
279 2HA GLY 38 2HA GLY 38 -11.773 -2.999 -2.247
280 H CYS 39 H CYS 39 -9.167 -1.930 -2.478
281 HA CYS 39 HA CYS 39 -7.704 -4.252 -3.378
282 1HB CYS 39 1HB CYS 39 -6.730 -1.414 -3.059
283 2HB CYS 39 2HB CYS 39 -6.080 -2.629 -4.122
284 H LYS 40 H LYS 40 -5.715 -4.927 -2.612
285 HA LYS 40 HA LYS 40 -5.101 -4.332 0.265
286 1HB LYS 40 1HB LYS 40 -4.834 -6.979 -1.215
287 2HB LYS 40 2HB LYS 40 -4.459 -6.708 0.480
288 1HG LYS 40 1HG LYS 40 -6.820 -6.106 0.929
289 2HG LYS 40 2HG LYS 40 -7.213 -6.278 -0.772
290 1HD LYS 40 1HD LYS 40 -6.527 -8.694 -0.657
291 2HD LYS 40 2HD LYS 40 -6.254 -8.505 1.066
292 1HE LYS 40 1HE LYS 40 -8.514 -9.446 0.623
293 2HE LYS 40 2HE LYS 40 -8.649 -7.867 1.377
294 1HZ LYS 40 1HZ LYS 40 -8.623 -8.076 -1.550
295 2HZ LYS 40 2HZ LYS 40 -10.047 -8.427 -0.693
296 3HZ LYS 40 3HZ LYS 40 -9.330 -6.893 -0.559
297 H TYR 41 H TYR 41 -3.306 -3.084 0.214
298 HA TYR 41 HA TYR 41 -1.289 -3.482 -1.839
299 1HB TYR 41 1HB TYR 41 -1.653 -1.368 0.312
300 2HB TYR 41 2HB TYR 41 -0.367 -1.385 -0.861
301 HD1 TYR 41 HD1 TYR 41 -4.002 -0.989 -0.408
302 HD2 TYR 41 HD2 TYR 41 -0.803 -0.885 -3.220
303 HE1 TYR 41 HE1 TYR 41 -5.470 0.088 -2.040
304 HE2 TYR 41 HE2 TYR 41 -2.278 0.191 -4.853
305 HH TYR 41 HH TYR 41 -4.896 1.735 -4.235
306 H PHE 42 H PHE 42 0.293 -4.801 -1.530
307 HA PHE 42 HA PHE 42 1.462 -5.281 1.137
308 1HB PHE 42 1HB PHE 42 2.266 -7.285 -0.810
309 2HB PHE 42 2HB PHE 42 1.385 -7.459 0.680
310 HD1 PHE 42 HD1 PHE 42 0.775 -6.438 -2.879
311 HD2 PHE 42 HD2 PHE 42 -0.715 -8.253 0.662
312 HE1 PHE 42 HE1 PHE 42 -1.293 -7.090 -4.071
313 HE2 PHE 42 HE2 PHE 42 -2.777 -8.907 -0.518
314 HZ PHE 42 HZ PHE 42 -3.059 -8.327 -2.878
315 H SER 43 H SER 43 3.608 -5.558 1.339
316 HA SER 43 HA SER 43 5.284 -3.801 -0.101
317 1HB SER 43 1HB SER 43 5.870 -5.916 2.011
318 2HB SER 43 2HB SER 43 6.940 -4.625 1.520
319 HG SER 43 HG SER 43 5.239 -3.147 2.029
320 H ASP 44 H ASP 44 7.563 -4.648 -0.367
321 HA ASP 44 HA ASP 44 7.551 -6.401 -2.715
322 1HB ASP 44 1HB ASP 44 9.030 -4.161 -1.970
323 2HB ASP 44 2HB ASP 44 10.186 -5.446 -1.698
324 H ASP 45 H ASP 45 8.904 -6.418 0.509
325 HA ASP 45 HA ASP 45 10.365 -8.890 0.239
326 1HB ASP 45 1HB ASP 45 10.673 -8.708 2.667
327 2HB ASP 45 2HB ASP 45 10.858 -7.120 1.949
328 H GLY 46 H GLY 46 7.101 -8.441 0.164
329 1HA GLY 46 1HA GLY 46 5.420 -9.964 0.114
330 2HA GLY 46 2HA GLY 46 6.535 -11.214 0.693
331 H THR 47 H THR 47 5.049 -8.195 1.771
332 HA THR 47 HA THR 47 3.987 -9.390 4.136
333 HB THR 47 HB THR 47 6.139 -7.220 4.192
334 HG1 THR 47 HG1 THR 47 6.883 -9.308 4.185
335 1HG2 THR 47 1HG2 THR 47 4.536 -8.380 6.564
336 2HG2 THR 47 2HG2 THR 47 5.824 -7.193 6.687
337 3HG2 THR 47 3HG2 THR 47 4.292 -6.751 5.956
338 H PHE 48 H PHE 48 2.012 -8.778 3.998
339 HA PHE 48 HA PHE 48 0.903 -6.686 2.518
340 1HB PHE 48 1HB PHE 48 -0.478 -8.505 3.217
341 2HB PHE 48 2HB PHE 48 -0.116 -8.232 4.913
342 HD1 PHE 48 HD1 PHE 48 -1.655 -6.483 1.948
343 HD2 PHE 48 HD2 PHE 48 -1.565 -6.937 6.188
344 HE1 PHE 48 HE1 PHE 48 -3.581 -4.975 2.159
345 HE2 PHE 48 HE2 PHE 48 -3.484 -5.432 6.390
346 HZ PHE 48 HZ PHE 48 -4.486 -4.453 4.391
347 H VAL 49 H VAL 49 0.478 -4.630 2.809
348 HA VAL 49 HA VAL 49 1.391 -3.302 5.326
349 HB VAL 49 HB VAL 49 0.885 -2.045 2.581
350 1HG1 VAL 49 1HG1 VAL 49 2.278 -0.964 5.075
351 2HG1 VAL 49 2HG1 VAL 49 2.151 -0.125 3.542
352 3HG1 VAL 49 3HG1 VAL 49 0.710 -0.435 4.490
353 1HG2 VAL 49 1HG2 VAL 49 3.474 -2.885 3.945
354 2HG2 VAL 49 2HG2 VAL 49 2.766 -3.663 2.536
355 3HG2 VAL 49 3HG2 VAL 49 3.377 -2.024 2.421
356 H CYS 50 H CYS 50 -1.212 -2.581 2.868
357 HA CYS 50 HA CYS 50 -3.238 -2.670 4.978
358 1HB CYS 50 1HB CYS 50 -3.577 -0.481 5.488
359 2HB CYS 50 2HB CYS 50 -1.897 -0.312 5.071
360 H GLU 51 H GLU 51 -5.433 -2.150 4.110
361 HA GLU 51 HA GLU 51 -5.513 -2.664 1.223
362 1HB GLU 51 1HB GLU 51 -8.047 -2.533 2.867
363 2HB GLU 51 2HB GLU 51 -7.578 -3.658 1.622
364 1HG GLU 51 1HG GLU 51 -6.111 -4.841 3.175
365 2HG GLU 51 2HG GLU 51 -6.546 -3.720 4.466
366 H GLY 52 H GLY 52 -4.605 -0.340 1.500
367 1HA GLY 52 1HA GLY 52 -4.864 1.984 1.315
368 2HA GLY 52 2HA GLY 52 -5.829 1.476 -0.053
369 H GLU 53 H GLU 53 -7.460 2.842 -0.049
370 HA GLU 53 HA GLU 53 -9.837 2.869 0.983
371 1HB GLU 53 1HB GLU 53 -8.083 3.996 3.212
372 2HB GLU 53 2HB GLU 53 -9.670 4.685 2.986
373 1HG GLU 53 1HG GLU 53 -10.818 2.652 3.337
374 2HG GLU 53 2HG GLU 53 -9.383 1.665 3.243
375 H SER 54 H SER 54 -9.434 3.824 -1.210
376 HA SER 54 HA SER 54 -8.539 6.521 -1.507
377 1HB SER 54 1HB SER 54 -8.776 5.156 -3.517
378 2HB SER 54 2HB SER 54 -10.519 4.958 -3.245
379 HG SER 54 HG SER 54 -9.354 7.515 -3.318
Start of MODEL 17
1 1H MET 1 1H MET 1 -9.819 12.127 7.019
2 2H MET 1 2H MET 1 -8.855 12.149 8.418
3 3H MET 1 3H MET 1 -9.351 13.609 7.704
4 HA MET 1 HA MET 1 -7.092 13.249 7.165
5 1HB MET 1 1HB MET 1 -7.882 10.503 7.105
6 2HB MET 1 2HB MET 1 -7.399 10.861 5.462
7 1HG MET 1 1HG MET 1 -5.762 11.344 7.961
8 2HG MET 1 2HG MET 1 -5.496 10.084 6.790
9 1HE MET 1 1HE MET 1 -5.406 11.002 4.064
10 2HE MET 1 2HE MET 1 -3.810 11.696 3.857
11 3HE MET 1 3HE MET 1 -3.983 10.226 4.802
12 H LYS 2 H LYS 2 -6.679 14.572 5.551
13 HA LYS 2 HA LYS 2 -8.553 15.304 3.592
14 1HB LYS 2 1HB LYS 2 -6.692 16.710 4.559
15 2HB LYS 2 2HB LYS 2 -5.532 15.736 3.685
16 1HG LYS 2 1HG LYS 2 -5.974 17.835 2.504
17 2HG LYS 2 2HG LYS 2 -6.498 16.481 1.529
18 1HD LYS 2 1HD LYS 2 -8.854 16.847 2.267
19 2HD LYS 2 2HD LYS 2 -8.329 18.122 3.353
20 1HE LYS 2 1HE LYS 2 -9.216 19.048 1.296
21 2HE LYS 2 2HE LYS 2 -7.483 19.377 1.400
22 1HZ LYS 2 1HZ LYS 2 -8.333 16.935 0.041
23 2HZ LYS 2 2HZ LYS 2 -8.573 18.408 -0.769
24 3HZ LYS 2 3HZ LYS 2 -7.013 17.952 -0.277
25 H ALA 3 H ALA 3 -8.260 15.237 1.265
26 HA ALA 3 HA ALA 3 -8.306 12.793 0.111
27 1HB ALA 3 1HB ALA 3 -8.996 14.855 -1.032
28 2HB ALA 3 2HB ALA 3 -7.322 15.375 -1.154
29 3HB ALA 3 3HB ALA 3 -7.875 13.972 -2.057
30 H CYS 4 H CYS 4 -6.889 11.306 -0.716
31 HA CYS 4 HA CYS 4 -4.204 11.243 0.186
32 1HB CYS 4 1HB CYS 4 -5.333 9.705 -2.138
33 2HB CYS 4 2HB CYS 4 -4.002 9.268 -1.121
34 H THR 5 H THR 5 -2.281 11.119 -1.053
35 HA THR 5 HA THR 5 -2.074 13.199 -3.099
36 HB THR 5 HB THR 5 0.252 11.535 -1.941
37 HG1 THR 5 HG1 THR 5 -1.391 13.530 -0.769
38 1HG2 THR 5 1HG2 THR 5 -0.198 14.519 -2.417
39 2HG2 THR 5 2HG2 THR 5 1.327 13.748 -1.994
40 3HG2 THR 5 3HG2 THR 5 0.625 13.500 -3.589
41 H LEU 6 H LEU 6 0.132 12.096 -4.472
42 HA LEU 6 HA LEU 6 -0.943 9.669 -5.836
43 1HB LEU 6 1HB LEU 6 0.195 12.170 -7.169
44 2HB LEU 6 2HB LEU 6 -0.284 10.717 -8.021
45 HG LEU 6 HG LEU 6 -2.203 12.445 -6.374
46 1HD1 LEU 6 1HD1 LEU 6 -1.813 12.257 -9.395
47 2HD1 LEU 6 2HD1 LEU 6 -3.059 13.192 -8.583
48 3HD1 LEU 6 3HD1 LEU 6 -1.372 13.632 -8.396
49 1HD2 LEU 6 1HD2 LEU 6 -2.733 10.159 -8.339
50 2HD2 LEU 6 2HD2 LEU 6 -2.918 10.040 -6.598
51 3HD2 LEU 6 3HD2 LEU 6 -3.961 11.104 -7.515
52 H ASN 7 H ASN 7 1.423 10.748 -4.002
53 HA ASN 7 HA ASN 7 3.811 10.259 -5.293
54 1HB ASN 7 1HB ASN 7 3.195 9.814 -2.336
55 2HB ASN 7 2HB ASN 7 4.778 10.106 -3.026
56 1HD2 ASN 7 2HD2 ASN 7 3.592 12.199 -4.943
57 2HD2 ASN 7 1HD2 ASN 7 3.351 13.557 -3.954
58 H CYS 8 H CYS 8 5.308 8.492 -4.163
59 HA CYS 8 HA CYS 8 4.117 5.775 -4.734
60 1HB CYS 8 1HB CYS 8 6.876 6.957 -4.917
61 2HB CYS 8 2HB CYS 8 6.656 5.265 -4.787
62 H ASP 9 H ASP 9 4.708 4.240 -3.154
63 HA ASP 9 HA ASP 9 5.672 5.320 -0.525
64 1HB ASP 9 1HB ASP 9 3.275 4.908 -0.733
65 2HB ASP 9 2HB ASP 9 3.564 3.189 -0.930
66 HA PRO 10 HA PRO 10 8.762 2.392 -1.822
67 1HB PRO 10 1HB PRO 10 10.449 2.703 0.437
68 2HB PRO 10 2HB PRO 10 10.529 3.603 -1.069
69 1HG PRO 10 1HG PRO 10 9.463 4.450 1.547
70 2HG PRO 10 2HG PRO 10 10.004 5.438 0.198
71 1HD PRO 10 1HD PRO 10 7.317 5.000 0.935
72 2HD PRO 10 2HD PRO 10 7.858 5.650 -0.624
73 H ARG 11 H ARG 11 7.248 2.179 1.258
74 HA ARG 11 HA ARG 11 8.247 -0.473 1.945
75 1HB ARG 11 1HB ARG 11 6.726 -0.393 3.800
76 2HB ARG 11 2HB ARG 11 7.366 1.231 3.609
77 1HG ARG 11 1HG ARG 11 5.340 1.711 2.135
78 2HG ARG 11 2HG ARG 11 4.709 0.167 2.659
79 1HD ARG 11 1HD ARG 11 4.674 0.885 4.991
80 2HD ARG 11 2HD ARG 11 5.318 2.472 4.516
81 HE ARG 11 HE ARG 11 3.194 1.856 2.805
82 1HH1 ARG 11 1HH1 ARG 11 3.724 2.539 6.157
83 2HH1 ARG 11 2HH1 ARG 11 2.154 3.226 6.402
84 1HH2 ARG 11 1HH2 ARG 11 1.181 2.730 3.082
85 2HH2 ARG 11 2HH2 ARG 11 0.683 3.335 4.627
86 H ILE 12 H ILE 12 5.606 0.842 0.137
87 HA ILE 12 HA ILE 12 4.188 -1.728 -0.114
88 HB ILE 12 HB ILE 12 3.621 0.960 -1.390
89 1HG1 ILE 12 1HG1 ILE 12 2.541 -0.541 1.038
90 2HG1 ILE 12 2HG1 ILE 12 3.408 0.984 1.047
91 1HG2 ILE 12 1HG2 ILE 12 2.717 -0.985 -2.732
92 2HG2 ILE 12 2HG2 ILE 12 1.946 -1.616 -1.287
93 3HG2 ILE 12 3HG2 ILE 12 1.420 -0.093 -1.988
94 1HD1 ILE 12 1HD1 ILE 12 1.563 2.035 -0.195
95 2HD1 ILE 12 2HD1 ILE 12 0.674 0.512 -0.135
96 3HD1 ILE 12 3HD1 ILE 12 1.056 1.358 1.355
97 H ALA 13 H ALA 13 4.193 -2.948 -1.832
98 HA ALA 13 HA ALA 13 6.187 -2.468 -4.002
99 1HB ALA 13 1HB ALA 13 4.691 -5.010 -3.188
100 2HB ALA 13 2HB ALA 13 5.931 -4.915 -4.419
101 3HB ALA 13 3HB ALA 13 6.339 -4.589 -2.750
102 H TYR 14 H TYR 14 2.981 -3.822 -3.474
103 HA TYR 14 HA TYR 14 1.716 -2.206 -5.522
104 1HB TYR 14 1HB TYR 14 1.172 -4.158 -7.048
105 2HB TYR 14 2HB TYR 14 2.872 -3.761 -6.978
106 HD1 TYR 14 HD1 TYR 14 4.452 -5.236 -5.868
