NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
584866 |
2mvc   |
25260 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 3H0 GLY 1 3.401 0.471 -1.183
2 H2 GLY 1 2H0 GLY 1 3.093 1.029 0.340
3 H3 GLY 1 1H0 GLY 1 1.923 0.216 -0.493
4 HA2 GLY 1 1HA GLY 1 1.468 2.573 -0.474
5 HA3 GLY 1 2HA GLY 1 3.049 2.830 -1.237
6 H ILE 2 H ILE 2 0.853 3.841 -2.529
7 HA ILE 2 HA ILE 2 -0.469 2.024 -4.265
8 HB ILE 2 HB ILE 2 -1.238 4.313 -3.672
9 HG12 ILE 2 1HG1 ILE 2 -0.992 3.863 -6.660
10 HG13 ILE 2 2HG1 ILE 2 -2.097 2.984 -5.604
11 HG21 ILE 2 1HG2 ILE 2 0.898 5.307 -5.622
12 HG22 ILE 2 2HG2 ILE 2 -0.339 6.301 -4.835
13 HG23 ILE 2 3HG2 ILE 2 0.922 5.534 -3.861
14 HD11 ILE 2 3HD1 ILE 2 -3.309 4.744 -6.717
15 HD12 ILE 2 1HD1 ILE 2 -3.182 5.157 -4.995
16 HD13 ILE 2 2HD1 ILE 2 -2.138 5.971 -6.192
17 H VAL 3 H VAL 3 2.691 3.576 -4.595
18 HA VAL 3 HA VAL 3 3.026 3.200 -7.378
19 HB VAL 3 HB VAL 3 5.156 3.070 -5.192
20 HG11 VAL 3 1HG1 VAL 3 5.366 3.594 -8.194
21 HG12 VAL 3 2HG1 VAL 3 6.694 3.826 -7.033
22 HG13 VAL 3 3HG1 VAL 3 6.030 2.203 -7.312
23 HG21 VAL 3 3HG2 VAL 3 5.506 5.493 -5.779
24 HG22 VAL 3 1HG2 VAL 3 4.048 5.418 -6.797
25 HG23 VAL 3 2HG2 VAL 3 3.927 5.176 -5.039
26 H GLU 4 H GLU 4 3.539 0.952 -4.641
27 HA GLU 4 HA GLU 4 4.800 -1.088 -6.196
28 HB2 GLU 4 1HB GLU 4 3.216 -1.122 -3.622
29 HB3 GLU 4 2HB GLU 4 3.783 -2.615 -4.371
30 HG2 GLU 4 1HG GLU 4 5.393 -2.008 -2.750
31 HG3 GLU 4 2HG GLU 4 6.096 -1.699 -4.344
32 HE2 GLU 4 HE2 GLU 4 7.219 -0.154 -4.197
33 H GLN 5 H GLN 5 1.345 -0.426 -5.506
34 HA GLN 5 HA GLN 5 0.319 -2.824 -6.610
35 HB2 GLN 5 1HB GLN 5 -0.969 -1.102 -5.295
36 HB3 GLN 5 2HB GLN 5 -0.943 -0.056 -6.720
37 HG2 GLN 5 1HG GLN 5 -2.189 -1.775 -8.001
38 HG3 GLN 5 2HG GLN 5 -2.226 -2.807 -6.564
39 HE21 GLN 5 2HE2 GLN 5 -4.143 -2.779 -5.607
40 HE22 GLN 5 1HE2 GLN 5 -5.198 -1.394 -5.479
41 H CYS 6 H CYS 6 1.208 0.281 -8.145
42 HA CYS 6 HA CYS 6 0.208 -0.620 -10.726
43 HB2 CYS 6 1HB CYS 6 1.985 1.748 -10.067
44 HB3 CYS 6 2HB CYS 6 1.085 1.488 -11.562
45 H CYS 7 H CYS 7 3.366 -0.594 -9.112
46 HA CYS 7 HA CYS 7 4.813 -1.156 -11.551
47 HB2 CYS 7 1HB CYS 7 5.510 -1.521 -8.622
48 HB3 CYS 7 2HB CYS 7 6.630 -1.873 -9.945
49 H THR 8 H THR 8 3.623 -3.232 -8.842
50 HA THR 8 HA THR 8 4.711 -5.580 -10.235
51 HB THR 8 HB THR 8 4.817 -5.206 -7.697
52 HG1 THR 8 HG1 THR 8 3.844 -7.597 -8.895
53 HG21 THR 8 1HG2 THR 8 2.991 -5.772 -6.335
54 HG22 THR 8 2HG2 THR 8 2.079 -6.495 -7.679
55 HG23 THR 8 3HG2 THR 8 2.256 -4.730 -7.568
56 H SER 9 H SER 9 1.659 -3.957 -10.138
57 HA SER 9 HA SER 9 0.559 -6.193 -11.729
58 HB2 SER 9 1HB SER 9 -0.156 -6.462 -9.262
59 HB3 SER 9 2HB SER 9 -1.057 -4.941 -9.443
60 HG SER 9 HG SER 9 -2.206 -7.015 -9.864
61 H ILE 10 H ILE 10 -2.057 -5.074 -12.022
62 HA ILE 10 HA ILE 10 -1.147 -2.784 -13.709
63 HB ILE 10 HB ILE 10 -3.439 -4.718 -14.194
64 HG12 ILE 10 1HG1 ILE 10 -0.607 -4.464 -15.265
65 HG13 ILE 10 2HG1 ILE 10 -1.280 -5.808 -14.346
66 HG21 ILE 10 1HG2 ILE 10 -2.239 -2.596 -16.041
67 HG22 ILE 10 2HG2 ILE 10 -3.638 -3.645 -16.370
68 HG23 ILE 10 3HG2 ILE 10 -3.758 -2.385 -15.143
69 HD11 ILE 10 3HD1 ILE 10 -1.773 -5.085 -17.206
70 HD12 ILE 10 1HD1 ILE 10 -1.062 -6.560 -16.532
71 HD13 ILE 10 2HD1 ILE 10 -2.803 -6.235 -16.317
72 H CYS 11 H CYS 11 -1.572 -0.939 -12.745
73 HA CYS 11 HA CYS 11 -3.987 -0.497 -11.176
74 HB2 CYS 11 1HB CYS 11 -1.768 1.265 -12.244
75 HB3 CYS 11 2HB CYS 11 -3.231 1.967 -11.544
76 H SER 12 H SER 12 -5.931 -0.169 -11.996
77 HA SER 12 HA SER 12 -6.348 0.393 -14.835
78 HB2 SER 12 1HB SER 12 -8.730 0.455 -14.175
79 HB3 SER 12 2HB SER 12 -7.937 -0.983 -13.491
80 HG SER 12 HG SER 12 -8.974 -0.126 -11.791
81 H LEU 13 H LEU 13 -7.790 2.386 -15.350
82 HA LEU 13 HA LEU 13 -6.406 4.737 -14.610
83 HB2 LEU 13 1HB LEU 13 -8.103 5.947 -15.779
84 HB3 LEU 13 2HB LEU 13 -7.734 4.473 -16.656
85 HG LEU 13 HG LEU 13 -9.902 3.629 -15.243
86 HD11 LEU 13 1HD1 LEU 13 -10.322 5.822 -14.213
87 HD12 LEU 13 2HD1 LEU 13 -11.613 5.423 -15.357
88 HD13 LEU 13 3HD1 LEU 13 -10.354 6.591 -15.818
89 HD21 LEU 13 3HD2 LEU 13 -11.171 4.006 -17.316
90 HD22 LEU 13 1HD2 LEU 13 -9.534 3.417 -17.663
91 HD23 LEU 13 2HD2 LEU 13 -9.924 5.141 -17.884
92 H TYR 14 H TYR 14 -9.097 3.101 -13.036
93 HA TYR 14 HA TYR 14 -9.969 5.317 -11.447
94 HB2 TYR 14 1HB TYR 14 -10.080 2.387 -10.696
95 HB3 TYR 14 2HB TYR 14 -11.174 3.677 -10.183
96 HD1 TYR 14 HD1 TYR 14 -12.447 4.912 -12.220
97 HD2 TYR 14 HD2 TYR 14 -10.742 0.966 -12.420
98 HE1 TYR 14 HE1 TYR 14 -13.910 4.370 -14.170
99 HE2 TYR 14 HE2 TYR 14 -12.204 0.437 -14.375
100 HH TYR 14 HH TYR 14 -13.874 1.181 -15.760
101 H GLN 15 H GLN 15 -7.504 2.775 -10.971
102 HA GLN 15 HA GLN 15 -6.894 3.546 -8.249
103 HB2 GLN 15 1HB GLN 15 -5.156 2.122 -10.302
104 HB3 GLN 15 2HB GLN 15 -4.868 2.186 -8.562
105 HG2 GLN 15 1HG GLN 15 -7.173 0.817 -9.986
106 HG3 GLN 15 2HG GLN 15 -5.812 0.036 -9.170
107 HE21 GLN 15 2HE2 GLN 15 -5.571 0.852 -6.769
108 HE22 GLN 15 1HE2 GLN 15 -7.081 0.884 -5.875
109 H LEU 16 H LEU 16 -5.685 4.350 -11.472
110 HA LEU 16 HA LEU 16 -3.451 5.900 -10.645
111 HB2 LEU 16 1HB LEU 16 -5.108 5.927 -13.167
112 HB3 LEU 16 2HB LEU 16 -3.657 6.906 -12.958
113 HG LEU 16 HG LEU 16 -3.710 3.876 -12.716
114 HD11 LEU 16 1HD1 LEU 16 -4.269 4.585 -15.001
115 HD12 LEU 16 2HD1 LEU 16 -2.678 3.818 -14.920
116 HD13 LEU 16 3HD1 LEU 16 -2.799 5.590 -15.049
117 HD21 LEU 16 3HD2 LEU 16 -1.841 4.887 -11.500
118 HD22 LEU 16 1HD2 LEU 16 -1.408 5.857 -12.925
119 HD23 LEU 16 2HD2 LEU 16 -1.250 4.086 -12.963
120 H GLU 17 H GLU 17 -6.866 6.828 -11.003
121 HA GLU 17 HA GLU 17 -6.611 9.636 -10.987
122 HB2 GLU 17 1HB GLU 17 -8.627 7.757 -9.739
123 HB3 GLU 17 2HB GLU 17 -8.798 9.500 -9.594
124 HG2 GLU 17 1HG GLU 17 -8.530 8.151 -12.285
125 HG3 GLU 17 2HG GLU 17 -10.086 8.323 -11.473
126 HE2 GLU 17 HE2 GLU 17 -8.992 9.363 -13.807
127 H ASN 18 H ASN 18 -6.125 7.396 -8.285
128 HA ASN 18 HA ASN 18 -6.358 9.266 -6.156
129 HB2 ASN 18 1HB ASN 18 -4.756 6.718 -6.421
130 HB3 ASN 18 2HB ASN 18 -4.894 7.630 -4.912
131 HD21 ASN 18 2HD2 ASN 18 -6.348 5.354 -6.997
132 HD22 ASN 18 1HD2 ASN 18 -7.843 5.165 -6.105
133 H TYR 19 H TYR 19 -3.746 8.823 -8.450
134 HA TYR 19 HA TYR 19 -1.634 9.978 -6.806
135 HB2 TYR 19 1HB TYR 19 -2.037 9.465 -9.745
136 HB3 TYR 19 2HB TYR 19 -0.594 10.261 -9.164
137 HD1 TYR 19 HD1 TYR 19 -2.429 7.034 -9.167
138 HD2 TYR 19 HD2 TYR 19 1.190 9.082 -8.078
139 HE1 TYR 19 HE1 TYR 19 -1.289 4.847 -8.848
140 HE2 TYR 19 HE2 TYR 19 2.322 6.880 -7.757
141 HH TYR 19 HH TYR 19 0.631 3.782 -8.312
142 H CYS 20 H CYS 20 -4.407 11.385 -8.174
143 HA CYS 20 HA CYS 20 -3.202 14.065 -7.972
144 HB2 CYS 20 1HB CYS 20 -4.424 14.662 -10.063
145 HB3 CYS 20 2HB CYS 20 -3.041 13.620 -10.277
146 H ASN 21 H ASN 21 -5.201 15.659 -8.442
147 HA ASN 21 HA ASN 21 -7.645 14.592 -7.128
148 HB2 ASN 21 1HB ASN 21 -6.302 15.556 -5.288
149 HB3 ASN 21 2HB ASN 21 -6.216 17.106 -6.128
150 HD21 ASN 21 2HD2 ASN 21 -8.099 15.017 -4.137
151 HD22 ASN 21 1HD2 ASN 21 -9.496 16.058 -4.017
152 HXT ASN 21 H02 ASN 21 -6.686 17.661 -7.984
153 H1 PHE 1 3H0 PHE 1 -8.723 3.181 -22.793
154 H2 PHE 1 2H0 PHE 1 -8.014 2.266 -23.969
155 H3 PHE 1 1H0 PHE 1 -8.914 1.541 -22.792
156 HA PHE 1 HA PHE 1 -6.356 2.951 -22.392
157 HB2 PHE 1 1HB PHE 1 -8.182 3.049 -20.559
158 HB3 PHE 1 2HB PHE 1 -7.904 1.316 -20.356
159 HD1 PHE 1 HD2 PHE 1 -6.418 4.701 -19.999
160 HD2 PHE 1 HD1 PHE 1 -5.884 0.488 -19.263
161 HE1 PHE 1 HE2 PHE 1 -4.519 5.213 -18.475
162 HE2 PHE 1 HE1 PHE 1 -3.976 0.995 -17.742
163 HZ PHE 1 HZ PHE 1 -3.284 3.360 -17.354
164 H VAL 2 H VAL 2 -4.527 1.542 -22.074
165 HA VAL 2 HA VAL 2 -5.042 -1.272 -22.976
166 HB VAL 2 HB VAL 2 -2.520 0.442 -23.299
167 HG11 VAL 2 1HG1 VAL 2 -3.162 -2.376 -24.294
168 HG12 VAL 2 2HG1 VAL 2 -1.719 -1.435 -24.735
169 HG13 VAL 2 3HG1 VAL 2 -1.958 -1.942 -23.054
170 HG21 VAL 2 3HG2 VAL 2 -4.262 1.224 -24.828
171 HG22 VAL 2 1HG2 VAL 2 -3.043 0.325 -25.746
172 HG23 VAL 2 2HG2 VAL 2 -4.599 -0.443 -25.353
173 H ASN 3 H ASN 3 -4.416 -2.868 -21.539
174 HA ASN 3 HA ASN 3 -3.493 -1.990 -18.925
175 HB2 ASN 3 1HB ASN 3 -3.402 -4.340 -18.320
176 HB3 ASN 3 2HB ASN 3 -4.981 -3.947 -19.036
177 HD21 ASN 3 2HD2 ASN 3 -5.441 -4.766 -21.151
178 HD22 ASN 3 1HD2 ASN 3 -4.536 -6.119 -21.786
179 H GLN 4 H GLN 4 -1.563 -1.996 -18.088
180 HA GLN 4 HA GLN 4 0.557 -3.686 -19.077
181 HB2 GLN 4 1HB GLN 4 2.134 -1.740 -19.447
182 HB3 GLN 4 2HB GLN 4 0.917 -1.950 -20.710
183 HG2 GLN 4 1HG GLN 4 -0.446 -0.163 -19.672
184 HG3 GLN 4 2HG GLN 4 0.820 0.083 -18.473
185 HE21 GLN 4 2HE2 GLN 4 -0.386 1.001 -21.453
186 HE22 GLN 4 1HE2 GLN 4 1.010 1.878 -22.034
187 H HIS 5 H HIS 5 2.083 -3.868 -17.416
188 HA HIS 5 HA HIS 5 1.447 -2.767 -14.789
189 HB2 HIS 5 1HB HIS 5 4.015 -4.020 -15.867
190 HB3 HIS 5 2HB HIS 5 3.741 -3.563 -14.178
191 HD1 HIS 5 HD1 HIS 5 1.172 -4.681 -13.372
192 HD2 HIS 5 HD2 HIS 5 3.597 -6.723 -16.012
193 HE1 HIS 5 HE1 HIS 5 0.434 -7.136 -13.347
194 HE2 HIS 5 HE2 HIS 5 1.957 -8.351 -14.940
195 H LEU 6 H LEU 6 2.363 -0.928 -13.810
196 HA LEU 6 HA LEU 6 3.744 0.927 -15.724
197 HB2 LEU 6 1HB LEU 6 1.451 1.423 -13.811
198 HB3 LEU 6 2HB LEU 6 2.385 2.713 -14.551
199 HG LEU 6 HG LEU 6 0.803 0.678 -16.136
200 HD11 LEU 6 1HD1 LEU 6 -0.861 2.478 -16.400
201 HD12 LEU 6 2HD1 LEU 6 0.058 3.488 -15.258
202 HD13 LEU 6 3HD1 LEU 6 -0.693 1.968 -14.711
203 HD21 LEU 6 3HD2 LEU 6 2.139 3.308 -16.865
204 HD22 LEU 6 1HD2 LEU 6 1.007 2.447 -17.920
205 HD23 LEU 6 2HD2 LEU 6 2.544 1.686 -17.482
206 H CYS 7 H CYS 7 5.763 1.061 -14.944
207 HA CYS 7 HA CYS 7 6.030 2.100 -12.170
208 HB2 CYS 7 1HB CYS 7 6.593 -0.473 -12.606
209 HB3 CYS 7 2HB CYS 7 8.086 0.199 -13.266
210 H GLY 8 H GLY 8 8.020 3.387 -11.923
211 HA2 GLY 8 1HA GLY 8 9.577 4.913 -12.692
212 HA3 GLY 8 2HA GLY 8 9.811 3.838 -14.080
213 H SER 9 H SER 9 9.941 5.324 -15.695
214 HA SER 9 HA SER 9 8.358 7.650 -15.965
215 HB2 SER 9 1HB SER 9 9.023 7.268 -18.470
216 HB3 SER 9 2HB SER 9 10.295 7.564 -17.260
217 HG SER 9 HG SER 9 10.828 5.770 -18.529
218 H HIS 10 H HIS 10 7.611 4.291 -16.852
219 HA HIS 10 HA HIS 10 5.514 4.896 -18.715
220 HB2 HIS 10 1HB HIS 10 6.265 2.548 -17.024
221 HB3 HIS 10 2HB HIS 10 4.605 2.622 -17.604
222 HD1 HIS 10 HD1 HIS 10 4.201 1.513 -19.806
223 HD2 HIS 10 HD2 HIS 10 8.144 2.930 -19.417
224 HE1 HIS 10 HE1 HIS 10 5.450 0.811 -21.892
225 HE2 HIS 10 HE2 HIS 10 7.827 1.665 -21.657
226 H LEU 11 H LEU 11 5.559 4.615 -15.162
227 HA LEU 11 HA LEU 11 2.715 4.836 -14.838
228 HB2 LEU 11 1HB LEU 11 4.274 3.982 -13.111
229 HB3 LEU 11 2HB LEU 11 4.999 5.576 -12.978
230 HG LEU 11 HG LEU 11 2.943 6.487 -12.031
231 HD11 LEU 11 1HD1 LEU 11 1.245 5.107 -13.091
232 HD12 LEU 11 2HD1 LEU 11 1.118 4.949 -11.331
233 HD13 LEU 11 3HD1 LEU 11 1.878 3.651 -12.283
234 HD21 LEU 11 3HD2 LEU 11 3.080 5.311 -9.891
235 HD22 LEU 11 1HD2 LEU 11 4.695 5.471 -10.606
236 HD23 LEU 11 2HD2 LEU 11 3.841 3.909 -10.679
237 H VAL 12 H VAL 12 5.383 7.204 -14.853
238 HA VAL 12 HA VAL 12 3.825 9.474 -14.172
239 HB VAL 12 HB VAL 12 6.345 9.279 -15.896
240 HG11 VAL 12 1HG1 VAL 12 5.226 11.455 -16.174
241 HG12 VAL 12 2HG1 VAL 12 5.202 11.669 -14.407
242 HG13 VAL 12 3HG1 VAL 12 6.748 11.619 -15.283
243 HG21 VAL 12 3HG2 VAL 12 5.979 9.727 -12.900
244 HG22 VAL 12 1HG2 VAL 12 6.687 8.293 -13.675
245 HG23 VAL 12 2HG2 VAL 12 7.526 9.851 -13.769
246 H GLU 13 H GLU 13 4.660 8.131 -17.421
247 HA GLU 13 HA GLU 13 3.275 10.251 -18.784
248 HB2 GLU 13 1HB GLU 13 4.045 7.484 -19.752
249 HB3 GLU 13 2HB GLU 13 3.430 8.792 -20.770
250 HG2 GLU 13 1HG GLU 13 6.050 8.709 -19.252
251 HG3 GLU 13 2HG GLU 13 5.820 8.793 -21.001
252 HE2 GLU 13 HE2 GLU 13 4.391 10.618 -21.493
253 H ALA 14 H ALA 14 2.192 7.198 -17.430
254 HA ALA 14 HA ALA 14 -0.330 7.167 -18.856
255 HB1 ALA 14 3HB ALA 14 0.625 5.151 -17.782
256 HB2 ALA 14 1HB ALA 14 0.458 5.925 -16.187
257 HB3 ALA 14 2HB ALA 14 -0.992 5.527 -17.138
258 H LEU 15 H LEU 15 0.864 8.505 -15.778
259 HA LEU 15 HA LEU 15 -1.691 9.287 -14.784
260 HB2 LEU 15 1HB LEU 15 1.137 10.180 -14.227
261 HB3 LEU 15 2HB LEU 15 -0.242 10.925 -13.426
262 HG LEU 15 HG LEU 15 0.372 7.966 -13.281
263 HD11 LEU 15 1HD1 LEU 15 1.196 8.348 -11.054
264 HD12 LEU 15 2HD1 LEU 15 0.868 10.089 -11.190
265 HD13 LEU 15 3HD1 LEU 15 2.129 9.337 -12.196
266 HD21 LEU 15 3HD2 LEU 15 -1.578 9.759 -11.864
267 HD22 LEU 15 1HD2 LEU 15 -1.231 8.071 -11.415
268 HD23 LEU 15 2HD2 LEU 15 -1.954 8.432 -12.981
269 H TYR 16 H TYR 16 0.563 10.942 -16.970
270 HA TYR 16 HA TYR 16 -0.635 13.524 -16.861
271 HB2 TYR 16 1HB TYR 16 0.797 11.969 -19.020
272 HB3 TYR 16 2HB TYR 16 -0.015 13.482 -19.426
273 HD1 TYR 16 HD1 TYR 16 0.608 15.608 -18.075
274 HD2 TYR 16 HD2 TYR 16 3.013 12.048 -18.125
275 HE1 TYR 16 HE1 TYR 16 2.593 16.922 -17.318
276 HE2 TYR 16 HE2 TYR 16 4.990 13.364 -17.395
277 HH TYR 16 HH TYR 16 5.793 15.422 -16.828
278 H LEU 17 H LEU 17 -1.537 10.602 -18.708
279 HA LEU 17 HA LEU 17 -3.655 11.934 -20.137
280 HB2 LEU 17 1HB LEU 17 -3.252 8.996 -19.527
281 HB3 LEU 17 2HB LEU 17 -4.385 9.667 -20.687
282 HG LEU 17 HG LEU 17 -1.364 9.936 -20.888
283 HD11 LEU 17 1HD1 LEU 17 -2.073 7.584 -21.026
284 HD12 LEU 17 2HD1 LEU 17 -1.509 8.179 -22.603
285 HD13 LEU 17 3HD1 LEU 17 -3.253 8.008 -22.293
286 HD21 LEU 17 3HD2 LEU 17 -1.847 10.533 -23.253
287 HD22 LEU 17 1HD2 LEU 17 -2.544 11.699 -22.114
288 HD23 LEU 17 2HD2 LEU 17 -3.590 10.491 -22.896
289 H VAL 18 H VAL 18 -3.615 9.878 -17.204
290 HA VAL 18 HA VAL 18 -6.502 9.727 -17.107
291 HB VAL 18 HB VAL 18 -4.408 9.133 -14.955
292 HG11 VAL 18 1HG1 VAL 18 -6.229 7.747 -13.920
293 HG12 VAL 18 2HG1 VAL 18 -6.574 9.482 -13.887
294 HG13 VAL 18 3HG1 VAL 18 -7.378 8.440 -15.087
295 HG21 VAL 18 3HG2 VAL 18 -4.115 7.713 -16.906
296 HG22 VAL 18 1HG2 VAL 18 -4.867 6.761 -15.621
297 HG23 VAL 18 2HG2 VAL 18 -5.855 7.360 -16.969
298 H CYS 19 H CYS 19 -4.056 11.728 -15.447
299 HA CYS 19 HA CYS 19 -6.152 13.029 -13.877
300 HB2 CYS 19 1HB CYS 19 -3.201 13.612 -14.171
301 HB3 CYS 19 2HB CYS 19 -4.291 14.374 -12.997
302 H GLY 20 H GLY 20 -4.574 13.532 -16.974
303 HA2 GLY 20 1HA GLY 20 -4.959 15.152 -18.553
304 HA3 GLY 20 2HA GLY 20 -6.448 15.545 -17.677
305 H GLU 21 H GLU 21 -6.377 17.715 -17.848
306 HA GLU 21 HA GLU 21 -4.037 19.311 -17.497
307 HB2 GLU 21 1HB GLU 21 -6.987 20.010 -17.325
308 HB3 GLU 21 2HB GLU 21 -5.675 21.192 -17.386
309 HG2 GLU 21 1HG GLU 21 -4.991 20.317 -19.601
310 HG3 GLU 21 2HG GLU 21 -6.337 19.168 -19.556
311 HE2 GLU 21 HE2 GLU 21 -7.402 21.967 -21.434
312 H ARG 22 H ARG 22 -5.842 17.715 -15.074
313 HA ARG 22 HA ARG 22 -5.685 19.756 -13.010
314 HB2 ARG 22 1HB ARG 22 -5.908 16.728 -12.867
315 HB3 ARG 22 2HB ARG 22 -6.012 17.798 -11.469
316 HG2 ARG 22 1HG ARG 22 -8.017 18.842 -12.328
317 HG3 ARG 22 2HG ARG 22 -7.914 17.908 -13.835
318 HD2 ARG 22 1HD ARG 22 -8.105 16.629 -11.098
319 HD3 ARG 22 2HD ARG 22 -9.528 17.026 -12.080
320 HE ARG 22 HE ARG 22 -7.873 15.563 -13.772
321 HH11 ARG 22 1HH1 ARG 22 -9.361 14.882 -10.622
322 HH12 ARG 22 2HH1 ARG 22 -9.527 13.175 -10.995
323 HH21 ARG 22 1HH2 ARG 22 -8.168 13.393 -14.147
324 HH22 ARG 22 2HH2 ARG 22 -8.863 12.369 -12.913
325 H GLY 23 H GLY 23 -3.416 17.524 -14.420
326 HA2 GLY 23 1HA GLY 23 -1.144 17.289 -13.962
327 HA3 GLY 23 2HA GLY 23 -1.294 18.485 -12.655
328 H PHE 24 H PHE 24 0.247 16.519 -11.898
329 HA PHE 24 HA PHE 24 -1.285 15.057 -9.897
330 HB2 PHE 24 1HB PHE 24 -0.604 12.831 -10.595
331 HB3 PHE 24 2HB PHE 24 -1.551 13.582 -11.877
332 HD1 PHE 24 HD1 PHE 24 -0.504 14.349 -13.956
333 HD2 PHE 24 HD2 PHE 24 1.718 12.296 -10.913
334 HE1 PHE 24 HE1 PHE 24 1.308 13.908 -15.578
335 HE2 PHE 24 HE2 PHE 24 3.519 11.816 -12.536
336 HZ PHE 24 HZ PHE 24 3.324 12.642 -14.894
337 H PHE 25 H PHE 25 0.436 13.538 -8.745
338 HA PHE 25 HA PHE 25 3.127 14.807 -8.889
339 HB2 PHE 25 1HB PHE 25 3.250 14.872 -6.441
340 HB3 PHE 25 2HB PHE 25 1.933 15.894 -7.029
341 HD1 PHE 25 HD2 PHE 25 -0.418 15.283 -6.645
342 HD2 PHE 25 HD1 PHE 25 2.796 12.832 -5.163
343 HE1 PHE 25 HE2 PHE 25 -2.026 14.080 -5.175
344 HE2 PHE 25 HE1 PHE 25 1.194 11.622 -3.686
345 HZ PHE 25 HZ PHE 25 -1.224 12.235 -3.700
346 H TYR 26 H TYR 26 4.708 13.411 -7.612
347 HA TYR 26 HA TYR 26 3.907 10.549 -7.615
348 HB2 TYR 26 1HB TYR 26 4.997 10.961 -9.785
349 HB3 TYR 26 2HB TYR 26 6.374 11.715 -8.966
350 HD1 TYR 26 HD2 TYR 26 4.429 8.467 -8.935
351 HD2 TYR 26 HD1 TYR 26 8.265 10.386 -8.537
352 HE1 TYR 26 HE2 TYR 26 5.529 6.239 -8.665
353 HE2 TYR 26 HE1 TYR 26 9.351 8.153 -8.306
354 HH TYR 26 HH TYR 26 9.057 5.901 -8.234
355 H THR 27 H THR 27 5.225 9.299 -6.203
356 HA THR 27 HA THR 27 6.616 10.937 -4.133
357 HB THR 27 HB THR 27 4.802 10.140 -2.955
358 HG1 THR 27 HG1 THR 27 6.733 8.051 -2.912
359 HG21 THR 27 1HG2 THR 27 4.913 7.728 -4.778
360 HG22 THR 27 2HG2 THR 27 3.634 8.965 -4.656
361 HG23 THR 27 3HG2 THR 27 3.877 7.805 -3.333
362 HA PRO 28 HA PRO 28 9.782 8.095 -5.857
363 HB2 PRO 28 1HB PRO 28 11.885 9.821 -5.777
364 HB3 PRO 28 2HB PRO 28 10.638 9.919 -7.064
365 HG2 PRO 28 1HG PRO 28 10.878 11.513 -4.530
366 HG3 PRO 28 2HG PRO 28 10.600 12.087 -6.203
367 HD2 PRO 28 1HD PRO 28 8.582 11.737 -4.392
368 HD3 PRO 28 2HD PRO 28 8.335 11.469 -6.150
369 H LYS 29 H LYS 29 11.799 7.247 -4.819
370 HA LYS 29 HA LYS 29 12.150 8.019 -1.989
371 HB2 LYS 29 1HB LYS 29 12.110 5.620 -1.286
372 HB3 LYS 29 2HB LYS 29 10.541 6.297 -1.722
373 HG2 LYS 29 1HG LYS 29 10.611 5.137 -3.900
374 HG3 LYS 29 2HG LYS 29 12.208 4.485 -3.500
375 HD2 LYS 29 1HD LYS 29 11.167 3.421 -1.454
376 HD3 LYS 29 2HD LYS 29 9.585 3.903 -2.102
377 HE2 LYS 29 1HE LYS 29 10.008 1.613 -2.760
378 HE3 LYS 29 2HE LYS 29 10.138 2.632 -4.209
379 HZ1 LYS 29 3HZ LYS 29 12.426 1.618 -2.601
380 HZ2 LYS 29 1HZ LYS 29 12.562 2.588 -3.926
381 HZ3 LYS 29 2HZ LYS 29 11.974 1.055 -4.083
382 H THR 30 H THR 30 14.210 8.657 -2.021
383 HA THR 30 HA THR 30 16.197 7.337 -3.717
384 HB THR 30 HB THR 30 17.715 8.991 -2.333
385 HG1 THR 30 HG1 THR 30 16.412 9.510 -0.655
386 HG21 THR 30 1HG2 THR 30 15.393 10.107 -4.034
387 HG22 THR 30 2HG2 THR 30 16.914 9.463 -4.691
388 HG23 THR 30 3HG2 THR 30 16.924 10.922 -3.694
389 HXT THR 30 H02 THR 30 15.725 5.518 -2.847
Start of MODEL 2
1 H1 GLY 1 3H0 GLY 1 3.468 -1.164 -1.777
2 H2 GLY 1 2H0 GLY 1 3.327 -0.816 -0.171
3 H3 GLY 1 1H0 GLY 1 1.997 -1.259 -1.040
4 HA2 GLY 1 1HA GLY 1 1.972 1.117 -0.634
5 HA3 GLY 1 2HA GLY 1 3.555 1.223 -1.427
6 H ILE 2 H ILE 2 1.423 2.785 -2.424
7 HA ILE 2 HA ILE 2 -0.112 1.382 -4.378
8 HB ILE 2 HB ILE 2 -0.708 3.594 -3.365
9 HG12 ILE 2 1HG1 ILE 2 -0.664 3.535 -6.398
10 HG13 ILE 2 2HG1 ILE 2 -1.782 2.627 -5.384
11 HG21 ILE 2 1HG2 ILE 2 1.559 4.692 -3.596
12 HG22 ILE 2 2HG2 ILE 2 1.271 4.824 -5.349
13 HG23 ILE 2 3HG2 ILE 2 0.225 5.683 -4.203
14 HD11 ILE 2 3HD1 ILE 2 -2.640 4.811 -4.465
15 HD12 ILE 2 1HD1 ILE 2 -1.608 5.658 -5.649
16 HD13 ILE 2 2HD1 ILE 2 -2.910 4.590 -6.209
17 H VAL 3 H VAL 3 3.060 2.999 -4.659
18 HA VAL 3 HA VAL 3 3.198 2.831 -7.509
19 HB VAL 3 HB VAL 3 5.486 2.792 -5.485
20 HG11 VAL 3 1HG1 VAL 3 6.239 2.113 -7.727
21 HG12 VAL 3 2HG1 VAL 3 5.425 3.516 -8.451
22 HG13 VAL 3 3HG1 VAL 3 6.817 3.753 -7.371
23 HG21 VAL 3 3HG2 VAL 3 5.571 5.262 -5.925
24 HG22 VAL 3 1HG2 VAL 3 4.064 5.116 -6.856
25 HG23 VAL 3 2HG2 VAL 3 4.076 4.757 -5.113
26 H GLU 4 H GLU 4 4.139 0.647 -4.892
27 HA GLU 4 HA GLU 4 5.435 -1.337 -6.424
28 HB2 GLU 4 1HB GLU 4 5.374 -1.136 -3.925
29 HB3 GLU 4 2HB GLU 4 3.691 -1.646 -3.965
30 HG2 GLU 4 1HG GLU 4 4.416 -3.819 -4.955
31 HG3 GLU 4 2HG GLU 4 6.094 -3.310 -4.703
32 HE2 GLU 4 HE2 GLU 4 5.749 -5.296 -3.564
33 H GLN 5 H GLN 5 1.951 -0.897 -5.624
34 HA GLN 5 HA GLN 5 1.113 -3.343 -6.842
35 HB2 GLN 5 1HB GLN 5 -0.365 -0.732 -6.368
36 HB3 GLN 5 2HB GLN 5 -1.131 -2.197 -6.981
37 HG2 GLN 5 1HG GLN 5 0.272 -1.981 -4.293
38 HG3 GLN 5 2HG GLN 5 -1.471 -1.860 -4.544
39 HE21 GLN 5 2HE2 GLN 5 -0.425 -3.745 -2.825
40 HE22 GLN 5 1HE2 GLN 5 -0.641 -5.337 -3.510
41 H CYS 6 H CYS 6 1.525 -0.033 -8.189
42 HA CYS 6 HA CYS 6 0.400 -0.840 -10.736
43 HB2 CYS 6 1HB CYS 6 2.187 1.515 -10.041
44 HB3 CYS 6 2HB CYS 6 1.319 1.293 -11.562
45 H CYS 7 H CYS 7 3.660 -0.829 -9.352
46 HA CYS 7 HA CYS 7 4.967 -1.320 -11.870
47 HB2 CYS 7 1HB CYS 7 5.808 -1.822 -9.001
48 HB3 CYS 7 2HB CYS 7 6.860 -2.098 -10.397
49 H THR 8 H THR 8 3.821 -3.485 -9.218
50 HA THR 8 HA THR 8 4.796 -5.806 -10.731
51 HB THR 8 HB THR 8 4.945 -5.545 -8.178
52 HG1 THR 8 HG1 THR 8 3.870 -7.848 -9.456
53 HG21 THR 8 1HG2 THR 8 3.095 -6.210 -6.831
54 HG22 THR 8 2HG2 THR 8 2.125 -6.672 -8.242
55 HG23 THR 8 3HG2 THR 8 2.458 -4.957 -7.915
56 H SER 9 H SER 9 1.737 -4.147 -10.410
57 HA SER 9 HA SER 9 0.494 -6.358 -11.951
58 HB2 SER 9 1HB SER 9 -0.003 -6.544 -9.428
59 HB3 SER 9 2HB SER 9 -0.918 -5.031 -9.589
60 HG SER 9 HG SER 9 -2.160 -7.019 -9.827
61 H ILE 10 H ILE 10 -2.087 -5.327 -12.146
62 HA ILE 10 HA ILE 10 -1.380 -3.163 -14.049
63 HB ILE 10 HB ILE 10 -3.960 -4.775 -13.833
64 HG12 ILE 10 1HG1 ILE 10 -1.988 -6.227 -14.324
65 HG13 ILE 10 2HG1 ILE 10 -3.194 -6.186 -15.601
66 HG21 ILE 10 1HG2 ILE 10 -4.305 -3.973 -16.194
67 HG22 ILE 10 2HG2 ILE 10 -4.328 -2.669 -15.000
68 HG23 ILE 10 3HG2 ILE 10 -2.882 -2.916 -16.007
69 HD11 ILE 10 3HD1 ILE 10 -1.811 -4.799 -16.988
70 HD12 ILE 10 1HD1 ILE 10 -0.648 -4.547 -15.673
71 HD13 ILE 10 2HD1 ILE 10 -0.832 -6.154 -16.407
72 H CYS 11 H CYS 11 -1.575 -1.139 -13.306
73 HA CYS 11 HA CYS 11 -3.823 -0.467 -11.492
74 HB2 CYS 11 1HB CYS 11 -1.361 0.983 -12.451
75 HB3 CYS 11 2HB CYS 11 -2.752 1.900 -11.850
76 H SER 12 H SER 12 -5.715 -0.211 -12.425
77 HA SER 12 HA SER 12 -6.044 0.600 -15.207
78 HB2 SER 12 1HB SER 12 -8.452 0.615 -14.601
79 HB3 SER 12 2HB SER 12 -7.663 -0.883 -14.061
80 HG SER 12 HG SER 12 -8.780 -0.199 -12.320
81 H LEU 13 H LEU 13 -7.535 2.597 -15.622
82 HA LEU 13 HA LEU 13 -6.185 4.909 -14.748
83 HB2 LEU 13 1HB LEU 13 -7.882 6.172 -15.840
84 HB3 LEU 13 2HB LEU 13 -7.525 4.744 -16.797
85 HG LEU 13 HG LEU 13 -9.694 3.873 -15.356
86 HD11 LEU 13 1HD1 LEU 13 -11.382 5.689 -15.483
87 HD12 LEU 13 2HD1 LEU 13 -10.109 6.836 -15.953
88 HD13 LEU 13 3HD1 LEU 13 -10.085 6.080 -14.341
89 HD21 LEU 13 3HD2 LEU 13 -9.703 5.363 -18.008
90 HD22 LEU 13 1HD2 LEU 13 -10.958 4.242 -17.431
91 HD23 LEU 13 2HD2 LEU 13 -9.324 3.637 -17.775
92 H TYR 14 H TYR 14 -8.927 3.246 -13.265
93 HA TYR 14 HA TYR 14 -9.698 5.400 -11.537
94 HB2 TYR 14 1HB TYR 14 -9.961 2.440 -10.957
95 HB3 TYR 14 2HB TYR 14 -11.009 3.753 -10.409
96 HD1 TYR 14 HD1 TYR 14 -12.291 5.075 -12.314
97 HD2 TYR 14 HD2 TYR 14 -10.500 1.201 -12.873
98 HE1 TYR 14 HE1 TYR 14 -13.727 4.691 -14.322
99 HE2 TYR 14 HE2 TYR 14 -11.926 0.837 -14.893
100 HH TYR 14 HH TYR 14 -13.590 1.678 -16.224
101 H GLN 15 H GLN 15 -7.386 2.706 -11.235
102 HA GLN 15 HA GLN 15 -6.701 3.209 -8.467
103 HB2 GLN 15 1HB GLN 15 -5.203 1.850 -10.739
104 HB3 GLN 15 2HB GLN 15 -4.647 1.870 -9.067
105 HG2 GLN 15 1HG GLN 15 -7.303 0.694 -9.967
106 HG3 GLN 15 2HG GLN 15 -5.810 -0.233 -9.753
107 HE21 GLN 15 2HE2 GLN 15 -8.620 0.235 -8.302
108 HE22 GLN 15 1HE2 GLN 15 -8.138 0.177 -6.625
109 H LEU 16 H LEU 16 -5.526 4.277 -11.629
110 HA LEU 16 HA LEU 16 -3.247 5.709 -10.674
111 HB2 LEU 16 1HB LEU 16 -4.910 5.959 -13.180
112 HB3 LEU 16 2HB LEU 16 -3.460 6.908 -12.895
113 HG LEU 16 HG LEU 16 -3.504 3.872 -12.923
114 HD11 LEU 16 1HD1 LEU 16 -2.683 5.810 -15.112
115 HD12 LEU 16 2HD1 LEU 16 -4.127 4.772 -15.120
116 HD13 LEU 16 3HD1 LEU 16 -2.522 4.038 -15.157
117 HD21 LEU 16 3HD2 LEU 16 -1.204 5.867 -13.033
118 HD22 LEU 16 1HD2 LEU 16 -1.055 4.102 -13.195
119 HD23 LEU 16 2HD2 LEU 16 -1.608 4.802 -11.667
120 H GLU 17 H GLU 17 -6.675 6.690 -10.970
121 HA GLU 17 HA GLU 17 -6.261 9.489 -10.696
122 HB2 GLU 17 1HB GLU 17 -8.534 7.671 -9.882
123 HB3 GLU 17 2HB GLU 17 -8.559 9.400 -9.529
124 HG2 GLU 17 1HG GLU 17 -8.260 9.876 -11.946
125 HG3 GLU 17 2HG GLU 17 -8.377 8.143 -12.271
126 HE2 GLU 17 HE2 GLU 17 -11.596 10.119 -11.085
127 H ASN 18 H ASN 18 -5.914 6.973 -8.263
128 HA ASN 18 HA ASN 18 -6.247 8.619 -5.948
129 HB2 ASN 18 1HB ASN 18 -4.542 6.161 -6.432
130 HB3 ASN 18 2HB ASN 18 -4.747 6.916 -4.848
131 HD21 ASN 18 2HD2 ASN 18 -5.793 4.468 -6.729
132 HD22 ASN 18 1HD2 ASN 18 -7.390 4.251 -6.044
133 H TYR 19 H TYR 19 -3.618 8.393 -8.271
134 HA TYR 19 HA TYR 19 -1.586 9.585 -6.544
135 HB2 TYR 19 1HB TYR 19 -1.868 9.200 -9.521
136 HB3 TYR 19 2HB TYR 19 -0.470 9.982 -8.815
137 HD1 TYR 19 HD1 TYR 19 -2.309 6.729 -8.997
138 HD2 TYR 19 HD2 TYR 19 1.305 8.740 -7.821
139 HE1 TYR 19 HE1 TYR 19 -1.177 4.532 -8.711
140 HE2 TYR 19 HE2 TYR 19 2.424 6.536 -7.539
141 HH TYR 19 HH TYR 19 0.753 3.454 -8.194
142 H CYS 20 H CYS 20 -4.294 10.773 -8.374
143 HA CYS 20 HA CYS 20 -3.178 13.473 -8.748
144 HB2 CYS 20 1HB CYS 20 -5.935 12.276 -9.215
145 HB3 CYS 20 2HB CYS 20 -5.531 13.963 -9.518
146 H ASN 21 H ASN 21 -2.685 13.582 -6.422
147 HA ASN 21 HA ASN 21 -2.946 14.473 -4.359
148 HB2 ASN 21 1HB ASN 21 -3.747 16.477 -5.414
149 HB3 ASN 21 2HB ASN 21 -5.349 15.796 -5.640
150 HD21 ASN 21 2HD2 ASN 21 -3.104 17.214 -3.359
151 HD22 ASN 21 1HD2 ASN 21 -4.270 17.430 -2.082
152 HXT ASN 21 H02 ASN 21 -5.945 13.383 -5.291
153 H1 PHE 1 3H0 PHE 1 -8.453 3.046 -23.221
154 H2 PHE 1 2H0 PHE 1 -7.696 2.121 -24.358
155 H3 PHE 1 1H0 PHE 1 -8.745 1.423 -23.296
156 HA PHE 1 HA PHE 1 -6.154 2.651 -22.610
157 HB2 PHE 1 1HB PHE 1 -8.159 2.794 -20.958
158 HB3 PHE 1 2HB PHE 1 -7.963 1.047 -20.779
159 HD1 PHE 1 HD2 PHE 1 -6.399 4.364 -20.198
160 HD2 PHE 1 HD1 PHE 1 -6.085 0.118 -19.517
161 HE1 PHE 1 HE2 PHE 1 -4.632 4.773 -18.492
162 HE2 PHE 1 HE1 PHE 1 -4.312 0.522 -17.812
163 HZ PHE 1 HZ PHE 1 -3.581 2.854 -17.299
164 H VAL 2 H VAL 2 -4.478 1.080 -22.074
165 HA VAL 2 HA VAL 2 -5.133 -1.707 -22.958
166 HB VAL 2 HB VAL 2 -2.534 -0.162 -23.469
167 HG11 VAL 2 1HG1 VAL 2 -2.101 -2.554 -23.057
168 HG12 VAL 2 2HG1 VAL 2 -3.355 -3.005 -24.240
169 HG13 VAL 2 3HG1 VAL 2 -1.872 -2.183 -24.775
170 HG21 VAL 2 3HG2 VAL 2 -4.268 0.602 -25.011
171 HG22 VAL 2 1HG2 VAL 2 -3.136 -0.439 -25.890
172 HG23 VAL 2 2HG2 VAL 2 -4.721 -1.077 -25.395
173 H ASN 3 H ASN 3 -4.660 -3.182 -21.406
174 HA ASN 3 HA ASN 3 -3.676 -2.279 -18.847
175 HB2 ASN 3 1HB ASN 3 -4.089 -5.060 -20.005
176 HB3 ASN 3 2HB ASN 3 -3.529 -4.756 -18.356
177 HD21 ASN 3 2HD2 ASN 3 -5.965 -6.104 -19.200
178 HD22 ASN 3 1HD2 ASN 3 -7.289 -5.179 -18.534
179 H GLN 4 H GLN 4 -1.672 -2.139 -18.111
180 HA GLN 4 HA GLN 4 0.390 -3.980 -18.976
181 HB2 GLN 4 1HB GLN 4 1.969 -2.223 -19.699
182 HB3 GLN 4 2HB GLN 4 0.574 -2.291 -20.781
183 HG2 GLN 4 1HG GLN 4 -0.415 -0.343 -19.558
184 HG3 GLN 4 2HG GLN 4 1.069 -0.244 -18.602
185 HE21 GLN 4 2HE2 GLN 4 -0.350 0.124 -21.782
186 HE22 GLN 4 1HE2 GLN 4 0.947 1.087 -22.452
187 H HIS 5 H HIS 5 2.036 -3.933 -17.408
188 HA HIS 5 HA HIS 5 1.399 -2.713 -14.842
189 HB2 HIS 5 1HB HIS 5 4.027 -3.876 -15.852
190 HB3 HIS 5 2HB HIS 5 3.623 -3.500 -14.173
191 HD1 HIS 5 HD1 HIS 5 0.943 -4.747 -13.744
192 HD2 HIS 5 HD2 HIS 5 3.879 -6.598 -15.997
193 HE1 HIS 5 HE1 HIS 5 0.379 -7.245 -13.803
194 HE2 HIS 5 HE2 HIS 5 2.203 -8.348 -15.153
195 H LEU 6 H LEU 6 2.380 -0.877 -13.914
196 HA LEU 6 HA LEU 6 3.678 0.954 -15.906
197 HB2 LEU 6 1HB LEU 6 1.474 1.510 -13.899
198 HB3 LEU 6 2HB LEU 6 2.345 2.761 -14.777
199 HG LEU 6 HG LEU 6 0.734 0.596 -16.152
200 HD11 LEU 6 1HD1 LEU 6 -0.078 3.407 -15.369
201 HD12 LEU 6 2HD1 LEU 6 -0.735 1.888 -14.713
202 HD13 LEU 6 3HD1 LEU 6 -1.013 2.309 -16.412
203 HD21 LEU 6 3HD2 LEU 6 0.766 2.244 -18.039
204 HD22 LEU 6 1HD2 LEU 6 2.372 1.623 -17.625
205 HD23 LEU 6 2HD2 LEU 6 1.881 3.253 -17.096
206 H CYS 7 H CYS 7 5.715 1.122 -15.208
207 HA CYS 7 HA CYS 7 6.120 2.022 -12.400
208 HB2 CYS 7 1HB CYS 7 6.611 -0.533 -12.972
209 HB3 CYS 7 2HB CYS 7 8.075 0.135 -13.697
210 H GLY 8 H GLY 8 8.217 3.183 -12.179
211 HA2 GLY 8 1HA GLY 8 9.736 4.755 -12.930
212 HA3 GLY 8 2HA GLY 8 9.903 3.741 -14.376
213 H SER 9 H SER 9 9.965 5.280 -15.956
214 HA SER 9 HA SER 9 8.420 7.623 -16.031
215 HB2 SER 9 1HB SER 9 9.067 6.330 -18.623
216 HB3 SER 9 2HB SER 9 9.475 7.953 -18.016
217 HG SER 9 HG SER 9 11.372 6.829 -18.024
218 H HIS 10 H HIS 10 7.504 4.321 -17.021
219 HA HIS 10 HA HIS 10 5.295 5.107 -18.684
220 HB2 HIS 10 1HB HIS 10 6.055 2.602 -17.214
221 HB3 HIS 10 2HB HIS 10 4.394 2.779 -17.776
222 HD1 HIS 10 HD1 HIS 10 4.005 1.689 -19.991
223 HD2 HIS 10 HD2 HIS 10 7.873 3.304 -19.655
224 HE1 HIS 10 HE1 HIS 10 5.194 1.240 -22.185
225 HE2 HIS 10 HE2 HIS 10 7.522 2.215 -21.975
226 H LEU 11 H LEU 11 5.637 4.792 -15.163
227 HA LEU 11 HA LEU 11 2.820 4.781 -14.640
228 HB2 LEU 11 1HB LEU 11 4.547 4.070 -13.016
229 HB3 LEU 11 2HB LEU 11 5.124 5.728 -12.904
230 HG LEU 11 HG LEU 11 3.019 6.433 -11.869
231 HD11 LEU 11 1HD1 LEU 11 2.224 3.506 -12.121
232 HD12 LEU 11 2HD1 LEU 11 1.419 4.905 -12.875
233 HD13 LEU 11 3HD1 LEU 11 1.379 4.707 -11.116
234 HD21 LEU 11 3HD2 LEU 11 3.314 5.234 -9.742
235 HD22 LEU 11 1HD2 LEU 11 4.884 5.614 -10.478
236 HD23 LEU 11 2HD2 LEU 11 4.232 3.957 -10.575
237 H VAL 12 H VAL 12 5.236 7.467 -14.692
238 HA VAL 12 HA VAL 12 3.158 9.384 -14.093
239 HB VAL 12 HB VAL 12 4.845 11.127 -14.556
240 HG11 VAL 12 1HG1 VAL 12 6.370 10.557 -12.734
241 HG12 VAL 12 2HG1 VAL 12 4.739 9.977 -12.342
242 HG13 VAL 12 3HG1 VAL 12 5.981 8.830 -12.897
243 HG21 VAL 12 3HG2 VAL 12 6.046 10.055 -16.434
244 HG22 VAL 12 1HG2 VAL 12 7.153 10.545 -15.140
245 HG23 VAL 12 2HG2 VAL 12 6.702 8.838 -15.313
246 H GLU 13 H GLU 13 4.473 8.053 -17.093
247 HA GLU 13 HA GLU 13 3.332 10.008 -18.861
248 HB2 GLU 13 1HB GLU 13 4.062 7.089 -19.138
249 HB3 GLU 13 2HB GLU 13 3.328 7.982 -20.475
250 HG2 GLU 13 1HG GLU 13 5.175 9.488 -20.624
251 HG3 GLU 13 2HG GLU 13 5.848 8.938 -19.089
252 HE2 GLU 13 HE2 GLU 13 7.677 7.449 -21.764
253 H ALA 14 H ALA 14 2.047 7.017 -17.368
254 HA ALA 14 HA ALA 14 -0.483 7.158 -18.731
255 HB1 ALA 14 3HB ALA 14 0.223 5.893 -16.053
256 HB2 ALA 14 1HB ALA 14 -1.215 5.546 -17.043
257 HB3 ALA 14 2HB ALA 14 0.400 5.112 -17.644
258 H LEU 15 H LEU 15 0.764 8.496 -15.656
259 HA LEU 15 HA LEU 15 -1.769 9.426 -14.718
260 HB2 LEU 15 1HB LEU 15 1.068 10.294 -14.146
261 HB3 LEU 15 2HB LEU 15 -0.323 11.039 -13.370
262 HG LEU 15 HG LEU 15 0.359 8.094 -13.162
263 HD11 LEU 15 1HD1 LEU 15 2.049 9.517 -12.064
264 HD12 LEU 15 2HD1 LEU 15 1.093 8.584 -10.897
265 HD13 LEU 15 3HD1 LEU 15 0.756 10.314 -11.139
266 HD21 LEU 15 3HD2 LEU 15 -1.663 9.809 -11.715
267 HD22 LEU 15 1HD2 LEU 15 -1.292 8.103 -11.364
268 HD23 LEU 15 2HD2 LEU 15 -2.017 8.545 -12.909
269 H TYR 16 H TYR 16 0.551 10.886 -16.985
270 HA TYR 16 HA TYR 16 -0.626 13.503 -16.984
271 HB2 TYR 16 1HB TYR 16 0.915 11.900 -19.035
272 HB3 TYR 16 2HB TYR 16 0.145 13.422 -19.488
273 HD1 TYR 16 HD1 TYR 16 0.694 15.532 -18.065
274 HD2 TYR 16 HD2 TYR 16 3.097 11.962 -18.050
275 HE1 TYR 16 HE1 TYR 16 2.626 16.825 -17.155
276 HE2 TYR 16 HE2 TYR 16 5.016 13.262 -17.134
277 HH TYR 16 HH TYR 16 5.771 15.309 -16.439
278 H LEU 17 H LEU 17 -1.515 10.476 -18.654
279 HA LEU 17 HA LEU 17 -3.563 11.745 -20.256
280 HB2 LEU 17 1HB LEU 17 -3.287 8.855 -19.384
281 HB3 LEU 17 2HB LEU 17 -4.351 9.461 -20.642
282 HG LEU 17 HG LEU 17 -1.317 9.590 -20.752
283 HD11 LEU 17 1HD1 LEU 17 -1.482 7.695 -22.308
284 HD12 LEU 17 2HD1 LEU 17 -3.244 7.631 -22.064
285 HD13 LEU 17 3HD1 LEU 17 -2.139 7.265 -20.715
286 HD21 LEU 17 3HD2 LEU 17 -2.374 11.290 -22.165
287 HD22 LEU 17 1HD2 LEU 17 -3.447 10.064 -22.881
288 HD23 LEU 17 2HD2 LEU 17 -1.693 10.002 -23.174
289 H VAL 18 H VAL 18 -3.578 9.982 -17.149
290 HA VAL 18 HA VAL 18 -6.465 9.929 -16.989
291 HB VAL 18 HB VAL 18 -4.320 9.471 -14.857
292 HG11 VAL 18 1HG1 VAL 18 -6.125 8.260 -13.620
293 HG12 VAL 18 2HG1 VAL 18 -6.424 10.002 -13.744
294 HG13 VAL 18 3HG1 VAL 18 -7.310 8.874 -14.798
295 HG21 VAL 18 3HG2 VAL 18 -5.940 7.570 -16.597
296 HG22 VAL 18 1HG2 VAL 18 -4.196 7.878 -16.700
297 HG23 VAL 18 2HG2 VAL 18 -4.865 7.079 -15.273
298 H CYS 19 H CYS 19 -3.951 12.005 -15.496
299 HA CYS 19 HA CYS 19 -6.053 13.543 -14.132
300 HB2 CYS 19 1HB CYS 19 -3.261 13.200 -13.797
301 HB3 CYS 19 2HB CYS 19 -3.523 14.905 -14.201
302 H GLY 20 H GLY 20 -4.418 13.599 -17.232
303 HA2 GLY 20 1HA GLY 20 -4.809 14.985 -19.028
304 HA3 GLY 20 2HA GLY 20 -6.168 15.690 -18.134
305 H GLU 21 H GLU 21 -5.570 17.724 -19.030
306 HA GLU 21 HA GLU 21 -3.035 18.955 -18.628
307 HB2 GLU 21 1HB GLU 21 -5.135 19.511 -20.153
308 HB3 GLU 21 2HB GLU 21 -5.569 20.560 -18.801
309 HG2 GLU 21 1HG GLU 21 -4.379 21.924 -20.341
310 HG3 GLU 21 2HG GLU 21 -3.246 21.600 -19.022
311 HE2 GLU 21 HE2 GLU 21 -2.671 19.840 -22.529
312 H ARG 22 H ARG 22 -5.314 18.192 -16.247
313 HA ARG 22 HA ARG 22 -5.101 20.558 -14.578
314 HB2 ARG 22 1HB ARG 22 -5.738 17.665 -13.891
315 HB3 ARG 22 2HB ARG 22 -5.917 19.027 -12.783
316 HG2 ARG 22 1HG ARG 22 -7.634 20.024 -14.182
317 HG3 ARG 22 2HG ARG 22 -7.411 18.777 -15.422
318 HD2 ARG 22 1HD ARG 22 -8.288 18.197 -12.570
319 HD3 ARG 22 2HD ARG 22 -9.401 18.413 -13.938
320 HE ARG 22 HE ARG 22 -7.437 16.453 -14.626
321 HH11 ARG 22 1HH1 ARG 22 -10.254 16.773 -12.512
322 HH12 ARG 22 2HH1 ARG 22 -10.608 15.067 -12.579
323 HH21 ARG 22 1HH2 ARG 22 -7.960 14.307 -14.678
324 HH22 ARG 22 2HH2 ARG 22 -9.319 13.694 -13.777
325 H GLY 23 H GLY 23 -3.066 17.804 -15.241
326 HA2 GLY 23 1HA GLY 23 -0.854 17.505 -14.593
327 HA3 GLY 23 2HA GLY 23 -0.972 18.930 -13.545
328 H PHE 24 H PHE 24 0.401 16.908 -12.525
329 HA PHE 24 HA PHE 24 -1.185 16.027 -10.234
330 HB2 PHE 24 1HB PHE 24 -0.708 13.653 -10.506
331 HB3 PHE 24 2HB PHE 24 -1.632 14.207 -11.904
332 HD1 PHE 24 HD1 PHE 24 -0.517 14.535 -14.097
333 HD2 PHE 24 HD2 PHE 24 1.553 12.850 -10.736
334 HE1 PHE 24 HE1 PHE 24 1.266 13.718 -15.605
335 HE2 PHE 24 HE2 PHE 24 3.348 12.018 -12.250
336 HZ PHE 24 HZ PHE 24 3.208 12.476 -14.702
337 H PHE 25 H PHE 25 0.565 14.687 -8.841
338 HA PHE 25 HA PHE 25 3.293 15.691 -9.491
339 HB2 PHE 25 1HB PHE 25 3.687 16.213 -7.139
340 HB3 PHE 25 2HB PHE 25 2.346 17.178 -7.763
341 HD1 PHE 25 HD1 PHE 25 3.309 14.430 -5.490
342 HD2 PHE 25 HD2 PHE 25 0.056 16.823 -6.971
343 HE1 PHE 25 HE1 PHE 25 1.863 13.596 -3.640
344 HE2 PHE 25 HE2 PHE 25 -1.391 16.007 -5.122
345 HZ PHE 25 HZ PHE 25 -0.499 14.375 -3.459
346 H TYR 26 H TYR 26 4.967 14.426 -8.339
347 HA TYR 26 HA TYR 26 4.083 11.757 -7.385
348 HB2 TYR 26 1HB TYR 26 4.549 11.502 -9.818
349 HB3 TYR 26 2HB TYR 26 6.161 12.195 -9.568
350 HD1 TYR 26 HD2 TYR 26 3.955 9.296 -8.760
351 HD2 TYR 26 HD1 TYR 26 7.958 10.865 -8.636
352 HE1 TYR 26 HE2 TYR 26 4.822 7.048 -8.139
353 HE2 TYR 26 HE1 TYR 26 8.821 8.607 -8.025
354 HH TYR 26 HH TYR 26 8.307 6.425 -7.618
355 H THR 27 H THR 27 5.512 11.006 -5.796
356 HA THR 27 HA THR 27 7.700 12.916 -5.101
357 HB THR 27 HB THR 27 7.224 12.227 -2.701
358 HG1 THR 27 HG1 THR 27 4.606 11.678 -3.491
359 HG21 THR 27 1HG2 THR 27 6.541 14.410 -3.647
360 HG22 THR 27 2HG2 THR 27 5.346 13.799 -2.482
361 HG23 THR 27 3HG2 THR 27 5.027 13.681 -4.228
362 HA PRO 28 HA PRO 28 9.806 8.897 -5.444
363 HB2 PRO 28 1HB PRO 28 12.284 9.867 -6.050
364 HB3 PRO 28 2HB PRO 28 11.001 9.714 -7.295
365 HG2 PRO 28 1HG PRO 28 11.818 12.132 -5.704
366 HG3 PRO 28 2HG PRO 28 11.590 11.971 -7.475
367 HD2 PRO 28 1HD PRO 28 9.668 12.990 -5.861
368 HD3 PRO 28 2HD PRO 28 9.257 11.978 -7.287
369 H LYS 29 H LYS 29 11.411 7.984 -3.951
370 HA LYS 29 HA LYS 29 12.190 9.758 -1.692
371 HB2 LYS 29 1HB LYS 29 10.637 7.146 -1.433
372 HB3 LYS 29 2HB LYS 29 11.360 8.036 -0.083
373 HG2 LYS 29 1HG LYS 29 9.901 9.962 -0.554
374 HG3 LYS 29 2HG LYS 29 9.210 9.106 -1.936
375 HD2 LYS 29 1HD LYS 29 8.332 7.364 -0.430
376 HD3 LYS 29 2HD LYS 29 8.991 8.256 0.961
377 HE2 LYS 29 1HE LYS 29 6.624 8.813 0.699
378 HE3 LYS 29 2HE LYS 29 7.615 10.234 0.315
379 HZ1 LYS 29 3HZ LYS 29 6.322 8.425 -1.649
380 HZ2 LYS 29 1HZ LYS 29 7.356 9.639 -2.066
381 HZ3 LYS 29 2HZ LYS 29 5.917 9.994 -1.345
382 H THR 30 H THR 30 14.089 9.165 -0.761
383 HA THR 30 HA THR 30 15.617 7.010 -2.122
384 HB THR 30 HB THR 30 17.556 8.330 -0.987
385 HG1 THR 30 HG1 THR 30 16.908 10.484 -0.449
386 HG21 THR 30 1HG2 THR 30 16.978 8.544 -3.454
387 HG22 THR 30 2HG2 THR 30 17.534 10.076 -2.766
388 HG23 THR 30 3HG2 THR 30 15.806 9.816 -3.054
389 HXT THR 30 H02 THR 30 15.100 6.322 1.592
Start of MODEL 3
1 H1 GLY 1 3H0 GLY 1 4.720 0.532 0.056
2 H2 GLY 1 2H0 GLY 1 3.377 -0.208 -0.555
3 H3 GLY 1 1H0 GLY 1 4.713 -0.008 -1.502
4 HA2 GLY 1 1HA GLY 1 3.055 2.171 -0.421
5 HA3 GLY 1 2HA GLY 1 4.480 2.368 -1.463
6 H ILE 2 H ILE 2 2.161 3.521 -2.327
7 HA ILE 2 HA ILE 2 0.429 1.833 -3.817
8 HB ILE 2 HB ILE 2 -0.020 4.181 -3.067
9 HG12 ILE 2 1HG1 ILE 2 -0.467 3.676 -6.024
10 HG13 ILE 2 2HG1 ILE 2 -1.382 2.920 -4.724
11 HG21 ILE 2 1HG2 ILE 2 0.764 6.095 -4.389
12 HG22 ILE 2 2HG2 ILE 2 2.163 5.200 -3.770
13 HG23 ILE 2 3HG2 ILE 2 1.675 5.021 -5.470
14 HD11 ILE 2 3HD1 ILE 2 -1.320 5.893 -5.399
15 HD12 ILE 2 1HD1 ILE 2 -2.670 4.764 -5.628
16 HD13 ILE 2 2HD1 ILE 2 -2.148 5.196 -3.985
17 H VAL 3 H VAL 3 3.527 3.308 -4.726
18 HA VAL 3 HA VAL 3 3.301 2.816 -7.504
19 HB VAL 3 HB VAL 3 4.965 4.354 -6.607
20 HG11 VAL 3 1HG1 VAL 3 6.983 3.607 -5.440
21 HG12 VAL 3 2HG1 VAL 3 5.534 3.187 -4.512
22 HG13 VAL 3 3HG1 VAL 3 6.395 1.932 -5.438
23 HG21 VAL 3 3HG2 VAL 3 5.385 3.280 -8.806
24 HG22 VAL 3 1HG2 VAL 3 6.885 3.716 -7.969
25 HG23 VAL 3 2HG2 VAL 3 6.350 2.023 -8.000
26 H GLU 4 H GLU 4 4.258 0.610 -4.861
27 HA GLU 4 HA GLU 4 5.350 -1.388 -6.608
28 HB2 GLU 4 1HB GLU 4 4.194 -1.455 -3.823
29 HB3 GLU 4 2HB GLU 4 4.558 -2.954 -4.681
30 HG2 GLU 4 1HG GLU 4 6.461 -2.508 -3.400
31 HG3 GLU 4 2HG GLU 4 6.878 -2.076 -5.063
32 HE2 GLU 4 HE2 GLU 4 8.283 -0.730 -4.638
33 H GLN 5 H GLN 5 2.030 -0.765 -5.431
34 HA GLN 5 HA GLN 5 0.900 -3.185 -6.403
35 HB2 GLN 5 1HB GLN 5 -0.390 -0.436 -6.193
36 HB3 GLN 5 2HB GLN 5 -1.250 -1.965 -6.357
37 HG2 GLN 5 1HG GLN 5 0.497 -1.173 -3.990
38 HG3 GLN 5 2HG GLN 5 -1.266 -1.092 -4.039
39 HE21 GLN 5 2HE2 GLN 5 0.024 -2.524 -2.074
40 HE22 GLN 5 1HE2 GLN 5 -0.266 -4.229 -2.321
41 H CYS 6 H CYS 6 1.429 -0.017 -7.945
42 HA CYS 6 HA CYS 6 0.147 -0.832 -10.417
43 HB2 CYS 6 1HB CYS 6 1.828 1.516 -9.539
44 HB3 CYS 6 2HB CYS 6 1.419 1.274 -11.246
45 H CYS 7 H CYS 7 3.427 -0.992 -9.155
46 HA CYS 7 HA CYS 7 4.692 -1.350 -11.715
47 HB2 CYS 7 1HB CYS 7 5.732 -0.594 -9.505
48 HB3 CYS 7 2HB CYS 7 5.682 -2.282 -8.999
49 H THR 8 H THR 8 3.729 -3.607 -9.079
50 HA THR 8 HA THR 8 4.532 -5.872 -10.758
51 HB THR 8 HB THR 8 5.026 -5.696 -8.282
52 HG1 THR 8 HG1 THR 8 3.661 -7.941 -9.381
53 HG21 THR 8 1HG2 THR 8 2.231 -6.761 -7.857
54 HG22 THR 8 2HG2 THR 8 2.584 -5.028 -7.707
55 HG23 THR 8 3HG2 THR 8 3.413 -6.190 -6.659
56 H SER 9 H SER 9 1.511 -4.262 -9.975
57 HA SER 9 HA SER 9 0.133 -6.446 -11.468
58 HB2 SER 9 1HB SER 9 -0.870 -5.055 -8.922
59 HB3 SER 9 2HB SER 9 -1.803 -6.216 -9.890
60 HG SER 9 HG SER 9 -0.640 -7.074 -8.006
61 H ILE 10 H ILE 10 -2.361 -5.520 -11.740
62 HA ILE 10 HA ILE 10 -1.759 -3.669 -13.853
63 HB ILE 10 HB ILE 10 -4.413 -4.763 -12.853
64 HG12 ILE 10 1HG1 ILE 10 -2.818 -6.440 -13.760
65 HG13 ILE 10 2HG1 ILE 10 -4.303 -6.297 -14.696
66 HG21 ILE 10 1HG2 ILE 10 -4.958 -2.713 -13.982
67 HG22 ILE 10 2HG2 ILE 10 -3.803 -3.040 -15.293
68 HG23 ILE 10 3HG2 ILE 10 -5.284 -4.019 -15.131
69 HD11 ILE 10 3HD1 ILE 10 -2.281 -6.553 -16.120
70 HD12 ILE 10 1HD1 ILE 10 -3.150 -5.045 -16.448
71 HD13 ILE 10 2HD1 ILE 10 -1.654 -5.016 -15.491
72 H CYS 11 H CYS 11 -1.526 -1.616 -13.766
73 HA CYS 11 HA CYS 11 -2.781 -0.059 -11.587
74 HB2 CYS 11 1HB CYS 11 -0.329 0.107 -12.385
75 HB3 CYS 11 2HB CYS 11 -0.974 0.922 -13.797
76 H SER 12 H SER 12 -4.941 -0.338 -12.344
77 HA SER 12 HA SER 12 -5.717 0.365 -15.046
78 HB2 SER 12 1HB SER 12 -8.009 0.190 -14.150
79 HB3 SER 12 2HB SER 12 -7.020 -1.190 -13.630
80 HG SER 12 HG SER 12 -7.983 -0.505 -11.804
81 H LEU 13 H LEU 13 -7.387 2.172 -15.399
82 HA LEU 13 HA LEU 13 -6.200 4.659 -14.785
83 HB2 LEU 13 1HB LEU 13 -8.107 5.680 -15.777
84 HB3 LEU 13 2HB LEU 13 -7.715 4.227 -16.681
85 HG LEU 13 HG LEU 13 -9.629 3.253 -14.979
86 HD11 LEU 13 1HD1 LEU 13 -11.491 4.887 -14.983
87 HD12 LEU 13 2HD1 LEU 13 -10.410 6.124 -15.661
88 HD13 LEU 13 3HD1 LEU 13 -10.116 5.476 -14.029
89 HD21 LEU 13 3HD2 LEU 13 -10.064 4.589 -17.676
90 HD22 LEU 13 1HD2 LEU 13 -11.142 3.395 -16.911
91 HD23 LEU 13 2HD2 LEU 13 -9.506 2.918 -17.405
92 H TYR 14 H TYR 14 -8.576 2.789 -12.968
93 HA TYR 14 HA TYR 14 -9.439 4.937 -11.271
94 HB2 TYR 14 1HB TYR 14 -9.318 1.993 -10.568
95 HB3 TYR 14 2HB TYR 14 -10.442 3.209 -9.953
96 HD1 TYR 14 HD2 TYR 14 -12.120 4.250 -11.661
97 HD2 TYR 14 HD1 TYR 14 -9.824 0.704 -12.478
98 HE1 TYR 14 HE2 TYR 14 -13.691 3.653 -13.509
99 HE2 TYR 14 HE1 TYR 14 -11.385 0.128 -14.343
100 HH TYR 14 HH TYR 14 -14.218 2.133 -15.146
101 H GLN 15 H GLN 15 -6.815 2.538 -11.098
102 HA GLN 15 HA GLN 15 -5.966 3.248 -8.426
103 HB2 GLN 15 1HB GLN 15 -4.488 1.961 -10.753
104 HB3 GLN 15 2HB GLN 15 -3.837 2.117 -9.121
105 HG2 GLN 15 1HG GLN 15 -6.368 0.603 -9.834
106 HG3 GLN 15 2HG GLN 15 -4.771 -0.121 -9.594
107 HE21 GLN 15 2HE2 GLN 15 -7.568 0.045 -8.117
108 HE22 GLN 15 1HE2 GLN 15 -7.076 0.209 -6.451
109 H LEU 16 H LEU 16 -5.140 4.273 -11.722
110 HA LEU 16 HA LEU 16 -3.018 6.044 -10.994
111 HB2 LEU 16 1HB LEU 16 -4.902 5.958 -13.354
112 HB3 LEU 16 2HB LEU 16 -3.601 7.138 -13.224
113 HG LEU 16 HG LEU 16 -3.111 4.148 -13.086
114 HD11 LEU 16 1HD1 LEU 16 -2.466 4.219 -15.418
115 HD12 LEU 16 2HD1 LEU 16 -2.903 5.938 -15.519
116 HD13 LEU 16 3HD1 LEU 16 -4.155 4.707 -15.241
117 HD21 LEU 16 3HD2 LEU 16 -0.820 4.777 -13.696
118 HD22 LEU 16 1HD2 LEU 16 -1.306 5.587 -12.199
119 HD23 LEU 16 2HD2 LEU 16 -1.280 6.491 -13.731
120 H GLU 17 H GLU 17 -6.567 6.556 -11.140
121 HA GLU 17 HA GLU 17 -6.487 9.387 -10.798
122 HB2 GLU 17 1HB GLU 17 -8.515 7.281 -10.020
123 HB3 GLU 17 2HB GLU 17 -8.755 8.989 -9.647
124 HG2 GLU 17 1HG GLU 17 -8.546 9.537 -12.048
125 HG3 GLU 17 2HG GLU 17 -8.405 7.817 -12.412
126 HE2 GLU 17 HE2 GLU 17 -11.724 7.239 -11.465
127 H ASN 18 H ASN 18 -5.905 6.799 -8.466
128 HA ASN 18 HA ASN 18 -6.364 8.403 -6.121
129 HB2 ASN 18 1HB ASN 18 -4.600 5.960 -6.502
130 HB3 ASN 18 2HB ASN 18 -5.004 6.685 -4.945
131 HD21 ASN 18 2HD2 ASN 18 -5.584 4.013 -6.201
132 HD22 ASN 18 1HD2 ASN 18 -7.313 3.837 -6.018
133 H TYR 19 H TYR 19 -3.668 8.197 -8.351
134 HA TYR 19 HA TYR 19 -1.684 9.392 -6.552
135 HB2 TYR 19 1HB TYR 19 -1.869 8.999 -9.533
136 HB3 TYR 19 2HB TYR 19 -0.494 9.785 -8.786
137 HD1 TYR 19 HD2 TYR 19 -2.377 6.548 -8.915
138 HD2 TYR 19 HD1 TYR 19 1.289 8.524 -7.863
139 HE1 TYR 19 HE2 TYR 19 -1.277 4.340 -8.592
140 HE2 TYR 19 HE1 TYR 19 2.378 6.307 -7.554
141 HH TYR 19 HH TYR 19 0.626 3.242 -8.064
142 H CYS 20 H CYS 20 -4.388 10.492 -8.371
143 HA CYS 20 HA CYS 20 -3.270 13.112 -9.051
144 HB2 CYS 20 1HB CYS 20 -5.212 11.518 -10.142
145 HB3 CYS 20 2HB CYS 20 -6.198 12.633 -9.195
146 H ASN 21 H ASN 21 -3.078 14.608 -7.522
147 HA ASN 21 HA ASN 21 -3.415 15.986 -5.758
148 HB2 ASN 21 1HB ASN 21 -5.420 16.770 -6.778
149 HB3 ASN 21 2HB ASN 21 -6.324 15.340 -6.294
150 HD21 ASN 21 2HD2 ASN 21 -4.752 18.289 -5.115
151 HD22 ASN 21 1HD2 ASN 21 -5.650 18.351 -3.622
152 HXT ASN 21 H02 ASN 21 -5.257 13.259 -5.220
153 H1 PHE 1 3H0 PHE 1 -9.409 2.777 -22.126
154 H2 PHE 1 2H0 PHE 1 -8.946 4.352 -22.297
155 H3 PHE 1 1H0 PHE 1 -8.472 3.224 -23.405
156 HA PHE 1 HA PHE 1 -6.631 3.753 -21.972
157 HB2 PHE 1 1HB PHE 1 -8.051 4.445 -20.057
158 HB3 PHE 1 2HB PHE 1 -8.519 2.761 -19.799
159 HD1 PHE 1 HD2 PHE 1 -5.665 5.158 -19.692
160 HD2 PHE 1 HD1 PHE 1 -7.087 1.239 -18.596
161 HE1 PHE 1 HE2 PHE 1 -3.666 4.838 -18.251
162 HE2 PHE 1 HE1 PHE 1 -5.083 0.916 -17.155
163 HZ PHE 1 HZ PHE 1 -3.363 2.709 -16.992
164 H VAL 2 H VAL 2 -5.048 2.091 -21.601
165 HA VAL 2 HA VAL 2 -6.095 -0.679 -22.061
166 HB VAL 2 HB VAL 2 -3.394 0.491 -22.908
167 HG11 VAL 2 1HG1 VAL 2 -3.232 -1.907 -22.336
168 HG12 VAL 2 2HG1 VAL 2 -4.624 -2.268 -23.386
169 HG13 VAL 2 3HG1 VAL 2 -3.100 -1.683 -24.091
170 HG21 VAL 2 3HG2 VAL 2 -5.160 1.364 -24.356
171 HG22 VAL 2 1HG2 VAL 2 -4.246 0.129 -25.240
172 HG23 VAL 2 2HG2 VAL 2 -5.843 -0.268 -24.568
173 H ASN 3 H ASN 3 -5.884 -1.896 -20.286
174 HA ASN 3 HA ASN 3 -4.377 -1.056 -17.994
175 HB2 ASN 3 1HB ASN 3 -5.582 -3.711 -18.824
176 HB3 ASN 3 2HB ASN 3 -4.671 -3.497 -17.327
177 HD21 ASN 3 2HD2 ASN 3 -7.579 -4.100 -17.925
178 HD22 ASN 3 1HD2 ASN 3 -8.463 -2.907 -17.008
179 H GLN 4 H GLN 4 -2.364 -1.450 -17.372
180 HA GLN 4 HA GLN 4 -0.879 -3.745 -18.331
181 HB2 GLN 4 1HB GLN 4 0.982 -2.415 -19.281
182 HB3 GLN 4 2HB GLN 4 -0.495 -2.184 -20.221
183 HG2 GLN 4 1HG GLN 4 -0.869 -0.041 -18.880
184 HG3 GLN 4 2HG GLN 4 0.774 -0.256 -18.271
185 HE21 GLN 4 2HE2 GLN 4 -1.173 0.126 -21.199
186 HE22 GLN 4 1HE2 GLN 4 0.087 0.881 -22.149
187 H HIS 5 H HIS 5 1.005 -3.903 -17.048
188 HA HIS 5 HA HIS 5 0.909 -2.676 -14.402
189 HB2 HIS 5 1HB HIS 5 3.228 -4.082 -15.803
190 HB3 HIS 5 2HB HIS 5 3.083 -3.754 -14.074
191 HD1 HIS 5 HD1 HIS 5 0.380 -4.770 -13.332
192 HD2 HIS 5 HD2 HIS 5 2.796 -6.765 -16.022
193 HE1 HIS 5 HE1 HIS 5 -0.399 -7.214 -13.376
194 HE2 HIS 5 HE2 HIS 5 1.106 -8.402 -15.011
195 H LEU 6 H LEU 6 2.122 -0.866 -13.706
196 HA LEU 6 HA LEU 6 3.588 0.624 -15.854
197 HB2 LEU 6 1HB LEU 6 1.409 1.627 -14.004
198 HB3 LEU 6 2HB LEU 6 2.524 2.695 -14.835
199 HG LEU 6 HG LEU 6 0.645 0.805 -16.271
200 HD11 LEU 6 1HD1 LEU 6 -0.652 2.867 -16.764
201 HD12 LEU 6 2HD1 LEU 6 0.378 3.746 -15.609
202 HD13 LEU 6 3HD1 LEU 6 -0.665 2.427 -15.054
203 HD21 LEU 6 3HD2 LEU 6 2.347 3.150 -17.204
204 HD22 LEU 6 1HD2 LEU 6 1.145 2.315 -18.204
205 HD23 LEU 6 2HD2 LEU 6 2.571 1.433 -17.630
206 H CYS 7 H CYS 7 5.578 1.061 -15.199
207 HA CYS 7 HA CYS 7 6.015 1.763 -12.346
208 HB2 CYS 7 1HB CYS 7 6.401 -0.767 -13.053
209 HB3 CYS 7 2HB CYS 7 7.901 -0.131 -13.735
210 H GLY 8 H GLY 8 8.061 2.927 -12.048
211 HA2 GLY 8 1HA GLY 8 9.649 4.473 -12.707
212 HA3 GLY 8 2HA GLY 8 9.811 3.530 -14.200
213 H SER 9 H SER 9 9.988 5.229 -15.621
214 HA SER 9 HA SER 9 8.407 7.554 -15.640
215 HB2 SER 9 1HB SER 9 9.252 6.418 -18.254
216 HB3 SER 9 2HB SER 9 9.580 8.016 -17.538
217 HG SER 9 HG SER 9 11.494 6.885 -17.513
218 H HIS 10 H HIS 10 7.609 4.311 -16.830
219 HA HIS 10 HA HIS 10 5.539 5.066 -18.652
220 HB2 HIS 10 1HB HIS 10 6.484 2.639 -17.356
221 HB3 HIS 10 2HB HIS 10 4.723 2.672 -17.399
222 HD1 HIS 10 HD1 HIS 10 3.560 2.311 -19.698
223 HD2 HIS 10 HD2 HIS 10 7.740 2.604 -19.911
224 HE1 HIS 10 HE1 HIS 10 4.228 1.639 -22.057
225 HE2 HIS 10 HE2 HIS 10 6.750 1.828 -22.175
226 H LEU 11 H LEU 11 5.567 4.671 -15.121
227 HA LEU 11 HA LEU 11 2.713 4.795 -14.787
228 HB2 LEU 11 1HB LEU 11 4.348 3.965 -13.086
229 HB3 LEU 11 2HB LEU 11 4.962 5.603 -12.904
230 HG LEU 11 HG LEU 11 2.745 6.318 -12.023
231 HD11 LEU 11 1HD1 LEU 11 2.144 3.339 -12.109
232 HD12 LEU 11 2HD1 LEU 11 1.322 4.607 -13.044
233 HD13 LEU 11 3HD1 LEU 11 1.165 4.573 -11.281
234 HD21 LEU 11 3HD2 LEU 11 4.064 3.978 -10.592
235 HD22 LEU 11 1HD2 LEU 11 3.041 5.224 -9.839
236 HD23 LEU 11 2HD2 LEU 11 4.606 5.676 -10.542
237 H VAL 12 H VAL 12 5.315 7.221 -14.733
238 HA VAL 12 HA VAL 12 3.671 9.447 -14.051
239 HB VAL 12 HB VAL 12 6.289 9.367 -15.635
240 HG11 VAL 12 1HG1 VAL 12 5.130 11.538 -15.806
241 HG12 VAL 12 2HG1 VAL 12 5.035 11.628 -14.034
242 HG13 VAL 12 3HG1 VAL 12 6.616 11.667 -14.846
243 HG21 VAL 12 3HG2 VAL 12 5.766 9.557 -12.634
244 HG22 VAL 12 1HG2 VAL 12 6.583 8.233 -13.495
245 HG23 VAL 12 2HG2 VAL 12 7.347 9.828 -13.400
246 H GLU 13 H GLU 13 4.686 8.077 -17.195
247 HA GLU 13 HA GLU 13 3.550 10.126 -18.830
248 HB2 GLU 13 1HB GLU 13 4.126 7.189 -19.300
249 HB3 GLU 13 2HB GLU 13 3.537 8.262 -20.574
250 HG2 GLU 13 1HG GLU 13 5.510 9.639 -20.440
251 HG3 GLU 13 2HG GLU 13 6.077 8.788 -19.003
252 HE2 GLU 13 HE2 GLU 13 7.432 7.608 -22.268
253 H ALA 14 H ALA 14 2.151 7.234 -17.323
254 HA ALA 14 HA ALA 14 -0.306 7.382 -18.854
255 HB1 ALA 14 3HB ALA 14 -1.079 5.677 -17.294
256 HB2 ALA 14 1HB ALA 14 0.565 5.298 -17.860
257 HB3 ALA 14 2HB ALA 14 0.320 5.984 -16.237
258 H LEU 15 H LEU 15 0.865 8.681 -15.765
259 HA LEU 15 HA LEU 15 -1.706 9.418 -14.763
260 HB2 LEU 15 1HB LEU 15 1.101 10.377 -14.215
261 HB3 LEU 15 2HB LEU 15 -0.294 11.121 -13.438
262 HG LEU 15 HG LEU 15 0.336 8.168 -13.237
263 HD11 LEU 15 1HD1 LEU 15 2.131 9.521 -12.202
264 HD12 LEU 15 2HD1 LEU 15 1.188 8.604 -11.009
265 HD13 LEU 15 3HD1 LEU 15 0.905 10.348 -11.210
266 HD21 LEU 15 3HD2 LEU 15 -1.252 8.215 -11.410
267 HD22 LEU 15 1HD2 LEU 15 -2.022 8.798 -12.883
268 HD23 LEU 15 2HD2 LEU 15 -1.510 9.961 -11.645
269 H TYR 16 H TYR 16 0.487 11.030 -17.040
270 HA TYR 16 HA TYR 16 -0.835 13.574 -17.012
271 HB2 TYR 16 1HB TYR 16 0.689 12.071 -19.162
272 HB3 TYR 16 2HB TYR 16 -0.055 13.642 -19.466
273 HD1 TYR 16 HD1 TYR 16 0.613 15.633 -17.956
274 HD2 TYR 16 HD2 TYR 16 2.863 11.976 -18.178
275 HE1 TYR 16 HE1 TYR 16 2.613 16.799 -17.022
276 HE2 TYR 16 HE2 TYR 16 4.866 13.159 -17.271
277 HH TYR 16 HH TYR 16 4.800 16.602 -16.369
278 H LEU 17 H LEU 17 -1.604 10.500 -18.632
279 HA LEU 17 HA LEU 17 -3.647 11.653 -20.317
280 HB2 LEU 17 1HB LEU 17 -3.379 8.809 -19.310
281 HB3 LEU 17 2HB LEU 17 -4.369 9.361 -20.647
282 HG LEU 17 HG LEU 17 -1.333 9.464 -20.599
283 HD11 LEU 17 1HD1 LEU 17 -1.426 7.483 -22.049
284 HD12 LEU 17 2HD1 LEU 17 -3.201 7.449 -21.914
285 HD13 LEU 17 3HD1 LEU 17 -2.188 7.148 -20.479
286 HD21 LEU 17 3HD2 LEU 17 -3.335 9.830 -22.867
287 HD22 LEU 17 1HD2 LEU 17 -1.567 9.753 -23.052
288 HD23 LEU 17 2HD2 LEU 17 -2.304 11.092 -22.153
289 H VAL 18 H VAL 18 -3.668 10.025 -17.149
290 HA VAL 18 HA VAL 18 -6.574 9.908 -17.089
291 HB VAL 18 HB VAL 18 -4.501 9.367 -14.909
292 HG11 VAL 18 1HG1 VAL 18 -6.322 8.048 -13.830
293 HG12 VAL 18 2HG1 VAL 18 -6.703 9.776 -13.911
294 HG13 VAL 18 3HG1 VAL 18 -7.465 8.649 -15.058
295 HG21 VAL 18 3HG2 VAL 18 -5.085 6.951 -15.525
296 HG22 VAL 18 1HG2 VAL 18 -5.873 7.598 -16.976
297 HG23 VAL 18 2HG2 VAL 18 -4.127 7.838 -16.719
298 H CYS 19 H CYS 19 -4.079 11.927 -15.496
299 HA CYS 19 HA CYS 19 -6.146 13.453 -14.087
300 HB2 CYS 19 1HB CYS 19 -3.161 13.828 -14.457
301 HB3 CYS 19 2HB CYS 19 -4.182 14.929 -13.523
302 H GLY 20 H GLY 20 -4.630 13.505 -17.246
303 HA2 GLY 20 1HA GLY 20 -4.913 14.986 -18.985
304 HA3 GLY 20 2HA GLY 20 -6.355 15.582 -18.141
305 H GLU 21 H GLU 21 -6.056 17.713 -18.558
306 HA GLU 21 HA GLU 21 -3.607 19.111 -18.313
307 HB2 GLU 21 1HB GLU 21 -5.774 19.703 -19.539
308 HB3 GLU 21 2HB GLU 21 -6.378 20.292 -17.986
309 HG2 GLU 21 1HG GLU 21 -4.508 21.922 -17.897
310 HG3 GLU 21 2HG GLU 21 -3.914 21.317 -19.451
311 HE2 GLU 21 HE2 GLU 21 -4.320 23.684 -19.333
312 H ARG 22 H ARG 22 -5.746 18.066 -15.717
313 HA ARG 22 HA ARG 22 -5.233 20.327 -14.019
314 HB2 ARG 22 1HB ARG 22 -6.666 19.385 -12.594
315 HB3 ARG 22 2HB ARG 22 -7.053 18.371 -13.982
316 HG2 ARG 22 1HG ARG 22 -5.306 16.724 -13.038
317 HG3 ARG 22 2HG ARG 22 -5.371 17.705 -11.559
318 HD2 ARG 22 1HD ARG 22 -6.946 16.043 -11.174
319 HD3 ARG 22 2HD ARG 22 -7.931 17.406 -11.754
320 HE ARG 22 HE ARG 22 -7.193 15.944 -14.021
321 HH11 ARG 22 1HH1 ARG 22 -9.100 15.287 -11.111
322 HH12 ARG 22 2HH1 ARG 22 -10.072 14.079 -11.908
323 HH21 ARG 22 1HH2 ARG 22 -8.462 14.383 -14.956
324 HH22 ARG 22 2HH2 ARG 22 -9.715 13.580 -14.052
325 H GLY 23 H GLY 23 -3.264 17.628 -14.842
326 HA2 GLY 23 1HA GLY 23 -1.056 17.284 -14.218
327 HA3 GLY 23 2HA GLY 23 -1.178 18.635 -13.082
328 H PHE 24 H PHE 24 0.272 16.772 -12.094
329 HA PHE 24 HA PHE 24 -1.228 15.582 -9.900
330 HB2 PHE 24 1HB PHE 24 -0.569 13.269 -10.374
331 HB3 PHE 24 2HB PHE 24 -1.602 13.883 -11.661
332 HD1 PHE 24 HD1 PHE 24 -0.709 14.400 -13.885
333 HD2 PHE 24 HD2 PHE 24 1.769 12.742 -10.796
334 HE1 PHE 24 HE1 PHE 24 1.019 13.842 -15.569
335 HE2 PHE 24 HE2 PHE 24 3.503 12.171 -12.477
336 HZ PHE 24 HZ PHE 24 3.132 12.735 -14.884
337 H PHE 25 H PHE 25 0.580 14.138 -8.689
338 HA PHE 25 HA PHE 25 3.293 15.208 -9.232
339 HB2 PHE 25 1HB PHE 25 3.679 15.543 -6.819
340 HB3 PHE 25 2HB PHE 25 2.435 16.633 -7.438
341 HD1 PHE 25 HD2 PHE 25 3.035 13.586 -5.380
342 HD2 PHE 25 HD1 PHE 25 0.171 16.540 -6.644
343 HE1 PHE 25 HE2 PHE 25 1.453 12.795 -3.627
344 HE2 PHE 25 HE1 PHE 25 -1.401 15.774 -4.877
345 HZ PHE 25 HZ PHE 25 -0.776 13.891 -3.374
346 H TYR 26 H TYR 26 4.898 13.854 -7.932
347 HA TYR 26 HA TYR 26 3.927 11.124 -7.299
348 HB2 TYR 26 1HB TYR 26 4.566 10.981 -9.678
349 HB3 TYR 26 2HB TYR 26 6.113 11.768 -9.327
350 HD1 TYR 26 HD2 TYR 26 4.075 8.737 -8.399
351 HD2 TYR 26 HD1 TYR 26 8.003 10.455 -8.778
352 HE1 TYR 26 HE2 TYR 26 5.103 6.534 -7.842
353 HE2 TYR 26 HE1 TYR 26 9.017 8.249 -8.229
354 HH TYR 26 HH TYR 26 8.656 6.096 -7.663
355 H THR 27 H THR 27 5.430 10.115 -5.823
356 HA THR 27 HA THR 27 7.277 12.100 -4.561
357 HB THR 27 HB THR 27 6.890 10.783 -2.474
358 HG1 THR 27 HG1 THR 27 6.231 8.842 -3.488
359 HG21 THR 27 1HG2 THR 27 5.524 12.822 -3.033
360 HG22 THR 27 2HG2 THR 27 4.658 11.642 -2.026
361 HG23 THR 27 3HG2 THR 27 4.302 11.752 -3.761
362 HA PRO 28 HA PRO 28 10.045 8.653 -5.767
363 HB2 PRO 28 1HB PRO 28 12.143 10.099 -6.693
364 HB3 PRO 28 2HB PRO 28 10.675 9.862 -7.697
365 HG2 PRO 28 1HG PRO 28 11.433 12.204 -5.965
366 HG3 PRO 28 2HG PRO 28 10.872 12.194 -7.666
367 HD2 PRO 28 1HD PRO 28 9.211 12.668 -5.546
368 HD3 PRO 28 2HD PRO 28 8.654 11.865 -7.051
369 H LYS 29 H LYS 29 12.267 8.156 -4.856
370 HA LYS 29 HA LYS 29 13.018 9.910 -2.558
371 HB2 LYS 29 1HB LYS 29 12.977 6.868 -2.541
372 HB3 LYS 29 2HB LYS 29 13.665 7.908 -1.286
373 HG2 LYS 29 1HG LYS 29 11.273 8.923 -1.134
374 HG3 LYS 29 2HG LYS 29 10.768 7.452 -1.985
375 HD2 LYS 29 1HD LYS 29 12.295 7.557 0.663
376 HD3 LYS 29 2HD LYS 29 10.565 7.243 0.481
377 HE2 LYS 29 1HE LYS 29 11.332 5.080 0.674
378 HE3 LYS 29 2HE LYS 29 11.398 5.262 -1.087
379 HZ1 LYS 29 3HZ LYS 29 13.704 5.596 0.769
380 HZ2 LYS 29 1HZ LYS 29 13.777 5.753 -0.872
381 HZ3 LYS 29 2HZ LYS 29 13.439 4.284 -0.198
382 H THR 30 H THR 30 14.850 10.784 -3.300
383 HA THR 30 HA THR 30 16.669 9.333 -5.060
384 HB THR 30 HB THR 30 18.027 11.563 -4.423
385 HG1 THR 30 HG1 THR 30 16.520 13.162 -3.739
386 HG21 THR 30 1HG2 THR 30 16.684 12.804 -6.146
387 HG22 THR 30 2HG2 THR 30 15.370 11.623 -5.999
388 HG23 THR 30 3HG2 THR 30 16.940 11.132 -6.666
389 HXT THR 30 H02 THR 30 19.240 8.716 -2.928
Start of MODEL 4
1 H1 GLY 1 3H0 GLY 1 2.608 -1.359 -1.625
2 H2 GLY 1 2H0 GLY 1 2.224 -0.957 -0.071
3 H3 GLY 1 1H0 GLY 1 1.028 -1.319 -1.150
4 HA2 GLY 1 1HA GLY 1 1.143 1.058 -0.771
5 HA3 GLY 1 2HA GLY 1 2.830 1.014 -1.324
6 H ILE 2 H ILE 2 0.750 2.628 -2.583
7 HA ILE 2 HA ILE 2 -0.560 1.200 -4.626
8 HB ILE 2 HB ILE 2 -1.188 3.449 -3.731
9 HG12 ILE 2 1HG1 ILE 2 -0.973 3.293 -6.752
10 HG13 ILE 2 2HG1 ILE 2 -2.128 2.383 -5.781
11 HG21 ILE 2 1HG2 ILE 2 1.080 4.531 -3.857
12 HG22 ILE 2 2HG2 ILE 2 0.935 4.562 -5.632
13 HG23 ILE 2 3HG2 ILE 2 -0.190 5.494 -4.626
14 HD11 ILE 2 3HD1 ILE 2 -3.252 4.302 -6.687
15 HD12 ILE 2 1HD1 ILE 2 -3.061 4.565 -4.942
16 HD13 ILE 2 2HD1 ILE 2 -1.993 5.408 -6.098
17 H VAL 3 H VAL 3 2.661 2.750 -4.743
18 HA VAL 3 HA VAL 3 2.963 2.412 -7.572
19 HB VAL 3 HB VAL 3 5.176 2.430 -5.470
20 HG11 VAL 3 1HG1 VAL 3 6.545 3.366 -7.335
21 HG12 VAL 3 2HG1 VAL 3 5.925 1.747 -7.738
22 HG13 VAL 3 3HG1 VAL 3 5.157 3.188 -8.434
23 HG21 VAL 3 3HG2 VAL 3 3.770 4.754 -6.851
24 HG22 VAL 3 1HG2 VAL 3 3.748 4.385 -5.108
25 HG23 VAL 3 2HG2 VAL 3 5.258 4.899 -5.891
26 H GLU 4 H GLU 4 3.738 0.384 -4.768
27 HA GLU 4 HA GLU 4 5.107 -1.691 -6.149
28 HB2 GLU 4 1HB GLU 4 5.005 -1.312 -3.664
29 HB3 GLU 4 2HB GLU 4 3.326 -1.839 -3.693
30 HG2 GLU 4 1HG GLU 4 4.091 -4.064 -4.529
31 HG3 GLU 4 2HG GLU 4 5.756 -3.520 -4.281
32 HE2 GLU 4 HE2 GLU 4 5.077 -5.169 -1.313
33 H GLN 5 H GLN 5 1.651 -1.184 -5.362
34 HA GLN 5 HA GLN 5 0.758 -3.676 -6.480
35 HB2 GLN 5 1HB GLN 5 -0.628 -1.040 -5.894
36 HB3 GLN 5 2HB GLN 5 -1.486 -2.477 -6.463
37 HG2 GLN 5 1HG GLN 5 -1.087 -3.671 -4.481
38 HG3 GLN 5 2HG GLN 5 0.269 -2.642 -4.012
39 HE21 GLN 5 2HE2 GLN 5 -3.265 -2.588 -4.485
40 HE22 GLN 5 1HE2 GLN 5 -3.565 -1.413 -3.228
41 H CYS 6 H CYS 6 1.157 -0.388 -7.823
42 HA CYS 6 HA CYS 6 -0.028 -1.056 -10.377
43 HB2 CYS 6 1HB CYS 6 1.648 1.208 -9.297
44 HB3 CYS 6 2HB CYS 6 1.310 1.083 -11.031
45 H CYS 7 H CYS 7 3.139 -1.525 -9.009
46 HA CYS 7 HA CYS 7 4.411 -1.862 -11.617
47 HB2 CYS 7 1HB CYS 7 5.251 -1.988 -8.757
48 HB3 CYS 7 2HB CYS 7 6.184 -2.938 -9.923
49 H THR 8 H THR 8 3.359 -3.987 -8.896
50 HA THR 8 HA THR 8 4.236 -6.350 -10.372
51 HB THR 8 HB THR 8 4.327 -6.082 -7.827
52 HG1 THR 8 HG1 THR 8 3.823 -8.313 -7.567
53 HG21 THR 8 1HG2 THR 8 2.399 -6.606 -6.518
54 HG22 THR 8 2HG2 THR 8 1.434 -6.991 -7.959
55 HG23 THR 8 3HG2 THR 8 1.904 -5.308 -7.622
56 H SER 9 H SER 9 1.243 -4.554 -10.084
57 HA SER 9 HA SER 9 0.012 -6.608 -11.833
58 HB2 SER 9 1HB SER 9 -0.724 -6.896 -9.388
59 HB3 SER 9 2HB SER 9 -1.511 -5.310 -9.525
60 HG SER 9 HG SER 9 -2.812 -7.272 -10.005
61 H ILE 10 H ILE 10 -2.401 -5.491 -12.340
62 HA ILE 10 HA ILE 10 -1.394 -3.485 -14.182
63 HB ILE 10 HB ILE 10 -4.200 -4.582 -13.770
64 HG12 ILE 10 1HG1 ILE 10 -2.570 -6.306 -14.421
65 HG13 ILE 10 2HG1 ILE 10 -3.758 -6.004 -15.685
66 HG21 ILE 10 1HG2 ILE 10 -4.388 -2.422 -14.859
67 HG22 ILE 10 2HG2 ILE 10 -3.085 -2.826 -15.999
68 HG23 ILE 10 3HG2 ILE 10 -4.647 -3.683 -16.072
69 HD11 ILE 10 3HD1 ILE 10 -1.511 -6.332 -16.610
70 HD12 ILE 10 1HD1 ILE 10 -2.099 -4.702 -16.954
71 HD13 ILE 10 2HD1 ILE 10 -0.909 -4.951 -15.675
72 H CYS 11 H CYS 11 -1.273 -1.422 -13.921
73 HA CYS 11 HA CYS 11 -2.713 -0.118 -11.710
74 HB2 CYS 11 1HB CYS 11 -0.246 0.215 -12.422
75 HB3 CYS 11 2HB CYS 11 -0.897 1.172 -13.737
76 H SER 12 H SER 12 -4.826 -0.538 -12.703
77 HA SER 12 HA SER 12 -5.590 0.589 -15.225
78 HB2 SER 12 1HB SER 12 -7.267 0.052 -12.743
79 HB3 SER 12 2HB SER 12 -7.887 0.283 -14.394
80 HG SER 12 HG SER 12 -7.591 -1.959 -13.699
81 H LEU 13 H LEU 13 -7.028 2.458 -15.555
82 HA LEU 13 HA LEU 13 -5.944 4.835 -14.605
83 HB2 LEU 13 1HB LEU 13 -7.761 5.962 -15.646
84 HB3 LEU 13 2HB LEU 13 -7.307 4.579 -16.626
85 HG LEU 13 HG LEU 13 -9.348 3.489 -15.181
86 HD11 LEU 13 1HD1 LEU 13 -11.201 5.141 -15.170
87 HD12 LEU 13 2HD1 LEU 13 -10.055 6.424 -15.622
88 HD13 LEU 13 3HD1 LEU 13 -9.906 5.601 -14.050
89 HD21 LEU 13 3HD2 LEU 13 -10.714 3.843 -17.195
90 HD22 LEU 13 1HD2 LEU 13 -9.049 3.389 -17.610
91 HD23 LEU 13 2HD2 LEU 13 -9.570 5.087 -17.759
92 H TYR 14 H TYR 14 -8.468 2.931 -13.079
93 HA TYR 14 HA TYR 14 -9.513 4.945 -11.371
94 HB2 TYR 14 1HB TYR 14 -9.215 2.009 -10.714
95 HB3 TYR 14 2HB TYR 14 -10.478 3.115 -10.177
96 HD1 TYR 14 HD1 TYR 14 -11.884 4.220 -12.224
97 HD2 TYR 14 HD2 TYR 14 -9.661 0.539 -12.472
98 HE1 TYR 14 HE1 TYR 14 -13.227 3.531 -14.216
99 HE2 TYR 14 HE2 TYR 14 -11.002 -0.130 -14.469
100 HH TYR 14 HH TYR 14 -12.736 0.413 -15.869
101 H GLN 15 H GLN 15 -6.732 2.759 -11.063
102 HA GLN 15 HA GLN 15 -6.113 3.546 -8.321
103 HB2 GLN 15 1HB GLN 15 -4.459 2.174 -10.477
104 HB3 GLN 15 2HB GLN 15 -3.940 2.400 -8.805
105 HG2 GLN 15 1HG GLN 15 -6.375 0.813 -9.676
106 HG3 GLN 15 2HG GLN 15 -4.799 0.135 -9.247
107 HE21 GLN 15 2HE2 GLN 15 -7.774 0.432 -8.073
108 HE22 GLN 15 1HE2 GLN 15 -7.440 0.627 -6.373
109 H LEU 16 H LEU 16 -5.097 4.416 -11.601
110 HA LEU 16 HA LEU 16 -2.945 6.122 -10.889
111 HB2 LEU 16 1HB LEU 16 -4.781 6.065 -13.278
112 HB3 LEU 16 2HB LEU 16 -3.449 7.207 -13.145
113 HG LEU 16 HG LEU 16 -3.062 4.202 -12.954
114 HD11 LEU 16 1HD1 LEU 16 -2.752 5.981 -15.392
115 HD12 LEU 16 2HD1 LEU 16 -3.982 4.718 -15.157
116 HD13 LEU 16 3HD1 LEU 16 -2.277 4.268 -15.272
117 HD21 LEU 16 3HD2 LEU 16 -0.728 4.759 -13.507
118 HD22 LEU 16 1HD2 LEU 16 -1.235 5.561 -12.013
119 HD23 LEU 16 2HD2 LEU 16 -1.135 6.486 -13.528
120 H GLU 17 H GLU 17 -6.449 6.815 -11.064
121 HA GLU 17 HA GLU 17 -6.290 9.639 -10.852
122 HB2 GLU 17 1HB GLU 17 -8.304 7.625 -9.812
123 HB3 GLU 17 2HB GLU 17 -8.513 9.365 -9.592
124 HG2 GLU 17 1HG GLU 17 -8.472 9.695 -12.021
125 HG3 GLU 17 2HG GLU 17 -8.268 7.958 -12.257
126 HE2 GLU 17 HE2 GLU 17 -11.514 7.237 -11.695
127 H ASN 18 H ASN 18 -5.829 7.170 -8.355
128 HA ASN 18 HA ASN 18 -6.172 8.912 -6.107
129 HB2 ASN 18 1HB ASN 18 -4.589 6.339 -6.366
130 HB3 ASN 18 2HB ASN 18 -4.967 7.144 -4.842
131 HD21 ASN 18 2HD2 ASN 18 -5.732 4.509 -6.232
132 HD22 ASN 18 1HD2 ASN 18 -7.466 4.449 -6.013
133 H TYR 19 H TYR 19 -3.456 8.426 -8.266
134 HA TYR 19 HA TYR 19 -1.371 9.358 -6.469
135 HB2 TYR 19 1HB TYR 19 -1.670 9.204 -9.461
136 HB3 TYR 19 2HB TYR 19 -0.219 9.836 -8.719
137 HD1 TYR 19 HD2 TYR 19 -2.299 6.753 -9.041
138 HD2 TYR 19 HD1 TYR 19 1.486 8.417 -7.890
139 HE1 TYR 19 HE2 TYR 19 -1.331 4.463 -8.923
140 HE2 TYR 19 HE1 TYR 19 2.445 6.131 -7.774
141 HH TYR 19 HH TYR 19 0.519 3.211 -8.513
142 H CYS 20 H CYS 20 -3.897 10.878 -8.326
143 HA CYS 20 HA CYS 20 -2.532 13.491 -8.402
144 HB2 CYS 20 1HB CYS 20 -5.351 12.705 -9.226
145 HB3 CYS 20 2HB CYS 20 -4.502 14.204 -9.654
146 H ASN 21 H ASN 21 -2.932 15.086 -6.956
147 HA ASN 21 HA ASN 21 -3.480 16.142 -5.038
148 HB2 ASN 21 1HB ASN 21 -5.670 16.470 -6.040
149 HB3 ASN 21 2HB ASN 21 -6.174 14.872 -5.514
150 HD21 ASN 21 2HD2 ASN 21 -7.144 14.683 -3.559
151 HD22 ASN 21 1HD2 ASN 21 -7.122 15.927 -2.336
152 HXT ASN 21 H02 ASN 21 -4.712 13.029 -4.826
153 H1 PHE 1 3H0 PHE 1 -8.918 3.477 -22.367
154 H2 PHE 1 2H0 PHE 1 -8.262 2.588 -23.592
155 H3 PHE 1 1H0 PHE 1 -9.214 1.857 -22.464
156 HA PHE 1 HA PHE 1 -6.575 3.071 -21.971
157 HB2 PHE 1 1HB PHE 1 -8.402 3.178 -20.141
158 HB3 PHE 1 2HB PHE 1 -8.239 1.421 -20.040
159 HD1 PHE 1 HD1 PHE 1 -6.443 4.665 -19.602
160 HD2 PHE 1 HD2 PHE 1 -6.370 0.416 -18.879
161 HE1 PHE 1 HE1 PHE 1 -4.497 4.961 -18.078
162 HE2 PHE 1 HE2 PHE 1 -4.422 0.712 -17.352
163 HZ PHE 1 HZ PHE 1 -3.474 2.982 -16.963
164 H VAL 2 H VAL 2 -4.878 1.462 -21.515
165 HA VAL 2 HA VAL 2 -5.543 -1.257 -22.598
166 HB VAL 2 HB VAL 2 -2.966 0.360 -23.006
167 HG11 VAL 2 1HG1 VAL 2 -2.301 -1.528 -24.500
168 HG12 VAL 2 2HG1 VAL 2 -2.489 -2.048 -22.817
169 HG13 VAL 2 3HG1 VAL 2 -3.760 -2.418 -24.010
170 HG21 VAL 2 3HG2 VAL 2 -5.166 -0.411 -24.981
171 HG22 VAL 2 1HG2 VAL 2 -4.729 1.233 -24.452
172 HG23 VAL 2 2HG2 VAL 2 -3.595 0.292 -25.433
173 H ASN 3 H ASN 3 -4.840 -2.920 -21.254
174 HA ASN 3 HA ASN 3 -3.856 -2.102 -18.642
175 HB2 ASN 3 1HB ASN 3 -3.835 -4.429 -18.040
176 HB3 ASN 3 2HB ASN 3 -5.387 -4.049 -18.819
177 HD21 ASN 3 2HD2 ASN 3 -5.682 -4.821 -21.043
178 HD22 ASN 3 1HD2 ASN 3 -4.775 -6.210 -21.580
179 H GLN 4 H GLN 4 -1.886 -2.021 -17.909
180 HA GLN 4 HA GLN 4 0.138 -3.856 -18.825
181 HB2 GLN 4 1HB GLN 4 1.817 -2.078 -19.373
182 HB3 GLN 4 2HB GLN 4 0.539 -2.250 -20.578
183 HG2 GLN 4 1HG GLN 4 -0.611 -0.275 -19.629
184 HG3 GLN 4 2HG GLN 4 0.710 -0.081 -18.476
185 HE21 GLN 4 2HE2 GLN 4 -0.462 0.662 -21.554
186 HE22 GLN 4 1HE2 GLN 4 0.983 1.397 -22.206
187 H HIS 5 H HIS 5 1.688 -4.038 -17.229
188 HA HIS 5 HA HIS 5 1.213 -2.811 -14.618
189 HB2 HIS 5 1HB HIS 5 3.706 -4.194 -15.716
190 HB3 HIS 5 2HB HIS 5 3.368 -3.835 -14.021
191 HD1 HIS 5 HD1 HIS 5 0.619 -4.873 -13.543
192 HD2 HIS 5 HD2 HIS 5 3.315 -6.891 -15.940
193 HE1 HIS 5 HE1 HIS 5 -0.161 -7.312 -13.672
194 HE2 HIS 5 HE2 HIS 5 1.517 -8.513 -15.116
195 H LEU 6 H LEU 6 2.425 -1.023 -13.706
196 HA LEU 6 HA LEU 6 4.004 0.525 -15.737
197 HB2 LEU 6 1HB LEU 6 1.772 1.507 -13.942
198 HB3 LEU 6 2HB LEU 6 2.888 2.566 -14.782
199 HG LEU 6 HG LEU 6 0.942 0.698 -16.161
200 HD11 LEU 6 1HD1 LEU 6 0.863 3.705 -15.737
201 HD12 LEU 6 2HD1 LEU 6 -0.163 2.529 -14.908
202 HD13 LEU 6 3HD1 LEU 6 -0.318 2.740 -16.656
203 HD21 LEU 6 3HD2 LEU 6 2.720 2.929 -17.205
204 HD22 LEU 6 1HD2 LEU 6 1.483 2.091 -18.148
205 HD23 LEU 6 2HD2 LEU 6 2.890 1.189 -17.560
206 H CYS 7 H CYS 7 5.911 1.167 -15.038
207 HA CYS 7 HA CYS 7 6.223 1.911 -12.165
208 HB2 CYS 7 1HB CYS 7 8.199 0.283 -13.814
209 HB3 CYS 7 2HB CYS 7 8.461 0.865 -12.170
210 H GLY 8 H GLY 8 8.037 3.417 -11.852
211 HA2 GLY 8 1HA GLY 8 9.366 5.200 -12.452
212 HA3 GLY 8 2HA GLY 8 9.818 4.198 -13.833
213 H SER 9 H SER 9 9.919 5.548 -15.500
214 HA SER 9 HA SER 9 8.340 7.872 -15.833
215 HB2 SER 9 1HB SER 9 9.133 7.689 -18.236
216 HB3 SER 9 2HB SER 9 10.415 7.641 -17.002
217 HG SER 9 HG SER 9 10.682 5.997 -18.565
218 H HIS 10 H HIS 10 7.683 4.505 -16.820
219 HA HIS 10 HA HIS 10 5.583 5.153 -18.676
220 HB2 HIS 10 1HB HIS 10 6.400 2.721 -17.123
221 HB3 HIS 10 2HB HIS 10 4.772 2.772 -17.783
222 HD1 HIS 10 HD1 HIS 10 4.517 1.838 -20.090
223 HD2 HIS 10 HD2 HIS 10 8.382 3.303 -19.345
224 HE1 HIS 10 HE1 HIS 10 5.901 1.384 -22.178
225 HE2 HIS 10 HE2 HIS 10 8.225 2.278 -21.721
226 H LEU 11 H LEU 11 5.660 4.728 -15.153
227 HA LEU 11 HA LEU 11 2.803 4.746 -14.812
228 HB2 LEU 11 1HB LEU 11 4.500 3.911 -13.175
229 HB3 LEU 11 2HB LEU 11 5.014 5.563 -12.897
230 HG LEU 11 HG LEU 11 2.851 6.098 -11.879
231 HD11 LEU 11 1HD1 LEU 11 2.215 3.146 -12.250
232 HD12 LEU 11 2HD1 LEU 11 1.421 4.492 -13.100
233 HD13 LEU 11 3HD1 LEU 11 1.246 4.333 -11.345
234 HD21 LEU 11 3HD2 LEU 11 4.113 3.555 -10.763
235 HD22 LEU 11 1HD2 LEU 11 3.210 4.788 -9.852
236 HD23 LEU 11 2HD2 LEU 11 4.778 5.197 -10.573
237 H VAL 12 H VAL 12 5.333 7.256 -14.739
238 HA VAL 12 HA VAL 12 3.614 9.444 -14.079
239 HB VAL 12 HB VAL 12 6.259 9.369 -15.618
240 HG11 VAL 12 1HG1 VAL 12 4.866 11.721 -14.289
241 HG12 VAL 12 2HG1 VAL 12 6.496 11.744 -14.991
242 HG13 VAL 12 3HG1 VAL 12 5.087 11.487 -16.035
243 HG21 VAL 12 3HG2 VAL 12 7.246 10.021 -13.421
244 HG22 VAL 12 1HG2 VAL 12 5.645 9.863 -12.669
245 HG23 VAL 12 2HG2 VAL 12 6.457 8.437 -13.348
246 H GLU 13 H GLU 13 4.630 8.057 -17.221
247 HA GLU 13 HA GLU 13 3.447 10.069 -18.871
248 HB2 GLU 13 1HB GLU 13 4.117 7.147 -19.273
249 HB3 GLU 13 2HB GLU 13 3.414 8.123 -20.568
250 HG2 GLU 13 1HG GLU 13 5.301 9.579 -20.645
251 HG3 GLU 13 2HG GLU 13 5.955 8.941 -19.136
252 HE2 GLU 13 HE2 GLU 13 7.669 7.539 -21.977
253 H ALA 14 H ALA 14 2.106 7.197 -17.291
254 HA ALA 14 HA ALA 14 -0.382 7.298 -18.772
255 HB1 ALA 14 3HB ALA 14 0.543 5.259 -17.702
256 HB2 ALA 14 1HB ALA 14 0.246 5.996 -16.109
257 HB3 ALA 14 2HB ALA 14 -1.120 5.627 -17.191
258 H LEU 15 H LEU 15 0.824 8.675 -15.724
259 HA LEU 15 HA LEU 15 -1.722 9.473 -14.700
260 HB2 LEU 15 1HB LEU 15 1.100 10.472 -14.262
261 HB3 LEU 15 2HB LEU 15 -0.284 11.190 -13.448
262 HG LEU 15 HG LEU 15 0.414 8.256 -13.217
263 HD11 LEU 15 1HD1 LEU 15 2.231 9.675 -12.279
264 HD12 LEU 15 2HD1 LEU 15 1.371 8.724 -11.051
265 HD13 LEU 15 3HD1 LEU 15 1.030 10.459 -11.229
266 HD21 LEU 15 3HD2 LEU 15 -1.093 8.323 -11.338
267 HD22 LEU 15 1HD2 LEU 15 -1.925 8.875 -12.787
268 HD23 LEU 15 2HD2 LEU 15 -1.374 10.062 -11.592
269 H TYR 16 H TYR 16 0.497 11.009 -16.994
270 HA TYR 16 HA TYR 16 -0.724 13.581 -17.092
271 HB2 TYR 16 1HB TYR 16 0.730 11.879 -19.129
272 HB3 TYR 16 2HB TYR 16 -0.054 13.378 -19.620
273 HD1 TYR 16 HD2 TYR 16 0.623 15.572 -18.497
274 HD2 TYR 16 HD1 TYR 16 2.906 11.948 -18.108
275 HE1 TYR 16 HE2 TYR 16 2.617 16.897 -17.792
276 HE2 TYR 16 HE1 TYR 16 4.903 13.286 -17.431
277 HH TYR 16 HH TYR 16 4.809 16.835 -17.140
278 H LEU 17 H LEU 17 -1.610 10.499 -18.676
279 HA LEU 17 HA LEU 17 -3.667 11.714 -20.290
280 HB2 LEU 17 1HB LEU 17 -3.361 8.850 -19.355
281 HB3 LEU 17 2HB LEU 17 -4.440 9.425 -20.611
282 HG LEU 17 HG LEU 17 -1.409 9.564 -20.758
283 HD11 LEU 17 1HD1 LEU 17 -2.214 7.234 -20.631
284 HD12 LEU 17 2HD1 LEU 17 -1.574 7.612 -22.244
285 HD13 LEU 17 3HD1 LEU 17 -3.334 7.546 -21.982
286 HD21 LEU 17 3HD2 LEU 17 -2.499 11.206 -22.216
287 HD22 LEU 17 1HD2 LEU 17 -3.563 9.944 -22.882
288 HD23 LEU 17 2HD2 LEU 17 -1.810 9.893 -23.187
289 H VAL 18 H VAL 18 -3.710 9.944 -17.189
290 HA VAL 18 HA VAL 18 -6.584 9.758 -17.158
291 HB VAL 18 HB VAL 18 -4.525 9.372 -14.935
292 HG11 VAL 18 1HG1 VAL 18 -6.713 9.768 -13.923
293 HG12 VAL 18 2HG1 VAL 18 -7.476 8.604 -15.034
294 HG13 VAL 18 3HG1 VAL 18 -6.314 8.045 -13.805
295 HG21 VAL 18 3HG2 VAL 18 -5.918 7.465 -16.852
296 HG22 VAL 18 1HG2 VAL 18 -4.181 7.820 -16.752
297 HG23 VAL 18 2HG2 VAL 18 -4.980 6.949 -15.439
298 H CYS 19 H CYS 19 -4.264 11.934 -15.514
299 HA CYS 19 HA CYS 19 -6.608 13.363 -14.400
300 HB2 CYS 19 1HB CYS 19 -3.661 13.518 -13.786
301 HB3 CYS 19 2HB CYS 19 -4.878 14.618 -13.091
302 H GLY 20 H GLY 20 -4.573 13.538 -17.162
303 HA2 GLY 20 1HA GLY 20 -4.587 15.100 -18.842
304 HA3 GLY 20 2HA GLY 20 -6.105 15.684 -18.156
305 H GLU 21 H GLU 21 -5.734 17.791 -18.617
306 HA GLU 21 HA GLU 21 -3.337 19.207 -17.994
307 HB2 GLU 21 1HB GLU 21 -6.158 20.274 -18.353
308 HB3 GLU 21 2HB GLU 21 -4.668 21.218 -18.445
309 HG2 GLU 21 1HG GLU 21 -5.545 19.017 -20.351
310 HG3 GLU 21 2HG GLU 21 -5.495 20.752 -20.685
311 HE2 GLU 21 HE2 GLU 21 -1.991 20.733 -20.749
312 H ARG 22 H ARG 22 -5.613 17.989 -15.809
313 HA ARG 22 HA ARG 22 -5.665 20.227 -13.938
314 HB2 ARG 22 1HB ARG 22 -6.209 17.263 -13.535
315 HB3 ARG 22 2HB ARG 22 -6.539 18.524 -12.349
316 HG2 ARG 22 1HG ARG 22 -8.197 19.546 -13.783
317 HG3 ARG 22 2HG ARG 22 -7.804 18.445 -15.115
318 HD2 ARG 22 1HD ARG 22 -8.846 17.506 -12.424
319 HD3 ARG 22 2HD ARG 22 -9.887 17.869 -13.817
320 HE ARG 22 HE ARG 22 -7.833 16.057 -14.633
321 HH11 ARG 22 1HH1 ARG 22 -10.767 16.061 -12.660
322 HH12 ARG 22 2HH1 ARG 22 -11.083 14.374 -12.961
323 HH21 ARG 22 1HH2 ARG 22 -8.327 13.907 -14.992
324 HH22 ARG 22 2HH2 ARG 22 -9.723 13.183 -14.248
325 H GLY 23 H GLY 23 -3.404 17.742 -14.771
326 HA2 GLY 23 1HA GLY 23 -1.196 17.626 -14.048
327 HA3 GLY 23 2HA GLY 23 -1.549 18.798 -12.770
328 H PHE 24 H PHE 24 0.048 16.880 -12.034
329 HA PHE 24 HA PHE 24 -1.386 15.367 -10.016
330 HB2 PHE 24 1HB PHE 24 -0.719 13.157 -10.774
331 HB3 PHE 24 2HB PHE 24 -1.717 13.909 -12.022
332 HD1 PHE 24 HD1 PHE 24 -0.742 14.679 -14.137
333 HD2 PHE 24 HD2 PHE 24 1.616 12.691 -11.160
334 HE1 PHE 24 HE1 PHE 24 1.053 14.307 -15.807
335 HE2 PHE 24 HE2 PHE 24 3.405 12.287 -12.817
336 HZ PHE 24 HZ PHE 24 3.131 13.099 -15.162
337 H PHE 25 H PHE 25 0.487 13.916 -8.935
338 HA PHE 25 HA PHE 25 3.152 15.106 -9.486
339 HB2 PHE 25 1HB PHE 25 3.639 15.204 -7.071
340 HB3 PHE 25 2HB PHE 25 2.348 16.317 -7.529
341 HD1 PHE 25 HD1 PHE 25 3.048 13.029 -5.887
342 HD2 PHE 25 HD2 PHE 25 0.178 16.162 -6.570
343 HE1 PHE 25 HE1 PHE 25 1.568 12.048 -4.143
344 HE2 PHE 25 HE2 PHE 25 -1.286 15.204 -4.809
345 HZ PHE 25 HZ PHE 25 -0.609 13.138 -3.600
346 H TYR 26 H TYR 26 4.863 13.710 -8.427
347 HA TYR 26 HA TYR 26 4.037 10.889 -8.037
348 HB2 TYR 26 1HB TYR 26 4.593 11.004 -10.428
349 HB3 TYR 26 2HB TYR 26 6.105 11.852 -10.062
350 HD1 TYR 26 HD1 TYR 26 4.302 8.632 -9.281
351 HD2 TYR 26 HD2 TYR 26 8.094 10.610 -9.777
352 HE1 TYR 26 HE1 TYR 26 5.483 6.460 -8.981
353 HE2 TYR 26 HE2 TYR 26 9.263 8.424 -9.503
354 HH TYR 26 HH TYR 26 9.040 6.193 -9.083
355 H THR 27 H THR 27 5.563 9.813 -6.689
356 HA THR 27 HA THR 27 7.380 11.694 -5.261
357 HB THR 27 HB THR 27 7.181 10.019 -3.395
358 HG1 THR 27 HG1 THR 27 6.559 8.248 -4.723
359 HG21 THR 27 1HG2 THR 27 5.709 12.051 -3.565
360 HG22 THR 27 2HG2 THR 27 4.941 10.681 -2.732
361 HG23 THR 27 3HG2 THR 27 4.502 11.052 -4.412
362 HA PRO 28 HA PRO 28 10.303 8.739 -7.137
363 HB2 PRO 28 1HB PRO 28 12.414 10.412 -7.504
364 HB3 PRO 28 2HB PRO 28 11.015 10.407 -8.626
365 HG2 PRO 28 1HG PRO 28 11.581 12.242 -6.314
366 HG3 PRO 28 2HG PRO 28 11.120 12.656 -7.992
367 HD2 PRO 28 1HD PRO 28 9.321 12.547 -5.948
368 HD3 PRO 28 2HD PRO 28 8.886 12.098 -7.632
369 H LYS 29 H LYS 29 12.284 7.817 -6.223
370 HA LYS 29 HA LYS 29 12.522 8.308 -3.321
371 HB2 LYS 29 1HB LYS 29 13.813 6.295 -5.201
372 HB3 LYS 29 2HB LYS 29 14.190 6.436 -3.479
373 HG2 LYS 29 1HG LYS 29 11.883 5.877 -2.888
374 HG3 LYS 29 2HG LYS 29 11.443 5.807 -4.602
375 HD2 LYS 29 1HD LYS 29 11.742 3.552 -3.845
376 HD3 LYS 29 2HD LYS 29 13.108 3.930 -4.901
377 HE2 LYS 29 1HE LYS 29 13.340 4.263 -1.889
378 HE3 LYS 29 2HE LYS 29 13.504 2.663 -2.628
379 HZ1 LYS 29 3HZ LYS 29 15.357 3.479 -3.930
380 HZ2 LYS 29 1HZ LYS 29 15.651 3.764 -2.332
381 HZ3 LYS 29 2HZ LYS 29 15.193 5.001 -3.322
382 H THR 30 H THR 30 13.394 10.411 -3.395
383 HA THR 30 HA THR 30 15.818 11.037 -4.825
384 HB THR 30 HB THR 30 15.759 13.083 -3.306
385 HG1 THR 30 HG1 THR 30 14.789 11.949 -1.512
386 HG21 THR 30 1HG2 THR 30 13.032 12.322 -4.543
387 HG22 THR 30 2HG2 THR 30 14.400 12.978 -5.467
388 HG23 THR 30 3HG2 THR 30 13.620 13.958 -4.216
389 HXT THR 30 H02 THR 30 18.291 10.454 -2.660
Start of MODEL 5
1 H1 GLY 1 3H0 GLY 1 1.859 -0.238 -0.418
2 H2 GLY 1 2H0 GLY 1 3.357 -0.072 -1.088
3 H3 GLY 1 1H0 GLY 1 3.070 0.482 0.439
4 HA2 GLY 1 1HA GLY 1 1.564 2.145 -0.363
5 HA3 GLY 1 2HA GLY 1 3.167 2.304 -1.109
6 H ILE 2 H ILE 2 1.064 3.484 -2.399
7 HA ILE 2 HA ILE 2 -0.360 1.778 -4.170
8 HB ILE 2 HB ILE 2 -0.979 4.101 -3.512
9 HG12 ILE 2 1HG1 ILE 2 -0.831 3.688 -6.511
10 HG13 ILE 2 2HG1 ILE 2 -1.918 2.799 -5.446
11 HG21 ILE 2 1HG2 ILE 2 1.137 5.006 -5.534
12 HG22 ILE 2 2HG2 ILE 2 0.014 6.048 -4.642
13 HG23 ILE 2 3HG2 ILE 2 1.284 5.169 -3.774
14 HD11 ILE 2 3HD1 ILE 2 -2.963 4.937 -4.748
15 HD12 ILE 2 1HD1 ILE 2 -1.919 5.797 -5.908
16 HD13 ILE 2 2HD1 ILE 2 -3.109 4.616 -6.490
17 H VAL 3 H VAL 3 2.842 3.282 -4.516
18 HA VAL 3 HA VAL 3 3.068 2.798 -7.306
19 HB VAL 3 HB VAL 3 4.537 4.363 -6.166
20 HG11 VAL 3 1HG1 VAL 3 4.780 3.231 -4.001
21 HG12 VAL 3 2HG1 VAL 3 5.790 1.975 -4.761
22 HG13 VAL 3 3HG1 VAL 3 6.356 3.657 -4.688
23 HG21 VAL 3 3HG2 VAL 3 6.654 3.765 -7.202
24 HG22 VAL 3 1HG2 VAL 3 6.164 2.056 -7.310
25 HG23 VAL 3 2HG2 VAL 3 5.310 3.286 -8.266
26 H GLU 4 H GLU 4 3.594 0.640 -4.513
27 HA GLU 4 HA GLU 4 4.865 -1.422 -6.081
28 HB2 GLU 4 1HB GLU 4 3.324 -1.461 -3.470
29 HB3 GLU 4 2HB GLU 4 3.883 -2.941 -4.247
30 HG2 GLU 4 1HG GLU 4 5.544 -2.438 -2.695
31 HG3 GLU 4 2HG GLU 4 6.198 -1.944 -4.263
32 HE2 GLU 4 HE2 GLU 4 7.503 -0.664 -3.340
33 H GLN 5 H GLN 5 1.458 -0.767 -5.169
34 HA GLN 5 HA GLN 5 0.354 -3.111 -6.304
35 HB2 GLN 5 1HB GLN 5 -0.803 -1.429 -4.824
36 HB3 GLN 5 2HB GLN 5 -0.919 -0.344 -6.207
37 HG2 GLN 5 1HG GLN 5 -2.071 -3.148 -6.311
38 HG3 GLN 5 2HG GLN 5 -2.970 -1.816 -5.575
39 HE21 GLN 5 2HE2 GLN 5 -3.081 -3.549 -8.184
40 HE22 GLN 5 1HE2 GLN 5 -3.477 -2.364 -9.405
41 H CYS 6 H CYS 6 1.086 0.065 -7.754
42 HA CYS 6 HA CYS 6 -0.106 -0.674 -10.282
43 HB2 CYS 6 1HB CYS 6 0.077 1.631 -9.317
44 HB3 CYS 6 2HB CYS 6 1.810 1.590 -9.652
45 H CYS 7 H CYS 7 3.165 -0.877 -8.953
46 HA CYS 7 HA CYS 7 4.361 -1.302 -11.563
47 HB2 CYS 7 1HB CYS 7 5.278 -1.131 -8.783
48 HB3 CYS 7 2HB CYS 7 6.114 -2.380 -9.710
49 H THR 8 H THR 8 3.408 -3.436 -8.807
50 HA THR 8 HA THR 8 4.368 -5.760 -10.329
51 HB THR 8 HB THR 8 4.710 -5.468 -7.816
52 HG1 THR 8 HG1 THR 8 3.546 -7.806 -8.945
53 HG21 THR 8 1HG2 THR 8 1.968 -6.700 -7.542
54 HG22 THR 8 2HG2 THR 8 2.177 -4.940 -7.443
55 HG23 THR 8 3HG2 THR 8 3.018 -5.995 -6.291
56 H SER 9 H SER 9 1.299 -4.175 -9.804
57 HA SER 9 HA SER 9 0.036 -6.418 -11.292
58 HB2 SER 9 1HB SER 9 -1.138 -5.028 -8.825
59 HB3 SER 9 2HB SER 9 -1.975 -6.235 -9.823
60 HG SER 9 HG SER 9 -1.040 -7.216 -8.006
61 H ILE 10 H ILE 10 -2.390 -5.586 -11.837
62 HA ILE 10 HA ILE 10 -1.731 -3.422 -13.666
63 HB ILE 10 HB ILE 10 -4.382 -4.860 -13.196
64 HG12 ILE 10 1HG1 ILE 10 -2.576 -6.402 -13.889
65 HG13 ILE 10 2HG1 ILE 10 -3.870 -6.265 -15.072
66 HG21 ILE 10 1HG2 ILE 10 -4.804 -2.737 -14.305
67 HG22 ILE 10 2HG2 ILE 10 -3.483 -3.017 -15.462
68 HG23 ILE 10 3HG2 ILE 10 -4.953 -4.026 -15.504
69 HD11 ILE 10 3HD1 ILE 10 -2.506 -4.913 -16.529
70 HD12 ILE 10 1HD1 ILE 10 -1.232 -4.784 -15.307
71 HD13 ILE 10 2HD1 ILE 10 -1.582 -6.350 -16.066
72 H CYS 11 H CYS 11 -2.028 -1.322 -13.365
73 HA CYS 11 HA CYS 11 -3.974 -0.451 -11.275
74 HB2 CYS 11 1HB CYS 11 -2.677 1.811 -12.038
75 HB3 CYS 11 2HB CYS 11 -2.184 0.790 -10.677
76 H SER 12 H SER 12 -5.899 -0.243 -12.199
77 HA SER 12 HA SER 12 -6.263 0.444 -15.008
78 HB2 SER 12 1HB SER 12 -8.662 0.554 -14.337
79 HB3 SER 12 2HB SER 12 -7.894 -0.948 -13.778
80 HG SER 12 HG SER 12 -8.950 -0.160 -12.025
81 H LEU 13 H LEU 13 -7.768 2.453 -15.429
82 HA LEU 13 HA LEU 13 -6.347 4.780 -14.728
83 HB2 LEU 13 1HB LEU 13 -8.165 6.023 -15.698
84 HB3 LEU 13 2HB LEU 13 -7.795 4.611 -16.674
85 HG LEU 13 HG LEU 13 -9.853 3.672 -15.082
86 HD11 LEU 13 1HD1 LEU 13 -10.289 5.903 -14.167
87 HD12 LEU 13 2HD1 LEU 13 -11.618 5.397 -15.223
88 HD13 LEU 13 3HD1 LEU 13 -10.423 6.573 -15.811
89 HD21 LEU 13 3HD2 LEU 13 -9.564 3.325 -17.494
90 HD22 LEU 13 1HD2 LEU 13 -10.029 5.019 -17.804
91 HD23 LEU 13 2HD2 LEU 13 -11.210 3.875 -17.119
92 H TYR 14 H TYR 14 -9.033 3.204 -13.022
93 HA TYR 14 HA TYR 14 -9.655 5.404 -11.312
94 HB2 TYR 14 1HB TYR 14 -9.878 2.466 -10.620
95 HB3 TYR 14 2HB TYR 14 -10.863 3.802 -10.008
96 HD1 TYR 14 HD1 TYR 14 -12.312 5.090 -11.794
97 HD2 TYR 14 HD2 TYR 14 -10.586 1.206 -12.467
98 HE1 TYR 14 HE1 TYR 14 -13.933 4.685 -13.648
99 HE2 TYR 14 HE2 TYR 14 -12.194 0.821 -14.343
100 HH TYR 14 HH TYR 14 -14.661 3.228 -15.256
101 H GLN 15 H GLN 15 -7.311 2.726 -11.060
102 HA GLN 15 HA GLN 15 -6.483 3.307 -8.361
103 HB2 GLN 15 1HB GLN 15 -4.969 2.005 -10.658
104 HB3 GLN 15 2HB GLN 15 -4.462 1.988 -8.971
105 HG2 GLN 15 1HG GLN 15 -7.020 0.744 -10.051
106 HG3 GLN 15 2HG GLN 15 -5.528 -0.131 -9.671
107 HE21 GLN 15 2HE2 GLN 15 -4.686 0.287 -7.369
108 HE22 GLN 15 1HE2 GLN 15 -5.914 0.263 -6.117
109 H LEU 16 H LEU 16 -5.476 4.330 -11.598
110 HA LEU 16 HA LEU 16 -3.203 5.844 -10.768
111 HB2 LEU 16 1HB LEU 16 -4.919 5.930 -13.247
112 HB3 LEU 16 2HB LEU 16 -3.471 6.908 -13.045
113 HG LEU 16 HG LEU 16 -3.488 3.872 -12.856
114 HD11 LEU 16 1HD1 LEU 16 -4.154 4.551 -15.100
115 HD12 LEU 16 2HD1 LEU 16 -2.516 3.877 -15.110
116 HD13 LEU 16 3HD1 LEU 16 -2.752 5.641 -15.209
117 HD21 LEU 16 3HD2 LEU 16 -1.204 5.865 -13.183
118 HD22 LEU 16 1HD2 LEU 16 -1.046 4.095 -13.199
119 HD23 LEU 16 2HD2 LEU 16 -1.569 4.922 -11.722
120 H GLU 17 H GLU 17 -6.648 6.765 -11.084
121 HA GLU 17 HA GLU 17 -6.348 9.572 -10.904
122 HB2 GLU 17 1HB GLU 17 -8.464 7.686 -9.834
123 HB3 GLU 17 2HB GLU 17 -8.590 9.435 -9.658
124 HG2 GLU 17 1HG GLU 17 -8.613 9.736 -12.053
125 HG3 GLU 17 2HG GLU 17 -8.329 8.020 -12.310
126 HE2 GLU 17 HE2 GLU 17 -10.381 9.951 -10.472
127 H ASN 18 H ASN 18 -5.920 7.163 -8.375
128 HA ASN 18 HA ASN 18 -6.236 8.892 -6.115
129 HB2 ASN 18 1HB ASN 18 -4.618 6.365 -6.490
130 HB3 ASN 18 2HB ASN 18 -4.797 7.191 -4.937
131 HD21 ASN 18 2HD2 ASN 18 -6.163 5.003 -7.144
132 HD22 ASN 18 1HD2 ASN 18 -7.681 4.762 -6.306
133 H TYR 19 H TYR 19 -3.601 8.531 -8.390
134 HA TYR 19 HA TYR 19 -1.525 9.693 -6.690
135 HB2 TYR 19 1HB TYR 19 -1.859 9.221 -9.643
136 HB3 TYR 19 2HB TYR 19 -0.438 10.011 -9.008
137 HD1 TYR 19 HD2 TYR 19 -2.287 6.782 -9.105
138 HD2 TYR 19 HD1 TYR 19 1.322 8.793 -7.932
139 HE1 TYR 19 HE2 TYR 19 -1.166 4.582 -8.793
140 HE2 TYR 19 HE1 TYR 19 2.437 6.581 -7.621
141 HH TYR 19 HH TYR 19 0.731 3.501 -8.222
142 H CYS 20 H CYS 20 -4.333 11.017 -7.991
143 HA CYS 20 HA CYS 20 -3.014 13.641 -8.544
144 HB2 CYS 20 1HB CYS 20 -5.702 12.655 -9.530
145 HB3 CYS 20 2HB CYS 20 -4.817 14.096 -10.071
146 H ASN 21 H ASN 21 -3.939 15.510 -7.679
147 HA ASN 21 HA ASN 21 -5.166 15.180 -5.098
148 HB2 ASN 21 1HB ASN 21 -3.664 17.139 -5.824
149 HB3 ASN 21 2HB ASN 21 -5.069 17.784 -6.687
150 HD21 ASN 21 2HD2 ASN 21 -6.036 19.342 -5.536
151 HD22 ASN 21 1HD2 ASN 21 -6.256 19.306 -3.807
152 HXT ASN 21 H02 ASN 21 -8.153 15.835 -7.433
153 H1 PHE 1 3H0 PHE 1 -9.678 2.389 -21.974
154 H2 PHE 1 2H0 PHE 1 -8.972 1.493 -23.168
155 H3 PHE 1 1H0 PHE 1 -9.658 0.742 -21.872
156 HA PHE 1 HA PHE 1 -7.275 2.475 -21.799
157 HB2 PHE 1 1HB PHE 1 -8.832 2.556 -19.795
158 HB3 PHE 1 2HB PHE 1 -8.528 0.830 -19.567
159 HD1 PHE 1 HD2 PHE 1 -6.995 4.218 -19.501
160 HD2 PHE 1 HD1 PHE 1 -6.458 0.042 -18.573
161 HE1 PHE 1 HE2 PHE 1 -4.948 4.775 -18.199
162 HE2 PHE 1 HE1 PHE 1 -4.407 0.597 -17.268
163 HZ PHE 1 HZ PHE 1 -3.642 2.965 -17.098
164 H VAL 2 H VAL 2 -5.281 1.361 -21.860
165 HA VAL 2 HA VAL 2 -5.530 -1.536 -22.518
166 HB VAL 2 HB VAL 2 -3.150 0.361 -22.856
167 HG11 VAL 2 1HG1 VAL 2 -2.199 -1.475 -24.246
168 HG12 VAL 2 2HG1 VAL 2 -2.446 -1.995 -22.567
169 HG13 VAL 2 3HG1 VAL 2 -3.589 -2.505 -23.833
170 HG21 VAL 2 3HG2 VAL 2 -5.152 -0.703 -24.902
171 HG22 VAL 2 1HG2 VAL 2 -4.948 0.993 -24.396
172 HG23 VAL 2 2HG2 VAL 2 -3.660 0.179 -25.300
173 H ASN 3 H ASN 3 -5.324 -2.838 -20.787
174 HA ASN 3 HA ASN 3 -4.179 -1.914 -18.312
175 HB2 ASN 3 1HB ASN 3 -4.829 -4.701 -19.320
176 HB3 ASN 3 2HB ASN 3 -4.177 -4.359 -17.711
177 HD21 ASN 3 2HD2 ASN 3 -6.785 -5.519 -18.538
178 HD22 ASN 3 1HD2 ASN 3 -7.995 -4.489 -17.814
179 H GLN 4 H GLN 4 -2.189 -1.936 -17.594
180 HA GLN 4 HA GLN 4 -0.303 -3.990 -18.379
181 HB2 GLN 4 1HB GLN 4 1.418 -2.411 -19.192
182 HB3 GLN 4 2HB GLN 4 0.013 -2.410 -20.260
183 HG2 GLN 4 1HG GLN 4 -0.785 -0.333 -18.977
184 HG3 GLN 4 2HG GLN 4 0.836 -0.283 -18.278
185 HE21 GLN 4 2HE2 GLN 4 -1.071 -0.022 -21.204
186 HE22 GLN 4 1HE2 GLN 4 0.145 0.804 -22.151
187 H HIS 5 H HIS 5 1.440 -3.871 -16.883
188 HA HIS 5 HA HIS 5 0.939 -2.421 -14.360
189 HB2 HIS 5 1HB HIS 5 3.503 -3.787 -15.282
190 HB3 HIS 5 2HB HIS 5 3.032 -3.372 -13.633
191 HD1 HIS 5 HD1 HIS 5 0.355 -4.579 -13.235
192 HD2 HIS 5 HD2 HIS 5 3.296 -6.495 -15.430
193 HE1 HIS 5 HE1 HIS 5 -0.227 -7.079 -13.263
194 HE2 HIS 5 HE2 HIS 5 1.591 -8.214 -14.587
195 H LEU 6 H LEU 6 2.255 -0.565 -13.676
196 HA LEU 6 HA LEU 6 3.803 0.692 -15.929
197 HB2 LEU 6 1HB LEU 6 1.865 1.964 -13.995
198 HB3 LEU 6 2HB LEU 6 3.065 2.861 -14.858
199 HG LEU 6 HG LEU 6 1.088 3.359 -15.887
200 HD11 LEU 6 1HD1 LEU 6 2.403 1.238 -17.605
201 HD12 LEU 6 2HD1 LEU 6 2.817 2.963 -17.507
202 HD13 LEU 6 3HD1 LEU 6 1.261 2.476 -18.178
203 HD21 LEU 6 3HD2 LEU 6 0.420 0.433 -16.057
204 HD22 LEU 6 1HD2 LEU 6 -0.523 1.748 -16.783
205 HD23 LEU 6 2HD2 LEU 6 -0.350 1.650 -15.024
206 H CYS 7 H CYS 7 5.824 1.286 -15.415
207 HA CYS 7 HA CYS 7 6.434 1.999 -12.587
208 HB2 CYS 7 1HB CYS 7 8.026 0.061 -14.314
209 HB3 CYS 7 2HB CYS 7 8.601 0.755 -12.799
210 H GLY 8 H GLY 8 8.415 3.304 -12.430
211 HA2 GLY 8 1HA GLY 8 9.878 4.927 -13.166
212 HA3 GLY 8 2HA GLY 8 10.029 3.958 -14.638
213 H SER 9 H SER 9 10.114 5.556 -16.144
214 HA SER 9 HA SER 9 8.552 7.898 -16.183
215 HB2 SER 9 1HB SER 9 9.149 6.805 -18.831
216 HB3 SER 9 2HB SER 9 9.785 8.265 -18.032
217 HG SER 9 HG SER 9 11.492 6.864 -18.270
218 H HIS 10 H HIS 10 7.754 4.611 -17.254
219 HA HIS 10 HA HIS 10 5.531 5.316 -18.920
220 HB2 HIS 10 1HB HIS 10 6.645 2.896 -17.696
221 HB3 HIS 10 2HB HIS 10 4.889 2.861 -17.779
222 HD1 HIS 10 HD1 HIS 10 3.773 2.814 -20.177
223 HD2 HIS 10 HD2 HIS 10 7.965 2.752 -20.158
224 HE1 HIS 10 HE1 HIS 10 4.513 2.212 -22.538
225 HE2 HIS 10 HE2 HIS 10 7.043 2.186 -22.514
226 H LEU 11 H LEU 11 5.879 4.999 -15.411
227 HA LEU 11 HA LEU 11 3.053 4.867 -14.895
228 HB2 LEU 11 1HB LEU 11 4.847 4.123 -13.349
229 HB3 LEU 11 2HB LEU 11 5.329 5.791 -13.116
230 HG LEU 11 HG LEU 11 3.581 6.261 -11.692
231 HD11 LEU 11 1HD1 LEU 11 1.552 4.871 -11.397
232 HD12 LEU 11 2HD1 LEU 11 2.066 3.864 -12.767
233 HD13 LEU 11 3HD1 LEU 11 1.654 5.577 -13.017
234 HD21 LEU 11 3HD2 LEU 11 4.026 3.264 -11.333
235 HD22 LEU 11 1HD2 LEU 11 3.543 4.425 -10.077
236 HD23 LEU 11 2HD2 LEU 11 5.157 4.538 -10.814
237 H VAL 12 H VAL 12 5.399 7.617 -14.835
238 HA VAL 12 HA VAL 12 3.275 9.449 -14.163
239 HB VAL 12 HB VAL 12 4.881 11.261 -14.677
240 HG11 VAL 12 1HG1 VAL 12 6.456 10.745 -12.878
241 HG12 VAL 12 2HG1 VAL 12 4.850 10.117 -12.457
242 HG13 VAL 12 3HG1 VAL 12 6.118 9.005 -13.029
243 HG21 VAL 12 3HG2 VAL 12 6.087 10.194 -16.571
244 HG22 VAL 12 1HG2 VAL 12 7.190 10.766 -15.307
245 HG23 VAL 12 2HG2 VAL 12 6.817 9.036 -15.434
246 H GLU 13 H GLU 13 4.525 8.198 -17.221
247 HA GLU 13 HA GLU 13 3.253 10.108 -18.942
248 HB2 GLU 13 1HB GLU 13 4.034 7.204 -19.238
249 HB3 GLU 13 2HB GLU 13 3.202 8.064 -20.537
250 HG2 GLU 13 1HG GLU 13 5.002 9.641 -20.764
251 HG3 GLU 13 2HG GLU 13 5.803 9.027 -19.316
252 HE2 GLU 13 HE2 GLU 13 7.375 7.655 -22.219
253 H ALA 14 H ALA 14 2.102 7.086 -17.404
254 HA ALA 14 HA ALA 14 -0.467 7.121 -18.687
255 HB1 ALA 14 3HB ALA 14 0.543 5.133 -17.588
256 HB2 ALA 14 1HB ALA 14 0.352 5.929 -16.009
257 HB3 ALA 14 2HB ALA 14 -1.083 5.498 -16.967
258 H LEU 15 H LEU 15 0.809 8.520 -15.659
259 HA LEU 15 HA LEU 15 -1.728 9.371 -14.651
260 HB2 LEU 15 1HB LEU 15 1.094 10.363 -14.161
261 HB3 LEU 15 2HB LEU 15 -0.315 10.956 -13.287
262 HG LEU 15 HG LEU 15 0.562 8.060 -13.288
263 HD11 LEU 15 1HD1 LEU 15 2.215 9.527 -12.153
264 HD12 LEU 15 2HD1 LEU 15 1.391 8.407 -11.052
265 HD13 LEU 15 3HD1 LEU 15 0.913 10.118 -11.098
266 HD21 LEU 15 3HD2 LEU 15 -1.502 9.606 -11.747
267 HD22 LEU 15 1HD2 LEU 15 -0.993 7.938 -11.380
268 HD23 LEU 15 2HD2 LEU 15 -1.781 8.299 -12.916
269 H TYR 16 H TYR 16 0.576 10.921 -16.876
270 HA TYR 16 HA TYR 16 -0.701 13.492 -16.906
271 HB2 TYR 16 1HB TYR 16 0.937 11.968 -18.954
272 HB3 TYR 16 2HB TYR 16 0.181 13.512 -19.349
273 HD1 TYR 16 HD1 TYR 16 0.667 15.511 -17.665
274 HD2 TYR 16 HD2 TYR 16 3.135 12.015 -18.075
275 HE1 TYR 16 HE1 TYR 16 2.591 16.742 -16.656
276 HE2 TYR 16 HE2 TYR 16 5.050 13.249 -17.060
277 HH TYR 16 HH TYR 16 4.785 16.636 -15.997
278 H LEU 17 H LEU 17 -1.428 10.432 -18.605
279 HA LEU 17 HA LEU 17 -3.427 11.652 -20.300
280 HB2 LEU 17 1HB LEU 17 -3.125 8.781 -19.391
281 HB3 LEU 17 2HB LEU 17 -4.202 9.360 -20.645
282 HG LEU 17 HG LEU 17 -1.179 9.540 -20.792
283 HD11 LEU 17 1HD1 LEU 17 -1.313 7.583 -22.276
284 HD12 LEU 17 2HD1 LEU 17 -3.071 7.489 -22.012
285 HD13 LEU 17 3HD1 LEU 17 -1.949 7.195 -20.663
286 HD21 LEU 17 3HD2 LEU 17 -2.301 11.162 -22.244
287 HD22 LEU 17 1HD2 LEU 17 -3.342 9.883 -22.908
288 HD23 LEU 17 2HD2 LEU 17 -1.590 9.864 -23.218
289 H VAL 18 H VAL 18 -3.620 9.776 -17.255
290 HA VAL 18 HA VAL 18 -6.486 9.628 -17.292
291 HB VAL 18 HB VAL 18 -4.473 9.288 -15.008
292 HG11 VAL 18 1HG1 VAL 18 -7.436 8.546 -15.086
293 HG12 VAL 18 2HG1 VAL 18 -6.283 8.040 -13.826
294 HG13 VAL 18 3HG1 VAL 18 -6.674 9.754 -14.027
295 HG21 VAL 18 3HG2 VAL 18 -4.193 7.684 -16.825
296 HG22 VAL 18 1HG2 VAL 18 -4.889 6.877 -15.416
297 HG23 VAL 18 2HG2 VAL 18 -5.926 7.298 -16.793
298 H CYS 19 H CYS 19 -4.208 11.829 -15.668
299 HA CYS 19 HA CYS 19 -6.566 13.288 -14.603
300 HB2 CYS 19 1HB CYS 19 -3.643 13.337 -13.841
301 HB3 CYS 19 2HB CYS 19 -4.899 14.360 -13.107
302 H GLY 20 H GLY 20 -4.429 13.519 -17.264
303 HA2 GLY 20 1HA GLY 20 -4.195 15.232 -18.780
304 HA3 GLY 20 2HA GLY 20 -5.729 15.838 -18.157
305 H GLU 21 H GLU 21 -5.368 17.943 -18.236
306 HA GLU 21 HA GLU 21 -2.910 19.205 -17.517
307 HB2 GLU 21 1HB GLU 21 -5.719 20.310 -17.834
308 HB3 GLU 21 2HB GLU 21 -4.255 21.293 -17.706
309 HG2 GLU 21 1HG GLU 21 -3.378 20.245 -19.774
310 HG3 GLU 21 2HG GLU 21 -4.871 19.306 -19.923
311 HE2 GLU 21 HE2 GLU 21 -4.855 22.518 -21.744
312 H ARG 22 H ARG 22 -5.293 17.970 -15.332
313 HA ARG 22 HA ARG 22 -5.115 20.196 -13.473
314 HB2 ARG 22 1HB ARG 22 -6.620 19.095 -12.180
315 HB3 ARG 22 2HB ARG 22 -6.954 18.339 -13.737
316 HG2 ARG 22 1HG ARG 22 -5.317 16.485 -12.970
317 HG3 ARG 22 2HG ARG 22 -5.457 17.212 -11.358
318 HD2 ARG 22 1HD ARG 22 -7.087 15.531 -11.384
319 HD3 ARG 22 2HD ARG 22 -7.992 17.030 -11.693
320 HE ARG 22 HE ARG 22 -7.172 15.926 -14.177
321 HH11 ARG 22 1HH1 ARG 22 -9.466 15.174 -11.592
322 HH12 ARG 22 2HH1 ARG 22 -10.517 14.285 -12.659
323 HH21 ARG 22 1HH2 ARG 22 -8.547 14.768 -15.463
324 HH22 ARG 22 2HH2 ARG 22 -10.000 14.057 -14.819
325 H GLY 23 H GLY 23 -2.982 17.697 -14.298
326 HA2 GLY 23 1HA GLY 23 -0.844 17.359 -13.446
327 HA3 GLY 23 2HA GLY 23 -1.209 18.456 -12.105
328 H PHE 24 H PHE 24 0.189 16.430 -11.321
329 HA PHE 24 HA PHE 24 -1.568 14.851 -9.633
330 HB2 PHE 24 1HB PHE 24 -0.830 12.666 -10.449
331 HB3 PHE 24 2HB PHE 24 -1.695 13.540 -11.713
332 HD1 PHE 24 HD2 PHE 24 1.631 12.423 -10.574
333 HD2 PHE 24 HD1 PHE 24 -0.643 14.177 -13.757
334 HE1 PHE 24 HE2 PHE 24 3.525 12.067 -12.093
335 HE2 PHE 24 HE1 PHE 24 1.258 13.822 -15.304
336 HZ PHE 24 HZ PHE 24 3.364 12.780 -14.491
337 H PHE 25 H PHE 25 0.001 13.176 -8.464
338 HA PHE 25 HA PHE 25 2.724 14.371 -8.165
339 HB2 PHE 25 1HB PHE 25 2.539 13.904 -5.706
340 HB3 PHE 25 2HB PHE 25 1.491 15.213 -6.263
341 HD1 PHE 25 HD2 PHE 25 1.500 11.604 -5.258
342 HD2 PHE 25 HD1 PHE 25 -0.865 15.133 -5.964
343 HE1 PHE 25 HE2 PHE 25 -0.480 10.477 -4.249
344 HE2 PHE 25 HE1 PHE 25 -2.845 14.013 -4.942
345 HZ PHE 25 HZ PHE 25 -2.659 11.679 -4.098
346 H TYR 26 H TYR 26 4.167 12.664 -7.060
347 HA TYR 26 HA TYR 26 3.227 9.911 -7.660
348 HB2 TYR 26 1HB TYR 26 4.301 10.605 -9.715
349 HB3 TYR 26 2HB TYR 26 5.684 11.264 -8.828
350 HD1 TYR 26 HD2 TYR 26 3.833 7.958 -8.847
351 HD2 TYR 26 HD1 TYR 26 7.625 9.988 -9.045
352 HE1 TYR 26 HE2 TYR 26 5.010 5.774 -8.905
353 HE2 TYR 26 HE1 TYR 26 8.787 7.783 -9.167
354 HH TYR 26 HH TYR 26 7.000 4.693 -9.031
355 H THR 27 H THR 27 4.146 8.344 -6.419
356 HA THR 27 HA THR 27 5.888 9.287 -4.198
357 HB THR 27 HB THR 27 5.120 7.194 -3.047
358 HG1 THR 27 HG1 THR 27 4.600 6.136 -5.099
359 HG21 THR 27 1HG2 THR 27 2.871 7.961 -2.551
360 HG22 THR 27 2HG2 THR 27 2.797 8.884 -4.065