107 HD2 TYR 14 HD2 TYR 14 0.326 -6.240 -6.062
108 HE1 TYR 14 HE1 TYR 14 4.994 -7.513 -5.245
109 HE2 TYR 14 HE2 TYR 14 0.857 -8.529 -5.436
110 HH TYR 14 HH TYR 14 3.001 -9.621 -4.036
111 H GLY 15 H GLY 15 -0.398 -3.787 -6.123
112 1HA GLY 15 1HA GLY 15 -1.502 -5.038 -3.771
113 2HA GLY 15 2HA GLY 15 -2.158 -3.425 -4.023
114 H VAL 16 H VAL 16 -3.758 -5.520 -3.958
115 HA VAL 16 HA VAL 16 -4.704 -5.804 -6.786
116 HB VAL 16 HB VAL 16 -5.011 -7.950 -4.625
117 1HG1 VAL 16 1HG1 VAL 16 -5.352 -7.951 -7.664
118 2HG1 VAL 16 2HG1 VAL 16 -5.605 -9.349 -6.629
119 3HG1 VAL 16 3HG1 VAL 16 -6.682 -7.969 -6.522
120 1HG2 VAL 16 1HG2 VAL 16 -2.586 -7.643 -5.293
121 2HG2 VAL 16 2HG2 VAL 16 -3.219 -9.173 -5.864
122 3HG2 VAL 16 3HG2 VAL 16 -3.039 -7.823 -6.971
123 H CYS 17 H CYS 17 -6.598 -5.045 -7.124
124 HA CYS 17 HA CYS 17 -8.493 -4.548 -4.869
125 1HB CYS 17 1HB CYS 17 -8.329 -3.101 -7.519
126 2HB CYS 17 2HB CYS 17 -9.283 -2.631 -6.150
127 HA PRO 18 HA PRO 18 -11.769 -6.594 -7.331
128 1HB PRO 18 1HB PRO 18 -13.590 -4.351 -6.963
129 2HB PRO 18 2HB PRO 18 -13.691 -5.964 -6.277
130 1HG PRO 18 1HG PRO 18 -12.991 -3.549 -4.916
131 2HG PRO 18 2HG PRO 18 -12.999 -5.175 -4.254
132 1HD PRO 18 1HD PRO 18 -10.703 -3.527 -4.921
133 2HD PRO 18 2HD PRO 18 -10.705 -5.130 -4.171
134 H ARG 19 H ARG 19 -12.509 -6.323 -9.447
135 HA ARG 19 HA ARG 19 -12.363 -5.592 -11.661
136 1HB ARG 19 1HB ARG 19 -12.430 -2.764 -10.506
137 2HB ARG 19 2HB ARG 19 -13.038 -3.301 -12.059
138 1HG ARG 19 1HG ARG 19 -14.794 -4.645 -10.935
139 2HG ARG 19 2HG ARG 19 -14.188 -4.154 -9.360
140 1HD ARG 19 1HD ARG 19 -14.621 -1.788 -9.909
141 2HD ARG 19 2HD ARG 19 -15.241 -2.268 -11.493
142 HE ARG 19 HE ARG 19 -16.659 -3.740 -9.523
143 1HH1 ARG 19 1HH1 ARG 19 -16.234 -0.478 -10.607
144 2HH1 ARG 19 2HH1 ARG 19 -17.819 0.014 -10.114
145 1HH2 ARG 19 1HH2 ARG 19 -18.671 -3.141 -8.890
146 2HH2 ARG 19 2HH2 ARG 19 -19.221 -1.515 -9.127
147 H SER 20 H SER 20 -10.038 -6.171 -10.369
148 HA SER 20 HA SER 20 -8.002 -4.973 -12.028
149 1HB SER 20 1HB SER 20 -7.806 -4.691 -8.956
150 2HB SER 20 2HB SER 20 -6.540 -4.252 -10.106
151 HG SER 20 HG SER 20 -8.201 -2.889 -11.098
152 H GLU 21 H GLU 21 -7.288 -6.812 -12.684
153 HA GLU 21 HA GLU 21 -7.498 -9.290 -11.285
154 1HB GLU 21 1HB GLU 21 -5.976 -8.553 -13.824
155 2HB GLU 21 2HB GLU 21 -6.229 -10.203 -13.275
156 1HG GLU 21 1HG GLU 21 -8.700 -9.871 -13.414
157 2HG GLU 21 2HG GLU 21 -8.451 -8.221 -13.962
158 H GLU 22 H GLU 22 -4.376 -9.153 -12.719
159 HA GLU 22 HA GLU 22 -2.237 -9.231 -11.835
160 1HB GLU 22 1HB GLU 22 -3.344 -6.940 -10.733
161 2HB GLU 22 2HB GLU 22 -2.878 -7.792 -9.280
162 1HG GLU 22 1HG GLU 22 -0.554 -8.070 -10.289
163 2HG GLU 22 2HG GLU 22 -1.066 -7.030 -11.610
164 H LYS 23 H LYS 23 -1.547 -11.149 -11.151
165 HA LYS 23 HA LYS 23 -2.892 -12.708 -9.157
166 1HB LYS 23 1HB LYS 23 -0.353 -12.910 -10.773
167 2HB LYS 23 2HB LYS 23 -0.385 -13.882 -9.325
168 1HG LYS 23 1HG LYS 23 -2.485 -13.961 -11.534
169 2HG LYS 23 2HG LYS 23 -1.188 -15.116 -11.357
170 1HD LYS 23 1HD LYS 23 -3.477 -14.682 -9.366
171 2HD LYS 23 2HD LYS 23 -3.285 -16.037 -10.450
172 1HE LYS 23 1HE LYS 23 -1.397 -15.358 -8.150
173 2HE LYS 23 2HE LYS 23 -2.551 -16.678 -8.202
174 1HZ LYS 23 1HZ LYS 23 -1.347 -17.456 -10.233
175 2HZ LYS 23 2HZ LYS 23 -0.132 -16.333 -9.853
176 3HZ LYS 23 3HZ LYS 23 -0.499 -17.588 -8.768
177 H LYS 24 H LYS 24 0.522 -11.938 -8.923
178 HA LYS 24 HA LYS 24 0.522 -10.105 -6.779
179 1HB LYS 24 1HB LYS 24 -0.509 -11.996 -5.430
180 2HB LYS 24 2HB LYS 24 0.775 -13.070 -5.944
181 1HG LYS 24 1HG LYS 24 2.420 -11.714 -4.663
182 2HG LYS 24 2HG LYS 24 1.157 -10.561 -4.257
183 1HD LYS 24 1HD LYS 24 -0.062 -12.412 -3.065
184 2HD LYS 24 2HD LYS 24 1.278 -13.488 -3.424
185 1HE LYS 24 1HE LYS 24 1.465 -10.909 -1.798
186 2HE LYS 24 2HE LYS 24 1.525 -12.540 -1.147
187 1HZ LYS 24 1HZ LYS 24 3.495 -12.887 -2.637
188 2HZ LYS 24 2HZ LYS 24 3.497 -11.207 -2.890
189 3HZ LYS 24 3HZ LYS 24 3.723 -11.829 -1.326
190 H ASN 25 H ASN 25 1.831 -9.945 -8.898
191 HA ASN 25 HA ASN 25 4.623 -10.237 -8.243
192 1HB ASN 25 1HB ASN 25 3.411 -12.489 -9.541
193 2HB ASN 25 2HB ASN 25 4.328 -11.708 -10.806
194 1HD2 ASN 25 2HD2 ASN 25 4.566 -13.353 -7.706
195 2HD2 ASN 25 1HD2 ASN 25 6.254 -13.540 -7.728
196 H ASP 26 H ASP 26 3.575 -8.007 -8.600
197 HA ASP 26 HA ASP 26 4.750 -6.871 -11.033
198 1HB ASP 26 1HB ASP 26 2.607 -7.231 -12.056
199 2HB ASP 26 2HB ASP 26 1.747 -7.011 -10.547
200 H ARG 27 H ARG 27 6.005 -5.457 -9.918
201 HA ARG 27 HA ARG 27 5.027 -4.138 -7.493
202 1HB ARG 27 1HB ARG 27 7.185 -5.130 -7.280
203 2HB ARG 27 2HB ARG 27 7.735 -4.476 -8.800
204 1HG ARG 27 1HG ARG 27 7.003 -2.290 -6.979
205 2HG ARG 27 2HG ARG 27 8.115 -3.369 -6.192
206 1HD ARG 27 1HD ARG 27 9.526 -1.767 -7.240
207 2HD ARG 27 2HD ARG 27 9.601 -3.157 -8.299
208 HE ARG 27 HE ARG 27 8.398 -1.977 -9.943
209 1HH1 ARG 27 1HH1 ARG 27 8.489 -0.237 -6.939
210 2HH1 ARG 27 2HH1 ARG 27 7.890 1.226 -7.644
211 1HH2 ARG 27 1HH2 ARG 27 7.635 -0.140 -10.844
212 2HH2 ARG 27 2HH2 ARG 27 7.397 1.284 -9.886
213 H ILE 28 H ILE 28 3.833 -2.643 -7.899
214 HA ILE 28 HA ILE 28 4.065 -0.652 -9.970
215 HB ILE 28 HB ILE 28 2.111 -0.612 -7.684
216 1HG1 ILE 28 1HG1 ILE 28 1.602 -2.238 -10.236
217 2HG1 ILE 28 2HG1 ILE 28 2.262 -3.048 -8.847
218 1HG2 ILE 28 1HG2 ILE 28 1.866 0.029 -10.630
219 2HG2 ILE 28 2HG2 ILE 28 0.572 0.210 -9.449
220 3HG2 ILE 28 3HG2 ILE 28 1.994 1.215 -9.341
221 1HD1 ILE 28 1HD1 ILE 28 0.282 -2.307 -7.500
222 2HD1 ILE 28 2HD1 ILE 28 -0.422 -1.624 -8.955
223 3HD1 ILE 28 3HD1 ILE 28 -0.125 -3.350 -8.843
224 H CYS 29 H CYS 29 3.416 1.685 -8.652
225 HA CYS 29 HA CYS 29 5.127 2.068 -6.283
226 1HB CYS 29 1HB CYS 29 6.431 2.244 -8.460
227 2HB CYS 29 2HB CYS 29 5.435 3.593 -8.868
228 H THR 30 H THR 30 3.272 2.563 -5.214
229 HA THR 30 HA THR 30 2.043 5.190 -5.726
230 HB THR 30 HB THR 30 0.638 3.607 -7.090
231 HG1 THR 30 HG1 THR 30 -0.199 5.285 -5.426
232 1HG2 THR 30 1HG2 THR 30 0.156 2.196 -4.413
233 2HG2 THR 30 2HG2 THR 30 -0.623 1.799 -5.939
234 3HG2 THR 30 3HG2 THR 30 1.095 1.513 -5.727
235 H ASN 31 H ASN 31 0.068 5.177 -3.854
236 HA ASN 31 HA ASN 31 1.488 4.502 -1.321
237 1HB ASN 31 1HB ASN 31 -0.609 6.675 -1.699
238 2HB ASN 31 2HB ASN 31 0.436 6.469 -0.312
239 1HD2 ASN 31 2HD2 ASN 31 0.040 8.628 -2.468
240 2HD2 ASN 31 1HD2 ASN 31 1.638 9.023 -2.869
241 H CYS 32 H CYS 32 0.123 4.228 0.560
242 HA CYS 32 HA CYS 32 -1.778 2.117 0.192
243 1HB CYS 32 1HB CYS 32 -0.648 2.181 2.309
244 2HB CYS 32 2HB CYS 32 -1.058 3.858 2.574
245 H CYS 33 H CYS 33 -2.178 5.417 1.326
246 HA CYS 33 HA CYS 33 -4.995 5.529 1.439
247 1HB CYS 33 1HB CYS 33 -3.344 7.165 2.375
248 2HB CYS 33 2HB CYS 33 -3.060 7.761 0.769
249 H ALA 34 H ALA 34 -2.768 6.427 -1.131
250 HA ALA 34 HA ALA 34 -4.566 7.357 -3.080
251 1HB ALA 34 1HB ALA 34 -2.110 7.561 -3.282
252 2HB ALA 34 2HB ALA 34 -1.967 5.822 -3.489
253 3HB ALA 34 3HB ALA 34 -2.767 6.791 -4.716
254 H GLY 35 H GLY 35 -3.741 4.068 -2.213
255 1HA GLY 35 1HA GLY 35 -4.655 2.648 -4.379
256 2HA GLY 35 2HA GLY 35 -4.724 2.039 -2.729
257 H THR 36 H THR 36 -6.712 1.424 -4.698
258 HA THR 36 HA THR 36 -8.991 3.180 -4.195
259 HB THR 36 HB THR 36 -9.442 0.473 -5.402
260 HG1 THR 36 HG1 THR 36 -7.437 1.224 -6.275
261 1HG2 THR 36 1HG2 THR 36 -10.148 3.316 -6.312
262 2HG2 THR 36 2HG2 THR 36 -10.759 1.831 -7.020
263 3HG2 THR 36 3HG2 THR 36 -11.243 2.292 -5.401
264 H LYS 37 H LYS 37 -11.096 1.999 -3.641
265 HA LYS 37 HA LYS 37 -10.845 0.998 -0.930
266 1HB LYS 37 1HB LYS 37 -13.470 0.740 -2.356
267 2HB LYS 37 2HB LYS 37 -13.140 1.324 -0.739
268 1HG LYS 37 1HG LYS 37 -12.190 3.440 -1.743
269 2HG LYS 37 2HG LYS 37 -12.650 2.872 -3.335
270 1HD LYS 37 1HD LYS 37 -14.594 3.348 -1.043
271 2HD LYS 37 2HD LYS 37 -14.326 4.444 -2.381
272 1HE LYS 37 1HE LYS 37 -15.429 1.604 -2.620
273 2HE LYS 37 2HE LYS 37 -16.334 3.094 -2.811
274 1HZ LYS 37 1HZ LYS 37 -14.723 3.653 -4.630
275 2HZ LYS 37 2HZ LYS 37 -14.200 2.039 -4.549
276 3HZ LYS 37 3HZ LYS 37 -15.814 2.390 -4.948
277 H GLY 38 H GLY 38 -11.224 -0.970 -0.103
278 1HA GLY 38 1HA GLY 38 -11.587 -3.280 0.010
279 2HA GLY 38 2HA GLY 38 -12.161 -3.247 -1.648
280 H CYS 39 H CYS 39 -9.240 -1.771 -1.786
281 HA CYS 39 HA CYS 39 -7.945 -3.983 -3.061
282 1HB CYS 39 1HB CYS 39 -6.768 -1.389 -2.080
283 2HB CYS 39 2HB CYS 39 -6.066 -2.467 -3.244
284 H LYS 40 H LYS 40 -5.610 -4.397 -2.555
285 HA LYS 40 HA LYS 40 -5.031 -4.768 0.337
286 1HB LYS 40 1HB LYS 40 -4.984 -7.024 -1.745
287 2HB LYS 40 2HB LYS 40 -4.390 -7.154 -0.099
288 1HG LYS 40 1HG LYS 40 -6.709 -6.641 0.745
289 2HG LYS 40 2HG LYS 40 -7.276 -6.565 -0.912
290 1HD LYS 40 1HD LYS 40 -7.817 -8.760 -0.044
291 2HD LYS 40 2HD LYS 40 -6.565 -8.944 -1.253
292 1HE LYS 40 1HE LYS 40 -4.839 -9.122 0.537
293 2HE LYS 40 2HE LYS 40 -6.077 -8.873 1.761
294 1HZ LYS 40 1HZ LYS 40 -7.172 -10.879 0.983
295 2HZ LYS 40 2HZ LYS 40 -5.946 -11.115 -0.168
296 3HZ LYS 40 3HZ LYS 40 -5.582 -11.189 1.489
297 H TYR 41 H TYR 41 -3.381 -3.304 0.187
298 HA TYR 41 HA TYR 41 -1.363 -3.579 -1.918
299 1HB TYR 41 1HB TYR 41 -2.131 -1.472 0.115
300 2HB TYR 41 2HB TYR 41 -0.551 -1.418 -0.627
301 HD1 TYR 41 HD1 TYR 41 -3.653 -2.591 -2.420
302 HD2 TYR 41 HD2 TYR 41 -0.871 0.602 -1.893
303 HE1 TYR 41 HE1 TYR 41 -4.549 -1.485 -4.381