361 HG23 THR 27 3HG2 THR 27 3.912 9.387 -2.771
362 HA PRO 28 HA PRO 28 8.685 6.665 -6.660
363 HB2 PRO 28 1HB PRO 28 11.051 7.818 -5.983
364 HB3 PRO 28 2HB PRO 28 9.937 8.585 -7.163
365 HG2 PRO 28 1HG PRO 28 10.253 9.139 -4.231
366 HG3 PRO 28 2HG PRO 28 10.251 10.291 -5.601
367 HD2 PRO 28 1HD PRO 28 8.040 9.810 -4.096
368 HD3 PRO 28 2HD PRO 28 7.936 10.158 -5.854
369 H LYS 29 H LYS 29 10.521 5.216 -5.976
370 HA LYS 29 HA LYS 29 10.054 4.226 -3.233
371 HB2 LYS 29 1HB LYS 29 11.935 3.241 -5.420
372 HB3 LYS 29 2HB LYS 29 11.670 2.455 -3.857
373 HG2 LYS 29 1HG LYS 29 9.201 2.289 -4.539
374 HG3 LYS 29 2HG LYS 29 9.742 2.707 -6.174
375 HD2 LYS 29 1HD LYS 29 10.754 0.332 -4.528
376 HD3 LYS 29 2HD LYS 29 9.533 0.245 -5.804
377 HE2 LYS 29 1HE LYS 29 11.365 -0.367 -7.038
378 HE3 LYS 29 2HE LYS 29 11.456 1.386 -7.270
379 HZ1 LYS 29 3HZ LYS 29 13.119 1.457 -5.481
380 HZ2 LYS 29 1HZ LYS 29 13.613 0.440 -6.683
381 HZ3 LYS 29 2HZ LYS 29 13.021 -0.176 -5.274
382 H THR 30 H THR 30 10.888 5.907 -1.958
383 HA THR 30 HA THR 30 13.539 6.981 -2.428
384 HB THR 30 HB THR 30 13.106 8.088 -0.174
385 HG1 THR 30 HG1 THR 30 11.839 6.438 0.724
386 HG21 THR 30 1HG2 THR 30 10.725 8.217 -2.141
387 HG22 THR 30 2HG2 THR 30 12.248 9.108 -2.355
388 HG23 THR 30 3HG2 THR 30 11.199 9.460 -0.973
389 HXT THR 30 H02 THR 30 14.425 5.117 -2.548
Start of MODEL 6
1 H1 GLY 1 3H0 GLY 1 2.684 -0.509 -1.121
2 H2 GLY 1 2H0 GLY 1 2.499 0.208 0.354
3 H3 GLY 1 1H0 GLY 1 1.198 0.019 -0.643
4 HA2 GLY 1 1HA GLY 1 1.941 2.301 -0.650
5 HA3 GLY 1 2HA GLY 1 3.533 1.734 -1.185
6 H ILE 2 H ILE 2 1.145 3.413 -2.389
7 HA ILE 2 HA ILE 2 -0.089 1.880 -4.355
8 HB ILE 2 HB ILE 2 -0.757 4.144 -3.487
9 HG12 ILE 2 1HG1 ILE 2 -0.757 3.874 -6.506
10 HG13 ILE 2 2HG1 ILE 2 -1.790 2.946 -5.419
11 HG21 ILE 2 1HG2 ILE 2 1.478 5.284 -3.843
12 HG22 ILE 2 2HG2 ILE 2 1.154 5.272 -5.592
13 HG23 ILE 2 3HG2 ILE 2 0.100 6.186 -4.498
14 HD11 ILE 2 3HD1 ILE 2 -2.806 5.093 -4.595
15 HD12 ILE 2 1HD1 ILE 2 -1.837 5.975 -5.806
16 HD13 ILE 2 2HD1 ILE 2 -3.064 4.804 -6.333
17 H VAL 3 H VAL 3 3.038 3.584 -4.695
18 HA VAL 3 HA VAL 3 3.202 3.217 -7.507
19 HB VAL 3 HB VAL 3 4.657 4.806 -6.404
20 HG11 VAL 3 1HG1 VAL 3 4.945 3.679 -4.223
21 HG12 VAL 3 2HG1 VAL 3 6.007 2.465 -4.989
22 HG13 VAL 3 3HG1 VAL 3 6.500 4.168 -4.917
23 HG21 VAL 3 3HG2 VAL 3 5.470 3.733 -8.497
24 HG22 VAL 3 1HG2 VAL 3 6.790 4.271 -7.441
25 HG23 VAL 3 2HG2 VAL 3 6.368 2.546 -7.525
26 H GLU 4 H GLU 4 4.093 1.017 -4.827
27 HA GLU 4 HA GLU 4 5.396 -0.875 -6.530
28 HB2 GLU 4 1HB GLU 4 5.601 -0.700 -4.023
29 HB3 GLU 4 2HB GLU 4 3.970 -1.367 -3.889
30 HG2 GLU 4 1HG GLU 4 5.533 -3.142 -3.550
31 HG3 GLU 4 2HG GLU 4 4.759 -3.390 -5.118
32 HE2 GLU 4 HE2 GLU 4 6.300 -4.520 -5.822
33 H GLN 5 H GLN 5 2.044 -0.381 -5.459
34 HA GLN 5 HA GLN 5 1.012 -2.877 -6.364
35 HB2 GLN 5 1HB GLN 5 -0.289 -0.154 -6.033
36 HB3 GLN 5 2HB GLN 5 -1.187 -1.634 -6.378
37 HG2 GLN 5 1HG GLN 5 -0.811 -2.528 -4.265
38 HG3 GLN 5 2HG GLN 5 0.672 -1.600 -4.011
39 HE21 GLN 5 2HE2 GLN 5 -2.678 -0.632 -4.851
40 HE22 GLN 5 1HE2 GLN 5 -2.843 0.482 -3.517
41 H CYS 6 H CYS 6 1.354 0.296 -8.040
42 HA CYS 6 HA CYS 6 0.168 -0.788 -10.469
43 HB2 CYS 6 1HB CYS 6 1.811 1.735 -10.078
44 HB3 CYS 6 2HB CYS 6 0.782 1.350 -11.464
45 H CYS 7 H CYS 7 3.376 -0.702 -9.115
46 HA CYS 7 HA CYS 7 4.766 -1.041 -11.623
47 HB2 CYS 7 1HB CYS 7 5.759 -0.185 -9.459
48 HB3 CYS 7 2HB CYS 7 5.658 -1.829 -8.825
49 H THR 8 H THR 8 3.785 -3.290 -8.979
50 HA THR 8 HA THR 8 4.760 -5.554 -10.575
51 HB THR 8 HB THR 8 5.071 -5.328 -8.048
52 HG1 THR 8 HG1 THR 8 3.920 -7.633 -9.254
53 HG21 THR 8 1HG2 THR 8 2.622 -4.746 -7.592
54 HG22 THR 8 2HG2 THR 8 3.323 -6.024 -6.577
55 HG23 THR 8 3HG2 THR 8 2.252 -6.453 -7.925
56 H SER 9 H SER 9 1.680 -4.008 -10.018
57 HA SER 9 HA SER 9 0.443 -6.198 -11.611
58 HB2 SER 9 1HB SER 9 -0.785 -4.864 -9.125
59 HB3 SER 9 2HB SER 9 -1.616 -6.021 -10.186
60 HG SER 9 HG SER 9 -0.723 -7.039 -8.342
61 H ILE 10 H ILE 10 -2.114 -5.095 -11.908
62 HA ILE 10 HA ILE 10 -1.251 -2.780 -13.569
63 HB ILE 10 HB ILE 10 -3.526 -4.732 -14.054
64 HG12 ILE 10 1HG1 ILE 10 -0.730 -4.413 -15.210
65 HG13 ILE 10 2HG1 ILE 10 -1.327 -5.765 -14.251
66 HG21 ILE 10 1HG2 ILE 10 -2.387 -2.490 -15.798
67 HG22 ILE 10 2HG2 ILE 10 -3.684 -3.617 -16.252
68 HG23 ILE 10 3HG2 ILE 10 -3.955 -2.444 -14.966
69 HD11 ILE 10 3HD1 ILE 10 -2.004 -5.075 -17.083
70 HD12 ILE 10 1HD1 ILE 10 -1.180 -6.511 -16.450
71 HD13 ILE 10 2HD1 ILE 10 -2.917 -6.271 -16.125
72 H CYS 11 H CYS 11 -1.718 -0.934 -12.640
73 HA CYS 11 HA CYS 11 -4.229 -0.545 -11.162
74 HB2 CYS 11 1HB CYS 11 -1.984 1.312 -12.034
75 HB3 CYS 11 2HB CYS 11 -3.447 1.876 -11.216
76 H SER 12 H SER 12 -6.078 -0.242 -12.205
77 HA SER 12 HA SER 12 -6.189 0.452 -15.039
78 HB2 SER 12 1HB SER 12 -8.638 0.527 -14.612
79 HB3 SER 12 2HB SER 12 -7.913 -0.966 -13.977
80 HG SER 12 HG SER 12 -9.130 -0.230 -12.333
81 H LEU 13 H LEU 13 -7.552 2.471 -15.654
82 HA LEU 13 HA LEU 13 -6.210 4.769 -14.751
83 HB2 LEU 13 1HB LEU 13 -7.748 6.043 -16.030
84 HB3 LEU 13 2HB LEU 13 -7.417 4.551 -16.890
85 HG LEU 13 HG LEU 13 -9.724 3.870 -15.581
86 HD11 LEU 13 1HD1 LEU 13 -9.926 6.831 -16.299
87 HD12 LEU 13 2HD1 LEU 13 -10.044 6.135 -14.664
88 HD13 LEU 13 3HD1 LEU 13 -11.290 5.772 -15.870
89 HD21 LEU 13 3HD2 LEU 13 -9.461 5.259 -18.271
90 HD22 LEU 13 1HD2 LEU 13 -10.828 4.248 -17.743
91 HD23 LEU 13 2HD2 LEU 13 -9.223 3.521 -17.950
92 H TYR 14 H TYR 14 -9.149 3.273 -13.482
93 HA TYR 14 HA TYR 14 -10.032 5.465 -11.910
94 HB2 TYR 14 1HB TYR 14 -10.311 2.533 -11.229
95 HB3 TYR 14 2HB TYR 14 -11.414 3.849 -10.819
96 HD1 TYR 14 HD1 TYR 14 -12.500 5.114 -12.899
97 HD2 TYR 14 HD2 TYR 14 -10.694 1.213 -13.128
98 HE1 TYR 14 HE1 TYR 14 -13.727 4.661 -15.027
99 HE2 TYR 14 HE2 TYR 14 -11.913 0.779 -15.265
100 HH TYR 14 HH TYR 14 -14.148 3.152 -16.702
101 H GLN 15 H GLN 15 -7.703 2.865 -11.273
102 HA GLN 15 HA GLN 15 -7.290 3.578 -8.481
103 HB2 GLN 15 1HB GLN 15 -5.564 2.002 -10.415
104 HB3 GLN 15 2HB GLN 15 -5.321 2.123 -8.667
105 HG2 GLN 15 1HG GLN 15 -7.922 1.340 -8.752
106 HG3 GLN 15 2HG GLN 15 -7.313 0.561 -10.222
107 HE21 GLN 15 2HE2 GLN 15 -7.843 0.143 -7.019
108 HE22 GLN 15 1HE2 GLN 15 -6.630 -1.057 -6.673
109 H LEU 16 H LEU 16 -5.794 4.359 -11.605
110 HA LEU 16 HA LEU 16 -3.529 5.746 -10.562
111 HB2 LEU 16 1HB LEU 16 -4.983 5.943 -13.202
112 HB3 LEU 16 2HB LEU 16 -3.496 6.814 -12.852
113 HG LEU 16 HG LEU 16 -3.754 3.790 -12.736
114 HD11 LEU 16 1HD1 LEU 16 -2.584 5.526 -14.935
115 HD12 LEU 16 2HD1 LEU 16 -4.134 4.655 -15.015
116 HD13 LEU 16 3HD1 LEU 16 -2.629 3.747 -14.882
117 HD21 LEU 16 3HD2 LEU 16 -1.329 5.635 -12.715
118 HD22 LEU 16 1HD2 LEU 16 -1.266 3.861 -12.842
119 HD23 LEU 16 2HD2 LEU 16 -1.902 4.617 -11.373
120 H GLU 17 H GLU 17 -6.872 6.820 -11.110
121 HA GLU 17 HA GLU 17 -6.466 9.617 -11.000
122 HB2 GLU 17 1HB GLU 17 -8.712 7.871 -9.957
123 HB3 GLU 17 2HB GLU 17 -8.768 9.633 -9.889
124 HG2 GLU 17 1HG GLU 17 -8.660 9.797 -12.301
125 HG3 GLU 17 2HG GLU 17 -8.427 8.055 -12.446
126 HE2 GLU 17 HE2 GLU 17 -12.000 9.367 -11.359
127 H ASN 18 H ASN 18 -6.172 7.267 -8.379
128 HA ASN 18 HA ASN 18 -6.510 9.055 -6.186
129 HB2 ASN 18 1HB ASN 18 -4.919 6.504 -6.509
130 HB3 ASN 18 2HB ASN 18 -4.987 7.394 -4.983
131 HD21 ASN 18 2HD2 ASN 18 -6.583 5.202 -7.054
132 HD22 ASN 18 1HD2 ASN 18 -8.045 5.038 -6.099
133 H TYR 19 H TYR 19 -3.771 8.596 -8.362
134 HA TYR 19 HA TYR 19 -1.736 9.798 -6.694
135 HB2 TYR 19 1HB TYR 19 -2.108 9.414 -9.661
136 HB3 TYR 19 2HB TYR 19 -0.684 10.214 -9.034
137 HD1 TYR 19 HD2 TYR 19 -2.514 6.950 -9.066
138 HD2 TYR 19 HD1 TYR 19 1.142 8.998 -8.102
139 HE1 TYR 19 HE2 TYR 19 -1.363 4.762 -8.821
140 HE2 TYR 19 HE1 TYR 19 2.292 6.804 -7.860
141 HH TYR 19 HH TYR 19 2.122 4.553 -8.061
142 H CYS 20 H CYS 20 -4.441 11.071 -8.424
143 HA CYS 20 HA CYS 20 -3.507 13.844 -7.884
144 HB2 CYS 20 1HB CYS 20 -4.595 14.448 -10.095
145 HB3 CYS 20 2HB CYS 20 -3.065 13.580 -10.185
146 H ASN 21 H ASN 21 -5.058 12.260 -6.255
147 HA ASN 21 HA ASN 21 -7.873 12.426 -6.722
148 HB2 ASN 21 1HB ASN 21 -6.755 10.968 -4.951
149 HB3 ASN 21 2HB ASN 21 -6.510 12.422 -3.980
150 HD21 ASN 21 2HD2 ASN 21 -7.978 12.527 -2.402
151 HD22 ASN 21 1HD2 ASN 21 -9.665 12.131 -2.588
152 HXT ASN 21 H02 ASN 21 -5.841 14.448 -5.176
153 H1 PHE 1 3H0 PHE 1 -8.965 3.240 -22.419
154 H2 PHE 1 2H0 PHE 1 -8.308 2.353 -23.646
155 H3 PHE 1 1H0 PHE 1 -9.189 1.605 -22.470
156 HA PHE 1 HA PHE 1 -6.595 2.953 -22.092
157 HB2 PHE 1 1HB PHE 1 -8.356 3.025 -20.205
158 HB3 PHE 1 2HB PHE 1 -8.132 1.276 -20.078
159 HD1 PHE 1 HD2 PHE 1 -6.429 4.583 -19.763
160 HD2 PHE 1 HD1 PHE 1 -6.209 0.356 -18.941
161 HE1 PHE 1 HE2 PHE 1 -4.461 4.977 -18.292
162 HE2 PHE 1 HE1 PHE 1 -4.234 0.747 -17.471
163 HZ PHE 1 HZ PHE 1 -3.353 3.061 -17.156
164 H VAL 2 H VAL 2 -4.801 1.443 -21.710
165 HA VAL 2 HA VAL 2 -5.415 -1.328 -22.667
166 HB VAL 2 HB VAL 2 -2.880 0.318 -23.181
167 HG11 VAL 2 1HG1 VAL 2 -3.658 -2.498 -24.089
168 HG12 VAL 2 2HG1 VAL 2 -2.213 -1.605 -24.621
169 HG13 VAL 2 3HG1 VAL 2 -2.378 -2.084 -22.920
170 HG21 VAL 2 3HG2 VAL 2 -4.696 1.117 -24.611
171 HG22 VAL 2 1HG2 VAL 2 -3.569 0.164 -25.590
172 HG23 VAL 2 2HG2 VAL 2 -5.115 -0.549 -25.075
173 H ASN 3 H ASN 3 -4.912 -2.845 -21.191
174 HA ASN 3 HA ASN 3 -3.824 -2.048 -18.636
175 HB2 ASN 3 1HB ASN 3 -4.415 -4.754 -19.882
176 HB3 ASN 3 2HB ASN 3 -3.735 -4.563 -18.262
177 HD21 ASN 3 2HD2 ASN 3 -6.290 -5.738 -19.020
178 HD22 ASN 3 1HD2 ASN 3 -7.515 -4.790 -18.213
179 H GLN 4 H GLN 4 -1.810 -1.997 -17.944
180 HA GLN 4 HA GLN 4 0.178 -3.865 -18.907
181 HB2 GLN 4 1HB GLN 4 1.792 -2.125 -19.614
182 HB3 GLN 4 2HB GLN 4 0.379 -2.156 -20.673
183 HG2 GLN 4 1HG GLN 4 -0.561 -0.210 -19.385
184 HG3 GLN 4 2HG GLN 4 0.959 -0.140 -18.485
185 HE21 GLN 4 2HE2 GLN 4 -0.593 0.317 -21.584
186 HE22 GLN 4 1HE2 GLN 4 0.692 1.263 -22.299
187 H HIS 5 H HIS 5 1.842 -3.940 -17.351
188 HA HIS 5 HA HIS 5 1.330 -2.742 -14.741
189 HB2 HIS 5 1HB HIS 5 3.850 -4.019 -15.900
190 HB3 HIS 5 2HB HIS 5 3.644 -3.525 -14.216
191 HD1 HIS 5 HD1 HIS 5 1.083 -4.624 -13.308
192 HD2 HIS 5 HD2 HIS 5 3.469 -6.728 -15.930
193 HE1 HIS 5 HE1 HIS 5 0.367 -7.085 -13.197
194 HE2 HIS 5 HE2 HIS 5 1.870 -8.335 -14.774
195 H LEU 6 H LEU 6 2.296 -0.892 -13.848
196 HA LEU 6 HA LEU 6 3.633 0.892 -15.862
197 HB2 LEU 6 1HB LEU 6 1.461 1.487 -13.833
198 HB3 LEU 6 2HB LEU 6 2.378 2.733 -14.668
199 HG LEU 6 HG LEU 6 0.694 0.673 -16.112
200 HD11 LEU 6 1HD1 LEU 6 -0.977 2.462 -16.329
201 HD12 LEU 6 2HD1 LEU 6 -0.003 3.495 -15.255
202 HD13 LEU 6 3HD1 LEU 6 -0.723 1.987 -14.641
203 HD21 LEU 6 3HD2 LEU 6 1.958 3.303 -16.972
204 HD22 LEU 6 1HD2 LEU 6 0.801 2.375 -17.949
205 HD23 LEU 6 2HD2 LEU 6 2.376 1.669 -17.550
206 H CYS 7 H CYS 7 5.681 0.975 -15.198
207 HA CYS 7 HA CYS 7 6.156 1.895 -12.410
208 HB2 CYS 7 1HB CYS 7 6.505 -0.689 -12.952
209 HB3 CYS 7 2HB CYS 7 8.011 -0.112 -13.674
210 H GLY 8 H GLY 8 8.258 3.007 -12.228
211 HA2 GLY 8 1HA GLY 8 9.842 4.492 -13.029
212 HA3 GLY 8 2HA GLY 8 9.903 3.502 -14.500
213 H SER 9 H SER 9 9.993 5.166 -15.981
214 HA SER 9 HA SER 9 8.428 7.501 -15.938
215 HB2 SER 9 1HB SER 9 8.977 6.571 -18.631
216 HB3 SER 9 2HB SER 9 9.708 7.919 -17.728
217 HG SER 9 HG SER 9 11.311 6.417 -18.151
218 H HIS 10 H HIS 10 7.530 4.240 -17.041
219 HA HIS 10 HA HIS 10 5.372 5.026 -18.745
220 HB2 HIS 10 1HB HIS 10 6.110 2.545 -17.251
221 HB3 HIS 10 2HB HIS 10 4.428 2.712 -17.742
222 HD1 HIS 10 HD1 HIS 10 3.891 1.752 -19.999
223 HD2 HIS 10 HD2 HIS 10 7.890 3.017 -19.688
224 HE1 HIS 10 HE1 HIS 10 5.021 1.207 -22.205
225 HE2 HIS 10 HE2 HIS 10 7.424 1.985 -22.014
226 H LEU 11 H LEU 11 5.554 4.630 -15.206
227 HA LEU 11 HA LEU 11 2.717 4.827 -14.782
228 HB2 LEU 11 1HB LEU 11 4.336 3.966 -13.107
229 HB3 LEU 11 2HB LEU 11 5.050 5.569 -12.978
230 HG LEU 11 HG LEU 11 2.940 6.443 -12.033
231 HD11 LEU 11 1HD1 LEU 11 2.040 3.537 -12.160
232 HD12 LEU 11 2HD1 LEU 11 1.301 4.923 -13.003
233 HD13 LEU 11 3HD1 LEU 11 1.223 4.820 -11.236
234 HD21 LEU 11 3HD2 LEU 11 4.020 3.978 -10.610
235 HD22 LEU 11 1HD2 LEU 11 3.186 5.360 -9.859
236 HD23 LEU 11 2HD2 LEU 11 4.777 5.592 -10.608
237 H VAL 12 H VAL 12 5.369 7.206 -14.842
238 HA VAL 12 HA VAL 12 3.771 9.455 -14.112
239 HB VAL 12 HB VAL 12 6.333 9.347 -15.783
240 HG11 VAL 12 1HG1 VAL 12 5.171 11.615 -14.131
241 HG12 VAL 12 2HG1 VAL 12 6.713 11.640 -15.015
242 HG13 VAL 12 3HG1 VAL 12 5.182 11.526 -15.905
243 HG21 VAL 12 3HG2 VAL 12 7.474 9.793 -13.588
244 HG22 VAL 12 1HG2 VAL 12 5.916 9.532 -12.767
245 HG23 VAL 12 2HG2 VAL 12 6.694 8.203 -13.663
246 H GLU 13 H GLU 13 4.710 8.088 -17.287
247 HA GLU 13 HA GLU 13 3.500 10.128 -18.885
248 HB2 GLU 13 1HB GLU 13 4.099 7.196 -19.387
249 HB3 GLU 13 2HB GLU 13 3.479 8.278 -20.640
250 HG2 GLU 13 1HG GLU 13 5.447 9.650 -20.553
251 HG3 GLU 13 2HG GLU 13 6.042 8.822 -19.112
252 HE2 GLU 13 HE2 GLU 13 7.041 7.534 -22.570
253 H ALA 14 H ALA 14 2.225 7.160 -17.402
254 HA ALA 14 HA ALA 14 -0.286 7.237 -18.822
255 HB1 ALA 14 3HB ALA 14 0.455 5.953 -16.161
256 HB2 ALA 14 1HB ALA 14 -1.011 5.609 -17.111
257 HB3 ALA 14 2HB ALA 14 0.590 5.192 -17.765
258 H LEU 15 H LEU 15 0.889 8.584 -15.742
259 HA LEU 15 HA LEU 15 -1.681 9.346 -14.774
260 HB2 LEU 15 1HB LEU 15 1.128 10.272 -14.184
261 HB3 LEU 15 2HB LEU 15 -0.270 11.015 -13.415
262 HG LEU 15 HG LEU 15 0.392 8.069 -13.211
263 HD11 LEU 15 1HD1 LEU 15 0.791 10.245 -11.154
264 HD12 LEU 15 2HD1 LEU 15 2.089 9.503 -12.119
265 HD13 LEU 15 3HD1 LEU 15 1.159 8.514 -10.977
266 HD21 LEU 15 3HD2 LEU 15 -1.964 8.502 -12.962
267 HD22 LEU 15 1HD2 LEU 15 -1.625 9.811 -11.814
268 HD23 LEU 15 2HD2 LEU 15 -1.254 8.122 -11.396
269 H TYR 16 H TYR 16 0.513 10.986 -17.036
270 HA TYR 16 HA TYR 16 -0.755 13.554 -16.900
271 HB2 TYR 16 1HB TYR 16 0.691 12.074 -19.115
272 HB3 TYR 16 2HB TYR 16 -0.077 13.637 -19.403
273 HD1 TYR 16 HD1 TYR 16 0.619 15.646 -17.949
274 HD2 TYR 16 HD2 TYR 16 2.887 12.000 -18.160
275 HE1 TYR 16 HE1 TYR 16 2.630 16.838 -17.079
276 HE2 TYR 16 HE2 TYR 16 4.902 13.209 -17.317
277 HH TYR 16 HH TYR 16 4.829 16.668 -16.471
278 H LEU 17 H LEU 17 -1.580 10.577 -18.665
279 HA LEU 17 HA LEU 17 -3.700 11.810 -20.185
280 HB2 LEU 17 1HB LEU 17 -3.307 8.908 -19.399
281 HB3 LEU 17 2HB LEU 17 -4.389 9.514 -20.639
282 HG LEU 17 HG LEU 17 -1.362 9.744 -20.741
283 HD11 LEU 17 1HD1 LEU 17 -3.211 7.734 -22.084
284 HD12 LEU 17 2HD1 LEU 17 -2.099 7.392 -20.735
285 HD13 LEU 17 3HD1 LEU 17 -1.452 7.864 -22.320
286 HD21 LEU 17 3HD2 LEU 17 -3.498 10.165 -22.873
287 HD22 LEU 17 1HD2 LEU 17 -1.742 10.182 -23.155
288 HD23 LEU 17 2HD2 LEU 17 -2.485 11.425 -22.130
289 H VAL 18 H VAL 18 -3.604 9.891 -17.178
290 HA VAL 18 HA VAL 18 -6.490 9.708 -17.027
291 HB VAL 18 HB VAL 18 -4.325 9.146 -14.943
292 HG11 VAL 18 1HG1 VAL 18 -6.457 9.484 -13.819
293 HG12 VAL 18 2HG1 VAL 18 -7.283 8.414 -14.977
294 HG13 VAL 18 3HG1 VAL 18 -6.082 7.759 -13.844
295 HG21 VAL 18 3HG2 VAL 18 -4.094 7.725 -16.913
296 HG22 VAL 18 1HG2 VAL 18 -4.763 6.770 -15.586
297 HG23 VAL 18 2HG2 VAL 18 -5.828 7.340 -16.886
298 H CYS 19 H CYS 19 -4.028 11.736 -15.423
299 HA CYS 19 HA CYS 19 -6.082 13.002 -13.768
300 HB2 CYS 19 1HB CYS 19 -3.171 13.715 -14.238
301 HB3 CYS 19 2HB CYS 19 -4.209 14.363 -12.955
302 H GLY 20 H GLY 20 -4.835 13.399 -16.963
303 HA2 GLY 20 1HA GLY 20 -5.410 14.943 -18.565
304 HA3 GLY 20 2HA GLY 20 -6.620 15.593 -17.445
305 H GLU 21 H GLU 21 -6.075 17.672 -18.272
306 HA GLU 21 HA GLU 21 -3.455 18.800 -18.054
307 HB2 GLU 21 1HB GLU 21 -6.197 20.095 -18.209
308 HB3 GLU 21 2HB GLU 21 -4.665 20.967 -18.350
309 HG2 GLU 21 1HG GLU 21 -4.082 19.584 -20.332
310 HG3 GLU 21 2HG GLU 21 -5.662 18.795 -20.226
311 HE2 GLU 21 HE2 GLU 21 -4.260 20.587 -21.996
312 H ARG 22 H ARG 22 -5.552 17.966 -15.531
313 HA ARG 22 HA ARG 22 -5.164 20.213 -13.767
314 HB2 ARG 22 1HB ARG 22 -5.595 17.300 -13.121
315 HB3 ARG 22 2HB ARG 22 -5.732 18.636 -11.979
316 HG2 ARG 22 1HG ARG 22 -7.609 19.573 -13.348
317 HG3 ARG 22 2HG ARG 22 -7.528 18.116 -14.369
318 HD2 ARG 22 1HD ARG 22 -8.039 18.210 -11.380
319 HD3 ARG 22 2HD ARG 22 -9.234 17.819 -12.639
320 HE ARG 22 HE ARG 22 -7.366 15.984 -13.186
321 HH11 ARG 22 1HH1 ARG 22 -8.545 16.907 -9.967
322 HH12 ARG 22 2HH1 ARG 22 -8.172 15.340 -9.292
323 HH21 ARG 22 1HH2 ARG 22 -7.004 14.009 -12.241
324 HH22 ARG 22 2HH2 ARG 22 -7.320 13.755 -10.542
325 H GLY 23 H GLY 23 -3.188 17.496 -14.730
326 HA2 GLY 23 1HA GLY 23 -0.927 17.148 -14.241
327 HA3 GLY 23 2HA GLY 23 -0.973 18.487 -13.076
328 H PHE 24 H PHE 24 0.374 16.626 -12.026
329 HA PHE 24 HA PHE 24 -1.238 15.401 -9.935
330 HB2 PHE 24 1HB PHE 24 -0.541 13.093 -10.422
331 HB3 PHE 24 2HB PHE 24 -1.537 13.734 -11.727
332 HD1 PHE 24 HD1 PHE 24 -0.586 14.310 -13.904
333 HD2 PHE 24 HD2 PHE 24 1.793 12.553 -10.797
334 HE1 PHE 24 HE1 PHE 24 1.170 13.763 -15.557
335 HE2 PHE 24 HE2 PHE 24 3.547 11.978 -12.450
336 HZ PHE 24 HZ PHE 24 3.240 12.603 -14.852
337 H PHE 25 H PHE 25 0.536 13.896 -8.696
338 HA PHE 25 HA PHE 25 3.211 15.168 -8.977
339 HB2 PHE 25 1HB PHE 25 3.441 15.476 -6.623
340 HB3 PHE 25 2HB PHE 25 1.919 16.246 -7.083
341 HD1 PHE 25 HD2 PHE 25 -0.268 15.084 -6.545
342 HD2 PHE 25 HD1 PHE 25 3.518 13.663 -5.071
343 HE1 PHE 25 HE2 PHE 25 -1.452 13.699 -4.851
344 HE2 PHE 25 HE1 PHE 25 2.342 12.285 -3.364
345 HZ PHE 25 HZ PHE 25 -0.150 12.300 -3.250
346 H TYR 26 H TYR 26 4.847 13.819 -7.725
347 HA TYR 26 HA TYR 26 4.045 10.951 -7.608
348 HB2 TYR 26 1HB TYR 26 5.193 11.310 -9.760
349 HB3 TYR 26 2HB TYR 26 6.540 12.098 -8.925
350 HD1 TYR 26 HD1 TYR 26 4.637 8.838 -8.999
351 HD2 TYR 26 HD2 TYR 26 8.393 10.804 -8.239
352 HE1 TYR 26 HE1 TYR 26 5.734 6.625 -8.631
353 HE2 TYR 26 HE2 TYR 26 9.479 8.588 -7.905
354 HH TYR 26 HH TYR 26 9.215 6.337 -7.869
355 H THR 27 H THR 27 5.231 9.791 -6.050
356 HA THR 27 HA THR 27 6.610 11.524 -4.049
357 HB THR 27 HB THR 27 4.736 10.853 -2.891
358 HG1 THR 27 HG1 THR 27 6.592 8.709 -2.623
359 HG21 THR 27 1HG2 THR 27 4.860 8.297 -4.513
360 HG22 THR 27 2HG2 THR 27 3.609 9.568 -4.545
361 HG23 THR 27 3HG2 THR 27 3.771 8.520 -3.122
362 HA PRO 28 HA PRO 28 9.779 8.517 -5.434
363 HB2 PRO 28 1HB PRO 28 11.920 10.186 -5.335
364 HB3 PRO 28 2HB PRO 28 10.724 10.282 -6.668
365 HG2 PRO 28 1HG PRO 28 10.917 11.941 -4.171
366 HG3 PRO 28 2HG PRO 28 10.727 12.476 -5.871
367 HD2 PRO 28 1HD PRO 28 8.623 12.231 -4.134
368 HD3 PRO 28 2HD PRO 28 8.443 11.937 -5.895
369 H LYS 29 H LYS 29 11.853 7.801 -4.307
370 HA LYS 29 HA LYS 29 11.731 8.395 -1.379
371 HB2 LYS 29 1HB LYS 29 12.627 6.094 -1.014
372 HB3 LYS 29 2HB LYS 29 10.969 6.157 -1.605
373 HG2 LYS 29 1HG LYS 29 11.695 5.506 -3.861
374 HG3 LYS 29 2HG LYS 29 13.386 5.533 -3.339
375 HD2 LYS 29 1HD LYS 29 12.783 3.798 -1.593
376 HD3 LYS 29 2HD LYS 29 11.206 3.655 -2.394
377 HE2 LYS 29 1HE LYS 29 12.641 1.912 -3.259
378 HE3 LYS 29 2HE LYS 29 12.427 3.123 -4.542
379 HZ1 LYS 29 3HZ LYS 29 14.790 2.897 -2.751
380 HZ2 LYS 29 1HZ LYS 29 14.596 4.055 -3.908
381 HZ3 LYS 29 2HZ LYS 29 14.745 2.470 -4.343
382 H THR 30 H THR 30 13.231 9.943 -1.253
383 HA THR 30 HA THR 30 15.799 9.683 -2.664
384 HB THR 30 HB THR 30 16.130 11.934 -1.308
385 HG1 THR 30 HG1 THR 30 14.075 12.815 -0.749
386 HG21 THR 30 1HG2 THR 30 13.926 11.707 -3.460
387 HG22 THR 30 2HG2 THR 30 15.665 11.808 -3.803
388 HG23 THR 30 3HG2 THR 30 14.832 13.171 -3.045
389 HXT THR 30 H02 THR 30 16.285 8.979 1.113
Start of MODEL 7
1 H1 GLY 1 3H0 GLY 1 1.440 -2.152 -2.122
2 H2 GLY 1 2H0 GLY 1 0.845 -1.978 -0.593
3 H3 GLY 1 1H0 GLY 1 -0.189 -2.144 -1.868
4 HA2 GLY 1 1HA GLY 1 -0.123 0.131 -1.132
5 HA3 GLY 1 2HA GLY 1 1.630 0.126 -1.420
6 H ILE 2 H ILE 2 -0.187 1.959 -2.680
7 HA ILE 2 HA ILE 2 -1.239 0.982 -5.091
8 HB ILE 2 HB ILE 2 -1.849 3.125 -3.917
9 HG12 ILE 2 1HG1 ILE 2 -1.213 3.394 -6.871
10 HG13 ILE 2 2HG1 ILE 2 -2.585 2.506 -6.207
11 HG21 ILE 2 1HG2 ILE 2 0.553 4.365 -5.352
12 HG22 ILE 2 2HG2 ILE 2 -0.601 5.177 -4.276
13 HG23 ILE 2 3HG2 ILE 2 0.525 3.985 -3.610
14 HD11 ILE 2 3HD1 ILE 2 -3.402 4.653 -5.175
15 HD12 ILE 2 1HD1 ILE 2 -2.091 5.504 -6.035
16 HD13 ILE 2 2HD1 ILE 2 -3.348 4.657 -6.950
17 H VAL 3 H VAL 3 2.028 2.224 -4.460
18 HA VAL 3 HA VAL 3 2.770 2.484 -7.191
19 HB VAL 3 HB VAL 3 4.575 1.761 -4.837
20 HG11 VAL 3 1HG1 VAL 3 5.690 1.434 -7.010
21 HG12 VAL 3 2HG1 VAL 3 5.167 3.045 -7.551
22 HG13 VAL 3 3HG1 VAL 3 6.339 2.889 -6.220
23 HG21 VAL 3 3HG2 VAL 3 4.981 4.237 -4.705
24 HG22 VAL 3 1HG2 VAL 3 3.686 4.485 -5.896
25 HG23 VAL 3 2HG2 VAL 3 3.313 3.791 -4.300
26 H GLU 4 H GLU 4 2.927 -0.283 -4.925
27 HA GLU 4 HA GLU 4 4.259 -2.005 -6.811
28 HB2 GLU 4 1HB GLU 4 2.550 -2.617 -4.371
29 HB3 GLU 4 2HB GLU 4 3.424 -3.832 -5.304
30 HG2 GLU 4 1HG GLU 4 4.827 -3.371 -3.467
31 HG3 GLU 4 2HG GLU 4 5.553 -2.507 -4.828
32 HE2 GLU 4 HE2 GLU 4 5.728 0.079 -2.666
33 H GLN 5 H GLN 5 0.833 -1.368 -6.019
34 HA GLN 5 HA GLN 5 -0.314 -3.477 -7.525
35 HB2 GLN 5 1HB GLN 5 -1.299 -0.685 -6.865
36 HB3 GLN 5 2HB GLN 5 -2.304 -1.887 -7.680
37 HG2 GLN 5 1HG GLN 5 -2.495 -3.224 -5.796
38 HG3 GLN 5 2HG GLN 5 -0.978 -2.647 -5.095
39 HE21 GLN 5 2HE2 GLN 5 -3.927 -0.942 -6.256
40 HE22 GLN 5 1HE2 GLN 5 -4.183 -0.089 -4.749
41 H CYS 6 H CYS 6 0.778 -0.231 -8.572
42 HA CYS 6 HA CYS 6 -0.145 -0.779 -11.312
43 HB2 CYS 6 1HB CYS 6 1.494 1.496 -10.148
44 HB3 CYS 6 2HB CYS 6 0.868 1.425 -11.799
45 H CYS 7 H CYS 7 2.881 -0.985 -9.485
46 HA CYS 7 HA CYS 7 4.548 -0.949 -11.855
47 HB2 CYS 7 1HB CYS 7 5.248 -0.159 -9.594
48 HB3 CYS 7 2HB CYS 7 5.202 -1.828 -9.027
49 H THR 8 H THR 8 3.738 -3.538 -9.465
50 HA THR 8 HA THR 8 5.084 -5.474 -11.228
51 HB THR 8 HB THR 8 5.243 -5.359 -8.621
52 HG1 THR 8 HG1 THR 8 4.775 -7.786 -10.043
53 HG21 THR 8 1HG2 THR 8 2.729 -5.524 -8.265
54 HG22 THR 8 2HG2 THR 8 3.699 -6.716 -7.382
55 HG23 THR 8 3HG2 THR 8 2.829 -7.196 -8.852
56 H SER 9 H SER 9 1.894 -4.348 -10.594
57 HA SER 9 HA SER 9 0.863 -6.492 -12.380
58 HB2 SER 9 1HB SER 9 -0.530 -5.424 -9.853
59 HB3 SER 9 2HB SER 9 -1.221 -6.591 -11.000
60 HG SER 9 HG SER 9 -0.319 -7.686 -9.249
61 H ILE 10 H ILE 10 -1.835 -5.391 -12.431
62 HA ILE 10 HA ILE 10 -1.160 -2.806 -13.771
63 HB ILE 10 HB ILE 10 -3.191 -4.858 -14.721
64 HG12 ILE 10 1HG1 ILE 10 -0.378 -4.155 -15.635
65 HG13 ILE 10 2HG1 ILE 10 -0.915 -5.690 -14.954
66 HG21 ILE 10 1HG2 ILE 10 -2.122 -2.302 -16.034
67 HG22 ILE 10 2HG2 ILE 10 -3.360 -3.397 -16.693
68 HG23 ILE 10 3HG2 ILE 10 -3.713 -2.446 -15.250
69 HD11 ILE 10 3HD1 ILE 10 -1.525 -4.563 -17.647
70 HD12 ILE 10 1HD1 ILE 10 -0.611 -6.024 -17.235
71 HD13 ILE 10 2HD1 ILE 10 -2.373 -5.972 -16.961
72 H CYS 11 H CYS 11 -2.058 -1.172 -12.742
73 HA CYS 11 HA CYS 11 -4.519 -1.623 -11.154
74 HB2 CYS 11 1HB CYS 11 -4.023 0.570 -10.195
75 HB3 CYS 11 2HB CYS 11 -2.611 -0.484 -10.083
76 H SER 12 H SER 12 -6.352 -0.179 -11.483
77 HA SER 12 HA SER 12 -6.752 0.363 -14.342
78 HB2 SER 12 1HB SER 12 -9.079 0.757 -13.687
79 HB3 SER 12 2HB SER 12 -8.488 -0.759 -12.974
80 HG SER 12 HG SER 12 -9.455 0.286 -11.326
81 H LEU 13 H LEU 13 -7.882 2.440 -14.970
82 HA LEU 13 HA LEU 13 -6.271 4.674 -14.315
83 HB2 LEU 13 1HB LEU 13 -7.761 5.970 -15.650
84 HB3 LEU 13 2HB LEU 13 -7.545 4.399 -16.402
85 HG LEU 13 HG LEU 13 -9.848 3.936 -15.021
86 HD11 LEU 13 1HD1 LEU 13 -9.943 6.871 -15.865
87 HD12 LEU 13 2HD1 LEU 13 -10.005 6.268 -14.192
88 HD13 LEU 13 3HD1 LEU 13 -11.326 5.895 -15.315
89 HD21 LEU 13 3HD2 LEU 13 -9.428 3.482 -17.396
90 HD22 LEU 13 1HD2 LEU 13 -9.596 5.217 -17.769
91 HD23 LEU 13 2HD2 LEU 13 -10.992 4.290 -17.168
92 H TYR 14 H TYR 14 -9.199 3.460 -12.789
93 HA TYR 14 HA TYR 14 -9.893 5.875 -11.416
94 HB2 TYR 14 1HB TYR 14 -10.356 3.033 -10.468
95 HB3 TYR 14 2HB TYR 14 -11.311 4.470 -10.082
96 HD1 TYR 14 HD1 TYR 14 -12.522 5.648 -12.095
97 HD2 TYR 14 HD2 TYR 14 -10.921 1.659 -12.285
98 HE1 TYR 14 HE1 TYR 14 -13.956 5.164 -14.079
99 HE2 TYR 14 HE2 TYR 14 -12.347 1.190 -14.289
100 HH TYR 14 HH TYR 14 -14.591 3.609 -15.637
101 H GLN 15 H GLN 15 -7.738 3.142 -10.698
102 HA GLN 15 HA GLN 15 -7.102 4.014 -8.014
103 HB2 GLN 15 1HB GLN 15 -5.514 2.259 -9.920
104 HB3 GLN 15 2HB GLN 15 -5.241 2.441 -8.184
105 HG2 GLN 15 1HG GLN 15 -7.900 1.745 -8.273
106 HG3 GLN 15 2HG GLN 15 -7.238 0.829 -9.633
107 HE21 GLN 15 2HE2 GLN 15 -8.002 0.589 -6.499
108 HE22 GLN 15 1HE2 GLN 15 -6.805 -0.557 -5.963
109 H LEU 16 H LEU 16 -5.745 4.522 -11.271
110 HA LEU 16 HA LEU 16 -3.375 5.847 -10.464
111 HB2 LEU 16 1HB LEU 16 -5.019 5.975 -12.987
112 HB3 LEU 16 2HB LEU 16 -3.546 6.919 -12.790
113 HG LEU 16 HG LEU 16 -3.646 3.896 -12.513
114 HD11 LEU 16 1HD1 LEU 16 -2.784 5.563 -14.904
115 HD12 LEU 16 2HD1 LEU 16 -4.235 4.539 -14.809
116 HD13 LEU 16 3HD1 LEU 16 -2.632 3.797 -14.741
117 HD21 LEU 16 3HD2 LEU 16 -1.738 4.904 -11.373
118 HD22 LEU 16 1HD2 LEU 16 -1.343 5.867 -12.815
119 HD23 LEU 16 2HD2 LEU 16 -1.187 4.093 -12.845
120 H GLU 17 H GLU 17 -6.673 7.160 -10.872
121 HA GLU 17 HA GLU 17 -5.973 9.910 -10.786
122 HB2 GLU 17 1HB GLU 17 -8.408 8.434 -9.748
123 HB3 GLU 17 2HB GLU 17 -8.247 10.190 -9.677
124 HG2 GLU 17 1HG GLU 17 -7.889 10.190 -12.156
125 HG3 GLU 17 2HG GLU 17 -8.323 8.474 -12.160
126 HE2 GLU 17 HE2 GLU 17 -10.209 8.256 -10.656
127 H ASN 18 H ASN 18 -5.941 7.548 -8.165
128 HA ASN 18 HA ASN 18 -6.121 9.414 -6.003
129 HB2 ASN 18 1HB ASN 18 -4.783 6.698 -6.146
130 HB3 ASN 18 2HB ASN 18 -5.034 7.616 -4.658
131 HD21 ASN 18 2HD2 ASN 18 -6.150 5.060 -6.133
132 HD22 ASN 18 1HD2 ASN 18 -7.854 5.167 -5.749
133 H TYR 19 H TYR 19 -3.435 8.610 -8.130
134 HA TYR 19 HA TYR 19 -1.303 9.512 -6.384
135 HB2 TYR 19 1HB TYR 19 -1.629 9.298 -9.382
136 HB3 TYR 19 2HB TYR 19 -0.160 9.927 -8.672
137 HD1 TYR 19 HD1 TYR 19 -2.168 6.880 -9.203
138 HD2 TYR 19 HD2 TYR 19 1.434 8.486 -7.515
139 HE1 TYR 19 HE1 TYR 19 -1.220 4.588 -9.065
140 HE2 TYR 19 HE2 TYR 19 2.380 6.181 -7.368
141 HH TYR 19 HH TYR 19 2.059 3.972 -7.845
142 H CYS 20 H CYS 20 -3.688 11.089 -8.424
143 HA CYS 20 HA CYS 20 -2.271 13.668 -8.406
144 HB2 CYS 20 1HB CYS 20 -5.075 13.010 -9.370
145 HB3 CYS 20 2HB CYS 20 -4.068 14.391 -9.844
146 H ASN 21 H ASN 21 -2.564 12.961 -5.855
147 HA ASN 21 HA ASN 21 -5.097 13.728 -4.656
148 HB2 ASN 21 1HB ASN 21 -3.490 12.079 -3.615
149 HB3 ASN 21 2HB ASN 21 -2.377 13.415 -3.308
150 HD21 ASN 21 2HD2 ASN 21 -2.448 14.073 -1.269
151 HD22 ASN 21 1HD2 ASN 21 -3.897 14.187 -0.305
152 HXT ASN 21 H02 ASN 21 -5.100 15.518 -5.818
153 H1 PHE 1 3H0 PHE 1 -9.017 3.205 -21.888
154 H2 PHE 1 2H0 PHE 1 -8.335 2.536 -23.234
155 H3 PHE 1 1H0 PHE 1 -9.027 1.566 -22.094
156 HA PHE 1 HA PHE 1 -6.613 3.215 -21.723
157 HB2 PHE 1 1HB PHE 1 -8.192 2.919 -19.734
158 HB3 PHE 1 2HB PHE 1 -7.842 1.189 -19.818
159 HD1 PHE 1 HD1 PHE 1 -6.368 4.558 -19.203
160 HD2 PHE 1 HD2 PHE 1 -5.778 0.293 -18.941
161 HE1 PHE 1 HE1 PHE 1 -4.335 4.928 -17.816
162 HE2 PHE 1 HE2 PHE 1 -3.746 0.663 -17.550
163 HZ PHE 1 HZ PHE 1 -3.013 2.983 -17.002
164 H VAL 2 H VAL 2 -4.616 2.016 -21.783
165 HA VAL 2 HA VAL 2 -4.927 -0.691 -23.021
166 HB VAL 2 HB VAL 2 -2.561 1.247 -23.147
167 HG11 VAL 2 1HG1 VAL 2 -1.656 -0.344 -24.838
168 HG12 VAL 2 2HG1 VAL 2 -1.833 -1.111 -23.249
169 HG13 VAL 2 3HG1 VAL 2 -3.023 -1.438 -24.532
170 HG21 VAL 2 3HG2 VAL 2 -3.157 1.437 -25.571
171 HG22 VAL 2 1HG2 VAL 2 -4.633 0.493 -25.259
172 HG23 VAL 2 2HG2 VAL 2 -4.411 2.092 -24.507
173 H ASN 3 H ASN 3 -4.460 -2.336 -21.667
174 HA ASN 3 HA ASN 3 -3.327 -1.763 -19.061
175 HB2 ASN 3 1HB ASN 3 -3.971 -4.370 -20.483
176 HB3 ASN 3 2HB ASN 3 -3.277 -4.280 -18.860
177 HD21 ASN 3 2HD2 ASN 3 -5.777 -5.475 -19.483
178 HD22 ASN 3 1HD2 ASN 3 -7.021 -4.542 -18.685
179 H GLN 4 H GLN 4 -1.322 -1.771 -18.445
180 HA GLN 4 HA GLN 4 0.590 -3.679 -19.492
181 HB2 GLN 4 1HB GLN 4 2.282 -1.975 -20.104
182 HB3 GLN 4 2HB GLN 4 0.885 -1.893 -21.182
183 HG2 GLN 4 1HG GLN 4 0.010 0.029 -19.856
184 HG3 GLN 4 2HG GLN 4 1.476 -0.032 -18.868
185 HE21 GLN 4 2HE2 GLN 4 0.136 0.707 -22.009
186 HE22 GLN 4 1HE2 GLN 4 1.512 1.614 -22.588
187 H HIS 5 H HIS 5 2.320 -3.749 -17.943
188 HA HIS 5 HA HIS 5 1.688 -2.737 -15.286
189 HB2 HIS 5 1HB HIS 5 4.278 -3.870 -16.433
190 HB3 HIS 5 2HB HIS 5 3.998 -3.502 -14.729
191 HD1 HIS 5 HD1 HIS 5 1.407 -4.709 -14.024
192 HD2 HIS 5 HD2 HIS 5 3.976 -6.583 -16.659
193 HE1 HIS 5 HE1 HIS 5 0.734 -7.177 -14.120
194 HE2 HIS 5 HE2 HIS 5 2.350 -8.295 -15.695
195 H LEU 6 H LEU 6 2.444 -0.888 -14.284
196 HA LEU 6 HA LEU 6 3.845 1.066 -16.083
197 HB2 LEU 6 1HB LEU 6 1.470 1.423 -14.238
198 HB3 LEU 6 2HB LEU 6 2.366 2.765 -14.939
199 HG LEU 6 HG LEU 6 0.993 0.666 -16.623
200 HD11 LEU 6 1HD1 LEU 6 -0.061 3.313 -15.596
201 HD12 LEU 6 2HD1 LEU 6 -0.696 1.690 -15.245
202 HD13 LEU 6 3HD1 LEU 6 -0.817 2.350 -16.888
203 HD21 LEU 6 3HD2 LEU 6 2.668 1.885 -17.865
204 HD22 LEU 6 1HD2 LEU 6 2.094 3.438 -17.207
205 HD23 LEU 6 2HD2 LEU 6 1.081 2.518 -18.334
206 H CYS 7 H CYS 7 5.825 1.242 -15.210
207 HA CYS 7 HA CYS 7 5.945 2.124 -12.374
208 HB2 CYS 7 1HB CYS 7 6.530 -0.422 -12.975
209 HB3 CYS 7 2HB CYS 7 8.079 0.296 -13.428
210 H GLY 8 H GLY 8 7.915 3.390 -11.938
211 HA2 GLY 8 1HA GLY 8 9.504 4.964 -12.526
212 HA3 GLY 8 2HA GLY 8 9.820 3.976 -13.961
213 H SER 9 H SER 9 9.980 5.486 -15.532
214 HA SER 9 HA SER 9 8.409 7.839 -15.738
215 HB2 SER 9 1HB SER 9 9.220 7.826 -18.113
216 HB3 SER 9 2HB SER 9 10.509 7.596 -16.907
217 HG SER 9 HG SER 9 10.693 6.091 -18.604
218 H HIS 10 H HIS 10 7.687 4.516 -16.789
219 HA HIS 10 HA HIS 10 5.610 5.242 -18.651
220 HB2 HIS 10 1HB HIS 10 6.337 2.762 -17.126
221 HB3 HIS 10 2HB HIS 10 4.714 2.881 -17.801
222 HD1 HIS 10 HD1 HIS 10 4.507 1.797 -20.039
223 HD2 HIS 10 HD2 HIS 10 8.303 3.517 -19.436
224 HE1 HIS 10 HE1 HIS 10 5.861 1.367 -22.134
225 HE2 HIS 10 HE2 HIS 10 8.146 2.404 -21.768
226 H LEU 11 H LEU 11 5.658 4.777 -15.123
227 HA LEU 11 HA LEU 11 2.800 4.866 -14.815
228 HB2 LEU 11 1HB LEU 11 4.422 3.977 -13.154
229 HB3 LEU 11 2HB LEU 11 5.008 5.605 -12.866
230 HG LEU 11 HG LEU 11 2.949 6.249 -11.806
231 HD11 LEU 11 1HD1 LEU 11 1.918 3.489 -12.566
232 HD12 LEU 11 2HD1 LEU 11 1.288 5.062 -13.122
233 HD13 LEU 11 3HD1 LEU 11 1.124 4.596 -11.421
234 HD21 LEU 11 3HD2 LEU 11 3.047 4.766 -9.885
235 HD22 LEU 11 1HD2 LEU 11 4.683 4.963 -10.541
236 HD23 LEU 11 2HD2 LEU 11 3.771 3.468 -10.864
237 H VAL 12 H VAL 12 5.379 7.321 -14.778
238 HA VAL 12 HA VAL 12 3.723 9.543 -14.087
239 HB VAL 12 HB VAL 12 6.279 9.438 -15.771
240 HG11 VAL 12 1HG1 VAL 12 6.581 11.796 -15.164
241 HG12 VAL 12 2HG1 VAL 12 5.074 11.570 -16.073
242 HG13 VAL 12 3HG1 VAL 12 5.022 11.788 -14.310
243 HG21 VAL 12 3HG2 VAL 12 7.405 10.066 -13.629
244 HG22 VAL 12 1HG2 VAL 12 5.850 9.880 -12.785
245 HG23 VAL 12 2HG2 VAL 12 6.628 8.474 -13.544
246 H GLU 13 H GLU 13 4.613 8.109 -17.257
247 HA GLU 13 HA GLU 13 3.252 10.086 -18.837
248 HB2 GLU 13 1HB GLU 13 4.054 7.211 -19.361
249 HB3 GLU 13 2HB GLU 13 3.266 8.221 -20.579
250 HG2 GLU 13 1HG GLU 13 5.903 8.878 -19.226
251 HG3 GLU 13 2HG GLU 13 5.727 8.166 -20.834
252 HE2 GLU 13 HE2 GLU 13 6.264 10.755 -19.300
253 H ALA 14 H ALA 14 2.144 7.149 -17.198
254 HA ALA 14 HA ALA 14 -0.398 7.063 -18.576
255 HB1 ALA 14 3HB ALA 14 0.409 5.977 -15.851
256 HB2 ALA 14 1HB ALA 14 -1.048 5.532 -16.773
257 HB3 ALA 14 2HB ALA 14 0.563 5.124 -17.404
258 H LEU 15 H LEU 15 0.803 8.585 -15.579
259 HA LEU 15 HA LEU 15 -1.759 9.452 -14.657
260 HB2 LEU 15 1HB LEU 15 1.054 10.440 -14.156
261 HB3 LEU 15 2HB LEU 15 -0.357 11.133 -13.362
262 HG LEU 15 HG LEU 15 0.430 8.213 -13.130
263 HD11 LEU 15 1HD1 LEU 15 0.864 10.454 -11.135
264 HD12 LEU 15 2HD1 LEU 15 2.137 9.693 -12.121
265 HD13 LEU 15 3HD1 LEU 15 1.258 8.735 -10.913
266 HD21 LEU 15 3HD2 LEU 15 -1.545 9.923 -11.622
267 HD22 LEU 15 1HD2 LEU 15 -1.142 8.226 -11.271
268 HD23 LEU 15 2HD2 LEU 15 -1.940 8.642 -12.788
269 H TYR 16 H TYR 16 0.540 10.903 -16.939
270 HA TYR 16 HA TYR 16 -0.628 13.490 -17.134
271 HB2 TYR 16 1HB TYR 16 0.863 11.689 -19.032
272 HB3 TYR 16 2HB TYR 16 0.005 13.076 -19.694
273 HD1 TYR 16 HD2 TYR 16 0.541 15.417 -18.776
274 HD2 TYR 16 HD1 TYR 16 3.033 11.985 -18.065
275 HE1 TYR 16 HE2 TYR 16 2.461 16.915 -18.222
276 HE2 TYR 16 HE1 TYR 16 4.949 13.490 -17.528
277 HH TYR 16 HH TYR 16 5.671 15.650 -17.326
278 H LEU 17 H LEU 17 -1.512 10.400 -18.720
279 HA LEU 17 HA LEU 17 -3.610 11.604 -20.288
280 HB2 LEU 17 1HB LEU 17 -3.211 8.731 -19.416
281 HB3 LEU 17 2HB LEU 17 -4.338 9.291 -20.641
282 HG LEU 17 HG LEU 17 -1.318 9.553 -20.848
283 HD11 LEU 17 1HD1 LEU 17 -3.192 7.492 -22.079
284 HD12 LEU 17 2HD1 LEU 17 -2.022 7.192 -20.769
285 HD13 LEU 17 3HD1 LEU 17 -1.445 7.639 -22.389
286 HD21 LEU 17 3HD2 LEU 17 -2.499 11.188 -22.239
287 HD22 LEU 17 1HD2 LEU 17 -3.534 9.905 -22.912
288 HD23 LEU 17 2HD2 LEU 17 -1.789 9.926 -23.259
289 H VAL 18 H VAL 18 -3.593 9.809 -17.202
290 HA VAL 18 HA VAL 18 -6.467 9.584 -17.125
291 HB VAL 18 HB VAL 18 -4.349 9.228 -14.952
292 HG11 VAL 18 1HG1 VAL 18 -6.483 9.658 -13.873
293 HG12 VAL 18 2HG1 VAL 18 -7.305 8.494 -14.935
294 HG13 VAL 18 3HG1 VAL 18 -6.105 7.935 -13.744
295 HG21 VAL 18 3HG2 VAL 18 -4.142 7.664 -16.819
296 HG22 VAL 18 1HG2 VAL 18 -4.754 6.824 -15.390
297 HG23 VAL 18 2HG2 VAL 18 -5.865 7.255 -16.705
298 H CYS 19 H CYS 19 -4.150 11.781 -15.502
299 HA CYS 19 HA CYS 19 -6.474 13.168 -14.314
300 HB2 CYS 19 1HB CYS 19 -3.502 13.454 -13.878
301 HB3 CYS 19 2HB CYS 19 -4.727 14.501 -13.115
302 H GLY 20 H GLY 20 -4.548 13.360 -17.150
303 HA2 GLY 20 1HA GLY 20 -4.782 14.804 -18.908
304 HA3 GLY 20 2HA GLY 20 -6.265 15.373 -18.139
305 H GLU 21 H GLU 21 -6.026 17.447 -18.748
306 HA GLU 21 HA GLU 21 -3.653 19.004 -18.425
307 HB2 GLU 21 1HB GLU 21 -6.570 19.806 -18.687
308 HB3 GLU 21 2HB GLU 21 -5.209 20.926 -18.813
309 HG2 GLU 21 1HG GLU 21 -4.377 19.762 -20.787
310 HG3 GLU 21 2HG GLU 21 -5.653 18.543 -20.643
311 HE2 GLU 21 HE2 GLU 21 -6.479 22.114 -22.083
312 H ARG 22 H ARG 22 -5.694 17.838 -15.986
313 HA ARG 22 HA ARG 22 -5.698 20.165 -14.243
314 HB2 ARG 22 1HB ARG 22 -5.993 17.203 -13.644
315 HB3 ARG 22 2HB ARG 22 -6.250 18.497 -12.474
316 HG2 ARG 22 1HG ARG 22 -8.110 19.376 -13.769
317 HG3 ARG 22 2HG ARG 22 -7.847 18.168 -15.041
318 HD2 ARG 22 1HD ARG 22 -8.467 17.447 -12.158
319 HD3 ARG 22 2HD ARG 22 -9.711 17.658 -13.405
320 HE ARG 22 HE ARG 22 -7.760 15.842 -14.393
321 HH11 ARG 22 1HH1 ARG 22 -10.271 15.928 -11.899
322 HH12 ARG 22 2HH1 ARG 22 -10.562 14.210 -11.999
323 HH21 ARG 22 1HH2 ARG 22 -8.228 13.641 -14.474
324 HH22 ARG 22 2HH2 ARG 22 -9.427 12.949 -13.410
325 H GLY 23 H GLY 23 -3.375 17.742 -15.130
326 HA2 GLY 23 1HA GLY 23 -1.113 17.696 -14.547
327 HA3 GLY 23 2HA GLY 23 -1.400 18.959 -13.330
328 H PHE 24 H PHE 24 0.198 17.075 -12.457
329 HA PHE 24 HA PHE 24 -1.253 15.721 -10.347
330 HB2 PHE 24 1HB PHE 24 -0.714 13.450 -10.966
331 HB3 PHE 24 2HB PHE 24 -1.653 14.167 -12.278
332 HD1 PHE 24 HD1 PHE 24 -0.498 14.904 -14.377
333 HD2 PHE 24 HD2 PHE 24 1.493 12.661 -11.311
334 HE1 PHE 24 HE1 PHE 24 1.300 14.322 -15.971
335 HE2 PHE 24 HE2 PHE 24 3.278 12.037 -12.905
336 HZ PHE 24 HZ PHE 24 3.192 12.881 -15.256
337 H PHE 25 H PHE 25 0.493 14.220 -9.209
338 HA PHE 25 HA PHE 25 3.255 15.094 -9.817
339 HB2 PHE 25 1HB PHE 25 3.792 15.441 -7.481
340 HB3 PHE 25 2HB PHE 25 2.467 16.521 -7.921
341 HD1 PHE 25 HD1 PHE 25 0.199 16.169 -7.022
342 HD2 PHE 25 HD2 PHE 25 3.461 13.582 -5.929
343 HE1 PHE 25 HE1 PHE 25 -1.139 15.288 -5.124
344 HE2 PHE 25 HE2 PHE 25 2.121 12.683 -4.036
345 HZ PHE 25 HZ PHE 25 -0.183 13.537 -3.626
346 H TYR 26 H TYR 26 4.789 13.511 -8.714
347 HA TYR 26 HA TYR 26 3.543 10.920 -8.019
348 HB2 TYR 26 1HB TYR 26 3.858 10.673 -10.420
349 HB3 TYR 26 2HB TYR 26 5.494 11.342 -10.319
350 HD1 TYR 26 HD2 TYR 26 3.510 8.553 -8.698
351 HD2 TYR 26 HD1 TYR 26 7.260 9.808 -10.399
352 HE1 TYR 26 HE2 TYR 26 4.467 6.295 -8.275
353 HE2 TYR 26 HE1 TYR 26 8.193 7.530 -10.002
354 HH TYR 26 HH TYR 26 6.301 4.958 -8.404
355 H THR 27 H THR 27 4.832 9.765 -6.600
356 HA THR 27 HA THR 27 7.256 11.192 -5.635
357 HB THR 27 HB THR 27 6.826 9.608 -3.616
358 HG1 THR 27 HG1 THR 27 4.553 9.083 -3.496
359 HG21 THR 27 1HG2 THR 27 5.194 11.172 -2.660
360 HG22 THR 27 2HG2 THR 27 4.785 11.774 -4.283
361 HG23 THR 27 3HG2 THR 27 6.406 12.065 -3.603
362 HA PRO 28 HA PRO 28 8.976 7.437 -7.520
363 HB2 PRO 28 1HB PRO 28 11.475 8.354 -8.087
364 HB3 PRO 28 2HB PRO 28 10.064 8.777 -9.110
365 HG2 PRO 28 1HG PRO 28 11.330 10.361 -6.891
366 HG3 PRO 28 2HG PRO 28 10.927 10.882 -8.557
367 HD2 PRO 28 1HD PRO 28 9.298 11.393 -6.450
368 HD3 PRO 28 2HD PRO 28 8.642 11.015 -8.081
369 H LYS 29 H LYS 29 10.467 5.895 -6.692
370 HA LYS 29 HA LYS 29 11.262 6.368 -3.881
371 HB2 LYS 29 1HB LYS 29 11.531 3.912 -5.657
372 HB3 LYS 29 2HB LYS 29 11.926 3.983 -3.933
373 HG2 LYS 29 1HG LYS 29 9.509 4.584 -3.501
374 HG3 LYS 29 2HG LYS 29 9.182 4.238 -5.207
375 HD2 LYS 29 1HD LYS 29 10.376 2.241 -3.227
376 HD3 LYS 29 2HD LYS 29 8.664 2.334 -3.660
377 HE2 LYS 29 1HE LYS 29 9.355 0.648 -5.079
378 HE3 LYS 29 2HE LYS 29 9.551 2.055 -6.137
379 HZ1 LYS 29 3HZ LYS 29 11.481 0.589 -6.228
380 HZ2 LYS 29 1HZ LYS 29 11.731 0.727 -4.604
381 HZ3 LYS 29 2HZ LYS 29 11.931 2.039 -5.582
382 H THR 30 H THR 30 12.962 7.846 -4.064
383 HA THR 30 HA THR 30 15.177 7.310 -5.907
384 HB THR 30 HB THR 30 16.121 9.387 -4.651
385 HG1 THR 30 HG1 THR 30 14.428 10.502 -3.515
386 HG21 THR 30 1HG2 THR 30 14.599 10.923 -5.885
387 HG22 THR 30 2HG2 THR 30 13.384 9.648 -6.048
388 HG23 THR 30 3HG2 THR 30 14.937 9.515 -6.898
389 HXT THR 30 H02 THR 30 16.239 6.176 -2.375
Start of MODEL 8
1 H1 GLY 1 3H0 GLY 1 3.358 -0.693 -1.799
2 H2 GLY 1 2H0 GLY 1 3.172 -0.243 -0.224
3 H3 GLY 1 1H0 GLY 1 1.864 -0.729 -1.104
4 HA2 GLY 1 1HA GLY 1 1.856 1.668 -0.848
5 HA3 GLY 1 2HA GLY 1 3.461 1.708 -1.603
6 H ILE 2 H ILE 2 1.294 3.193 -2.724
7 HA ILE 2 HA ILE 2 -0.137 1.615 -4.611
8 HB ILE 2 HB ILE 2 -0.842 3.830 -3.708
9 HG12 ILE 2 1HG1 ILE 2 -0.820 3.626 -6.733
10 HG13 ILE 2 2HG1 ILE 2 -1.853 2.677 -5.667
11 HG21 ILE 2 1HG2 ILE 2 1.339 5.047 -3.989
12 HG22 ILE 2 2HG2 ILE 2 1.090 5.042 -5.750
13 HG23 ILE 2 3HG2 ILE 2 -0.030 5.920 -4.695
14 HD11 ILE 2 3HD1 ILE 2 -3.122 4.516 -6.563
15 HD12 ILE 2 1HD1 ILE 2 -2.870 4.802 -4.827
16 HD13 ILE 2 2HD1 ILE 2 -1.904 5.696 -6.032
17 H VAL 3 H VAL 3 2.974 3.383 -5.042
18 HA VAL 3 HA VAL 3 3.069 2.943 -7.872
19 HB VAL 3 HB VAL 3 4.578 4.579 -7.020
20 HG11 VAL 3 1HG1 VAL 3 4.787 3.860 -4.687
21 HG12 VAL 3 2HG1 VAL 3 5.771 2.455 -5.180
22 HG13 VAL 3 3HG1 VAL 3 6.389 4.108 -5.391
23 HG21 VAL 3 3HG2 VAL 3 6.363 2.197 -7.667
24 HG22 VAL 3 1HG2 VAL 3 5.455 3.119 -8.883
25 HG23 VAL 3 2HG2 VAL 3 6.712 3.925 -7.921
26 H GLU 4 H GLU 4 3.952 0.960 -5.092
27 HA GLU 4 HA GLU 4 5.238 -1.120 -6.563
28 HB2 GLU 4 1HB GLU 4 5.352 -0.784 -4.083
29 HB3 GLU 4 2HB GLU 4 3.661 -1.251 -3.980
30 HG2 GLU 4 1HG GLU 4 4.264 -3.491 -4.901
31 HG3 GLU 4 2HG GLU 4 5.967 -3.017 -4.774
32 HE2 GLU 4 HE2 GLU 4 5.361 -4.718 -1.796
33 H GLN 5 H GLN 5 1.843 -0.565 -5.580
34 HA GLN 5 HA GLN 5 0.773 -3.020 -6.485
35 HB2 GLN 5 1HB GLN 5 -0.345 -1.244 -5.088
36 HB3 GLN 5 2HB GLN 5 -0.507 -0.267 -6.545
37 HG2 GLN 5 1HG GLN 5 -1.894 -2.082 -7.556
38 HG3 GLN 5 2HG GLN 5 -1.831 -2.930 -5.999
39 HE21 GLN 5 2HE2 GLN 5 -4.269 -2.255 -6.998
40 HE22 GLN 5 1HE2 GLN 5 -4.953 -0.900 -6.125
41 H CYS 6 H CYS 6 1.250 0.089 -8.225
42 HA CYS 6 HA CYS 6 0.062 -0.934 -10.678
43 HB2 CYS 6 1HB CYS 6 1.712 1.515 -9.998
44 HB3 CYS 6 2HB CYS 6 1.216 1.142 -11.649
45 H CYS 7 H CYS 7 3.279 -0.991 -9.292
46 HA CYS 7 HA CYS 7 4.548 -1.480 -11.867
47 HB2 CYS 7 1HB CYS 7 5.668 -0.282 -10.022
48 HB3 CYS 7 2HB CYS 7 5.629 -1.755 -9.047
49 H THR 8 H THR 8 3.745 -3.462 -8.958
50 HA THR 8 HA THR 8 4.934 -5.818 -10.200
51 HB THR 8 HB THR 8 4.921 -5.317 -7.686
52 HG1 THR 8 HG1 THR 8 5.378 -7.396 -8.679
53 HG21 THR 8 1HG2 THR 8 2.190 -6.624 -7.747
54 HG22 THR 8 2HG2 THR 8 2.385 -4.861 -7.631
55 HG23 THR 8 3HG2 THR 8 3.046 -5.918 -6.366
56 H SER 9 H SER 9 1.725 -4.399 -10.105
57 HA SER 9 HA SER 9 0.839 -6.673 -11.782
58 HB2 SER 9 1HB SER 9 -0.668 -5.653 -9.311
59 HB3 SER 9 2HB SER 9 -1.308 -6.821 -10.489
60 HG SER 9 HG SER 9 1.123 -7.621 -9.671
61 H ILE 10 H ILE 10 -1.736 -5.984 -12.311
62 HA ILE 10 HA ILE 10 -1.210 -3.532 -13.872
63 HB ILE 10 HB ILE 10 -3.674 -5.341 -13.884
64 HG12 ILE 10 1HG1 ILE 10 -1.659 -6.642 -14.473
65 HG13 ILE 10 2HG1 ILE 10 -2.807 -6.495 -15.796
66 HG21 ILE 10 1HG2 ILE 10 -4.147 -3.146 -14.851
67 HG22 ILE 10 2HG2 ILE 10 -2.685 -3.229 -15.864
68 HG23 ILE 10 3HG2 ILE 10 -4.052 -4.335 -16.155
69 HD11 ILE 10 3HD1 ILE 10 -0.339 -4.753 -15.562
70 HD12 ILE 10 1HD1 ILE 10 -0.403 -6.280 -16.467
71 HD13 ILE 10 2HD1 ILE 10 -1.427 -4.920 -16.952
72 H CYS 11 H CYS 11 -2.148 -1.564 -13.434
73 HA CYS 11 HA CYS 11 -4.406 -1.559 -11.493
74 HB2 CYS 11 1HB CYS 11 -3.610 0.435 -10.462
75 HB3 CYS 11 2HB CYS 11 -2.286 -0.723 -10.441
76 H SER 12 H SER 12 -6.091 -0.211 -12.064
77 HA SER 12 HA SER 12 -6.166 0.405 -14.944
78 HB2 SER 12 1HB SER 12 -8.588 0.661 -14.528
79 HB3 SER 12 2HB SER 12 -7.983 -0.880 -13.883
80 HG SER 12 HG SER 12 -9.154 -0.048 -12.252
81 H LEU 13 H LEU 13 -7.529 2.449 -15.508
82 HA LEU 13 HA LEU 13 -6.094 4.740 -14.701
83 HB2 LEU 13 1HB LEU 13 -7.667 6.013 -15.939
84 HB3 LEU 13 2HB LEU 13 -7.391 4.504 -16.790
85 HG LEU 13 HG LEU 13 -9.644 3.875 -15.363
86 HD11 LEU 13 1HD1 LEU 13 -9.876 6.182 -14.492
87 HD12 LEU 13 2HD1 LEU 13 -11.203 5.776 -15.595
88 HD13 LEU 13 3HD1 LEU 13 -9.873 6.815 -16.155
89 HD21 LEU 13 3HD2 LEU 13 -9.247 3.476 -17.753
90 HD22 LEU 13 1HD2 LEU 13 -9.496 5.208 -18.093
91 HD23 LEU 13 2HD2 LEU 13 -10.840 4.210 -17.483
92 H TYR 14 H TYR 14 -8.927 3.241 -13.234
93 HA TYR 14 HA TYR 14 -9.726 5.534 -11.701
94 HB2 TYR 14 1HB TYR 14 -10.118 2.598 -11.044
95 HB3 TYR 14 2HB TYR 14 -11.094 3.960 -10.482
96 HD1 TYR 14 HD2 TYR 14 -12.376 5.330 -12.301
97 HD2 TYR 14 HD1 TYR 14 -10.654 1.459 -13.044
98 HE1 TYR 14 HE2 TYR 14 -13.819 5.071 -14.323
99 HE2 TYR 14 HE1 TYR 14 -12.094 1.213 -15.074
100 HH TYR 14 HH TYR 14 -14.412 3.728 -16.079
101 H GLN 15 H GLN 15 -7.456 2.877 -11.192
102 HA GLN 15 HA GLN 15 -6.912 3.511 -8.408
103 HB2 GLN 15 1HB GLN 15 -5.291 1.980 -10.475
104 HB3 GLN 15 2HB GLN 15 -4.983 1.982 -8.738
105 HG2 GLN 15 1HG GLN 15 -7.573 0.991 -10.007
106 HG3 GLN 15 2HG GLN 15 -6.196 -0.046 -9.617
107 HE21 GLN 15 2HE2 GLN 15 -9.118 1.051 -8.490
108 HE22 GLN 15 1HE2 GLN 15 -8.872 0.757 -6.788
109 H LEU 16 H LEU 16 -5.650 4.401 -11.582
110 HA LEU 16 HA LEU 16 -3.346 5.813 -10.662
111 HB2 LEU 16 1HB LEU 16 -4.966 5.998 -13.196
112 HB3 LEU 16 2HB LEU 16 -3.544 6.987 -12.907
113 HG LEU 16 HG LEU 16 -3.537 3.948 -12.880
114 HD11 LEU 16 1HD1 LEU 16 -4.045 4.790 -15.123
115 HD12 LEU 16 2HD1 LEU 16 -2.406 4.127 -15.060
116 HD13 LEU 16 3HD1 LEU 16 -2.649 5.889 -15.043
117 HD21 LEU 16 3HD2 LEU 16 -1.283 5.996 -12.875
118 HD22 LEU 16 1HD2 LEU 16 -1.077 4.237 -13.048
119 HD23 LEU 16 2HD2 LEU 16 -1.723 4.904 -11.545
120 H GLU 17 H GLU 17 -6.741 6.855 -10.991
121 HA GLU 17 HA GLU 17 -6.301 9.651 -10.793
122 HB2 GLU 17 1HB GLU 17 -8.565 7.919 -9.754
123 HB3 GLU 17 2HB GLU 17 -8.583 9.683 -9.689
124 HG2 GLU 17 1HG GLU 17 -8.384 9.778 -12.143
125 HG3 GLU 17 2HG GLU 17 -8.402 8.015 -12.203
126 HE2 GLU 17 HE2 GLU 17 -11.720 7.912 -12.265
127 H ASN 18 H ASN 18 -5.979 7.188 -8.314
128 HA ASN 18 HA ASN 18 -6.218 8.836 -6.004
129 HB2 ASN 18 1HB ASN 18 -4.570 6.342 -6.478
130 HB3 ASN 18 2HB ASN 18 -4.828 7.082 -4.896
131 HD21 ASN 18 2HD2 ASN 18 -5.624 4.451 -6.208
132 HD22 ASN 18 1HD2 ASN 18 -7.330 4.331 -5.843
133 H TYR 19 H TYR 19 -3.614 8.580 -8.337
134 HA TYR 19 HA TYR 19 -1.494 9.630 -6.620
135 HB2 TYR 19 1HB TYR 19 -1.881 9.365 -9.589
136 HB3 TYR 19 2HB TYR 19 -0.428 10.058 -8.907
137 HD1 TYR 19 HD1 TYR 19 -2.401 6.909 -9.145
138 HD2 TYR 19 HD2 TYR 19 1.322 8.717 -8.005
139 HE1 TYR 19 HE1 TYR 19 -1.366 4.672 -9.028
140 HE2 TYR 19 HE2 TYR 19 2.356 6.457 -7.863
141 HH TYR 19 HH TYR 19 0.490 3.481 -8.591
142 H CYS 20 H CYS 20 -4.300 11.066 -7.659
143 HA CYS 20 HA CYS 20 -3.010 13.762 -7.877
144 HB2 CYS 20 1HB CYS 20 -5.741 12.890 -8.882
145 HB3 CYS 20 2HB CYS 20 -4.992 14.476 -9.103
146 H ASN 21 H ASN 21 -3.921 15.398 -6.546
147 HA ASN 21 HA ASN 21 -6.217 14.738 -4.815
148 HB2 ASN 21 1HB ASN 21 -4.316 13.846 -3.474
149 HB3 ASN 21 2HB ASN 21 -3.484 15.400 -3.611
150 HD21 ASN 21 2HD2 ASN 21 -3.521 16.281 -1.645
151 HD22 ASN 21 1HD2 ASN 21 -4.968 16.504 -0.697
152 HXT ASN 21 H02 ASN 21 -6.805 17.989 -4.960
153 H1 PHE 1 3H0 PHE 1 -9.287 2.183 -22.067
154 H2 PHE 1 2H0 PHE 1 -8.542 1.412 -23.321
155 H3 PHE 1 1H0 PHE 1 -9.247 0.533 -22.119
156 HA PHE 1 HA PHE 1 -6.891 2.280 -21.827
157 HB2 PHE 1 1HB PHE 1 -8.565 2.078 -19.876
158 HB3 PHE 1 2HB PHE 1 -8.071 0.386 -19.766
159 HD1 PHE 1 HD1 PHE 1 -6.798 3.908 -19.610
160 HD2 PHE 1 HD2 PHE 1 -6.070 -0.220 -18.598
161 HE1 PHE 1 HE1 PHE 1 -4.858 4.598 -18.212
162 HE2 PHE 1 HE2 PHE 1 -4.132 0.468 -17.189
163 HZ PHE 1 HZ PHE 1 -3.516 2.881 -17.008
164 H VAL 2 H VAL 2 -4.869 1.070 -21.493
165 HA VAL 2 HA VAL 2 -5.049 -1.700 -22.625
166 HB VAL 2 HB VAL 2 -2.748 0.317 -22.812
167 HG11 VAL 2 1HG1 VAL 2 -1.732 -1.350 -24.365
168 HG12 VAL 2 2HG1 VAL 2 -1.918 -2.005 -22.727
169 HG13 VAL 2 3HG1 VAL 2 -3.060 -2.480 -24.010
170 HG21 VAL 2 3HG2 VAL 2 -4.576 0.992 -24.290
171 HG22 VAL 2 1HG2 VAL 2 -3.265 0.306 -25.265
172 HG23 VAL 2 2HG2 VAL 2 -4.719 -0.663 -24.930
173 H ASN 3 H ASN 3 -4.342 -3.291 -21.282
174 HA ASN 3 HA ASN 3 -3.477 -2.535 -18.607
175 HB2 ASN 3 1HB ASN 3 -3.684 -5.232 -20.000
176 HB3 ASN 3 2HB ASN 3 -3.174 -5.018 -18.320
177 HD21 ASN 3 2HD2 ASN 3 -5.482 -6.475 -19.322
178 HD22 ASN 3 1HD2 ASN 3 -6.886 -5.713 -18.618
179 H GLN 4 H GLN 4 -1.485 -2.215 -17.931
180 HA GLN 4 HA GLN 4 0.695 -3.883 -18.862
181 HB2 GLN 4 1HB GLN 4 2.147 -1.927 -19.475
182 HB3 GLN 4 2HB GLN 4 0.852 -2.226 -20.638
183 HG2 GLN 4 1HG GLN 4 -0.473 -0.404 -19.647
184 HG3 GLN 4 2HG GLN 4 0.823 -0.091 -18.492
185 HE21 GLN 4 2HE2 GLN 4 -0.423 0.566 -21.571
186 HE22 GLN 4 1HE2 GLN 4 0.928 1.494 -22.179
187 H HIS 5 H HIS 5 2.293 -3.860 -17.276
188 HA HIS 5 HA HIS 5 1.668 -2.648 -14.703
189 HB2 HIS 5 1HB HIS 5 4.295 -3.789 -15.739
190 HB3 HIS 5 2HB HIS 5 3.920 -3.394 -14.061
191 HD1 HIS 5 HD1 HIS 5 1.280 -4.683 -13.517
192 HD2 HIS 5 HD2 HIS 5 4.165 -6.500 -15.866
193 HE1 HIS 5 HE1 HIS 5 0.753 -7.196 -13.578
194 HE2 HIS 5 HE2 HIS 5 2.542 -8.268 -14.982
195 H LEU 6 H LEU 6 2.600 -0.833 -13.758
196 HA LEU 6 HA LEU 6 4.045 1.013 -15.635
197 HB2 LEU 6 1HB LEU 6 1.811 1.629 -13.679
198 HB3 LEU 6 2HB LEU 6 2.678 2.815 -14.633
199 HG LEU 6 HG LEU 6 0.943 0.637 -15.825
200 HD11 LEU 6 1HD1 LEU 6 -0.391 2.090 -14.400
201 HD12 LEU 6 2HD1 LEU 6 -0.739 2.414 -16.109
202 HD13 LEU 6 3HD1 LEU 6 0.295 3.532 -15.186
203 HD21 LEU 6 3HD2 LEU 6 2.145 3.172 -16.991
204 HD22 LEU 6 1HD2 LEU 6 0.945 2.157 -17.808
205 HD23 LEU 6 2HD2 LEU 6 2.545 1.491 -17.436
206 H CYS 7 H CYS 7 6.073 1.081 -14.736
207 HA CYS 7 HA CYS 7 6.240 1.295 -11.758
208 HB2 CYS 7 1HB CYS 7 8.350 0.430 -13.763
209 HB3 CYS 7 2HB CYS 7 8.532 0.449 -12.006
210 H GLY 8 H GLY 8 8.453 2.271 -14.412
211 HA2 GLY 8 1HA GLY 8 9.208 4.633 -12.831
212 HA3 GLY 8 2HA GLY 8 10.014 4.015 -14.277
213 H SER 9 H SER 9 9.882 5.278 -16.009
214 HA SER 9 HA SER 9 8.367 7.648 -16.120
215 HB2 SER 9 1HB SER 9 8.887 7.516 -18.605
216 HB3 SER 9 2HB SER 9 10.291 7.361 -17.524
217 HG SER 9 HG SER 9 10.206 5.767 -19.220
218 H HIS 10 H HIS 10 7.488 4.383 -17.160
219 HA HIS 10 HA HIS 10 5.235 5.035 -18.755
220 HB2 HIS 10 1HB HIS 10 6.009 2.661 -17.061
221 HB3 HIS 10 2HB HIS 10 4.378 2.767 -17.720
222 HD1 HIS 10 HD1 HIS 10 4.056 1.629 -19.916
223 HD2 HIS 10 HD2 HIS 10 7.979 3.053 -19.393
224 HE1 HIS 10 HE1 HIS 10 5.364 0.978 -21.986
225 HE2 HIS 10 HE2 HIS 10 7.726 1.842 -21.671
226 H LEU 11 H LEU 11 5.542 4.807 -15.197
227 HA LEU 11 HA LEU 11 2.698 4.921 -14.747
228 HB2 LEU 11 1HB LEU 11 4.389 4.041 -13.141
229 HB3 LEU 11 2HB LEU 11 5.020 5.664 -12.933
230 HG LEU 11 HG LEU 11 2.994 6.382 -11.814
231 HD11 LEU 11 1HD1 LEU 11 1.189 4.791 -11.269
232 HD12 LEU 11 2HD1 LEU 11 1.957 3.564 -12.300
233 HD13 LEU 11 3HD1 LEU 11 1.309 5.065 -13.014
234 HD21 LEU 11 3HD2 LEU 11 3.177 4.993 -9.817
235 HD22 LEU 11 1HD2 LEU 11 4.783 5.180 -10.535
236 HD23 LEU 11 2HD2 LEU 11 3.890 3.664 -10.761
237 H VAL 12 H VAL 12 5.321 7.335 -14.863
238 HA VAL 12 HA VAL 12 3.708 9.581 -14.143
239 HB VAL 12 HB VAL 12 6.189 9.486 -15.929
240 HG11 VAL 12 1HG1 VAL 12 4.983 11.625 -16.063
241 HG12 VAL 12 2HG1 VAL 12 5.031 11.763 -14.291
242 HG13 VAL 12 3HG1 VAL 12 6.539 11.811 -15.232
243 HG21 VAL 12 3HG2 VAL 12 6.651 8.414 -13.775
244 HG22 VAL 12 1HG2 VAL 12 7.452 9.994 -13.851
245 HG23 VAL 12 2HG2 VAL 12 5.954 9.806 -12.915
246 H GLU 13 H GLU 13 4.580 8.152 -17.313
247 HA GLU 13 HA GLU 13 3.265 10.121 -18.920
248 HB2 GLU 13 1HB GLU 13 3.951 7.201 -19.382
249 HB3 GLU 13 2HB GLU 13 3.263 8.237 -20.636
250 HG2 GLU 13 1HG GLU 13 5.187 9.668 -20.637
251 HG3 GLU 13 2HG GLU 13 5.843 8.897 -19.190
252 HE2 GLU 13 HE2 GLU 13 6.774 7.543 -22.649
253 H ALA 14 H ALA 14 2.119 7.175 -17.310
254 HA ALA 14 HA ALA 14 -0.426 7.127 -18.673
255 HB1 ALA 14 3HB ALA 14 0.563 5.159 -17.534
256 HB2 ALA 14 1HB ALA 14 0.373 5.982 -15.968
257 HB3 ALA 14 2HB ALA 14 -1.063 5.538 -16.920
258 H LEU 15 H LEU 15 0.789 8.579 -15.649
259 HA LEU 15 HA LEU 15 -1.776 9.435 -14.719
260 HB2 LEU 15 1HB LEU 15 1.051 10.344 -14.157
261 HB3 LEU 15 2HB LEU 15 -0.353 11.053 -13.360
262 HG LEU 15 HG LEU 15 0.300 8.102 -13.238
263 HD11 LEU 15 1HD1 LEU 15 0.831 10.208 -11.128
264 HD12 LEU 15 2HD1 LEU 15 2.075 9.468 -12.164
265 HD13 LEU 15 3HD1 LEU 15 1.163 8.467 -11.019
266 HD21 LEU 15 3HD2 LEU 15 -2.033 8.618 -12.900
267 HD22 LEU 15 1HD2 LEU 15 -1.605 9.870 -11.717
268 HD23 LEU 15 2HD2 LEU 15 -1.283 8.155 -11.375
269 H TYR 16 H TYR 16 0.561 10.935 -16.924
270 HA TYR 16 HA TYR 16 -0.634 13.526 -17.025
271 HB2 TYR 16 1HB TYR 16 0.961 11.854 -18.961
272 HB3 TYR 16 2HB TYR 16 0.137 13.297 -19.549
273 HD1 TYR 16 HD2 TYR 16 0.574 15.535 -18.275
274 HD2 TYR 16 HD1 TYR 16 3.122 12.080 -17.983
275 HE1 TYR 16 HE2 TYR 16 2.451 16.978 -17.482
276 HE2 TYR 16 HE1 TYR 16 5.002 13.543 -17.220
277 HH TYR 16 HH TYR 16 4.631 17.057 -16.790
278 H LEU 17 H LEU 17 -1.493 10.451 -18.633
279 HA LEU 17 HA LEU 17 -3.522 11.674 -20.290
280 HB2 LEU 17 1HB LEU 17 -3.252 8.812 -19.336
281 HB3 LEU 17 2HB LEU 17 -4.320 9.384 -20.600
282 HG LEU 17 HG LEU 17 -1.291 9.509 -20.747
283 HD11 LEU 17 1HD1 LEU 17 -2.098 7.182 -20.576
284 HD12 LEU 17 2HD1 LEU 17 -1.460 7.531 -22.196
285 HD13 LEU 17 3HD1 LEU 17 -3.219 7.469 -21.931
286 HD21 LEU 17 3HD2 LEU 17 -1.693 9.799 -23.177
287 HD22 LEU 17 1HD2 LEU 17 -2.386 11.126 -22.228
288 HD23 LEU 17 2HD2 LEU 17 -3.445 9.851 -22.874
289 H VAL 18 H VAL 18 -3.603 9.910 -17.180
290 HA VAL 18 HA VAL 18 -6.479 9.809 -17.130
291 HB VAL 18 HB VAL 18 -4.423 9.385 -14.908
292 HG11 VAL 18 1HG1 VAL 18 -6.246 8.133 -13.754
293 HG12 VAL 18 2HG1 VAL 18 -6.599 9.863 -13.898
294 HG13 VAL 18 3HG1 VAL 18 -7.397 8.704 -14.988
295 HG21 VAL 18 3HG2 VAL 18 -5.905 7.479 -16.759
296 HG22 VAL 18 1HG2 VAL 18 -4.163 7.810 -16.734
297 HG23 VAL 18 2HG2 VAL 18 -4.918 6.981 -15.370
298 H CYS 19 H CYS 19 -4.100 11.919 -15.470
299 HA CYS 19 HA CYS 19 -6.403 13.394 -14.335
300 HB2 CYS 19 1HB CYS 19 -3.649 12.985 -13.553
301 HB3 CYS 19 2HB CYS 19 -4.077 14.711 -13.548
302 H GLY 20 H GLY 20 -4.493 13.492 -17.160
303 HA2 GLY 20 1HA GLY 20 -4.497 15.045 -18.850
304 HA3 GLY 20 2HA GLY 20 -5.946 15.724 -18.101
305 H GLU 21 H GLU 21 -5.490 17.811 -18.496
306 HA GLU 21 HA GLU 21 -2.941 19.015 -18.013
307 HB2 GLU 21 1HB GLU 21 -5.712 20.188 -18.402
308 HB3 GLU 21 2HB GLU 21 -4.223 21.141 -18.370
309 HG2 GLU 21 1HG GLU 21 -3.376 19.892 -20.328
310 HG3 GLU 21 2HG GLU 21 -4.873 18.953 -20.379
311 HE2 GLU 21 HE2 GLU 21 -3.775 20.541 -22.247
312 H ARG 22 H ARG 22 -5.276 18.111 -15.630
313 HA ARG 22 HA ARG 22 -4.984 20.504 -14.024
314 HB2 ARG 22 1HB ARG 22 -6.485 19.587 -12.617
315 HB3 ARG 22 2HB ARG 22 -6.830 18.609 -14.043
316 HG2 ARG 22 1HG ARG 22 -5.193 16.888 -13.058
317 HG3 ARG 22 2HG ARG 22 -5.260 17.852 -11.570
318 HD2 ARG 22 1HD ARG 22 -6.887 16.243 -11.243
319 HD3 ARG 22 2HD ARG 22 -7.813 17.649 -11.819
320 HE ARG 22 HE ARG 22 -7.089 16.194 -14.092
321 HH11 ARG 22 1HH1 ARG 22 -9.042 15.541 -11.215
322 HH12 ARG 22 2HH1 ARG 22 -10.039 14.373 -12.042
323 HH21 ARG 22 1HH2 ARG 22 -8.397 14.700 -15.073
324 HH22 ARG 22 2HH2 ARG 22 -9.678 13.909 -14.194
325 H GLY 23 H GLY 23 -2.945 17.833 -14.616
326 HA2 GLY 23 1HA GLY 23 -0.770 17.578 -13.783
327 HA3 GLY 23 2HA GLY 23 -1.124 18.732 -12.486
328 H PHE 24 H PHE 24 0.245 16.624 -11.700
329 HA PHE 24 HA PHE 24 -1.508 15.153 -9.904
330 HB2 PHE 24 1HB PHE 24 -0.888 12.927 -10.724
331 HB3 PHE 24 2HB PHE 24 -1.785 13.805 -11.966
332 HD1 PHE 24 HD1 PHE 24 -0.717 14.575 -14.005
333 HD2 PHE 24 HD2 PHE 24 1.477 12.432 -11.012
334 HE1 PHE 24 HE1 PHE 24 1.118 14.193 -15.626
335 HE2 PHE 24 HE2 PHE 24 3.307 12.014 -12.622
336 HZ PHE 24 HZ PHE 24 3.135 12.908 -14.954
337 H PHE 25 H PHE 25 0.153 13.445 -8.780
338 HA PHE 25 HA PHE 25 2.898 14.608 -8.895
339 HB2 PHE 25 1HB PHE 25 3.114 14.285 -6.453
340 HB3 PHE 25 2HB PHE 25 1.916 15.513 -6.872
341 HD1 PHE 25 HD2 PHE 25 2.341 12.007 -5.666
342 HD2 PHE 25 HD1 PHE 25 -0.377 15.294 -6.246
343 HE1 PHE 25 HE2 PHE 25 0.633 10.832 -4.286
344 HE2 PHE 25 HE1 PHE 25 -2.082 14.126 -4.865
345 HZ PHE 25 HZ PHE 25 -1.593 11.891 -3.889
346 H TYR 26 H TYR 26 4.525 13.088 -8.119
347 HA TYR 26 HA TYR 26 3.773 10.272 -8.790
348 HB2 TYR 26 1HB TYR 26 5.537 11.396 -10.186
349 HB3 TYR 26 2HB TYR 26 6.501 11.629 -8.720
350 HD1 TYR 26 HD2 TYR 26 5.002 9.037 -10.961
351 HD2 TYR 26 HD1 TYR 26 7.847 9.834 -7.835
352 HE1 TYR 26 HE2 TYR 26 5.968 6.770 -11.254
353 HE2 TYR 26 HE1 TYR 26 8.782 7.538 -8.107
354 HH TYR 26 HH TYR 26 7.504 5.228 -10.544
355 H THR 27 H THR 27 4.630 8.647 -7.331
356 HA THR 27 HA THR 27 5.089 9.697 -4.578
357 HB THR 27 HB THR 27 4.486 7.370 -3.858
358 HG1 THR 27 HG1 THR 27 5.017 6.465 -5.980
359 HG21 THR 27 1HG2 THR 27 2.379 8.662 -5.644
360 HG22 THR 27 2HG2 THR 27 2.782 9.219 -4.000
361 HG23 THR 27 3HG2 THR 27 2.097 7.599 -4.253
362 HA PRO 28 HA PRO 28 9.194 8.145 -5.852
363 HB2 PRO 28 1HB PRO 28 10.748 9.840 -4.419
364 HB3 PRO 28 2HB PRO 28 9.872 10.403 -5.879
365 HG2 PRO 28 1HG PRO 28 9.056 10.607 -2.994
366 HG3 PRO 28 2HG PRO 28 9.183 11.908 -4.223
367 HD2 PRO 28 1HD PRO 28 6.827 10.708 -3.676
368 HD3 PRO 28 2HD PRO 28 7.268 11.198 -5.348
369 H LYS 29 H LYS 29 11.220 7.606 -4.368
370 HA LYS 29 HA LYS 29 10.215 6.401 -1.812
371 HB2 LYS 29 1HB LYS 29 12.384 5.358 -3.674
372 HB3 LYS 29 2HB LYS 29 11.913 4.640 -2.127
373 HG2 LYS 29 1HG LYS 29 9.602 4.289 -3.082
374 HG3 LYS 29 2HG LYS 29 10.227 4.818 -4.653
375 HD2 LYS 29 1HD LYS 29 11.288 2.457 -3.034
376 HD3 LYS 29 2HD LYS 29 10.170 2.328 -4.399
377 HE2 LYS 29 1HE LYS 29 13.021 3.414 -4.523
378 HE3 LYS 29 2HE LYS 29 12.498 1.815 -5.066
379 HZ1 LYS 29 3HZ LYS 29 11.110 2.889 -6.728
380 HZ2 LYS 29 1HZ LYS 29 12.679 3.368 -6.904
381 HZ3 LYS 29 2HZ LYS 29 11.579 4.387 -6.219
382 H THR 30 H THR 30 10.850 8.024 -0.428
383 HA THR 30 HA THR 30 13.437 9.345 -0.715
384 HB THR 30 HB THR 30 12.723 10.346 1.551
385 HG1 THR 30 HG1 THR 30 11.392 8.683 2.248
386 HG21 THR 30 1HG2 THR 30 10.631 10.524 -0.712
387 HG22 THR 30 2HG2 THR 30 12.140 11.462 -0.661
388 HG23 THR 30 3HG2 THR 30 10.897 11.706 0.576
389 HXT THR 30 H02 THR 30 14.444 7.527 -0.766
Start of MODEL 9
1 H1 GLY 1 3H0 GLY 1 5.665 1.710 0.195
2 H2 GLY 1 2H0 GLY 1 4.034 1.514 0.035
3 H3 GLY 1 1H0 GLY 1 5.059 0.820 -1.055
4 HA2 GLY 1 1HA GLY 1 4.681 3.716 -0.666
5 HA3 GLY 1 2HA GLY 1 5.783 2.970 -1.839
6 H ILE 2 H ILE 2 3.310 4.760 -2.155
7 HA ILE 2 HA ILE 2 1.135 3.169 -2.990
8 HB ILE 2 HB ILE 2 1.052 5.591 -2.341
9 HG12 ILE 2 1HG1 ILE 2 -0.166 4.988 -5.050
10 HG13 ILE 2 2HG1 ILE 2 -0.800 4.422 -3.511
11 HG21 ILE 2 1HG2 ILE 2 1.618 7.368 -3.907
12 HG22 ILE 2 2HG2 ILE 2 3.054 6.361 -3.681
13 HG23 ILE 2 3HG2 ILE 2 2.074 6.203 -5.158
14 HD11 ILE 2 3HD1 ILE 2 -2.101 6.331 -4.208
15 HD12 ILE 2 1HD1 ILE 2 -1.110 6.837 -2.822
16 HD13 ILE 2 2HD1 ILE 2 -0.644 7.309 -4.475
17 H VAL 3 H VAL 3 3.938 4.273 -4.853
18 HA VAL 3 HA VAL 3 2.933 3.823 -7.451
19 HB VAL 3 HB VAL 3 5.764 3.570 -6.329
20 HG11 VAL 3 1HG1 VAL 3 6.522 3.969 -8.683
21 HG12 VAL 3 2HG1 VAL 3 5.723 2.401 -8.469
22 HG13 VAL 3 3HG1 VAL 3 4.845 3.745 -9.228
23 HG21 VAL 3 3HG2 VAL 3 4.705 5.792 -6.041
24 HG22 VAL 3 1HG2 VAL 3 6.031 5.859 -7.219
25 HG23 VAL 3 2HG2 VAL 3 4.344 5.849 -7.782
26 H GLU 4 H GLU 4 4.117 1.504 -5.066
27 HA GLU 4 HA GLU 4 4.721 -0.630 -6.842
28 HB2 GLU 4 1HB GLU 4 3.800 -0.620 -3.956
29 HB3 GLU 4 2HB GLU 4 4.327 -2.073 -4.812
30 HG2 GLU 4 1HG GLU 4 6.541 -1.180 -5.121
31 HG3 GLU 4 2HG GLU 4 6.053 0.395 -4.475
32 HE2 GLU 4 HE2 GLU 4 6.882 -2.601 -2.063
33 H GLN 5 H GLN 5 1.655 0.479 -5.465
34 HA GLN 5 HA GLN 5 0.131 -1.870 -5.943
35 HB2 GLN 5 1HB GLN 5 -0.669 1.058 -5.886
36 HB3 GLN 5 2HB GLN 5 -1.808 -0.294 -5.852
37 HG2 GLN 5 1HG GLN 5 -0.960 -1.054 -3.721
38 HG3 GLN 5 2HG GLN 5 0.377 0.103 -3.776
39 HE21 GLN 5 2HE2 GLN 5 -3.195 0.004 -3.818
40 HE22 GLN 5 1HE2 GLN 5 -3.385 1.456 -2.863
41 H CYS 6 H CYS 6 1.223 0.638 -8.154
42 HA CYS 6 HA CYS 6 -0.512 -0.563 -10.292
43 HB2 CYS 6 1HB CYS 6 0.872 2.130 -10.110
44 HB3 CYS 6 2HB CYS 6 -0.003 1.544 -11.528
45 H CYS 7 H CYS 7 2.462 -0.945 -9.048
46 HA CYS 7 HA CYS 7 3.862 -1.054 -11.685
47 HB2 CYS 7 1HB CYS 7 4.855 0.428 -10.008
48 HB3 CYS 7 2HB CYS 7 4.930 -0.899 -8.853
49 H THR 8 H THR 8 3.574 -2.913 -8.569
50 HA THR 8 HA THR 8 4.952 -5.176 -9.799
51 HB THR 8 HB THR 8 5.056 -4.549 -7.308
52 HG1 THR 8 HG1 THR 8 4.394 -7.205 -8.109
53 HG21 THR 8 1HG2 THR 8 2.541 -4.405 -6.999
54 HG22 THR 8 2HG2 THR 8 3.390 -5.433 -5.830
55 HG23 THR 8 3HG2 THR 8 2.490 -6.173 -7.170
56 H SER 9 H SER 9 1.716 -4.061 -9.527
57 HA SER 9 HA SER 9 0.770 -6.347 -11.181
58 HB2 SER 9 1HB SER 9 -0.669 -5.240 -8.694
59 HB3 SER 9 2HB SER 9 -1.340 -6.417 -9.844
60 HG SER 9 HG SER 9 -0.481 -7.448 -8.000
61 H ILE 10 H ILE 10 -1.352 -5.461 -12.196
62 HA ILE 10 HA ILE 10 -0.837 -2.638 -12.868
63 HB ILE 10 HB ILE 10 -3.329 -3.738 -13.957
64 HG12 ILE 10 1HG1 ILE 10 -1.972 -5.900 -13.774
65 HG13 ILE 10 2HG1 ILE 10 -2.615 -5.469 -15.346
66 HG21 ILE 10 1HG2 ILE 10 -2.359 -1.749 -14.867
67 HG22 ILE 10 2HG2 ILE 10 -0.779 -2.539 -15.101
68 HG23 ILE 10 3HG2 ILE 10 -2.171 -3.000 -16.106
69 HD11 ILE 10 3HD1 ILE 10 -0.272 -6.383 -15.340
70 HD12 ILE 10 1HD1 ILE 10 -0.494 -4.846 -16.195
71 HD13 ILE 10 2HD1 ILE 10 0.241 -4.861 -14.575
72 H CYS 11 H CYS 11 -2.566 -1.063 -12.744
73 HA CYS 11 HA CYS 11 -4.752 -1.723 -10.841
74 HB2 CYS 11 1HB CYS 11 -4.438 0.339 -9.668
75 HB3 CYS 11 2HB CYS 11 -2.856 -0.445 -9.709
76 H SER 12 H SER 12 -6.618 -0.239 -11.291
77 HA SER 12 HA SER 12 -6.790 0.151 -14.204
78 HB2 SER 12 1HB SER 12 -9.155 0.507 -13.811
79 HB3 SER 12 2HB SER 12 -8.622 -0.903 -12.870
80 HG SER 12 HG SER 12 -9.624 0.193 -11.349
81 H LEU 13 H LEU 13 -7.945 2.177 -15.018
82 HA LEU 13 HA LEU 13 -6.409 4.480 -14.397
83 HB2 LEU 13 1HB LEU 13 -7.809 5.662 -15.895
84 HB3 LEU 13 2HB LEU 13 -7.624 4.036 -16.529
85 HG LEU 13 HG LEU 13 -9.975 3.747 -15.176
86 HD11 LEU 13 1HD1 LEU 13 -9.929 6.616 -16.218
87 HD12 LEU 13 2HD1 LEU 13 -10.088 6.118 -14.517
88 HD13 LEU 13 3HD1 LEU 13 -11.374 5.733 -15.673
89 HD21 LEU 13 3HD2 LEU 13 -9.540 3.099 -17.493
90 HD22 LEU 13 1HD2 LEU 13 -9.628 4.806 -18.000
91 HD23 LEU 13 2HD2 LEU 13 -11.072 3.987 -17.359
92 H TYR 14 H TYR 14 -9.367 3.239 -12.971
93 HA TYR 14 HA TYR 14 -10.222 5.679 -11.732
94 HB2 TYR 14 1HB TYR 14 -10.659 2.833 -10.785
95 HB3 TYR 14 2HB TYR 14 -11.670 4.239 -10.444
96 HD1 TYR 14 HD1 TYR 14 -12.583 5.468 -12.703
97 HD2 TYR 14 HD2 TYR 14 -11.335 1.356 -12.463
98 HE1 TYR 14 HE1 TYR 14 -13.896 4.939 -14.761
99 HE2 TYR 14 HE2 TYR 14 -12.640 0.842 -14.524
100 HH TYR 14 HH TYR 14 -14.047 1.651 -16.136
101 H GLN 15 H GLN 15 -8.004 3.082 -10.848
102 HA GLN 15 HA GLN 15 -7.534 3.997 -8.129
103 HB2 GLN 15 1HB GLN 15 -5.901 2.209 -9.924
104 HB3 GLN 15 2HB GLN 15 -5.685 2.452 -8.183
105 HG2 GLN 15 1HG GLN 15 -8.184 1.799 -8.016
106 HG3 GLN 15 2HG GLN 15 -7.959 1.130 -9.638
107 HE21 GLN 15 2HE2 GLN 15 -6.897 1.046 -6.313
108 HE22 GLN 15 1HE2 GLN 15 -6.218 -0.545 -6.393
109 H LEU 16 H LEU 16 -6.081 4.510 -11.337
110 HA LEU 16 HA LEU 16 -3.805 5.983 -10.456
111 HB2 LEU 16 1HB LEU 16 -5.289 5.984 -13.080
112 HB3 LEU 16 2HB LEU 16 -3.855 6.956 -12.796
113 HG LEU 16 HG LEU 16 -3.967 3.932 -12.612
114 HD11 LEU 16 1HD1 LEU 16 -2.830 5.724 -14.782
115 HD12 LEU 16 2HD1 LEU 16 -4.270 4.684 -14.912
116 HD13 LEU 16 3HD1 LEU 16 -2.671 3.954 -14.701
117 HD21 LEU 16 3HD2 LEU 16 -1.577 5.822 -12.574
118 HD22 LEU 16 1HD2 LEU 16 -1.507 4.047 -12.585
119 HD23 LEU 16 2HD2 LEU 16 -2.185 4.889 -11.187
120 H GLU 17 H GLU 17 -7.182 6.987 -10.939
121 HA GLU 17 HA GLU 17 -6.741 9.785 -10.979
122 HB2 GLU 17 1HB GLU 17 -9.036 8.141 -9.925
123 HB3 GLU 17 2HB GLU 17 -9.036 9.899 -9.850
124 HG2 GLU 17 1HG GLU 17 -8.640 8.415 -12.457
125 HG3 GLU 17 2HG GLU 17 -10.241 8.818 -11.823
126 HE2 GLU 17 HE2 GLU 17 -7.934 11.457 -13.542
127 H ASN 18 H ASN 18 -6.393 7.579 -8.275
128 HA ASN 18 HA ASN 18 -6.694 9.540 -6.183
129 HB2 ASN 18 1HB ASN 18 -5.137 6.934 -6.288
130 HB3 ASN 18 2HB ASN 18 -5.340 7.909 -4.827
131 HD21 ASN 18 2HD2 ASN 18 -6.500 5.315 -6.449
132 HD22 ASN 18 1HD2 ASN 18 -8.123 5.277 -5.787
133 H TYR 19 H TYR 19 -4.065 8.753 -8.370
134 HA TYR 19 HA TYR 19 -1.953 9.975 -6.784
135 HB2 TYR 19 1HB TYR 19 -2.203 9.242 -9.701
136 HB3 TYR 19 2HB TYR 19 -0.713 9.851 -8.999
137 HD1 TYR 19 HD1 TYR 19 -3.179 7.039 -8.815
138 HD2 TYR 19 HD2 TYR 19 0.791 8.372 -7.867
139 HE1 TYR 19 HE1 TYR 19 -2.566 4.731 -8.217
140 HE2 TYR 19 HE2 TYR 19 1.402 6.034 -7.255
141 HH TYR 19 HH TYR 19 0.553 3.820 -6.888
142 H CYS 20 H CYS 20 -4.501 11.064 -8.868
143 HA CYS 20 HA CYS 20 -3.169 13.449 -9.849
144 HB2 CYS 20 1HB CYS 20 -6.123 12.840 -9.869
145 HB3 CYS 20 2HB CYS 20 -5.223 13.897 -10.958
146 H ASN 21 H ASN 21 -2.939 13.603 -7.129
147 HA ASN 21 HA ASN 21 -5.089 15.055 -5.848
148 HB2 ASN 21 1HB ASN 21 -3.151 13.692 -4.766
149 HB3 ASN 21 2HB ASN 21 -2.161 15.136 -5.001
150 HD21 ASN 21 2HD2 ASN 21 -2.068 16.402 -3.252
151 HD22 ASN 21 1HD2 ASN 21 -3.347 16.587 -2.085
152 HXT ASN 21 H02 ASN 21 -3.932 16.163 -8.212
153 H1 PHE 1 3H0 PHE 1 -8.780 3.996 -21.950
154 H2 PHE 1 2H0 PHE 1 -8.430 2.837 -23.070
155 H3 PHE 1 1H0 PHE 1 -9.306 2.447 -21.729
156 HA PHE 1 HA PHE 1 -6.482 3.291 -21.764
157 HB2 PHE 1 1HB PHE 1 -7.950 3.995 -19.781
158 HB3 PHE 1 2HB PHE 1 -8.115 2.274 -19.414
159 HD1 PHE 1 HD1 PHE 1 -5.732 5.122 -19.632
160 HD2 PHE 1 HD2 PHE 1 -6.302 1.036 -18.375
161 HE1 PHE 1 HE1 PHE 1 -3.579 5.209 -18.390
162 HE2 PHE 1 HE2 PHE 1 -4.147 1.117 -17.132
163 HZ PHE 1 HZ PHE 1 -2.771 3.203 -17.155
164 H VAL 2 H VAL 2 -4.965 1.550 -21.388
165 HA VAL 2 HA VAL 2 -6.155 -1.185 -21.668
166 HB VAL 2 HB VAL 2 -3.615 -0.120 -23.017
167 HG11 VAL 2 1HG1 VAL 2 -4.927 -2.879 -23.129
168 HG12 VAL 2 2HG1 VAL 2 -3.549 -2.355 -24.123
169 HG13 VAL 2 3HG1 VAL 2 -3.369 -2.484 -22.364
170 HG21 VAL 2 3HG2 VAL 2 -4.849 -0.589 -25.153
171 HG22 VAL 2 1HG2 VAL 2 -6.316 -0.915 -24.201
172 HG23 VAL 2 2HG2 VAL 2 -5.586 0.709 -24.197
173 H ASN 3 H ASN 3 -5.475 -2.506 -20.041
174 HA ASN 3 HA ASN 3 -3.639 -1.468 -18.046
175 HB2 ASN 3 1HB ASN 3 -4.955 -4.179 -18.470
176 HB3 ASN 3 2HB ASN 3 -3.797 -3.871 -17.171
177 HD21 ASN 3 2HD2 ASN 3 -6.130 -4.691 -16.315
178 HD22 ASN 3 1HD2 ASN 3 -7.094 -3.385 -15.673
179 H GLN 4 H GLN 4 -1.515 -1.669 -17.986
180 HA GLN 4 HA GLN 4 -0.185 -4.043 -18.999
181 HB2 GLN 4 1HB GLN 4 1.428 -2.663 -20.390
182 HB3 GLN 4 2HB GLN 4 -0.174 -2.881 -21.101
183 HG2 GLN 4 1HG GLN 4 -0.820 -0.621 -20.324
184 HG3 GLN 4 2HG GLN 4 0.805 -0.393 -19.683
185 HE21 GLN 4 2HE2 GLN 4 -1.210 0.002 -22.328
186 HE22 GLN 4 1HE2 GLN 4 0.015 0.352 -23.526
187 H HIS 5 H HIS 5 1.808 -4.197 -17.971
188 HA HIS 5 HA HIS 5 2.069 -2.841 -15.455
189 HB2 HIS 5 1HB HIS 5 3.696 -4.755 -17.085
190 HB3 HIS 5 2HB HIS 5 4.550 -3.853 -15.853
191 HD1 HIS 5 HD1 HIS 5 3.288 -3.938 -13.314
192 HD2 HIS 5 HD2 HIS 5 2.672 -7.018 -16.043
193 HE1 HIS 5 HE1 HIS 5 2.405 -5.922 -12.025
194 HE2 HIS 5 HE2 HIS 5 2.085 -7.801 -13.659
195 H LEU 6 H LEU 6 2.504 -0.726 -15.250
196 HA LEU 6 HA LEU 6 4.751 0.391 -16.883
197 HB2 LEU 6 1HB LEU 6 2.235 1.799 -15.923
198 HB3 LEU 6 2HB LEU 6 3.583 2.576 -16.748
199 HG LEU 6 HG LEU 6 1.856 0.418 -17.986
200 HD11 LEU 6 1HD1 LEU 6 1.709 3.421 -18.315
201 HD12 LEU 6 2HD1 LEU 6 0.536 2.408 -17.434
202 HD13 LEU 6 3HD1 LEU 6 0.733 2.217 -19.189
203 HD21 LEU 6 3HD2 LEU 6 2.787 1.086 -20.102
204 HD22 LEU 6 1HD2 LEU 6 4.131 0.722 -19.012
205 HD23 LEU 6 2HD2 LEU 6 3.682 2.416 -19.350
206 H CYS 7 H CYS 7 6.270 1.510 -15.701
207 HA CYS 7 HA CYS 7 5.729 2.189 -12.893
208 HB2 CYS 7 1HB CYS 7 6.483 -0.314 -13.179
209 HB3 CYS 7 2HB CYS 7 8.075 0.379 -13.502
210 H GLY 8 H GLY 8 7.667 3.436 -12.032
211 HA2 GLY 8 1HA GLY 8 9.304 5.051 -12.339
212 HA3 GLY 8 2HA GLY 8 9.786 4.176 -13.802
213 H SER 9 H SER 9 10.064 5.862 -15.178
214 HA SER 9 HA SER 9 8.409 8.137 -15.436
215 HB2 SER 9 1HB SER 9 9.414 8.126 -17.812
216 HB3 SER 9 2HB SER 9 10.554 8.162 -16.446
217 HG SER 9 HG SER 9 11.153 6.596 -17.990
218 H HIS 10 H HIS 10 7.995 4.857 -16.740
219 HA HIS 10 HA HIS 10 6.071 5.686 -18.723
220 HB2 HIS 10 1HB HIS 10 6.804 3.032 -17.514
221 HB3 HIS 10 2HB HIS 10 5.464 3.207 -18.643
222 HD1 HIS 10 HD1 HIS 10 5.965 3.553 -21.138
223 HD2 HIS 10 HD2 HIS 10 9.385 3.586 -18.717
224 HE1 HIS 10 HE1 HIS 10 7.976 3.457 -22.697
225 HE2 HIS 10 HE2 HIS 10 10.030 3.473 -21.223
226 H LEU 11 H LEU 11 5.786 4.916 -15.275
227 HA LEU 11 HA LEU 11 2.877 4.700 -15.419
228 HB2 LEU 11 1HB LEU 11 4.282 3.745 -13.547
229 HB3 LEU 11 2HB LEU 11 4.600 5.397 -13.013
230 HG LEU 11 HG LEU 11 2.126 5.711 -12.699
231 HD11 LEU 11 1HD1 LEU 11 0.718 3.646 -12.574
232 HD12 LEU 11 2HD1 LEU 11 2.043 2.723 -13.312
233 HD13 LEU 11 3HD1 LEU 11 1.236 4.027 -14.220
234 HD21 LEU 11 3HD2 LEU 11 1.969 4.364 -10.650
235 HD22 LEU 11 1HD2 LEU 11 3.566 5.115 -10.811
236 HD23 LEU 11 2HD2 LEU 11 3.357 3.382 -11.179
237 H VAL 12 H VAL 12 5.304 7.216 -14.823
238 HA VAL 12 HA VAL 12 3.524 9.338 -14.138
239 HB VAL 12 HB VAL 12 6.250 9.369 -15.523
240 HG11 VAL 12 1HG1 VAL 12 5.046 11.476 -15.927
241 HG12 VAL 12 2HG1 VAL 12 4.806 11.660 -14.180
242 HG13 VAL 12 3HG1 VAL 12 6.444 11.699 -14.859
243 HG21 VAL 12 3HG2 VAL 12 5.459 9.766 -12.610
244 HG22 VAL 12 1HG2 VAL 12 6.298 8.351 -13.282
245 HG23 VAL 12 2HG2 VAL 12 7.104 9.929 -13.263
246 H GLU 13 H GLU 13 4.647 8.092 -17.303
247 HA GLU 13 HA GLU 13 3.438 10.134 -18.902
248 HB2 GLU 13 1HB GLU 13 4.130 7.232 -19.436
249 HB3 GLU 13 2HB GLU 13 3.447 8.286 -20.675
250 HG2 GLU 13 1HG GLU 13 5.353 9.786 -20.532
251 HG3 GLU 13 2HG GLU 13 6.033 8.853 -19.199
252 HE2 GLU 13 HE2 GLU 13 7.183 7.971 -22.648
253 H ALA 14 H ALA 14 2.161 7.158 -17.445
254 HA ALA 14 HA ALA 14 -0.339 7.260 -18.921
255 HB1 ALA 14 3HB ALA 14 0.547 5.176 -17.969
256 HB2 ALA 14 1HB ALA 14 0.402 5.848 -16.331
257 HB3 ALA 14 2HB ALA 14 -1.059 5.550 -17.301
258 H LEU 15 H LEU 15 0.857 8.428 -15.785
259 HA LEU 15 HA LEU 15 -1.681 9.205 -14.752
260 HB2 LEU 15 1HB LEU 15 1.155 10.090 -14.194
261 HB3 LEU 15 2HB LEU 15 -0.220 10.839 -13.391
262 HG LEU 15 HG LEU 15 0.403 7.876 -13.243
263 HD11 LEU 15 1HD1 LEU 15 2.144 9.259 -12.135
264 HD12 LEU 15 2HD1 LEU 15 1.201 8.275 -10.996
265 HD13 LEU 15 3HD1 LEU 15 0.872 10.015 -11.148
266 HD21 LEU 15 3HD2 LEU 15 -1.206 7.971 -11.361
267 HD22 LEU 15 1HD2 LEU 15 -1.938 8.324 -12.929
268 HD23 LEU 15 2HD2 LEU 15 -1.571 9.655 -11.812
269 H TYR 16 H TYR 16 0.598 10.909 -16.915
270 HA TYR 16 HA TYR 16 -0.686 13.454 -16.786
271 HB2 TYR 16 1HB TYR 16 0.853 12.014 -18.950
272 HB3 TYR 16 2HB TYR 16 0.053 13.550 -19.287
273 HD1 TYR 16 HD1 TYR 16 0.558 15.532 -17.613
274 HD2 TYR 16 HD2 TYR 16 3.074 12.078 -18.106
275 HE1 TYR 16 HE1 TYR 16 2.488 16.792 -16.655
276 HE2 TYR 16 HE2 TYR 16 5.005 13.361 -17.182
277 HH TYR 16 HH TYR 16 5.729 15.345 -16.312
278 H LEU 17 H LEU 17 -1.518 10.533 -18.667
279 HA LEU 17 HA LEU 17 -3.596 11.861 -20.168
280 HB2 LEU 17 1HB LEU 17 -3.253 8.926 -19.494
281 HB3 LEU 17 2HB LEU 17 -4.326 9.594 -20.712
282 HG LEU 17 HG LEU 17 -1.295 9.804 -20.801
283 HD11 LEU 17 1HD1 LEU 17 -3.160 7.866 -22.227
284 HD12 LEU 17 2HD1 LEU 17 -2.045 7.458 -20.897
285 HD13 LEU 17 3HD1 LEU 17 -1.401 7.997 -22.463
286 HD21 LEU 17 3HD2 LEU 17 -1.674 10.346 -23.195
287 HD22 LEU 17 1HD2 LEU 17 -2.404 11.549 -22.119
288 HD23 LEU 17 2HD2 LEU 17 -3.430 10.332 -22.912
289 H VAL 18 H VAL 18 -3.590 9.865 -17.207
290 HA VAL 18 HA VAL 18 -6.491 9.750 -17.111
291 HB VAL 18 HB VAL 18 -4.364 9.024 -15.034
292 HG11 VAL 18 1HG1 VAL 18 -7.368 8.627 -15.077
293 HG12 VAL 18 2HG1 VAL 18 -6.300 7.531 -14.179
294 HG13 VAL 18 3HG1 VAL 18 -6.324 9.244 -13.774
295 HG21 VAL 18 3HG2 VAL 18 -4.169 7.697 -17.070
296 HG22 VAL 18 1HG2 VAL 18 -4.857 6.696 -15.784
297 HG23 VAL 18 2HG2 VAL 18 -5.910 7.350 -17.057
298 H CYS 19 H CYS 19 -3.980 11.676 -15.498
299 HA CYS 19 HA CYS 19 -5.963 13.015 -13.810
300 HB2 CYS 19 1HB CYS 19 -3.066 13.726 -14.357
301 HB3 CYS 19 2HB CYS 19 -4.065 14.320 -13.025
302 H GLY 20 H GLY 20 -4.597 13.467 -17.012
303 HA2 GLY 20 1HA GLY 20 -4.950 15.160 -18.535
304 HA3 GLY 20 2HA GLY 20 -6.329 15.684 -17.544
305 H GLU 21 H GLU 21 -5.946 17.854 -17.677
306 HA GLU 21 HA GLU 21 -3.353 19.022 -17.287
307 HB2 GLU 21 1HB GLU 21 -6.134 20.248 -17.156
308 HB3 GLU 21 2HB GLU 21 -4.623 21.153 -17.219
309 HG2 GLU 21 1HG GLU 21 -5.315 21.226 -19.432
310 HG3 GLU 21 2HG GLU 21 -4.174 19.874 -19.448
311 HE2 GLU 21 HE2 GLU 21 -5.482 19.729 -21.319
312 H ARG 22 H ARG 22 -5.470 17.764 -14.858
313 HA ARG 22 HA ARG 22 -5.114 19.935 -12.992
314 HB2 ARG 22 1HB ARG 22 -6.513 18.827 -11.630
315 HB3 ARG 22 2HB ARG 22 -6.906 18.002 -13.137
316 HG2 ARG 22 1HG ARG 22 -5.190 16.225 -12.419
317 HG3 ARG 22 2HG ARG 22 -5.207 17.024 -10.831
318 HD2 ARG 22 1HD ARG 22 -6.807 15.381 -10.586
319 HD3 ARG 22 2HD ARG 22 -7.779 16.801 -11.018
320 HE ARG 22 HE ARG 22 -7.178 15.628 -13.443
321 HH11 ARG 22 1HH1 ARG 22 -8.741 14.409 -10.505
322 HH12 ARG 22 2HH1 ARG 22 -9.690 13.240 -11.394
323 HH21 ARG 22 1HH2 ARG 22 -8.447 14.129 -14.485
324 HH22 ARG 22 2HH2 ARG 22 -9.537 13.095 -13.586
325 H GLY 23 H GLY 23 -2.994 17.399 -13.912
326 HA2 GLY 23 1HA GLY 23 -0.791 17.136 -13.174
327 HA3 GLY 23 2HA GLY 23 -1.107 18.256 -11.840
328 H PHE 24 H PHE 24 0.373 16.248 -11.090
329 HA PHE 24 HA PHE 24 -1.259 14.644 -9.301
330 HB2 PHE 24 1HB PHE 24 -0.540 12.460 -10.221
331 HB3 PHE 24 2HB PHE 24 -1.577 13.352 -11.323
332 HD1 PHE 24 HD2 PHE 24 1.863 12.228 -10.696
333 HD2 PHE 24 HD1 PHE 24 -0.816 14.131 -13.454
334 HE1 PHE 24 HE2 PHE 24 3.533 11.969 -12.466
335 HE2 PHE 24 HE1 PHE 24 0.864 13.889 -15.252
336 HZ PHE 24 HZ PHE 24 3.050 12.811 -14.786
337 H PHE 25 H PHE 25 0.400 12.809 -8.417
338 HA PHE 25 HA PHE 25 3.094 14.064 -8.176
339 HB2 PHE 25 1HB PHE 25 3.178 13.622 -5.822
340 HB3 PHE 25 2HB PHE 25 1.711 14.555 -6.138
341 HD1 PHE 25 HD2 PHE 25 -0.521 13.478 -5.956
342 HD2 PHE 25 HD1 PHE 25 3.087 11.323 -5.043
343 HE1 PHE 25 HE2 PHE 25 -1.870 11.711 -4.824
344 HE2 PHE 25 HE1 PHE 25 1.753 9.562 -3.900
345 HZ PHE 25 HZ PHE 25 -0.733 9.749 -3.795
346 H TYR 26 H TYR 26 4.746 12.507 -7.441
347 HA TYR 26 HA TYR 26 4.119 9.638 -7.880
348 HB2 TYR 26 1HB TYR 26 4.708 10.518 -10.117
349 HB3 TYR 26 2HB TYR 26 6.198 11.208 -9.455
350 HD1 TYR 26 HD1 TYR 26 4.402 8.008 -10.138
351 HD2 TYR 26 HD2 TYR 26 8.155 9.847 -9.116
352 HE1 TYR 26 HE1 TYR 26 5.567 5.845 -10.480
353 HE2 TYR 26 HE2 TYR 26 9.310 7.671 -9.466
354 HH TYR 26 HH TYR 26 9.090 5.474 -9.968
355 H THR 27 H THR 27 5.540 8.351 -6.647
356 HA THR 27 HA THR 27 7.517 9.891 -5.022
357 HB THR 27 HB THR 27 7.196 8.217 -3.235
358 HG1 THR 27 HG1 THR 27 6.471 6.563 -4.766
359 HG21 THR 27 1HG2 THR 27 4.996 8.922 -2.506
360 HG22 THR 27 2HG2 THR 27 4.513 9.321 -4.167
361 HG23 THR 27 3HG2 THR 27 5.760 10.290 -3.341
362 HA PRO 28 HA PRO 28 10.084 6.958 -7.335
363 HB2 PRO 28 1HB PRO 28 12.461 8.276 -7.153
364 HB3 PRO 28 2HB PRO 28 11.173 8.802 -8.285
365 HG2 PRO 28 1HG PRO 28 11.804 9.837 -5.535
366 HG3 PRO 28 2HG PRO 28 11.586 10.753 -7.057
367 HD2 PRO 28 1HD PRO 28 9.592 10.468 -5.250
368 HD3 PRO 28 2HD PRO 28 9.264 10.484 -7.018
369 H LYS 29 H LYS 29 11.933 5.570 -6.704
370 HA LYS 29 HA LYS 29 11.958 5.111 -3.782
371 HB2 LYS 29 1HB LYS 29 13.298 3.582 -6.054
372 HB3 LYS 29 2HB LYS 29 13.300 3.116 -4.349
373 HG2 LYS 29 1HG LYS 29 10.730 3.085 -4.545
374 HG3 LYS 29 2HG LYS 29 10.997 3.105 -6.298
375 HD2 LYS 29 1HD LYS 29 12.108 1.023 -4.345
376 HD3 LYS 29 2HD LYS 29 10.708 0.799 -5.401
377 HE2 LYS 29 1HE LYS 29 12.287 -0.220 -6.714
378 HE3 LYS 29 2HE LYS 29 12.477 1.435 -7.313
379 HZ1 LYS 29 3HZ LYS 29 14.619 0.405 -6.813
380 HZ2 LYS 29 1HZ LYS 29 14.186 0.141 -5.245
381 HZ3 LYS 29 2HZ LYS 29 14.378 1.682 -5.798
382 H THR 30 H THR 30 13.109 7.031 -3.172
383 HA THR 30 HA THR 30 15.790 7.499 -4.211
384 HB THR 30 HB THR 30 15.852 9.143 -2.229
385 HG1 THR 30 HG1 THR 30 14.339 7.982 -0.931
386 HG21 THR 30 1HG2 THR 30 15.015 9.824 -4.535
387 HG22 THR 30 2HG2 THR 30 14.179 10.674 -3.225
388 HG23 THR 30 3HG2 THR 30 13.376 9.334 -4.050
389 HXT THR 30 H02 THR 30 17.736 5.959 -1.982
Start of MODEL 10
1 H1 GLY 1 3H0 GLY 1 2.525 -0.651 -0.023
2 H2 GLY 1 2H0 GLY 1 1.220 -0.981 -0.976
3 H3 GLY 1 1H0 GLY 1 2.747 -1.150 -1.579
4 HA2 GLY 1 1HA GLY 1 1.524 1.404 -0.735
5 HA3 GLY 1 2HA GLY 1 3.149 1.209 -1.419
6 H ILE 2 H ILE 2 0.899 2.847 -2.499
7 HA ILE 2 HA ILE 2 -0.453 1.417 -4.536
8 HB ILE 2 HB ILE 2 -1.098 3.655 -3.556
9 HG12 ILE 2 1HG1 ILE 2 -1.024 3.532 -6.589
10 HG13 ILE 2 2HG1 ILE 2 -2.123 2.601 -5.574
11 HG21 ILE 2 1HG2 ILE 2 0.908 4.825 -5.553
12 HG22 ILE 2 2HG2 ILE 2 -0.178 5.728 -4.481
13 HG23 ILE 2 3HG2 ILE 2 1.147 4.780 -3.790
14 HD11 ILE 2 3HD1 ILE 2 -3.306 4.533 -6.437
15 HD12 ILE 2 1HD1 ILE 2 -3.071 4.764 -4.689
16 HD13 ILE 2 2HD1 ILE 2 -2.045 5.641 -5.857
17 H VAL 3 H VAL 3 2.772 2.909 -4.619
18 HA VAL 3 HA VAL 3 3.021 2.830 -7.470
19 HB VAL 3 HB VAL 3 5.242 2.597 -5.387
20 HG11 VAL 3 1HG1 VAL 3 5.982 1.985 -7.675
21 HG12 VAL 3 2HG1 VAL 3 5.287 3.491 -8.313
22 HG13 VAL 3 3HG1 VAL 3 6.668 3.553 -7.196
23 HG21 VAL 3 3HG2 VAL 3 3.941 5.048 -6.666
24 HG22 VAL 3 1HG2 VAL 3 3.939 4.614 -4.941
25 HG23 VAL 3 2HG2 VAL 3 5.456 5.090 -5.730
26 H GLU 4 H GLU 4 3.757 0.456 -4.897
27 HA GLU 4 HA GLU 4 4.913 -1.530 -6.624
28 HB2 GLU 4 1HB GLU 4 3.490 -1.654 -3.959
29 HB3 GLU 4 2HB GLU 4 4.068 -3.108 -4.764
30 HG2 GLU 4 1HG GLU 4 6.315 -2.508 -4.541
31 HG3 GLU 4 2HG GLU 4 5.930 -0.810 -4.210
32 HE2 GLU 4 HE2 GLU 4 7.364 -2.819 -2.844
33 H GLN 5 H GLN 5 1.603 -0.757 -5.609
34 HA GLN 5 HA GLN 5 0.307 -3.061 -6.573
35 HB2 GLN 5 1HB GLN 5 -0.497 -1.137 -5.107
36 HB3 GLN 5 2HB GLN 5 -0.801 -0.238 -6.589
37 HG2 GLN 5 1HG GLN 5 -2.458 -1.839 -7.289
38 HG3 GLN 5 2HG GLN 5 -2.055 -2.903 -5.928
39 HE21 GLN 5 2HE2 GLN 5 -4.463 -1.099 -6.861
40 HE22 GLN 5 1HE2 GLN 5 -4.935 -0.342 -5.350
41 H CYS 6 H CYS 6 1.083 0.022 -8.249
42 HA CYS 6 HA CYS 6 -0.052 -0.918 -10.775
43 HB2 CYS 6 1HB CYS 6 1.715 1.435 -10.021
44 HB3 CYS 6 2HB CYS 6 1.162 1.118 -11.667
45 H CYS 7 H CYS 7 3.085 -1.125 -9.205
46 HA CYS 7 HA CYS 7 4.527 -1.502 -11.691
47 HB2 CYS 7 1HB CYS 7 5.160 -1.376 -8.818
48 HB3 CYS 7 2HB CYS 7 6.168 -2.497 -9.733
49 H THR 8 H THR 8 3.588 -3.719 -8.999
50 HA THR 8 HA THR 8 4.787 -5.942 -10.508
51 HB THR 8 HB THR 8 5.002 -5.621 -7.970
52 HG1 THR 8 HG1 THR 8 4.497 -8.038 -7.753
53 HG21 THR 8 1HG2 THR 8 2.308 -7.014 -7.893
54 HG22 THR 8 2HG2 THR 8 2.495 -5.270 -7.604
55 HG23 THR 8 3HG2 THR 8 3.293 -6.433 -6.529
56 H SER 9 H SER 9 1.626 -4.563 -9.999
57 HA SER 9 HA SER 9 0.559 -6.756 -11.696
58 HB2 SER 9 1HB SER 9 -0.829 -5.573 -9.220
59 HB3 SER 9 2HB SER 9 -1.533 -6.775 -10.323
60 HG SER 9 HG SER 9 -0.645 -7.781 -8.495
61 H ILE 10 H ILE 10 -1.950 -5.945 -12.177
62 HA ILE 10 HA ILE 10 -1.381 -3.492 -13.726
63 HB ILE 10 HB ILE 10 -3.876 -5.266 -13.716
64 HG12 ILE 10 1HG1 ILE 10 -1.883 -6.566 -14.397
65 HG13 ILE 10 2HG1 ILE 10 -3.069 -6.381 -15.681
66 HG21 ILE 10 1HG2 ILE 10 -2.925 -3.117 -15.676
67 HG22 ILE 10 2HG2 ILE 10 -4.318 -4.198 -15.941
68 HG23 ILE 10 3HG2 ILE 10 -4.346 -3.038 -14.609
69 HD11 ILE 10 3HD1 ILE 10 -1.703 -4.781 -16.845
70 HD12 ILE 10 1HD1 ILE 10 -0.568 -4.667 -15.485
71 HD13 ILE 10 2HD1 ILE 10 -0.683 -6.168 -16.428
72 H CYS 11 H CYS 11 -2.203 -1.518 -13.171
73 HA CYS 11 HA CYS 11 -4.442 -1.498 -11.199
74 HB2 CYS 11 1HB CYS 11 -3.625 0.524 -10.251
75 HB3 CYS 11 2HB CYS 11 -2.289 -0.619 -10.255
76 H SER 12 H SER 12 -6.205 -0.333 -11.841
77 HA SER 12 HA SER 12 -6.318 0.236 -14.713
78 HB2 SER 12 1HB SER 12 -8.716 0.509 -14.316
79 HB3 SER 12 2HB SER 12 -8.137 -0.966 -13.514
80 HG SER 12 HG SER 12 -9.327 0.056 -12.000
81 H LEU 13 H LEU 13 -7.645 2.278 -15.353
82 HA LEU 13 HA LEU 13 -6.151 4.573 -14.651
83 HB2 LEU 13 1HB LEU 13 -7.688 5.821 -15.956
84 HB3 LEU 13 2HB LEU 13 -7.457 4.266 -16.735
85 HG LEU 13 HG LEU 13 -9.726 3.768 -15.280
86 HD11 LEU 13 1HD1 LEU 13 -9.910 6.103 -14.507
87 HD12 LEU 13 2HD1 LEU 13 -11.232 5.705 -15.617
88 HD13 LEU 13 3HD1 LEU 13 -9.860 6.678 -16.192
89 HD21 LEU 13 3HD2 LEU 13 -10.917 4.064 -17.415
90 HD22 LEU 13 1HD2 LEU 13 -9.360 3.243 -17.639
91 HD23 LEU 13 2HD2 LEU 13 -9.528 4.965 -18.067
92 H TYR 14 H TYR 14 -9.037 3.191 -13.160
93 HA TYR 14 HA TYR 14 -9.792 5.525 -11.682
94 HB2 TYR 14 1HB TYR 14 -10.186 2.617 -10.922
95 HB3 TYR 14 2HB TYR 14 -11.151 4.001 -10.392
96 HD1 TYR 14 HD1 TYR 14 -12.250 5.408 -12.418
97 HD2 TYR 14 HD2 TYR 14 -10.976 1.305 -12.685
98 HE1 TYR 14 HE1 TYR 14 -13.745 5.063 -14.389
99 HE2 TYR 14 HE2 TYR 14 -12.464 0.976 -14.664
100 HH TYR 14 HH TYR 14 -14.026 1.921 -16.048
101 H GLN 15 H GLN 15 -7.525 2.876 -11.126
102 HA GLN 15 HA GLN 15 -6.996 3.589 -8.365
103 HB2 GLN 15 1HB GLN 15 -5.330 1.955 -10.295
104 HB3 GLN 15 2HB GLN 15 -5.170 2.014 -8.532
105 HG2 GLN 15 1HG GLN 15 -7.814 1.387 -8.794
106 HG3 GLN 15 2HG GLN 15 -7.144 0.593 -10.223
107 HE21 GLN 15 2HE2 GLN 15 -8.001 0.105 -7.144
108 HE22 GLN 15 1HE2 GLN 15 -6.882 -1.158 -6.710
109 H LEU 16 H LEU 16 -5.686 4.383 -11.557
110 HA LEU 16 HA LEU 16 -3.383 5.819 -10.626
111 HB2 LEU 16 1HB LEU 16 -4.959 5.940 -13.200
112 HB3 LEU 16 2HB LEU 16 -3.515 6.899 -12.916
113 HG LEU 16 HG LEU 16 -3.578 3.865 -12.806
114 HD11 LEU 16 1HD1 LEU 16 -2.477 3.950 -15.000
115 HD12 LEU 16 2HD1 LEU 16 -2.665 5.720 -15.034
116 HD13 LEU 16 3HD1 LEU 16 -4.093 4.661 -15.066
117 HD21 LEU 16 3HD2 LEU 16 -1.737 4.843 -11.513
118 HD22 LEU 16 1HD2 LEU 16 -1.277 5.864 -12.896
119 HD23 LEU 16 2HD2 LEU 16 -1.117 4.094 -12.991
120 H GLU 17 H GLU 17 -6.786 6.781 -11.091
121 HA GLU 17 HA GLU 17 -6.410 9.597 -10.983
122 HB2 GLU 17 1HB GLU 17 -8.665 7.819 -10.005
123 HB3 GLU 17 2HB GLU 17 -8.727 9.576 -9.888
124 HG2 GLU 17 1HG GLU 17 -8.542 9.793 -12.303
125 HG3 GLU 17 2HG GLU 17 -8.395 8.042 -12.472
126 HE2 GLU 17 HE2 GLU 17 -11.888 9.719 -12.049
127 H ASN 18 H ASN 18 -6.244 7.184 -8.402
128 HA ASN 18 HA ASN 18 -6.577 8.953 -6.209
129 HB2 ASN 18 1HB ASN 18 -5.003 6.383 -6.443
130 HB3 ASN 18 2HB ASN 18 -5.270 7.238 -4.921
131 HD21 ASN 18 2HD2 ASN 18 -6.314 4.731 -6.672
132 HD22 ASN 18 1HD2 ASN 18 -7.981 4.672 -6.140
133 H TYR 19 H TYR 19 -3.810 8.494 -8.329
134 HA TYR 19 HA TYR 19 -1.784 9.511 -6.530
135 HB2 TYR 19 1HB TYR 19 -2.045 9.299 -9.526
136 HB3 TYR 19 2HB TYR 19 -0.631 10.025 -8.796
137 HD1 TYR 19 HD1 TYR 19 -2.547 6.814 -9.011
138 HD2 TYR 19 HD2 TYR 19 1.155 8.720 -7.947
139 HE1 TYR 19 HE1 TYR 19 -1.450 4.587 -8.845
140 HE2 TYR 19 HE2 TYR 19 2.245 6.485 -7.778
141 HH TYR 19 HH TYR 19 0.484 3.445 -8.410
142 H CYS 20 H CYS 20 -4.284 11.011 -8.499
143 HA CYS 20 HA CYS 20 -3.208 13.698 -7.760
144 HB2 CYS 20 1HB CYS 20 -4.040 14.488 -9.961
145 HB3 CYS 20 2HB CYS 20 -2.698 13.354 -10.073
146 H ASN 21 H ASN 21 -5.086 12.081 -6.352
147 HA ASN 21 HA ASN 21 -7.784 12.844 -7.061
148 HB2 ASN 21 1HB ASN 21 -6.880 10.835 -5.577
149 HB3 ASN 21 2HB ASN 21 -7.087 11.971 -4.252
150 HD21 ASN 21 2HD2 ASN 21 -8.962 11.556 -3.256
151 HD22 ASN 21 1HD2 ASN 21 -10.464 11.198 -4.062
152 HXT ASN 21 H02 ASN 21 -5.600 14.515 -5.790
153 H1 PHE 1 3H0 PHE 1 -9.208 2.718 -21.975
154 H2 PHE 1 2H0 PHE 1 -8.564 1.791 -23.179
155 H3 PHE 1 1H0 PHE 1 -9.203 1.072 -21.842
156 HA PHE 1 HA PHE 1 -6.800 2.774 -21.902
157 HB2 PHE 1 1HB PHE 1 -8.306 2.876 -19.840
158 HB3 PHE 1 2HB PHE 1 -7.928 1.169 -19.581
159 HD1 PHE 1 HD1 PHE 1 -6.509 4.614 -19.695
160 HD2 PHE 1 HD2 PHE 1 -5.799 0.490 -18.651
161 HE1 PHE 1 HE1 PHE 1 -4.434 5.279 -18.494
162 HE2 PHE 1 HE2 PHE 1 -3.726 1.155 -17.441
163 HZ PHE 1 HZ PHE 1 -3.029 3.548 -17.378
164 H VAL 2 H VAL 2 -4.785 1.592 -21.741
165 HA VAL 2 HA VAL 2 -5.104 -1.258 -22.580
166 HB VAL 2 HB VAL 2 -2.688 0.608 -22.831
167 HG11 VAL 2 1HG1 VAL 2 -1.773 -1.183 -24.309
168 HG12 VAL 2 2HG1 VAL 2 -2.014 -1.761 -22.649
169 HG13 VAL 2 3HG1 VAL 2 -3.174 -2.208 -23.924
170 HG21 VAL 2 3HG2 VAL 2 -3.201 0.536 -25.283
171 HG22 VAL 2 1HG2 VAL 2 -4.711 -0.332 -24.920
172 HG23 VAL 2 2HG2 VAL 2 -4.471 1.336 -24.343
173 H ASN 3 H ASN 3 -4.802 -2.720 -21.020
174 HA ASN 3 HA ASN 3 -3.724 -2.030 -18.442
175 HB2 ASN 3 1HB ASN 3 -4.221 -4.711 -19.788
176 HB3 ASN 3 2HB ASN 3 -3.626 -4.537 -18.132
177 HD21 ASN 3 2HD2 ASN 3 -6.106 -5.767 -19.033
178 HD22 ASN 3 1HD2 ASN 3 -7.398 -4.867 -18.275
179 H GLN 4 H GLN 4 -1.695 -1.964 -17.753
180 HA GLN 4 HA GLN 4 0.329 -3.758 -18.800
181 HB2 GLN 4 1HB GLN 4 1.873 -1.960 -19.506
182 HB3 GLN 4 2HB GLN 4 0.417 -1.953 -20.507
183 HG2 GLN 4 1HG GLN 4 -0.484 -0.112 -19.001
184 HG3 GLN 4 2HG GLN 4 1.126 -0.034 -18.281
185 HE21 GLN 4 2HE2 GLN 4 -0.810 0.530 -21.126
186 HE22 GLN 4 1HE2 GLN 4 0.356 1.540 -21.955
187 H HIS 5 H HIS 5 2.005 -3.852 -17.278
188 HA HIS 5 HA HIS 5 1.535 -2.690 -14.642
189 HB2 HIS 5 1HB HIS 5 4.043 -3.950 -15.835
190 HB3 HIS 5 2HB HIS 5 3.799 -3.544 -14.135
191 HD1 HIS 5 HD1 HIS 5 1.153 -4.701 -13.399
192 HD2 HIS 5 HD2 HIS 5 3.736 -6.650 -15.974
193 HE1 HIS 5 HE1 HIS 5 0.490 -7.181 -13.435
194 HE2 HIS 5 HE2 HIS 5 2.102 -8.333 -14.975
195 H LEU 6 H LEU 6 2.605 -0.899 -13.737
196 HA LEU 6 HA LEU 6 3.925 0.899 -15.747
197 HB2 LEU 6 1HB LEU 6 1.774 1.478 -13.697
198 HB3 LEU 6 2HB LEU 6 2.676 2.730 -14.534
199 HG LEU 6 HG LEU 6 0.990 0.686 -15.991
200 HD11 LEU 6 1HD1 LEU 6 0.234 3.464 -15.028
201 HD12 LEU 6 2HD1 LEU 6 -0.432 1.919 -14.441
202 HD13 LEU 6 3HD1 LEU 6 -0.737 2.436 -16.110
203 HD21 LEU 6 3HD2 LEU 6 2.638 1.787 -17.396
204 HD22 LEU 6 1HD2 LEU 6 2.159 3.382 -16.766
205 HD23 LEU 6 2HD2 LEU 6 1.035 2.444 -17.766
206 H CYS 7 H CYS 7 5.956 1.220 -15.120
207 HA CYS 7 HA CYS 7 6.412 2.050 -12.284
208 HB2 CYS 7 1HB CYS 7 8.230 0.333 -14.021
209 HB3 CYS 7 2HB CYS 7 8.653 0.985 -12.437
210 H GLY 8 H GLY 8 8.165 3.574 -12.040
211 HA2 GLY 8 1HA GLY 8 9.455 5.375 -12.684
212 HA3 GLY 8 2HA GLY 8 9.892 4.379 -14.079
213 H SER 9 H SER 9 9.931 5.827 -15.698
214 HA SER 9 HA SER 9 8.202 8.012 -16.015
215 HB2 SER 9 1HB SER 9 9.272 6.615 -18.430
216 HB3 SER 9 2HB SER 9 9.350 8.334 -17.973
217 HG SER 9 HG SER 9 11.384 7.527 -17.664
218 H HIS 10 H HIS 10 7.626 4.606 -16.883
219 HA HIS 10 HA HIS 10 5.497 5.144 -18.761
220 HB2 HIS 10 1HB HIS 10 6.575 2.810 -17.342
221 HB3 HIS 10 2HB HIS 10 4.819 2.754 -17.485
222 HD1 HIS 10 HD1 HIS 10 3.804 2.193 -19.800
223 HD2 HIS 10 HD2 HIS 10 7.959 2.835 -19.873
224 HE1 HIS 10 HE1 HIS 10 4.619 1.526 -22.108
225 HE2 HIS 10 HE2 HIS 10 7.120 1.917 -22.142
226 H LEU 11 H LEU 11 5.621 4.773 -15.214
227 HA LEU 11 HA LEU 11 2.765 4.861 -14.842
228 HB2 LEU 11 1HB LEU 11 4.385 3.991 -13.180
229 HB3 LEU 11 2HB LEU 11 5.044 5.605 -12.974
230 HG LEU 11 HG LEU 11 2.992 6.377 -11.926
231 HD11 LEU 11 1HD1 LEU 11 1.194 4.800 -11.328
232 HD12 LEU 11 2HD1 LEU 11 1.972 3.537 -12.307
233 HD13 LEU 11 3HD1 LEU 11 1.323 5.005 -13.082
234 HD21 LEU 11 3HD2 LEU 11 3.948 3.716 -10.785
235 HD22 LEU 11 1HD2 LEU 11 3.178 5.043 -9.882
236 HD23 LEU 11 2HD2 LEU 11 4.784 5.278 -10.601
237 H VAL 12 H VAL 12 5.352 7.316 -14.853
238 HA VAL 12 HA VAL 12 3.706 9.541 -14.164
239 HB VAL 12 HB VAL 12 6.264 9.398 -15.841
240 HG11 VAL 12 1HG1 VAL 12 5.015 11.799 -14.458
241 HG12 VAL 12 2HG1 VAL 12 6.578 11.769 -15.301
242 HG13 VAL 12 3HG1 VAL 12 5.077 11.531 -16.214
243 HG21 VAL 12 3HG2 VAL 12 5.822 9.962 -12.871
244 HG22 VAL 12 1HG2 VAL 12 6.561 8.503 -13.562
245 HG23 VAL 12 2HG2 VAL 12 7.384 10.063 -13.716
246 H GLU 13 H GLU 13 4.563 8.126 -17.363
247 HA GLU 13 HA GLU 13 3.173 10.111 -18.899
248 HB2 GLU 13 1HB GLU 13 3.987 7.248 -19.450
249 HB3 GLU 13 2HB GLU 13 3.155 8.242 -20.652
250 HG2 GLU 13 1HG GLU 13 5.686 9.246 -19.355
251 HG3 GLU 13 2HG GLU 13 5.754 8.083 -20.686
252 HE2 GLU 13 HE2 GLU 13 4.546 11.787 -21.357
253 H ALA 14 H ALA 14 2.108 7.125 -17.311
254 HA ALA 14 HA ALA 14 -0.459 7.055 -18.631
255 HB1 ALA 14 3HB ALA 14 0.371 5.943 -15.920
256 HB2 ALA 14 1HB ALA 14 -1.066 5.480 -16.861
257 HB3 ALA 14 2HB ALA 14 0.558 5.105 -17.478
258 H LEU 15 H LEU 15 0.802 8.502 -15.617
259 HA LEU 15 HA LEU 15 -1.729 9.438 -14.674
260 HB2 LEU 15 1HB LEU 15 1.113 10.336 -14.161
261 HB3 LEU 15 2HB LEU 15 -0.277 11.080 -13.379
262 HG LEU 15 HG LEU 15 0.467 8.154 -13.104
263 HD11 LEU 15 1HD1 LEU 15 1.214 8.706 -10.869
264 HD12 LEU 15 2HD1 LEU 15 0.812 10.420 -11.122
265 HD13 LEU 15 3HD1 LEU 15 2.125 9.662 -12.054
266 HD21 LEU 15 3HD2 LEU 15 -1.165 8.176 -11.298
267 HD22 LEU 15 1HD2 LEU 15 -1.911 8.545 -12.851
268 HD23 LEU 15 2HD2 LEU 15 -1.583 9.858 -11.702
269 H TYR 16 H TYR 16 0.617 10.875 -16.941
270 HA TYR 16 HA TYR 16 -0.469 13.493 -17.039
271 HB2 TYR 16 1HB TYR 16 0.956 11.713 -18.987
272 HB3 TYR 16 2HB TYR 16 0.090 13.098 -19.643
273 HD1 TYR 16 HD1 TYR 16 0.633 15.440 -18.727
274 HD2 TYR 16 HD2 TYR 16 3.134 12.009 -18.040
275 HE1 TYR 16 HE1 TYR 16 2.554 16.939 -18.181
276 HE2 TYR 16 HE2 TYR 16 5.053 13.516 -17.517
277 HH TYR 16 HH TYR 16 5.771 15.678 -17.306
278 H LEU 17 H LEU 17 -1.500 10.519 -18.740
279 HA LEU 17 HA LEU 17 -3.597 11.869 -20.186
280 HB2 LEU 17 1HB LEU 17 -3.242 8.937 -19.506
281 HB3 LEU 17 2HB LEU 17 -4.388 9.593 -20.667
282 HG LEU 17 HG LEU 17 -1.367 9.820 -20.920
283 HD11 LEU 17 1HD1 LEU 17 -3.310 7.911 -22.276
284 HD12 LEU 17 2HD1 LEU 17 -2.111 7.481 -21.029
285 HD13 LEU 17 3HD1 LEU 17 -1.569 8.055 -22.619
286 HD21 LEU 17 3HD2 LEU 17 -3.614 10.399 -22.897
287 HD22 LEU 17 1HD2 LEU 17 -1.878 10.396 -23.285
288 HD23 LEU 17 2HD2 LEU 17 -2.525 11.591 -22.149
289 H VAL 18 H VAL 18 -3.571 9.919 -17.186
290 HA VAL 18 HA VAL 18 -6.466 9.854 -17.037
291 HB VAL 18 HB VAL 18 -4.319 9.215 -14.956
292 HG11 VAL 18 1HG1 VAL 18 -7.313 8.649 -14.939
293 HG12 VAL 18 2HG1 VAL 18 -6.135 7.924 -13.820
294 HG13 VAL 18 3HG1 VAL 18 -6.407 9.672 -13.796
295 HG21 VAL 18 3HG2 VAL 18 -4.218 7.768 -16.929
296 HG22 VAL 18 1HG2 VAL 18 -4.868 6.863 -15.556
297 HG23 VAL 18 2HG2 VAL 18 -5.962 7.455 -16.825
298 H CYS 19 H CYS 19 -3.937 11.814 -15.449
299 HA CYS 19 HA CYS 19 -5.964 13.212 -13.864
300 HB2 CYS 19 1HB CYS 19 -3.035 13.848 -14.291
301 HB3 CYS 19 2HB CYS 19 -4.085 14.516 -13.030
302 H GLY 20 H GLY 20 -4.439 13.524 -17.008
303 HA2 GLY 20 1HA GLY 20 -4.963 14.957 -18.718
304 HA3 GLY 20 2HA GLY 20 -6.360 15.487 -17.771
305 H GLU 21 H GLU 21 -6.143 17.596 -18.441
306 HA GLU 21 HA GLU 21 -3.741 19.125 -18.281
307 HB2 GLU 21 1HB GLU 21 -6.662 19.960 -18.306
308 HB3 GLU 21 2HB GLU 21 -5.301 21.069 -18.515
309 HG2 GLU 21 1HG GLU 21 -4.613 19.857 -20.553
310 HG3 GLU 21 2HG GLU 21 -5.974 18.743 -20.356
311 HE2 GLU 21 HE2 GLU 21 -6.992 21.197 -22.675
312 H ARG 22 H ARG 22 -5.647 17.994 -15.708
313 HA ARG 22 HA ARG 22 -5.478 20.300 -13.951
314 HB2 ARG 22 1HB ARG 22 -5.759 17.327 -13.361
315 HB3 ARG 22 2HB ARG 22 -5.935 18.614 -12.166
316 HG2 ARG 22 1HG ARG 22 -7.881 19.503 -13.326
317 HG3 ARG 22 2HG ARG 22 -7.703 18.301 -14.621
318 HD2 ARG 22 1HD ARG 22 -8.117 17.583 -11.699
319 HD3 ARG 22 2HD ARG 22 -9.438 17.742 -12.876
320 HE ARG 22 HE ARG 22 -7.544 15.980 -14.003
321 HH11 ARG 22 1HH1 ARG 22 -9.662 15.982 -11.171
322 HH12 ARG 22 2HH1 ARG 22 -9.835 14.249 -11.187
323 HH21 ARG 22 1HH2 ARG 22 -7.848 13.781 -13.981
324 HH22 ARG 22 2HH2 ARG 22 -8.817 13.027 -12.744
325 H GLY 23 H GLY 23 -3.259 17.816 -14.972
326 HA2 GLY 23 1HA GLY 23 -0.980 17.671 -14.478
327 HA3 GLY 23 2HA GLY 23 -1.159 18.963 -13.271
328 H PHE 24 H PHE 24 0.377 17.045 -12.385
329 HA PHE 24 HA PHE 24 -1.103 15.764 -10.243
330 HB2 PHE 24 1HB PHE 24 -0.576 13.464 -10.830
331 HB3 PHE 24 2HB PHE 24 -1.543 14.180 -12.116
332 HD1 PHE 24 HD1 PHE 24 -0.443 14.905 -14.257
333 HD2 PHE 24 HD2 PHE 24 1.613 12.636 -11.248
334 HE1 PHE 24 HE1 PHE 24 1.296 14.296 -15.906