304 HE2 TYR 41 HE2 TYR 41 -1.802 1.702 -3.868
305 HH TYR 41 HH TYR 41 -3.292 1.622 -5.506
306 H PHE 42 H PHE 42 0.314 -4.823 -1.595
307 HA PHE 42 HA PHE 42 1.448 -5.179 1.117
308 1HB PHE 42 1HB PHE 42 2.230 -7.397 -0.467
309 2HB PHE 42 2HB PHE 42 1.107 -7.354 0.855
310 HD1 PHE 42 HD1 PHE 42 1.132 -6.644 -2.839
311 HD2 PHE 42 HD2 PHE 42 -1.000 -8.070 0.557
312 HE1 PHE 42 HE1 PHE 42 -0.739 -7.329 -4.283
313 HE2 PHE 42 HE2 PHE 42 -2.867 -8.755 -0.884
314 HZ PHE 42 HZ PHE 42 -2.739 -8.387 -3.297
315 H SER 43 H SER 43 3.561 -5.698 1.296
316 HA SER 43 HA SER 43 5.412 -4.092 -0.151
317 1HB SER 43 1HB SER 43 5.864 -6.313 1.886
318 2HB SER 43 2HB SER 43 6.960 -5.019 1.442
319 HG SER 43 HG SER 43 5.178 -3.571 2.017
320 H ASP 44 H ASP 44 7.554 -5.252 -0.576
321 HA ASP 44 HA ASP 44 7.071 -7.113 -2.816
322 1HB ASP 44 1HB ASP 44 8.823 -4.983 -2.488
323 2HB ASP 44 2HB ASP 44 9.893 -6.346 -2.230
324 H ASP 45 H ASP 45 8.578 -7.107 0.310
325 HA ASP 45 HA ASP 45 9.921 -9.657 0.042
326 1HB ASP 45 1HB ASP 45 10.267 -9.445 2.490
327 2HB ASP 45 2HB ASP 45 10.618 -7.925 1.690
328 H GLY 46 H GLY 46 6.686 -8.966 0.121
329 1HA GLY 46 1HA GLY 46 4.917 -10.390 0.117
330 2HA GLY 46 2HA GLY 46 5.952 -11.691 0.725
331 H THR 47 H THR 47 4.660 -8.547 1.722
332 HA THR 47 HA THR 47 3.564 -9.613 4.130
333 HB THR 47 HB THR 47 5.835 -7.571 4.107
334 HG1 THR 47 HG1 THR 47 5.358 -10.154 5.158
335 1HG2 THR 47 1HG2 THR 47 4.190 -8.563 6.526
336 2HG2 THR 47 2HG2 THR 47 5.552 -7.456 6.606
337 3HG2 THR 47 3HG2 THR 47 4.045 -6.939 5.873
338 H PHE 48 H PHE 48 1.646 -8.859 4.134
339 HA PHE 48 HA PHE 48 0.548 -6.778 2.606
340 1HB PHE 48 1HB PHE 48 -0.756 -8.596 3.612
341 2HB PHE 48 2HB PHE 48 -0.407 -7.994 5.220
342 HD1 PHE 48 HD1 PHE 48 -1.488 -5.965 6.059
343 HD2 PHE 48 HD2 PHE 48 -2.401 -7.432 2.161
344 HE1 PHE 48 HE1 PHE 48 -3.471 -4.530 5.983
345 HE2 PHE 48 HE2 PHE 48 -4.384 -5.992 2.093
346 HZ PHE 48 HZ PHE 48 -4.920 -4.537 4.005
347 H VAL 49 H VAL 49 0.422 -4.679 2.768
348 HA VAL 49 HA VAL 49 1.557 -3.332 5.186
349 HB VAL 49 HB VAL 49 1.013 -2.183 2.400
350 1HG1 VAL 49 1HG1 VAL 49 2.536 -1.022 4.783
351 2HG1 VAL 49 2HG1 VAL 49 2.393 -0.273 3.204
352 3HG1 VAL 49 3HG1 VAL 49 0.975 -0.458 4.212
353 1HG2 VAL 49 1HG2 VAL 49 3.618 -3.040 3.714
354 2HG2 VAL 49 2HG2 VAL 49 2.819 -3.884 2.398
355 3HG2 VAL 49 3HG2 VAL 49 3.477 -2.279 2.136
356 H CYS 50 H CYS 50 -1.178 -2.862 2.836
357 HA CYS 50 HA CYS 50 -3.044 -2.419 5.017
358 1HB CYS 50 1HB CYS 50 -3.246 -0.123 5.000
359 2HB CYS 50 2HB CYS 50 -1.590 -0.152 4.455
360 H GLU 51 H GLU 51 -4.975 -1.259 3.884
361 HA GLU 51 HA GLU 51 -5.519 -2.661 1.296
362 1HB GLU 51 1HB GLU 51 -7.043 -3.687 2.832
363 2HB GLU 51 2HB GLU 51 -7.193 -2.244 3.814
364 1HG GLU 51 1HG GLU 51 -8.750 -1.235 2.364
365 2HG GLU 51 2HG GLU 51 -8.309 -2.185 0.972
366 H GLY 52 H GLY 52 -6.097 -1.271 -0.300
367 1HA GLY 52 1HA GLY 52 -5.626 1.494 -0.137
368 2HA GLY 52 2HA GLY 52 -6.538 0.744 -1.424
369 H GLU 53 H GLU 53 -7.374 3.163 -0.893
370 HA GLU 53 HA GLU 53 -10.034 2.871 0.233
371 1HB GLU 53 1HB GLU 53 -9.669 4.698 1.977
372 2HB GLU 53 2HB GLU 53 -8.805 3.215 2.325
373 1HG GLU 53 1HG GLU 53 -6.728 4.183 1.301
374 2HG GLU 53 2HG GLU 53 -7.578 5.683 0.986
375 H SER 54 H SER 54 -9.509 3.367 -2.223
376 HA SER 54 HA SER 54 -10.300 4.702 -3.976
377 1HB SER 54 1HB SER 54 -11.905 5.826 -2.359
378 2HB SER 54 2HB SER 54 -10.655 7.025 -1.992
379 HG SER 54 HG SER 54 -11.467 6.355 -4.609
Start of MODEL 18
1 1H MET 1 1H MET 1 -6.532 4.276 -11.256
2 2H MET 1 2H MET 1 -7.587 3.606 -12.407
3 3H MET 1 3H MET 1 -6.964 5.171 -12.633
4 HA MET 1 HA MET 1 -9.195 5.370 -11.920
5 1HB MET 1 1HB MET 1 -8.554 3.045 -10.378
6 2HB MET 1 2HB MET 1 -8.911 4.284 -9.195
7 1HG MET 1 1HG MET 1 -10.671 3.406 -11.494
8 2HG MET 1 2HG MET 1 -10.940 3.083 -9.804
9 1HE MET 1 1HE MET 1 -10.788 5.345 -8.134
10 2HE MET 1 2HE MET 1 -12.239 6.301 -8.331
11 3HE MET 1 3HE MET 1 -12.376 4.550 -8.238
12 H LYS 2 H LYS 2 -9.897 6.934 -10.334
13 HA LYS 2 HA LYS 2 -7.835 8.859 -9.737
14 1HB LYS 2 1HB LYS 2 -10.226 9.391 -10.312
15 2HB LYS 2 2HB LYS 2 -10.723 8.772 -8.748
16 1HG LYS 2 1HG LYS 2 -9.361 10.470 -7.585
17 2HG LYS 2 2HG LYS 2 -8.701 11.034 -9.108
18 1HD LYS 2 1HD LYS 2 -11.665 11.147 -8.398
19 2HD LYS 2 2HD LYS 2 -10.556 12.486 -8.186
20 1HE LYS 2 1HE LYS 2 -10.057 12.435 -10.656
21 2HE LYS 2 2HE LYS 2 -11.252 11.160 -10.852
22 1HZ LYS 2 1HZ LYS 2 -11.975 13.690 -9.550
23 2HZ LYS 2 2HZ LYS 2 -11.951 13.554 -11.242
24 3HZ LYS 2 3HZ LYS 2 -12.973 12.556 -10.325
25 H ALA 3 H ALA 3 -6.864 9.323 -7.876
26 HA ALA 3 HA ALA 3 -7.490 8.634 -5.272
27 1HB ALA 3 1HB ALA 3 -5.423 6.781 -6.582
28 2HB ALA 3 2HB ALA 3 -5.777 6.813 -4.862
29 3HB ALA 3 3HB ALA 3 -6.986 6.247 -5.992
30 H CYS 4 H CYS 4 -5.411 8.674 -3.954
31 HA CYS 4 HA CYS 4 -4.305 11.112 -3.745
32 1HB CYS 4 1HB CYS 4 -3.462 8.414 -2.983
33 2HB CYS 4 2HB CYS 4 -2.155 9.535 -2.935
34 H THR 5 H THR 5 -1.733 11.385 -3.663
35 HA THR 5 HA THR 5 -0.900 12.462 -6.056
36 HB THR 5 HB THR 5 1.054 11.347 -3.960
37 HG1 THR 5 HG1 THR 5 -0.683 12.336 -2.930
38 1HG2 THR 5 1HG2 THR 5 1.907 12.756 -5.979
39 2HG2 THR 5 2HG2 THR 5 0.838 14.031 -5.427
40 3HG2 THR 5 3HG2 THR 5 2.168 13.498 -4.407
41 H LEU 6 H LEU 6 -1.087 9.168 -5.480
42 HA LEU 6 HA LEU 6 -0.598 7.297 -6.723
43 1HB LEU 6 1HB LEU 6 0.670 9.129 -8.814
44 2HB LEU 6 2HB LEU 6 0.056 7.512 -9.043
45 HG LEU 6 HG LEU 6 -1.662 9.938 -8.367
46 1HD1 LEU 6 1HD1 LEU 6 -0.765 9.991 -10.667
47 2HD1 LEU 6 2HD1 LEU 6 -1.367 8.365 -10.952
48 3HD1 LEU 6 3HD1 LEU 6 -2.493 9.686 -10.681
49 1HD2 LEU 6 1HD2 LEU 6 -2.477 7.069 -9.053
50 2HD2 LEU 6 2HD2 LEU 6 -2.623 7.797 -7.461
51 3HD2 LEU 6 3HD2 LEU 6 -3.581 8.411 -8.793
52 H ASN 7 H ASN 7 1.666 9.278 -5.412
53 HA ASN 7 HA ASN 7 4.100 8.419 -6.316
54 1HB ASN 7 1HB ASN 7 3.228 9.281 -3.534
55 2HB ASN 7 2HB ASN 7 4.915 9.101 -3.991
56 1HD2 ASN 7 2HD2 ASN 7 4.586 11.556 -3.276
57 2HD2 ASN 7 1HD2 ASN 7 4.301 12.637 -4.554
58 H CYS 8 H CYS 8 5.675 7.235 -5.028
59 HA CYS 8 HA CYS 8 4.639 4.535 -4.337
60 1HB CYS 8 1HB CYS 8 7.536 4.846 -4.586
61 2HB CYS 8 2HB CYS 8 6.459 3.690 -5.311
62 H ASP 9 H ASP 9 4.744 3.818 -2.328
63 HA ASP 9 HA ASP 9 5.913 5.541 -0.248
64 1HB ASP 9 1HB ASP 9 3.685 4.481 0.077
65 2HB ASP 9 2HB ASP 9 4.425 2.908 -0.084
66 HA PRO 10 HA PRO 10 9.837 3.689 -0.555
67 1HB PRO 10 1HB PRO 10 10.404 3.654 2.293
68 2HB PRO 10 2HB PRO 10 11.011 4.738 1.053
69 1HG PRO 10 1HG PRO 10 8.964 5.244 3.040
70 2HG PRO 10 2HG PRO 10 9.677 6.373 1.898
71 1HD PRO 10 1HD PRO 10 7.037 5.332 1.807
72 2HD PRO 10 2HD PRO 10 7.841 6.255 0.531
73 H ARG 11 H ARG 11 7.484 1.954 1.226
74 HA ARG 11 HA ARG 11 9.177 -0.484 0.993
75 1HB ARG 11 1HB ARG 11 8.088 -1.207 3.206
76 2HB ARG 11 2HB ARG 11 9.295 0.046 3.283
77 1HG ARG 11 1HG ARG 11 7.476 0.677 4.744
78 2HG ARG 11 2HG ARG 11 7.502 1.790 3.404
79 1HD ARG 11 1HD ARG 11 5.168 1.010 3.960
80 2HD ARG 11 2HD ARG 11 5.626 0.548 2.330
81 HE ARG 11 HE ARG 11 5.667 -1.674 2.974
82 1HH1 ARG 11 1HH1 ARG 11 5.588 0.405 5.748
83 2HH1 ARG 11 2HH1 ARG 11 5.346 -0.891 6.870
84 1HH2 ARG 11 1HH2 ARG 11 5.361 -3.358 4.417
85 2HH2 ARG 11 2HH2 ARG 11 5.216 -3.035 6.111
86 H ILE 12 H ILE 12 6.426 0.901 -0.108
87 HA ILE 12 HA ILE 12 4.713 -1.505 -0.080
88 HB ILE 12 HB ILE 12 4.445 1.247 -1.359
89 1HG1 ILE 12 1HG1 ILE 12 4.016 1.132 1.107
90 2HG1 ILE 12 2HG1 ILE 12 2.614 1.646 0.200
91 1HG2 ILE 12 1HG2 ILE 12 2.445 -1.035 -1.630
92 2HG2 ILE 12 2HG2 ILE 12 2.127 0.635 -2.070
93 3HG2 ILE 12 3HG2 ILE 12 3.352 -0.278 -2.924
94 1HD1 ILE 12 1HD1 ILE 12 3.084 -1.164 1.237
95 2HD1 ILE 12 2HD1 ILE 12 1.998 0.032 1.931
96 3HD1 ILE 12 3HD1 ILE 12 1.665 -0.635 0.345
97 H ALA 13 H ALA 13 4.257 -2.755 -1.872
98 HA ALA 13 HA ALA 13 6.197 -2.544 -4.144
99 1HB ALA 13 1HB ALA 13 4.705 -4.974 -3.088
100 2HB ALA 13 2HB ALA 13 5.838 -4.973 -4.427
101 3HB ALA 13 3HB ALA 13 6.399 -4.596 -2.810
102 H TYR 14 H TYR 14 2.958 -3.820 -3.471
103 HA TYR 14 HA TYR 14 1.745 -2.253 -5.599
104 1HB TYR 14 1HB TYR 14 1.240 -4.070 -7.173
105 2HB TYR 14 2HB TYR 14 2.969 -4.052 -6.896
106 HD1 TYR 14 HD1 TYR 14 3.924 -5.686 -5.147
107 HD2 TYR 14 HD2 TYR 14 0.026 -6.071 -6.806
108 HE1 TYR 14 HE1 TYR 14 3.882 -8.033 -4.490
109 HE2 TYR 14 HE2 TYR 14 -0.015 -8.423 -6.154
110 HH TYR 14 HH TYR 14 1.209 -9.831 -4.253
111 H GLY 15 H GLY 15 -0.429 -3.721 -6.192
112 1HA GLY 15 1HA GLY 15 -1.669 -4.828 -3.807
113 2HA GLY 15 2HA GLY 15 -2.287 -3.238 -4.234
114 H VAL 16 H VAL 16 -3.745 -5.603 -4.128
115 HA VAL 16 HA VAL 16 -4.705 -5.821 -6.941
116 HB VAL 16 HB VAL 16 -4.595 -8.162 -5.003
117 1HG1 VAL 16 1HG1 VAL 16 -5.043 -8.021 -8.045
118 2HG1 VAL 16 2HG1 VAL 16 -5.018 -9.495 -7.089
119 3HG1 VAL 16 3HG1 VAL 16 -6.302 -8.329 -6.859
120 1HG2 VAL 16 1HG2 VAL 16 -2.714 -7.509 -7.314
121 2HG2 VAL 16 2HG2 VAL 16 -2.279 -7.475 -5.616
122 3HG2 VAL 16 3HG2 VAL 16 -2.693 -8.997 -6.377
123 H CYS 17 H CYS 17 -6.882 -6.061 -7.211
124 HA CYS 17 HA CYS 17 -8.627 -5.898 -4.780
125 1HB CYS 17 1HB CYS 17 -8.093 -3.792 -6.571
126 2HB CYS 17 2HB CYS 17 -9.599 -4.440 -7.156
127 HA PRO 18 HA PRO 18 -11.135 -9.098 -6.335
128 1HB PRO 18 1HB PRO 18 -13.472 -7.385 -6.993
129 2HB PRO 18 2HB PRO 18 -13.366 -8.769 -5.908
130 1HG PRO 18 1HG PRO 18 -13.488 -6.149 -5.054
131 2HG PRO 18 2HG PRO 18 -12.775 -7.449 -4.108
132 1HD PRO 18 1HD PRO 18 -11.434 -5.232 -5.533
133 2HD PRO 18 2HD PRO 18 -10.793 -6.256 -4.232
134 H ARG 19 H ARG 19 -11.646 -10.198 -8.175
135 HA ARG 19 HA ARG 19 -11.581 -10.750 -10.428
136 1HB ARG 19 1HB ARG 19 -12.997 -8.065 -10.364
137 2HB ARG 19 2HB ARG 19 -12.419 -8.579 -11.927
138 1HG ARG 19 1HG ARG 19 -14.720 -9.343 -11.581
139 2HG ARG 19 2HG ARG 19 -13.639 -10.711 -11.718
140 1HD ARG 19 1HD ARG 19 -15.250 -11.064 -9.884
141 2HD ARG 19 2HD ARG 19 -13.631 -10.936 -9.208
142 HE ARG 19 HE ARG 19 -14.698 -8.330 -9.213
143 1HH1 ARG 19 1HH1 ARG 19 -15.399 -11.428 -7.826
144 2HH1 ARG 19 2HH1 ARG 19 -16.151 -10.755 -6.419
145 1HH2 ARG 19 1HH2 ARG 19 -15.648 -7.456 -7.437
146 2HH2 ARG 19 2HH2 ARG 19 -16.295 -8.475 -6.194
147 H SER 20 H SER 20 -9.341 -9.701 -9.100
148 HA SER 20 HA SER 20 -7.187 -8.971 -9.353
149 1HB SER 20 1HB SER 20 -6.078 -9.833 -11.466
150 2HB SER 20 2HB SER 20 -7.116 -11.042 -10.710
151 HG SER 20 HG SER 20 -7.668 -9.392 -12.932
152 H GLU 21 H GLU 21 -7.289 -6.810 -9.130
153 HA GLU 21 HA GLU 21 -7.309 -5.154 -11.535
154 1HB GLU 21 1HB GLU 21 -7.739 -4.254 -8.662
155 2HB GLU 21 2HB GLU 21 -7.996 -3.280 -10.093
156 1HG GLU 21 1HG GLU 21 -9.598 -5.703 -9.232
157 2HG GLU 21 2HG GLU 21 -10.171 -4.048 -9.275
158 H GLU 22 H GLU 22 -5.635 -3.855 -11.855
159 HA GLU 22 HA GLU 22 -3.476 -2.992 -11.824
160 1HB GLU 22 1HB GLU 22 -4.122 -1.952 -9.681
161 2HB GLU 22 2HB GLU 22 -3.797 -3.424 -8.793
162 1HG GLU 22 1HG GLU 22 -1.413 -3.294 -9.313
163 2HG GLU 22 2HG GLU 22 -1.672 -1.874 -10.315
164 H LYS 23 H LYS 23 -1.361 -3.717 -11.970
165 HA LYS 23 HA LYS 23 -0.903 -6.432 -12.446
166 1HB LYS 23 1HB LYS 23 0.828 -4.026 -12.061
167 2HB LYS 23 2HB LYS 23 1.657 -5.568 -11.931
168 1HG LYS 23 1HG LYS 23 0.597 -6.246 -14.138
169 2HG LYS 23 2HG LYS 23 -0.016 -4.616 -14.290
170 1HD LYS 23 1HD LYS 23 2.920 -5.421 -14.164
171 2HD LYS 23 2HD LYS 23 2.056 -4.931 -15.595
172 1HE LYS 23 1HE LYS 23 3.287 -2.996 -14.909
173 2HE LYS 23 2HE LYS 23 1.626 -2.677 -14.437
174 1HZ LYS 23 1HZ LYS 23 2.958 -4.027 -12.357
175 2HZ LYS 23 2HZ LYS 23 3.875 -2.685 -12.836
176 3HZ LYS 23 3HZ LYS 23 2.259 -2.480 -12.355
177 H LYS 24 H LYS 24 0.232 -8.028 -11.495
178 HA LYS 24 HA LYS 24 0.980 -7.914 -8.648
179 1HB LYS 24 1HB LYS 24 -0.475 -10.314 -8.651
180 2HB LYS 24 2HB LYS 24 -1.085 -8.810 -8.034
181 1HG LYS 24 1HG LYS 24 -2.189 -8.272 -10.155
182 2HG LYS 24 2HG LYS 24 -1.507 -9.695 -10.912
183 1HD LYS 24 1HD LYS 24 -3.289 -9.912 -8.469
184 2HD LYS 24 2HD LYS 24 -3.987 -9.757 -10.065
185 1HE LYS 24 1HE LYS 24 -3.893 -12.121 -9.578
186 2HE LYS 24 2HE LYS 24 -2.619 -11.817 -10.742
187 1HZ LYS 24 1HZ LYS 24 -1.876 -11.601 -7.944
188 2HZ LYS 24 2HZ LYS 24 -2.247 -13.155 -8.517
189 3HZ LYS 24 3HZ LYS 24 -1.018 -12.248 -9.260
190 H ASN 25 H ASN 25 2.632 -7.908 -10.533
191 HA ASN 25 HA ASN 25 4.288 -10.198 -10.281
192 1HB ASN 25 1HB ASN 25 2.365 -10.153 -12.577
193 2HB ASN 25 2HB ASN 25 4.019 -10.379 -13.084
194 1HD2 ASN 25 2HD2 ASN 25 5.216 -12.099 -11.481
195 2HD2 ASN 25 1HD2 ASN 25 4.318 -13.519 -11.232
196 H ASP 26 H ASP 26 4.261 -7.372 -10.000
197 HA ASP 26 HA ASP 26 6.741 -6.648 -11.238
198 1HB ASP 26 1HB ASP 26 4.159 -5.753 -12.459
199 2HB ASP 26 2HB ASP 26 5.247 -4.430 -12.101
200 H ARG 27 H ARG 27 7.659 -5.452 -9.768
201 HA ARG 27 HA ARG 27 6.237 -4.539 -7.383
202 1HB ARG 27 1HB ARG 27 8.560 -5.317 -7.101
203 2HB ARG 27 2HB ARG 27 9.136 -4.221 -8.344
204 1HG ARG 27 1HG ARG 27 8.575 -2.260 -6.923
205 2HG ARG 27 2HG ARG 27 7.872 -3.317 -5.719
206 1HD ARG 27 1HD ARG 27 10.304 -4.425 -5.710
207 2HD ARG 27 2HD ARG 27 10.781 -2.906 -6.440
208 HE ARG 27 HE ARG 27 9.991 -3.291 -3.685
209 1HH1 ARG 27 1HH1 ARG 27 9.990 -1.031 -6.312
210 2HH1 ARG 27 2HH1 ARG 27 9.931 0.351 -5.271
211 1HH2 ARG 27 1HH2 ARG 27 9.917 -1.566 -2.351
212 2HH2 ARG 27 2HH2 ARG 27 9.890 0.045 -2.990
213 H ILE 28 H ILE 28 4.766 -3.159 -8.288
214 HA ILE 28 HA ILE 28 5.329 -1.019 -10.062
215 HB ILE 28 HB ILE 28 3.023 -0.748 -8.181
216 1HG1 ILE 28 1HG1 ILE 28 3.084 -2.892 -10.420
217 2HG1 ILE 28 2HG1 ILE 28 3.078 -3.311 -8.732
218 1HG2 ILE 28 1HG2 ILE 28 3.324 0.772 -10.097
219 2HG2 ILE 28 2HG2 ILE 28 3.330 -0.601 -11.188
220 3HG2 ILE 28 3HG2 ILE 28 1.872 -0.166 -10.308
221 1HD1 ILE 28 1HD1 ILE 28 0.905 -2.274 -8.391
222 2HD1 ILE 28 2HD1 ILE 28 0.801 -1.900 -10.105
223 3HD1 ILE 28 3HD1 ILE 28 0.864 -3.567 -9.576
224 H CYS 29 H CYS 29 4.701 1.281 -9.276
225 HA CYS 29 HA CYS 29 6.207 1.941 -6.775
226 1HB CYS 29 1HB CYS 29 7.036 2.482 -9.252
227 2HB CYS 29 2HB CYS 29 5.894 3.781 -9.156
228 H THR 30 H THR 30 4.191 1.638 -5.727
229 HA THR 30 HA THR 30 2.333 3.965 -5.935
230 HB THR 30 HB THR 30 1.270 2.029 -7.112
231 HG1 THR 30 HG1 THR 30 0.192 2.323 -4.510
232 1HG2 THR 30 1HG2 THR 30 2.478 0.176 -5.807
233 2HG2 THR 30 2HG2 THR 30 1.502 0.588 -4.406
234 3HG2 THR 30 3HG2 THR 30 0.741 -0.045 -5.856
235 H ASN 31 H ASN 31 0.809 3.977 -3.940
236 HA ASN 31 HA ASN 31 2.290 3.153 -1.484
237 1HB ASN 31 1HB ASN 31 1.803 5.435 -0.512
238 2HB ASN 31 2HB ASN 31 2.750 5.565 -1.970
239 1HD2 ASN 31 2HD2 ASN 31 2.079 7.357 -3.060
240 2HD2 ASN 31 1HD2 ASN 31 0.464 7.861 -3.176
241 H CYS 32 H CYS 32 0.619 3.786 0.451
242 HA CYS 32 HA CYS 32 -1.481 1.889 0.206
243 1HB CYS 32 1HB CYS 32 -0.499 2.440 2.355
244 2HB CYS 32 2HB CYS 32 -1.072 4.089 2.246
245 H CYS 33 H CYS 33 -1.870 5.437 0.526
246 HA CYS 33 HA CYS 33 -4.691 5.400 0.079
247 1HB CYS 33 1HB CYS 33 -3.632 7.279 1.153
248 2HB CYS 33 2HB CYS 33 -2.648 7.575 -0.259
249 H ALA 34 H ALA 34 -2.121 5.210 -2.148
250 HA ALA 34 HA ALA 34 -3.341 6.324 -4.499
251 1HB ALA 34 1HB ALA 34 -1.368 4.003 -4.262
252 2HB ALA 34 2HB ALA 34 -1.685 4.906 -5.736
253 3HB ALA 34 3HB ALA 34 -0.902 5.692 -4.373
254 H GLY 35 H GLY 35 -3.365 3.271 -2.898
255 1HA GLY 35 1HA GLY 35 -4.864 1.744 -4.712
256 2HA GLY 35 2HA GLY 35 -4.697 1.385 -2.996
257 H THR 36 H THR 36 -7.120 0.766 -3.831
258 HA THR 36 HA THR 36 -8.827 3.012 -2.905
259 HB THR 36 HB THR 36 -9.977 1.046 -4.912
260 HG1 THR 36 HG1 THR 36 -9.119 2.463 -6.526
261 1HG2 THR 36 1HG2 THR 36 -11.375 3.002 -3.939
262 2HG2 THR 36 2HG2 THR 36 -10.205 4.096 -4.653
263 3HG2 THR 36 3HG2 THR 36 -11.184 3.066 -5.677
264 H LYS 37 H LYS 37 -11.113 2.042 -2.487
265 HA LYS 37 HA LYS 37 -10.973 0.394 -0.186
266 1HB LYS 37 1HB LYS 37 -13.558 0.408 -1.685
267 2HB LYS 37 2HB LYS 37 -13.255 0.662 0.019
268 1HG LYS 37 1HG LYS 37 -12.272 2.953 -0.613
269 2HG LYS 37 2HG LYS 37 -12.864 2.676 -2.239
270 1HD LYS 37 1HD LYS 37 -14.602 2.702 0.260
271 2HD LYS 37 2HD LYS 37 -14.453 4.027 -0.873
272 1HE LYS 37 1HE LYS 37 -15.372 2.569 -2.692
273 2HE LYS 37 2HE LYS 37 -15.560 1.258 -1.533
274 1HZ LYS 37 1HZ LYS 37 -16.842 3.912 -1.310
275 2HZ LYS 37 2HZ LYS 37 -17.598 2.493 -1.856
276 3HZ LYS 37 3HZ LYS 37 -17.049 2.600 -0.252
277 H GLY 38 H GLY 38 -11.306 -1.649 0.266
278 1HA GLY 38 1HA GLY 38 -11.720 -3.939 -0.018
279 2HA GLY 38 2HA GLY 38 -12.232 -3.625 -1.668
280 H CYS 39 H CYS 39 -9.511 -2.158 -2.005
281 HA CYS 39 HA CYS 39 -8.094 -4.494 -3.002
282 1HB CYS 39 1HB CYS 39 -7.048 -1.693 -2.892
283 2HB CYS 39 2HB CYS 39 -6.656 -2.955 -4.011
284 H LYS 40 H LYS 40 -6.180 -5.239 -2.345
285 HA LYS 40 HA LYS 40 -5.190 -4.446 0.359
286 1HB LYS 40 1HB LYS 40 -5.123 -7.108 -1.110
287 2HB LYS 40 2HB LYS 40 -4.131 -6.800 0.295
288 1HG LYS 40 1HG LYS 40 -6.126 -7.990 0.978
289 2HG LYS 40 2HG LYS 40 -6.155 -6.384 1.664
290 1HD LYS 40 1HD LYS 40 -7.800 -5.626 0.053
291 2HD LYS 40 2HD LYS 40 -7.655 -7.097 -0.897
292 1HE LYS 40 1HE LYS 40 -8.662 -6.915 1.982
293 2HE LYS 40 2HE LYS 40 -9.684 -7.105 0.564
294 1HZ LYS 40 1HZ LYS 40 -8.270 -9.159 0.113
295 2HZ LYS 40 2HZ LYS 40 -7.775 -9.019 1.731
296 3HZ LYS 40 3HZ LYS 40 -9.418 -9.238 1.363
297 H TYR 41 H TYR 41 -3.313 -3.428 0.371
298 HA TYR 41 HA TYR 41 -1.453 -3.724 -1.907
299 1HB TYR 41 1HB TYR 41 -2.256 -1.424 -0.120
300 2HB TYR 41 2HB TYR 41 -0.638 -1.438 -0.785
301 HD1 TYR 41 HD1 TYR 41 -4.213 -1.974 -1.851
302 HD2 TYR 41 HD2 TYR 41 -0.343 -0.586 -2.984
303 HE1 TYR 41 HE1 TYR 41 -5.098 -1.235 -4.012
304 HE2 TYR 41 HE2 TYR 41 -1.248 0.150 -5.138
305 HH TYR 41 HH TYR 41 -3.548 -0.774 -6.573
306 H PHE 42 H PHE 42 0.288 -4.719 -1.549
307 HA PHE 42 HA PHE 42 1.403 -5.065 1.163
308 1HB PHE 42 1HB PHE 42 2.257 -7.224 -0.513
309 2HB PHE 42 2HB PHE 42 1.173 -7.263 0.848
310 HD1 PHE 42 HD1 PHE 42 1.098 -6.374 -2.790
311 HD2 PHE 42 HD2 PHE 42 -0.999 -8.027 0.532
312 HE1 PHE 42 HE1 PHE 42 -0.783 -6.944 -4.247
313 HE2 PHE 42 HE2 PHE 42 -2.878 -8.601 -0.941
314 HZ PHE 42 HZ PHE 42 -2.769 -8.058 -3.343
315 H SER 43 H SER 43 3.529 -5.436 1.397
316 HA SER 43 HA SER 43 5.319 -3.745 -0.076
317 1HB SER 43 1HB SER 43 5.538 -5.686 2.217
318 2HB SER 43 2HB SER 43 6.925 -4.823 1.615
319 HG SER 43 HG SER 43 6.220 -3.268 2.825
320 H ASP 44 H ASP 44 7.534 -4.869 -0.176
321 HA ASP 44 HA ASP 44 7.348 -6.755 -2.440
322 1HB ASP 44 1HB ASP 44 8.980 -4.565 -1.955
323 2HB ASP 44 2HB ASP 44 10.065 -5.884 -1.560
324 H ASP 45 H ASP 45 8.324 -6.819 0.865
325 HA ASP 45 HA ASP 45 9.893 -9.253 0.726
326 1HB ASP 45 1HB ASP 45 9.858 -9.182 3.151
327 2HB ASP 45 2HB ASP 45 9.978 -7.519 2.607
328 H GLY 46 H GLY 46 6.653 -8.668 0.282
329 1HA GLY 46 1HA GLY 46 4.953 -10.100 -0.182