335 HE2 PHE 24 HE2 PHE 24 3.335 11.986 -12.899
336 HZ PHE 24 HZ PHE 24 3.184 12.831 -15.248
337 H PHE 25 H PHE 25 0.611 14.228 -9.104
338 HA PHE 25 HA PHE 25 3.377 15.202 -9.577
339 HB2 PHE 25 1HB PHE 25 3.771 15.453 -7.198
340 HB3 PHE 25 2HB PHE 25 2.417 16.493 -7.656
341 HD1 PHE 25 HD1 PHE 25 0.093 15.899 -6.980
342 HD2 PHE 25 HD2 PHE 25 3.483 13.579 -5.695
343 HE1 PHE 25 HE1 PHE 25 -1.318 14.810 -5.242
344 HE2 PHE 25 HE2 PHE 25 2.082 12.490 -3.948
345 HZ PHE 25 HZ PHE 25 -0.328 13.095 -3.729
346 H TYR 26 H TYR 26 4.919 13.644 -8.453
347 HA TYR 26 HA TYR 26 3.749 10.959 -7.988
348 HB2 TYR 26 1HB TYR 26 4.355 10.875 -10.344
349 HB3 TYR 26 2HB TYR 26 5.931 11.608 -10.005
350 HD1 TYR 26 HD2 TYR 26 3.893 8.633 -8.847
351 HD2 TYR 26 HD1 TYR 26 7.773 10.174 -9.903
352 HE1 TYR 26 HE2 TYR 26 4.905 6.390 -8.441
353 HE2 TYR 26 HE1 TYR 26 8.762 7.919 -9.536
354 HH TYR 26 HH TYR 26 8.401 5.781 -8.915
355 H THR 27 H THR 27 4.946 9.809 -6.483
356 HA THR 27 HA THR 27 7.161 11.339 -5.218
357 HB THR 27 HB THR 27 5.519 11.386 -3.601
358 HG1 THR 27 HG1 THR 27 7.235 10.458 -2.582
359 HG21 THR 27 1HG2 THR 27 3.785 10.117 -4.617
360 HG22 THR 27 2HG2 THR 27 4.118 9.351 -3.050
361 HG23 THR 27 3HG2 THR 27 4.745 8.616 -4.541
362 HA PRO 28 HA PRO 28 9.151 7.475 -6.556
363 HB2 PRO 28 1HB PRO 28 11.628 8.497 -7.022
364 HB3 PRO 28 2HB PRO 28 10.273 8.771 -8.163
365 HG2 PRO 28 1HG PRO 28 11.353 10.577 -6.027
366 HG3 PRO 28 2HG PRO 28 10.934 10.960 -7.724
367 HD2 PRO 28 1HD PRO 28 9.283 11.451 -5.581
368 HD3 PRO 28 2HD PRO 28 8.657 11.111 -7.229
369 H LYS 29 H LYS 29 10.730 6.100 -5.478
370 HA LYS 29 HA LYS 29 11.268 6.933 -2.696
371 HB2 LYS 29 1HB LYS 29 12.107 4.621 -2.376
372 HB3 LYS 29 2HB LYS 29 10.415 4.719 -2.857
373 HG2 LYS 29 1HG LYS 29 11.025 4.036 -5.174
374 HG3 LYS 29 2HG LYS 29 12.722 3.922 -4.677
375 HD2 LYS 29 1HD LYS 29 11.693 2.366 -2.768
376 HD3 LYS 29 2HD LYS 29 10.423 2.138 -3.985
377 HE2 LYS 29 1HE LYS 29 13.414 1.652 -4.346
378 HE3 LYS 29 2HE LYS 29 12.168 0.403 -4.172
379 HZ1 LYS 29 3HZ LYS 29 12.761 0.715 -6.475
380 HZ2 LYS 29 1HZ LYS 29 12.400 2.322 -6.417
381 HZ3 LYS 29 2HZ LYS 29 11.199 1.199 -6.259
382 H THR 30 H THR 30 12.722 8.611 -3.109
383 HA THR 30 HA THR 30 15.232 8.014 -4.528
384 HB THR 30 HB THR 30 15.743 10.430 -3.570
385 HG1 THR 30 HG1 THR 30 13.677 11.474 -3.139
386 HG21 THR 30 1HG2 THR 30 15.182 10.011 -5.974
387 HG22 THR 30 2HG2 THR 30 14.323 11.446 -5.394
388 HG23 THR 30 3HG2 THR 30 13.457 9.911 -5.574
389 HXT THR 30 H02 THR 30 14.447 8.978 -1.474
Start of MODEL 11
1 H1 GLY 1 3H0 GLY 1 2.960 -1.734 -2.163
2 H2 GLY 1 2H0 GLY 1 2.553 -1.535 -0.577
3 H3 GLY 1 1H0 GLY 1 1.377 -1.799 -1.705
4 HA2 GLY 1 1HA GLY 1 1.415 0.518 -1.042
5 HA3 GLY 1 2HA GLY 1 3.107 0.593 -1.574
6 H ILE 2 H ILE 2 0.938 2.255 -2.637
7 HA ILE 2 HA ILE 2 -0.341 1.099 -4.823
8 HB ILE 2 HB ILE 2 -0.953 3.249 -3.725
9 HG12 ILE 2 1HG1 ILE 2 -0.687 3.396 -6.744
10 HG13 ILE 2 2HG1 ILE 2 -1.907 2.469 -5.875
11 HG21 ILE 2 1HG2 ILE 2 0.090 5.360 -4.306
12 HG22 ILE 2 2HG2 ILE 2 1.370 4.280 -3.731
13 HG23 ILE 2 3HG2 ILE 2 1.172 4.581 -5.474
14 HD11 ILE 2 3HD1 ILE 2 -2.916 4.533 -6.629
15 HD12 ILE 2 1HD1 ILE 2 -2.749 4.632 -4.862
16 HD13 ILE 2 2HD1 ILE 2 -1.614 5.510 -5.924
17 H VAL 3 H VAL 3 2.842 2.787 -4.954
18 HA VAL 3 HA VAL 3 3.042 2.523 -7.793
19 HB VAL 3 HB VAL 3 4.436 4.134 -6.644
20 HG11 VAL 3 1HG1 VAL 3 4.723 2.940 -4.473
21 HG12 VAL 3 2HG1 VAL 3 5.870 1.821 -5.258
22 HG13 VAL 3 3HG1 VAL 3 6.257 3.546 -5.123
23 HG21 VAL 3 3HG2 VAL 3 6.265 1.958 -7.745
24 HG22 VAL 3 1HG2 VAL 3 5.303 3.062 -8.747
25 HG23 VAL 3 2HG2 VAL 3 6.575 3.710 -7.691
26 H GLU 4 H GLU 4 4.023 0.366 -5.148
27 HA GLU 4 HA GLU 4 5.400 -1.540 -6.751
28 HB2 GLU 4 1HB GLU 4 5.404 -1.365 -4.240
29 HB3 GLU 4 2HB GLU 4 3.748 -1.961 -4.241
30 HG2 GLU 4 1HG GLU 4 4.562 -4.072 -5.308
31 HG3 GLU 4 2HG GLU 4 6.214 -3.477 -5.087
32 HE2 GLU 4 HE2 GLU 4 5.787 -5.393 -2.249
33 H GLN 5 H GLN 5 1.976 -1.190 -5.789
34 HA GLN 5 HA GLN 5 1.080 -3.631 -6.971
35 HB2 GLN 5 1HB GLN 5 -0.315 -1.040 -6.245
36 HB3 GLN 5 2HB GLN 5 -1.180 -2.445 -6.884
37 HG2 GLN 5 1HG GLN 5 -0.761 -3.744 -4.981
38 HG3 GLN 5 2HG GLN 5 0.618 -2.760 -4.482
39 HE21 GLN 5 2HE2 GLN 5 -2.922 -2.560 -4.935
40 HE22 GLN 5 1HE2 GLN 5 -3.182 -1.491 -3.578
41 H CYS 6 H CYS 6 1.383 -0.295 -8.300
42 HA CYS 6 HA CYS 6 0.134 -1.076 -10.804
43 HB2 CYS 6 1HB CYS 6 1.949 1.278 -10.174
44 HB3 CYS 6 2HB CYS 6 0.990 1.076 -11.642
45 H CYS 7 H CYS 7 3.458 -1.092 -9.565
46 HA CYS 7 HA CYS 7 4.682 -1.457 -12.141
47 HB2 CYS 7 1HB CYS 7 5.590 -2.117 -9.323
48 HB3 CYS 7 2HB CYS 7 6.593 -2.391 -10.750
49 H THR 8 H THR 8 3.678 -3.754 -9.553
50 HA THR 8 HA THR 8 4.551 -5.993 -11.240
51 HB THR 8 HB THR 8 4.907 -5.845 -8.709
52 HG1 THR 8 HG1 THR 8 5.073 -7.794 -9.987
53 HG21 THR 8 1HG2 THR 8 3.171 -6.520 -7.228
54 HG22 THR 8 2HG2 THR 8 2.075 -6.921 -8.564
55 HG23 THR 8 3HG2 THR 8 2.470 -5.222 -8.216
56 H SER 9 H SER 9 1.494 -4.412 -10.527
57 HA SER 9 HA SER 9 0.176 -6.510 -12.169
58 HB2 SER 9 1HB SER 9 -0.137 -6.907 -9.647
59 HB3 SER 9 2HB SER 9 -1.085 -5.404 -9.619
60 HG SER 9 HG SER 9 -2.233 -7.500 -9.964
61 H ILE 10 H ILE 10 -2.434 -5.489 -12.038
62 HA ILE 10 HA ILE 10 -1.919 -3.234 -13.886
63 HB ILE 10 HB ILE 10 -4.474 -4.830 -13.401
64 HG12 ILE 10 1HG1 ILE 10 -2.650 -6.264 -14.258
65 HG13 ILE 10 2HG1 ILE 10 -3.985 -6.090 -15.388
66 HG21 ILE 10 1HG2 ILE 10 -5.161 -3.887 -15.626
67 HG22 ILE 10 2HG2 ILE 10 -4.993 -2.654 -14.369
68 HG23 ILE 10 3HG2 ILE 10 -3.715 -2.842 -15.594
69 HD11 ILE 10 3HD1 ILE 10 -1.391 -4.525 -15.602
70 HD12 ILE 10 1HD1 ILE 10 -1.736 -6.038 -16.465
71 HD13 ILE 10 2HD1 ILE 10 -2.705 -4.592 -16.791
72 H CYS 11 H CYS 11 -2.258 -1.194 -13.360
73 HA CYS 11 HA CYS 11 -4.260 -0.577 -11.226
74 HB2 CYS 11 1HB CYS 11 -1.881 0.942 -12.321
75 HB3 CYS 11 2HB CYS 11 -3.207 1.771 -11.491
76 H SER 12 H SER 12 -6.184 -0.034 -11.961
77 HA SER 12 HA SER 12 -6.638 0.614 -14.776
78 HB2 SER 12 1HB SER 12 -8.990 0.839 -14.048
79 HB3 SER 12 2HB SER 12 -8.287 -0.668 -13.417
80 HG SER 12 HG SER 12 -9.297 0.293 -11.711
81 H LEU 13 H LEU 13 -7.977 2.707 -15.212
82 HA LEU 13 HA LEU 13 -6.402 4.944 -14.517
83 HB2 LEU 13 1HB LEU 13 -8.044 6.279 -15.603
84 HB3 LEU 13 2HB LEU 13 -7.875 4.774 -16.492
85 HG LEU 13 HG LEU 13 -10.013 4.177 -14.880
86 HD11 LEU 13 1HD1 LEU 13 -10.236 7.128 -15.619
87 HD12 LEU 13 2HD1 LEU 13 -10.132 6.466 -13.971
88 HD13 LEU 13 3HD1 LEU 13 -11.547 6.112 -14.978
89 HD21 LEU 13 3HD2 LEU 13 -10.066 5.526 -17.604
90 HD22 LEU 13 1HD2 LEU 13 -11.382 4.567 -16.885
91 HD23 LEU 13 2HD2 LEU 13 -9.843 3.786 -17.289
92 H TYR 14 H TYR 14 -9.161 3.517 -12.833
93 HA TYR 14 HA TYR 14 -9.709 5.795 -11.170
94 HB2 TYR 14 1HB TYR 14 -10.189 2.877 -10.504
95 HB3 TYR 14 2HB TYR 14 -11.078 4.284 -9.905
96 HD1 TYR 14 HD2 TYR 14 -12.461 5.649 -11.625
97 HD2 TYR 14 HD1 TYR 14 -10.844 1.755 -12.486
98 HE1 TYR 14 HE2 TYR 14 -14.048 5.405 -13.536
99 HE2 TYR 14 HE1 TYR 14 -12.418 1.533 -14.416
100 HH TYR 14 HH TYR 14 -14.794 4.058 -15.233
101 H GLN 15 H GLN 15 -7.605 2.935 -10.849
102 HA GLN 15 HA GLN 15 -6.801 3.487 -8.133
103 HB2 GLN 15 1HB GLN 15 -5.397 1.964 -10.360
104 HB3 GLN 15 2HB GLN 15 -4.912 1.944 -8.664
105 HG2 GLN 15 1HG GLN 15 -7.657 1.024 -9.598
106 HG3 GLN 15 2HG GLN 15 -6.257 -0.053 -9.500
107 HE21 GLN 15 2HE2 GLN 15 -6.085 -1.185 -7.692
108 HE22 GLN 15 1HE2 GLN 15 -6.724 -0.710 -6.137
109 H LEU 16 H LEU 16 -5.663 4.380 -11.355
110 HA LEU 16 HA LEU 16 -3.272 5.690 -10.481
111 HB2 LEU 16 1HB LEU 16 -4.916 5.884 -13.004
112 HB3 LEU 16 2HB LEU 16 -3.391 6.739 -12.779
113 HG LEU 16 HG LEU 16 -3.653 3.726 -12.509
114 HD11 LEU 16 1HD1 LEU 16 -2.672 5.266 -14.924
115 HD12 LEU 16 2HD1 LEU 16 -4.268 4.491 -14.789
116 HD13 LEU 16 3HD1 LEU 16 -2.804 3.500 -14.737
117 HD21 LEU 16 3HD2 LEU 16 -1.242 5.552 -12.861
118 HD22 LEU 16 1HD2 LEU 16 -1.194 3.774 -12.876
119 HD23 LEU 16 2HD2 LEU 16 -1.673 4.630 -11.403
120 H GLU 17 H GLU 17 -6.636 6.839 -10.804
121 HA GLU 17 HA GLU 17 -6.068 9.624 -10.693
122 HB2 GLU 17 1HB GLU 17 -8.420 7.965 -9.767
123 HB3 GLU 17 2HB GLU 17 -8.368 9.704 -9.490
124 HG2 GLU 17 1HG GLU 17 -7.974 8.604 -12.262
125 HG3 GLU 17 2HG GLU 17 -9.591 8.790 -11.584
126 HE2 GLU 17 HE2 GLU 17 -7.404 12.057 -12.187
127 H ASN 18 H ASN 18 -5.883 7.211 -8.148
128 HA ASN 18 HA ASN 18 -6.096 8.946 -5.898
129 HB2 ASN 18 1HB ASN 18 -4.520 6.386 -6.300
130 HB3 ASN 18 2HB ASN 18 -4.686 7.201 -4.742
131 HD21 ASN 18 2HD2 ASN 18 -5.837 4.724 -6.487
132 HD22 ASN 18 1HD2 ASN 18 -7.452 4.623 -5.821
133 H TYR 19 H TYR 19 -3.483 8.518 -8.211
134 HA TYR 19 HA TYR 19 -1.372 9.594 -6.526
135 HB2 TYR 19 1HB TYR 19 -1.738 9.275 -9.505
136 HB3 TYR 19 2HB TYR 19 -0.301 9.999 -8.822
137 HD1 TYR 19 HD1 TYR 19 -2.194 6.812 -9.106
138 HD2 TYR 19 HD2 TYR 19 1.436 8.700 -7.795
139 HE1 TYR 19 HE1 TYR 19 -1.105 4.583 -8.913
140 HE2 TYR 19 HE2 TYR 19 2.510 6.462 -7.596
141 HH TYR 19 HH TYR 19 2.291 4.232 -7.935
142 H CYS 20 H CYS 20 -4.014 11.016 -8.343
143 HA CYS 20 HA CYS 20 -2.685 13.624 -8.626
144 HB2 CYS 20 1HB CYS 20 -5.574 12.794 -9.071
145 HB3 CYS 20 2HB CYS 20 -4.873 14.361 -9.478
146 H ASN 21 H ASN 21 -2.270 13.475 -6.191
147 HA ASN 21 HA ASN 21 -4.493 14.022 -4.402
148 HB2 ASN 21 1HB ASN 21 -2.425 13.013 -3.534
149 HB3 ASN 21 2HB ASN 21 -1.483 14.409 -4.055
150 HD21 ASN 21 2HD2 ASN 21 -4.107 13.371 -1.899
151 HD22 ASN 21 1HD2 ASN 21 -3.868 14.650 -0.739
152 HXT ASN 21 H02 ASN 21 -4.749 17.331 -4.337
153 H1 PHE 1 3H0 PHE 1 -9.607 4.131 -21.998
154 H2 PHE 1 2H0 PHE 1 -9.149 3.050 -23.157
155 H3 PHE 1 1H0 PHE 1 -10.026 2.540 -21.861
156 HA PHE 1 HA PHE 1 -7.270 3.582 -21.779
157 HB2 PHE 1 1HB PHE 1 -8.817 4.094 -19.809
158 HB3 PHE 1 2HB PHE 1 -8.895 2.352 -19.523
159 HD1 PHE 1 HD2 PHE 1 -6.610 5.304 -19.637
160 HD2 PHE 1 HD1 PHE 1 -7.096 1.201 -18.406
161 HE1 PHE 1 HE2 PHE 1 -4.493 5.447 -18.340
162 HE2 PHE 1 HE1 PHE 1 -4.974 1.342 -17.103
163 HZ PHE 1 HZ PHE 1 -3.665 3.463 -17.084
164 H VAL 2 H VAL 2 -5.651 1.895 -21.285
165 HA VAL 2 HA VAL 2 -6.642 -0.848 -21.976
166 HB VAL 2 HB VAL 2 -4.008 0.459 -22.853
167 HG11 VAL 2 1HG1 VAL 2 -3.720 -1.953 -22.472
168 HG12 VAL 2 2HG1 VAL 2 -5.174 -2.308 -23.437
169 HG13 VAL 2 3HG1 VAL 2 -3.726 -1.626 -24.214
170 HG21 VAL 2 3HG2 VAL 2 -4.953 0.216 -25.168
171 HG22 VAL 2 1HG2 VAL 2 -6.508 -0.264 -24.450
172 HG23 VAL 2 2HG2 VAL 2 -5.856 1.367 -24.169
173 H ASN 3 H ASN 3 -6.058 -2.394 -20.561
174 HA ASN 3 HA ASN 3 -4.668 -1.706 -18.129
175 HB2 ASN 3 1HB ASN 3 -4.535 -4.286 -17.932
176 HB3 ASN 3 2HB ASN 3 -6.145 -3.525 -17.876
177 HD21 ASN 3 2HD2 ASN 3 -4.426 -6.036 -19.167
178 HD22 ASN 3 1HD2 ASN 3 -5.431 -6.373 -20.554
179 H GLN 4 H GLN 4 -2.574 -1.668 -17.686
180 HA GLN 4 HA GLN 4 -0.768 -3.588 -18.880
181 HB2 GLN 4 1HB GLN 4 0.814 -1.900 -19.755
182 HB3 GLN 4 2HB GLN 4 -0.713 -1.865 -20.639
183 HG2 GLN 4 1HG GLN 4 -1.409 0.101 -19.210
184 HG3 GLN 4 2HG GLN 4 0.232 0.115 -18.551
185 HE21 GLN 4 2HE2 GLN 4 -1.724 0.533 -21.441
186 HE22 GLN 4 1HE2 GLN 4 -0.543 1.470 -22.326
187 H HIS 5 H HIS 5 1.029 -3.781 -17.554
188 HA HIS 5 HA HIS 5 0.923 -2.655 -14.874
189 HB2 HIS 5 1HB HIS 5 3.282 -3.914 -16.344
190 HB3 HIS 5 2HB HIS 5 3.148 -3.649 -14.603
191 HD1 HIS 5 HD1 HIS 5 0.490 -4.791 -13.861
192 HD2 HIS 5 HD2 HIS 5 2.957 -6.599 -16.656
193 HE1 HIS 5 HE1 HIS 5 -0.216 -7.253 -14.008
194 HE2 HIS 5 HE2 HIS 5 1.319 -8.328 -15.696
195 H LEU 6 H LEU 6 2.184 -0.936 -14.040
196 HA LEU 6 HA LEU 6 3.542 0.784 -16.086
197 HB2 LEU 6 1HB LEU 6 1.404 1.550 -14.076
198 HB3 LEU 6 2HB LEU 6 2.422 2.723 -14.901
199 HG LEU 6 HG LEU 6 0.622 0.796 -16.384
200 HD11 LEU 6 1HD1 LEU 6 -0.938 2.712 -16.579
201 HD12 LEU 6 2HD1 LEU 6 0.065 3.612 -15.415
202 HD13 LEU 6 3HD1 LEU 6 -0.763 2.118 -14.918
203 HD21 LEU 6 3HD2 LEU 6 2.375 1.729 -17.771
204 HD22 LEU 6 1HD2 LEU 6 2.040 3.371 -17.163
205 HD23 LEU 6 2HD2 LEU 6 0.851 2.532 -18.180
206 H CYS 7 H CYS 7 5.567 1.155 -15.418
207 HA CYS 7 HA CYS 7 5.999 1.766 -12.544
208 HB2 CYS 7 1HB CYS 7 6.428 -0.747 -13.273
209 HB3 CYS 7 2HB CYS 7 7.904 -0.079 -13.978
210 H GLY 8 H GLY 8 8.109 2.833 -12.200
211 HA2 GLY 8 1HA GLY 8 9.685 4.418 -12.782
212 HA3 GLY 8 2HA GLY 8 9.856 3.529 -14.307
213 H SER 9 H SER 9 10.033 5.236 -15.699
214 HA SER 9 HA SER 9 8.504 7.595 -15.637
215 HB2 SER 9 1HB SER 9 9.388 6.353 -18.231
216 HB3 SER 9 2HB SER 9 9.503 8.046 -17.688
217 HG SER 9 HG SER 9 11.539 7.198 -17.509
218 H HIS 10 H HIS 10 7.636 4.399 -16.922
219 HA HIS 10 HA HIS 10 5.543 5.284 -18.662
220 HB2 HIS 10 1HB HIS 10 6.505 2.769 -17.584
221 HB3 HIS 10 2HB HIS 10 4.740 2.812 -17.557
222 HD1 HIS 10 HD1 HIS 10 3.480 2.853 -19.870
223 HD2 HIS 10 HD2 HIS 10 7.664 2.743 -20.142
224 HE1 HIS 10 HE1 HIS 10 4.049 2.340 -22.297
225 HE2 HIS 10 HE2 HIS 10 6.575 2.290 -22.449
226 H LEU 11 H LEU 11 5.645 4.725 -15.162
227 HA LEU 11 HA LEU 11 2.792 4.788 -14.782
228 HB2 LEU 11 1HB LEU 11 4.440 3.916 -13.130
229 HB3 LEU 11 2HB LEU 11 5.061 5.546 -12.908
230 HG LEU 11 HG LEU 11 2.889 6.250 -11.953
231 HD11 LEU 11 1HD1 LEU 11 1.366 4.665 -13.014
232 HD12 LEU 11 2HD1 LEU 11 1.277 4.487 -11.254
233 HD13 LEU 11 3HD1 LEU 11 2.185 3.298 -12.216
234 HD21 LEU 11 3HD2 LEU 11 3.199 5.071 -9.835
235 HD22 LEU 11 1HD2 LEU 11 4.772 5.455 -10.556
236 HD23 LEU 11 2HD2 LEU 11 4.130 3.793 -10.653
237 H VAL 12 H VAL 12 5.363 7.257 -14.697
238 HA VAL 12 HA VAL 12 3.648 9.424 -13.953
239 HB VAL 12 HB VAL 12 6.289 9.474 -15.493
240 HG11 VAL 12 1HG1 VAL 12 4.946 11.632 -13.835
241 HG12 VAL 12 2HG1 VAL 12 6.534 11.751 -14.624
242 HG13 VAL 12 3HG1 VAL 12 5.066 11.608 -15.608
243 HG21 VAL 12 3HG2 VAL 12 6.594 8.271 -13.395
244 HG22 VAL 12 1HG2 VAL 12 7.304 9.887 -13.231
245 HG23 VAL 12 2HG2 VAL 12 5.722 9.537 -12.497
246 H GLU 13 H GLU 13 4.752 8.154 -17.113
247 HA GLU 13 HA GLU 13 3.572 10.179 -18.739
248 HB2 GLU 13 1HB GLU 13 4.201 7.255 -19.212
249 HB3 GLU 13 2HB GLU 13 3.551 8.300 -20.479
250 HG2 GLU 13 1HG GLU 13 5.492 9.742 -20.373
251 HG3 GLU 13 2HG GLU 13 6.131 8.855 -18.988
252 HE2 GLU 13 HE2 GLU 13 7.172 7.766 -22.460
253 H ALA 14 H ALA 14 2.259 7.222 -17.280
254 HA ALA 14 HA ALA 14 -0.210 7.295 -18.765
255 HB1 ALA 14 3HB ALA 14 0.645 5.260 -17.696
256 HB2 ALA 14 1HB ALA 14 0.464 6.009 -16.093
257 HB3 ALA 14 2HB ALA 14 -0.976 5.667 -17.085
258 H LEU 15 H LEU 15 0.870 8.670 -15.654
259 HA LEU 15 HA LEU 15 -1.736 9.404 -14.750
260 HB2 LEU 15 1HB LEU 15 1.026 10.460 -14.130
261 HB3 LEU 15 2HB LEU 15 -0.424 11.083 -13.349
262 HG LEU 15 HG LEU 15 0.459 8.186 -13.214
263 HD11 LEU 15 1HD1 LEU 15 0.721 10.372 -11.135
264 HD12 LEU 15 2HD1 LEU 15 2.058 9.683 -12.085
265 HD13 LEU 15 3HD1 LEU 15 1.167 8.660 -10.939
266 HD21 LEU 15 3HD2 LEU 15 -1.182 8.063 -11.390
267 HD22 LEU 15 1HD2 LEU 15 -1.932 8.443 -12.943
268 HD23 LEU 15 2HD2 LEU 15 -1.681 9.733 -11.747
269 H TYR 16 H TYR 16 0.500 11.040 -16.973
270 HA TYR 16 HA TYR 16 -0.833 13.578 -16.999
271 HB2 TYR 16 1HB TYR 16 0.685 12.038 -19.134
272 HB3 TYR 16 2HB TYR 16 -0.066 13.600 -19.460
273 HD1 TYR 16 HD1 TYR 16 0.660 15.648 -18.127
274 HD2 TYR 16 HD2 TYR 16 2.827 11.939 -18.046
275 HE1 TYR 16 HE1 TYR 16 2.667 16.834 -17.236
276 HE2 TYR 16 HE2 TYR 16 4.842 13.140 -17.192
277 HH TYR 16 HH TYR 16 4.841 16.639 -16.539
278 H LEU 17 H LEU 17 -1.467 10.518 -18.740
279 HA LEU 17 HA LEU 17 -3.608 11.647 -20.317
280 HB2 LEU 17 1HB LEU 17 -3.078 8.765 -19.544
281 HB3 LEU 17 2HB LEU 17 -4.165 9.326 -20.805
282 HG LEU 17 HG LEU 17 -1.151 9.723 -20.831
283 HD11 LEU 17 1HD1 LEU 17 -1.113 7.886 -22.462
284 HD12 LEU 17 2HD1 LEU 17 -2.868 7.658 -22.267
285 HD13 LEU 17 3HD1 LEU 17 -1.765 7.338 -20.904
286 HD21 LEU 17 3HD2 LEU 17 -3.264 10.094 -22.998
287 HD22 LEU 17 1HD2 LEU 17 -1.504 10.198 -23.245
288 HD23 LEU 17 2HD2 LEU 17 -2.322 11.379 -22.208
289 H VAL 18 H VAL 18 -3.473 9.828 -17.258
290 HA VAL 18 HA VAL 18 -6.317 9.392 -17.120
291 HB VAL 18 HB VAL 18 -4.144 9.329 -14.973
292 HG11 VAL 18 1HG1 VAL 18 -6.259 9.672 -13.843
293 HG12 VAL 18 2HG1 VAL 18 -7.049 8.420 -14.830
294 HG13 VAL 18 3HG1 VAL 18 -5.792 7.978 -13.650
295 HG21 VAL 18 3HG2 VAL 18 -3.947 7.674 -16.817
296 HG22 VAL 18 1HG2 VAL 18 -4.277 6.923 -15.254
297 HG23 VAL 18 2HG2 VAL 18 -5.581 7.091 -16.448
298 H CYS 19 H CYS 19 -4.153 11.843 -15.641
299 HA CYS 19 HA CYS 19 -6.532 13.085 -14.441
300 HB2 CYS 19 1HB CYS 19 -3.746 13.095 -13.858
301 HB3 CYS 19 2HB CYS 19 -4.278 14.771 -14.124
302 H GLY 20 H GLY 20 -4.667 13.419 -17.372
303 HA2 GLY 20 1HA GLY 20 -5.014 14.833 -19.148
304 HA3 GLY 20 2HA GLY 20 -6.589 15.222 -18.438
305 H GLU 21 H GLU 21 -6.653 17.344 -18.765
306 HA GLU 21 HA GLU 21 -4.543 19.198 -18.545
307 HB2 GLU 21 1HB GLU 21 -6.657 19.553 -19.734
308 HB3 GLU 21 2HB GLU 21 -7.549 19.543 -18.219
309 HG2 GLU 21 1HG GLU 21 -5.361 21.582 -18.665
310 HG3 GLU 21 2HG GLU 21 -6.954 21.815 -19.399
311 HE2 GLU 21 HE2 GLU 21 -6.801 23.379 -16.157
312 H ARG 22 H ARG 22 -6.435 17.741 -15.971
313 HA ARG 22 HA ARG 22 -6.178 19.831 -14.029
314 HB2 ARG 22 1HB ARG 22 -6.389 16.819 -13.702
315 HB3 ARG 22 2HB ARG 22 -6.530 17.974 -12.377
316 HG2 ARG 22 1HG ARG 22 -8.527 18.940 -13.327
317 HG3 ARG 22 2HG ARG 22 -8.372 17.957 -14.795
318 HD2 ARG 22 1HD ARG 22 -8.673 16.772 -12.019
319 HD3 ARG 22 2HD ARG 22 -10.045 17.116 -13.093
320 HE ARG 22 HE ARG 22 -8.212 15.597 -14.596
321 HH11 ARG 22 1HH1 ARG 22 -10.170 15.070 -11.692
322 HH12 ARG 22 2HH1 ARG 22 -10.313 13.354 -12.002
323 HH21 ARG 22 1HH2 ARG 22 -8.501 13.413 -14.930
324 HH22 ARG 22 2HH2 ARG 22 -9.397 12.452 -13.776
325 H GLY 23 H GLY 23 -3.908 17.389 -15.150
326 HA2 GLY 23 1HA GLY 23 -1.642 17.233 -14.685
327 HA3 GLY 23 2HA GLY 23 -1.778 18.655 -13.636
328 H PHE 24 H PHE 24 -0.144 17.004 -12.599
329 HA PHE 24 HA PHE 24 -1.373 15.954 -10.198
330 HB2 PHE 24 1HB PHE 24 -0.737 13.640 -10.458
331 HB3 PHE 24 2HB PHE 24 -1.785 14.050 -11.818
332 HD1 PHE 24 HD2 PHE 24 -0.720 14.583 -14.067
333 HD2 PHE 24 HD1 PHE 24 1.470 12.838 -10.813
334 HE1 PHE 24 HE2 PHE 24 1.053 13.881 -15.639
335 HE2 PHE 24 HE1 PHE 24 3.254 12.112 -12.397
336 HZ PHE 24 HZ PHE 24 3.044 12.653 -14.825
337 H PHE 25 H PHE 25 0.638 14.800 -9.004
338 HA PHE 25 HA PHE 25 3.224 15.729 -10.094
339 HB2 PHE 25 1HB PHE 25 3.964 16.623 -7.961
340 HB3 PHE 25 2HB PHE 25 2.522 17.499 -8.488
341 HD1 PHE 25 HD1 PHE 25 0.385 17.248 -7.294
342 HD2 PHE 25 HD2 PHE 25 3.918 15.161 -6.010
343 HE1 PHE 25 HE1 PHE 25 -0.703 16.751 -5.120
344 HE2 PHE 25 HE2 PHE 25 2.837 14.658 -3.826
345 HZ PHE 25 HZ PHE 25 0.524 15.474 -3.366
346 H TYR 26 H TYR 26 5.011 14.552 -8.860
347 HA TYR 26 HA TYR 26 4.069 12.041 -7.576
348 HB2 TYR 26 1HB TYR 26 4.344 11.550 -10.000
349 HB3 TYR 26 2HB TYR 26 6.008 12.151 -9.919
350 HD1 TYR 26 HD1 TYR 26 3.693 9.471 -8.774
351 HD2 TYR 26 HD2 TYR 26 7.775 10.815 -8.915
352 HE1 TYR 26 HE1 TYR 26 4.462 7.233 -8.006
353 HE2 TYR 26 HE2 TYR 26 8.539 8.565 -8.152
354 HH TYR 26 HH TYR 26 7.919 6.455 -7.538
355 H THR 27 H THR 27 5.442 11.431 -5.941
356 HA THR 27 HA THR 27 7.875 13.122 -5.594
357 HB THR 27 HB THR 27 7.412 12.680 -3.101
358 HG1 THR 27 HG1 THR 27 5.092 12.379 -2.780
359 HG21 THR 27 1HG2 THR 27 5.434 14.332 -4.713
360 HG22 THR 27 2HG2 THR 27 7.067 14.858 -4.246
361 HG23 THR 27 3HG2 THR 27 5.839 14.556 -2.996
362 HA PRO 28 HA PRO 28 9.532 8.906 -5.422
363 HB2 PRO 28 1HB PRO 28 12.071 9.467 -6.241
364 HB3 PRO 28 2HB PRO 28 10.723 9.298 -7.413
365 HG2 PRO 28 1HG PRO 28 11.901 11.796 -6.223
366 HG3 PRO 28 2HG PRO 28 11.561 11.419 -7.942
367 HD2 PRO 28 1HD PRO 28 9.864 12.888 -6.402
368 HD3 PRO 28 2HD PRO 28 9.267 11.778 -7.681
369 H LYS 29 H LYS 29 11.014 8.045 -3.813
370 HA LYS 29 HA LYS 29 12.190 10.056 -1.952
371 HB2 LYS 29 1HB LYS 29 10.497 7.670 -1.115
372 HB3 LYS 29 2HB LYS 29 11.408 8.728 -0.026
373 HG2 LYS 29 1HG LYS 29 10.002 10.657 -0.975
374 HG3 LYS 29 2HG LYS 29 8.958 9.414 -1.678
375 HD2 LYS 29 1HD LYS 29 9.603 9.686 1.294
376 HD3 LYS 29 2HD LYS 29 8.143 10.299 0.508
377 HE2 LYS 29 1HE LYS 29 7.310 8.311 1.267
378 HE3 LYS 29 2HE LYS 29 7.918 7.766 -0.306
379 HZ1 LYS 29 3HZ LYS 29 9.934 6.998 0.828
380 HZ2 LYS 29 1HZ LYS 29 8.602 6.287 1.494
381 HZ3 LYS 29 2HZ LYS 29 9.360 7.521 2.283
382 H THR 30 H THR 30 14.290 9.640 -1.872
383 HA THR 30 HA THR 30 15.355 7.057 -2.700
384 HB THR 30 HB THR 30 17.556 8.281 -2.094
385 HG1 THR 30 HG1 THR 30 16.779 9.753 -0.612
386 HG21 THR 30 1HG2 THR 30 17.343 9.876 -4.016
387 HG22 THR 30 2HG2 THR 30 15.581 9.712 -3.999
388 HG23 THR 30 3HG2 THR 30 16.601 8.326 -4.437
389 HXT THR 30 H02 THR 30 14.269 6.091 -1.216
Start of MODEL 12
1 H1 GLY 1 3H0 GLY 1 0.682 -1.451 -0.248
2 H2 GLY 1 2H0 GLY 1 -0.490 -1.428 -1.408
3 H3 GLY 1 1H0 GLY 1 1.032 -1.935 -1.786
4 HA2 GLY 1 1HA GLY 1 0.298 0.794 -0.959
5 HA3 GLY 1 2HA GLY 1 1.932 0.251 -1.390
6 H ILE 2 H ILE 2 -0.003 2.303 -2.613
7 HA ILE 2 HA ILE 2 -1.179 1.225 -4.909
8 HB ILE 2 HB ILE 2 -1.686 3.426 -3.836
9 HG12 ILE 2 1HG1 ILE 2 -1.152 3.583 -6.817
10 HG13 ILE 2 2HG1 ILE 2 -2.496 2.706 -6.083
11 HG21 ILE 2 1HG2 ILE 2 0.690 4.555 -5.407
12 HG22 ILE 2 2HG2 ILE 2 -0.401 5.430 -4.314
13 HG23 ILE 2 3HG2 ILE 2 0.727 4.236 -3.656
14 HD11 ILE 2 3HD1 ILE 2 -2.017 5.707 -5.961
15 HD12 ILE 2 1HD1 ILE 2 -3.270 4.850 -6.874
16 HD13 ILE 2 2HD1 ILE 2 -3.319 4.848 -5.099
17 H VAL 3 H VAL 3 2.135 2.538 -4.614
18 HA VAL 3 HA VAL 3 2.629 2.466 -7.420
19 HB VAL 3 HB VAL 3 3.999 3.801 -5.893
20 HG11 VAL 3 1HG1 VAL 3 5.121 1.179 -4.818
21 HG12 VAL 3 2HG1 VAL 3 5.650 2.818 -4.386
22 HG13 VAL 3 3HG1 VAL 3 4.020 2.280 -3.940
23 HG21 VAL 3 3HG2 VAL 3 5.649 1.663 -7.309
24 HG22 VAL 3 1HG2 VAL 3 4.951 3.114 -8.064
25 HG23 VAL 3 2HG2 VAL 3 6.213 3.276 -6.819
26 H GLU 4 H GLU 4 2.873 -0.043 -4.909
27 HA GLU 4 HA GLU 4 4.293 -1.917 -6.575
28 HB2 GLU 4 1HB GLU 4 2.416 -2.355 -4.221
29 HB3 GLU 4 2HB GLU 4 3.371 -3.626 -4.986
30 HG2 GLU 4 1HG GLU 4 5.435 -2.454 -4.395
31 HG3 GLU 4 2HG GLU 4 4.494 -1.164 -3.625
32 HE2 GLU 4 HE2 GLU 4 3.462 -3.385 -1.083
33 H GLN 5 H GLN 5 0.850 -1.274 -5.901
34 HA GLN 5 HA GLN 5 -0.210 -3.447 -7.392
35 HB2 GLN 5 1HB GLN 5 -1.324 -0.712 -6.696
36 HB3 GLN 5 2HB GLN 5 -2.285 -1.991 -7.454
37 HG2 GLN 5 1HG GLN 5 -2.145 -3.391 -5.552
38 HG3 GLN 5 2HG GLN 5 -0.789 -2.488 -4.868
39 HE21 GLN 5 2HE2 GLN 5 -4.252 -2.265 -5.619
40 HE22 GLN 5 1HE2 GLN 5 -4.612 -1.134 -4.334
41 H CYS 6 H CYS 6 0.854 -0.205 -8.422
42 HA CYS 6 HA CYS 6 -0.125 -0.653 -11.147
43 HB2 CYS 6 1HB CYS 6 1.681 1.474 -9.955
44 HB3 CYS 6 2HB CYS 6 1.100 1.462 -11.622
45 H CYS 7 H CYS 7 2.870 -1.275 -9.398
46 HA CYS 7 HA CYS 7 4.437 -1.338 -11.870
47 HB2 CYS 7 1HB CYS 7 4.974 -1.292 -9.004
48 HB3 CYS 7 2HB CYS 7 5.957 -2.496 -9.834
49 H THR 8 H THR 8 3.709 -3.761 -9.288
50 HA THR 8 HA THR 8 4.879 -5.832 -10.986
51 HB THR 8 HB THR 8 5.103 -5.695 -8.437
52 HG1 THR 8 HG1 THR 8 4.236 -8.071 -9.748
53 HG21 THR 8 1HG2 THR 8 2.620 -5.430 -7.998
54 HG22 THR 8 2HG2 THR 8 3.428 -6.698 -7.064
55 HG23 THR 8 3HG2 THR 8 2.430 -7.129 -8.471
56 H SER 9 H SER 9 1.781 -4.479 -10.486
57 HA SER 9 HA SER 9 0.686 -6.521 -12.327
58 HB2 SER 9 1HB SER 9 -0.753 -5.513 -9.793
59 HB3 SER 9 2HB SER 9 -1.432 -6.627 -11.000
60 HG SER 9 HG SER 9 -0.625 -7.802 -9.256
61 H ILE 10 H ILE 10 -1.950 -5.319 -12.392
62 HA ILE 10 HA ILE 10 -1.130 -2.724 -13.622
63 HB ILE 10 HB ILE 10 -3.307 -4.601 -14.583
64 HG12 ILE 10 1HG1 ILE 10 -0.468 -4.080 -15.534
65 HG13 ILE 10 2HG1 ILE 10 -1.098 -5.585 -14.864
66 HG21 ILE 10 1HG2 ILE 10 -2.082 -2.112 -15.884
67 HG22 ILE 10 2HG2 ILE 10 -3.440 -3.085 -16.495
68 HG23 ILE 10 3HG2 ILE 10 -3.642 -2.125 -15.031
69 HD11 ILE 10 3HD1 ILE 10 -1.601 -4.378 -17.529
70 HD12 ILE 10 1HD1 ILE 10 -0.918 -5.959 -17.118
71 HD13 ILE 10 2HD1 ILE 10 -2.651 -5.649 -16.852
72 H CYS 11 H CYS 11 -1.866 -1.095 -12.427
73 HA CYS 11 HA CYS 11 -4.374 -1.395 -10.907
74 HB2 CYS 11 1HB CYS 11 -3.841 0.826 -10.047
75 HB3 CYS 11 2HB CYS 11 -2.450 -0.244 -9.889
76 H SER 12 H SER 12 -6.257 -0.149 -11.399
77 HA SER 12 HA SER 12 -6.553 0.320 -14.277
78 HB2 SER 12 1HB SER 12 -8.907 0.631 -13.777
79 HB3 SER 12 2HB SER 12 -8.315 -0.787 -12.886
80 HG SER 12 HG SER 12 -9.409 0.364 -11.401
81 H LEU 13 H LEU 13 -7.786 2.373 -14.981
82 HA LEU 13 HA LEU 13 -6.204 4.645 -14.355
83 HB2 LEU 13 1HB LEU 13 -7.684 5.899 -15.727
84 HB3 LEU 13 2HB LEU 13 -7.452 4.320 -16.456
85 HG LEU 13 HG LEU 13 -9.774 3.865 -15.112
86 HD11 LEU 13 1HD1 LEU 13 -9.968 6.184 -14.291
87 HD12 LEU 13 2HD1 LEU 13 -11.245 5.830 -15.466
88 HD13 LEU 13 3HD1 LEU 13 -9.836 6.798 -15.955
89 HD21 LEU 13 3HD2 LEU 13 -9.316 3.402 -17.483
90 HD22 LEU 13 1HD2 LEU 13 -9.480 5.135 -17.861
91 HD23 LEU 13 2HD2 LEU 13 -10.884 4.209 -17.281
92 H TYR 14 H TYR 14 -9.160 3.408 -12.887
93 HA TYR 14 HA TYR 14 -9.880 5.793 -11.485
94 HB2 TYR 14 1HB TYR 14 -10.330 2.936 -10.592
95 HB3 TYR 14 2HB TYR 14 -11.302 4.355 -10.192
96 HD1 TYR 14 HD2 TYR 14 -12.334 5.622 -12.337
97 HD2 TYR 14 HD1 TYR 14 -11.039 1.517 -12.298
98 HE1 TYR 14 HE2 TYR 14 -13.753 5.150 -14.336
99 HE2 TYR 14 HE1 TYR 14 -12.454 1.057 -14.309
100 HH TYR 14 HH TYR 14 -13.953 1.913 -15.818
101 H GLN 15 H GLN 15 -7.701 3.091 -10.793
102 HA GLN 15 HA GLN 15 -7.121 3.905 -8.072
103 HB2 GLN 15 1HB GLN 15 -5.549 2.176 -9.994
104 HB3 GLN 15 2HB GLN 15 -5.247 2.360 -8.260
105 HG2 GLN 15 1HG GLN 15 -7.808 1.695 -8.106
106 HG3 GLN 15 2HG GLN 15 -7.467 0.937 -9.667
107 HE21 GLN 15 2HE2 GLN 15 -7.213 0.740 -6.300
108 HE22 GLN 15 1HE2 GLN 15 -6.207 -0.670 -6.221
109 H LEU 16 H LEU 16 -5.736 4.508 -11.299
110 HA LEU 16 HA LEU 16 -3.417 5.905 -10.428
111 HB2 LEU 16 1HB LEU 16 -5.004 5.988 -12.985
112 HB3 LEU 16 2HB LEU 16 -3.583 6.993 -12.742
113 HG LEU 16 HG LEU 16 -3.551 3.967 -12.496
114 HD11 LEU 16 1HD1 LEU 16 -2.726 5.701 -14.849
115 HD12 LEU 16 2HD1 LEU 16 -4.131 4.612 -14.789
116 HD13 LEU 16 3HD1 LEU 16 -2.497 3.941 -14.703
117 HD21 LEU 16 3HD2 LEU 16 -1.705 5.073 -11.312
118 HD22 LEU 16 1HD2 LEU 16 -1.314 6.021 -12.763
119 HD23 LEU 16 2HD2 LEU 16 -1.103 4.254 -12.758
120 H GLU 17 H GLU 17 -6.765 7.041 -10.883
121 HA GLU 17 HA GLU 17 -6.279 9.831 -10.754
122 HB2 GLU 17 1HB GLU 17 -8.569 8.154 -9.687
123 HB3 GLU 17 2HB GLU 17 -8.574 9.915 -9.666
124 HG2 GLU 17 1HG GLU 17 -8.500 10.017 -12.072
125 HG3 GLU 17 2HG GLU 17 -8.267 8.272 -12.186
126 HE2 GLU 17 HE2 GLU 17 -10.337 10.341 -10.523
127 H ASN 18 H ASN 18 -6.014 7.445 -8.168
128 HA ASN 18 HA ASN 18 -6.269 9.272 -5.974
129 HB2 ASN 18 1HB ASN 18 -4.835 6.625 -6.206
130 HB3 ASN 18 2HB ASN 18 -4.998 7.526 -4.697
131 HD21 ASN 18 2HD2 ASN 18 -6.238 5.036 -6.346
132 HD22 ASN 18 1HD2 ASN 18 -7.882 5.073 -5.749
133 H TYR 19 H TYR 19 -3.599 8.675 -8.194
134 HA TYR 19 HA TYR 19 -1.507 9.751 -6.484
135 HB2 TYR 19 1HB TYR 19 -1.835 9.429 -9.463
136 HB3 TYR 19 2HB TYR 19 -0.400 10.159 -8.781
137 HD1 TYR 19 HD1 TYR 19 -2.258 6.988 -9.172
138 HD2 TYR 19 HD2 TYR 19 1.290 8.837 -7.616
139 HE1 TYR 19 HE1 TYR 19 -1.200 4.753 -8.960
140 HE2 TYR 19 HE2 TYR 19 2.352 6.581 -7.397
141 HH TYR 19 HH TYR 19 0.645 3.589 -8.392
142 H CYS 20 H CYS 20 -4.228 11.181 -8.006
143 HA CYS 20 HA CYS 20 -2.929 13.864 -8.041
144 HB2 CYS 20 1HB CYS 20 -5.665 13.018 -9.050
145 HB3 CYS 20 2HB CYS 20 -4.908 14.597 -9.262
146 H ASN 21 H ASN 21 -3.801 12.195 -5.651
147 HA ASN 21 HA ASN 21 -5.752 14.139 -4.460
148 HB2 ASN 21 1HB ASN 21 -6.664 11.778 -4.903
149 HB3 ASN 21 2HB ASN 21 -5.521 11.192 -3.698
150 HD21 ASN 21 2HD2 ASN 21 -8.580 11.546 -3.940
151 HD22 ASN 21 1HD2 ASN 21 -8.998 12.253 -2.402
152 HXT ASN 21 H02 ASN 21 -3.584 14.734 -2.052
153 H1 PHE 1 3H0 PHE 1 -7.959 5.097 -22.391
154 H2 PHE 1 2H0 PHE 1 -7.496 4.109 -23.628
155 H3 PHE 1 1H0 PHE 1 -8.551 3.561 -22.488
156 HA PHE 1 HA PHE 1 -5.730 4.268 -22.027
157 HB2 PHE 1 1HB PHE 1 -7.483 4.695 -20.175
158 HB3 PHE 1 2HB PHE 1 -7.633 2.936 -20.076
159 HD1 PHE 1 HD1 PHE 1 -5.237 5.792 -19.733
160 HD2 PHE 1 HD2 PHE 1 -6.003 1.635 -18.889
161 HE1 PHE 1 HE1 PHE 1 -3.244 5.730 -18.246
162 HE2 PHE 1 HE2 PHE 1 -4.008 1.568 -17.400
163 HZ PHE 1 HZ PHE 1 -2.617 3.609 -17.089
164 H VAL 2 H VAL 2 -4.396 2.310 -21.436
165 HA VAL 2 HA VAL 2 -5.555 -0.231 -22.471
166 HB VAL 2 HB VAL 2 -4.352 0.889 -24.379
167 HG11 VAL 2 1HG1 VAL 2 -1.911 1.165 -24.336
168 HG12 VAL 2 2HG1 VAL 2 -2.673 2.170 -23.089
169 HG13 VAL 2 3HG1 VAL 2 -1.864 0.652 -22.636
170 HG21 VAL 2 3HG2 VAL 2 -4.444 -1.591 -24.206
171 HG22 VAL 2 1HG2 VAL 2 -2.988 -1.014 -25.040
172 HG23 VAL 2 2HG2 VAL 2 -2.877 -1.575 -23.357
173 H ASN 3 H ASN 3 -4.629 -2.073 -21.445
174 HA ASN 3 HA ASN 3 -3.433 -1.419 -18.864
175 HB2 ASN 3 1HB ASN 3 -3.420 -3.823 -18.448
176 HB3 ASN 3 2HB ASN 3 -5.040 -3.253 -18.910
177 HD21 ASN 3 2HD2 ASN 3 -5.824 -3.821 -21.022
178 HD22 ASN 3 1HD2 ASN 3 -5.139 -5.187 -21.869
179 H GLN 4 H GLN 4 -1.439 -1.532 -18.242
180 HA GLN 4 HA GLN 4 0.448 -3.391 -19.393
181 HB2 GLN 4 1HB GLN 4 2.168 -1.577 -19.854
182 HB3 GLN 4 2HB GLN 4 0.870 -1.689 -21.047
183 HG2 GLN 4 1HG GLN 4 -0.276 0.226 -19.977
184 HG3 GLN 4 2HG GLN 4 1.051 0.351 -18.819
185 HE21 GLN 4 2HE2 GLN 4 0.151 0.623 -22.214
186 HE22 GLN 4 1HE2 GLN 4 1.479 1.666 -22.664
187 H HIS 5 H HIS 5 2.125 -3.639 -17.857
188 HA HIS 5 HA HIS 5 1.664 -2.640 -15.162
189 HB2 HIS 5 1HB HIS 5 4.136 -3.896 -16.432
190 HB3 HIS 5 2HB HIS 5 3.956 -3.538 -14.714
191 HD1 HIS 5 HD1 HIS 5 1.345 -4.633 -13.887
192 HD2 HIS 5 HD2 HIS 5 3.678 -6.575 -16.682
193 HE1 HIS 5 HE1 HIS 5 0.550 -7.070 -14.005
194 HE2 HIS 5 HE2 HIS 5 2.025 -8.225 -15.675
195 H LEU 6 H LEU 6 2.730 -0.930 -14.087
196 HA LEU 6 HA LEU 6 4.077 1.017 -15.930
197 HB2 LEU 6 1HB LEU 6 1.967 1.476 -13.810
198 HB3 LEU 6 2HB LEU 6 2.826 2.753 -14.654
199 HG LEU 6 HG LEU 6 1.052 0.736 -16.039
200 HD11 LEU 6 1HD1 LEU 6 -0.626 2.544 -16.089
201 HD12 LEU 6 2HD1 LEU 6 0.428 3.534 -15.050
202 HD13 LEU 6 3HD1 LEU 6 -0.257 2.011 -14.438
203 HD21 LEU 6 3HD2 LEU 6 2.274 3.372 -16.926
204 HD22 LEU 6 1HD2 LEU 6 1.048 2.478 -17.840
205 HD23 LEU 6 2HD2 LEU 6 2.641 1.752 -17.569
206 H CYS 7 H CYS 7 6.160 1.044 -15.235
207 HA CYS 7 HA CYS 7 6.562 1.939 -12.411
208 HB2 CYS 7 1HB CYS 7 8.376 0.149 -14.073
209 HB3 CYS 7 2HB CYS 7 8.778 0.816 -12.488
210 H GLY 8 H GLY 8 8.306 3.461 -12.132
211 HA2 GLY 8 1HA GLY 8 9.630 5.238 -12.771
212 HA3 GLY 8 2HA GLY 8 10.029 4.278 -14.204
213 H SER 9 H SER 9 10.000 5.744 -15.796
214 HA SER 9 HA SER 9 8.294 7.971 -16.015
215 HB2 SER 9 1HB SER 9 8.941 7.318 -18.610
216 HB3 SER 9 2HB SER 9 9.996 8.205 -17.482
217 HG SER 9 HG SER 9 11.111 6.431 -18.315
218 H HIS 10 H HIS 10 7.660 4.588 -16.910
219 HA HIS 10 HA HIS 10 5.498 5.134 -18.729
220 HB2 HIS 10 1HB HIS 10 6.352 2.796 -17.065
221 HB3 HIS 10 2HB HIS 10 4.695 2.821 -17.646
222 HD1 HIS 10 HD1 HIS 10 4.257 2.007 -19.984
223 HD2 HIS 10 HD2 HIS 10 8.301 2.950 -19.315
224 HE1 HIS 10 HE1 HIS 10 5.538 1.284 -22.043
225 HE2 HIS 10 HE2 HIS 10 7.977 1.853 -21.638
226 H LEU 11 H LEU 11 5.646 4.812 -15.174
227 HA LEU 11 HA LEU 11 2.800 4.911 -14.790
228 HB2 LEU 11 1HB LEU 11 4.453 4.085 -13.125
229 HB3 LEU 11 2HB LEU 11 5.069 5.719 -12.939
230 HG LEU 11 HG LEU 11 2.948 6.449 -11.955
231 HD11 LEU 11 1HD1 LEU 11 1.357 4.964 -13.049
232 HD12 LEU 11 2HD1 LEU 11 1.255 4.751 -11.294
233 HD13 LEU 11 3HD1 LEU 11 2.110 3.542 -12.281
234 HD21 LEU 11 3HD2 LEU 11 4.770 5.549 -10.551
235 HD22 LEU 11 1HD2 LEU 11 4.075 3.912 -10.697
236 HD23 LEU 11 2HD2 LEU 11 3.174 5.197 -9.854
237 H VAL 12 H VAL 12 5.367 7.368 -14.889
238 HA VAL 12 HA VAL 12 3.731 9.589 -14.165
239 HB VAL 12 HB VAL 12 6.230 9.490 -15.921
240 HG11 VAL 12 1HG1 VAL 12 5.045 11.812 -14.370
241 HG12 VAL 12 2HG1 VAL 12 6.559 11.830 -15.301
242 HG13 VAL 12 3HG1 VAL 12 5.009 11.620 -16.138
243 HG21 VAL 12 3HG2 VAL 12 5.901 9.869 -12.912
244 HG22 VAL 12 1HG2 VAL 12 6.661 8.486 -13.728
245 HG23 VAL 12 2HG2 VAL 12 7.426 10.081 -13.802
246 H GLU 13 H GLU 13 4.575 8.204 -17.383
247 HA GLU 13 HA GLU 13 3.102 10.175 -18.870
248 HB2 GLU 13 1HB GLU 13 4.011 7.356 -19.503
249 HB3 GLU 13 2HB GLU 13 3.148 8.369 -20.670
250 HG2 GLU 13 1HG GLU 13 5.792 9.076 -19.357
251 HG3 GLU 13 2HG GLU 13 5.587 8.462 -21.003
252 HE2 GLU 13 HE2 GLU 13 5.375 12.222 -20.370
253 H ALA 14 H ALA 14 2.153 7.154 -17.293
254 HA ALA 14 HA ALA 14 -0.426 7.003 -18.589
255 HB1 ALA 14 3HB ALA 14 -0.982 5.453 -16.762
256 HB2 ALA 14 1HB ALA 14 0.617 5.084 -17.447
257 HB3 ALA 14 2HB ALA 14 0.491 5.936 -15.891
258 H LEU 15 H LEU 15 0.821 8.511 -15.599
259 HA LEU 15 HA LEU 15 -1.733 9.381 -14.652
260 HB2 LEU 15 1HB LEU 15 1.102 10.295 -14.140
261 HB3 LEU 15 2HB LEU 15 -0.283 11.072 -13.380
262 HG LEU 15 HG LEU 15 0.366 8.129 -13.073
263 HD11 LEU 15 1HD1 LEU 15 0.843 10.390 -11.115
264 HD12 LEU 15 2HD1 LEU 15 2.107 9.567 -12.061
265 HD13 LEU 15 3HD1 LEU 15 1.171 8.662 -10.854
266 HD21 LEU 15 3HD2 LEU 15 -1.582 9.956 -11.666
267 HD22 LEU 15 1HD2 LEU 15 -1.252 8.259 -11.247
268 HD23 LEU 15 2HD2 LEU 15 -1.993 8.650 -12.797
269 H TYR 16 H TYR 16 0.571 10.852 -16.927
270 HA TYR 16 HA TYR 16 -0.633 13.433 -17.054
271 HB2 TYR 16 1HB TYR 16 0.931 11.726 -18.977
272 HB3 TYR 16 2HB TYR 16 0.061 13.122 -19.608
273 HD1 TYR 16 HD1 TYR 16 0.494 15.430 -18.511
274 HD2 TYR 16 HD2 TYR 16 3.093 12.039 -18.002
275 HE1 TYR 16 HE1 TYR 16 2.355 16.948 -17.825
276 HE2 TYR 16 HE2 TYR 16 4.954 13.570 -17.347
277 HH TYR 16 HH TYR 16 5.590 15.730 -16.951
278 H LEU 17 H LEU 17 -1.475 10.363 -18.699
279 HA LEU 17 HA LEU 17 -3.572 11.589 -20.262
280 HB2 LEU 17 1HB LEU 17 -3.160 8.702 -19.431
281 HB3 LEU 17 2HB LEU 17 -4.310 9.273 -20.631
282 HG LEU 17 HG LEU 17 -1.296 9.560 -20.880
283 HD11 LEU 17 1HD1 LEU 17 -3.176 7.521 -22.130
284 HD12 LEU 17 2HD1 LEU 17 -1.981 7.196 -20.850
285 HD13 LEU 17 3HD1 LEU 17 -1.436 7.689 -22.466
286 HD21 LEU 17 3HD2 LEU 17 -2.497 11.223 -22.214
287 HD22 LEU 17 1HD2 LEU 17 -3.546 9.957 -22.897
288 HD23 LEU 17 2HD2 LEU 17 -1.806 9.984 -23.276
289 H VAL 18 H VAL 18 -3.557 9.823 -17.149
290 HA VAL 18 HA VAL 18 -6.453 9.672 -17.059
291 HB VAL 18 HB VAL 18 -4.347 9.250 -14.886
292 HG11 VAL 18 1HG1 VAL 18 -6.153 8.000 -13.695
293 HG12 VAL 18 2HG1 VAL 18 -6.489 9.733 -13.822
294 HG13 VAL 18 3HG1 VAL 18 -7.324 8.588 -14.898
295 HG21 VAL 18 3HG2 VAL 18 -4.152 7.680 -16.736
296 HG22 VAL 18 1HG2 VAL 18 -4.824 6.853 -15.327
297 HG23 VAL 18 2HG2 VAL 18 -5.888 7.327 -16.666
298 H CYS 19 H CYS 19 -4.011 11.808 -15.543
299 HA CYS 19 HA CYS 19 -6.200 13.251 -14.206
300 HB2 CYS 19 1HB CYS 19 -3.526 12.860 -13.598
301 HB3 CYS 19 2HB CYS 19 -3.603 14.562 -14.098
302 H GLY 20 H GLY 20 -4.510 13.418 -17.238
303 HA2 GLY 20 1HA GLY 20 -4.877 14.859 -18.990
304 HA3 GLY 20 2HA GLY 20 -6.235 15.544 -18.086
305 H GLU 21 H GLU 21 -5.691 17.593 -18.878
306 HA GLU 21 HA GLU 21 -3.151 18.823 -18.544
307 HB2 GLU 21 1HB GLU 21 -5.876 20.150 -18.755
308 HB3 GLU 21 2HB GLU 21 -4.312 20.908 -19.069
309 HG2 GLU 21 1HG GLU 21 -5.629 18.692 -20.676
310 HG3 GLU 21 2HG GLU 21 -5.369 20.368 -21.177
311 HE2 GLU 21 HE2 GLU 21 -3.083 20.916 -20.747
312 H ARG 22 H ARG 22 -5.298 18.012 -16.074
313 HA ARG 22 HA ARG 22 -5.068 20.378 -14.410
314 HB2 ARG 22 1HB ARG 22 -5.618 17.463 -13.740
315 HB3 ARG 22 2HB ARG 22 -5.738 18.793 -12.584
316 HG2 ARG 22 1HG ARG 22 -7.533 19.819 -13.865
317 HG3 ARG 22 2HG ARG 22 -7.400 18.568 -15.118
318 HD2 ARG 22 1HD ARG 22 -8.038 17.986 -12.206
319 HD3 ARG 22 2HD ARG 22 -9.266 18.213 -13.470
320 HE ARG 22 HE ARG 22 -7.412 16.260 -14.378
321 HH11 ARG 22 1HH1 ARG 22 -9.896 16.555 -11.879
322 HH12 ARG 22 2HH1 ARG 22 -10.248 14.850 -11.901
323 HH21 ARG 22 1HH2 ARG 22 -7.929 14.117 -14.366
324 HH22 ARG 22 2HH2 ARG 22 -9.150 13.490 -13.294
325 H GLY 23 H GLY 23 -2.962 17.700 -15.151
326 HA2 GLY 23 1HA GLY 23 -0.730 17.449 -14.488
327 HA3 GLY 23 2HA GLY 23 -0.919 18.792 -13.339
328 H PHE 24 H PHE 24 0.400 16.835 -12.239
329 HA PHE 24 HA PHE 24 -1.351 15.671 -10.230
330 HB2 PHE 24 1HB PHE 24 -0.746 13.332 -10.708
331 HB3 PHE 24 2HB PHE 24 -1.678 14.026 -12.034
332 HD1 PHE 24 HD1 PHE 24 -0.634 14.580 -14.176
333 HD2 PHE 24 HD2 PHE 24 1.575 12.698 -11.016
334 HE1 PHE 24 HE1 PHE 24 1.155 13.994 -15.779
335 HE2 PHE 24 HE2 PHE 24 3.357 12.071 -12.622
336 HZ PHE 24 HZ PHE 24 3.147 12.734 -15.027
337 H PHE 25 H PHE 25 0.302 14.055 -8.941
338 HA PHE 25 HA PHE 25 3.055 15.150 -9.117
339 HB2 PHE 25 1HB PHE 25 3.188 15.472 -6.725
340 HB3 PHE 25 2HB PHE 25 1.846 16.435 -7.349
341 HD1 PHE 25 HD1 PHE 25 -0.488 15.850 -6.801
342 HD2 PHE 25 HD2 PHE 25 2.808 13.540 -5.274
343 HE1 PHE 25 HE1 PHE 25 -2.010 14.779 -5.142
344 HE2 PHE 25 HE2 PHE 25 1.293 12.459 -3.624
345 HZ PHE 25 HZ PHE 25 -1.118 13.071 -3.560
346 H TYR 26 H TYR 26 4.517 13.736 -7.689
347 HA TYR 26 HA TYR 26 3.478 10.971 -7.420
348 HB2 TYR 26 1HB TYR 26 4.616 11.069 -9.622
349 HB3 TYR 26 2HB TYR 26 6.062 11.736 -8.846
350 HD1 TYR 26 HD1 TYR 26 3.784 8.732 -8.765
351 HD2 TYR 26 HD2 TYR 26 7.741 10.269 -8.019
352 HE1 TYR 26 HE1 TYR 26 4.597 6.429 -8.269
353 HE2 TYR 26 HE2 TYR 26 8.544 7.951 -7.553
354 HH TYR 26 HH TYR 26 6.364 5.125 -7.697
355 H THR 27 H THR 27 4.724 9.787 -5.830
356 HA THR 27 HA THR 27 6.251 11.600 -4.023
357 HB THR 27 HB THR 27 4.281 11.294 -2.858
358 HG1 THR 27 HG1 THR 27 6.017 10.606 -1.564
359 HG21 THR 27 1HG2 THR 27 3.093 9.778 -4.237
360 HG22 THR 27 2HG2 THR 27 3.201 9.010 -2.641
361 HG23 THR 27 3HG2 THR 27 4.275 8.476 -3.954
362 HA PRO 28 HA PRO 28 9.156 8.162 -4.853
363 HB2 PRO 28 1HB PRO 28 11.397 9.664 -5.091
364 HB3 PRO 28 2HB PRO 28 10.197 9.585 -6.420
365 HG2 PRO 28 1HG PRO 28 10.565 11.690 -4.311
366 HG3 PRO 28 2HG PRO 28 10.341 11.887 -6.077
367 HD2 PRO 28 1HD PRO 28 8.306 12.119 -4.226
368 HD3 PRO 28 2HD PRO 28 8.028 11.594 -5.920
369 H LYS 29 H LYS 29 11.291 7.681 -3.527
370 HA LYS 29 HA LYS 29 11.365 9.068 -0.935
371 HB2 LYS 29 1HB LYS 29 11.243 7.081 0.339
372 HB3 LYS 29 2HB LYS 29 9.839 7.041 -0.720
373 HG2 LYS 29 1HG LYS 29 11.091 5.462 -2.217
374 HG3 LYS 29 2HG LYS 29 12.439 5.495 -1.063
375 HD2 LYS 29 1HD LYS 29 10.738 4.748 0.707
376 HD3 LYS 29 2HD LYS 29 9.663 4.371 -0.657
377 HE2 LYS 29 1HE LYS 29 12.454 3.246 -0.138
378 HE3 LYS 29 2HE LYS 29 10.921 2.370 0.025
379 HZ1 LYS 29 3HZ LYS 29 12.020 1.854 -2.059
380 HZ2 LYS 29 1HZ LYS 29 12.040 3.440 -2.506
381 HZ3 LYS 29 2HZ LYS 29 10.604 2.639 -2.371
382 H THR 30 H THR 30 13.421 8.701 0.128
383 HA THR 30 HA THR 30 15.565 7.807 -1.751
384 HB THR 30 HB THR 30 17.027 9.269 -0.244
385 HG1 THR 30 HG1 THR 30 15.758 10.834 0.955
386 HG21 THR 30 1HG2 THR 30 14.685 10.686 -1.676
387 HG22 THR 30 2HG2 THR 30 16.141 10.075 -2.486
388 HG23 THR 30 3HG2 THR 30 16.270 11.391 -1.311
389 HXT THR 30 H02 THR 30 15.618 6.246 1.804
Start of MODEL 13
1 H1 GLY 1 3H0 GLY 1 3.044 -0.425 -1.483
2 H2 GLY 1 2H0 GLY 1 2.700 0.074 0.053
3 H3 GLY 1 1H0 GLY 1 1.480 -0.385 -0.961
4 HA2 GLY 1 1HA GLY 1 1.555 1.999 -0.752
5 HA3 GLY 1 2HA GLY 1 3.230 1.949 -1.339
6 H ILE 2 H ILE 2 0.941 3.354 -2.566
7 HA ILE 2 HA ILE 2 -0.271 1.765 -4.546
8 HB ILE 2 HB ILE 2 -1.072 3.986 -3.692
9 HG12 ILE 2 1HG1 ILE 2 -0.883 3.750 -6.710
10 HG13 ILE 2 2HG1 ILE 2 -1.985 2.833 -5.687
11 HG21 ILE 2 1HG2 ILE 2 1.103 5.232 -3.861
12 HG22 ILE 2 2HG2 ILE 2 0.951 5.213 -5.634
13 HG23 ILE 2 3HG2 ILE 2 -0.236 6.083 -4.643
14 HD11 ILE 2 3HD1 ILE 2 -3.024 5.004 -4.941
15 HD12 ILE 2 1HD1 ILE 2 -1.992 5.852 -6.125
16 HD13 ILE 2 2HD1 ILE 2 -3.197 4.673 -6.680
17 H VAL 3 H VAL 3 2.833 3.481 -4.658
18 HA VAL 3 HA VAL 3 3.184 3.288 -7.478
19 HB VAL 3 HB VAL 3 5.334 3.247 -5.308
20 HG11 VAL 3 1HG1 VAL 3 6.769 4.233 -7.130
21 HG12 VAL 3 2HG1 VAL 3 6.245 2.570 -7.487
22 HG13 VAL 3 3HG1 VAL 3 5.446 3.942 -8.285
23 HG21 VAL 3 3HG2 VAL 3 4.005 5.578 -6.763
24 HG22 VAL 3 1HG2 VAL 3 3.896 5.210 -5.023
25 HG23 VAL 3 2HG2 VAL 3 5.446 5.717 -5.729
26 H GLU 4 H GLU 4 4.014 1.049 -4.796
27 HA GLU 4 HA GLU 4 5.302 -0.878 -6.501
28 HB2 GLU 4 1HB GLU 4 3.936 -1.145 -3.800
29 HB3 GLU 4 2HB GLU 4 4.726 -2.487 -4.628
30 HG2 GLU 4 1HG GLU 4 6.322 -1.706 -3.127
31 HG3 GLU 4 2HG GLU 4 6.813 -1.072 -4.703
32 HE2 GLU 4 HE2 GLU 4 7.151 1.889 -3.121
33 H GLN 5 H GLN 5 1.949 -0.451 -5.350
34 HA GLN 5 HA GLN 5 0.937 -2.900 -6.364
35 HB2 GLN 5 1HB GLN 5 -0.365 -0.199 -5.906
36 HB3 GLN 5 2HB GLN 5 -1.272 -1.653 -6.340
37 HG2 GLN 5 1HG GLN 5 -0.894 -2.680 -4.283
38 HG3 GLN 5 2HG GLN 5 0.590 -1.773 -3.977
39 HE21 GLN 5 2HE2 GLN 5 -2.778 -0.788 -4.717
40 HE22 GLN 5 1HE2 GLN 5 -2.929 0.260 -3.327
41 H CYS 6 H CYS 6 1.376 0.283 -7.985
42 HA CYS 6 HA CYS 6 0.147 -0.773 -10.428
43 HB2 CYS 6 1HB CYS 6 1.778 1.752 -9.994
44 HB3 CYS 6 2HB CYS 6 0.808 1.362 -11.419
45 H CYS 7 H CYS 7 3.377 -0.585 -9.076
46 HA CYS 7 HA CYS 7 4.774 -0.898 -11.567
47 HB2 CYS 7 1HB CYS 7 5.724 -0.016 -9.410
48 HB3 CYS 7 2HB CYS 7 5.667 -1.657 -8.766
49 H THR 8 H THR 8 3.979 -3.170 -8.899
50 HA THR 8 HA THR 8 4.981 -5.407 -10.499
51 HB THR 8 HB THR 8 5.452 -5.060 -8.028
52 HG1 THR 8 HG1 THR 8 4.368 -7.489 -9.047
53 HG21 THR 8 1HG2 THR 8 3.904 -5.594 -6.384
54 HG22 THR 8 2HG2 THR 8 2.831 -6.456 -7.512
55 HG23 THR 8 3HG2 THR 8 2.902 -4.683 -7.526
56 H SER 9 H SER 9 1.866 -3.999 -9.926
57 HA SER 9 HA SER 9 0.689 -6.301 -11.362
58 HB2 SER 9 1HB SER 9 -1.269 -6.307 -9.731
59 HB3 SER 9 2HB SER 9 0.252 -6.934 -9.079
60 HG SER 9 HG SER 9 -0.191 -4.207 -8.710
61 H ILE 10 H ILE 10 -1.985 -5.491 -11.392
62 HA ILE 10 HA ILE 10 -1.547 -3.321 -13.341
63 HB ILE 10 HB ILE 10 -4.014 -5.037 -12.788
64 HG12 ILE 10 1HG1 ILE 10 -2.060 -6.342 -13.617
65 HG13 ILE 10 2HG1 ILE 10 -3.456 -6.364 -14.686
66 HG21 ILE 10 1HG2 ILE 10 -4.764 -4.240 -15.061
67 HG22 ILE 10 2HG2 ILE 10 -4.725 -2.965 -13.835
68 HG23 ILE 10 3HG2 ILE 10 -3.421 -3.064 -15.047
69 HD11 ILE 10 3HD1 ILE 10 -1.255 -6.145 -15.866
70 HD12 ILE 10 1HD1 ILE 10 -2.407 -4.856 -16.245
71 HD13 ILE 10 2HD1 ILE 10 -1.064 -4.542 -15.125
72 H CYS 11 H CYS 11 -2.083 -1.272 -13.037
73 HA CYS 11 HA CYS 11 -4.239 -0.629 -11.058
74 HB2 CYS 11 1HB CYS 11 -1.879 0.980 -12.078
75 HB3 CYS 11 2HB CYS 11 -3.311 1.752 -11.386
76 H SER 12 H SER 12 -6.115 -0.278 -12.043
77 HA SER 12 HA SER 12 -6.270 0.265 -14.920
78 HB2 SER 12 1HB SER 12 -8.693 0.382 -14.499
79 HB3 SER 12 2HB SER 12 -8.005 -1.063 -13.725
80 HG SER 12 HG SER 12 -9.234 -0.148 -12.176
81 H LEU 13 H LEU 13 -7.618 2.293 -15.585
82 HA LEU 13 HA LEU 13 -6.194 4.591 -14.794
83 HB2 LEU 13 1HB LEU 13 -7.708 5.852 -16.113
84 HB3 LEU 13 2HB LEU 13 -7.432 4.316 -16.914
85 HG LEU 13 HG LEU 13 -9.736 3.753 -15.550
86 HD11 LEU 13 1HD1 LEU 13 -9.866 6.692 -16.358
87 HD12 LEU 13 2HD1 LEU 13 -9.989 6.047 -14.703
88 HD13 LEU 13 3HD1 LEU 13 -11.255 5.687 -15.889
89 HD21 LEU 13 3HD2 LEU 13 -9.489 5.047 -18.290
90 HD22 LEU 13 1HD2 LEU 13 -10.871 4.091 -17.704
91 HD23 LEU 13 2HD2 LEU 13 -9.289 3.315 -17.919
92 H TYR 14 H TYR 14 -9.115 3.191 -13.396
93 HA TYR 14 HA TYR 14 -9.920 5.491 -11.908
94 HB2 TYR 14 1HB TYR 14 -10.300 2.588 -11.149
95 HB3 TYR 14 2HB TYR 14 -11.328 3.960 -10.718
96 HD1 TYR 14 HD1 TYR 14 -12.387 5.263 -12.807
97 HD2 TYR 14 HD2 TYR 14 -10.857 1.241 -12.969
98 HE1 TYR 14 HE1 TYR 14 -13.716 4.835 -14.878
99 HE2 TYR 14 HE2 TYR 14 -12.186 0.827 -15.049
100 HH TYR 14 HH TYR 14 -13.693 1.685 -16.548
101 H GLN 15 H GLN 15 -7.671 2.830 -11.243
102 HA GLN 15 HA GLN 15 -7.206 3.565 -8.469
103 HB2 GLN 15 1HB GLN 15 -5.537 1.938 -10.408
104 HB3 GLN 15 2HB GLN 15 -5.280 2.066 -8.660
105 HG2 GLN 15 1HG GLN 15 -7.885 1.365 -8.681
106 HG3 GLN 15 2HG GLN 15 -7.376 0.594 -10.191
107 HE21 GLN 15 2HE2 GLN 15 -7.725 0.194 -6.938
108 HE22 GLN 15 1HE2 GLN 15 -6.571 -1.083 -6.687
109 H LEU 16 H LEU 16 -5.827 4.362 -11.618
110 HA LEU 16 HA LEU 16 -3.535 5.764 -10.628
111 HB2 LEU 16 1HB LEU 16 -5.020 5.948 -13.249
112 HB3 LEU 16 2HB LEU 16 -3.517 6.793 -12.910
113 HG LEU 16 HG LEU 16 -3.856 3.775 -12.835
114 HD11 LEU 16 1HD1 LEU 16 -2.651 3.750 -14.922
115 HD12 LEU 16 2HD1 LEU 16 -2.526 5.527 -14.917
116 HD13 LEU 16 3HD1 LEU 16 -4.108 4.731 -15.092
117 HD21 LEU 16 3HD2 LEU 16 -2.037 4.460 -11.375
118 HD22 LEU 16 1HD2 LEU 16 -1.378 5.527 -12.637
119 HD23 LEU 16 2HD2 LEU 16 -1.362 3.762 -12.853
120 H GLU 17 H GLU 17 -6.908 6.755 -11.100
121 HA GLU 17 HA GLU 17 -6.521 9.568 -10.973
122 HB2 GLU 17 1HB GLU 17 -8.779 7.806 -9.987
123 HB3 GLU 17 2HB GLU 17 -8.840 9.564 -9.916
124 HG2 GLU 17 1HG GLU 17 -8.703 9.742 -12.316
125 HG3 GLU 17 2HG GLU 17 -8.425 8.008 -12.474
126 HE2 GLU 17 HE2 GLU 17 -10.588 9.999 -10.830
127 H ASN 18 H ASN 18 -6.041 7.208 -8.433
128 HA ASN 18 HA ASN 18 -6.442 8.973 -6.197
129 HB2 ASN 18 1HB ASN 18 -4.769 6.482 -6.561
130 HB3 ASN 18 2HB ASN 18 -4.897 7.342 -5.022
131 HD21 ASN 18 2HD2 ASN 18 -6.106 4.846 -6.784
132 HD22 ASN 18 1HD2 ASN 18 -7.667 4.693 -6.002
133 H TYR 19 H TYR 19 -3.823 8.661 -8.513
134 HA TYR 19 HA TYR 19 -1.760 9.899 -6.861
135 HB2 TYR 19 1HB TYR 19 -2.109 9.390 -9.809
136 HB3 TYR 19 2HB TYR 19 -0.686 10.188 -9.180
137 HD1 TYR 19 HD2 TYR 19 -2.504 6.952 -9.263
138 HD2 TYR 19 HD1 TYR 19 1.077 9.004 -8.079
139 HE1 TYR 19 HE2 TYR 19 -1.375 4.769 -8.966
140 HE2 TYR 19 HE1 TYR 19 2.214 6.814 -7.770
141 HH TYR 19 HH TYR 19 0.577 3.702 -8.380
142 H CYS 20 H CYS 20 -4.553 11.133 -8.421
143 HA CYS 20 HA CYS 20 -3.478 13.714 -9.258
144 HB2 CYS 20 1HB CYS 20 -6.049 12.335 -9.219
145 HB3 CYS 20 2HB CYS 20 -6.217 13.973 -8.621
146 H ASN 21 H ASN 21 -3.128 15.452 -7.964
147 HA ASN 21 HA ASN 21 -2.848 16.756 -6.128
148 HB2 ASN 21 1HB ASN 21 -5.191 17.209 -6.123
149 HB3 ASN 21 2HB ASN 21 -5.582 15.648 -5.416
150 HD21 ASN 21 2HD2 ASN 21 -4.110 18.804 -4.787
151 HD22 ASN 21 1HD2 ASN 21 -4.268 18.704 -3.054
152 HXT ASN 21 H02 ASN 21 -3.933 13.814 -4.966
153 H1 PHE 1 3H0 PHE 1 -7.700 3.562 -23.734
154 H2 PHE 1 2H0 PHE 1 -8.786 3.424 -22.503
155 H3 PHE 1 1H0 PHE 1 -7.976 4.844 -22.731
156 HA PHE 1 HA PHE 1 -5.875 3.782 -22.205
157 HB2 PHE 1 1HB PHE 1 -7.421 4.863 -20.470
158 HB3 PHE 1 2HB PHE 1 -7.947 3.229 -20.051
159 HD1 PHE 1 HD1 PHE 1 -5.030 5.546 -20.126
160 HD2 PHE 1 HD2 PHE 1 -6.575 1.794 -18.671
161 HE1 PHE 1 HE1 PHE 1 -3.064 5.323 -18.621
162 HE2 PHE 1 HE2 PHE 1 -4.606 1.568 -17.163
163 HZ PHE 1 HZ PHE 1 -2.844 3.326 -17.152
164 H VAL 2 H VAL 2 -4.798 1.818 -21.303
165 HA VAL 2 HA VAL 2 -6.414 -0.656 -21.548
166 HB VAL 2 HB VAL 2 -5.293 -0.279 -23.780
167 HG11 VAL 2 1HG1 VAL 2 -2.878 -0.466 -24.024
168 HG12 VAL 2 2HG1 VAL 2 -3.255 0.899 -22.953
169 HG13 VAL 2 3HG1 VAL 2 -2.674 -0.639 -22.269
170 HG21 VAL 2 3HG2 VAL 2 -4.381 -2.527 -24.012
171 HG22 VAL 2 1HG2 VAL 2 -4.170 -2.665 -22.253
172 HG23 VAL 2 2HG2 VAL 2 -5.807 -2.566 -22.956
173 H ASN 3 H ASN 3 -5.737 -2.247 -20.103
174 HA ASN 3 HA ASN 3 -4.250 -1.311 -17.821
175 HB2 ASN 3 1HB ASN 3 -5.228 -4.050 -18.691
176 HB3 ASN 3 2HB ASN 3 -4.320 -3.779 -17.202
177 HD21 ASN 3 2HD2 ASN 3 -7.078 -4.742 -17.584
178 HD22 ASN 3 1HD2 ASN 3 -8.094 -3.625 -16.706
179 H GLN 4 H GLN 4 -2.174 -1.540 -17.288
180 HA GLN 4 HA GLN 4 -0.538 -3.683 -18.351
181 HB2 GLN 4 1HB GLN 4 1.193 -2.202 -19.306
182 HB3 GLN 4 2HB GLN 4 -0.317 -2.048 -20.209
183 HG2 GLN 4 1HG GLN 4 -0.818 0.039 -18.882
184 HG3 GLN 4 2HG GLN 4 0.799 -0.096 -18.182
185 HE21 GLN 4 2HE2 GLN 4 -0.977 0.240 -21.225
186 HE22 GLN 4 1HE2 GLN 4 0.294 1.092 -22.071
187 H HIS 5 H HIS 5 1.347 -3.777 -17.054
188 HA HIS 5 HA HIS 5 1.190 -2.580 -14.403
189 HB2 HIS 5 1HB HIS 5 3.558 -3.882 -15.824
190 HB3 HIS 5 2HB HIS 5 3.465 -3.495 -14.102
191 HD1 HIS 5 HD1 HIS 5 0.895 -4.622 -13.150
192 HD2 HIS 5 HD2 HIS 5 3.201 -6.575 -15.988
193 HE1 HIS 5 HE1 HIS 5 0.208 -7.097 -13.122
194 HE2 HIS 5 HE2 HIS 5 1.641 -8.253 -14.839
195 H LEU 6 H LEU 6 2.327 -0.774 -13.648
196 HA LEU 6 HA LEU 6 3.638 0.909 -15.754
197 HB2 LEU 6 1HB LEU 6 1.452 1.617 -13.780
198 HB3 LEU 6 2HB LEU 6 2.421 2.823 -14.611
199 HG LEU 6 HG LEU 6 0.746 0.786 -16.081
200 HD11 LEU 6 1HD1 LEU 6 -0.708 2.084 -14.657
201 HD12 LEU 6 2HD1 LEU 6 -0.898 2.592 -16.342
202 HD13 LEU 6 3HD1 LEU 6 0.044 3.598 -15.215
203 HD21 LEU 6 3HD2 LEU 6 2.478 1.780 -17.456
204 HD22 LEU 6 1HD2 LEU 6 2.039 3.412 -16.892
205 HD23 LEU 6 2HD2 LEU 6 0.919 2.485 -17.909
206 H CYS 7 H CYS 7 5.669 1.247 -15.100
207 HA CYS 7 HA CYS 7 6.078 2.092 -12.280
208 HB2 CYS 7 1HB CYS 7 6.532 -0.460 -12.860
209 HB3 CYS 7 2HB CYS 7 8.021 0.181 -13.561
210 H GLY 8 H GLY 8 8.043 3.354 -12.019
211 HA2 GLY 8 1HA GLY 8 9.612 4.896 -12.734
212 HA3 GLY 8 2HA GLY 8 9.836 3.871 -14.164
213 H SER 9 H SER 9 9.965 5.444 -15.717
214 HA SER 9 HA SER 9 8.341 7.736 -15.890
215 HB2 SER 9 1HB SER 9 9.089 6.677 -18.490
216 HB3 SER 9 2HB SER 9 9.718 8.099 -17.623
217 HG SER 9 HG SER 9 11.388 6.622 -17.859
218 H HIS 10 H HIS 10 7.620 4.400 -16.906
219 HA HIS 10 HA HIS 10 5.518 5.032 -18.741
220 HB2 HIS 10 1HB HIS 10 6.472 2.665 -17.300
221 HB3 HIS 10 2HB HIS 10 4.713 2.690 -17.427
222 HD1 HIS 10 HD1 HIS 10 3.663 2.092 -19.707
223 HD2 HIS 10 HD2 HIS 10 7.822 2.661 -19.851
224 HE1 HIS 10 HE1 HIS 10 4.431 1.381 -22.022
225 HE2 HIS 10 HE2 HIS 10 6.936 1.735 -22.102
226 H LEU 11 H LEU 11 5.574 4.730 -15.195
227 HA LEU 11 HA LEU 11 2.713 4.865 -14.890
228 HB2 LEU 11 1HB LEU 11 4.251 3.985 -13.173
229 HB3 LEU 11 2HB LEU 11 4.975 5.573 -12.988
230 HG LEU 11 HG LEU 11 2.991 6.455 -11.956
231 HD11 LEU 11 1HD1 LEU 11 1.723 3.730 -12.419
232 HD12 LEU 11 2HD1 LEU 11 1.219 5.271 -13.160
233 HD13 LEU 11 3HD1 LEU 11 1.047 5.030 -11.414
234 HD21 LEU 11 3HD2 LEU 11 3.040 5.131 -9.923
235 HD22 LEU 11 1HD2 LEU 11 4.663 5.138 -10.640
236 HD23 LEU 11 2HD2 LEU 11 3.627 3.704 -10.812
237 H VAL 12 H VAL 12 5.333 7.294 -14.802
238 HA VAL 12 HA VAL 12 3.670 9.515 -14.173
239 HB VAL 12 HB VAL 12 6.255 9.441 -15.806
240 HG11 VAL 12 1HG1 VAL 12 4.968 11.720 -14.256
241 HG12 VAL 12 2HG1 VAL 12 6.543 11.772 -15.080
242 HG13 VAL 12 3HG1 VAL 12 5.055 11.580 -16.027
243 HG21 VAL 12 3HG2 VAL 12 5.778 9.718 -12.809
244 HG22 VAL 12 1HG2 VAL 12 6.601 8.379 -13.638
245 HG23 VAL 12 2HG2 VAL 12 7.342 9.989 -13.610
246 H GLU 13 H GLU 13 4.665 8.128 -17.327
247 HA GLU 13 HA GLU 13 3.422 10.129 -18.956
248 HB2 GLU 13 1HB GLU 13 4.087 7.205 -19.421
249 HB3 GLU 13 2HB GLU 13 3.452 8.257 -20.690
250 HG2 GLU 13 1HG GLU 13 5.393 9.668 -20.618
251 HG3 GLU 13 2HG GLU 13 5.994 8.880 -19.158
252 HE2 GLU 13 HE2 GLU 13 7.341 7.631 -22.410
253 H ALA 14 H ALA 14 2.197 7.171 -17.427
254 HA ALA 14 HA ALA 14 -0.320 7.207 -18.870
255 HB1 ALA 14 3HB ALA 14 0.471 5.892 -16.241
256 HB2 ALA 14 1HB ALA 14 -1.012 5.553 -17.165
257 HB3 ALA 14 2HB ALA 14 0.580 5.159 -17.858
258 H LEU 15 H LEU 15 0.854 8.477 -15.751
259 HA LEU 15 HA LEU 15 -1.709 9.273 -14.780
260 HB2 LEU 15 1HB LEU 15 1.112 10.189 -14.186
261 HB3 LEU 15 2HB LEU 15 -0.293 10.872 -13.374
262 HG LEU 15 HG LEU 15 0.450 7.943 -13.283
263 HD11 LEU 15 1HD1 LEU 15 2.094 9.385 -12.122
264 HD12 LEU 15 2HD1 LEU 15 1.190 8.317 -11.029
265 HD13 LEU 15 3HD1 LEU 15 0.766 10.039 -11.137
266 HD21 LEU 15 3HD2 LEU 15 -1.656 9.574 -11.910
267 HD22 LEU 15 1HD2 LEU 15 -1.204 7.916 -11.456
268 HD23 LEU 15 2HD2 LEU 15 -1.894 8.232 -13.046
269 H TYR 16 H TYR 16 0.595 10.911 -16.924
270 HA TYR 16 HA TYR 16 -0.605 13.493 -16.860
271 HB2 TYR 16 1HB TYR 16 0.939 11.925 -18.915
272 HB3 TYR 16 2HB TYR 16 0.096 13.392 -19.419
273 HD1 TYR 16 HD1 TYR 16 0.549 15.571 -18.060
274 HD2 TYR 16 HD2 TYR 16 3.119 12.122 -17.968
275 HE1 TYR 16 HE1 TYR 16 2.429 16.987 -17.233
276 HE2 TYR 16 HE2 TYR 16 5.000 13.556 -17.162
277 HH TYR 16 HH TYR 16 5.669 15.662 -16.564
278 H LEU 17 H LEU 17 -1.487 10.550 -18.694
279 HA LEU 17 HA LEU 17 -3.576 11.893 -20.168
280 HB2 LEU 17 1HB LEU 17 -3.231 8.957 -19.505
281 HB3 LEU 17 2HB LEU 17 -4.339 9.634 -20.686
282 HG LEU 17 HG LEU 17 -1.312 9.831 -20.868
283 HD11 LEU 17 1HD1 LEU 17 -2.075 7.492 -20.970
284 HD12 LEU 17 2HD1 LEU 17 -1.482 8.044 -22.548
285 HD13 LEU 17 3HD1 LEU 17 -3.233 7.920 -22.256
286 HD21 LEU 17 3HD2 LEU 17 -2.443 11.597 -22.135
287 HD22 LEU 17 1HD2 LEU 17 -3.508 10.398 -22.905
288 HD23 LEU 17 2HD2 LEU 17 -1.761 10.396 -23.247
289 H VAL 18 H VAL 18 -3.554 9.890 -17.206
290 HA VAL 18 HA VAL 18 -6.433 9.729 -17.087
291 HB VAL 18 HB VAL 18 -4.308 9.226 -14.950
292 HG11 VAL 18 1HG1 VAL 18 -7.276 8.524 -14.982
293 HG12 VAL 18 2HG1 VAL 18 -6.092 7.892 -13.817
294 HG13 VAL 18 3HG1 VAL 18 -6.450 9.622 -13.851
295 HG21 VAL 18 3HG2 VAL 18 -4.738 6.848 -15.512
296 HG22 VAL 18 1HG2 VAL 18 -5.831 7.358 -16.812
297 HG23 VAL 18 2HG2 VAL 18 -4.102 7.750 -16.889
298 H CYS 19 H CYS 19 -4.020 11.789 -15.433
299 HA CYS 19 HA CYS 19 -6.203 13.168 -14.017
300 HB2 CYS 19 1HB CYS 19 -3.207 13.299 -13.976
301 HB3 CYS 19 2HB CYS 19 -4.160 14.648 -13.334
302 H GLY 20 H GLY 20 -4.431 13.547 -17.019
303 HA2 GLY 20 1HA GLY 20 -4.465 15.263 -18.549
304 HA3 GLY 20 2HA GLY 20 -6.132 15.492 -18.012
305 H GLU 21 H GLU 21 -6.491 17.535 -17.819
306 HA GLU 21 HA GLU 21 -4.581 19.561 -17.382
307 HB2 GLU 21 1HB GLU 21 -6.922 19.606 -18.422
308 HB3 GLU 21 2HB GLU 21 -7.545 19.727 -16.775
309 HG2 GLU 21 1HG GLU 21 -6.287 21.843 -16.473
310 HG3 GLU 21 2HG GLU 21 -5.674 21.704 -18.127
311 HE2 GLU 21 HE2 GLU 21 -8.368 23.841 -18.504
312 H ARG 22 H ARG 22 -6.195 17.572 -14.959
313 HA ARG 22 HA ARG 22 -6.120 19.578 -12.855
314 HB2 ARG 22 1HB ARG 22 -6.438 16.558 -12.839
315 HB3 ARG 22 2HB ARG 22 -6.340 17.506 -11.363
316 HG2 ARG 22 1HG ARG 22 -8.615 17.342 -11.603
317 HG3 ARG 22 2HG ARG 22 -8.299 18.903 -12.366
318 HD2 ARG 22 1HD ARG 22 -9.897 17.617 -13.683
319 HD3 ARG 22 2HD ARG 22 -8.393 17.823 -14.595
320 HE ARG 22 HE ARG 22 -8.159 15.390 -13.222
321 HH11 ARG 22 1HH1 ARG 22 -10.241 16.701 -15.752
322 HH12 ARG 22 2HH1 ARG 22 -10.475 15.140 -16.493
323 HH21 ARG 22 1HH2 ARG 22 -8.501 13.436 -14.227
324 HH22 ARG 22 2HH2 ARG 22 -9.506 13.329 -15.642
325 H GLY 23 H GLY 23 -3.738 17.408 -14.195
326 HA2 GLY 23 1HA GLY 23 -1.480 17.259 -13.644
327 HA3 GLY 23 2HA GLY 23 -1.733 18.437 -12.340
328 H PHE 24 H PHE 24 -0.088 16.432 -11.703
329 HA PHE 24 HA PHE 24 -1.537 14.894 -9.678
330 HB2 PHE 24 1HB PHE 24 -0.841 12.712 -10.495
331 HB3 PHE 24 2HB PHE 24 -1.835 13.497 -11.717
332 HD1 PHE 24 HD2 PHE 24 -0.825 14.394 -13.791
333 HD2 PHE 24 HD1 PHE 24 1.488 12.247 -10.887
334 HE1 PHE 24 HE2 PHE 24 0.985 14.090 -15.460
335 HE2 PHE 24 HE1 PHE 24 3.290 11.905 -12.550
336 HZ PHE 24 HZ PHE 24 3.046 12.837 -14.859
337 H PHE 25 H PHE 25 0.267 13.384 -8.620
338 HA PHE 25 HA PHE 25 2.937 14.673 -8.947
339 HB2 PHE 25 1HB PHE 25 3.316 14.798 -6.623
340 HB3 PHE 25 2HB PHE 25 1.711 15.499 -6.857
341 HD1 PHE 25 HD2 PHE 25 -0.338 14.053 -6.327
342 HD2 PHE 25 HD1 PHE 25 3.664 12.923 -5.222
343 HE1 PHE 25 HE2 PHE 25 -1.258 12.419 -4.701
344 HE2 PHE 25 HE1 PHE 25 2.753 11.293 -3.575
345 HZ PHE 25 HZ PHE 25 0.284 11.037 -3.313
346 H TYR 26 H TYR 26 4.685 13.234 -8.172
347 HA TYR 26 HA TYR 26 3.963 10.375 -7.926
348 HB2 TYR 26 1HB TYR 26 4.222 10.592 -10.329
349 HB3 TYR 26 2HB TYR 26 5.705 11.542 -10.130
350 HD1 TYR 26 HD1 TYR 26 4.326 8.181 -9.072
351 HD2 TYR 26 HD2 TYR 26 7.750 10.435 -10.388
352 HE1 TYR 26 HE1 TYR 26 5.710 6.117 -9.041
353 HE2 TYR 26 HE2 TYR 26 9.110 8.351 -10.403
354 HH TYR 26 HH TYR 26 9.160 6.124 -9.999
355 H THR 27 H THR 27 5.453 9.291 -6.688
356 HA THR 27 HA THR 27 7.804 10.873 -5.791
357 HB THR 27 HB THR 27 6.600 10.846 -3.826
358 HG1 THR 27 HG1 THR 27 8.432 9.812 -3.222
359 HG21 THR 27 1HG2 THR 27 5.575 8.147 -4.700
360 HG22 THR 27 2HG2 THR 27 4.661 9.670 -4.538
361 HG23 THR 27 3HG2 THR 27 5.282 8.846 -3.093
362 HA PRO 28 HA PRO 28 9.594 7.160 -7.542
363 HB2 PRO 28 1HB PRO 28 12.129 8.052 -7.869
364 HB3 PRO 28 2HB PRO 28 10.778 8.709 -8.845
365 HG2 PRO 28 1HG PRO 28 12.123 9.857 -6.431
366 HG3 PRO 28 2HG PRO 28 11.619 10.672 -7.942
367 HD2 PRO 28 1HD PRO 28 10.171 10.658 -5.549
368 HD3 PRO 28 2HD PRO 28 9.430 10.951 -7.156
369 H LYS 29 H LYS 29 11.011 5.462 -6.892
370 HA LYS 29 HA LYS 29 11.899 5.651 -4.055
371 HB2 LYS 29 1HB LYS 29 12.083 3.195 -4.119
372 HB3 LYS 29 2HB LYS 29 10.445 3.778 -4.407
373 HG2 LYS 29 1HG LYS 29 10.657 3.294 -6.815
374 HG3 LYS 29 2HG LYS 29 12.330 2.776 -6.566
375 HD2 LYS 29 1HD LYS 29 11.428 1.073 -4.892
376 HD3 LYS 29 2HD LYS 29 9.818 1.451 -5.537
377 HE2 LYS 29 1HE LYS 29 10.655 -0.490 -6.712
378 HE3 LYS 29 2HE LYS 29 10.698 0.881 -7.841
379 HZ1 LYS 29 3HZ LYS 29 13.025 -0.179 -6.316
380 HZ2 LYS 29 1HZ LYS 29 13.081 1.116 -7.335
381 HZ3 LYS 29 2HZ LYS 29 12.760 -0.389 -7.930
382 H THR 30 H THR 30 13.841 6.583 -4.012
383 HA THR 30 HA THR 30 15.832 5.975 -6.107
384 HB THR 30 HB THR 30 17.253 7.627 -4.808
385 HG1 THR 30 HG1 THR 30 16.003 8.796 -3.174
386 HG21 THR 30 1HG2 THR 30 15.676 8.393 -6.667
387 HG22 THR 30 2HG2 THR 30 15.900 9.615 -5.410
388 HG23 THR 30 3HG2 THR 30 14.411 8.658 -5.449
389 HXT THR 30 H02 THR 30 16.081 6.079 -2.814
Start of MODEL 14
1 H1 GLY 1 3H0 GLY 1 4.246 -0.426 -2.043
2 H2 GLY 1 2H0 GLY 1 4.099 -0.168 -0.422
3 H3 GLY 1 1H0 GLY 1 2.765 -0.520 -1.330
4 HA2 GLY 1 1HA GLY 1 2.867 1.844 -0.749
5 HA3 GLY 1 2HA GLY 1 4.405 1.924 -1.628
6 H ILE 2 H ILE 2 2.119 3.554 -2.370
7 HA ILE 2 HA ILE 2 0.432 2.218 -4.168
8 HB ILE 2 HB ILE 2 0.057 4.478 -3.118
9 HG12 ILE 2 1HG1 ILE 2 -0.444 4.261 -6.098
10 HG13 ILE 2 2HG1 ILE 2 -1.381 3.465 -4.845
11 HG21 ILE 2 1HG2 ILE 2 0.861 6.516 -4.177
12 HG22 ILE 2 2HG2 ILE 2 2.264 5.517 -3.769
13 HG23 ILE 2 3HG2 ILE 2 1.683 5.599 -5.450
14 HD11 ILE 2 3HD1 ILE 2 -2.007 5.743 -3.936
15 HD12 ILE 2 1HD1 ILE 2 -1.185 6.471 -5.340
16 HD13 ILE 2 2HD1 ILE 2 -2.599 5.424 -5.582
17 H VAL 3 H VAL 3 3.523 3.887 -4.999
18 HA VAL 3 HA VAL 3 3.262 3.343 -7.806
19 HB VAL 3 HB VAL 3 4.776 5.098 -7.025
20 HG11 VAL 3 1HG1 VAL 3 6.874 4.649 -5.835
21 HG12 VAL 3 2HG1 VAL 3 5.496 4.103 -4.867
22 HG13 VAL 3 3HG1 VAL 3 6.492 2.916 -5.750
23 HG21 VAL 3 3HG2 VAL 3 6.439 2.869 -8.283
24 HG22 VAL 3 1HG2 VAL 3 5.308 3.906 -9.169
25 HG23 VAL 3 2HG2 VAL 3 6.735 4.622 -8.385
26 H GLU 4 H GLU 4 4.528 1.472 -5.097
27 HA GLU 4 HA GLU 4 5.878 -0.517 -6.638
28 HB2 GLU 4 1HB GLU 4 6.126 -0.109 -4.171
29 HB3 GLU 4 2HB GLU 4 4.512 -0.776 -3.943
30 HG2 GLU 4 1HG GLU 4 5.299 -2.940 -4.876
31 HG3 GLU 4 2HG GLU 4 6.934 -2.264 -4.960
32 HE2 GLU 4 HE2 GLU 4 6.916 -3.955 -1.920
33 H GLN 5 H GLN 5 2.531 -0.282 -5.348
34 HA GLN 5 HA GLN 5 1.745 -2.864 -6.296
35 HB2 GLN 5 1HB GLN 5 0.416 -0.441 -5.205
36 HB3 GLN 5 2HB GLN 5 -0.582 -1.441 -6.268
37 HG2 GLN 5 1HG GLN 5 -1.055 -2.625 -4.424
38 HG3 GLN 5 2HG GLN 5 0.531 -3.366 -4.658
39 HE21 GLN 5 2HE2 GLN 5 -1.466 -1.835 -2.497
40 HE22 GLN 5 1HE2 GLN 5 -0.276 -1.345 -1.319
41 H CYS 6 H CYS 6 1.651 0.380 -7.835
42 HA CYS 6 HA CYS 6 0.210 -0.614 -10.151
43 HB2 CYS 6 1HB CYS 6 1.919 1.875 -9.809
44 HB3 CYS 6 2HB CYS 6 0.867 1.534 -11.184
45 H CYS 7 H CYS 7 3.491 -0.799 -9.145
46 HA CYS 7 HA CYS 7 4.506 -1.156 -11.875
47 HB2 CYS 7 1HB CYS 7 5.878 0.005 -10.237
48 HB3 CYS 7 2HB CYS 7 5.821 -1.389 -9.157
49 H THR 8 H THR 8 4.185 -3.167 -8.878
50 HA THR 8 HA THR 8 5.053 -5.529 -10.321
51 HB THR 8 HB THR 8 5.409 -5.134 -7.835
52 HG1 THR 8 HG1 THR 8 4.191 -7.513 -8.814
53 HG21 THR 8 1HG2 THR 8 2.568 -6.170 -7.568
54 HG22 THR 8 2HG2 THR 8 3.004 -4.459 -7.360
55 HG23 THR 8 3HG2 THR 8 3.685 -5.688 -6.276
56 H SER 9 H SER 9 1.972 -3.996 -9.777
57 HA SER 9 HA SER 9 0.731 -6.221 -11.306
58 HB2 SER 9 1HB SER 9 -0.475 -4.874 -8.814
59 HB3 SER 9 2HB SER 9 -1.301 -6.064 -9.842
60 HG SER 9 HG SER 9 -0.368 -7.039 -8.000
61 H ILE 10 H ILE 10 -1.871 -5.038 -11.439
62 HA ILE 10 HA ILE 10 -1.050 -2.763 -13.180
63 HB ILE 10 HB ILE 10 -3.382 -4.675 -13.535
64 HG12 ILE 10 1HG1 ILE 10 -0.631 -4.473 -14.817
65 HG13 ILE 10 2HG1 ILE 10 -1.234 -5.790 -13.811
66 HG21 ILE 10 1HG2 ILE 10 -3.695 -3.593 -15.684
67 HG22 ILE 10 2HG2 ILE 10 -3.693 -2.324 -14.465
68 HG23 ILE 10 3HG2 ILE 10 -2.245 -2.587 -15.460
69 HD11 ILE 10 3HD1 ILE 10 -2.966 -6.177 -15.635
70 HD12 ILE 10 1HD1 ILE 10 -1.935 -5.119 -16.631
71 HD13 ILE 10 2HD1 ILE 10 -1.273 -6.617 -15.962
72 H CYS 11 H CYS 11 -1.563 -0.857 -12.384
73 HA CYS 11 HA CYS 11 -4.025 -0.501 -10.796
74 HB2 CYS 11 1HB CYS 11 -1.828 1.365 -11.754
75 HB3 CYS 11 2HB CYS 11 -3.314 1.958 -11.000
76 H SER 12 H SER 12 -5.915 -0.276 -11.775
77 HA SER 12 HA SER 12 -6.167 0.172 -14.642
78 HB2 SER 12 1HB SER 12 -8.598 0.252 -14.101
79 HB3 SER 12 2HB SER 12 -7.816 -1.167 -13.368
80 HG SER 12 HG SER 12 -8.982 -0.275 -11.750
81 H LEU 13 H LEU 13 -7.582 2.124 -15.384
82 HA LEU 13 HA LEU 13 -6.255 4.508 -14.669
83 HB2 LEU 13 1HB LEU 13 -7.821 5.662 -16.023
84 HB3 LEU 13 2HB LEU 13 -7.479 4.116 -16.778
85 HG LEU 13 HG LEU 13 -9.750 3.467 -15.432
86 HD11 LEU 13 1HD1 LEU 13 -11.364 5.336 -15.761
87 HD12 LEU 13 2HD1 LEU 13 -10.017 6.409 -16.200
88 HD13 LEU 13 3HD1 LEU 13 -10.126 5.730 -14.558
89 HD21 LEU 13 3HD2 LEU 13 -10.903 3.770 -17.584
90 HD22 LEU 13 1HD2 LEU 13 -9.283 3.077 -17.807
91 HD23 LEU 13 2HD2 LEU 13 -9.571 4.801 -18.158
92 H TYR 14 H TYR 14 -9.103 3.002 -13.232
93 HA TYR 14 HA TYR 14 -10.004 5.275 -11.758
94 HB2 TYR 14 1HB TYR 14 -10.216 2.393 -10.884
95 HB3 TYR 14 2HB TYR 14 -11.347 3.710 -10.570
96 HD1 TYR 14 HD1 TYR 14 -12.357 4.815 -12.848
97 HD2 TYR 14 HD2 TYR 14 -10.730 0.840 -12.535
98 HE1 TYR 14 HE1 TYR 14 -13.606 4.128 -14.904
99 HE2 TYR 14 HE2 TYR 14 -11.972 0.172 -14.594
100 HH TYR 14 HH TYR 14 -13.458 0.815 -16.213
101 H GLN 15 H GLN 15 -7.648 2.702 -11.068
102 HA GLN 15 HA GLN 15 -7.123 3.532 -8.332
103 HB2 GLN 15 1HB GLN 15 -5.548 1.887 -10.342
104 HB3 GLN 15 2HB GLN 15 -5.035 2.140 -8.676
105 HG2 GLN 15 1HG GLN 15 -7.725 0.924 -9.363
106 HG3 GLN 15 2HG GLN 15 -6.247 -0.039 -9.227
107 HE21 GLN 15 2HE2 GLN 15 -8.904 0.910 -7.546
108 HE22 GLN 15 1HE2 GLN 15 -8.265 0.798 -5.924
109 H LEU 16 H LEU 16 -5.801 4.246 -11.546
110 HA LEU 16 HA LEU 16 -3.560 5.773 -10.647
111 HB2 LEU 16 1HB LEU 16 -5.128 5.900 -13.232
112 HB3 LEU 16 2HB LEU 16 -3.641 6.787 -12.934
113 HG LEU 16 HG LEU 16 -3.896 3.761 -12.924
114 HD11 LEU 16 1HD1 LEU 16 -4.161 4.716 -15.167
115 HD12 LEU 16 2HD1 LEU 16 -2.618 3.863 -15.015
116 HD13 LEU 16 3HD1 LEU 16 -2.657 5.644 -14.962
117 HD21 LEU 16 3HD2 LEU 16 -1.418 3.798 -12.935
118 HD22 LEU 16 1HD2 LEU 16 -2.105 4.455 -11.442
119 HD23 LEU 16 2HD2 LEU 16 -1.464 5.557 -12.682
120 H GLU 17 H GLU 17 -6.977 6.664 -11.038
121 HA GLU 17 HA GLU 17 -6.640 9.473 -11.011
122 HB2 GLU 17 1HB GLU 17 -8.860 7.710 -9.979
123 HB3 GLU 17 2HB GLU 17 -8.939 9.470 -9.909
124 HG2 GLU 17 1HG GLU 17 -8.753 9.631 -12.326
125 HG3 GLU 17 2HG GLU 17 -8.550 7.884 -12.455
126 HE2 GLU 17 HE2 GLU 17 -12.117 9.370 -11.632
127 H ASN 18 H ASN 18 -6.153 7.213 -8.382
128 HA ASN 18 HA ASN 18 -6.525 9.028 -6.196
129 HB2 ASN 18 1HB ASN 18 -4.765 6.578 -6.530
130 HB3 ASN 18 2HB ASN 18 -4.867 7.495 -5.019
131 HD21 ASN 18 2HD2 ASN 18 -6.293 5.101 -6.960
132 HD22 ASN 18 1HD2 ASN 18 -7.720 4.846 -5.972
133 H TYR 19 H TYR 19 -3.937 8.716 -8.546
134 HA TYR 19 HA TYR 19 -1.933 10.110 -6.948
135 HB2 TYR 19 1HB TYR 19 -2.212 9.390 -9.857
136 HB3 TYR 19 2HB TYR 19 -0.830 10.288 -9.269
137 HD1 TYR 19 HD1 TYR 19 -2.515 6.983 -9.223
138 HD2 TYR 19 HD2 TYR 19 0.929 9.233 -7.988
139 HE1 TYR 19 HE1 TYR 19 -1.299 4.869 -8.764
140 HE2 TYR 19 HE2 TYR 19 2.142 7.114 -7.531
141 HH TYR 19 HH TYR 19 0.653 3.916 -8.057
142 H CYS 20 H CYS 20 -4.687 11.129 -8.792
143 HA CYS 20 HA CYS 20 -3.481 13.500 -9.931
144 HB2 CYS 20 1HB CYS 20 -6.420 12.871 -9.611
145 HB3 CYS 20 2HB CYS 20 -5.685 14.001 -10.747
146 H ASN 21 H ASN 21 -2.735 14.039 -7.544
147 HA ASN 21 HA ASN 21 -4.618 15.539 -5.915
148 HB2 ASN 21 1HB ASN 21 -2.397 14.597 -5.077
149 HB3 ASN 21 2HB ASN 21 -1.578 15.864 -6.004
150 HD21 ASN 21 2HD2 ASN 21 -1.115 17.657 -4.899
151 HD22 ASN 21 1HD2 ASN 21 -1.991 18.215 -3.500
152 HXT ASN 21 H02 ASN 21 -3.276 17.997 -8.588
153 H1 PHE 1 3H0 PHE 1 -8.530 3.613 -22.689
154 H2 PHE 1 2H0 PHE 1 -8.051 2.476 -23.786
155 H3 PHE 1 1H0 PHE 1 -9.105 2.068 -22.588
156 HA PHE 1 HA PHE 1 -6.292 2.863 -22.215
157 HB2 PHE 1 1HB PHE 1 -8.132 3.459 -20.445
158 HB3 PHE 1 2HB PHE 1 -8.125 1.728 -20.092
159 HD1 PHE 1 HD2 PHE 1 -6.107 4.854 -20.056
160 HD2 PHE 1 HD1 PHE 1 -6.276 0.713 -18.869
161 HE1 PHE 1 HE2 PHE 1 -4.123 5.196 -18.593
162 HE2 PHE 1 HE1 PHE 1 -4.290 1.053 -17.402
163 HZ PHE 1 HZ PHE 1 -3.205 3.294 -17.276
164 H VAL 2 H VAL 2 -4.919 1.026 -21.443
165 HA VAL 2 HA VAL 2 -6.085 -1.649 -22.009
166 HB VAL 2 HB VAL 2 -4.919 -0.795 -24.111
167 HG11 VAL 2 1HG1 VAL 2 -2.370 -1.045 -22.468
168 HG12 VAL 2 2HG1 VAL 2 -2.498 -0.653 -24.196
169 HG13 VAL 2 3HG1 VAL 2 -3.106 0.492 -22.985
170 HG21 VAL 2 3HG2 VAL 2 -3.592 -3.215 -22.819
171 HG22 VAL 2 1HG2 VAL 2 -5.186 -3.219 -23.620
172 HG23 VAL 2 2HG2 VAL 2 -3.721 -2.869 -24.557
173 H ASN 3 H ASN 3 -5.087 -3.282 -20.718
174 HA ASN 3 HA ASN 3 -3.873 -2.193 -18.314
175 HB2 ASN 3 1HB ASN 3 -3.742 -4.463 -17.513
176 HB3 ASN 3 2HB ASN 3 -5.366 -4.168 -18.167
177 HD21 ASN 3 2HD2 ASN 3 -5.946 -5.228 -20.122
178 HD22 ASN 3 1HD2 ASN 3 -5.041 -6.611 -20.687
179 H GLN 4 H GLN 4 -1.834 -2.149 -17.692
180 HA GLN 4 HA GLN 4 0.146 -3.945 -18.771
181 HB2 GLN 4 1HB GLN 4 1.711 -2.196 -19.555
182 HB3 GLN 4 2HB GLN 4 0.262 -2.263 -20.559
183 HG2 GLN 4 1HG GLN 4 -0.645 -0.290 -19.318
184 HG3 GLN 4 2HG GLN 4 0.884 -0.194 -18.435
185 HE21 GLN 4 2HE2 GLN 4 -0.673 0.119 -21.574
186 HE22 GLN 4 1HE2 GLN 4 0.598 1.063 -22.317
187 H HIS 5 H HIS 5 1.828 -4.068 -17.253
188 HA HIS 5 HA HIS 5 1.448 -2.835 -14.644
189 HB2 HIS 5 1HB HIS 5 3.869 -4.192 -15.919
190 HB3 HIS 5 2HB HIS 5 3.805 -3.635 -14.249
191 HD1 HIS 5 HD1 HIS 5 1.323 -4.650 -13.073
192 HD2 HIS 5 HD2 HIS 5 3.410 -6.884 -15.840
193 HE1 HIS 5 HE1 HIS 5 0.557 -7.087 -12.839
194 HE2 HIS 5 HE2 HIS 5 1.883 -8.415 -14.504
195 H LEU 6 H LEU 6 2.489 -0.970 -13.800
196 HA LEU 6 HA LEU 6 3.868 0.709 -15.877
197 HB2 LEU 6 1HB LEU 6 1.770 1.453 -13.826
198 HB3 LEU 6 2HB LEU 6 2.714 2.629 -14.727
199 HG LEU 6 HG LEU 6 0.904 0.610 -16.067
200 HD11 LEU 6 1HD1 LEU 6 0.307 3.479 -15.268
201 HD12 LEU 6 2HD1 LEU 6 -0.417 2.017 -14.559
202 HD13 LEU 6 3HD1 LEU 6 -0.736 2.427 -16.254
203 HD21 LEU 6 3HD2 LEU 6 2.590 1.548 -17.551
204 HD22 LEU 6 1HD2 LEU 6 2.192 3.199 -17.008
205 HD23 LEU 6 2HD2 LEU 6 1.012 2.255 -17.938
206 H CYS 7 H CYS 7 5.944 0.710 -15.233
207 HA CYS 7 HA CYS 7 6.489 1.436 -12.381
208 HB2 CYS 7 1HB CYS 7 8.299 -0.003 -14.352
209 HB3 CYS 7 2HB CYS 7 8.622 0.275 -12.638
210 H GLY 8 H GLY 8 8.051 3.057 -11.987
211 HA2 GLY 8 1HA GLY 8 9.357 4.896 -12.461
212 HA3 GLY 8 2HA GLY 8 9.844 4.031 -13.922
213 H SER 9 H SER 9 9.871 5.575 -15.421
214 HA SER 9 HA SER 9 8.117 7.767 -15.622
215 HB2 SER 9 1HB SER 9 9.019 7.077 -18.212
216 HB3 SER 9 2HB SER 9 9.752 8.230 -17.072
217 HG SER 9 HG SER 9 11.266 6.647 -17.593
218 H HIS 10 H HIS 10 7.608 4.419 -16.718
219 HA HIS 10 HA HIS 10 5.595 5.013 -18.684
220 HB2 HIS 10 1HB HIS 10 6.413 2.632 -17.115
221 HB3 HIS 10 2HB HIS 10 4.714 2.662 -17.572
222 HD1 HIS 10 HD1 HIS 10 4.144 1.805 -19.884
223 HD2 HIS 10 HD2 HIS 10 8.185 2.914 -19.501
224 HE1 HIS 10 HE1 HIS 10 5.310 1.160 -22.056
225 HE2 HIS 10 HE2 HIS 10 7.737 1.835 -21.809
226 H LEU 11 H LEU 11 5.484 4.688 -15.131
227 HA LEU 11 HA LEU 11 2.612 4.825 -14.967
228 HB2 LEU 11 1HB LEU 11 4.107 3.994 -13.143
229 HB3 LEU 11 2HB LEU 11 4.724 5.629 -12.930
230 HG LEU 11 HG LEU 11 2.459 6.392 -12.260
231 HD11 LEU 11 1HD1 LEU 11 1.047 4.776 -13.377
232 HD12 LEU 11 2HD1 LEU 11 0.784 4.669 -11.630
233 HD13 LEU 11 3HD1 LEU 11 1.776 3.441 -12.449
234 HD21 LEU 11 3HD2 LEU 11 4.105 5.712 -10.593
235 HD22 LEU 11 1HD2 LEU 11 3.537 4.029 -10.692
236 HD23 LEU 11 2HD2 LEU 11 2.468 5.308 -10.069
237 H VAL 12 H VAL 12 5.231 7.248 -14.784
238 HA VAL 12 HA VAL 12 3.596 9.467 -14.142
239 HB VAL 12 HB VAL 12 6.175 9.409 -15.780
240 HG11 VAL 12 1HG1 VAL 12 4.913 11.662 -14.185
241 HG12 VAL 12 2HG1 VAL 12 6.491 11.715 -15.003
242 HG13 VAL 12 3HG1 VAL 12 5.007 11.558 -15.958
243 HG21 VAL 12 3HG2 VAL 12 6.513 8.296 -13.637
244 HG22 VAL 12 1HG2 VAL 12 7.273 9.895 -13.584
245 HG23 VAL 12 2HG2 VAL 12 5.710 9.630 -12.781
246 H GLU 13 H GLU 13 4.567 8.163 -17.358
247 HA GLU 13 HA GLU 13 3.217 10.253 -18.800
248 HB2 GLU 13 1HB GLU 13 3.997 7.455 -19.666
249 HB3 GLU 13 2HB GLU 13 3.395 8.723 -20.745
250 HG2 GLU 13 1HG GLU 13 5.981 8.734 -19.162
251 HG3 GLU 13 2HG GLU 13 5.801 8.674 -20.918
252 HE2 GLU 13 HE2 GLU 13 4.351 10.443 -21.577
253 H ALA 14 H ALA 14 2.108 7.208 -17.411
254 HA ALA 14 HA ALA 14 -0.412 7.209 -18.852
255 HB1 ALA 14 3HB ALA 14 0.562 5.176 -17.805
256 HB2 ALA 14 1HB ALA 14 0.346 5.915 -16.201
257 HB3 ALA 14 2HB ALA 14 -1.075 5.525 -17.196
258 H LEU 15 H LEU 15 0.797 8.487 -15.751
259 HA LEU 15 HA LEU 15 -1.753 9.336 -14.771
260 HB2 LEU 15 1HB LEU 15 1.079 10.230 -14.176
261 HB3 LEU 15 2HB LEU 15 -0.329 10.893 -13.354
262 HG LEU 15 HG LEU 15 0.462 7.974 -13.290
263 HD11 LEU 15 1HD1 LEU 15 2.057 9.427 -12.089
264 HD12 LEU 15 2HD1 LEU 15 1.147 8.352 -11.008
265 HD13 LEU 15 3HD1 LEU 15 0.706 10.068 -11.128
266 HD21 LEU 15 3HD2 LEU 15 -1.211 7.909 -11.460
267 HD22 LEU 15 1HD2 LEU 15 -1.884 8.174 -13.070
268 HD23 LEU 15 2HD2 LEU 15 -1.713 9.544 -11.952
269 H TYR 16 H TYR 16 0.622 10.928 -16.900
270 HA TYR 16 HA TYR 16 -0.570 13.518 -16.855
271 HB2 TYR 16 1HB TYR 16 0.977 11.961 -18.931
272 HB3 TYR 16 2HB TYR 16 0.200 13.484 -19.369
273 HD1 TYR 16 HD2 TYR 16 0.688 15.538 -17.746
274 HD2 TYR 16 HD1 TYR 16 3.200 12.070 -18.122
275 HE1 TYR 16 HE2 TYR 16 2.630 16.835 -16.857
276 HE2 TYR 16 HE1 TYR 16 5.135 13.376 -17.263
277 HH TYR 16 HH TYR 16 5.875 15.393 -16.500
278 H LEU 17 H LEU 17 -1.439 10.570 -18.686
279 HA LEU 17 HA LEU 17 -3.491 11.915 -20.211
280 HB2 LEU 17 1HB LEU 17 -3.160 8.984 -19.523
281 HB3 LEU 17 2HB LEU 17 -4.272 9.647 -20.708
282 HG LEU 17 HG LEU 17 -1.249 9.864 -20.904
283 HD11 LEU 17 1HD1 LEU 17 -1.990 7.517 -20.967
284 HD12 LEU 17 2HD1 LEU 17 -1.408 8.051 -22.556
285 HD13 LEU 17 3HD1 LEU 17 -3.157 7.913 -22.253
286 HD21 LEU 17 3HD2 LEU 17 -2.405 11.598 -22.187
287 HD22 LEU 17 1HD2 LEU 17 -3.461 10.377 -22.936
288 HD23 LEU 17 2HD2 LEU 17 -1.716 10.390 -23.286
289 H VAL 18 H VAL 18 -3.570 9.878 -17.260
290 HA VAL 18 HA VAL 18 -6.461 9.844 -17.187
291 HB VAL 18 HB VAL 18 -4.393 9.182 -15.025
292 HG11 VAL 18 1HG1 VAL 18 -7.394 8.618 -15.112
293 HG12 VAL 18 2HG1 VAL 18 -6.259 7.903 -13.943
294 HG13 VAL 18 3HG1 VAL 18 -6.537 9.651 -13.944
295 HG21 VAL 18 3HG2 VAL 18 -4.937 6.827 -15.645
296 HG22 VAL 18 1HG2 VAL 18 -5.962 7.425 -16.963
297 HG23 VAL 18 2HG2 VAL 18 -4.211 7.725 -16.986
298 H CYS 19 H CYS 19 -3.965 11.706 -15.418
299 HA CYS 19 HA CYS 19 -6.052 13.124 -13.932
300 HB2 CYS 19 1HB CYS 19 -3.065 13.626 -14.089
301 HB3 CYS 19 2HB CYS 19 -4.186 14.294 -12.895
302 H GLY 20 H GLY 20 -4.402 13.510 -16.983
303 HA2 GLY 20 1HA GLY 20 -4.575 15.206 -18.528
304 HA3 GLY 20 2HA GLY 20 -5.985 15.785 -17.627
305 H GLU 21 H GLU 21 -5.359 17.919 -18.120
306 HA GLU 21 HA GLU 21 -2.847 19.036 -17.359
307 HB2 GLU 21 1HB GLU 21 -3.826 21.148 -17.893
308 HB3 GLU 21 2HB GLU 21 -4.437 19.959 -19.048
309 HG2 GLU 21 1HG GLU 21 -6.522 19.780 -17.612
310 HG3 GLU 21 2HG GLU 21 -5.915 21.159 -16.680
311 HE2 GLU 21 HE2 GLU 21 -5.154 22.820 -18.140
312 H ARG 22 H ARG 22 -5.306 17.983 -15.265
313 HA ARG 22 HA ARG 22 -5.225 20.151 -13.341
314 HB2 ARG 22 1HB ARG 22 -6.117 17.253 -13.217
315 HB3 ARG 22 2HB ARG 22 -6.117 18.298 -11.807
316 HG2 ARG 22 1HG ARG 22 -8.312 18.424 -12.558
317 HG3 ARG 22 2HG ARG 22 -7.574 19.914 -13.141
318 HD2 ARG 22 1HD ARG 22 -9.082 18.924 -14.810
319 HD3 ARG 22 2HD ARG 22 -7.417 18.995 -15.406
320 HE ARG 22 HE ARG 22 -7.507 16.481 -14.390
321 HH11 ARG 22 1HH1 ARG 22 -9.719 18.130 -16.608
322 HH12 ARG 22 2HH1 ARG 22 -10.160 16.646 -17.404
323 HH21 ARG 22 1HH2 ARG 22 -8.117 14.648 -15.450
324 HH22 ARG 22 2HH2 ARG 22 -9.273 14.704 -16.752
325 H GLY 23 H GLY 23 -3.084 17.551 -14.142
326 HA2 GLY 23 1HA GLY 23 -0.908 17.322 -13.317
327 HA3 GLY 23 2HA GLY 23 -1.287 18.439 -11.996
328 H PHE 24 H PHE 24 0.162 16.389 -11.251
329 HA PHE 24 HA PHE 24 -1.541 14.799 -9.517
330 HB2 PHE 24 1HB PHE 24 -0.817 12.620 -10.414
331 HB3 PHE 24 2HB PHE 24 -1.774 13.521 -11.580
332 HD1 PHE 24 HD1 PHE 24 1.568 12.266 -10.764
333 HD2 PHE 24 HD2 PHE 24 -0.823 14.358 -13.640
334 HE1 PHE 24 HE1 PHE 24 3.341 11.941 -12.439
335 HE2 PHE 24 HE2 PHE 24 0.962 14.068 -15.333
336 HZ PHE 24 HZ PHE 24 3.057 12.863 -14.757
337 H PHE 25 H PHE 25 0.119 13.024 -8.513
338 HA PHE 25 HA PHE 25 2.765 14.382 -8.218
339 HB2 PHE 25 1HB PHE 25 2.840 13.924 -5.896
340 HB3 PHE 25 2HB PHE 25 1.265 14.670 -6.183
341 HD1 PHE 25 HD2 PHE 25 -0.804 13.321 -5.993
342 HD2 PHE 25 HD1 PHE 25 3.054 11.584 -5.240
343 HE1 PHE 25 HE2 PHE 25 -1.905 11.387 -4.882
344 HE2 PHE 25 HE1 PHE 25 1.965 9.626 -4.151
345 HZ PHE 25 HZ PHE 25 -0.524 9.524 -3.971
346 H TYR 26 H TYR 26 4.514 12.903 -7.666
347 HA TYR 26 HA TYR 26 3.987 10.023 -8.115
348 HB2 TYR 26 1HB TYR 26 4.359 10.818 -10.380
349 HB3 TYR 26 2HB TYR 26 5.770 11.758 -9.864
350 HD1 TYR 26 HD1 TYR 26 4.529 8.185 -9.736
351 HD2 TYR 26 HD2 TYR 26 7.883 10.840 -10.231
352 HE1 TYR 26 HE1 TYR 26 6.039 6.238 -10.114
353 HE2 TYR 26 HE2 TYR 26 9.361 8.884 -10.647
354 HH TYR 26 HH TYR 26 9.523 6.639 -10.780
355 H THR 27 H THR 27 5.576 8.758 -7.147
356 HA THR 27 HA THR 27 7.586 10.258 -5.545
357 HB THR 27 HB THR 27 6.320 9.350 -3.866
358 HG1 THR 27 HG1 THR 27 8.358 8.418 -3.626
359 HG21 THR 27 1HG2 THR 27 5.759 7.071 -5.761
360 HG22 THR 27 2HG2 THR 27 4.621 8.294 -5.140
361 HG23 THR 27 3HG2 THR 27 5.285 7.062 -4.048
362 HA PRO 28 HA PRO 28 10.034 7.761 -8.396
363 HB2 PRO 28 1HB PRO 28 12.291 9.271 -8.384
364 HB3 PRO 28 2HB PRO 28 10.793 9.826 -9.196
365 HG2 PRO 28 1HG PRO 28 11.877 10.560 -6.505
366 HG3 PRO 28 2HG PRO 28 11.193 11.614 -7.779
367 HD2 PRO 28 1HD PRO 28 9.788 10.704 -5.578
368 HD3 PRO 28 2HD PRO 28 8.993 11.131 -7.129
369 H LYS 29 H LYS 29 11.864 6.349 -8.248
370 HA LYS 29 HA LYS 29 12.680 5.719 -5.468
371 HB2 LYS 29 1HB LYS 29 13.164 4.346 -8.143
372 HB3 LYS 29 2HB LYS 29 13.873 3.826 -6.611
373 HG2 LYS 29 1HG LYS 29 11.653 3.376 -5.690
374 HG3 LYS 29 2HG LYS 29 10.897 3.974 -7.176
375 HD2 LYS 29 1HD LYS 29 10.881 1.579 -7.285
376 HD3 LYS 29 2HD LYS 29 12.084 2.139 -8.453
377 HE2 LYS 29 1HE LYS 29 12.898 1.327 -5.637
378 HE3 LYS 29 2HE LYS 29 12.636 0.103 -6.889
379 HZ1 LYS 29 3HZ LYS 29 14.969 0.771 -6.722
380 HZ2 LYS 29 1HZ LYS 29 14.586 2.328 -7.115
381 HZ3 LYS 29 2HZ LYS 29 14.364 1.120 -8.217
382 H THR 30 H THR 30 14.094 7.348 -4.920
383 HA THR 30 HA THR 30 16.274 8.104 -6.736
384 HB THR 30 HB THR 30 16.938 9.500 -4.675
385 HG1 THR 30 HG1 THR 30 15.276 9.570 -3.067
386 HG21 THR 30 1HG2 THR 30 15.034 11.085 -4.954
387 HG22 THR 30 2HG2 THR 30 14.027 9.815 -5.669
388 HG23 THR 30 3HG2 THR 30 15.457 10.418 -6.536
389 HXT THR 30 H02 THR 30 18.884 6.651 -5.092
Start of MODEL 15
1 H1 GLY 1 3H0 GLY 1 6.373 0.817 -0.656
2 H2 GLY 1 2H0 GLY 1 4.799 0.418 -0.948
3 H3 GLY 1 1H0 GLY 1 5.930 0.229 -2.132
4 HA2 GLY 1 1HA GLY 1 5.067 2.812 -0.982
5 HA3 GLY 1 2HA GLY 1 6.289 2.614 -2.253
6 H ILE 2 H ILE 2 3.967 4.235 -2.703
7 HA ILE 2 HA ILE 2 1.813 2.708 -3.728
8 HB ILE 2 HB ILE 2 1.722 5.112 -3.018
9 HG12 ILE 2 1HG1 ILE 2 0.617 4.532 -5.777
10 HG13 ILE 2 2HG1 ILE 2 -0.074 3.958 -4.267
11 HG21 ILE 2 1HG2 ILE 2 2.856 5.788 -5.775
12 HG22 ILE 2 2HG2 ILE 2 2.355 6.928 -4.512
13 HG23 ILE 2 3HG2 ILE 2 3.779 5.908 -4.259
14 HD11 ILE 2 3HD1 ILE 2 0.117 6.859 -5.197
15 HD12 ILE 2 1HD1 ILE 2 -1.350 5.876 -5.016
16 HD13 ILE 2 2HD1 ILE 2 -0.431 6.363 -3.575
17 H VAL 3 H VAL 3 4.640 4.029 -5.495
18 HA VAL 3 HA VAL 3 3.775 3.308 -8.099
19 HB VAL 3 HB VAL 3 5.624 4.847 -7.842
20 HG11 VAL 3 1HG1 VAL 3 7.830 4.205 -6.895
21 HG12 VAL 3 2HG1 VAL 3 6.545 4.122 -5.686
22 HG13 VAL 3 3HG1 VAL 3 7.171 2.626 -6.425
23 HG21 VAL 3 3HG2 VAL 3 6.911 2.308 -8.932
24 HG22 VAL 3 1HG2 VAL 3 5.719 3.266 -9.829
25 HG23 VAL 3 2HG2 VAL 3 7.270 3.993 -9.373
26 H GLU 4 H GLU 4 5.173 1.384 -5.539
27 HA GLU 4 HA GLU 4 6.164 -0.782 -7.081
28 HB2 GLU 4 1HB GLU 4 6.607 -0.248 -4.658
29 HB3 GLU 4 2HB GLU 4 4.982 -0.824 -4.290
30 HG2 GLU 4 1HG GLU 4 5.579 -3.063 -5.089
31 HG3 GLU 4 2HG GLU 4 7.224 -2.492 -5.426
32 HE2 GLU 4 HE2 GLU 4 7.338 -3.998 -2.241
33 H GLN 5 H GLN 5 2.937 -0.114 -5.676
34 HA GLN 5 HA GLN 5 1.887 -2.698 -6.214
35 HB2 GLN 5 1HB GLN 5 0.968 -0.861 -4.691
36 HB3 GLN 5 2HB GLN 5 0.281 -0.128 -6.145
37 HG2 GLN 5 1HG GLN 5 -1.393 -1.496 -5.006
38 HG3 GLN 5 2HG GLN 5 -0.996 -2.214 -6.574
39 HE21 GLN 5 2HE2 GLN 5 -1.304 -4.354 -6.252
40 HE22 GLN 5 1HE2 GLN 5 -0.509 -5.287 -5.008
41 H CYS 6 H CYS 6 1.956 0.287 -8.196
42 HA CYS 6 HA CYS 6 0.316 -0.963 -10.270
43 HB2 CYS 6 1HB CYS 6 1.975 1.582 -10.278
44 HB3 CYS 6 2HB CYS 6 0.909 1.058 -11.590
45 H CYS 7 H CYS 7 3.669 -0.944 -9.455
46 HA CYS 7 HA CYS 7 4.555 -1.595 -12.149
47 HB2 CYS 7 1HB CYS 7 5.981 -0.469 -10.440
48 HB3 CYS 7 2HB CYS 7 5.966 -1.955 -9.485
49 H THR 8 H THR 8 3.844 -3.393 -9.113
50 HA THR 8 HA THR 8 4.484 -5.920 -10.442
51 HB THR 8 HB THR 8 5.009 -5.474 -8.014
52 HG1 THR 8 HG1 THR 8 4.815 -7.608 -8.919
53 HG21 THR 8 1HG2 THR 8 3.328 -5.635 -6.339
54 HG22 THR 8 2HG2 THR 8 2.078 -6.060 -7.522
55 HG23 THR 8 3HG2 THR 8 2.748 -4.416 -7.490
56 H SER 9 H SER 9 1.534 -4.062 -9.864
57 HA SER 9 HA SER 9 0.083 -6.294 -11.200
58 HB2 SER 9 1HB SER 9 -0.874 -4.810 -8.693
59 HB3 SER 9 2HB SER 9 -1.810 -6.017 -9.598
60 HG SER 9 HG SER 9 0.570 -7.071 -9.058
61 H ILE 10 H ILE 10 -2.383 -5.419 -11.523
62 HA ILE 10 HA ILE 10 -1.829 -3.349 -13.515
63 HB ILE 10 HB ILE 10 -4.411 -4.850 -12.867
64 HG12 ILE 10 1HG1 ILE 10 -2.566 -6.336 -13.620
65 HG13 ILE 10 2HG1 ILE 10 -3.947 -6.305 -14.705
66 HG21 ILE 10 1HG2 ILE 10 -5.115 -4.126 -15.176
67 HG22 ILE 10 2HG2 ILE 10 -4.972 -2.792 -14.024
68 HG23 ILE 10 3HG2 ILE 10 -3.690 -3.053 -15.232
69 HD11 ILE 10 3HD1 ILE 10 -2.767 -4.956 -16.325
70 HD12 ILE 10 1HD1 ILE 10 -1.412 -4.699 -15.204
71 HD13 ILE 10 2HD1 ILE 10 -1.724 -6.315 -15.870
72 H CYS 11 H CYS 11 -2.152 -1.248 -13.284
73 HA CYS 11 HA CYS 11 -4.215 -0.344 -11.321
74 HB2 CYS 11 1HB CYS 11 -1.689 0.988 -12.328
75 HB3 CYS 11 2HB CYS 11 -3.012 1.893 -11.575
76 H SER 12 H SER 12 -6.011 -0.322 -12.505
77 HA SER 12 HA SER 12 -6.132 0.615 -15.260
78 HB2 SER 12 1HB SER 12 -7.797 -0.968 -14.315
79 HB3 SER 12 2HB SER 12 -8.319 0.278 -13.161
80 HG SER 12 HG SER 12 -9.527 -0.007 -15.246
81 H LEU 13 H LEU 13 -7.630 2.591 -15.707
82 HA LEU 13 HA LEU 13 -6.341 4.892 -14.799
83 HB2 LEU 13 1HB LEU 13 -8.062 6.143 -15.878
84 HB3 LEU 13 2HB LEU 13 -7.706 4.715 -16.832
85 HG LEU 13 HG LEU 13 -9.851 3.846 -15.335
86 HD11 LEU 13 1HD1 LEU 13 -10.231 6.092 -14.388
87 HD12 LEU 13 2HD1 LEU 13 -11.556 5.629 -15.469
88 HD13 LEU 13 3HD1 LEU 13 -10.321 6.779 -16.028
89 HD21 LEU 13 3HD2 LEU 13 -11.148 4.155 -17.401
90 HD22 LEU 13 1HD2 LEU 13 -9.522 3.526 -17.735
91 HD23 LEU 13 2HD2 LEU 13 -9.891 5.245 -18.031
92 H TYR 14 H TYR 14 -9.133 3.273 -13.321
93 HA TYR 14 HA TYR 14 -9.900 5.426 -11.616
94 HB2 TYR 14 1HB TYR 14 -10.115 2.480 -10.957
95 HB3 TYR 14 2HB TYR 14 -11.185 3.790 -10.445
96 HD1 TYR 14 HD1 TYR 14 -12.591 4.974 -12.285
97 HD2 TYR 14 HD2 TYR 14 -10.518 1.257 -12.943
98 HE1 TYR 14 HE1 TYR 14 -14.020 4.522 -14.283
99 HE2 TYR 14 HE2 TYR 14 -11.935 0.831 -14.958
100 HH TYR 14 HH TYR 14 -14.503 3.072 -15.992
101 H GLN 15 H GLN 15 -7.534 2.804 -11.232
102 HA GLN 15 HA GLN 15 -6.909 3.383 -8.458
103 HB2 GLN 15 1HB GLN 15 -5.402 1.930 -10.664
104 HB3 GLN 15 2HB GLN 15 -4.845 2.017 -8.996
105 HG2 GLN 15 1HG GLN 15 -7.521 0.823 -9.812
106 HG3 GLN 15 2HG GLN 15 -6.029 -0.114 -9.628
107 HE21 GLN 15 2HE2 GLN 15 -8.788 0.472 -8.083
108 HE22 GLN 15 1HE2 GLN 15 -8.241 0.416 -6.426
109 H LEU 16 H LEU 16 -5.672 4.322 -11.643
110 HA LEU 16 HA LEU 16 -3.359 5.700 -10.691
111 HB2 LEU 16 1HB LEU 16 -4.944 5.927 -13.255
112 HB3 LEU 16 2HB LEU 16 -3.417 6.760 -12.973
113 HG LEU 16 HG LEU 16 -3.768 3.742 -12.862
114 HD11 LEU 16 1HD1 LEU 16 -2.627 3.694 -15.016
115 HD12 LEU 16 2HD1 LEU 16 -2.612 5.475 -15.062
116 HD13 LEU 16 3HD1 LEU 16 -4.152 4.585 -15.121
117 HD21 LEU 16 3HD2 LEU 16 -1.296 5.510 -12.855
118 HD22 LEU 16 1HD2 LEU 16 -1.285 3.739 -13.026
119 HD23 LEU 16 2HD2 LEU 16 -1.873 4.473 -11.528
120 H GLU 17 H GLU 17 -6.715 6.815 -11.182
121 HA GLU 17 HA GLU 17 -6.242 9.598 -10.992
122 HB2 GLU 17 1HB GLU 17 -8.539 7.825 -10.136
123 HB3 GLU 17 2HB GLU 17 -8.599 9.582 -9.933
124 HG2 GLU 17 1HG GLU 17 -8.355 9.929 -12.313
125 HG3 GLU 17 2HG GLU 17 -8.106 8.212 -12.584
126 HE2 GLU 17 HE2 GLU 17 -9.903 9.761 -13.709
127 H ASN 18 H ASN 18 -6.092 7.160 -8.455
128 HA ASN 18 HA ASN 18 -6.406 8.924 -6.222
129 HB2 ASN 18 1HB ASN 18 -4.928 6.290 -6.482
130 HB3 ASN 18 2HB ASN 18 -5.185 7.136 -4.955
131 HD21 ASN 18 2HD2 ASN 18 -6.293 4.674 -6.728
132 HD22 ASN 18 1HD2 ASN 18 -7.971 4.675 -6.229
133 H TYR 19 H TYR 19 -3.659 8.374 -8.348
134 HA TYR 19 HA TYR 19 -1.594 9.351 -6.552
135 HB2 TYR 19 1HB TYR 19 -1.897 9.122 -9.547
136 HB3 TYR 19 2HB TYR 19 -0.475 9.868 -8.849
137 HD1 TYR 19 HD2 TYR 19 -2.412 6.638 -8.875
138 HD2 TYR 19 HD1 TYR 19 1.355 8.588 -8.145
139 HE1 TYR 19 HE2 TYR 19 -1.300 4.423 -8.668
140 HE2 TYR 19 HE1 TYR 19 2.458 6.368 -7.959
141 HH TYR 19 HH TYR 19 0.675 3.311 -8.264
142 H CYS 20 H CYS 20 -4.138 10.807 -8.389
143 HA CYS 20 HA CYS 20 -2.823 13.480 -8.318
144 HB2 CYS 20 1HB CYS 20 -5.311 12.607 -9.810
145 HB3 CYS 20 2HB CYS 20 -4.314 14.047 -10.109
146 H ASN 21 H ASN 21 -3.651 12.513 -5.926
147 HA ASN 21 HA ASN 21 -6.380 13.254 -5.260
148 HB2 ASN 21 1HB ASN 21 -4.989 11.503 -4.031
149 HB3 ASN 21 2HB ASN 21 -4.025 12.816 -3.354
150 HD21 ASN 21 2HD2 ASN 21 -6.895 10.970 -3.153
151 HD22 ASN 21 1HD2 ASN 21 -7.632 11.855 -1.840
152 HXT ASN 21 H02 ASN 21 -6.117 16.394 -4.229
153 H1 PHE 1 3H0 PHE 1 -9.018 4.145 -22.574
154 H2 PHE 1 2H0 PHE 1 -8.529 3.002 -23.657
155 H3 PHE 1 1H0 PHE 1 -9.521 2.583 -22.411
156 HA PHE 1 HA PHE 1 -6.734 3.503 -22.163
157 HB2 PHE 1 1HB PHE 1 -8.401 4.153 -20.330
158 HB3 PHE 1 2HB PHE 1 -8.565 2.426 -19.989
159 HD1 PHE 1 HD1 PHE 1 -6.093 5.235 -20.149
160 HD2 PHE 1 HD2 PHE 1 -6.968 1.307 -18.603
161 HE1 PHE 1 HE1 PHE 1 -4.060 5.347 -18.724
162 HE2 PHE 1 HE2 PHE 1 -4.930 1.417 -17.173
163 HZ PHE 1 HZ PHE 1 -3.466 3.433 -17.248
164 H VAL 2 H VAL 2 -5.271 1.735 -21.335
165 HA VAL 2 HA VAL 2 -6.354 -0.981 -21.894
166 HB VAL 2 HB VAL 2 -5.191 -0.302 -23.958
167 HG11 VAL 2 1HG1 VAL 2 -3.722 1.465 -23.101
168 HG12 VAL 2 2HG1 VAL 2 -2.761 0.267 -22.207
169 HG13 VAL 2 3HG1 VAL 2 -2.777 0.255 -23.983
170 HG21 VAL 2 3HG2 VAL 2 -4.969 -2.654 -23.200
171 HG22 VAL 2 1HG2 VAL 2 -3.563 -2.113 -24.136
172 HG23 VAL 2 2HG2 VAL 2 -3.453 -2.237 -22.366
173 H ASN 3 H ASN 3 -5.681 -2.479 -20.424
174 HA ASN 3 HA ASN 3 -4.349 -1.442 -18.040
175 HB2 ASN 3 1HB ASN 3 -5.437 -4.159 -18.845
176 HB3 ASN 3 2HB ASN 3 -4.559 -3.884 -17.339
177 HD21 ASN 3 2HD2 ASN 3 -7.438 -4.601 -18.006
178 HD22 ASN 3 1HD2 ASN 3 -8.379 -3.440 -17.102
179 H GLN 4 H GLN 4 -2.287 -1.681 -17.480
180 HA GLN 4 HA GLN 4 -0.725 -3.957 -18.350
181 HB2 GLN 4 1HB GLN 4 1.091 -2.618 -19.367
182 HB3 GLN 4 2HB GLN 4 -0.388 -2.504 -20.321
183 HG2 GLN 4 1HG GLN 4 -0.857 -0.283 -19.237
184 HG3 GLN 4 2HG GLN 4 0.716 -0.395 -18.437
185 HE21 GLN 4 2HE2 GLN 4 -0.824 -0.477 -21.646
186 HE22 GLN 4 1HE2 GLN 4 0.494 0.311 -22.480
187 H HIS 5 H HIS 5 1.112 -4.070 -17.013
188 HA HIS 5 HA HIS 5 1.009 -2.650 -14.472
189 HB2 HIS 5 1HB HIS 5 3.295 -4.209 -15.752
190 HB3 HIS 5 2HB HIS 5 3.196 -3.697 -14.066
191 HD1 HIS 5 HD1 HIS 5 0.498 -4.580 -13.142
192 HD2 HIS 5 HD2 HIS 5 2.794 -6.882 -15.701
193 HE1 HIS 5 HE1 HIS 5 -0.345 -6.999 -12.960
194 HE2 HIS 5 HE2 HIS 5 1.088 -8.369 -14.510
195 H LEU 6 H LEU 6 2.345 -0.919 -13.816
196 HA LEU 6 HA LEU 6 3.783 0.500 -16.033
197 HB2 LEU 6 1HB LEU 6 1.775 1.590 -14.042
198 HB3 LEU 6 2HB LEU 6 2.814 2.599 -15.035
199 HG LEU 6 HG LEU 6 0.835 0.652 -16.233
200 HD11 LEU 6 1HD1 LEU 6 0.447 3.574 -15.514
201 HD12 LEU 6 2HD1 LEU 6 -0.398 2.176 -14.806
202 HD13 LEU 6 3HD1 LEU 6 -0.662 2.600 -16.508
203 HD21 LEU 6 3HD2 LEU 6 2.253 3.115 -17.323
204 HD22 LEU 6 1HD2 LEU 6 1.033 2.164 -18.193
205 HD23 LEU 6 2HD2 LEU 6 2.581 1.418 -17.765
206 H CYS 7 H CYS 7 5.847 0.732 -15.442
207 HA CYS 7 HA CYS 7 6.429 1.235 -12.548
208 HB2 CYS 7 1HB CYS 7 8.229 -0.084 -14.607
209 HB3 CYS 7 2HB CYS 7 8.537 0.062 -12.876
210 H GLY 8 H GLY 8 8.104 2.753 -12.097
211 HA2 GLY 8 1HA GLY 8 9.365 4.646 -12.466
212 HA3 GLY 8 2HA GLY 8 9.869 3.836 -13.952
213 H SER 9 H SER 9 9.927 5.407 -15.421
214 HA SER 9 HA SER 9 8.264 7.661 -15.511
215 HB2 SER 9 1HB SER 9 9.477 6.392 -17.967
216 HB3 SER 9 2HB SER 9 9.317 8.116 -17.557
217 HG SER 9 HG SER 9 11.421 7.544 -17.138
218 H HIS 10 H HIS 10 7.608 4.406 -16.800
219 HA HIS 10 HA HIS 10 5.598 5.221 -18.685
220 HB2 HIS 10 1HB HIS 10 6.407 2.695 -17.368
221 HB3 HIS 10 2HB HIS 10 4.707 2.781 -17.824
222 HD1 HIS 10 HD1 HIS 10 4.127 2.292 -20.243
223 HD2 HIS 10 HD2 HIS 10 8.197 3.140 -19.672
224 HE1 HIS 10 HE1 HIS 10 5.289 1.904 -22.478
225 HE2 HIS 10 HE2 HIS 10 7.740 2.427 -22.117
226 H LEU 11 H LEU 11 5.529 4.665 -15.189
227 HA LEU 11 HA LEU 11 2.657 4.761 -14.954
228 HB2 LEU 11 1HB LEU 11 4.198 3.840 -13.235
229 HB3 LEU 11 2HB LEU 11 4.852 5.451 -12.970
230 HG LEU 11 HG LEU 11 2.680 6.212 -12.094
231 HD11 LEU 11 1HD1 LEU 11 0.972 4.513 -11.509
232 HD12 LEU 11 2HD1 LEU 11 1.871 3.306 -12.455
233 HD13 LEU 11 3HD1 LEU 11 1.148 4.721 -13.259
234 HD21 LEU 11 3HD2 LEU 11 2.844 4.979 -10.006
235 HD22 LEU 11 1HD2 LEU 11 4.463 5.288 -10.656
236 HD23 LEU 11 2HD2 LEU 11 3.732 3.667 -10.813
237 H VAL 12 H VAL 12 5.267 7.173 -14.718
238 HA VAL 12 HA VAL 12 3.610 9.380 -14.008
239 HB VAL 12 HB VAL 12 6.262 9.338 -15.535
240 HG11 VAL 12 1HG1 VAL 12 6.573 11.623 -14.710
241 HG12 VAL 12 2HG1 VAL 12 5.105 11.511 -15.698
242 HG13 VAL 12 3HG1 VAL 12 4.979 11.573 -13.927
243 HG21 VAL 12 3HG2 VAL 12 5.668 9.496 -12.543
244 HG22 VAL 12 1HG2 VAL 12 6.489 8.169 -13.398
245 HG23 VAL 12 2HG2 VAL 12 7.270 9.754 -13.273
246 H GLU 13 H GLU 13 4.678 8.103 -17.177
247 HA GLU 13 HA GLU 13 3.521 10.162 -18.787
248 HB2 GLU 13 1HB GLU 13 4.096 7.226 -19.289
249 HB3 GLU 13 2HB GLU 13 3.479 8.303 -20.545
250 HG2 GLU 13 1HG GLU 13 5.457 9.657 -20.481
251 HG3 GLU 13 2HG GLU 13 6.051 8.838 -19.034
252 HE2 GLU 13 HE2 GLU 13 6.007 8.948 -22.208
253 H ALA 14 H ALA 14 2.180 7.205 -17.348
254 HA ALA 14 HA ALA 14 -0.302 7.332 -18.821
255 HB1 ALA 14 3HB ALA 14 -1.062 5.648 -17.214
256 HB2 ALA 14 1HB ALA 14 0.584 5.264 -17.772
257 HB3 ALA 14 2HB ALA 14 0.334 5.989 -16.165
258 H LEU 15 H LEU 15 0.819 8.608 -15.683
259 HA LEU 15 HA LEU 15 -1.755 9.383 -14.736
260 HB2 LEU 15 1HB LEU 15 1.030 10.408 -14.150
261 HB3 LEU 15 2HB LEU 15 -0.400 11.028 -13.336
262 HG LEU 15 HG LEU 15 0.497 8.136 -13.233
263 HD11 LEU 15 1HD1 LEU 15 2.078 9.651 -12.100
264 HD12 LEU 15 2HD1 LEU 15 1.215 8.595 -10.966
265 HD13 LEU 15 3HD1 LEU 15 0.735 10.300 -11.130
266 HD21 LEU 15 3HD2 LEU 15 -1.891 8.364 -12.953
267 HD22 LEU 15 1HD2 LEU 15 -1.646 9.645 -11.749
268 HD23 LEU 15 2HD2 LEU 15 -1.127 7.978 -11.407
269 H TYR 16 H TYR 16 0.508 11.033 -16.930
270 HA TYR 16 HA TYR 16 -0.787 13.590 -16.880
271 HB2 TYR 16 1HB TYR 16 0.758 12.104 -19.029
272 HB3 TYR 16 2HB TYR 16 0.012 13.671 -19.341
273 HD1 TYR 16 HD1 TYR 16 0.653 15.664 -17.821
274 HD2 TYR 16 HD2 TYR 16 2.923 12.018 -18.021
275 HE1 TYR 16 HE1 TYR 16 2.640 16.841 -16.870
276 HE2 TYR 16 HE2 TYR 16 4.912 13.212 -17.096
277 HH TYR 16 HH TYR 16 4.822 16.657 -16.201
278 H LEU 17 H LEU 17 -1.470 10.610 -18.727
279 HA LEU 17 HA LEU 17 -3.548 11.841 -20.308
280 HB2 LEU 17 1HB LEU 17 -3.100 8.927 -19.599
281 HB3 LEU 17 2HB LEU 17 -4.167 9.540 -20.853
282 HG LEU 17 HG LEU 17 -1.147 9.879 -20.854
283 HD11 LEU 17 1HD1 LEU 17 -1.803 7.504 -20.964
284 HD12 LEU 17 2HD1 LEU 17 -1.128 8.063 -22.511
285 HD13 LEU 17 3HD1 LEU 17 -2.888 7.863 -22.331
286 HD21 LEU 17 3HD2 LEU 17 -1.474 10.395 -23.261
287 HD22 LEU 17 1HD2 LEU 17 -2.280 11.574 -22.212
288 HD23 LEU 17 2HD2 LEU 17 -3.237 10.315 -23.029
289 H VAL 18 H VAL 18 -3.555 9.827 -17.363
290 HA VAL 18 HA VAL 18 -6.427 9.536 -17.340
291 HB VAL 18 HB VAL 18 -4.306 9.073 -15.190
292 HG11 VAL 18 1HG1 VAL 18 -7.253 8.316 -15.219
293 HG12 VAL 18 2HG1 VAL 18 -6.050 7.644 -14.095
294 HG13 VAL 18 3HG1 VAL 18 -6.418 9.371 -14.054
295 HG21 VAL 18 3HG2 VAL 18 -4.634 6.703 -15.792
296 HG22 VAL 18 1HG2 VAL 18 -5.784 7.178 -17.056
297 HG23 VAL 18 2HG2 VAL 18 -4.078 7.652 -17.174
298 H CYS 19 H CYS 19 -4.156 11.688 -15.651
299 HA CYS 19 HA CYS 19 -6.449 12.899 -14.223
300 HB2 CYS 19 1HB CYS 19 -3.458 13.301 -13.957
301 HB3 CYS 19 2HB CYS 19 -4.696 14.064 -12.933
302 H GLY 20 H GLY 20 -4.797 13.365 -17.141
303 HA2 GLY 20 1HA GLY 20 -5.150 14.982 -18.715
304 HA3 GLY 20 2HA GLY 20 -6.430 15.627 -17.683
305 H GLU 21 H GLU 21 -5.904 17.670 -18.401
306 HA GLU 21 HA GLU 21 -3.332 18.880 -18.145
307 HB2 GLU 21 1HB GLU 21 -6.119 20.084 -18.273
308 HB3 GLU 21 2HB GLU 21 -4.618 21.001 -18.454