330 2HA GLY 46 2HA GLY 46 5.936 -11.460 0.399
331 H THR 47 H THR 47 4.435 -8.473 1.621
332 HA THR 47 HA THR 47 3.052 -9.869 3.686
333 HB THR 47 HB THR 47 5.162 -7.742 4.273
334 HG1 THR 47 HG1 THR 47 6.111 -9.682 4.030
335 1HG2 THR 47 1HG2 THR 47 3.428 -9.374 6.237
336 2HG2 THR 47 2HG2 THR 47 4.651 -8.198 6.696
337 3HG2 THR 47 3HG2 THR 47 3.173 -7.665 5.917
338 H PHE 48 H PHE 48 1.171 -8.975 4.001
339 HA PHE 48 HA PHE 48 0.186 -6.775 2.474
340 1HB PHE 48 1HB PHE 48 -1.328 -8.503 3.174
341 2HB PHE 48 2HB PHE 48 -0.898 -8.301 4.862
342 HD1 PHE 48 HD1 PHE 48 -2.555 -6.559 1.988
343 HD2 PHE 48 HD2 PHE 48 -2.030 -6.729 6.216
344 HE1 PHE 48 HE1 PHE 48 -4.359 -4.921 2.291
345 HE2 PHE 48 HE2 PHE 48 -3.831 -5.094 6.507
346 HZ PHE 48 HZ PHE 48 -4.998 -4.193 4.554
347 H VAL 49 H VAL 49 0.274 -4.672 2.798
348 HA VAL 49 HA VAL 49 1.233 -3.662 5.444
349 HB VAL 49 HB VAL 49 1.086 -2.173 2.801
350 1HG1 VAL 49 1HG1 VAL 49 2.572 -1.575 5.405
351 2HG1 VAL 49 2HG1 VAL 49 2.684 -0.618 3.940
352 3HG1 VAL 49 3HG1 VAL 49 1.170 -0.699 4.817
353 1HG2 VAL 49 1HG2 VAL 49 3.402 -3.622 4.106
354 2HG2 VAL 49 2HG2 VAL 49 2.605 -4.091 2.619
355 3HG2 VAL 49 3HG2 VAL 49 3.495 -2.583 2.687
356 H CYS 50 H CYS 50 -1.181 -2.709 2.925
357 HA CYS 50 HA CYS 50 -3.063 -2.043 5.095
358 1HB CYS 50 1HB CYS 50 -3.122 0.247 4.868
359 2HB CYS 50 2HB CYS 50 -1.474 0.053 4.320
360 H GLU 51 H GLU 51 -5.165 -1.738 4.353
361 HA GLU 51 HA GLU 51 -5.630 -2.845 1.620
362 1HB GLU 51 1HB GLU 51 -6.926 -4.135 3.200
363 2HB GLU 51 2HB GLU 51 -7.291 -2.733 4.187
364 1HG GLU 51 1HG GLU 51 -8.892 -1.891 2.548
365 2HG GLU 51 2HG GLU 51 -8.399 -3.068 1.354
366 H GLY 52 H GLY 52 -5.930 -1.272 0.164
367 1HA GLY 52 1HA GLY 52 -6.057 1.475 0.603
368 2HA GLY 52 2HA GLY 52 -6.673 0.700 -0.850
369 H GLU 53 H GLU 53 -7.769 2.998 0.337
370 HA GLU 53 HA GLU 53 -10.567 2.242 0.574
371 1HB GLU 53 1HB GLU 53 -9.573 1.939 2.950
372 2HB GLU 53 2HB GLU 53 -9.232 3.659 2.946
373 1HG GLU 53 1HG GLU 53 -11.643 4.168 2.675
374 2HG GLU 53 2HG GLU 53 -12.011 2.455 2.545
375 H SER 54 H SER 54 -9.606 3.340 -1.329
376 HA SER 54 HA SER 54 -9.937 5.082 -2.831
377 1HB SER 54 1HB SER 54 -10.767 6.841 -0.432
378 2HB SER 54 2HB SER 54 -11.016 7.188 -2.138
379 HG SER 54 HG SER 54 -11.986 4.933 -2.106
Start of MODEL 19
1 1H MET 1 1H MET 1 -11.352 16.228 -6.640
2 2H MET 1 2H MET 1 -12.919 16.879 -6.583
3 3H MET 1 3H MET 1 -11.734 17.419 -5.492
4 HA MET 1 HA MET 1 -13.125 15.983 -4.290
5 1HB MET 1 1HB MET 1 -13.578 13.649 -5.116
6 2HB MET 1 2HB MET 1 -14.194 14.861 -6.215
7 1HG MET 1 1HG MET 1 -12.224 14.609 -7.657
8 2HG MET 1 2HG MET 1 -11.520 13.455 -6.562
9 1HE MET 1 1HE MET 1 -13.090 11.264 -5.833
10 2HE MET 1 2HE MET 1 -13.167 10.196 -7.219
11 3HE MET 1 3HE MET 1 -11.650 10.998 -6.845
12 H LYS 2 H LYS 2 -10.409 16.725 -4.426
13 HA LYS 2 HA LYS 2 -8.355 16.289 -3.454
14 1HB LYS 2 1HB LYS 2 -9.942 14.073 -2.044
15 2HB LYS 2 2HB LYS 2 -8.309 14.514 -1.640
16 1HG LYS 2 1HG LYS 2 -9.698 15.654 -0.067
17 2HG LYS 2 2HG LYS 2 -9.055 16.860 -1.153
18 1HD LYS 2 1HD LYS 2 -11.400 17.325 -0.694
19 2HD LYS 2 2HD LYS 2 -11.251 16.924 -2.380
20 1HE LYS 2 1HE LYS 2 -12.001 14.547 -1.796
21 2HE LYS 2 2HE LYS 2 -12.199 15.079 -0.135
22 1HZ LYS 2 1HZ LYS 2 -13.587 16.937 -1.431
23 2HZ LYS 2 2HZ LYS 2 -13.825 15.606 -2.459
24 3HZ LYS 2 3HZ LYS 2 -14.258 15.501 -0.821
25 H ALA 3 H ALA 3 -6.670 14.559 -3.072
26 HA ALA 3 HA ALA 3 -6.678 12.154 -4.465
27 1HB ALA 3 1HB ALA 3 -5.223 14.467 -5.863
28 2HB ALA 3 2HB ALA 3 -5.089 12.785 -6.350
29 3HB ALA 3 3HB ALA 3 -6.617 13.626 -6.517
30 H CYS 4 H CYS 4 -4.997 10.921 -3.860
31 HA CYS 4 HA CYS 4 -3.286 11.837 -1.740
32 1HB CYS 4 1HB CYS 4 -3.376 9.301 -3.357
33 2HB CYS 4 2HB CYS 4 -2.325 9.524 -1.996
34 H THR 5 H THR 5 -0.915 11.215 -1.774
35 HA THR 5 HA THR 5 0.446 12.793 -3.725
36 HB THR 5 HB THR 5 1.628 10.793 -1.691
37 HG1 THR 5 HG1 THR 5 0.672 13.468 -1.514
38 1HG2 THR 5 1HG2 THR 5 2.569 13.492 -2.754
39 2HG2 THR 5 2HG2 THR 5 3.458 12.424 -1.667
40 3HG2 THR 5 3HG2 THR 5 3.172 11.945 -3.338
41 H LEU 6 H LEU 6 0.844 12.173 -5.616
42 HA LEU 6 HA LEU 6 0.423 9.626 -6.771
43 1HB LEU 6 1HB LEU 6 2.283 11.817 -7.788
44 2HB LEU 6 2HB LEU 6 1.537 10.567 -8.763
45 HG LEU 6 HG LEU 6 -0.001 12.724 -7.223
46 1HD1 LEU 6 1HD1 LEU 6 0.552 12.434 -10.210
47 2HD1 LEU 6 2HD1 LEU 6 -0.461 13.668 -9.477
48 3HD1 LEU 6 3HD1 LEU 6 1.263 13.642 -9.152
49 1HD2 LEU 6 1HD2 LEU 6 -0.988 10.648 -9.237
50 2HD2 LEU 6 2HD2 LEU 6 -1.328 10.622 -7.514
51 3HD2 LEU 6 3HD2 LEU 6 -1.968 11.910 -8.511
52 H ASN 7 H ASN 7 3.116 10.759 -4.979
53 HA ASN 7 HA ASN 7 5.167 9.238 -6.037
54 1HB ASN 7 1HB ASN 7 4.725 10.259 -3.210
55 2HB ASN 7 2HB ASN 7 6.249 9.596 -3.776
56 1HD2 ASN 7 2HD2 ASN 7 7.675 11.155 -4.476
57 2HD2 ASN 7 1HD2 ASN 7 7.246 12.652 -5.152
58 H CYS 8 H CYS 8 6.243 7.498 -5.060
59 HA CYS 8 HA CYS 8 4.443 5.279 -4.271
60 1HB CYS 8 1HB CYS 8 7.281 4.690 -4.699
61 2HB CYS 8 2HB CYS 8 5.877 3.909 -5.340
62 H ASP 9 H ASP 9 4.432 4.381 -2.321
63 HA ASP 9 HA ASP 9 5.981 5.541 -0.143
64 1HB ASP 9 1HB ASP 9 3.633 4.735 0.152
65 2HB ASP 9 2HB ASP 9 4.149 3.102 -0.212
66 HA PRO 10 HA PRO 10 9.291 2.843 -1.458
67 1HB PRO 10 1HB PRO 10 11.302 3.842 0.148
68 2HB PRO 10 2HB PRO 10 10.673 4.655 -1.276
69 1HG PRO 10 1HG PRO 10 10.173 5.257 1.593
70 2HG PRO 10 2HG PRO 10 10.178 6.343 0.211
71 1HD PRO 10 1HD PRO 10 7.880 5.258 1.484
72 2HD PRO 10 2HD PRO 10 7.920 6.123 -0.063
73 H ARG 11 H ARG 11 7.694 1.454 -0.092
74 HA ARG 11 HA ARG 11 9.194 -0.566 1.260
75 1HB ARG 11 1HB ARG 11 7.690 -0.475 3.305
76 2HB ARG 11 2HB ARG 11 8.890 0.789 3.208
77 1HG ARG 11 1HG ARG 11 7.369 2.483 2.722
78 2HG ARG 11 2HG ARG 11 6.181 1.408 2.013
79 1HD ARG 11 1HD ARG 11 6.882 1.532 4.967
80 2HD ARG 11 2HD ARG 11 5.402 2.155 4.227
81 HE ARG 11 HE ARG 11 5.520 -0.416 3.304
82 1HH1 ARG 11 1HH1 ARG 11 5.665 1.028 6.459
83 2HH1 ARG 11 2HH1 ARG 11 4.988 -0.352 7.256
84 1HH2 ARG 11 1HH2 ARG 11 4.669 -2.178 4.300
85 2HH2 ARG 11 2HH2 ARG 11 4.406 -2.201 6.013
86 H ILE 12 H ILE 12 6.115 0.830 0.141
87 HA ILE 12 HA ILE 12 4.724 -1.747 0.119
88 HB ILE 12 HB ILE 12 3.987 1.000 -0.905
89 1HG1 ILE 12 1HG1 ILE 12 3.063 -0.791 1.391
90 2HG1 ILE 12 2HG1 ILE 12 4.067 0.630 1.565
91 1HG2 ILE 12 1HG2 ILE 12 2.304 -1.572 -0.932
92 2HG2 ILE 12 2HG2 ILE 12 1.720 0.023 -1.377
93 3HG2 ILE 12 3HG2 ILE 12 2.917 -0.766 -2.366
94 1HD1 ILE 12 1HD1 ILE 12 2.197 2.002 0.647
95 2HD1 ILE 12 2HD1 ILE 12 1.203 0.550 0.567
96 3HD1 ILE 12 3HD1 ILE 12 1.757 1.142 2.124
97 H ALA 13 H ALA 13 4.323 -2.939 -1.733
98 HA ALA 13 HA ALA 13 6.072 -2.386 -4.086
99 1HB ALA 13 1HB ALA 13 4.673 -4.936 -3.199
100 2HB ALA 13 2HB ALA 13 5.735 -4.796 -4.585
101 3HB ALA 13 3HB ALA 13 6.369 -4.523 -2.982
102 H TYR 14 H TYR 14 2.881 -3.791 -3.465
103 HA TYR 14 HA TYR 14 1.551 -2.025 -5.363
104 1HB TYR 14 1HB TYR 14 0.914 -3.745 -7.029
105 2HB TYR 14 2HB TYR 14 2.649 -3.584 -6.985
106 HD1 TYR 14 HD1 TYR 14 3.904 -5.313 -5.396
107 HD2 TYR 14 HD2 TYR 14 -0.045 -5.884 -6.857
108 HE1 TYR 14 HE1 TYR 14 4.105 -7.708 -4.979
109 HE2 TYR 14 HE2 TYR 14 0.159 -8.288 -6.440
110 HH TYR 14 HH TYR 14 1.634 -9.742 -4.752
111 H GLY 15 H GLY 15 -0.688 -3.387 -5.922
112 1HA GLY 15 1HA GLY 15 -1.577 -4.848 -3.571
113 2HA GLY 15 2HA GLY 15 -2.329 -3.260 -3.737
114 H VAL 16 H VAL 16 -3.603 -5.744 -3.720
115 HA VAL 16 HA VAL 16 -4.580 -6.035 -6.539
116 HB VAL 16 HB VAL 16 -4.552 -7.943 -4.182
117 1HG1 VAL 16 1HG1 VAL 16 -6.090 -8.253 -6.797
118 2HG1 VAL 16 2HG1 VAL 16 -5.849 -9.538 -5.621
119 3HG1 VAL 16 3HG1 VAL 16 -6.815 -8.139 -5.209
120 1HG2 VAL 16 1HG2 VAL 16 -2.544 -7.818 -5.699
121 2HG2 VAL 16 2HG2 VAL 16 -3.354 -9.367 -5.858
122 3HG2 VAL 16 3HG2 VAL 16 -3.576 -8.128 -7.082
123 H CYS 17 H CYS 17 -6.301 -4.969 -6.974
124 HA CYS 17 HA CYS 17 -8.361 -4.438 -4.890
125 1HB CYS 17 1HB CYS 17 -7.900 -3.094 -7.559
126 2HB CYS 17 2HB CYS 17 -9.086 -2.613 -6.385
127 HA PRO 18 HA PRO 18 -11.090 -7.230 -6.839
128 1HB PRO 18 1HB PRO 18 -13.545 -5.865 -6.490
129 2HB PRO 18 2HB PRO 18 -12.792 -6.986 -5.367
130 1HG PRO 18 1HG PRO 18 -12.974 -4.057 -5.206
131 2HG PRO 18 2HG PRO 18 -12.580 -5.210 -3.940
132 1HD PRO 18 1HD PRO 18 -10.752 -3.489 -5.292
133 2HD PRO 18 2HD PRO 18 -10.336 -4.810 -4.184
134 H ARG 19 H ARG 19 -11.566 -7.679 -8.833
135 HA ARG 19 HA ARG 19 -11.761 -7.485 -11.108
136 1HB ARG 19 1HB ARG 19 -13.990 -5.936 -9.820
137 2HB ARG 19 2HB ARG 19 -13.831 -5.639 -11.528
138 1HG ARG 19 1HG ARG 19 -14.084 -8.406 -10.290
139 2HG ARG 19 2HG ARG 19 -15.415 -7.502 -10.976
140 1HD ARG 19 1HD ARG 19 -12.946 -8.483 -12.504
141 2HD ARG 19 2HD ARG 19 -14.580 -9.097 -12.663
142 HE ARG 19 HE ARG 19 -13.532 -6.658 -13.851
143 1HH1 ARG 19 1HH1 ARG 19 -16.384 -8.263 -12.698
144 2HH1 ARG 19 2HH1 ARG 19 -17.445 -7.331 -13.700
145 1HH2 ARG 19 1HH2 ARG 19 -14.855 -5.475 -15.122
146 2HH2 ARG 19 2HH2 ARG 19 -16.569 -5.729 -15.093
147 H SER 20 H SER 20 -9.728 -5.792 -10.099
148 HA SER 20 HA SER 20 -9.812 -3.457 -11.968
149 1HB SER 20 1HB SER 20 -7.887 -2.600 -10.581
150 2HB SER 20 2HB SER 20 -9.267 -2.997 -9.547
151 HG SER 20 HG SER 20 -8.202 -5.216 -9.613
152 H GLU 21 H GLU 21 -9.669 -5.569 -13.318
153 HA GLU 21 HA GLU 21 -8.598 -6.639 -15.056
154 1HB GLU 21 1HB GLU 21 -6.247 -4.780 -14.499