309 HG2 GLU 21 1HG GLU 21 -4.047 19.725 -20.469
310 HG3 GLU 21 2HG GLU 21 -5.509 18.743 -20.285
311 HE2 GLU 21 HE2 GLU 21 -4.246 21.114 -21.781
312 H ARG 22 H ARG 22 -5.419 17.965 -15.644
313 HA ARG 22 HA ARG 22 -5.191 20.229 -13.886
314 HB2 ARG 22 1HB ARG 22 -5.446 17.292 -13.217
315 HB3 ARG 22 2HB ARG 22 -5.725 18.634 -12.104
316 HG2 ARG 22 1HG ARG 22 -7.613 19.400 -13.570
317 HG3 ARG 22 2HG ARG 22 -7.384 17.930 -14.547
318 HD2 ARG 22 1HD ARG 22 -8.007 18.047 -11.578
319 HD3 ARG 22 2HD ARG 22 -9.138 17.571 -12.865
320 HE ARG 22 HE ARG 22 -7.068 15.854 -13.270
321 HH11 ARG 22 1HH1 ARG 22 -8.789 16.663 -10.282
322 HH12 ARG 22 2HH1 ARG 22 -8.472 15.106 -9.567
323 HH21 ARG 22 1HH2 ARG 22 -6.741 13.878 -12.286
324 HH22 ARG 22 2HH2 ARG 22 -7.340 13.568 -10.678
325 H GLY 23 H GLY 23 -3.042 17.600 -14.741
326 HA2 GLY 23 1HA GLY 23 -0.776 17.386 -14.176
327 HA3 GLY 23 2HA GLY 23 -0.934 18.735 -13.032
328 H PHE 24 H PHE 24 0.460 16.875 -11.945
329 HA PHE 24 HA PHE 24 -1.138 15.719 -9.828
330 HB2 PHE 24 1HB PHE 24 -0.577 13.374 -10.281
331 HB3 PHE 24 2HB PHE 24 -1.572 14.040 -11.578
332 HD1 PHE 24 HD2 PHE 24 -0.652 14.486 -13.794
333 HD2 PHE 24 HD1 PHE 24 1.722 12.726 -10.689
334 HE1 PHE 24 HE2 PHE 24 1.040 13.816 -15.466
335 HE2 PHE 24 HE1 PHE 24 3.415 12.038 -12.352
336 HZ PHE 24 HZ PHE 24 3.082 12.597 -14.769
337 H PHE 25 H PHE 25 0.574 14.167 -8.583
338 HA PHE 25 HA PHE 25 3.289 15.373 -8.867
339 HB2 PHE 25 1HB PHE 25 3.488 15.358 -6.410
340 HB3 PHE 25 2HB PHE 25 2.194 16.430 -6.952
341 HD1 PHE 25 HD2 PHE 25 2.968 13.241 -5.236
342 HD2 PHE 25 HD1 PHE 25 -0.146 15.950 -6.458
343 HE1 PHE 25 HE2 PHE 25 1.355 12.045 -3.764
344 HE2 PHE 25 HE1 PHE 25 -1.762 14.767 -4.984
345 HZ PHE 25 HZ PHE 25 -1.021 12.801 -3.643
346 H TYR 26 H TYR 26 4.965 13.962 -7.836
347 HA TYR 26 HA TYR 26 4.186 11.094 -7.675
348 HB2 TYR 26 1HB TYR 26 4.911 11.453 -9.999
349 HB3 TYR 26 2HB TYR 26 6.399 12.231 -9.429
350 HD1 TYR 26 HD1 TYR 26 4.504 8.992 -9.366
351 HD2 TYR 26 HD2 TYR 26 8.315 10.927 -8.845
352 HE1 TYR 26 HE1 TYR 26 5.614 6.774 -9.189
353 HE2 TYR 26 HE2 TYR 26 9.417 8.701 -8.680
354 HH TYR 26 HH TYR 26 9.149 6.455 -8.694
355 H THR 27 H THR 27 5.480 9.955 -6.234
356 HA THR 27 HA THR 27 7.279 11.662 -4.588
357 HB THR 27 HB THR 27 6.875 9.927 -2.820
358 HG1 THR 27 HG1 THR 27 6.307 8.263 -4.356
359 HG21 THR 27 1HG2 THR 27 4.602 10.617 -2.300
360 HG22 THR 27 2HG2 THR 27 4.303 11.080 -3.988
361 HG23 THR 27 3HG2 THR 27 5.465 12.003 -3.001
362 HA PRO 28 HA PRO 28 10.306 8.706 -6.292
363 HB2 PRO 28 1HB PRO 28 12.508 10.284 -6.203
364 HB3 PRO 28 2HB PRO 28 11.262 10.512 -7.474
365 HG2 PRO 28 1HG PRO 28 11.608 11.986 -4.873
366 HG3 PRO 28 2HG PRO 28 11.421 12.652 -6.526
367 HD2 PRO 28 1HD PRO 28 9.328 12.411 -4.798
368 HD3 PRO 28 2HD PRO 28 9.130 12.203 -6.572
369 H LYS 29 H LYS 29 12.462 7.931 -5.244
370 HA LYS 29 HA LYS 29 12.379 8.383 -2.288
371 HB2 LYS 29 1HB LYS 29 13.353 6.086 -2.069
372 HB3 LYS 29 2HB LYS 29 11.670 6.148 -2.567
373 HG2 LYS 29 1HG LYS 29 12.068 5.278 -4.660
374 HG3 LYS 29 2HG LYS 29 13.695 5.939 -4.772
375 HD2 LYS 29 1HD LYS 29 12.903 3.599 -2.987
376 HD3 LYS 29 2HD LYS 29 13.638 3.440 -4.588
377 HE2 LYS 29 1HE LYS 29 14.923 4.714 -2.123
378 HE3 LYS 29 2HE LYS 29 15.339 3.153 -2.841
379 HZ1 LYS 29 3HZ LYS 29 16.917 4.816 -3.509
380 HZ2 LYS 29 1HZ LYS 29 15.741 5.815 -4.093
381 HZ3 LYS 29 2HZ LYS 29 16.057 4.374 -4.843
382 H THR 30 H THR 30 13.842 9.955 -2.148
383 HA THR 30 HA THR 30 16.638 9.267 -2.872
384 HB THR 30 HB THR 30 15.768 10.743 -4.686
385 HG1 THR 30 HG1 THR 30 17.400 12.447 -4.286
386 HG21 THR 30 1HG2 THR 30 15.345 12.815 -2.451
387 HG22 THR 30 2HG2 THR 30 14.057 12.050 -3.403
388 HG23 THR 30 3HG2 THR 30 15.219 13.122 -4.189
389 HXT THR 30 H02 THR 30 17.878 11.059 -2.025
Start of MODEL 16
1 H1 GLY 1 3H0 GLY 1 1.268 -1.133 -1.240
2 H2 GLY 1 2H0 GLY 1 2.799 -0.758 -1.731
3 H3 GLY 1 1H0 GLY 1 2.348 -0.501 -0.165
4 HA2 GLY 1 1HA GLY 1 0.789 1.181 -0.808
5 HA3 GLY 1 2HA GLY 1 2.429 1.567 -1.372
6 H ILE 2 H ILE 2 0.417 2.848 -2.644
7 HA ILE 2 HA ILE 2 -0.855 1.426 -4.730
8 HB ILE 2 HB ILE 2 -1.506 3.665 -3.794
9 HG12 ILE 2 1HG1 ILE 2 -1.208 3.584 -6.812
10 HG13 ILE 2 2HG1 ILE 2 -2.422 2.697 -5.890
11 HG21 ILE 2 1HG2 ILE 2 0.805 4.711 -3.844
12 HG22 ILE 2 2HG2 ILE 2 0.663 4.840 -5.611
13 HG23 ILE 2 3HG2 ILE 2 -0.455 5.730 -4.557
14 HD11 ILE 2 3HD1 ILE 2 -3.295 4.910 -5.031
15 HD12 ILE 2 1HD1 ILE 2 -2.169 5.728 -6.150
16 HD13 ILE 2 2HD1 ILE 2 -3.453 4.681 -6.786
17 H VAL 3 H VAL 3 2.351 3.010 -4.712
18 HA VAL 3 HA VAL 3 2.682 2.809 -7.543
19 HB VAL 3 HB VAL 3 4.004 4.374 -6.192
20 HG11 VAL 3 1HG1 VAL 3 5.851 3.669 -4.779
21 HG12 VAL 3 2HG1 VAL 3 4.341 2.966 -4.176
22 HG13 VAL 3 3HG1 VAL 3 5.495 1.960 -5.092
23 HG21 VAL 3 3HG2 VAL 3 4.842 3.591 -8.399
24 HG22 VAL 3 1HG2 VAL 3 6.151 4.064 -7.296
25 HG23 VAL 3 2HG2 VAL 3 5.799 2.340 -7.579
26 H GLU 4 H GLU 4 3.392 0.523 -4.881
27 HA GLU 4 HA GLU 4 4.798 -1.332 -6.574
28 HB2 GLU 4 1HB GLU 4 3.230 -1.721 -4.001
29 HB3 GLU 4 2HB GLU 4 4.028 -3.040 -4.856
30 HG2 GLU 4 1HG GLU 4 5.572 -2.433 -3.236
31 HG3 GLU 4 2HG GLU 4 6.167 -1.667 -4.714
32 HE2 GLU 4 HE2 GLU 4 7.230 -0.335 -3.539
33 H GLN 5 H GLN 5 1.349 -0.899 -5.721
34 HA GLN 5 HA GLN 5 0.407 -3.265 -6.957
35 HB2 GLN 5 1HB GLN 5 -0.861 -1.715 -5.440
36 HB3 GLN 5 2HB GLN 5 -1.026 -0.587 -6.792
37 HG2 GLN 5 1HG GLN 5 -2.358 -2.164 -8.039
38 HG3 GLN 5 2HG GLN 5 -2.011 -3.453 -6.876
39 HE21 GLN 5 2HE2 GLN 5 -4.365 -3.650 -6.799
40 HE22 GLN 5 1HE2 GLN 5 -5.247 -2.614 -5.707
41 H CYS 6 H CYS 6 1.032 -0.009 -8.324
42 HA CYS 6 HA CYS 6 0.076 -0.762 -10.961
43 HB2 CYS 6 1HB CYS 6 1.814 1.521 -9.976
44 HB3 CYS 6 2HB CYS 6 1.319 1.324 -11.656
45 H CYS 7 H CYS 7 3.294 -0.739 -9.383
46 HA CYS 7 HA CYS 7 4.716 -1.192 -11.835
47 HB2 CYS 7 1HB CYS 7 5.444 -1.675 -8.931
48 HB3 CYS 7 2HB CYS 7 6.566 -1.935 -10.272
49 H THR 8 H THR 8 3.659 -3.433 -9.218
50 HA THR 8 HA THR 8 4.838 -5.662 -10.718
51 HB THR 8 HB THR 8 4.992 -5.333 -8.174
52 HG1 THR 8 HG1 THR 8 5.420 -7.315 -9.427
53 HG21 THR 8 1HG2 THR 8 2.355 -6.812 -8.108
54 HG22 THR 8 2HG2 THR 8 2.416 -5.043 -7.950
55 HG23 THR 8 3HG2 THR 8 3.257 -6.068 -6.772
56 H SER 9 H SER 9 1.642 -4.287 -10.351
57 HA SER 9 HA SER 9 0.627 -6.550 -11.981
58 HB2 SER 9 1HB SER 9 0.126 -6.895 -9.479
59 HB3 SER 9 2HB SER 9 -0.925 -5.468 -9.584
60 HG SER 9 HG SER 9 -1.911 -7.627 -9.942
61 H ILE 10 H ILE 10 -2.054 -5.728 -12.132
62 HA ILE 10 HA ILE 10 -1.594 -3.289 -13.784
63 HB ILE 10 HB ILE 10 -4.019 -5.149 -13.794
64 HG12 ILE 10 1HG1 ILE 10 -1.970 -6.397 -14.442
65 HG13 ILE 10 2HG1 ILE 10 -3.172 -6.271 -15.716
66 HG21 ILE 10 1HG2 ILE 10 -4.490 -2.911 -14.690
67 HG22 ILE 10 2HG2 ILE 10 -3.065 -3.000 -15.755
68 HG23 ILE 10 3HG2 ILE 10 -4.457 -4.087 -16.015
69 HD11 ILE 10 3HD1 ILE 10 -0.800 -5.993 -16.479
70 HD12 ILE 10 1HD1 ILE 10 -1.877 -4.658 -16.924
71 HD13 ILE 10 2HD1 ILE 10 -0.741 -4.466 -15.571
72 H CYS 11 H CYS 11 -1.987 -1.448 -12.634
73 HA CYS 11 HA CYS 11 -4.321 -1.438 -10.794
74 HB2 CYS 11 1HB CYS 11 -3.563 0.750 -10.094
75 HB3 CYS 11 2HB CYS 11 -2.238 -0.406 -9.984
76 H SER 12 H SER 12 -6.143 -0.170 -11.260
77 HA SER 12 HA SER 12 -6.571 0.159 -14.146
78 HB2 SER 12 1HB SER 12 -8.906 0.492 -13.523
79 HB3 SER 12 2HB SER 12 -8.250 -0.916 -12.661
80 HG SER 12 HG SER 12 -9.199 0.199 -11.081
81 H LEU 13 H LEU 13 -7.834 2.148 -14.903
82 HA LEU 13 HA LEU 13 -6.304 4.489 -14.404
83 HB2 LEU 13 1HB LEU 13 -7.839 5.640 -15.808
84 HB3 LEU 13 2HB LEU 13 -7.568 4.038 -16.469
85 HG LEU 13 HG LEU 13 -9.851 3.553 -15.089
86 HD11 LEU 13 1HD1 LEU 13 -10.042 6.463 -15.997
87 HD12 LEU 13 2HD1 LEU 13 -10.116 5.884 -14.317
88 HD13 LEU 13 3HD1 LEU 13 -11.402 5.453 -15.457
89 HD21 LEU 13 3HD2 LEU 13 -9.647 4.773 -17.869
90 HD22 LEU 13 1HD2 LEU 13 -11.008 3.809 -17.246
91 HD23 LEU 13 2HD2 LEU 13 -9.414 3.055 -17.456
92 H TYR 14 H TYR 14 -9.156 3.206 -12.803
93 HA TYR 14 HA TYR 14 -9.950 5.645 -11.519
94 HB2 TYR 14 1HB TYR 14 -10.292 2.834 -10.444
95 HB3 TYR 14 2HB TYR 14 -11.325 4.239 -10.153
96 HD1 TYR 14 HD2 TYR 14 -12.508 5.254 -12.305
97 HD2 TYR 14 HD1 TYR 14 -10.826 1.297 -12.125
98 HE1 TYR 14 HE2 TYR 14 -13.890 4.569 -14.272
99 HE2 TYR 14 HE1 TYR 14 -12.193 0.631 -14.111
100 HH TYR 14 HH TYR 14 -14.461 2.870 -15.702
101 H GLN 15 H GLN 15 -7.703 3.011 -10.701
102 HA GLN 15 HA GLN 15 -7.032 4.011 -8.069
103 HB2 GLN 15 1HB GLN 15 -5.490 2.230 -9.972
104 HB3 GLN 15 2HB GLN 15 -5.070 2.557 -8.290
105 HG2 GLN 15 1HG GLN 15 -7.513 1.743 -7.823
106 HG3 GLN 15 2HG GLN 15 -7.336 0.948 -9.397
107 HE21 GLN 15 2HE2 GLN 15 -6.269 1.144 -6.104
108 HE22 GLN 15 1HE2 GLN 15 -5.246 -0.264 -6.124
109 H LEU 16 H LEU 16 -5.793 4.497 -11.369
110 HA LEU 16 HA LEU 16 -3.467 5.958 -10.622
111 HB2 LEU 16 1HB LEU 16 -5.116 5.934 -13.145
112 HB3 LEU 16 2HB LEU 16 -3.664 6.913 -12.973
113 HG LEU 16 HG LEU 16 -3.724 3.894 -12.631
114 HD11 LEU 16 1HD1 LEU 16 -2.810 5.530 -15.020
115 HD12 LEU 16 2HD1 LEU 16 -4.284 4.536 -14.943
116 HD13 LEU 16 3HD1 LEU 16 -2.699 3.763 -14.835
117 HD21 LEU 16 3HD2 LEU 16 -1.426 5.869 -12.914
118 HD22 LEU 16 1HD2 LEU 16 -1.264 4.098 -12.915
119 HD23 LEU 16 2HD2 LEU 16 -1.844 4.928 -11.465
120 H GLU 17 H GLU 17 -6.858 7.013 -10.991
121 HA GLU 17 HA GLU 17 -6.295 9.814 -10.932
122 HB2 GLU 17 1HB GLU 17 -8.702 8.256 -9.945
123 HB3 GLU 17 2HB GLU 17 -8.593 10.017 -9.928
124 HG2 GLU 17 1HG GLU 17 -8.060 9.821 -12.433
125 HG3 GLU 17 2HG GLU 17 -8.706 8.180 -12.300
126 HE2 GLU 17 HE2 GLU 17 -11.899 9.225 -12.159
127 H ASN 18 H ASN 18 -6.083 7.444 -8.348
128 HA ASN 18 HA ASN 18 -6.465 9.266 -6.168
129 HB2 ASN 18 1HB ASN 18 -4.823 6.721 -6.301
130 HB3 ASN 18 2HB ASN 18 -5.223 7.591 -4.819
131 HD21 ASN 18 2HD2 ASN 18 -5.885 4.861 -5.650
132 HD22 ASN 18 1HD2 ASN 18 -7.629 4.770 -5.567
133 H TYR 19 H TYR 19 -3.763 8.703 -8.325
134 HA TYR 19 HA TYR 19 -1.676 9.828 -6.655
135 HB2 TYR 19 1HB TYR 19 -2.025 9.464 -9.627
136 HB3 TYR 19 2HB TYR 19 -0.576 10.166 -8.948
137 HD1 TYR 19 HD1 TYR 19 -2.549 7.024 -9.161
138 HD2 TYR 19 HD2 TYR 19 1.136 8.842 -7.921
139 HE1 TYR 19 HE1 TYR 19 -1.517 4.775 -8.952
140 HE2 TYR 19 HE2 TYR 19 2.158 6.584 -7.694
141 HH TYR 19 HH TYR 19 0.349 3.593 -8.472
142 H CYS 20 H CYS 20 -4.348 11.150 -8.423
143 HA CYS 20 HA CYS 20 -3.344 13.906 -7.906
144 HB2 CYS 20 1HB CYS 20 -4.577 14.566 -10.012
145 HB3 CYS 20 2HB CYS 20 -3.084 13.670 -10.240
146 H ASN 21 H ASN 21 -4.671 12.548 -6.102
147 HA ASN 21 HA ASN 21 -6.365 12.550 -4.637
148 HB2 ASN 21 1HB ASN 21 -6.334 14.971 -4.732
149 HB3 ASN 21 2HB ASN 21 -7.280 14.959 -6.212
150 HD21 ASN 21 2HD2 ASN 21 -9.289 15.612 -5.841
151 HD22 ASN 21 1HD2 ASN 21 -10.252 15.157 -4.458
152 HXT ASN 21 H02 ASN 21 -9.120 11.817 -7.236
153 H1 PHE 1 3H0 PHE 1 -8.739 3.852 -22.361
154 H2 PHE 1 2H0 PHE 1 -8.193 2.822 -23.529
155 H3 PHE 1 1H0 PHE 1 -9.076 2.240 -22.265
156 HA PHE 1 HA PHE 1 -6.383 3.425 -22.089
157 HB2 PHE 1 1HB PHE 1 -7.997 3.828 -20.151
158 HB3 PHE 1 2HB PHE 1 -8.015 2.077 -19.907
159 HD1 PHE 1 HD1 PHE 1 -5.922 5.144 -19.765
160 HD2 PHE 1 HD2 PHE 1 -6.134 0.932 -18.879
161 HE1 PHE 1 HE1 PHE 1 -3.855 5.332 -18.388
162 HE2 PHE 1 HE2 PHE 1 -4.068 1.116 -17.503
163 HZ PHE 1 HZ PHE 1 -2.918 3.315 -17.269
164 H VAL 2 H VAL 2 -4.668 1.870 -21.853
165 HA VAL 2 HA VAL 2 -5.514 -0.920 -22.544
166 HB VAL 2 HB VAL 2 -2.888 0.517 -23.200
167 HG11 VAL 2 1HG1 VAL 2 -2.423 -1.508 -24.595
168 HG12 VAL 2 2HG1 VAL 2 -2.532 -1.897 -22.869
169 HG13 VAL 2 3HG1 VAL 2 -3.895 -2.272 -23.951
170 HG21 VAL 2 3HG2 VAL 2 -3.667 0.325 -25.578
171 HG22 VAL 2 1HG2 VAL 2 -5.240 -0.259 -24.988
172 HG23 VAL 2 2HG2 VAL 2 -4.693 1.391 -24.603
173 H ASN 3 H ASN 3 -4.985 -2.482 -21.111
174 HA ASN 3 HA ASN 3 -3.739 -1.731 -18.604
175 HB2 ASN 3 1HB ASN 3 -3.705 -4.266 -18.255
176 HB3 ASN 3 2HB ASN 3 -5.305 -3.493 -18.398
177 HD21 ASN 3 2HD2 ASN 3 -3.563 -6.123 -19.316
178 HD22 ASN 3 1HD2 ASN 3 -4.412 -6.530 -20.785
179 H GLN 4 H GLN 4 -1.733 -1.760 -18.014
180 HA GLN 4 HA GLN 4 0.094 -3.824 -18.917
181 HB2 GLN 4 1HB GLN 4 1.847 -2.262 -19.688
182 HB3 GLN 4 2HB GLN 4 0.441 -2.189 -20.753
183 HG2 GLN 4 1HG GLN 4 -0.304 -0.114 -19.608
184 HG3 GLN 4 2HG GLN 4 1.141 -0.185 -18.590
185 HE21 GLN 4 2HE2 GLN 4 -0.040 0.212 -21.882
186 HE22 GLN 4 1HE2 GLN 4 1.377 1.042 -22.478
187 H HIS 5 H HIS 5 1.825 -3.858 -17.432
188 HA HIS 5 HA HIS 5 1.353 -2.690 -14.820
189 HB2 HIS 5 1HB HIS 5 3.924 -3.843 -15.995
190 HB3 HIS 5 2HB HIS 5 3.611 -3.516 -14.287
191 HD1 HIS 5 HD1 HIS 5 0.979 -4.781 -13.711
192 HD2 HIS 5 HD2 HIS 5 3.748 -6.558 -16.241
193 HE1 HIS 5 HE1 HIS 5 0.410 -7.279 -13.826
194 HE2 HIS 5 HE2 HIS 5 2.123 -8.328 -15.347
195 H LEU 6 H LEU 6 2.298 -0.847 -13.922
196 HA LEU 6 HA LEU 6 3.694 0.955 -15.872
197 HB2 LEU 6 1HB LEU 6 1.410 1.550 -13.973
198 HB3 LEU 6 2HB LEU 6 2.353 2.791 -14.783
199 HG LEU 6 HG LEU 6 0.765 0.693 -16.272
200 HD11 LEU 6 1HD1 LEU 6 -0.921 2.475 -16.581
201 HD12 LEU 6 2HD1 LEU 6 -0.020 3.496 -15.435
202 HD13 LEU 6 3HD1 LEU 6 -0.753 1.968 -14.889
203 HD21 LEU 6 3HD2 LEU 6 0.924 2.379 -18.123
204 HD22 LEU 6 1HD2 LEU 6 2.488 1.694 -17.655
205 HD23 LEU 6 2HD2 LEU 6 2.030 3.328 -17.110
206 H CYS 7 H CYS 7 5.675 1.280 -15.103
207 HA CYS 7 HA CYS 7 5.935 2.143 -12.277
208 HB2 CYS 7 1HB CYS 7 6.523 -0.403 -12.845
209 HB3 CYS 7 2HB CYS 7 8.015 0.320 -13.455
210 H GLY 8 H GLY 8 7.925 3.418 -11.956
211 HA2 GLY 8 1HA GLY 8 9.440 5.022 -12.637
212 HA3 GLY 8 2HA GLY 8 9.760 3.969 -14.027
213 H SER 9 H SER 9 9.883 5.395 -15.676
214 HA SER 9 HA SER 9 8.313 7.734 -15.961
215 HB2 SER 9 1HB SER 9 9.071 7.607 -18.352
216 HB3 SER 9 2HB SER 9 10.384 7.441 -17.164
217 HG SER 9 HG SER 9 10.540 5.856 -18.791
218 H HIS 10 H HIS 10 7.565 4.373 -16.874
219 HA HIS 10 HA HIS 10 5.462 5.030 -18.728
220 HB2 HIS 10 1HB HIS 10 6.178 2.620 -17.088
221 HB3 HIS 10 2HB HIS 10 4.542 2.729 -17.729
222 HD1 HIS 10 HD1 HIS 10 4.286 1.475 -19.870
223 HD2 HIS 10 HD2 HIS 10 8.074 3.275 -19.511
224 HE1 HIS 10 HE1 HIS 10 5.575 0.928 -21.981
225 HE2 HIS 10 HE2 HIS 10 7.858 2.004 -21.756
226 H LEU 11 H LEU 11 5.543 4.682 -15.182
227 HA LEU 11 HA LEU 11 2.693 4.886 -14.853
228 HB2 LEU 11 1HB LEU 11 4.245 3.976 -13.150
229 HB3 LEU 11 2HB LEU 11 4.966 5.565 -12.956
230 HG LEU 11 HG LEU 11 2.906 6.438 -11.986
231 HD11 LEU 11 1HD1 LEU 11 1.819 3.626 -12.392
232 HD12 LEU 11 2HD1 LEU 11 1.211 5.126 -13.138
233 HD13 LEU 11 3HD1 LEU 11 1.057 4.886 -11.391
234 HD21 LEU 11 3HD2 LEU 11 2.997 5.168 -9.904
235 HD22 LEU 11 1HD2 LEU 11 4.628 5.314 -10.587
236 HD23 LEU 11 2HD2 LEU 11 3.733 3.783 -10.744
237 H VAL 12 H VAL 12 5.366 7.254 -14.819
238 HA VAL 12 HA VAL 12 3.785 9.514 -14.129
239 HB VAL 12 HB VAL 12 6.334 9.338 -15.812
240 HG11 VAL 12 1HG1 VAL 12 5.121 11.731 -14.384
241 HG12 VAL 12 2HG1 VAL 12 6.699 11.694 -15.199
242 HG13 VAL 12 3HG1 VAL 12 5.213 11.500 -16.144
243 HG21 VAL 12 3HG2 VAL 12 6.627 8.380 -13.564
244 HG22 VAL 12 1HG2 VAL 12 7.471 9.935 -13.672
245 HG23 VAL 12 2HG2 VAL 12 5.908 9.832 -12.828
246 H GLU 13 H GLU 13 4.645 8.170 -17.371
247 HA GLU 13 HA GLU 13 3.251 10.261 -18.771
248 HB2 GLU 13 1HB GLU 13 4.057 7.474 -19.649
249 HB3 GLU 13 2HB GLU 13 3.371 8.706 -20.718
250 HG2 GLU 13 1HG GLU 13 6.002 8.869 -19.218
251 HG3 GLU 13 2HG GLU 13 5.780 8.713 -20.964
252 HE2 GLU 13 HE2 GLU 13 4.622 12.030 -21.169
253 H ALA 14 H ALA 14 2.196 7.193 -17.383
254 HA ALA 14 HA ALA 14 -0.347 7.165 -18.767
255 HB1 ALA 14 3HB ALA 14 0.604 5.160 -17.703
256 HB2 ALA 14 1HB ALA 14 0.478 5.935 -16.107
257 HB3 ALA 14 2HB ALA 14 -0.995 5.545 -17.023
258 H LEU 15 H LEU 15 0.865 8.527 -15.695
259 HA LEU 15 HA LEU 15 -1.695 9.352 -14.734
260 HB2 LEU 15 1HB LEU 15 1.134 10.265 -14.172
261 HB3 LEU 15 2HB LEU 15 -0.257 11.011 -13.395
262 HG LEU 15 HG LEU 15 0.425 8.070 -13.169
263 HD11 LEU 15 1HD1 LEU 15 0.819 10.276 -11.137
264 HD12 LEU 15 2HD1 LEU 15 2.117 9.518 -12.088
265 HD13 LEU 15 3HD1 LEU 15 1.186 8.548 -10.929
266 HD21 LEU 15 3HD2 LEU 15 -1.930 8.488 -12.918
267 HD22 LEU 15 1HD2 LEU 15 -1.598 9.819 -11.791
268 HD23 LEU 15 2HD2 LEU 15 -1.213 8.139 -11.348
269 H TYR 16 H TYR 16 0.618 10.944 -16.928
270 HA TYR 16 HA TYR 16 -0.599 13.519 -16.931
271 HB2 TYR 16 1HB TYR 16 0.912 11.911 -18.989
272 HB3 TYR 16 2HB TYR 16 0.078 13.383 -19.484
273 HD1 TYR 16 HD2 TYR 16 0.616 15.579 -18.205
274 HD2 TYR 16 HD1 TYR 16 3.103 12.075 -18.047
275 HE1 TYR 16 HE2 TYR 16 2.549 16.968 -17.446
276 HE2 TYR 16 HE1 TYR 16 5.030 13.470 -17.321
277 HH TYR 16 HH TYR 16 5.767 15.568 -16.807
278 H LEU 17 H LEU 17 -1.433 10.538 -18.726
279 HA LEU 17 HA LEU 17 -3.554 11.812 -20.205
280 HB2 LEU 17 1HB LEU 17 -3.096 8.891 -19.543
281 HB3 LEU 17 2HB LEU 17 -4.239 9.514 -20.722
282 HG LEU 17 HG LEU 17 -1.226 9.864 -20.912
283 HD11 LEU 17 1HD1 LEU 17 -1.316 8.086 -22.608
284 HD12 LEU 17 2HD1 LEU 17 -3.056 7.867 -22.302
285 HD13 LEU 17 3HD1 LEU 17 -1.867 7.492 -21.028
286 HD21 LEU 17 3HD2 LEU 17 -2.445 11.579 -22.166
287 HD22 LEU 17 1HD2 LEU 17 -3.458 10.335 -22.935
288 HD23 LEU 17 2HD2 LEU 17 -1.715 10.416 -23.287
289 H VAL 18 H VAL 18 -3.530 9.810 -17.230
290 HA VAL 18 HA VAL 18 -6.430 9.660 -17.179
291 HB VAL 18 HB VAL 18 -4.356 9.023 -15.025
292 HG11 VAL 18 1HG1 VAL 18 -7.335 8.405 -15.170
293 HG12 VAL 18 2HG1 VAL 18 -6.205 7.650 -14.027
294 HG13 VAL 18 3HG1 VAL 18 -6.493 9.390 -13.952
295 HG21 VAL 18 3HG2 VAL 18 -4.089 7.622 -16.990
296 HG22 VAL 18 1HG2 VAL 18 -4.845 6.670 -15.707
297 HG23 VAL 18 2HG2 VAL 18 -5.833 7.290 -17.046
298 H CYS 19 H CYS 19 -3.999 11.620 -15.432
299 HA CYS 19 HA CYS 19 -6.097 12.928 -13.876
300 HB2 CYS 19 1HB CYS 19 -3.174 13.624 -14.268
301 HB3 CYS 19 2HB CYS 19 -4.263 14.349 -13.071
302 H GLY 20 H GLY 20 -4.517 13.358 -16.989
303 HA2 GLY 20 1HA GLY 20 -4.995 14.847 -18.666
304 HA3 GLY 20 2HA GLY 20 -6.504 15.209 -17.812
305 H GLU 21 H GLU 21 -6.572 17.353 -18.075
306 HA GLU 21 HA GLU 21 -4.336 19.114 -17.840
307 HB2 GLU 21 1HB GLU 21 -7.326 19.598 -17.675
308 HB3 GLU 21 2HB GLU 21 -6.115 20.882 -17.773
309 HG2 GLU 21 1HG GLU 21 -5.361 20.021 -19.960
310 HG3 GLU 21 2HG GLU 21 -6.572 18.732 -19.875
311 HE2 GLU 21 HE2 GLU 21 -6.283 20.592 -21.743
312 H ARG 22 H ARG 22 -6.029 17.515 -15.333
313 HA ARG 22 HA ARG 22 -5.966 19.633 -13.346
314 HB2 ARG 22 1HB ARG 22 -5.980 16.603 -13.073
315 HB3 ARG 22 2HB ARG 22 -6.159 17.727 -11.726
316 HG2 ARG 22 1HG ARG 22 -8.233 18.586 -12.631
317 HG3 ARG 22 2HG ARG 22 -8.067 17.580 -14.085
318 HD2 ARG 22 1HD ARG 22 -8.192 16.422 -11.280
319 HD3 ARG 22 2HD ARG 22 -9.631 16.699 -12.282
320 HE ARG 22 HE ARG 22 -7.757 15.216 -13.818
321 HH11 ARG 22 1HH1 ARG 22 -9.813 14.718 -10.978
322 HH12 ARG 22 2HH1 ARG 22 -10.019 13.015 -11.322
323 HH21 ARG 22 1HH2 ARG 22 -8.091 13.019 -14.171
324 HH22 ARG 22 2HH2 ARG 22 -9.077 12.098 -13.057
325 H GLY 23 H GLY 23 -3.611 17.403 -14.656
326 HA2 GLY 23 1HA GLY 23 -1.321 17.306 -14.224
327 HA3 GLY 23 2HA GLY 23 -1.506 18.584 -13.000
328 H PHE 24 H PHE 24 0.120 16.755 -12.129
329 HA PHE 24 HA PHE 24 -1.285 15.394 -9.981
330 HB2 PHE 24 1HB PHE 24 -0.563 13.138 -10.527
331 HB3 PHE 24 2HB PHE 24 -1.577 13.754 -11.830
332 HD1 PHE 24 HD1 PHE 24 -0.564 14.500 -13.978
333 HD2 PHE 24 HD2 PHE 24 1.708 12.521 -10.924
334 HE1 PHE 24 HE1 PHE 24 1.208 13.993 -15.626
335 HE2 PHE 24 HE2 PHE 24 3.472 11.973 -12.577
336 HZ PHE 24 HZ PHE 24 3.229 12.728 -14.949
337 H PHE 25 H PHE 25 0.581 14.034 -8.801
338 HA PHE 25 HA PHE 25 3.196 15.384 -9.252
339 HB2 PHE 25 1HB PHE 25 3.540 15.742 -6.928
340 HB3 PHE 25 2HB PHE 25 1.939 16.405 -7.277
341 HD1 PHE 25 HD1 PHE 25 -0.121 15.040 -6.618
342 HD2 PHE 25 HD2 PHE 25 3.859 13.992 -5.353
343 HE1 PHE 25 HE1 PHE 25 -1.075 13.581 -4.844
344 HE2 PHE 25 HE2 PHE 25 2.912 12.540 -3.566
345 HZ PHE 25 HZ PHE 25 0.439 12.332 -3.309
346 H TYR 26 H TYR 26 4.958 14.089 -8.182
347 HA TYR 26 HA TYR 26 4.239 11.239 -7.769
348 HB2 TYR 26 1HB TYR 26 5.006 11.489 -10.141
349 HB3 TYR 26 2HB TYR 26 6.517 12.203 -9.551
350 HD1 TYR 26 HD1 TYR 26 4.433 9.090 -9.509
351 HD2 TYR 26 HD2 TYR 26 8.312 10.799 -8.743
352 HE1 TYR 26 HE1 TYR 26 5.390 6.807 -9.205
353 HE2 TYR 26 HE2 TYR 26 9.255 8.510 -8.444
354 HH TYR 26 HH TYR 26 8.826 6.267 -8.413
355 H THR 27 H THR 27 5.628 10.288 -6.238
356 HA THR 27 HA THR 27 7.378 12.246 -4.831
357 HB THR 27 HB THR 27 5.665 11.940 -3.331
358 HG1 THR 27 HG1 THR 27 6.578 10.773 -1.701
359 HG21 THR 27 1HG2 THR 27 5.576 9.068 -4.272
360 HG22 THR 27 2HG2 THR 27 4.319 10.321 -4.429
361 HG23 THR 27 3HG2 THR 27 4.709 9.649 -2.832
362 HA PRO 28 HA PRO 28 10.231 8.898 -6.023
363 HB2 PRO 28 1HB PRO 28 12.403 10.448 -6.510
364 HB3 PRO 28 2HB PRO 28 11.035 10.381 -7.668
365 HG2 PRO 28 1HG PRO 28 11.656 12.439 -5.571
366 HG3 PRO 28 2HG PRO 28 11.184 12.675 -7.282
367 HD2 PRO 28 1HD PRO 28 9.428 12.817 -5.153
368 HD3 PRO 28 2HD PRO 28 8.920 12.337 -6.808
369 H LYS 29 H LYS 29 12.428 8.283 -4.987
370 HA LYS 29 HA LYS 29 12.984 9.641 -2.441
371 HB2 LYS 29 1HB LYS 29 12.909 7.627 -1.159
372 HB3 LYS 29 2HB LYS 29 11.329 7.794 -1.917
373 HG2 LYS 29 1HG LYS 29 11.854 6.043 -3.520
374 HG3 LYS 29 2HG LYS 29 13.552 6.042 -3.028
375 HD2 LYS 29 1HD LYS 29 12.758 5.383 -0.697
376 HD3 LYS 29 2HD LYS 29 11.183 5.050 -1.447
377 HE2 LYS 29 1HE LYS 29 12.463 2.983 -1.368
378 HE3 LYS 29 2HE LYS 29 12.349 3.506 -3.061
379 HZ1 LYS 29 3HZ LYS 29 14.610 2.829 -2.518
380 HZ2 LYS 29 1HZ LYS 29 14.702 3.914 -1.279
381 HZ3 LYS 29 2HZ LYS 29 14.600 4.451 -2.830
382 H THR 30 H THR 30 15.080 8.854 -1.602
383 HA THR 30 HA THR 30 16.748 7.548 -3.719
384 HB THR 30 HB THR 30 18.730 8.619 -2.609
385 HG1 THR 30 HG1 THR 30 18.037 10.473 -1.204
386 HG21 THR 30 1HG2 THR 30 17.537 9.744 -4.572
387 HG22 THR 30 2HG2 THR 30 18.313 10.905 -3.481
388 HG23 THR 30 3HG2 THR 30 16.557 10.660 -3.417
389 HXT THR 30 H02 THR 30 17.413 8.008 -0.535
Start of MODEL 17
1 H1 GLY 1 3H0 GLY 1 2.643 -1.704 -1.924
2 H2 GLY 1 2H0 GLY 1 2.048 -1.636 -0.386
3 H3 GLY 1 1H0 GLY 1 1.037 -1.964 -1.651
4 HA2 GLY 1 1HA GLY 1 0.774 0.304 -0.865
5 HA3 GLY 1 2HA GLY 1 2.486 0.570 -1.261
6 H ILE 2 H ILE 2 0.462 2.158 -2.450
7 HA ILE 2 HA ILE 2 -0.722 1.032 -4.714
8 HB ILE 2 HB ILE 2 -1.331 3.195 -3.604
9 HG12 ILE 2 1HG1 ILE 2 -0.983 3.309 -6.616
10 HG13 ILE 2 2HG1 ILE 2 -2.233 2.396 -5.773
11 HG21 ILE 2 1HG2 ILE 2 -0.229 5.283 -4.190
12 HG22 ILE 2 2HG2 ILE 2 1.007 4.186 -3.555
13 HG23 ILE 2 3HG2 ILE 2 0.877 4.459 -5.308
14 HD11 ILE 2 3HD1 ILE 2 -1.902 5.415 -5.850
15 HD12 ILE 2 1HD1 ILE 2 -3.195 4.433 -6.563
16 HD13 ILE 2 2HD1 ILE 2 -3.063 4.561 -4.797
17 H VAL 3 H VAL 3 2.529 2.516 -4.536
18 HA VAL 3 HA VAL 3 2.870 2.416 -7.383
19 HB VAL 3 HB VAL 3 4.196 3.947 -6.040
20 HG11 VAL 3 1HG1 VAL 3 4.425 2.548 -3.988
21 HG12 VAL 3 2HG1 VAL 3 5.609 1.528 -4.846
22 HG13 VAL 3 3HG1 VAL 3 5.967 3.236 -4.535
23 HG21 VAL 3 3HG2 VAL 3 5.984 1.847 -7.351
24 HG22 VAL 3 1HG2 VAL 3 5.094 3.126 -8.209
25 HG23 VAL 3 2HG2 VAL 3 6.382 3.559 -7.063
26 H GLU 4 H GLU 4 3.604 0.065 -4.762
27 HA GLU 4 HA GLU 4 4.987 -1.754 -6.519
28 HB2 GLU 4 1HB GLU 4 3.419 -2.243 -3.956
29 HB3 GLU 4 2HB GLU 4 4.265 -3.508 -4.844
30 HG2 GLU 4 1HG GLU 4 5.762 -2.924 -3.178
31 HG3 GLU 4 2HG GLU 4 6.366 -2.086 -4.613
32 HE2 GLU 4 HE2 GLU 4 7.374 -0.787 -3.322
33 H GLN 5 H GLN 5 1.577 -1.409 -5.485
34 HA GLN 5 HA GLN 5 0.578 -3.667 -6.872
35 HB2 GLN 5 1HB GLN 5 -0.479 -1.203 -5.643
36 HB3 GLN 5 2HB GLN 5 -1.466 -1.806 -6.977
37 HG2 GLN 5 1HG GLN 5 -2.246 -2.692 -4.821
38 HG3 GLN 5 2HG GLN 5 -1.685 -3.983 -5.892
39 HE21 GLN 5 2HE2 GLN 5 -0.534 -5.502 -4.939
40 HE22 GLN 5 1HE2 GLN 5 0.466 -5.297 -3.524
41 H CYS 6 H CYS 6 1.111 -0.299 -7.994
42 HA CYS 6 HA CYS 6 -0.010 -0.820 -10.606
43 HB2 CYS 6 1HB CYS 6 1.627 1.373 -9.355
44 HB3 CYS 6 2HB CYS 6 1.394 1.329 -11.112
45 H CYS 7 H CYS 7 3.284 -1.052 -9.285
46 HA CYS 7 HA CYS 7 4.505 -1.332 -11.889
47 HB2 CYS 7 1HB CYS 7 5.454 -1.961 -9.082
48 HB3 CYS 7 2HB CYS 7 6.454 -2.202 -10.520
49 H THR 8 H THR 8 3.615 -3.668 -9.290
50 HA THR 8 HA THR 8 4.545 -5.876 -10.986
51 HB THR 8 HB THR 8 4.962 -5.732 -8.473
52 HG1 THR 8 HG1 THR 8 3.802 -7.990 -9.748
53 HG21 THR 8 1HG2 THR 8 2.371 -5.274 -8.068
54 HG22 THR 8 2HG2 THR 8 3.326 -6.226 -6.917
55 HG23 THR 8 3HG2 THR 8 2.282 -7.047 -8.104
56 H SER 9 H SER 9 1.516 -4.304 -10.455
57 HA SER 9 HA SER 9 0.251 -6.494 -11.997
58 HB2 SER 9 1HB SER 9 -0.254 -6.760 -9.487
59 HB3 SER 9 2HB SER 9 -1.145 -5.227 -9.592
60 HG SER 9 HG SER 9 -2.398 -7.220 -9.912
61 H ILE 10 H ILE 10 -2.262 -5.497 -12.311
62 HA ILE 10 HA ILE 10 -1.487 -3.527 -14.295
63 HB ILE 10 HB ILE 10 -4.218 -4.666 -13.597
64 HG12 ILE 10 1HG1 ILE 10 -2.535 -6.348 -14.350
65 HG13 ILE 10 2HG1 ILE 10 -3.918 -6.188 -15.429
66 HG21 ILE 10 1HG2 ILE 10 -4.538 -2.549 -14.740
67 HG22 ILE 10 2HG2 ILE 10 -3.343 -2.977 -15.980
68 HG23 ILE 10 3HG2 ILE 10 -4.888 -3.857 -15.874
69 HD11 ILE 10 3HD1 ILE 10 -1.209 -4.911 -15.931
70 HD12 ILE 10 1HD1 ILE 10 -1.757 -6.450 -16.621
71 HD13 ILE 10 2HD1 ILE 10 -2.588 -4.947 -17.038
72 H CYS 11 H CYS 11 -1.353 -1.454 -14.071
73 HA CYS 11 HA CYS 11 -2.677 -0.126 -11.788
74 HB2 CYS 11 1HB CYS 11 -0.237 0.221 -12.526
75 HB3 CYS 11 2HB CYS 11 -0.890 1.098 -13.889
76 H SER 12 H SER 12 -4.792 -0.639 -12.764
77 HA SER 12 HA SER 12 -5.629 0.434 -15.275
78 HB2 SER 12 1HB SER 12 -7.288 -0.048 -12.775
79 HB3 SER 12 2HB SER 12 -7.884 0.028 -14.448
80 HG SER 12 HG SER 12 -7.603 -2.124 -13.850
81 H LEU 13 H LEU 13 -7.261 2.225 -15.519
82 HA LEU 13 HA LEU 13 -6.240 4.679 -14.674
83 HB2 LEU 13 1HB LEU 13 -8.220 5.682 -15.536
84 HB3 LEU 13 2HB LEU 13 -7.781 4.326 -16.560
85 HG LEU 13 HG LEU 13 -9.597 3.125 -14.898
86 HD11 LEU 13 1HD1 LEU 13 -10.173 5.233 -13.763
87 HD12 LEU 13 2HD1 LEU 13 -11.539 4.652 -14.731
88 HD13 LEU 13 3HD1 LEU 13 -10.538 5.995 -15.329
89 HD21 LEU 13 3HD2 LEU 13 -9.531 2.972 -17.333
90 HD22 LEU 13 1HD2 LEU 13 -10.159 4.635 -17.474
91 HD23 LEU 13 2HD2 LEU 13 -11.172 3.349 -16.774
92 H TYR 14 H TYR 14 -8.527 2.613 -12.958
93 HA TYR 14 HA TYR 14 -9.482 4.555 -11.113
94 HB2 TYR 14 1HB TYR 14 -9.048 1.621 -10.524
95 HB3 TYR 14 2HB TYR 14 -10.306 2.686 -9.892
96 HD1 TYR 14 HD2 TYR 14 -12.002 3.654 -11.695
97 HD2 TYR 14 HD1 TYR 14 -9.458 0.249 -12.376
98 HE1 TYR 14 HE2 TYR 14 -13.463 2.930 -13.587
99 HE2 TYR 14 HE1 TYR 14 -10.913 -0.451 -14.282
100 HH TYR 14 HH TYR 14 -13.841 1.351 -15.211
101 H GLN 15 H GLN 15 -6.634 2.411 -11.068
102 HA GLN 15 HA GLN 15 -5.813 3.107 -8.373
103 HB2 GLN 15 1HB GLN 15 -4.282 1.994 -10.760
104 HB3 GLN 15 2HB GLN 15 -3.591 2.192 -9.151
105 HG2 GLN 15 1HG GLN 15 -6.017 0.460 -9.737
106 HG3 GLN 15 2HG GLN 15 -4.352 -0.138 -9.713
107 HE21 GLN 15 2HE2 GLN 15 -7.044 -0.064 -7.908
108 HE22 GLN 15 1HE2 GLN 15 -6.345 -0.042 -6.310
109 H LEU 16 H LEU 16 -5.086 4.229 -11.668
110 HA LEU 16 HA LEU 16 -3.034 6.062 -10.966
111 HB2 LEU 16 1HB LEU 16 -4.943 5.933 -13.300
112 HB3 LEU 16 2HB LEU 16 -3.655 7.131 -13.190
113 HG LEU 16 HG LEU 16 -3.103 4.155 -13.011
114 HD11 LEU 16 1HD1 LEU 16 -2.502 4.164 -15.362
115 HD12 LEU 16 2HD1 LEU 16 -3.016 5.863 -15.515
116 HD13 LEU 16 3HD1 LEU 16 -4.207 4.588 -15.159
117 HD21 LEU 16 3HD2 LEU 16 -0.841 4.832 -13.713
118 HD22 LEU 16 1HD2 LEU 16 -1.310 5.655 -12.216
119 HD23 LEU 16 2HD2 LEU 16 -1.353 6.532 -13.762
120 H GLU 17 H GLU 17 -6.586 6.491 -11.061
121 HA GLU 17 HA GLU 17 -6.623 9.312 -10.778
122 HB2 GLU 17 1HB GLU 17 -8.496 7.119 -9.864
123 HB3 GLU 17 2HB GLU 17 -8.822 8.819 -9.513
124 HG2 GLU 17 1HG GLU 17 -8.778 9.340 -11.909
125 HG3 GLU 17 2HG GLU 17 -8.483 7.642 -12.280
126 HE2 GLU 17 HE2 GLU 17 -11.687 6.696 -11.497
127 H ASN 18 H ASN 18 -5.938 6.841 -8.317
128 HA ASN 18 HA ASN 18 -6.404 8.563 -6.057
129 HB2 ASN 18 1HB ASN 18 -4.693 6.094 -6.395
130 HB3 ASN 18 2HB ASN 18 -4.912 6.924 -4.851
131 HD21 ASN 18 2HD2 ASN 18 -6.178 4.664 -7.041
132 HD22 ASN 18 1HD2 ASN 18 -7.691 4.380 -6.215
133 H TYR 19 H TYR 19 -3.709 8.280 -8.289
134 HA TYR 19 HA TYR 19 -1.732 9.509 -6.529
135 HB2 TYR 19 1HB TYR 19 -1.918 9.135 -9.514
136 HB3 TYR 19 2HB TYR 19 -0.537 9.881 -8.740
137 HD1 TYR 19 HD1 TYR 19 -2.377 6.692 -9.169
138 HD2 TYR 19 HD2 TYR 19 1.135 8.578 -7.583
139 HE1 TYR 19 HE1 TYR 19 -1.308 4.462 -8.901
140 HE2 TYR 19 HE2 TYR 19 2.199 6.343 -7.307
141 HH TYR 19 HH TYR 19 0.541 3.316 -8.236
142 H CYS 20 H CYS 20 -4.378 10.647 -8.505
143 HA CYS 20 HA CYS 20 -3.277 13.295 -9.024
144 HB2 CYS 20 1HB CYS 20 -6.030 12.058 -9.293
145 HB3 CYS 20 2HB CYS 20 -5.733 13.769 -9.590
146 H ASN 21 H ASN 21 -2.778 14.425 -7.269
147 HA ASN 21 HA ASN 21 -4.893 14.864 -5.196
148 HB2 ASN 21 1HB ASN 21 -2.927 13.825 -4.201
149 HB3 ASN 21 2HB ASN 21 -1.854 14.990 -4.979
150 HD21 ASN 21 2HD2 ASN 21 -4.388 14.582 -2.548
151 HD22 ASN 21 1HD2 ASN 21 -4.003 16.039 -1.670
152 HXT ASN 21 H02 ASN 21 -3.254 18.051 -6.692
153 H1 PHE 1 3H0 PHE 1 -9.553 3.347 -21.952
154 H2 PHE 1 2H0 PHE 1 -9.006 2.421 -23.204
155 H3 PHE 1 1H0 PHE 1 -9.841 1.722 -21.966
156 HA PHE 1 HA PHE 1 -7.177 2.972 -21.767
157 HB2 PHE 1 1HB PHE 1 -8.754 3.183 -19.766
158 HB3 PHE 1 2HB PHE 1 -8.718 1.419 -19.653
159 HD1 PHE 1 HD1 PHE 1 -6.708 4.529 -19.328
160 HD2 PHE 1 HD2 PHE 1 -6.781 0.259 -18.740
161 HE1 PHE 1 HE1 PHE 1 -4.628 4.684 -17.968
162 HE2 PHE 1 HE2 PHE 1 -4.686 0.408 -17.399
163 HZ PHE 1 HZ PHE 1 -3.605 2.621 -17.012
164 H VAL 2 H VAL 2 -5.415 1.459 -21.663
165 HA VAL 2 HA VAL 2 -6.190 -1.323 -22.465
166 HB VAL 2 HB VAL 2 -3.626 0.222 -23.113
167 HG11 VAL 2 1HG1 VAL 2 -3.100 -1.736 -24.563
168 HG12 VAL 2 2HG1 VAL 2 -3.196 -2.192 -22.851
169 HG13 VAL 2 3HG1 VAL 2 -4.545 -2.571 -23.952
170 HG21 VAL 2 3HG2 VAL 2 -4.433 0.079 -25.482
171 HG22 VAL 2 1HG2 VAL 2 -5.976 -0.580 -24.893
172 HG23 VAL 2 2HG2 VAL 2 -5.482 1.074 -24.459
173 H ASN 3 H ASN 3 -5.714 -2.824 -20.955
174 HA ASN 3 HA ASN 3 -4.500 -2.064 -18.469
175 HB2 ASN 3 1HB ASN 3 -5.033 -4.789 -19.701
176 HB3 ASN 3 2HB ASN 3 -4.349 -4.552 -18.089
177 HD21 ASN 3 2HD2 ASN 3 -6.875 -5.827 -18.836
178 HD22 ASN 3 1HD2 ASN 3 -8.129 -4.917 -18.029
179 H GLN 4 H GLN 4 -2.459 -1.975 -17.862
180 HA GLN 4 HA GLN 4 -0.522 -3.871 -18.858
181 HB2 GLN 4 1HB GLN 4 1.067 -2.184 -19.701
182 HB3 GLN 4 2HB GLN 4 -0.411 -2.183 -20.662
183 HG2 GLN 4 1HG GLN 4 -1.181 -0.226 -19.180
184 HG3 GLN 4 2HG GLN 4 0.505 -0.138 -18.656
185 HE21 GLN 4 2HE2 GLN 4 -1.743 0.276 -21.289
186 HE22 GLN 4 1HE2 GLN 4 -0.646 1.153 -22.339
187 H HIS 5 H HIS 5 1.292 -3.784 -17.484
188 HA HIS 5 HA HIS 5 0.874 -2.609 -14.819
189 HB2 HIS 5 1HB HIS 5 3.411 -3.820 -16.006
190 HB3 HIS 5 2HB HIS 5 3.059 -3.550 -14.298
191 HD1 HIS 5 HD1 HIS 5 0.419 -4.822 -13.827
192 HD2 HIS 5 HD2 HIS 5 3.217 -6.518 -16.355
193 HE1 HIS 5 HE1 HIS 5 -0.140 -7.319 -13.995
194 HE2 HIS 5 HE2 HIS 5 1.587 -8.321 -15.537
195 H LEU 6 H LEU 6 1.884 -0.671 -14.049
196 HA LEU 6 HA LEU 6 3.558 0.805 -16.047
197 HB2 LEU 6 1HB LEU 6 1.298 1.755 -14.279
198 HB3 LEU 6 2HB LEU 6 2.556 2.827 -14.804
199 HG LEU 6 HG LEU 6 0.904 3.368 -16.179
200 HD11 LEU 6 1HD1 LEU 6 2.873 2.880 -17.533
201 HD12 LEU 6 2HD1 LEU 6 1.384 2.646 -18.454
202 HD13 LEU 6 3HD1 LEU 6 2.271 1.235 -17.836
203 HD21 LEU 6 3HD2 LEU 6 -0.560 1.781 -17.439
204 HD22 LEU 6 1HD2 LEU 6 -0.800 1.866 -15.695
205 HD23 LEU 6 2HD2 LEU 6 0.096 0.502 -16.398
206 H CYS 7 H CYS 7 5.522 1.286 -15.276
207 HA CYS 7 HA CYS 7 5.801 1.930 -12.398
208 HB2 CYS 7 1HB CYS 7 6.283 -0.588 -13.017
209 HB3 CYS 7 2HB CYS 7 7.776 0.058 -13.705
210 H GLY 8 H GLY 8 7.875 3.047 -11.962
211 HA2 GLY 8 1HA GLY 8 9.515 4.583 -12.499
212 HA3 GLY 8 2HA GLY 8 9.729 3.679 -14.006
213 H SER 9 H SER 9 10.028 5.418 -15.370
214 HA SER 9 HA SER 9 8.467 7.769 -15.416
215 HB2 SER 9 1HB SER 9 9.453 6.713 -18.007
216 HB3 SER 9 2HB SER 9 9.778 8.273 -17.205
217 HG SER 9 HG SER 9 11.661 7.096 -17.124
218 H HIS 10 H HIS 10 7.757 4.548 -16.708
219 HA HIS 10 HA HIS 10 5.736 5.419 -18.562
220 HB2 HIS 10 1HB HIS 10 6.672 2.863 -17.423
221 HB3 HIS 10 2HB HIS 10 4.958 2.895 -17.831
222 HD1 HIS 10 HD1 HIS 10 4.325 3.409 -20.391
223 HD2 HIS 10 HD2 HIS 10 8.390 2.735 -19.618
224 HE1 HIS 10 HE1 HIS 10 5.444 2.981 -22.637
225 HE2 HIS 10 HE2 HIS 10 7.892 2.576 -22.153
226 H LEU 11 H LEU 11 5.717 4.868 -15.067
227 HA LEU 11 HA LEU 11 2.836 4.827 -14.802
228 HB2 LEU 11 1HB LEU 11 4.448 4.046 -13.057
229 HB3 LEU 11 2HB LEU 11 4.987 5.705 -12.844
230 HG LEU 11 HG LEU 11 2.746 6.332 -12.004
231 HD11 LEU 11 1HD1 LEU 11 2.187 3.345 -12.190
232 HD12 LEU 11 2HD1 LEU 11 1.369 4.634 -13.107
233 HD13 LEU 11 3HD1 LEU 11 1.171 4.541 -11.350
234 HD21 LEU 11 3HD2 LEU 11 4.580 5.664 -10.485
235 HD22 LEU 11 1HD2 LEU 11 4.042 3.969 -10.582
236 HD23 LEU 11 2HD2 LEU 11 2.994 5.199 -9.838
237 H VAL 12 H VAL 12 5.341 7.343 -14.735
238 HA VAL 12 HA VAL 12 3.617 9.529 -14.109
239 HB VAL 12 HB VAL 12 6.237 9.496 -15.687
240 HG11 VAL 12 1HG1 VAL 12 4.903 11.765 -14.180
241 HG12 VAL 12 2HG1 VAL 12 6.477 11.828 -15.002
242 HG13 VAL 12 3HG1 VAL 12 4.993 11.606 -15.948
243 HG21 VAL 12 3HG2 VAL 12 7.269 10.078 -13.476
244 HG22 VAL 12 1HG2 VAL 12 5.696 9.789 -12.700
245 HG23 VAL 12 2HG2 VAL 12 6.559 8.454 -13.503
246 H GLU 13 H GLU 13 4.626 8.055 -17.207
247 HA GLU 13 HA GLU 13 3.411 9.988 -18.923
248 HB2 GLU 13 1HB GLU 13 4.022 7.043 -19.238
249 HB3 GLU 13 2HB GLU 13 3.331 8.009 -20.544
250 HG2 GLU 13 1HG GLU 13 5.279 9.468 -20.555
251 HG3 GLU 13 2HG GLU 13 5.973 8.599 -19.182
252 HE2 GLU 13 HE2 GLU 13 6.436 9.034 -22.050
253 H ALA 14 H ALA 14 2.099 7.167 -17.215
254 HA ALA 14 HA ALA 14 -0.403 7.194 -18.675
255 HB1 ALA 14 3HB ALA 14 -1.104 5.563 -17.006
256 HB2 ALA 14 1HB ALA 14 0.538 5.184 -17.571
257 HB3 ALA 14 2HB ALA 14 0.303 5.958 -15.987
258 H LEU 15 H LEU 15 0.843 8.643 -15.675
259 HA LEU 15 HA LEU 15 -1.702 9.508 -14.694
260 HB2 LEU 15 1HB LEU 15 1.123 10.475 -14.224
261 HB3 LEU 15 2HB LEU 15 -0.270 11.212 -13.439
262 HG LEU 15 HG LEU 15 0.488 8.290 -13.160
263 HD11 LEU 15 1HD1 LEU 15 0.903 10.590 -11.223
264 HD12 LEU 15 2HD1 LEU 15 2.181 9.764 -12.145
265 HD13 LEU 15 3HD1 LEU 15 1.259 8.873 -10.916
266 HD21 LEU 15 3HD2 LEU 15 -1.907 8.740 -12.843
267 HD22 LEU 15 1HD2 LEU 15 -1.509 9.996 -11.653
268 HD23 LEU 15 2HD2 LEU 15 -1.116 8.290 -11.337
269 H TYR 16 H TYR 16 0.506 10.935 -17.086
270 HA TYR 16 HA TYR 16 -0.723 13.522 -17.157
271 HB2 TYR 16 1HB TYR 16 0.716 11.849 -19.230
272 HB3 TYR 16 2HB TYR 16 -0.053 13.375 -19.666
273 HD1 TYR 16 HD1 TYR 16 0.634 15.516 -18.411
274 HD2 TYR 16 HD2 TYR 16 2.912 11.874 -18.264
275 HE1 TYR 16 HE1 TYR 16 2.638 16.793 -17.648
276 HE2 TYR 16 HE2 TYR 16 4.920 13.164 -17.535
277 HH TYR 16 HH TYR 16 4.840 16.686 -17.025
278 H LEU 17 H LEU 17 -1.651 10.412 -18.629
279 HA LEU 17 HA LEU 17 -3.746 11.580 -20.240
280 HB2 LEU 17 1HB LEU 17 -3.440 8.749 -19.199
281 HB3 LEU 17 2HB LEU 17 -4.540 9.279 -20.460
282 HG LEU 17 HG LEU 17 -1.510 9.391 -20.663
283 HD11 LEU 17 1HD1 LEU 17 -1.722 7.402 -22.095
284 HD12 LEU 17 2HD1 LEU 17 -3.477 7.361 -21.799
285 HD13 LEU 17 3HD1 LEU 17 -2.337 7.075 -20.461
286 HD21 LEU 17 3HD2 LEU 17 -3.696 9.742 -22.759
287 HD22 LEU 17 1HD2 LEU 17 -1.950 9.653 -23.095
288 HD23 LEU 17 2HD2 LEU 17 -2.600 11.004 -22.148
289 H VAL 18 H VAL 18 -3.676 10.005 -17.036
290 HA VAL 18 HA VAL 18 -6.581 10.001 -16.875
291 HB VAL 18 HB VAL 18 -4.482 9.386 -14.742
292 HG11 VAL 18 1HG1 VAL 18 -6.339 8.094 -13.669
293 HG12 VAL 18 2HG1 VAL 18 -6.652 9.839 -13.702
294 HG13 VAL 18 3HG1 VAL 18 -7.471 8.769 -14.866
295 HG21 VAL 18 3HG2 VAL 18 -5.139 6.990 -15.374
296 HG22 VAL 18 1HG2 VAL 18 -5.918 7.676 -16.812
297 HG23 VAL 18 2HG2 VAL 18 -4.166 7.866 -16.563
298 H CYS 19 H CYS 19 -3.967 11.975 -15.427
299 HA CYS 19 HA CYS 19 -5.957 13.552 -13.949
300 HB2 CYS 19 1HB CYS 19 -3.116 13.221 -13.874
301 HB3 CYS 19 2HB CYS 19 -3.465 14.927 -14.189
302 H GLY 20 H GLY 20 -4.515 13.491 -17.139
303 HA2 GLY 20 1HA GLY 20 -4.984 14.823 -18.956
304 HA3 GLY 20 2HA GLY 20 -6.283 15.577 -18.015
305 H GLU 21 H GLU 21 -5.647 17.544 -19.084
306 HA GLU 21 HA GLU 21 -3.083 18.732 -18.747
307 HB2 GLU 21 1HB GLU 21 -5.255 19.251 -20.257
308 HB3 GLU 21 2HB GLU 21 -5.483 20.480 -19.009
309 HG2 GLU 21 1HG GLU 21 -4.254 21.486 -20.803
310 HG3 GLU 21 2HG GLU 21 -3.123 21.259 -19.463
311 HE2 GLU 21 HE2 GLU 21 -1.014 19.686 -21.505
312 H ARG 22 H ARG 22 -5.376 18.166 -16.334
313 HA ARG 22 HA ARG 22 -5.175 20.608 -14.802
314 HB2 ARG 22 1HB ARG 22 -5.681 17.742 -13.918
315 HB3 ARG 22 2HB ARG 22 -5.892 19.167 -12.900
316 HG2 ARG 22 1HG ARG 22 -7.677 19.995 -14.337
317 HG3 ARG 22 2HG ARG 22 -7.446 18.643 -15.462
318 HD2 ARG 22 1HD ARG 22 -8.195 18.302 -12.535
319 HD3 ARG 22 2HD ARG 22 -9.372 18.363 -13.864
320 HE ARG 22 HE ARG 22 -7.411 16.403 -14.501
321 HH11 ARG 22 1HH1 ARG 22 -10.021 16.834 -12.150
322 HH12 ARG 22 2HH1 ARG 22 -10.301 15.119 -12.017
323 HH21 ARG 22 1HH2 ARG 22 -7.852 14.242 -14.298
324 HH22 ARG 22 2HH2 ARG 22 -9.085 13.679 -13.206
325 H GLY 23 H GLY 23 -3.083 17.855 -15.305
326 HA2 GLY 23 1HA GLY 23 -0.824 17.724 -14.731
327 HA3 GLY 23 2HA GLY 23 -0.992 19.178 -13.734
328 H PHE 24 H PHE 24 0.506 17.255 -12.704
329 HA PHE 24 HA PHE 24 -0.890 16.406 -10.300
330 HB2 PHE 24 1HB PHE 24 -0.463 14.015 -10.565
331 HB3 PHE 24 2HB PHE 24 -1.518 14.561 -11.869
332 HD1 PHE 24 HD1 PHE 24 -0.627 14.862 -14.172
333 HD2 PHE 24 HD2 PHE 24 1.734 13.151 -11.020
334 HE1 PHE 24 HE1 PHE 24 0.977 13.998 -15.848
335 HE2 PHE 24 HE2 PHE 24 3.344 12.269 -12.694
336 HZ PHE 24 HZ PHE 24 2.966 12.706 -15.129
337 H PHE 25 H PHE 25 0.941 15.047 -9.052
338 HA PHE 25 HA PHE 25 3.643 15.784 -10.024
339 HB2 PHE 25 1HB PHE 25 4.333 16.446 -7.756
340 HB3 PHE 25 2HB PHE 25 3.076 17.522 -8.379
341 HD1 PHE 25 HD2 PHE 25 3.840 14.855 -5.928
342 HD2 PHE 25 HD1 PHE 25 0.867 17.615 -7.363
343 HE1 PHE 25 HE2 PHE 25 2.480 14.446 -3.880
344 HE2 PHE 25 HE1 PHE 25 -0.498 17.218 -5.317
345 HZ PHE 25 HZ PHE 25 0.305 15.632 -3.572
346 H TYR 26 H TYR 26 5.287 14.405 -8.866
347 HA TYR 26 HA TYR 26 4.141 11.916 -7.713
348 HB2 TYR 26 1HB TYR 26 4.425 11.522 -10.158
349 HB3 TYR 26 2HB TYR 26 6.127 11.994 -10.021
350 HD1 TYR 26 HD1 TYR 26 3.597 9.462 -8.955
351 HD2 TYR 26 HD2 TYR 26 7.779 10.451 -9.160
352 HE1 TYR 26 HE1 TYR 26 4.183 7.134 -8.293
353 HE2 TYR 26 HE2 TYR 26 8.359 8.111 -8.512
354 HH TYR 26 HH TYR 26 7.571 6.037 -7.976
355 H THR 27 H THR 27 5.531 11.042 -6.170
356 HA THR 27 HA THR 27 7.992 12.655 -5.662
357 HB THR 27 HB THR 27 7.541 12.170 -3.216
358 HG1 THR 27 HG1 THR 27 4.838 11.918 -3.836
359 HG21 THR 27 1HG2 THR 27 5.454 13.797 -4.723
360 HG22 THR 27 2HG2 THR 27 7.080 14.365 -4.277
361 HG23 THR 27 3HG2 THR 27 5.896 13.979 -3.009
362 HA PRO 28 HA PRO 28 9.520 8.371 -5.821
363 HB2 PRO 28 1HB PRO 28 12.065 8.950 -6.619
364 HB3 PRO 28 2HB PRO 28 10.704 8.885 -7.786
365 HG2 PRO 28 1HG PRO 28 11.929 11.273 -6.434
366 HG3 PRO 28 2HG PRO 28 11.572 11.022 -8.170
367 HD2 PRO 28 1HD PRO 28 9.909 12.406 -6.532
368 HD3 PRO 28 2HD PRO 28 9.280 11.379 -7.863
369 H LYS 29 H LYS 29 11.020 7.362 -4.302
370 HA LYS 29 HA LYS 29 12.093 9.207 -2.214
371 HB2 LYS 29 1HB LYS 29 10.338 6.764 -1.745
372 HB3 LYS 29 2HB LYS 29 11.180 7.674 -0.477
373 HG2 LYS 29 1HG LYS 29 9.892 9.694 -1.056
374 HG3 LYS 29 2HG LYS 29 9.082 8.809 -2.353
375 HD2 LYS 29 1HD LYS 29 8.089 7.274 -0.703
376 HD3 LYS 29 2HD LYS 29 8.877 8.189 0.602
377 HE2 LYS 29 1HE LYS 29 6.567 8.957 0.368
378 HE3 LYS 29 2HE LYS 29 7.675 10.245 -0.142
379 HZ1 LYS 29 3HZ LYS 29 5.900 10.061 -1.728
380 HZ2 LYS 29 1HZ LYS 29 6.146 8.444 -1.939
381 HZ3 LYS 29 2HZ LYS 29 7.272 9.526 -2.467
382 H THR 30 H THR 30 14.173 8.872 -2.223
383 HA THR 30 HA THR 30 15.271 6.143 -2.714
384 HB THR 30 HB THR 30 17.413 7.516 -3.116
385 HG1 THR 30 HG1 THR 30 16.700 9.409 -2.030
386 HG21 THR 30 1HG2 THR 30 16.727 8.267 -5.373
387 HG22 THR 30 2HG2 THR 30 15.018 8.229 -4.924
388 HG23 THR 30 3HG2 THR 30 15.944 6.715 -5.036
389 HXT THR 30 H02 THR 30 16.765 5.945 0.247
Start of MODEL 18
1 H1 GLY 1 3H0 GLY 1 0.844 -1.724 -1.714
2 H2 GLY 1 2H0 GLY 1 2.408 -1.335 -2.064
3 H3 GLY 1 1H0 GLY 1 1.868 -1.251 -0.507
4 HA2 GLY 1 1HA GLY 1 0.382 0.531 -1.039
5 HA3 GLY 1 2HA GLY 1 2.060 0.940 -1.452
6 H ILE 2 H ILE 2 0.262 2.448 -2.706
7 HA ILE 2 HA ILE 2 -1.019 1.339 -4.956
8 HB ILE 2 HB ILE 2 -1.546 3.514 -3.828
9 HG12 ILE 2 1HG1 ILE 2 -1.107 3.694 -6.822
10 HG13 ILE 2 2HG1 ILE 2 -2.456 2.881 -6.028
11 HG21 ILE 2 1HG2 ILE 2 0.829 4.377 -3.661
12 HG22 ILE 2 2HG2 ILE 2 0.788 4.705 -5.409
13 HG23 ILE 2 3HG2 ILE 2 -0.314 5.558 -4.312
14 HD11 ILE 2 3HD1 ILE 2 -3.248 5.007 -6.745
15 HD12 ILE 2 1HD1 ILE 2 -3.060 5.129 -4.986
16 HD13 ILE 2 2HD1 ILE 2 -1.850 5.866 -6.077
17 H VAL 3 H VAL 3 2.295 2.591 -4.663
18 HA VAL 3 HA VAL 3 2.755 2.721 -7.488
19 HB VAL 3 HB VAL 3 4.790 2.301 -5.246
20 HG11 VAL 3 1HG1 VAL 3 6.378 3.358 -6.859
21 HG12 VAL 3 2HG1 VAL 3 5.732 1.824 -7.476
22 HG13 VAL 3 3HG1 VAL 3 5.098 3.365 -8.095
23 HG21 VAL 3 3HG2 VAL 3 3.660 4.860 -6.472
24 HG22 VAL 3 1HG2 VAL 3 3.473 4.312 -4.788
25 HG23 VAL 3 2HG2 VAL 3 5.071 4.797 -5.390
26 H GLU 4 H GLU 4 3.271 0.184 -5.021
27 HA GLU 4 HA GLU 4 4.587 -1.624 -6.810
28 HB2 GLU 4 1HB GLU 4 3.000 -2.128 -4.267
29 HB3 GLU 4 2HB GLU 4 3.901 -3.371 -5.138
30 HG2 GLU 4 1HG GLU 4 5.341 -2.684 -3.387
31 HG3 GLU 4 2HG GLU 4 5.982 -1.920 -4.849
32 HE2 GLU 4 HE2 GLU 4 6.907 -0.448 -3.803
33 H GLN 5 H GLN 5 1.138 -1.096 -6.000
34 HA GLN 5 HA GLN 5 0.104 -3.373 -7.360
35 HB2 GLN 5 1HB GLN 5 -1.043 -0.615 -6.834
36 HB3 GLN 5 2HB GLN 5 -1.965 -1.901 -7.620
37 HG2 GLN 5 1HG GLN 5 -1.751 -3.328 -5.672
38 HG3 GLN 5 2HG GLN 5 -0.719 -2.138 -4.868
39 HE21 GLN 5 2HE2 GLN 5 -3.882 -3.229 -5.301
40 HE22 GLN 5 1HE2 GLN 5 -4.703 -1.879 -4.556
41 H CYS 6 H CYS 6 1.066 -0.155 -8.594
42 HA CYS 6 HA CYS 6 0.118 -0.827 -11.282
43 HB2 CYS 6 1HB CYS 6 1.832 1.442 -10.215
44 HB3 CYS 6 2HB CYS 6 1.307 1.288 -11.891
45 H CYS 7 H CYS 7 3.234 -0.900 -9.527
46 HA CYS 7 HA CYS 7 4.767 -1.185 -11.952
47 HB2 CYS 7 1HB CYS 7 5.411 -1.596 -9.028
48 HB3 CYS 7 2HB CYS 7 6.593 -1.876 -10.313
49 H THR 8 H THR 8 3.877 -3.551 -9.371
50 HA THR 8 HA THR 8 5.210 -5.652 -10.949
51 HB THR 8 HB THR 8 5.309 -5.343 -8.359
52 HG1 THR 8 HG1 THR 8 5.361 -7.712 -8.195
53 HG21 THR 8 1HG2 THR 8 2.837 -7.105 -8.479
54 HG22 THR 8 2HG2 THR 8 2.757 -5.368 -8.110
55 HG23 THR 8 3HG2 THR 8 3.662 -6.460 -7.044
56 H SER 9 H SER 9 2.015 -4.414 -10.511
57 HA SER 9 HA SER 9 0.979 -6.678 -12.123
58 HB2 SER 9 1HB SER 9 -1.069 -6.708 -10.596
59 HB3 SER 9 2HB SER 9 0.418 -7.297 -9.832
60 HG SER 9 HG SER 9 -0.403 -4.585 -9.601
61 H ILE 10 H ILE 10 -1.705 -5.836 -12.234
62 HA ILE 10 HA ILE 10 -1.255 -3.379 -13.859
63 HB ILE 10 HB ILE 10 -3.718 -5.188 -13.803
64 HG12 ILE 10 1HG1 ILE 10 -1.726 -6.513 -14.483
65 HG13 ILE 10 2HG1 ILE 10 -2.949 -6.360 -15.735
66 HG21 ILE 10 1HG2 ILE 10 -2.740 -3.089 -15.803
67 HG22 ILE 10 2HG2 ILE 10 -4.159 -4.142 -16.040
68 HG23 ILE 10 3HG2 ILE 10 -4.151 -2.959 -14.726
69 HD11 ILE 10 3HD1 ILE 10 -1.632 -4.816 -16.983
70 HD12 ILE 10 1HD1 ILE 10 -0.471 -4.628 -15.656
71 HD13 ILE 10 2HD1 ILE 10 -0.581 -6.169 -16.533
72 H CYS 11 H CYS 11 -2.211 -1.459 -13.253
73 HA CYS 11 HA CYS 11 -4.235 -1.602 -11.063
74 HB2 CYS 11 1HB CYS 11 -3.455 0.497 -10.205
75 HB3 CYS 11 2HB CYS 11 -2.091 -0.616 -10.284
76 H SER 12 H SER 12 -6.020 -0.255 -11.331
77 HA SER 12 HA SER 12 -6.618 0.241 -14.167
78 HB2 SER 12 1HB SER 12 -8.219 -0.907 -12.662
79 HB3 SER 12 2HB SER 12 -8.348 0.571 -11.685
80 HG SER 12 HG SER 12 -9.995 0.217 -13.373
81 H LEU 13 H LEU 13 -7.822 2.259 -14.770
82 HA LEU 13 HA LEU 13 -6.247 4.555 -14.300
83 HB2 LEU 13 1HB LEU 13 -7.882 5.769 -15.539
84 HB3 LEU 13 2HB LEU 13 -7.677 4.185 -16.267
85 HG LEU 13 HG LEU 13 -9.840 3.680 -14.699
86 HD11 LEU 13 1HD1 LEU 13 -10.044 5.992 -13.877
87 HD12 LEU 13 2HD1 LEU 13 -11.407 5.595 -14.934
88 HD13 LEU 13 3HD1 LEU 13 -10.077 6.604 -15.549
89 HD21 LEU 13 3HD2 LEU 13 -9.851 4.921 -17.477
90 HD22 LEU 13 1HD2 LEU 13 -11.168 3.966 -16.752
91 HD23 LEU 13 2HD2 LEU 13 -9.603 3.199 -17.092
92 H TYR 14 H TYR 14 -9.006 3.323 -12.485
93 HA TYR 14 HA TYR 14 -9.655 5.751 -11.125
94 HB2 TYR 14 1HB TYR 14 -9.838 2.942 -10.019
95 HB3 TYR 14 2HB TYR 14 -10.825 4.336 -9.575
96 HD1 TYR 14 HD1 TYR 14 -12.044 5.447 -11.800
97 HD2 TYR 14 HD2 TYR 14 -10.828 1.339 -11.358
98 HE1 TYR 14 HE1 TYR 14 -13.673 4.770 -13.568
99 HE2 TYR 14 HE2 TYR 14 -12.472 0.672 -13.126
100 HH TYR 14 HH TYR 14 -14.119 1.377 -14.559
101 H GLN 15 H GLN 15 -7.261 3.209 -10.545