155 2HB GLU 21 2HB GLU 21 -6.519 -5.727 -15.944
156 1HG GLU 21 1HG GLU 21 -8.567 -4.448 -16.458
157 2HG GLU 21 2HG GLU 21 -8.347 -3.488 -15.000
158 H GLU 22 H GLU 22 -7.127 -6.695 -11.968
159 HA GLU 22 HA GLU 22 -5.649 -8.154 -10.950
160 1HB GLU 22 1HB GLU 22 -7.582 -9.636 -12.330
161 2HB GLU 22 2HB GLU 22 -6.119 -10.340 -12.971
162 1HG GLU 22 1HG GLU 22 -6.999 -11.505 -10.908
163 2HG GLU 22 2HG GLU 22 -5.349 -10.938 -10.736
164 H LYS 23 H LYS 23 -4.550 -6.404 -12.527
165 HA LYS 23 HA LYS 23 -2.388 -7.682 -14.045
166 1HB LYS 23 1HB LYS 23 -3.797 -5.037 -14.106
167 2HB LYS 23 2HB LYS 23 -2.095 -5.010 -14.517
168 1HG LYS 23 1HG LYS 23 -2.397 -6.582 -16.328
169 2HG LYS 23 2HG LYS 23 -4.032 -6.956 -15.818
170 1HD LYS 23 1HD LYS 23 -4.150 -5.447 -17.732
171 2HD LYS 23 2HD LYS 23 -4.708 -4.601 -16.306
172 1HE LYS 23 1HE LYS 23 -2.498 -3.486 -16.075
173 2HE LYS 23 2HE LYS 23 -1.948 -4.308 -17.532
174 1HZ LYS 23 1HZ LYS 23 -4.363 -2.602 -17.445
175 2HZ LYS 23 2HZ LYS 23 -2.818 -2.011 -17.839
176 3HZ LYS 23 3HZ LYS 23 -3.551 -3.193 -18.815
177 H LYS 24 H LYS 24 -3.080 -6.367 -11.072
178 HA LYS 24 HA LYS 24 -0.492 -5.173 -10.437
179 1HB LYS 24 1HB LYS 24 -2.576 -6.081 -8.395
180 2HB LYS 24 2HB LYS 24 -1.418 -4.788 -8.271
181 1HG LYS 24 1HG LYS 24 -2.888 -3.290 -9.094
182 2HG LYS 24 2HG LYS 24 -3.070 -4.182 -10.582
183 1HD LYS 24 1HD LYS 24 -4.657 -4.627 -8.008
184 2HD LYS 24 2HD LYS 24 -5.243 -3.902 -9.480
185 1HE LYS 24 1HE LYS 24 -5.083 -5.957 -10.712
186 2HE LYS 24 2HE LYS 24 -4.220 -6.782 -9.426
187 1HZ LYS 24 1HZ LYS 24 -6.529 -5.855 -8.276
188 2HZ LYS 24 2HZ LYS 24 -6.996 -6.458 -9.794
189 3HZ LYS 24 3HZ LYS 24 -6.160 -7.456 -8.704
190 H ASN 25 H ASN 25 0.754 -7.053 -11.179
191 HA ASN 25 HA ASN 25 1.229 -8.953 -9.011
192 1HB ASN 25 1HB ASN 25 1.264 -10.092 -11.797
193 2HB ASN 25 2HB ASN 25 0.825 -10.824 -10.271
194 1HD2 ASN 25 2HD2 ASN 25 -1.388 -10.236 -9.384
195 2HD2 ASN 25 1HD2 ASN 25 -2.619 -9.858 -10.490
196 H ASP 26 H ASP 26 2.638 -6.583 -10.177
197 HA ASP 26 HA ASP 26 5.267 -7.873 -10.347
198 1HB ASP 26 1HB ASP 26 3.847 -7.254 -12.742
199 2HB ASP 26 2HB ASP 26 5.046 -5.990 -12.632
200 H ARG 27 H ARG 27 4.340 -6.350 -8.409
201 HA ARG 27 HA ARG 27 4.532 -4.356 -7.190
202 1HB ARG 27 1HB ARG 27 6.337 -5.681 -6.475
203 2HB ARG 27 2HB ARG 27 7.227 -5.420 -7.942
204 1HG ARG 27 1HG ARG 27 6.755 -2.866 -6.506
205 2HG ARG 27 2HG ARG 27 7.530 -4.039 -5.481
206 1HD ARG 27 1HD ARG 27 8.605 -3.165 -8.201
207 2HD ARG 27 2HD ARG 27 9.205 -2.674 -6.635
208 HE ARG 27 HE ARG 27 9.972 -4.926 -6.213
209 1HH1 ARG 27 1HH1 ARG 27 8.727 -4.428 -9.431
210 2HH1 ARG 27 2HH1 ARG 27 9.521 -5.832 -10.050
211 1HH2 ARG 27 1HH2 ARG 27 10.956 -6.690 -6.997
212 2HH2 ARG 27 2HH2 ARG 27 10.791 -7.130 -8.665
213 H ILE 28 H ILE 28 3.625 -2.577 -8.158
214 HA ILE 28 HA ILE 28 4.997 -1.059 -10.167
215 HB ILE 28 HB ILE 28 2.497 -0.527 -8.606
216 1HG1 ILE 28 1HG1 ILE 28 1.343 -1.352 -10.924
217 2HG1 ILE 28 2HG1 ILE 28 2.893 -2.105 -11.201
218 1HG2 ILE 28 1HG2 ILE 28 3.303 0.691 -11.191
219 2HG2 ILE 28 2HG2 ILE 28 1.664 0.734 -10.544
220 3HG2 ILE 28 3HG2 ILE 28 2.938 1.495 -9.654
221 1HD1 ILE 28 1HD1 ILE 28 1.072 -2.673 -8.851
222 2HD1 ILE 28 2HD1 ILE 28 1.217 -3.664 -10.288
223 3HD1 ILE 28 3HD1 ILE 28 2.567 -3.539 -9.195
224 H CYS 29 H CYS 29 4.516 1.444 -9.363
225 HA CYS 29 HA CYS 29 6.077 1.873 -6.833
226 1HB CYS 29 1HB CYS 29 7.050 2.472 -9.216
227 2HB CYS 29 2HB CYS 29 5.929 3.797 -9.190
228 H THR 30 H THR 30 4.370 2.135 -5.477
229 HA THR 30 HA THR 30 2.671 4.493 -5.781
230 HB THR 30 HB THR 30 1.386 2.824 -7.131
231 HG1 THR 30 HG1 THR 30 0.446 4.232 -5.336
232 1HG2 THR 30 1HG2 THR 30 2.294 0.727 -6.004
233 2HG2 THR 30 2HG2 THR 30 1.345 1.120 -4.578
234 3HG2 THR 30 3HG2 THR 30 0.546 0.750 -6.099
235 H ASN 31 H ASN 31 1.066 4.575 -3.940
236 HA ASN 31 HA ASN 31 2.257 3.578 -1.391
237 1HB ASN 31 1HB ASN 31 1.588 5.803 -0.394
238 2HB ASN 31 2HB ASN 31 2.793 6.000 -1.644
239 1HD2 ASN 31 2HD2 ASN 31 0.290 7.591 -0.567
240 2HD2 ASN 31 1HD2 ASN 31 -0.326 8.192 -2.028
241 H CYS 32 H CYS 32 0.767 3.508 0.397
242 HA CYS 32 HA CYS 32 -1.589 2.062 -0.153
243 1HB CYS 32 1HB CYS 32 -0.533 1.881 2.010
244 2HB CYS 32 2HB CYS 32 -0.748 3.585 2.329
245 H CYS 33 H CYS 33 -1.288 5.501 0.685
246 HA CYS 33 HA CYS 33 -4.045 6.125 0.858
247 1HB CYS 33 1HB CYS 33 -2.134 7.624 1.461
248 2HB CYS 33 2HB CYS 33 -1.815 7.869 -0.230
249 H ALA 34 H ALA 34 -1.872 6.285 -1.948
250 HA ALA 34 HA ALA 34 -3.782 7.122 -3.878
251 1HB ALA 34 1HB ALA 34 -1.348 5.323 -4.265
252 2HB ALA 34 2HB ALA 34 -2.207 6.150 -5.555
253 3HB ALA 34 3HB ALA 34 -1.359 7.082 -4.336
254 H GLY 35 H GLY 35 -2.979 3.946 -2.628
255 1HA GLY 35 1HA GLY 35 -4.356 2.327 -4.404
256 2HA GLY 35 2HA GLY 35 -4.062 1.921 -2.712
257 H THR 36 H THR 36 -6.519 1.257 -4.080
258 HA THR 36 HA THR 36 -8.468 3.209 -3.046
259 HB THR 36 HB THR 36 -9.461 0.741 -4.390
260 HG1 THR 36 HG1 THR 36 -7.577 1.365 -5.582
261 1HG2 THR 36 1HG2 THR 36 -10.964 2.737 -3.855
262 2HG2 THR 36 2HG2 THR 36 -9.955 3.715 -4.910
263 3HG2 THR 36 3HG2 THR 36 -10.881 2.382 -5.569
264 H LYS 37 H LYS 37 -10.528 2.142 -2.166
265 HA LYS 37 HA LYS 37 -9.800 0.621 0.244
266 1HB LYS 37 1HB LYS 37 -11.442 2.228 0.769
267 2HB LYS 37 2HB LYS 37 -12.195 2.124 -0.802
268 1HG LYS 37 1HG LYS 37 -13.770 1.255 0.785
269 2HG LYS 37 2HG LYS 37 -13.193 -0.121 -0.124
270 1HD LYS 37 1HD LYS 37 -11.475 -0.489 1.798
271 2HD LYS 37 2HD LYS 37 -12.327 0.767 2.663
272 1HE LYS 37 1HE LYS 37 -14.424 -0.537 2.571
273 2HE LYS 37 2HE LYS 37 -13.611 -1.798 1.651
274 1HZ LYS 37 1HZ LYS 37 -12.093 -1.273 3.929
275 2HZ LYS 37 2HZ LYS 37 -13.710 -1.465 4.413
276 3HZ LYS 37 3HZ LYS 37 -12.937 -2.686 3.521
277 H GLY 38 H GLY 38 -10.538 -1.515 0.658
278 1HA GLY 38 1HA GLY 38 -11.585 -3.597 0.156
279 2HA GLY 38 2HA GLY 38 -11.938 -3.018 -1.469
280 H CYS 39 H CYS 39 -9.163 -1.991 -1.652
281 HA CYS 39 HA CYS 39 -7.903 -4.171 -2.983
282 1HB CYS 39 1HB CYS 39 -6.689 -1.592 -1.994
283 2HB CYS 39 2HB CYS 39 -6.048 -2.629 -3.232
284 H LYS 40 H LYS 40 -5.526 -4.540 -2.540
285 HA LYS 40 HA LYS 40 -4.948 -4.956 0.351
286 1HB LYS 40 1HB LYS 40 -4.797 -7.144 -1.791
287 2HB LYS 40 2HB LYS 40 -4.217 -7.305 -0.143
288 1HG LYS 40 1HG LYS 40 -6.560 -6.899 0.691
289 2HG LYS 40 2HG LYS 40 -7.112 -6.778 -0.967
290 1HD LYS 40 1HD LYS 40 -7.592 -9.019 -0.179
291 2HD LYS 40 2HD LYS 40 -6.332 -9.119 -1.391
292 1HE LYS 40 1HE LYS 40 -4.606 -9.310 0.401
293 2HE LYS 40 2HE LYS 40 -5.858 -9.150 1.626
294 1HZ LYS 40 1HZ LYS 40 -6.883 -11.158 0.775
295 2HZ LYS 40 2HZ LYS 40 -5.661 -11.305 -0.395
296 3HZ LYS 40 3HZ LYS 40 -5.278 -11.439 1.254
297 H TYR 41 H TYR 41 -3.422 -3.266 0.097
298 HA TYR 41 HA TYR 41 -1.300 -3.552 -1.871
299 1HB TYR 41 1HB TYR 41 -2.178 -1.440 0.092
300 2HB TYR 41 2HB TYR 41 -0.570 -1.356 -0.606
301 HD1 TYR 41 HD1 TYR 41 -4.198 -1.439 -1.433
302 HD2 TYR 41 HD2 TYR 41 -0.260 -0.838 -2.944
303 HE1 TYR 41 HE1 TYR 41 -5.123 -0.571 -3.531
304 HE2 TYR 41 HE2 TYR 41 -1.197 0.020 -5.036
305 HH TYR 41 HH TYR 41 -4.667 0.494 -5.446
306 H PHE 42 H PHE 42 0.265 -4.841 -1.520
307 HA PHE 42 HA PHE 42 1.435 -5.159 1.182
308 1HB PHE 42 1HB PHE 42 2.305 -7.312 -0.449
309 2HB PHE 42 2HB PHE 42 1.150 -7.360 0.849
310 HD1 PHE 42 HD1 PHE 42 1.213 -6.398 -2.789
311 HD2 PHE 42 HD2 PHE 42 -0.933 -8.242 0.404
312 HE1 PHE 42 HE1 PHE 42 -0.575 -7.048 -4.343
313 HE2 PHE 42 HE2 PHE 42 -2.702 -8.891 -1.161
314 HZ PHE 42 HZ PHE 42 -2.519 -8.289 -3.536
315 H SER 43 H SER 43 3.572 -5.369 1.424
316 HA SER 43 HA SER 43 5.279 -3.671 -0.063
317 1HB SER 43 1HB SER 43 5.796 -5.746 2.085
318 2HB SER 43 2HB SER 43 6.964 -4.588 1.519
319 HG SER 43 HG SER 43 5.536 -2.917 2.047
320 H ASP 44 H ASP 44 7.538 -4.573 -0.342
321 HA ASP 44 HA ASP 44 7.495 -6.282 -2.722
322 1HB ASP 44 1HB ASP 44 9.147 -4.206 -1.799
323 2HB ASP 44 2HB ASP 44 10.164 -5.613 -1.578
324 H ASP 45 H ASP 45 8.328 -6.530 0.601
325 HA ASP 45 HA ASP 45 9.773 -9.016 0.527
326 1HB ASP 45 1HB ASP 45 9.944 -7.432 2.422
327 2HB ASP 45 2HB ASP 45 8.236 -7.620 2.769
328 H GLY 46 H GLY 46 6.518 -8.294 -0.009
329 1HA GLY 46 1HA GLY 46 4.757 -9.643 -0.505
330 2HA GLY 46 2HA GLY 46 5.762 -11.066 -0.137
331 H THR 47 H THR 47 4.339 -8.242 1.427
332 HA THR 47 HA THR 47 3.104 -9.794 3.477
333 HB THR 47 HB THR 47 5.270 -7.706 4.048
334 HG1 THR 47 HG1 THR 47 6.423 -9.418 4.596
335 1HG2 THR 47 1HG2 THR 47 3.619 -9.395 6.038
336 2HG2 THR 47 2HG2 THR 47 4.878 -8.251 6.476
337 3HG2 THR 47 3HG2 THR 47 3.364 -7.673 5.805
338 H PHE 48 H PHE 48 1.193 -9.001 3.734
339 HA PHE 48 HA PHE 48 0.111 -6.755 2.434
340 1HB PHE 48 1HB PHE 48 -1.245 -8.635 3.200
341 2HB PHE 48 2HB PHE 48 -0.882 -8.268 4.874
342 HD1 PHE 48 HD1 PHE 48 -1.739 -6.113 5.876
343 HD2 PHE 48 HD2 PHE 48 -3.021 -7.452 2.034
344 HE1 PHE 48 HE1 PHE 48 -3.659 -4.603 5.994
345 HE2 PHE 48 HE2 PHE 48 -4.949 -5.937 2.170
346 HZ PHE 48 HZ PHE 48 -5.265 -4.506 4.146
347 H VAL 49 H VAL 49 0.227 -4.714 2.757
348 HA VAL 49 HA VAL 49 1.117 -3.616 5.389
349 HB VAL 49 HB VAL 49 0.950 -2.213 2.689
350 1HG1 VAL 49 1HG1 VAL 49 2.288 -1.392 5.299
351 2HG1 VAL 49 2HG1 VAL 49 2.410 -0.516 3.782
352 3HG1 VAL 49 3HG1 VAL 49 0.866 -0.643 4.600
353 1HG2 VAL 49 1HG2 VAL 49 3.319 -3.472 4.102
354 2HG2 VAL 49 2HG2 VAL 49 2.578 -4.045 2.623
355 3HG2 VAL 49 3HG2 VAL 49 3.397 -2.496 2.638
356 H CYS 50 H CYS 50 -1.364 -2.959 2.841
357 HA CYS 50 HA CYS 50 -3.340 -2.309 4.893
358 1HB CYS 50 1HB CYS 50 -3.421 -0.014 4.671
359 2HB CYS 50 2HB CYS 50 -1.740 -0.178 4.243
360 H GLU 51 H GLU 51 -5.196 -1.191 3.581
361 HA GLU 51 HA GLU 51 -5.663 -2.833 1.127
362 1HB GLU 51 1HB GLU 51 -7.169 -3.711 2.790
363 2HB GLU 51 2HB GLU 51 -7.387 -2.161 3.564
364 1HG GLU 51 1HG GLU 51 -9.045 -1.467 2.088
365 2HG GLU 51 2HG GLU 51 -8.524 -2.483 0.771
366 H GLY 52 H GLY 52 -4.366 -0.762 0.626
367 1HA GLY 52 1HA GLY 52 -4.229 1.347 -0.378
368 2HA GLY 52 2HA GLY 52 -5.748 0.898 -1.131
369 H GLU 53 H GLU 53 -7.072 2.563 -0.884
370 HA GLU 53 HA GLU 53 -8.675 3.421 0.977
371 1HB GLU 53 1HB GLU 53 -6.933 3.833 2.725
372 2HB GLU 53 2HB GLU 53 -6.028 4.875 1.639
373 1HG GLU 53 1HG GLU 53 -7.437 6.035 3.428
374 2HG GLU 53 2HG GLU 53 -7.786 6.601 1.816
375 H SER 54 H SER 54 -9.296 3.681 -1.231
376 HA SER 54 HA SER 54 -9.902 4.877 -3.111
377 1HB SER 54 1HB SER 54 -10.545 7.279 -2.643
378 2HB SER 54 2HB SER 54 -11.122 6.168 -1.402
379 HG SER 54 HG SER 54 -9.483 6.785 -0.079
Start of MODEL 20
1 1H MET 1 1H MET 1 -11.081 12.941 1.752
2 2H MET 1 2H MET 1 -10.455 11.859 2.902
3 3H MET 1 3H MET 1 -9.796 13.417 2.755
4 HA MET 1 HA MET 1 -8.327 11.883 1.748
5 1HB MET 1 1HB MET 1 -10.736 10.550 1.003
6 2HB MET 1 2HB MET 1 -10.024 11.048 -0.515
7 1HG MET 1 1HG MET 1 -8.654 9.468 1.676
8 2HG MET 1 2HG MET 1 -9.229 8.826 0.164
9 1HE MET 1 1HE MET 1 -8.170 8.697 -1.860
10 2HE MET 1 2HE MET 1 -8.082 10.420 -2.279
11 3HE MET 1 3HE MET 1 -6.649 9.394 -2.352
12 H LYS 2 H LYS 2 -7.167 12.347 -0.090
13 HA LYS 2 HA LYS 2 -8.124 14.486 -1.912
14 1HB LYS 2 1HB LYS 2 -6.919 15.513 0.032
15 2HB LYS 2 2HB LYS 2 -5.488 14.572 -0.358
16 1HG LYS 2 1HG LYS 2 -5.493 15.662 -2.662
17 2HG LYS 2 2HG LYS 2 -6.814 16.678 -2.128
18 1HD LYS 2 1HD LYS 2 -4.033 16.594 -0.880
19 2HD LYS 2 2HD LYS 2 -4.607 17.824 -1.981
20 1HE LYS 2 1HE LYS 2 -4.822 18.767 0.216
21 2HE LYS 2 2HE LYS 2 -6.454 18.338 -0.267
22 1HZ LYS 2 1HZ LYS 2 -5.129 16.188 1.050
23 2HZ LYS 2 2HZ LYS 2 -5.190 17.585 2.014
24 3HZ LYS 2 3HZ LYS 2 -6.623 16.921 1.392
25 H ALA 3 H ALA 3 -7.213 14.345 -3.926
26 HA ALA 3 HA ALA 3 -6.528 11.988 -5.050
27 1HB ALA 3 1HB ALA 3 -5.575 14.746 -5.895
28 2HB ALA 3 2HB ALA 3 -5.578 13.331 -6.939
29 3HB ALA 3 3HB ALA 3 -7.095 13.984 -6.340
30 H CYS 4 H CYS 4 -5.018 10.635 -4.273
31 HA CYS 4 HA CYS 4 -2.429 11.456 -3.298
32 1HB CYS 4 1HB CYS 4 -3.497 8.739 -4.041
33 2HB CYS 4 2HB CYS 4 -2.036 9.036 -3.163
34 H THR 5 H THR 5 -0.428 10.456 -4.110
35 HA THR 5 HA THR 5 -0.131 10.895 -6.980
36 HB THR 5 HB THR 5 1.916 10.248 -4.752
37 HG1 THR 5 HG1 THR 5 0.677 12.164 -4.469
38 1HG2 THR 5 1HG2 THR 5 2.176 11.638 -7.450
39 2HG2 THR 5 2HG2 THR 5 3.483 11.285 -6.315
40 3HG2 THR 5 3HG2 THR 5 2.661 9.970 -7.156
41 H LEU 6 H LEU 6 -0.440 9.290 -8.254
42 HA LEU 6 HA LEU 6 -0.873 6.579 -7.523
43 1HB LEU 6 1HB LEU 6 -0.086 7.672 -10.253
44 2HB LEU 6 2HB LEU 6 -0.930 6.166 -9.951
45 HG LEU 6 HG LEU 6 -2.020 8.941 -9.244
46 1HD1 LEU 6 1HD1 LEU 6 -1.925 8.550 -11.697
47 2HD1 LEU 6 2HD1 LEU 6 -2.783 7.030 -11.500
48 3HD1 LEU 6 3HD1 LEU 6 -3.588 8.547 -11.135
49 1HD2 LEU 6 1HD2 LEU 6 -3.375 6.199 -9.159
50 2HD2 LEU 6 2HD2 LEU 6 -2.918 7.145 -7.751
51 3HD2 LEU 6 3HD2 LEU 6 -4.159 7.736 -8.833
52 H ASN 7 H ASN 7 2.067 8.153 -7.660
53 HA ASN 7 HA ASN 7 3.766 6.280 -8.776
54 1HB ASN 7 1HB ASN 7 4.247 8.364 -6.618
55 2HB ASN 7 2HB ASN 7 5.543 7.484 -7.408
56 1HD2 ASN 7 2HD2 ASN 7 6.394 9.440 -8.354
57 2HD2 ASN 7 1HD2 ASN 7 5.614 10.220 -9.644
58 H CYS 8 H CYS 8 5.582 5.356 -7.444
59 HA CYS 8 HA CYS 8 4.687 3.113 -5.923
60 1HB CYS 8 1HB CYS 8 7.323 4.399 -6.361
61 2HB CYS 8 2HB CYS 8 7.205 3.193 -5.160
62 H ASP 9 H ASP 9 4.919 2.665 -3.831
63 HA ASP 9 HA ASP 9 4.997 4.960 -1.896
64 1HB ASP 9 1HB ASP 9 3.044 3.396 -1.829
65 2HB ASP 9 2HB ASP 9 4.131 2.119 -1.353
66 HA PRO 10 HA PRO 10 9.186 3.758 -1.153
67 1HB PRO 10 1HB PRO 10 9.008 4.653 1.650
68 2HB PRO 10 2HB PRO 10 9.987 5.271 0.327
69 1HG PRO 10 1HG PRO 10 7.713 6.521 1.363
70 2HG PRO 10 2HG PRO 10 8.449 6.875 -0.190
71 1HD PRO 10 1HD PRO 10 5.921 5.475 0.352
72 2HD PRO 10 2HD PRO 10 6.531 6.142 -1.172
73 H ARG 11 H ARG 11 6.686 2.187 0.506
74 HA ARG 11 HA ARG 11 8.609 0.081 1.393
75 1HB ARG 11 1HB ARG 11 7.593 -0.115 3.522
76 2HB ARG 11 2HB ARG 11 7.834 1.595 3.273
77 1HG ARG 11 1HG ARG 11 5.296 1.280 2.223
78 2HG ARG 11 2HG ARG 11 5.298 0.007 3.417
79 1HD ARG 11 1HD ARG 11 4.437 1.928 4.512
80 2HD ARG 11 2HD ARG 11 6.080 1.797 5.117
81 HE ARG 11 HE ARG 11 5.091 3.743 3.082
82 1HH1 ARG 11 1HH1 ARG 11 7.681 2.643 5.139
83 2HH1 ARG 11 2HH1 ARG 11 8.600 4.088 4.896
84 1HH2 ARG 11 1HH2 ARG 11 6.245 5.539 2.782
85 2HH2 ARG 11 2HH2 ARG 11 7.785 5.744 3.549
86 H ILE 12 H ILE 12 5.894 0.750 -0.479
87 HA ILE 12 HA ILE 12 4.734 -1.976 -0.087
88 HB ILE 12 HB ILE 12 3.646 0.304 -1.660
89 1HG1 ILE 12 1HG1 ILE 12 3.037 -0.737 1.159
90 2HG1 ILE 12 2HG1 ILE 12 3.855 0.770 0.815
91 1HG2 ILE 12 1HG2 ILE 12 2.414 -2.337 -0.707
92 2HG2 ILE 12 2HG2 ILE 12 1.546 -1.081 -1.564
93 3HG2 ILE 12 3HG2 ILE 12 2.808 -1.951 -2.375
94 1HD1 ILE 12 1HD1 ILE 12 1.870 1.584 -0.355
95 2HD1 ILE 12 2HD1 ILE 12 1.026 0.091 0.058
96 3HD1 ILE 12 3HD1 ILE 12 1.551 1.180 1.333
97 H ALA 13 H ALA 13 4.454 -3.335 -1.861
98 HA ALA 13 HA ALA 13 6.348 -2.972 -4.125
99 1HB ALA 13 1HB ALA 13 4.676 -5.392 -3.279
100 2HB ALA 13 2HB ALA 13 5.872 -5.378 -4.561
101 3HB ALA 13 3HB ALA 13 6.371 -5.132 -2.905
102 H TYR 14 H TYR 14 3.034 -4.040 -3.524
103 HA TYR 14 HA TYR 14 1.891 -2.285 -5.544
104 1HB TYR 14 1HB TYR 14 1.135 -4.085 -7.112
105 2HB TYR 14 2HB TYR 14 2.882 -4.009 -7.019
106 HD1 TYR 14 HD1 TYR 14 4.149 -5.721 -5.727
107 HD2 TYR 14 HD2 TYR 14 -0.051 -6.053 -6.301
108 HE1 TYR 14 HE1 TYR 14 4.254 -8.069 -5.069
109 HE2 TYR 14 HE2 TYR 14 0.053 -8.404 -5.643
110 HH TYR 14 HH TYR 14 1.695 -9.828 -4.140
111 H GLY 15 H GLY 15 -0.448 -3.508 -6.061
112 1HA GLY 15 1HA GLY 15 -1.580 -4.687 -3.654
113 2HA GLY 15 2HA GLY 15 -2.144 -3.044 -3.947
114 H VAL 16 H VAL 16 -3.699 -5.388 -3.916
115 HA VAL 16 HA VAL 16 -4.715 -5.429 -6.742
116 HB VAL 16 HB VAL 16 -4.890 -7.792 -4.831
117 1HG1 VAL 16 1HG1 VAL 16 -5.269 -7.519 -7.873
118 2HG1 VAL 16 2HG1 VAL 16 -5.435 -9.015 -6.968
119 3HG1 VAL 16 3HG1 VAL 16 -6.578 -7.709 -6.720
120 1HG2 VAL 16 1HG2 VAL 16 -2.495 -7.343 -5.452
121 2HG2 VAL 16 2HG2 VAL 16 -3.081 -8.829 -6.170
122 3HG2 VAL 16 3HG2 VAL 16 -2.947 -7.378 -7.141
123 H CYS 17 H CYS 17 -6.726 -4.950 -7.048
124 HA CYS 17 HA CYS 17 -8.622 -4.825 -4.733
125 1HB CYS 17 1HB CYS 17 -7.677 -2.751 -6.376
126 2HB CYS 17 2HB CYS 17 -9.208 -3.141 -7.097
127 HA PRO 18 HA PRO 18 -11.215 -7.650 -6.728
128 1HB PRO 18 1HB PRO 18 -13.765 -6.407 -6.499
129 2HB PRO 18 2HB PRO 18 -13.006 -7.506 -5.357
130 1HG PRO 18 1HG PRO 18 -13.394 -4.630 -5.129
131 2HG PRO 18 2HG PRO 18 -12.853 -5.763 -3.900
132 1HD PRO 18 1HD PRO 18 -11.254 -3.853 -5.336
133 2HD PRO 18 2HD PRO 18 -10.694 -5.053 -4.157
134 H ARG 19 H ARG 19 -11.486 -8.156 -8.738
135 HA ARG 19 HA ARG 19 -11.581 -8.007 -11.037
136 1HB ARG 19 1HB ARG 19 -14.053 -6.672 -9.930
137 2HB ARG 19 2HB ARG 19 -13.791 -6.443 -11.640
138 1HG ARG 19 1HG ARG 19 -15.163 -8.418 -11.336
139 2HG ARG 19 2HG ARG 19 -13.604 -8.902 -11.967
140 1HD ARG 19 1HD ARG 19 -14.327 -10.408 -10.122
141 2HD ARG 19 2HD ARG 19 -12.872 -9.533 -9.655
142 HE ARG 19 HE ARG 19 -15.367 -8.198 -8.898
143 1HH1 ARG 19 1HH1 ARG 19 -12.930 -10.493 -7.989
144 2HH1 ARG 19 2HH1 ARG 19 -13.260 -10.337 -6.298
145 1HH2 ARG 19 1HH2 ARG 19 -15.799 -7.991 -6.770
146 2HH2 ARG 19 2HH2 ARG 19 -14.909 -8.902 -5.594
147 H SER 20 H SER 20 -9.842 -6.099 -9.859
148 HA SER 20 HA SER 20 -10.079 -3.691 -11.586
149 1HB SER 20 1HB SER 20 -8.075 -2.892 -10.249
150 2HB SER 20 2HB SER 20 -9.356 -3.448 -9.166
151 HG SER 20 HG SER 20 -7.631 -4.565 -8.496
152 H GLU 21 H GLU 21 -9.988 -5.708 -13.094
153 HA GLU 21 HA GLU 21 -8.910 -6.941 -14.754
154 1HB GLU 21 1HB GLU 21 -7.197 -4.414 -14.915
155 2HB GLU 21 2HB GLU 21 -7.598 -5.497 -16.234
156 1HG GLU 21 1HG GLU 21 -9.514 -3.644 -14.743
157 2HG GLU 21 2HG GLU 21 -9.035 -3.539 -16.423
158 H GLU 22 H GLU 22 -7.905 -7.376 -12.158
159 HA GLU 22 HA GLU 22 -6.256 -8.521 -11.002
160 1HB GLU 22 1HB GLU 22 -6.427 -10.049 -12.983
161 2HB GLU 22 2HB GLU 22 -5.313 -9.068 -13.894
162 1HG GLU 22 1HG GLU 22 -4.626 -10.667 -11.414
163 2HG GLU 22 2HG GLU 22 -4.219 -11.096 -13.058
164 H LYS 23 H LYS 23 -5.344 -6.826 -9.937
165 HA LYS 23 HA LYS 23 -3.426 -5.076 -11.257
166 1HB LYS 23 1HB LYS 23 -5.176 -4.938 -8.857
167 2HB LYS 23 2HB LYS 23 -3.665 -4.078 -8.689
168 1HG LYS 23 1HG LYS 23 -5.492 -3.665 -11.054
169 2HG LYS 23 2HG LYS 23 -5.566 -2.699 -9.595
170 1HD LYS 23 1HD LYS 23 -3.166 -2.052 -9.931
171 2HD LYS 23 2HD LYS 23 -3.113 -2.999 -11.406
172 1HE LYS 23 1HE LYS 23 -4.910 -1.591 -12.389
173 2HE LYS 23 2HE LYS 23 -4.964 -0.634 -10.913
174 1HZ LYS 23 1HZ LYS 23 -2.609 -0.955 -12.679
175 2HZ LYS 23 2HZ LYS 23 -3.615 0.411 -12.594
176 3HZ LYS 23 3HZ LYS 23 -2.664 -0.028 -11.256
177 H LYS 24 H LYS 24 -1.896 -6.995 -11.370
178 HA LYS 24 HA LYS 24 0.285 -6.522 -9.529
179 1HB LYS 24 1HB LYS 24 -1.006 -8.050 -8.036
180 2HB LYS 24 2HB LYS 24 -1.168 -9.246 -9.289
181 1HG LYS 24 1HG LYS 24 1.517 -8.320 -8.202
182 2HG LYS 24 2HG LYS 24 0.631 -9.665 -7.522
183 1HD LYS 24 1HD LYS 24 0.832 -10.911 -9.658
184 2HD LYS 24 2HD LYS 24 1.753 -9.599 -10.369
185 1HE LYS 24 1HE LYS 24 2.617 -11.109 -7.899
186 2HE LYS 24 2HE LYS 24 3.279 -11.301 -9.517
187 1HZ LYS 24 1HZ LYS 24 3.627 -8.757 -9.336
188 2HZ LYS 24 2HZ LYS 24 3.537 -9.046 -7.665
189 3HZ LYS 24 3HZ LYS 24 4.724 -9.823 -8.599
190 H ASN 25 H ASN 25 1.903 -6.573 -10.880
191 HA ASN 25 HA ASN 25 2.255 -8.758 -12.788
192 1HB ASN 25 1HB ASN 25 1.365 -6.000 -13.543
193 2HB ASN 25 2HB ASN 25 2.780 -6.524 -14.440
194 1HD2 ASN 25 2HD2 ASN 25 -0.598 -7.351 -13.725
195 2HD2 ASN 25 1HD2 ASN 25 -0.803 -8.380 -15.057
196 H ASP 26 H ASP 26 3.805 -9.068 -11.135
197 HA ASP 26 HA ASP 26 5.927 -8.993 -10.197
198 1HB ASP 26 1HB ASP 26 6.192 -8.458 -13.126
199 2HB ASP 26 2HB ASP 26 7.568 -7.871 -12.217
200 H ARG 27 H ARG 27 4.872 -7.374 -8.886
201 HA ARG 27 HA ARG 27 4.700 -5.406 -7.734
202 1HB ARG 27 1HB ARG 27 6.712 -6.218 -6.875
203 2HB ARG 27 2HB ARG 27 7.588 -5.908 -8.339
204 1HG ARG 27 1HG ARG 27 6.509 -3.524 -6.818
205 2HG ARG 27 2HG ARG 27 7.809 -4.391 -6.053
206 1HD ARG 27 1HD ARG 27 9.206 -3.074 -7.249
207 2HD ARG 27 2HD ARG 27 8.786 -4.046 -8.656
208 HE ARG 27 HE ARG 27 6.752 -2.219 -8.559
209 1HH1 ARG 27 1HH1 ARG 27 10.208 -1.954 -8.498
210 2HH1 ARG 27 2HH1 ARG 27 10.207 -0.402 -9.266
211 1HH2 ARG 27 1HH2 ARG 27 6.729 -0.276 -9.522
212 2HH2 ARG 27 2HH2 ARG 27 8.207 0.566 -9.858
213 H ILE 28 H ILE 28 3.532 -3.902 -8.589
214 HA ILE 28 HA ILE 28 4.254 -2.289 -10.844
215 HB ILE 28 HB ILE 28 1.933 -1.690 -9.046
216 1HG1 ILE 28 1HG1 ILE 28 1.884 -4.009 -11.096
217 2HG1 ILE 28 2HG1 ILE 28 1.979 -4.310 -9.377
218 1HG2 ILE 28 1HG2 ILE 28 2.294 -0.363 -11.093
219 2HG2 ILE 28 2HG2 ILE 28 2.275 -1.836 -12.048
220 3HG2 ILE 28 3HG2 ILE 28 0.822 -1.283 -11.228
221 1HD1 ILE 28 1HD1 ILE 28 -0.172 -3.177 -9.004
222 2HD1 ILE 28 2HD1 ILE 28 -0.338 -2.893 -10.731
223 3HD1 ILE 28 3HD1 ILE 28 -0.315 -4.525 -10.117
224 H CYS 29 H CYS 29 3.589 0.257 -10.252
225 HA CYS 29 HA CYS 29 5.209 1.005 -7.860
226 1HB CYS 29 1HB CYS 29 5.958 1.326 -10.416
227 2HB CYS 29 2HB CYS 29 4.940 2.715 -10.316
228 H THR 30 H THR 30 3.291 0.943 -6.703
229 HA THR 30 HA THR 30 1.557 3.342 -7.045
230 HB THR 30 HB THR 30 0.379 1.364 -8.011
231 HG1 THR 30 HG1 THR 30 -1.367 1.388 -6.340
232 1HG2 THR 30 1HG2 THR 30 0.658 0.156 -5.201
233 2HG2 THR 30 2HG2 THR 30 -0.259 -0.535 -6.531
234 3HG2 THR 30 3HG2 THR 30 1.489 -0.427 -6.630
235 H ASN 31 H ASN 31 -0.019 3.283 -4.968
236 HA ASN 31 HA ASN 31 1.452 2.657 -2.527
237 1HB ASN 31 1HB ASN 31 1.303 5.052 -1.708
238 2HB ASN 31 2HB ASN 31 2.297 4.937 -3.149
239 1HD2 ASN 31 2HD2 ASN 31 0.952 7.323 -2.255
240 2HD2 ASN 31 1HD2 ASN 31 -0.150 7.759 -3.469
241 H CYS 32 H CYS 32 0.305 2.640 -0.666
242 HA CYS 32 HA CYS 32 -2.347 1.734 -0.741
243 1HB CYS 32 1HB CYS 32 -0.967 1.291 1.188
244 2HB CYS 32 2HB CYS 32 -0.761 2.994 1.515
245 H CYS 33 H CYS 33 -1.144 4.978 -0.302
246 HA CYS 33 HA CYS 33 -3.449 6.340 0.562
247 1HB CYS 33 1HB CYS 33 -1.136 7.279 0.289
248 2HB CYS 33 2HB CYS 33 -1.380 7.301 -1.430
249 H ALA 34 H ALA 34 -2.437 5.494 -2.728
250 HA ALA 34 HA ALA 34 -4.680 6.725 -4.052
251 1HB ALA 34 1HB ALA 34 -2.902 4.413 -4.965
252 2HB ALA 34 2HB ALA 34 -3.976 5.337 -6.003
253 3HB ALA 34 3HB ALA 34 -2.595 6.119 -5.255
254 H GLY 35 H GLY 35 -3.979 3.334 -3.263
255 1HA GLY 35 1HA GLY 35 -6.301 2.120 -4.077
256 2HA GLY 35 2HA GLY 35 -5.341 1.549 -2.732
257 H THR 36 H THR 36 -8.235 1.560 -3.153
258 HA THR 36 HA THR 36 -9.027 2.782 -0.577
259 HB THR 36 HB THR 36 -10.982 2.758 -2.930
260 HG1 THR 36 HG1 THR 36 -8.992 3.838 -3.520
261 1HG2 THR 36 1HG2 THR 36 -11.796 3.535 -0.631
262 2HG2 THR 36 2HG2 THR 36 -10.593 4.805 -0.696
263 3HG2 THR 36 3HG2 THR 36 -11.889 4.762 -1.869
264 H LYS 37 H LYS 37 -11.478 1.901 -0.270
265 HA LYS 37 HA LYS 37 -11.456 -0.582 0.764
266 1HB LYS 37 1HB LYS 37 -13.469 0.437 1.166
267 2HB LYS 37 2HB LYS 37 -13.582 1.121 -0.441
268 1HG LYS 37 1HG LYS 37 -14.395 -1.029 -1.332
269 2HG LYS 37 2HG LYS 37 -14.163 -1.791 0.236
270 1HD LYS 37 1HD LYS 37 -15.829 -0.198 1.225
271 2HD LYS 37 2HD LYS 37 -16.054 0.536 -0.354
272 1HE LYS 37 1HE LYS 37 -17.841 -1.116 0.089
273 2HE LYS 37 2HE LYS 37 -16.844 -1.664 -1.250
274 1HZ LYS 37 1HZ LYS 37 -16.278 -2.498 1.519
275 2HZ LYS 37 2HZ LYS 37 -17.420 -3.315 0.566
276 3HZ LYS 37 3HZ LYS 37 -15.799 -3.233 0.066
277 H GLY 38 H GLY 38 -11.372 -2.611 0.227
278 1HA GLY 38 1HA GLY 38 -11.806 -4.561 -1.091
279 2HA GLY 38 2HA GLY 38 -11.953 -3.547 -2.521
280 H CYS 39 H CYS 39 -9.617 -2.026 -2.210
281 HA CYS 39 HA CYS 39 -7.660 -3.719 -3.398
282 1HB CYS 39 1HB CYS 39 -7.240 -1.029 -2.119
283 2HB CYS 39 2HB CYS 39 -6.219 -1.833 -3.265
284 H LYS 40 H LYS 40 -5.651 -4.300 -2.671
285 HA LYS 40 HA LYS 40 -5.114 -4.374 0.259
286 1HB LYS 40 1HB LYS 40 -5.150 -6.766 -1.611
287 2HB LYS 40 2HB LYS 40 -4.533 -6.820 0.030
288 1HG LYS 40 1HG LYS 40 -6.724 -6.231 0.949
289 2HG LYS 40 2HG LYS 40 -7.398 -5.985 -0.644
290 1HD LYS 40 1HD LYS 40 -6.368 -8.649 0.395
291 2HD LYS 40 2HD LYS 40 -8.055 -8.179 0.321
292 1HE LYS 40 1HE LYS 40 -6.189 -8.537 -2.080
293 2HE LYS 40 2HE LYS 40 -7.550 -9.548 -1.639
294 1HZ LYS 40 1HZ LYS 40 -8.995 -7.591 -1.919
295 2HZ LYS 40 2HZ LYS 40 -7.660 -6.723 -2.507
296 3HZ LYS 40 3HZ LYS 40 -8.225 -8.084 -3.351
297 H TYR 41 H TYR 41 -3.359 -3.088 0.185
298 HA TYR 41 HA TYR 41 -1.289 -3.476 -1.834
299 1HB TYR 41 1HB TYR 41 -1.903 -1.412 0.275
300 2HB TYR 41 2HB TYR 41 -0.329 -1.456 -0.474
301 HD1 TYR 41 HD1 TYR 41 -3.941 -1.668 -1.619
302 HD2 TYR 41 HD2 TYR 41 -0.058 -0.039 -2.295
303 HE1 TYR 41 HE1 TYR 41 -4.776 -0.414 -3.549
304 HE2 TYR 41 HE2 TYR 41 -0.913 1.195 -4.200
305 HH TYR 41 HH TYR 41 -3.608 2.063 -4.779
306 H PHE 42 H PHE 42 0.362 -4.738 -1.536
307 HA PHE 42 HA PHE 42 1.467 -5.260 1.156
308 1HB PHE 42 1HB PHE 42 2.120 -7.483 -0.496
309 2HB PHE 42 2HB PHE 42 0.990 -7.408 0.827
310 HD1 PHE 42 HD1 PHE 42 0.981 -6.401 -2.793
311 HD2 PHE 42 HD2 PHE 42 -1.087 -8.215 0.460
312 HE1 PHE 42 HE1 PHE 42 -0.923 -6.893 -4.252
313 HE2 PHE 42 HE2 PHE 42 -2.986 -8.713 -1.013
314 HZ PHE 42 HZ PHE 42 -2.898 -8.053 -3.373
315 H SER 43 H SER 43 3.608 -5.588 1.364
316 HA SER 43 HA SER 43 5.382 -4.114 -0.335
317 1HB SER 43 1HB SER 43 5.864 -5.899 2.076
318 2HB SER 43 2HB SER 43 6.977 -4.739 1.389
319 HG SER 43 HG SER 43 6.012 -3.358 2.604
320 H ASP 44 H ASP 44 7.574 -5.228 -0.518
321 HA ASP 44 HA ASP 44 7.248 -7.497 -2.393
322 1HB ASP 44 1HB ASP 44 8.843 -5.217 -2.488
323 2HB ASP 44 2HB ASP 44 10.001 -6.422 -1.958
324 H ASP 45 H ASP 45 8.341 -6.817 0.738
325 HA ASP 45 HA ASP 45 10.079 -9.100 1.133
326 1HB ASP 45 1HB ASP 45 10.295 -7.041 2.479
327 2HB ASP 45 2HB ASP 45 8.653 -7.210 3.064
328 H GLY 46 H GLY 46 6.876 -9.056 0.480
329 1HA GLY 46 1HA GLY 46 5.215 -10.602 0.675
330 2HA GLY 46 2HA GLY 46 6.400 -11.703 1.427
331 H THR 47 H THR 47 4.900 -8.575 2.092
332 HA THR 47 HA THR 47 3.814 -9.414 4.591
333 HB THR 47 HB THR 47 5.954 -7.236 4.352
334 HG1 THR 47 HG1 THR 47 6.874 -9.202 4.519
335 1HG2 THR 47 1HG2 THR 47 4.474 -8.247 6.866
336 2HG2 THR 47 2HG2 THR 47 5.726 -7.014 6.850
337 3HG2 THR 47 3HG2 THR 47 4.159 -6.683 6.131
338 H PHE 48 H PHE 48 1.864 -8.731 4.452
339 HA PHE 48 HA PHE 48 0.861 -6.757 2.666
340 1HB PHE 48 1HB PHE 48 -0.552 -8.559 3.382
341 2HB PHE 48 2HB PHE 48 -0.274 -8.210 5.074
342 HD1 PHE 48 HD1 PHE 48 -1.303 -6.287 6.137
343 HD2 PHE 48 HD2 PHE 48 -2.274 -7.277 2.103
344 HE1 PHE 48 HE1 PHE 48 -3.292 -4.866 6.275
345 HE2 PHE 48 HE2 PHE 48 -4.265 -5.852 2.251
346 HZ PHE 48 HZ PHE 48 -4.769 -4.648 4.347
347 H VAL 49 H VAL 49 0.464 -4.684 2.845
348 HA VAL 49 HA VAL 49 1.348 -3.265 5.319
349 HB VAL 49 HB VAL 49 0.991 -2.214 2.476
350 1HG1 VAL 49 1HG1 VAL 49 2.215 -0.888 4.943
351 2HG1 VAL 49 2HG1 VAL 49 2.193 -0.208 3.325
352 3HG1 VAL 49 3HG1 VAL 49 0.692 -0.426 4.202
353 1HG2 VAL 49 1HG2 VAL 49 3.479 -2.921 4.089
354 2HG2 VAL 49 2HG2 VAL 49 2.853 -3.831 2.723
355 3HG2 VAL 49 3HG2 VAL 49 3.485 -2.215 2.485
356 H CYS 50 H CYS 50 -1.218 -2.695 2.800
357 HA CYS 50 HA CYS 50 -3.122 -2.233 5.030
358 1HB CYS 50 1HB CYS 50 -3.497 0.000 4.665
359 2HB CYS 50 2HB CYS 50 -1.866 -0.015 4.056
360 H GLU 51 H GLU 51 -5.297 -1.644 4.086
361 HA GLU 51 HA GLU 51 -5.795 -3.022 1.501
362 1HB GLU 51 1HB GLU 51 -6.407 -4.758 3.015
363 2HB GLU 51 2HB GLU 51 -6.961 -3.640 4.245
364 1HG GLU 51 1HG GLU 51 -9.033 -3.209 2.970
365 2HG GLU 51 2HG GLU 51 -8.441 -4.154 1.617
366 H GLY 52 H GLY 52 -6.136 -1.162 0.480
367 1HA GLY 52 1HA GLY 52 -7.311 0.675 -0.310
368 2HA GLY 52 2HA GLY 52 -8.650 0.128 0.702
369 H GLU 53 H GLU 53 -9.194 2.233 1.256
370 HA GLU 53 HA GLU 53 -7.737 3.310 3.554
371 1HB GLU 53 1HB GLU 53 -7.298 5.512 2.634
372 2HB GLU 53 2HB GLU 53 -6.608 4.358 1.512
373 1HG GLU 53 1HG GLU 53 -8.780 4.529 0.175
374 2HG GLU 53 2HG GLU 53 -9.234 5.870 1.200
375 H SER 54 H SER 54 -10.424 3.565 1.263
376 HA SER 54 HA SER 54 -12.151 4.493 3.534
377 1HB SER 54 1HB SER 54 -12.183 5.593 0.658
378 2HB SER 54 2HB SER 54 -13.317 6.041 1.936
379 HG SER 54 HG SER 54 -11.252 6.397 3.186