102 HA GLN 15 HA GLN 15 -6.394 4.224 -7.963
103 HB2 GLN 15 1HB GLN 15 -4.967 2.443 -9.958
104 HB3 GLN 15 2HB GLN 15 -4.505 2.735 -8.276
105 HG2 GLN 15 1HG GLN 15 -6.945 1.930 -7.763
106 HG3 GLN 15 2HG GLN 15 -6.836 1.180 -9.367
107 HE21 GLN 15 2HE2 GLN 15 -5.340 1.429 -6.182
108 HE22 GLN 15 1HE2 GLN 15 -4.532 -0.108 -6.241
109 H LEU 16 H LEU 16 -5.471 4.645 -11.381
110 HA LEU 16 HA LEU 16 -3.148 6.222 -10.863
111 HB2 LEU 16 1HB LEU 16 -4.990 6.134 -13.256
112 HB3 LEU 16 2HB LEU 16 -3.477 7.027 -13.212
113 HG LEU 16 HG LEU 16 -3.717 4.021 -12.788
114 HD11 LEU 16 1HD1 LEU 16 -2.753 3.795 -15.023
115 HD12 LEU 16 2HD1 LEU 16 -2.794 5.561 -15.236
116 HD13 LEU 16 3HD1 LEU 16 -4.306 4.635 -15.086
117 HD21 LEU 16 3HD2 LEU 16 -1.276 5.794 -13.200
118 HD22 LEU 16 1HD2 LEU 16 -1.267 4.018 -13.146
119 HD23 LEU 16 2HD2 LEU 16 -1.719 4.938 -11.707
120 H GLU 17 H GLU 17 -6.606 7.096 -11.097
121 HA GLU 17 HA GLU 17 -6.233 9.930 -10.993
122 HB2 GLU 17 1HB GLU 17 -8.480 8.150 -10.009
123 HB3 GLU 17 2HB GLU 17 -8.545 9.909 -9.939
124 HG2 GLU 17 1HG GLU 17 -8.362 10.063 -12.352
125 HG3 GLU 17 2HG GLU 17 -8.188 8.311 -12.477
126 HE2 GLU 17 HE2 GLU 17 -11.697 9.903 -12.315
127 H ASN 18 H ASN 18 -5.728 7.547 -8.473
128 HA ASN 18 HA ASN 18 -6.236 9.333 -6.232
129 HB2 ASN 18 1HB ASN 18 -4.692 6.750 -6.499
130 HB3 ASN 18 2HB ASN 18 -4.662 7.683 -5.012
131 HD21 ASN 18 2HD2 ASN 18 -7.533 7.533 -7.051
132 HD22 ASN 18 1HD2 ASN 18 -8.472 6.570 -5.939
133 H TYR 19 H TYR 19 -3.558 8.887 -8.442
134 HA TYR 19 HA TYR 19 -1.523 10.116 -6.750
135 HB2 TYR 19 1HB TYR 19 -1.761 9.576 -9.707
136 HB3 TYR 19 2HB TYR 19 -0.340 10.298 -8.997
137 HD1 TYR 19 HD1 TYR 19 -2.258 7.168 -9.320
138 HD2 TYR 19 HD2 TYR 19 1.244 9.028 -7.680
139 HE1 TYR 19 HE1 TYR 19 -1.237 4.928 -8.980
140 HE2 TYR 19 HE2 TYR 19 2.256 6.782 -7.318
141 HH TYR 19 HH TYR 19 0.572 3.763 -8.257
142 H CYS 20 H CYS 20 -4.253 11.363 -8.377
143 HA CYS 20 HA CYS 20 -3.074 13.888 -9.261
144 HB2 CYS 20 1HB CYS 20 -5.957 13.049 -8.813
145 HB3 CYS 20 2HB CYS 20 -5.446 14.568 -9.552
146 H ASN 21 H ASN 21 -3.603 15.973 -8.292
147 HA ASN 21 HA ASN 21 -3.631 15.798 -5.352
148 HB2 ASN 21 1HB ASN 21 -2.149 17.482 -6.519
149 HB3 ASN 21 2HB ASN 21 -3.606 18.319 -7.082
150 HD21 ASN 21 2HD2 ASN 21 -3.396 20.192 -5.896
151 HD22 ASN 21 1HD2 ASN 21 -3.486 20.213 -4.155
152 HXT ASN 21 H02 ASN 21 -4.987 16.474 -4.182
153 H1 PHE 1 3H0 PHE 1 -9.960 1.656 -21.135
154 H2 PHE 1 2H0 PHE 1 -9.342 0.926 -22.480
155 H3 PHE 1 1H0 PHE 1 -9.706 0.024 -21.150
156 HA PHE 1 HA PHE 1 -7.594 2.073 -21.324
157 HB2 PHE 1 1HB PHE 1 -8.827 1.821 -19.107
158 HB3 PHE 1 2HB PHE 1 -8.222 0.161 -19.040
159 HD1 PHE 1 HD2 PHE 1 -7.114 3.741 -19.262
160 HD2 PHE 1 HD1 PHE 1 -6.066 -0.291 -18.148
161 HE1 PHE 1 HE2 PHE 1 -5.006 4.577 -18.237
162 HE2 PHE 1 HE1 PHE 1 -3.970 0.545 -17.094
163 HZ PHE 1 HZ PHE 1 -3.424 2.985 -17.166
164 H VAL 2 H VAL 2 -5.413 1.184 -21.449
165 HA VAL 2 HA VAL 2 -5.435 -1.592 -22.544
166 HB VAL 2 HB VAL 2 -3.295 0.587 -22.748
167 HG11 VAL 2 1HG1 VAL 2 -3.498 -2.156 -24.084
168 HG12 VAL 2 2HG1 VAL 2 -2.263 -0.927 -24.437
169 HG13 VAL 2 3HG1 VAL 2 -2.324 -1.684 -22.832
170 HG21 VAL 2 3HG2 VAL 2 -5.316 -0.417 -24.804
171 HG22 VAL 2 1HG2 VAL 2 -5.258 1.206 -24.075
172 HG23 VAL 2 2HG2 VAL 2 -3.960 0.677 -25.158
173 H ASN 3 H ASN 3 -4.869 -3.126 -21.115
174 HA ASN 3 HA ASN 3 -3.700 -2.389 -18.573
175 HB2 ASN 3 1HB ASN 3 -4.147 -5.092 -19.888
176 HB3 ASN 3 2HB ASN 3 -3.481 -4.877 -18.263
177 HD21 ASN 3 2HD2 ASN 3 -5.887 -6.283 -18.901
178 HD22 ASN 3 1HD2 ASN 3 -7.206 -5.425 -18.144
179 H GLN 4 H GLN 4 -1.671 -2.161 -18.056
180 HA GLN 4 HA GLN 4 0.359 -3.959 -19.094
181 HB2 GLN 4 1HB GLN 4 1.871 -2.191 -19.898
182 HB3 GLN 4 2HB GLN 4 0.398 -2.204 -20.873
183 HG2 GLN 4 1HG GLN 4 -0.469 -0.281 -19.555
184 HG3 GLN 4 2HG GLN 4 1.046 -0.257 -18.641
185 HE21 GLN 4 2HE2 GLN 4 -0.537 0.528 -21.614
186 HE22 GLN 4 1HE2 GLN 4 0.798 1.409 -22.324
187 H HIS 5 H HIS 5 2.088 -3.918 -17.620
188 HA HIS 5 HA HIS 5 1.573 -2.765 -15.003
189 HB2 HIS 5 1HB HIS 5 4.172 -3.832 -16.189
190 HB3 HIS 5 2HB HIS 5 3.863 -3.494 -14.482
191 HD1 HIS 5 HD1 HIS 5 1.270 -4.832 -13.881
192 HD2 HIS 5 HD2 HIS 5 4.082 -6.552 -16.385
193 HE1 HIS 5 HE1 HIS 5 0.773 -7.348 -13.970
194 HE2 HIS 5 HE2 HIS 5 2.522 -8.365 -15.470
195 H LEU 6 H LEU 6 2.395 -0.886 -14.140
196 HA LEU 6 HA LEU 6 3.687 1.004 -16.080
197 HB2 LEU 6 1HB LEU 6 1.422 1.450 -14.109
198 HB3 LEU 6 2HB LEU 6 2.279 2.749 -14.921
199 HG LEU 6 HG LEU 6 0.734 0.611 -16.402
200 HD11 LEU 6 1HD1 LEU 6 -0.134 3.378 -15.511
201 HD12 LEU 6 2HD1 LEU 6 -0.783 1.822 -14.940
202 HD13 LEU 6 3HD1 LEU 6 -1.036 2.322 -16.624
203 HD21 LEU 6 3HD2 LEU 6 0.771 2.353 -18.218
204 HD22 LEU 6 1HD2 LEU 6 2.369 1.701 -17.815
205 HD23 LEU 6 2HD2 LEU 6 1.883 3.308 -17.216
206 H CYS 7 H CYS 7 5.712 1.210 -15.295
207 HA CYS 7 HA CYS 7 5.953 2.156 -12.492
208 HB2 CYS 7 1HB CYS 7 6.523 -0.413 -12.971
209 HB3 CYS 7 2HB CYS 7 8.033 0.280 -13.574
210 H GLY 8 H GLY 8 8.025 3.342 -12.185
211 HA2 GLY 8 1HA GLY 8 9.587 4.892 -12.901
212 HA3 GLY 8 2HA GLY 8 9.786 3.876 -14.342
213 H SER 9 H SER 9 9.857 5.371 -15.941
214 HA SER 9 HA SER 9 8.275 7.721 -16.073
215 HB2 SER 9 1HB SER 9 8.907 7.655 -18.508
216 HB3 SER 9 2HB SER 9 10.278 7.491 -17.387
217 HG SER 9 HG SER 9 10.402 5.936 -19.031
218 H HIS 10 H HIS 10 7.510 4.382 -17.072
219 HA HIS 10 HA HIS 10 5.325 5.079 -18.804
220 HB2 HIS 10 1HB HIS 10 6.111 2.619 -17.274
221 HB3 HIS 10 2HB HIS 10 4.447 2.748 -17.841
222 HD1 HIS 10 HD1 HIS 10 4.106 1.548 -20.014
223 HD2 HIS 10 HD2 HIS 10 7.901 3.352 -19.745
224 HE1 HIS 10 HE1 HIS 10 5.327 1.048 -22.183
225 HE2 HIS 10 HE2 HIS 10 7.609 2.135 -22.012
226 H LEU 11 H LEU 11 5.565 4.669 -15.272
227 HA LEU 11 HA LEU 11 2.728 4.796 -14.842
228 HB2 LEU 11 1HB LEU 11 4.354 3.890 -13.214
229 HB3 LEU 11 2HB LEU 11 5.035 5.493 -12.992
230 HG LEU 11 HG LEU 11 3.038 6.271 -11.884
231 HD11 LEU 11 1HD1 LEU 11 1.159 4.715 -11.378
232 HD12 LEU 11 2HD1 LEU 11 1.865 3.535 -12.507
233 HD13 LEU 11 3HD1 LEU 11 1.283 5.113 -13.098
234 HD21 LEU 11 3HD2 LEU 11 4.736 5.008 -10.587
235 HD22 LEU 11 1HD2 LEU 11 3.833 3.500 -10.881
236 HD23 LEU 11 2HD2 LEU 11 3.105 4.805 -9.915
237 H VAL 12 H VAL 12 5.329 7.267 -14.746
238 HA VAL 12 HA VAL 12 3.607 9.402 -13.971
239 HB VAL 12 HB VAL 12 6.188 9.518 -15.584
240 HG11 VAL 12 1HG1 VAL 12 4.950 11.622 -15.701
241 HG12 VAL 12 2HG1 VAL 12 4.813 11.650 -13.928
242 HG13 VAL 12 3HG1 VAL 12 6.404 11.802 -14.706
243 HG21 VAL 12 3HG2 VAL 12 7.258 9.957 -13.360
244 HG22 VAL 12 1HG2 VAL 12 5.702 9.596 -12.578
245 HG23 VAL 12 2HG2 VAL 12 6.565 8.332 -13.485
246 H GLU 13 H GLU 13 4.593 8.224 -17.231
247 HA GLU 13 HA GLU 13 3.193 10.328 -18.608
248 HB2 GLU 13 1HB GLU 13 4.066 7.572 -19.507
249 HB3 GLU 13 2HB GLU 13 3.327 8.773 -20.575
250 HG2 GLU 13 1HG GLU 13 5.963 9.035 -19.094
251 HG3 GLU 13 2HG GLU 13 5.735 8.867 -20.840
252 HE2 GLU 13 HE2 GLU 13 4.094 10.476 -21.515
253 H ALA 14 H ALA 14 2.153 7.239 -17.258
254 HA ALA 14 HA ALA 14 -0.375 7.210 -18.670
255 HB1 ALA 14 3HB ALA 14 0.406 5.951 -16.010
256 HB2 ALA 14 1HB ALA 14 -1.030 5.553 -16.981
257 HB3 ALA 14 2HB ALA 14 0.595 5.199 -17.611
258 H LEU 15 H LEU 15 0.819 8.576 -15.595
259 HA LEU 15 HA LEU 15 -1.753 9.402 -14.645
260 HB2 LEU 15 1HB LEU 15 1.030 10.492 -14.106
261 HB3 LEU 15 2HB LEU 15 -0.413 11.009 -13.250
262 HG LEU 15 HG LEU 15 0.688 8.196 -13.204
263 HD11 LEU 15 1HD1 LEU 15 1.344 8.643 -10.921
264 HD12 LEU 15 2HD1 LEU 15 0.761 10.314 -11.064
265 HD13 LEU 15 3HD1 LEU 15 2.151 9.769 -12.028
266 HD21 LEU 15 3HD2 LEU 15 -1.653 8.154 -12.958
267 HD22 LEU 15 1HD2 LEU 15 -1.609 9.508 -11.812
268 HD23 LEU 15 2HD2 LEU 15 -0.925 7.926 -11.372
269 H TYR 16 H TYR 16 0.588 10.957 -16.841
270 HA TYR 16 HA TYR 16 -0.695 13.516 -16.930
271 HB2 TYR 16 1HB TYR 16 0.985 11.947 -18.893
272 HB3 TYR 16 2HB TYR 16 0.170 13.424 -19.406
273 HD1 TYR 16 HD1 TYR 16 0.593 15.589 -18.024
274 HD2 TYR 16 HD2 TYR 16 3.124 12.119 -17.839
275 HE1 TYR 16 HE1 TYR 16 2.459 16.983 -17.123
276 HE2 TYR 16 HE2 TYR 16 4.984 13.518 -16.962
277 HH TYR 16 HH TYR 16 4.626 17.017 -16.390
278 H LEU 17 H LEU 17 -1.370 10.453 -18.654
279 HA LEU 17 HA LEU 17 -3.391 11.643 -20.344
280 HB2 LEU 17 1HB LEU 17 -3.011 8.770 -19.461
281 HB3 LEU 17 2HB LEU 17 -4.087 9.319 -20.731
282 HG LEU 17 HG LEU 17 -1.069 9.611 -20.822
283 HD11 LEU 17 1HD1 LEU 17 -2.862 7.495 -22.080
284 HD12 LEU 17 2HD1 LEU 17 -1.748 7.237 -20.714
285 HD13 LEU 17 3HD1 LEU 17 -1.105 7.658 -22.317
286 HD21 LEU 17 3HD2 LEU 17 -3.206 9.880 -22.974
287 HD22 LEU 17 1HD2 LEU 17 -1.450 9.934 -23.251
288 HD23 LEU 17 2HD2 LEU 17 -2.230 11.198 -22.284
289 H VAL 18 H VAL 18 -3.534 9.771 -17.292
290 HA VAL 18 HA VAL 18 -6.422 9.635 -17.349
291 HB VAL 18 HB VAL 18 -4.432 9.138 -15.082
292 HG11 VAL 18 1HG1 VAL 18 -6.293 7.833 -14.043
293 HG12 VAL 18 2HG1 VAL 18 -6.626 9.569 -14.120
294 HG13 VAL 18 3HG1 VAL 18 -7.398 8.465 -15.286
295 HG21 VAL 18 3HG2 VAL 18 -4.085 7.623 -16.921
296 HG22 VAL 18 1HG2 VAL 18 -4.933 6.749 -15.645
297 HG23 VAL 18 2HG2 VAL 18 -5.828 7.310 -17.070
298 H CYS 19 H CYS 19 -4.073 11.721 -15.631
299 HA CYS 19 HA CYS 19 -6.307 13.073 -14.301
300 HB2 CYS 19 1HB CYS 19 -3.723 12.737 -13.581
301 HB3 CYS 19 2HB CYS 19 -3.650 14.365 -14.286
302 H GLY 20 H GLY 20 -4.489 13.406 -17.284
303 HA2 GLY 20 1HA GLY 20 -4.756 14.938 -18.982
304 HA3 GLY 20 2HA GLY 20 -6.266 15.454 -18.206
305 H GLU 21 H GLU 21 -5.922 17.620 -18.607
306 HA GLU 21 HA GLU 21 -3.516 19.016 -17.935
307 HB2 GLU 21 1HB GLU 21 -6.359 19.993 -18.357
308 HB3 GLU 21 2HB GLU 21 -4.940 21.043 -18.242
309 HG2 GLU 21 1HG GLU 21 -3.966 19.937 -20.234
310 HG3 GLU 21 2HG GLU 21 -5.411 18.924 -20.372
311 HE2 GLU 21 HE2 GLU 21 -5.818 21.651 -22.585
312 H ARG 22 H ARG 22 -5.789 17.711 -15.784
313 HA ARG 22 HA ARG 22 -5.999 19.873 -13.885
314 HB2 ARG 22 1HB ARG 22 -6.204 16.866 -13.527
315 HB3 ARG 22 2HB ARG 22 -6.598 18.045 -12.278
316 HG2 ARG 22 1HG ARG 22 -8.385 18.976 -13.651
317 HG3 ARG 22 2HG ARG 22 -7.989 17.865 -14.976
318 HD2 ARG 22 1HD ARG 22 -8.781 16.939 -12.195
319 HD3 ARG 22 2HD ARG 22 -9.941 17.180 -13.517
320 HE ARG 22 HE ARG 22 -7.885 15.513 -14.505
321 HH11 ARG 22 1HH1 ARG 22 -10.423 15.321 -12.053
322 HH12 ARG 22 2HH1 ARG 22 -10.605 13.597 -12.238
323 HH21 ARG 22 1HH2 ARG 22 -8.202 13.303 -14.709
324 HH22 ARG 22 2HH2 ARG 22 -9.365 12.484 -13.705
325 H GLY 23 H GLY 23 -3.500 17.521 -14.556
326 HA2 GLY 23 1HA GLY 23 -1.308 17.575 -13.752
327 HA3 GLY 23 2HA GLY 23 -1.763 18.833 -12.592
328 H PHE 24 H PHE 24 -0.111 16.623 -11.980
329 HA PHE 24 HA PHE 24 -1.655 15.339 -9.826
330 HB2 PHE 24 1HB PHE 24 -0.977 13.091 -10.488
331 HB3 PHE 24 2HB PHE 24 -1.940 13.816 -11.776
332 HD1 PHE 24 HD1 PHE 24 -0.896 14.517 -13.884
333 HD2 PHE 24 HD2 PHE 24 1.378 12.601 -10.791
334 HE1 PHE 24 HE1 PHE 24 0.938 14.098 -15.491
335 HE2 PHE 24 HE2 PHE 24 3.215 12.142 -12.415
336 HZ PHE 24 HZ PHE 24 2.995 12.912 -14.777
337 H PHE 25 H PHE 25 0.111 13.847 -8.638
338 HA PHE 25 HA PHE 25 2.770 15.170 -8.899
339 HB2 PHE 25 1HB PHE 25 2.993 15.296 -6.481
340 HB3 PHE 25 2HB PHE 25 1.575 16.219 -6.992
341 HD1 PHE 25 HD1 PHE 25 -0.713 15.404 -6.487
342 HD2 PHE 25 HD2 PHE 25 2.776 13.278 -5.135
343 HE1 PHE 25 HE1 PHE 25 -2.126 14.095 -4.910
344 HE2 PHE 25 HE2 PHE 25 1.366 11.967 -3.556
345 HZ PHE 25 HZ PHE 25 -1.093 12.365 -3.452
346 H TYR 26 H TYR 26 4.498 13.818 -7.987
347 HA TYR 26 HA TYR 26 3.762 11.014 -7.463
348 HB2 TYR 26 1HB TYR 26 4.092 11.192 -9.948
349 HB3 TYR 26 2HB TYR 26 5.739 11.775 -9.653
350 HD1 TYR 26 HD1 TYR 26 3.467 8.900 -8.730
351 HD2 TYR 26 HD2 TYR 26 7.481 10.178 -9.618
352 HE1 TYR 26 HE1 TYR 26 4.263 6.541 -8.556
353 HE2 TYR 26 HE2 TYR 26 8.257 7.809 -9.470
354 HH TYR 26 HH TYR 26 7.685 5.648 -9.067
355 H THR 27 H THR 27 5.223 10.087 -6.076
356 HA THR 27 HA THR 27 7.498 11.826 -5.222
357 HB THR 27 HB THR 27 5.951 12.152 -3.515
358 HG1 THR 27 HG1 THR 27 7.828 11.513 -2.551
359 HG21 THR 27 1HG2 THR 27 4.202 10.666 -4.073
360 HG22 THR 27 2HG2 THR 27 4.731 10.191 -2.446
361 HG23 THR 27 3HG2 THR 27 5.234 9.234 -3.863
362 HA PRO 28 HA PRO 28 9.062 7.708 -6.489
363 HB2 PRO 28 1HB PRO 28 11.453 8.581 -7.496
364 HB3 PRO 28 2HB PRO 28 9.924 8.696 -8.419
365 HG2 PRO 28 1HG PRO 28 11.308 10.782 -6.788
366 HG3 PRO 28 2HG PRO 28 10.646 10.896 -8.448
367 HD2 PRO 28 1HD PRO 28 9.292 11.798 -6.280
368 HD3 PRO 28 2HD PRO 28 8.420 11.043 -7.655
369 H LYS 29 H LYS 29 10.766 6.401 -5.622
370 HA LYS 29 HA LYS 29 12.216 7.579 -3.304
371 HB2 LYS 29 1HB LYS 29 10.651 4.966 -3.195
372 HB3 LYS 29 2HB LYS 29 11.492 5.774 -1.859
373 HG2 LYS 29 1HG LYS 29 9.901 7.721 -2.192
374 HG3 LYS 29 2HG LYS 29 9.005 6.701 -3.330
375 HD2 LYS 29 1HD LYS 29 8.763 5.018 -1.443
376 HD3 LYS 29 2HD LYS 29 9.370 6.296 -0.364
377 HE2 LYS 29 1HE LYS 29 6.872 6.336 -2.110
378 HE3 LYS 29 2HE LYS 29 6.953 6.423 -0.339
379 HZ1 LYS 29 3HZ LYS 29 6.575 8.606 -1.247
380 HZ2 LYS 29 1HZ LYS 29 7.865 8.494 -2.266
381 HZ3 LYS 29 2HZ LYS 29 8.106 8.590 -0.634
382 H THR 30 H THR 30 14.266 6.851 -3.168
383 HA THR 30 HA THR 30 15.144 4.826 -5.157
384 HB THR 30 HB THR 30 17.443 5.882 -4.410
385 HG1 THR 30 HG1 THR 30 17.096 8.029 -3.614
386 HG21 THR 30 1HG2 THR 30 17.134 7.758 -6.027
387 HG22 THR 30 2HG2 THR 30 15.372 7.603 -5.919
388 HG23 THR 30 3HG2 THR 30 16.339 6.308 -6.655
389 HXT THR 30 H02 THR 30 15.873 3.825 -1.503
Start of MODEL 19
1 H1 GLY 1 3H0 GLY 1 3.978 -1.740 -2.224
2 H2 GLY 1 2H0 GLY 1 4.223 -1.586 -0.602
3 H3 GLY 1 1H0 GLY 1 2.705 -1.417 -1.226
4 HA2 GLY 1 1HA GLY 1 3.657 0.741 -0.644
5 HA3 GLY 1 2HA GLY 1 4.977 0.399 -1.779
6 H ILE 2 H ILE 2 3.139 2.706 -2.003
7 HA ILE 2 HA ILE 2 0.910 2.029 -3.567
8 HB ILE 2 HB ILE 2 1.258 4.168 -2.318
9 HG12 ILE 2 1HG1 ILE 2 0.438 4.550 -5.203
10 HG13 ILE 2 2HG1 ILE 2 -0.545 3.715 -4.006
11 HG21 ILE 2 1HG2 ILE 2 2.442 6.051 -3.290
12 HG22 ILE 2 2HG2 ILE 2 3.576 4.694 -3.231
13 HG23 ILE 2 3HG2 ILE 2 2.804 5.148 -4.773
14 HD11 ILE 2 3HD1 ILE 2 0.264 6.653 -3.959
15 HD12 ILE 2 1HD1 ILE 2 -1.355 5.988 -4.258
16 HD13 ILE 2 2HD1 ILE 2 -0.617 5.827 -2.648
17 H VAL 3 H VAL 3 4.159 2.965 -4.832
18 HA VAL 3 HA VAL 3 3.295 2.838 -7.582
19 HB VAL 3 HB VAL 3 5.319 4.082 -6.959
20 HG11 VAL 3 1HG1 VAL 3 6.090 2.686 -5.056
21 HG12 VAL 3 2HG1 VAL 3 6.594 1.414 -6.199
22 HG13 VAL 3 3HG1 VAL 3 7.389 3.002 -6.214
23 HG21 VAL 3 3HG2 VAL 3 5.185 3.094 -9.247
24 HG22 VAL 3 1HG2 VAL 3 6.853 3.304 -8.687
25 HG23 VAL 3 2HG2 VAL 3 6.106 1.686 -8.686
26 H GLU 4 H GLU 4 4.341 0.463 -5.253
27 HA GLU 4 HA GLU 4 5.132 -1.601 -7.048
28 HB2 GLU 4 1HB GLU 4 5.628 -1.432 -4.580
29 HB3 GLU 4 2HB GLU 4 3.949 -1.868 -4.273
30 HG2 GLU 4 1HG GLU 4 4.306 -4.036 -5.396
31 HG3 GLU 4 2HG GLU 4 6.011 -3.609 -5.628
32 HE2 GLU 4 HE2 GLU 4 5.718 -5.660 -4.442
33 H GLN 5 H GLN 5 1.989 -0.579 -5.713
34 HA GLN 5 HA GLN 5 0.551 -2.923 -6.391
35 HB2 GLN 5 1HB GLN 5 -0.519 -0.081 -6.508
36 HB3 GLN 5 2HB GLN 5 -1.448 -1.566 -6.304
37 HG2 GLN 5 1HG GLN 5 0.387 -0.206 -4.325
38 HG3 GLN 5 2HG GLN 5 -1.333 -0.541 -4.159
39 HE21 GLN 5 2HE2 GLN 5 -1.827 -3.029 -4.351
40 HE22 GLN 5 1HE2 GLN 5 -0.779 -4.047 -3.393
41 H CYS 6 H CYS 6 1.369 -0.040 -8.350
42 HA CYS 6 HA CYS 6 -0.138 -0.994 -10.673
43 HB2 CYS 6 1HB CYS 6 1.921 1.199 -10.265
44 HB3 CYS 6 2HB CYS 6 1.205 0.834 -11.836
45 H CYS 7 H CYS 7 3.067 -1.515 -9.409
46 HA CYS 7 HA CYS 7 4.106 -2.307 -12.027
47 HB2 CYS 7 1HB CYS 7 5.301 -2.229 -9.260
48 HB3 CYS 7 2HB CYS 7 6.137 -2.952 -10.644
49 H THR 8 H THR 8 2.865 -3.903 -9.081
50 HA THR 8 HA THR 8 3.707 -6.518 -10.126
51 HB THR 8 HB THR 8 3.823 -5.906 -7.659
52 HG1 THR 8 HG1 THR 8 2.454 -8.235 -8.555
53 HG21 THR 8 1HG2 THR 8 1.882 -6.161 -6.282
54 HG22 THR 8 2HG2 THR 8 0.871 -6.615 -7.667
55 HG23 THR 8 3HG2 THR 8 1.479 -4.951 -7.516
56 H SER 9 H SER 9 0.653 -4.690 -9.789
57 HA SER 9 HA SER 9 -0.566 -6.704 -11.640
58 HB2 SER 9 1HB SER 9 -1.930 -5.450 -9.193
59 HB3 SER 9 2HB SER 9 -2.688 -6.547 -10.369
60 HG SER 9 HG SER 9 -2.041 -7.756 -8.606
61 H ILE 10 H ILE 10 -2.614 -5.635 -12.655
62 HA ILE 10 HA ILE 10 -1.630 -3.043 -13.588
63 HB ILE 10 HB ILE 10 -4.225 -4.436 -14.359
64 HG12 ILE 10 1HG1 ILE 10 -2.289 -5.935 -14.765
65 HG13 ILE 10 2HG1 ILE 10 -3.121 -5.440 -16.227
66 HG21 ILE 10 1HG2 ILE 10 -3.984 -3.024 -16.420
67 HG22 ILE 10 2HG2 ILE 10 -4.162 -2.057 -14.953
68 HG23 ILE 10 3HG2 ILE 10 -2.557 -2.248 -15.693
69 HD11 ILE 10 3HD1 ILE 10 -1.355 -3.905 -16.818
70 HD12 ILE 10 1HD1 ILE 10 -0.540 -4.173 -15.262
71 HD13 ILE 10 2HD1 ILE 10 -0.647 -5.487 -16.452
72 H CYS 11 H CYS 11 -2.119 -1.187 -12.579
73 HA CYS 11 HA CYS 11 -4.577 -1.022 -10.943
74 HB2 CYS 11 1HB CYS 11 -3.719 1.240 -10.379
75 HB3 CYS 11 2HB CYS 11 -2.570 -0.046 -9.995
76 H SER 12 H SER 12 -6.422 -0.051 -11.691
77 HA SER 12 HA SER 12 -6.522 0.563 -14.552
78 HB2 SER 12 1HB SER 12 -8.921 0.736 -14.206
79 HB3 SER 12 2HB SER 12 -8.325 -0.702 -13.349
80 HG SER 12 HG SER 12 -9.570 0.326 -11.883
81 H LEU 13 H LEU 13 -7.834 2.595 -15.196
82 HA LEU 13 HA LEU 13 -6.383 4.892 -14.428
83 HB2 LEU 13 1HB LEU 13 -7.853 6.129 -15.788
84 HB3 LEU 13 2HB LEU 13 -7.674 4.555 -16.542
85 HG LEU 13 HG LEU 13 -9.970 4.163 -15.101
86 HD11 LEU 13 1HD1 LEU 13 -10.054 6.523 -14.362
87 HD12 LEU 13 2HD1 LEU 13 -11.401 6.146 -15.449
88 HD13 LEU 13 3HD1 LEU 13 -10.002 7.062 -16.055
89 HD21 LEU 13 3HD2 LEU 13 -9.627 3.591 -17.441
90 HD22 LEU 13 1HD2 LEU 13 -9.714 5.314 -17.896
91 HD23 LEU 13 2HD2 LEU 13 -11.146 4.484 -17.236
92 H TYR 14 H TYR 14 -9.304 3.491 -13.025
93 HA TYR 14 HA TYR 14 -10.120 5.845 -11.606
94 HB2 TYR 14 1HB TYR 14 -10.615 2.949 -10.850
95 HB3 TYR 14 2HB TYR 14 -11.600 4.355 -10.421
96 HD1 TYR 14 HD1 TYR 14 -12.748 5.644 -12.378
97 HD2 TYR 14 HD2 TYR 14 -11.033 1.723 -12.829
98 HE1 TYR 14 HE1 TYR 14 -14.064 5.303 -14.471
99 HE2 TYR 14 HE2 TYR 14 -12.345 1.396 -14.933
100 HH TYR 14 HH TYR 14 -14.584 3.873 -16.183
101 H GLN 15 H GLN 15 -7.974 3.111 -10.869
102 HA GLN 15 HA GLN 15 -7.543 3.896 -8.119
103 HB2 GLN 15 1HB GLN 15 -5.690 2.286 -9.912
104 HB3 GLN 15 2HB GLN 15 -5.718 2.306 -8.147
105 HG2 GLN 15 1HG GLN 15 -7.769 1.129 -10.040
106 HG3 GLN 15 2HG GLN 15 -6.754 0.269 -8.882
107 HE21 GLN 15 2HE2 GLN 15 -7.120 1.012 -6.517
108 HE22 GLN 15 1HE2 GLN 15 -8.790 1.248 -6.065
109 H LEU 16 H LEU 16 -5.979 4.482 -11.245
110 HA LEU 16 HA LEU 16 -3.717 5.898 -10.260
111 HB2 LEU 16 1HB LEU 16 -5.127 5.860 -12.917
112 HB3 LEU 16 2HB LEU 16 -3.721 6.881 -12.631
113 HG LEU 16 HG LEU 16 -3.692 3.880 -12.191
114 HD11 LEU 16 1HD1 LEU 16 -2.770 5.420 -14.645
115 HD12 LEU 16 2HD1 LEU 16 -4.198 4.358 -14.556
116 HD13 LEU 16 3HD1 LEU 16 -2.574 3.674 -14.353
117 HD21 LEU 16 3HD2 LEU 16 -1.469 5.941 -12.519
118 HD22 LEU 16 1HD2 LEU 16 -1.234 4.188 -12.372
119 HD23 LEU 16 2HD2 LEU 16 -1.910 5.100 -11.014
120 H GLU 17 H GLU 17 -7.031 7.061 -10.894
121 HA GLU 17 HA GLU 17 -6.454 9.848 -10.900
122 HB2 GLU 17 1HB GLU 17 -8.832 8.281 -9.853
123 HB3 GLU 17 2HB GLU 17 -8.772 10.041 -9.809
124 HG2 GLU 17 1HG GLU 17 -8.356 8.604 -12.420
125 HG3 GLU 17 2HG GLU 17 -9.983 8.822 -11.773
126 HE2 GLU 17 HE2 GLU 17 -7.910 11.952 -13.022
127 H ASN 18 H ASN 18 -6.543 7.531 -8.219
128 HA ASN 18 HA ASN 18 -6.631 9.511 -6.136
129 HB2 ASN 18 1HB ASN 18 -5.588 6.664 -6.101
130 HB3 ASN 18 2HB ASN 18 -5.833 7.671 -4.671
131 HD21 ASN 18 2HD2 ASN 18 -7.160 5.273 -6.426
132 HD22 ASN 18 1HD2 ASN 18 -8.849 5.533 -6.053
133 H TYR 19 H TYR 19 -4.039 8.281 -8.145
134 HA TYR 19 HA TYR 19 -1.863 8.918 -6.341
135 HB2 TYR 19 1HB TYR 19 -2.005 8.480 -9.329
136 HB3 TYR 19 2HB TYR 19 -0.503 8.832 -8.493
137 HD1 TYR 19 HD2 TYR 19 -3.400 6.431 -8.035
138 HD2 TYR 19 HD1 TYR 19 0.859 6.992 -8.111
139 HE1 TYR 19 HE2 TYR 19 -3.085 4.032 -7.569
140 HE2 TYR 19 HE1 TYR 19 1.170 4.565 -7.660
141 HH TYR 19 HH TYR 19 0.101 2.560 -7.070
142 H CYS 20 H CYS 20 -3.893 10.750 -8.511
143 HA CYS 20 HA CYS 20 -2.080 13.097 -8.188
144 HB2 CYS 20 1HB CYS 20 -2.864 13.901 -10.317
145 HB3 CYS 20 2HB CYS 20 -2.133 12.311 -10.502
146 H ASN 21 H ASN 21 -4.309 12.046 -6.507
147 HA ASN 21 HA ASN 21 -6.615 13.731 -6.935
148 HB2 ASN 21 1HB ASN 21 -6.710 11.561 -5.706
149 HB3 ASN 21 2HB ASN 21 -5.766 12.258 -4.390
150 HD21 ASN 21 2HD2 ASN 21 -8.856 11.897 -5.831
151 HD22 ASN 21 1HD2 ASN 21 -9.733 12.896 -4.702
152 HXT ASN 21 H02 ASN 21 -4.536 15.665 -4.286
153 H1 PHE 1 3H0 PHE 1 -9.441 3.755 -21.832
154 H2 PHE 1 2H0 PHE 1 -8.996 2.809 -23.110
155 H3 PHE 1 1H0 PHE 1 -9.906 2.173 -21.894
156 HA PHE 1 HA PHE 1 -7.126 3.120 -21.654
157 HB2 PHE 1 1HB PHE 1 -8.796 3.366 -19.676
158 HB3 PHE 1 2HB PHE 1 -8.712 1.605 -19.565
159 HD1 PHE 1 HD2 PHE 1 -6.697 4.750 -19.389
160 HD2 PHE 1 HD1 PHE 1 -6.829 0.533 -18.507
161 HE1 PHE 1 HE2 PHE 1 -4.629 4.976 -18.023
162 HE2 PHE 1 HE1 PHE 1 -4.751 0.754 -17.144
163 HZ PHE 1 HZ PHE 1 -3.646 2.979 -16.910
164 H VAL 2 H VAL 2 -5.582 1.308 -21.242
165 HA VAL 2 HA VAL 2 -6.601 -1.350 -22.094
166 HB VAL 2 HB VAL 2 -5.784 -0.205 -24.172
167 HG11 VAL 2 1HG1 VAL 2 -4.136 1.331 -23.161
168 HG12 VAL 2 2HG1 VAL 2 -3.092 -0.052 -22.750
169 HG13 VAL 2 3HG1 VAL 2 -3.406 0.359 -24.451
170 HG21 VAL 2 3HG2 VAL 2 -4.276 -1.958 -24.942
171 HG22 VAL 2 1HG2 VAL 2 -3.889 -2.420 -23.271
172 HG23 VAL 2 2HG2 VAL 2 -5.535 -2.667 -23.912
173 H ASN 3 H ASN 3 -5.362 -3.045 -21.140
174 HA ASN 3 HA ASN 3 -3.899 -2.108 -18.782
175 HB2 ASN 3 1HB ASN 3 -3.794 -4.399 -18.074
176 HB3 ASN 3 2HB ASN 3 -5.462 -4.037 -18.566
177 HD21 ASN 3 2HD2 ASN 3 -6.181 -4.908 -20.640
178 HD22 ASN 3 1HD2 ASN 3 -5.405 -6.339 -21.270
179 H GLN 4 H GLN 4 -1.828 -1.870 -18.602
180 HA GLN 4 HA GLN 4 0.001 -3.797 -19.714
181 HB2 GLN 4 1HB GLN 4 1.462 -2.156 -20.869
182 HB3 GLN 4 2HB GLN 4 -0.077 -2.386 -21.702
183 HG2 GLN 4 1HG GLN 4 -0.913 -0.297 -20.676
184 HG3 GLN 4 2HG GLN 4 0.670 -0.040 -19.950
185 HE21 GLN 4 2HE2 GLN 4 -1.256 0.622 -22.595
186 HE22 GLN 4 1HE2 GLN 4 -0.006 1.148 -23.696
187 H HIS 5 H HIS 5 1.748 -3.856 -18.316
188 HA HIS 5 HA HIS 5 1.587 -2.283 -15.892
189 HB2 HIS 5 1HB HIS 5 3.471 -4.307 -17.050
190 HB3 HIS 5 2HB HIS 5 4.042 -3.300 -15.729
191 HD1 HIS 5 HD1 HIS 5 2.155 -3.170 -13.588
192 HD2 HIS 5 HD2 HIS 5 2.297 -6.526 -16.055
193 HE1 HIS 5 HE1 HIS 5 1.073 -5.053 -12.338
194 HE2 HIS 5 HE2 HIS 5 1.202 -7.110 -13.788
195 H LEU 6 H LEU 6 2.516 -0.427 -15.341
196 HA LEU 6 HA LEU 6 4.635 0.700 -17.105
197 HB2 LEU 6 1HB LEU 6 2.178 2.140 -16.031
198 HB3 LEU 6 2HB LEU 6 3.504 2.911 -16.892
199 HG LEU 6 HG LEU 6 1.730 0.776 -18.115
200 HD11 LEU 6 1HD1 LEU 6 1.518 3.782 -18.419
201 HD12 LEU 6 2HD1 LEU 6 0.407 2.752 -17.477
202 HD13 LEU 6 3HD1 LEU 6 0.523 2.553 -19.236
203 HD21 LEU 6 3HD2 LEU 6 3.955 1.130 -19.209
204 HD22 LEU 6 1HD2 LEU 6 3.494 2.835 -19.476
205 HD23 LEU 6 2HD2 LEU 6 2.577 1.529 -20.244
206 H CYS 7 H CYS 7 6.323 1.429 -15.916
207 HA CYS 7 HA CYS 7 5.894 2.138 -13.052
208 HB2 CYS 7 1HB CYS 7 8.048 0.279 -14.139
209 HB3 CYS 7 2HB CYS 7 7.974 0.890 -12.483
210 H GLY 8 H GLY 8 7.777 3.447 -12.238
211 HA2 GLY 8 1HA GLY 8 9.347 5.129 -12.504
212 HA3 GLY 8 2HA GLY 8 9.850 4.300 -13.988
213 H SER 9 H SER 9 10.079 5.980 -15.394
214 HA SER 9 HA SER 9 8.387 8.255 -15.543
215 HB2 SER 9 1HB SER 9 9.395 8.509 -17.821
216 HB3 SER 9 2HB SER 9 10.595 8.224 -16.540
217 HG SER 9 HG SER 9 10.986 6.910 -18.363
218 H HIS 10 H HIS 10 7.988 5.002 -16.904
219 HA HIS 10 HA HIS 10 5.982 5.810 -18.834
220 HB2 HIS 10 1HB HIS 10 6.710 3.155 -17.584
221 HB3 HIS 10 2HB HIS 10 5.353 3.344 -18.681
222 HD1 HIS 10 HD1 HIS 10 5.912 2.669 -21.011
223 HD2 HIS 10 HD2 HIS 10 9.166 4.464 -19.058
224 HE1 HIS 10 HE1 HIS 10 7.838 2.735 -22.677
225 HE2 HIS 10 HE2 HIS 10 9.790 3.809 -21.483
226 H LEU 11 H LEU 11 5.899 5.026 -15.371
227 HA LEU 11 HA LEU 11 2.991 4.852 -15.293
228 HB2 LEU 11 1HB LEU 11 4.531 3.825 -13.604
229 HB3 LEU 11 2HB LEU 11 4.938 5.441 -13.040
230 HG LEU 11 HG LEU 11 2.618 5.795 -12.312
231 HD11 LEU 11 1HD1 LEU 11 1.364 4.425 -13.896
232 HD12 LEU 11 2HD1 LEU 11 1.041 3.856 -12.253
233 HD13 LEU 11 3HD1 LEU 11 2.153 2.944 -13.295
234 HD21 LEU 11 3HD2 LEU 11 3.752 3.145 -11.335
235 HD22 LEU 11 1HD2 LEU 11 2.646 4.223 -10.449
236 HD23 LEU 11 2HD2 LEU 11 4.301 4.757 -10.808
237 H VAL 12 H VAL 12 5.449 7.381 -14.910
238 HA VAL 12 HA VAL 12 3.698 9.468 -14.025
239 HB VAL 12 HB VAL 12 6.265 9.606 -15.692
240 HG11 VAL 12 1HG1 VAL 12 4.978 11.685 -15.914
241 HG12 VAL 12 2HG1 VAL 12 4.873 11.809 -14.143
242 HG13 VAL 12 3HG1 VAL 12 6.447 11.935 -14.953
243 HG21 VAL 12 3HG2 VAL 12 5.793 9.914 -12.699
244 HG22 VAL 12 1HG2 VAL 12 6.603 8.549 -13.491
245 HG23 VAL 12 2HG2 VAL 12 7.348 10.157 -13.528
246 H GLU 13 H GLU 13 4.591 8.247 -17.278
247 HA GLU 13 HA GLU 13 3.019 10.193 -18.706
248 HB2 GLU 13 1HB GLU 13 4.059 7.450 -19.450
249 HB3 GLU 13 2HB GLU 13 3.156 8.480 -20.569
250 HG2 GLU 13 1HG GLU 13 5.781 9.208 -19.229
251 HG3 GLU 13 2HG GLU 13 5.578 8.701 -20.910
252 HE2 GLU 13 HE2 GLU 13 5.254 12.399 -20.010
253 H ALA 14 H ALA 14 2.170 7.192 -17.068
254 HA ALA 14 HA ALA 14 -0.387 6.878 -18.372
255 HB1 ALA 14 3HB ALA 14 0.916 5.193 -16.861
256 HB2 ALA 14 1HB ALA 14 0.202 6.078 -15.501
257 HB3 ALA 14 2HB ALA 14 -0.853 5.278 -16.687
258 H LEU 15 H LEU 15 0.793 8.557 -15.448
259 HA LEU 15 HA LEU 15 -1.784 9.467 -14.593
260 HB2 LEU 15 1HB LEU 15 1.011 10.491 -14.051
261 HB3 LEU 15 2HB LEU 15 -0.432 11.092 -13.235
262 HG LEU 15 HG LEU 15 0.443 8.186 -13.156
263 HD11 LEU 15 1HD1 LEU 15 0.914 10.384 -11.106
264 HD12 LEU 15 2HD1 LEU 15 2.158 9.599 -12.110
265 HD13 LEU 15 3HD1 LEU 15 1.272 8.652 -10.895
266 HD21 LEU 15 3HD2 LEU 15 -1.080 8.060 -11.257
267 HD22 LEU 15 1HD2 LEU 15 -1.944 8.591 -12.703
268 HD23 LEU 15 2HD2 LEU 15 -1.501 9.777 -11.456
269 H TYR 16 H TYR 16 0.586 10.820 -16.853
270 HA TYR 16 HA TYR 16 -0.500 13.426 -17.155
271 HB2 TYR 16 1HB TYR 16 1.010 11.514 -18.889
272 HB3 TYR 16 2HB TYR 16 0.100 12.764 -19.728
273 HD1 TYR 16 HD2 TYR 16 0.573 15.214 -19.207
274 HD2 TYR 16 HD1 TYR 16 3.126 12.025 -17.863
275 HE1 TYR 16 HE2 TYR 16 2.429 16.841 -18.840
276 HE2 TYR 16 HE1 TYR 16 4.981 13.655 -17.521
277 HH TYR 16 HH TYR 16 4.604 17.133 -18.180
278 H LEU 17 H LEU 17 -1.447 10.310 -18.659
279 HA LEU 17 HA LEU 17 -3.567 11.491 -20.222
280 HB2 LEU 17 1HB LEU 17 -3.155 8.631 -19.309
281 HB3 LEU 17 2HB LEU 17 -4.297 9.161 -20.532
282 HG LEU 17 HG LEU 17 -1.284 9.440 -20.780
283 HD11 LEU 17 1HD1 LEU 17 -1.965 7.077 -20.635
284 HD12 LEU 17 2HD1 LEU 17 -1.414 7.489 -22.272
285 HD13 LEU 17 3HD1 LEU 17 -3.154 7.335 -21.937
286 HD21 LEU 17 3HD2 LEU 17 -3.527 9.726 -22.822
287 HD22 LEU 17 1HD2 LEU 17 -1.786 9.756 -23.191
288 HD23 LEU 17 2HD2 LEU 17 -2.500 11.033 -22.189
289 H VAL 18 H VAL 18 -3.486 9.794 -17.086
290 HA VAL 18 HA VAL 18 -6.352 9.554 -16.929
291 HB VAL 18 HB VAL 18 -4.170 9.268 -14.816
292 HG11 VAL 18 1HG1 VAL 18 -6.183 9.708 -13.613
293 HG12 VAL 18 2HG1 VAL 18 -7.139 8.648 -14.674
294 HG13 VAL 18 3HG1 VAL 18 -5.933 7.962 -13.564
295 HG21 VAL 18 3HG2 VAL 18 -4.100 7.663 -16.694
296 HG22 VAL 18 1HG2 VAL 18 -4.518 6.874 -15.170
297 HG23 VAL 18 2HG2 VAL 18 -5.781 7.213 -16.374
298 H CYS 19 H CYS 19 -4.036 11.828 -15.402
299 HA CYS 19 HA CYS 19 -6.339 13.253 -14.205
300 HB2 CYS 19 1HB CYS 19 -3.531 13.099 -13.646
301 HB3 CYS 19 2HB CYS 19 -3.962 14.790 -13.957
302 H GLY 20 H GLY 20 -4.468 13.305 -17.139
303 HA2 GLY 20 1HA GLY 20 -4.849 14.566 -19.020
304 HA3 GLY 20 2HA GLY 20 -6.274 15.241 -18.222
305 H GLU 21 H GLU 21 -5.784 17.207 -19.250
306 HA GLU 21 HA GLU 21 -3.327 18.575 -18.961
307 HB2 GLU 21 1HB GLU 21 -4.445 20.458 -19.922
308 HB3 GLU 21 2HB GLU 21 -5.018 18.991 -20.715
309 HG2 GLU 21 1HG GLU 21 -7.086 19.074 -19.325
310 HG3 GLU 21 2HG GLU 21 -6.509 20.577 -18.591
311 HE2 GLU 21 HE2 GLU 21 -8.470 19.468 -20.599
312 H ARG 22 H ARG 22 -5.526 18.090 -16.385
313 HA ARG 22 HA ARG 22 -5.340 20.750 -15.275
314 HB2 ARG 22 1HB ARG 22 -6.591 19.993 -13.536
315 HB3 ARG 22 2HB ARG 22 -7.041 18.830 -14.783
316 HG2 ARG 22 1HG ARG 22 -5.264 17.284 -13.793
317 HG3 ARG 22 2HG ARG 22 -5.137 18.446 -12.457
318 HD2 ARG 22 1HD ARG 22 -6.646 16.877 -11.678
319 HD3 ARG 22 2HD ARG 22 -7.680 18.201 -12.266
320 HE ARG 22 HE ARG 22 -7.243 16.424 -14.409
321 HH11 ARG 22 1HH1 ARG 22 -8.880 16.313 -11.274
322 HH12 ARG 22 2HH1 ARG 22 -9.992 15.075 -11.795
323 HH21 ARG 22 1HH2 ARG 22 -8.685 14.852 -14.993
324 HH22 ARG 22 2HH2 ARG 22 -9.886 14.263 -13.871
325 H GLY 23 H GLY 23 -3.107 18.214 -15.585
326 HA2 GLY 23 1HA GLY 23 -0.851 18.298 -14.890
327 HA3 GLY 23 2HA GLY 23 -1.263 19.532 -13.678
328 H PHE 24 H PHE 24 0.291 17.499 -12.773
329 HA PHE 24 HA PHE 24 -1.411 16.180 -10.829
330 HB2 PHE 24 1HB PHE 24 -0.946 13.906 -11.455
331 HB3 PHE 24 2HB PHE 24 -1.719 14.694 -12.824
332 HD1 PHE 24 HD1 PHE 24 -0.223 15.493 -14.746
333 HD2 PHE 24 HD2 PHE 24 1.110 12.855 -11.634
334 HE1 PHE 24 HE1 PHE 24 1.674 14.780 -16.163
335 HE2 PHE 24 HE2 PHE 24 2.984 12.108 -13.048
336 HZ PHE 24 HZ PHE 24 3.283 13.082 -15.330
337 H PHE 25 H PHE 25 0.077 14.588 -9.544
338 HA PHE 25 HA PHE 25 2.906 15.515 -9.593
339 HB2 PHE 25 1HB PHE 25 2.914 15.513 -7.133
340 HB3 PHE 25 2HB PHE 25 1.766 16.700 -7.759
341 HD1 PHE 25 HD2 PHE 25 -0.669 16.364 -7.516
342 HD2 PHE 25 HD1 PHE 25 2.154 13.531 -5.921
343 HE1 PHE 25 HE2 PHE 25 -2.477 15.340 -6.148
344 HE2 PHE 25 HE1 PHE 25 0.353 12.509 -4.541
345 HZ PHE 25 HZ PHE 25 -1.966 13.407 -4.653
346 H TYR 26 H TYR 26 4.285 13.869 -8.390
347 HA TYR 26 HA TYR 26 3.131 11.145 -8.324
348 HB2 TYR 26 1HB TYR 26 3.859 11.404 -10.654
349 HB3 TYR 26 2HB TYR 26 5.437 11.997 -10.122
350 HD1 TYR 26 HD1 TYR 26 3.190 8.997 -9.673
351 HD2 TYR 26 HD2 TYR 26 7.219 10.468 -9.982
352 HE1 TYR 26 HE1 TYR 26 4.050 6.665 -9.585
353 HE2 TYR 26 HE2 TYR 26 8.071 8.126 -9.917
354 HH TYR 26 HH TYR 26 7.551 5.935 -9.686
355 H THR 27 H THR 27 4.404 9.732 -7.046
356 HA THR 27 HA THR 27 6.442 11.120 -5.375
357 HB THR 27 HB THR 27 5.876 9.177 -3.770
358 HG1 THR 27 HG1 THR 27 3.562 8.570 -4.253
359 HG21 THR 27 1HG2 THR 27 3.911 10.348 -2.899
360 HG22 THR 27 2HG2 THR 27 3.652 11.154 -4.463
361 HG23 THR 27 3HG2 THR 27 5.088 11.543 -3.483
362 HA PRO 28 HA PRO 28 8.885 7.985 -7.626
363 HB2 PRO 28 1HB PRO 28 11.217 9.344 -7.848
364 HB3 PRO 28 2HB PRO 28 9.803 9.763 -8.872
365 HG2 PRO 28 1HG PRO 28 10.708 11.026 -6.294
366 HG3 PRO 28 2HG PRO 28 10.349 11.812 -7.865
367 HD2 PRO 28 1HD PRO 28 8.519 11.678 -5.861
368 HD3 PRO 28 2HD PRO 28 8.043 11.564 -7.592
369 H LYS 29 H LYS 29 11.131 6.997 -7.077
370 HA LYS 29 HA LYS 29 12.107 7.477 -4.371
371 HB2 LYS 29 1HB LYS 29 12.040 5.123 -3.768
372 HB3 LYS 29 2HB LYS 29 10.394 5.716 -3.972
373 HG2 LYS 29 1HG LYS 29 10.209 4.618 -6.142
374 HG3 LYS 29 2HG LYS 29 11.908 4.135 -6.097
375 HD2 LYS 29 1HD LYS 29 9.831 3.214 -4.073
376 HD3 LYS 29 2HD LYS 29 10.282 2.303 -5.525
377 HE2 LYS 29 1HE LYS 29 12.150 3.053 -3.226
378 HE3 LYS 29 2HE LYS 29 11.487 1.443 -3.553
379 HZ1 LYS 29 3HZ LYS 29 12.709 1.473 -5.674
380 HZ2 LYS 29 1HZ LYS 29 13.729 1.620 -4.386
381 HZ3 LYS 29 2HZ LYS 29 13.367 2.943 -5.296
382 H THR 30 H THR 30 14.274 6.527 -4.252
383 HA THR 30 HA THR 30 15.496 6.267 -6.941
384 HB THR 30 HB THR 30 17.622 6.542 -5.476
385 HG1 THR 30 HG1 THR 30 17.075 7.389 -3.366
386 HG21 THR 30 1HG2 THR 30 15.404 8.708 -5.396
387 HG22 THR 30 2HG2 THR 30 16.570 8.475 -6.707
388 HG23 THR 30 3HG2 THR 30 17.133 9.004 -5.114
389 HXT THR 30 H02 THR 30 17.047 4.888 -7.143
Start of MODEL 20
1 H1 GLY 1 3H0 GLY 1 4.969 1.966 0.116
2 H2 GLY 1 2H0 GLY 1 6.038 1.576 -1.078
3 H3 GLY 1 1H0 GLY 1 6.505 2.567 0.157
4 HA2 GLY 1 1HA GLY 1 4.962 4.267 -0.545
5 HA3 GLY 1 2HA GLY 1 6.134 3.863 -1.816
6 H ILE 2 H ILE 2 3.329 4.984 -1.973
7 HA ILE 2 HA ILE 2 1.506 2.979 -2.751
8 HB ILE 2 HB ILE 2 0.958 5.335 -2.123
9 HG12 ILE 2 1HG1 ILE 2 -0.155 4.487 -4.811
10 HG13 ILE 2 2HG1 ILE 2 -0.649 3.828 -3.259
11 HG21 ILE 2 1HG2 ILE 2 2.778 6.451 -3.479
12 HG22 ILE 2 2HG2 ILE 2 1.828 6.129 -4.940
13 HG23 ILE 2 3HG2 ILE 2 1.180 7.190 -3.681
14 HD11 ILE 2 3HD1 ILE 2 -1.416 6.143 -2.587
15 HD12 ILE 2 1HD1 ILE 2 -1.056 6.685 -4.247
16 HD13 ILE 2 2HD1 ILE 2 -2.298 5.451 -3.966
17 H VAL 3 H VAL 3 4.068 4.487 -4.648
18 HA VAL 3 HA VAL 3 3.236 3.888 -7.258
19 HB VAL 3 HB VAL 3 5.165 5.240 -7.065
20 HG11 VAL 3 1HG1 VAL 3 5.831 4.786 -4.777
21 HG12 VAL 3 2HG1 VAL 3 6.369 3.137 -5.205
22 HG13 VAL 3 3HG1 VAL 3 7.245 4.560 -5.815
23 HG21 VAL 3 3HG2 VAL 3 5.446 3.509 -8.871
24 HG22 VAL 3 1HG2 VAL 3 6.980 4.150 -8.249
25 HG23 VAL 3 2HG2 VAL 3 6.421 2.542 -7.744
26 H GLU 4 H GLU 4 4.374 1.649 -4.805
27 HA GLU 4 HA GLU 4 5.352 -0.382 -6.505
28 HB2 GLU 4 1HB GLU 4 5.719 -0.095 -4.018
29 HB3 GLU 4 2HB GLU 4 4.085 -0.717 -3.765
30 HG2 GLU 4 1HG GLU 4 5.640 -2.512 -3.454
31 HG3 GLU 4 2HG GLU 4 4.756 -2.806 -4.954
32 HE2 GLU 4 HE2 GLU 4 6.246 -4.010 -5.677
33 H GLN 5 H GLN 5 2.103 0.431 -5.380
34 HA GLN 5 HA GLN 5 0.794 -2.013 -5.941
35 HB2 GLN 5 1HB GLN 5 -0.118 -0.011 -4.734
36 HB3 GLN 5 2HB GLN 5 -0.238 0.825 -6.282
37 HG2 GLN 5 1HG GLN 5 -1.844 -0.864 -7.079
38 HG3 GLN 5 2HG GLN 5 -1.730 -1.699 -5.519
39 HE21 GLN 5 2HE2 GLN 5 -4.142 -0.729 -6.573
40 HE22 GLN 5 1HE2 GLN 5 -4.704 0.572 -5.544
41 H CYS 6 H CYS 6 1.658 0.742 -8.054
42 HA CYS 6 HA CYS 6 0.323 -0.626 -10.331
43 HB2 CYS 6 1HB CYS 6 1.795 2.020 -10.173
44 HB3 CYS 6 2HB CYS 6 1.012 1.376 -11.618
45 H CYS 7 H CYS 7 3.481 -0.279 -8.964
46 HA CYS 7 HA CYS 7 4.928 -0.851 -11.388
47 HB2 CYS 7 1HB CYS 7 5.799 0.168 -9.187
48 HB3 CYS 7 2HB CYS 7 5.797 -1.477 -8.543
49 H THR 8 H THR 8 3.692 -2.830 -8.663
50 HA THR 8 HA THR 8 4.744 -5.252 -9.932
51 HB THR 8 HB THR 8 4.754 -4.785 -7.408
52 HG1 THR 8 HG1 THR 8 3.735 -7.178 -8.557
53 HG21 THR 8 1HG2 THR 8 2.269 -4.148 -7.332
54 HG22 THR 8 2HG2 THR 8 2.820 -5.318 -6.116
55 HG23 THR 8 3HG2 THR 8 1.923 -5.881 -7.540
56 H SER 9 H SER 9 1.678 -3.574 -10.001
57 HA SER 9 HA SER 9 0.590 -5.933 -11.421
58 HB2 SER 9 1HB SER 9 -0.078 -5.953 -8.929
59 HB3 SER 9 2HB SER 9 -1.059 -4.514 -9.282
60 HG SER 9 HG SER 9 -2.160 -6.600 -9.453
61 H ILE 10 H ILE 10 -1.922 -5.202 -11.998
62 HA ILE 10 HA ILE 10 -1.287 -3.115 -13.985
63 HB ILE 10 HB ILE 10 -3.818 -4.793 -13.632
64 HG12 ILE 10 1HG1 ILE 10 -1.834 -6.210 -14.059
65 HG13 ILE 10 2HG1 ILE 10 -3.023 -6.264 -15.354
66 HG21 ILE 10 1HG2 ILE 10 -4.317 -2.800 -14.928
67 HG22 ILE 10 2HG2 ILE 10 -2.869 -3.031 -15.940
68 HG23 ILE 10 3HG2 ILE 10 -4.234 -4.173 -16.041
69 HD11 ILE 10 3HD1 ILE 10 -0.662 -6.210 -16.149
70 HD12 ILE 10 1HD1 ILE 10 -1.650 -4.882 -16.780
71 HD13 ILE 10 2HD1 ILE 10 -0.501 -4.580 -15.465
72 H CYS 11 H CYS 11 -1.916 -1.051 -13.842
73 HA CYS 11 HA CYS 11 -4.064 -0.390 -11.875
74 HB2 CYS 11 1HB CYS 11 -1.591 1.092 -12.738
75 HB3 CYS 11 2HB CYS 11 -3.009 1.966 -12.147
76 H SER 12 H SER 12 -5.878 -0.368 -12.989
77 HA SER 12 HA SER 12 -6.182 0.672 -15.665
78 HB2 SER 12 1HB SER 12 -8.229 0.479 -13.413
79 HB3 SER 12 2HB SER 12 -8.571 0.584 -15.156
80 HG SER 12 HG SER 12 -8.664 -1.578 -14.354
81 H LEU 13 H LEU 13 -7.514 2.729 -16.049
82 HA LEU 13 HA LEU 13 -6.182 4.949 -15.000
83 HB2 LEU 13 1HB LEU 13 -7.814 6.305 -16.073
84 HB3 LEU 13 2HB LEU 13 -7.476 4.911 -17.084
85 HG LEU 13 HG LEU 13 -9.706 4.043 -15.742
86 HD11 LEU 13 1HD1 LEU 13 -10.056 6.206 -14.626
87 HD12 LEU 13 2HD1 LEU 13 -11.335 5.916 -15.817
88 HD13 LEU 13 3HD1 LEU 13 -10.017 7.045 -16.196
89 HD21 LEU 13 3HD2 LEU 13 -9.605 5.663 -18.315
90 HD22 LEU 13 1HD2 LEU 13 -10.910 4.557 -17.822
91 HD23 LEU 13 2HD2 LEU 13 -9.289 3.916 -18.160
92 H TYR 14 H TYR 14 -9.048 3.341 -13.672
93 HA TYR 14 HA TYR 14 -9.808 5.417 -11.876
94 HB2 TYR 14 1HB TYR 14 -10.099 2.444 -11.403
95 HB3 TYR 14 2HB TYR 14 -11.153 3.742 -10.836
96 HD1 TYR 14 HD1 TYR 14 -12.327 5.166 -12.766
97 HD2 TYR 14 HD2 TYR 14 -10.652 1.239 -13.335
98 HE1 TYR 14 HE1 TYR 14 -13.710 4.861 -14.827
99 HE2 TYR 14 HE2 TYR 14 -12.022 0.956 -15.401
100 HH TYR 14 HH TYR 14 -13.617 1.868 -16.764
101 H GLN 15 H GLN 15 -7.507 2.714 -11.589
102 HA GLN 15 HA GLN 15 -6.984 3.126 -8.778
103 HB2 GLN 15 1HB GLN 15 -5.100 1.899 -10.817
104 HB3 GLN 15 2HB GLN 15 -5.138 1.614 -9.076
105 HG2 GLN 15 1HG GLN 15 -7.111 0.675 -11.178
106 HG3 GLN 15 2HG GLN 15 -6.068 -0.313 -10.154
107 HE21 GLN 15 2HE2 GLN 15 -6.506 -0.036 -7.722
108 HE22 GLN 15 1HE2 GLN 15 -8.189 0.057 -7.263
109 H LEU 16 H LEU 16 -5.624 4.260 -11.831
110 HA LEU 16 HA LEU 16 -3.369 5.626 -10.741
111 HB2 LEU 16 1HB LEU 16 -4.922 6.023 -13.299
112 HB3 LEU 16 2HB LEU 16 -3.454 6.911 -12.910
113 HG LEU 16 HG LEU 16 -3.611 3.881 -13.091
114 HD11 LEU 16 1HD1 LEU 16 -4.040 4.867 -15.275
115 HD12 LEU 16 2HD1 LEU 16 -2.428 4.137 -15.234
116 HD13 LEU 16 3HD1 LEU 16 -2.604 5.905 -15.115
117 HD21 LEU 16 3HD2 LEU 16 -1.244 5.793 -12.915
118 HD22 LEU 16 1HD2 LEU 16 -1.125 4.047 -13.228
119 HD23 LEU 16 2HD2 LEU 16 -1.757 4.622 -11.678
120 H GLU 17 H GLU 17 -6.774 6.606 -11.026
121 HA GLU 17 HA GLU 17 -6.382 9.398 -10.623
122 HB2 GLU 17 1HB GLU 17 -8.656 7.540 -9.900
123 HB3 GLU 17 2HB GLU 17 -8.725 9.279 -9.610
124 HG2 GLU 17 1HG GLU 17 -8.462 9.748 -11.970
125 HG3 GLU 17 2HG GLU 17 -8.226 8.042 -12.324
126 HE2 GLU 17 HE2 GLU 17 -10.085 10.002 -13.055
127 H ASN 18 H ASN 18 -5.917 6.791 -8.344
128 HA ASN 18 HA ASN 18 -6.288 8.344 -5.932
129 HB2 ASN 18 1HB ASN 18 -4.641 5.863 -6.527
130 HB3 ASN 18 2HB ASN 18 -4.756 6.593 -4.922
131 HD21 ASN 18 2HD2 ASN 18 -6.245 4.559 -7.214
132 HD22 ASN 18 1HD2 ASN 18 -7.710 4.245 -6.302
133 H TYR 19 H TYR 19 -3.726 8.128 -8.291
134 HA TYR 19 HA TYR 19 -1.661 9.304 -6.541
135 HB2 TYR 19 1HB TYR 19 -1.744 8.623 -9.475
136 HB3 TYR 19 2HB TYR 19 -0.308 9.167 -8.630
137 HD1 TYR 19 HD1 TYR 19 -2.830 6.407 -8.820
138 HD2 TYR 19 HD2 TYR 19 1.046 7.610 -7.422
139 HE1 TYR 19 HE1 TYR 19 -2.339 4.073 -8.208
140 HE2 TYR 19 HE2 TYR 19 1.532 5.253 -6.825
141 HH TYR 19 HH TYR 19 0.609 3.100 -6.535
142 H CYS 20 H CYS 20 -4.319 10.480 -8.109
143 HA CYS 20 HA CYS 20 -3.081 12.581 -9.709
144 HB2 CYS 20 1HB CYS 20 -5.195 11.130 -10.165
145 HB3 CYS 20 2HB CYS 20 -6.022 12.291 -9.126
146 H ASN 21 H ASN 21 -3.466 14.784 -9.559
147 HA ASN 21 HA ASN 21 -3.907 15.838 -6.829
148 HB2 ASN 21 1HB ASN 21 -2.000 16.759 -8.155
149 HB3 ASN 21 2HB ASN 21 -3.123 17.224 -9.437
150 HD21 ASN 21 2HD2 ASN 21 -3.147 19.369 -9.438
151 HD22 ASN 21 1HD2 ASN 21 -3.522 20.336 -8.024
152 HXT ASN 21 H02 ASN 21 -5.269 17.207 -6.432
153 H1 PHE 1 3H0 PHE 1 -8.308 3.005 -22.941
154 H2 PHE 1 2H0 PHE 1 -7.519 2.153 -24.113
155 H3 PHE 1 1H0 PHE 1 -8.501 1.369 -23.047
156 HA PHE 1 HA PHE 1 -5.980 2.742 -22.384
157 HB2 PHE 1 1HB PHE 1 -7.970 2.702 -20.695
158 HB3 PHE 1 2HB PHE 1 -7.619 0.976 -20.543
159 HD1 PHE 1 HD2 PHE 1 -6.249 4.413 -20.055
160 HD2 PHE 1 HD1 PHE 1 -5.726 0.211 -19.237
161 HE1 PHE 1 HE2 PHE 1 -4.473 4.961 -18.402
162 HE2 PHE 1 HE1 PHE 1 -3.946 0.759 -17.581
163 HZ PHE 1 HZ PHE 1 -3.306 3.135 -17.176
164 H VAL 2 H VAL 2 -4.246 1.201 -21.729
165 HA VAL 2 HA VAL 2 -4.679 -1.538 -22.873
166 HB VAL 2 HB VAL 2 -2.148 0.189 -23.052
167 HG11 VAL 2 1HG1 VAL 2 -1.257 -1.673 -24.451
168 HG12 VAL 2 2HG1 VAL 2 -1.601 -2.202 -22.795
169 HG13 VAL 2 3HG1 VAL 2 -2.722 -2.621 -24.112
170 HG21 VAL 2 3HG2 VAL 2 -2.545 0.083 -25.527
171 HG22 VAL 2 1HG2 VAL 2 -4.120 -0.684 -25.216
172 HG23 VAL 2 2HG2 VAL 2 -3.807 0.980 -24.664
173 H ASN 3 H ASN 3 -4.179 -3.128 -21.392
174 HA ASN 3 HA ASN 3 -3.379 -2.249 -18.733
175 HB2 ASN 3 1HB ASN 3 -3.779 -5.015 -19.915
176 HB3 ASN 3 2HB ASN 3 -3.287 -4.710 -18.242
177 HD21 ASN 3 2HD2 ASN 3 -5.700 -6.039 -19.164
178 HD22 ASN 3 1HD2 ASN 3 -7.043 -5.089 -18.575
179 H GLN 4 H GLN 4 -1.452 -2.050 -17.967
180 HA GLN 4 HA GLN 4 0.649 -3.963 -18.570
181 HB2 GLN 4 1HB GLN 4 2.270 -2.060 -19.154
182 HB3 GLN 4 2HB GLN 4 1.167 -2.559 -20.442
183 HG2 GLN 4 1HG GLN 4 -0.298 -0.651 -19.950
184 HG3 GLN 4 2HG GLN 4 0.785 -0.138 -18.662
185 HE21 GLN 4 2HE2 GLN 4 -0.013 0.160 -21.900
186 HE22 GLN 4 1HE2 GLN 4 1.435 0.975 -22.445
187 H HIS 5 H HIS 5 2.185 -3.802 -16.925
188 HA HIS 5 HA HIS 5 1.406 -2.456 -14.463
189 HB2 HIS 5 1HB HIS 5 4.124 -3.559 -15.279
190 HB3 HIS 5 2HB HIS 5 3.606 -3.139 -13.642
191 HD1 HIS 5 HD1 HIS 5 0.951 -4.495 -13.339
192 HD2 HIS 5 HD2 HIS 5 4.114 -6.283 -15.323
193 HE1 HIS 5 HE1 HIS 5 0.519 -7.021 -13.308
194 HE2 HIS 5 HE2 HIS 5 2.473 -8.082 -14.505
195 H LEU 6 H LEU 6 2.151 -0.506 -13.639
196 HA LEU 6 HA LEU 6 3.574 1.237 -15.619
197 HB2 LEU 6 1HB LEU 6 1.305 1.746 -13.696
198 HB3 LEU 6 2HB LEU 6 2.343 3.033 -14.218
199 HG LEU 6 HG LEU 6 0.777 3.447 -15.678
200 HD11 LEU 6 1HD1 LEU 6 1.899 1.044 -17.160
201 HD12 LEU 6 2HD1 LEU 6 2.411 2.740 -17.293
202 HD13 LEU 6 3HD1 LEU 6 0.815 2.259 -17.863
203 HD21 LEU 6 3HD2 LEU 6 -0.974 1.847 -16.388
204 HD22 LEU 6 1HD2 LEU 6 -0.824 2.012 -14.633
205 HD23 LEU 6 2HD2 LEU 6 -0.148 0.586 -15.449
206 H CYS 7 H CYS 7 5.609 1.335 -14.947
207 HA CYS 7 HA CYS 7 6.078 2.304 -12.176
208 HB2 CYS 7 1HB CYS 7 6.447 -0.276 -12.621
209 HB3 CYS 7 2HB CYS 7 7.929 0.267 -13.412
210 H GLY 8 H GLY 8 8.038 3.579 -11.998
211 HA2 GLY 8 1HA GLY 8 9.628 5.053 -12.809
212 HA3 GLY 8 2HA GLY 8 9.855 3.919 -14.152
213 H SER 9 H SER 9 9.915 5.191 -15.916
214 HA SER 9 HA SER 9 8.428 7.571 -16.298
215 HB2 SER 9 1HB SER 9 9.017 7.235 -18.706
216 HB3 SER 9 2HB SER 9 10.401 7.067 -17.604
217 HG SER 9 HG SER 9 10.338 5.374 -19.131
218 H HIS 10 H HIS 10 7.520 4.187 -16.870
219 HA HIS 10 HA HIS 10 5.319 4.733 -18.632
220 HB2 HIS 10 1HB HIS 10 6.021 2.468 -16.771
221 HB3 HIS 10 2HB HIS 10 4.435 2.537 -17.510
222 HD1 HIS 10 HD1 HIS 10 4.214 1.243 -19.614
223 HD2 HIS 10 HD2 HIS 10 8.113 2.719 -19.044
224 HE1 HIS 10 HE1 HIS 10 5.606 0.410 -21.543
225 HE2 HIS 10 HE2 HIS 10 7.960 1.301 -21.206
226 H LEU 11 H LEU 11 5.628 4.817 -15.085
227 HA LEU 11 HA LEU 11 2.794 4.904 -14.624
228 HB2 LEU 11 1HB LEU 11 4.438 4.257 -12.894
229 HB3 LEU 11 2HB LEU 11 5.096 5.891 -12.908
230 HG LEU 11 HG LEU 11 2.981 6.775 -12.026
231 HD11 LEU 11 1HD1 LEU 11 1.267 5.214 -11.124
232 HD12 LEU 11 2HD1 LEU 11 2.098 3.867 -11.936
233 HD13 LEU 11 3HD1 LEU 11 1.360 5.174 -12.892
234 HD21 LEU 11 3HD2 LEU 11 3.192 5.851 -9.780
235 HD22 LEU 11 1HD2 LEU 11 4.789 6.065 -10.523
236 HD23 LEU 11 2HD2 LEU 11 4.066 4.439 -10.425
237 H VAL 12 H VAL 12 5.281 7.493 -14.823
238 HA VAL 12 HA VAL 12 3.313 9.506 -14.265
239 HB VAL 12 HB VAL 12 5.031 11.153 -14.924
240 HG11 VAL 12 1HG1 VAL 12 5.025 10.059 -12.658
241 HG12 VAL 12 2HG1 VAL 12 6.233 8.898 -13.253
242 HG13 VAL 12 3HG1 VAL 12 6.626 10.630 -13.169
243 HG21 VAL 12 3HG2 VAL 12 6.732 8.755 -15.696
244 HG22 VAL 12 1HG2 VAL 12 6.074 9.968 -16.819
245 HG23 VAL 12 2HG2 VAL 12 7.280 10.439 -15.610
246 H GLU 13 H GLU 13 4.477 8.047 -17.300
247 HA GLU 13 HA GLU 13 3.238 9.974 -19.024
248 HB2 GLU 13 1HB GLU 13 4.008 7.067 -19.366
249 HB3 GLU 13 2HB GLU 13 3.219 7.987 -20.656
250 HG2 GLU 13 1HG GLU 13 5.844 8.749 -19.337
251 HG3 GLU 13 2HG GLU 13 5.678 7.941 -20.903
252 HE2 GLU 13 HE2 GLU 13 5.576 11.755 -20.736
253 H ALA 14 H ALA 14 2.032 6.948 -17.532
254 HA ALA 14 HA ALA 14 -0.514 7.051 -18.848
255 HB1 ALA 14 3HB ALA 14 0.254 5.851 -16.159
256 HB2 ALA 14 1HB ALA 14 -1.190 5.453 -17.126
257 HB3 ALA 14 2HB ALA 14 0.430 5.042 -17.735
258 H LEU 15 H LEU 15 0.753 8.372 -15.776
259 HA LEU 15 HA LEU 15 -1.775 9.269 -14.814
260 HB2 LEU 15 1HB LEU 15 1.090 9.944 -14.199
261 HB3 LEU 15 2HB LEU 15 -0.222 10.862 -13.468
262 HG LEU 15 HG LEU 15 -0.050 7.856 -13.244
263 HD11 LEU 15 1HD1 LEU 15 0.886 9.909 -11.211
264 HD12 LEU 15 2HD1 LEU 15 1.961 8.922 -12.228
265 HD13 LEU 15 3HD1 LEU 15 0.899 8.142 -11.036
266 HD21 LEU 15 3HD2 LEU 15 -2.256 9.009 -12.883
267 HD22 LEU 15 1HD2 LEU 15 -1.495 9.934 -11.575
268 HD23 LEU 15 2HD2 LEU 15 -1.634 8.161 -11.469
269 H TYR 16 H TYR 16 0.567 10.844 -16.981
270 HA TYR 16 HA TYR 16 -0.562 13.471 -16.815
271 HB2 TYR 16 1HB TYR 16 0.875 11.980 -19.031
272 HB3 TYR 16 2HB TYR 16 0.204 13.590 -19.295
273 HD1 TYR 16 HD1 TYR 16 0.880 15.419 -17.444
274 HD2 TYR 16 HD2 TYR 16 3.131 11.868 -18.340
275 HE1 TYR 16 HE1 TYR 16 2.929 16.461 -16.468
276 HE2 TYR 16 HE2 TYR 16 5.171 12.913 -17.364
277 HH TYR 16 HH TYR 16 5.151 16.196 -15.981
278 H LEU 17 H LEU 17 -1.524 10.578 -18.665
279 HA LEU 17 HA LEU 17 -3.541 11.978 -20.189
280 HB2 LEU 17 1HB LEU 17 -3.361 9.048 -19.444
281 HB3 LEU 17 2HB LEU 17 -4.395 9.751 -20.672
282 HG LEU 17 HG LEU 17 -1.361 9.781 -20.784
283 HD11 LEU 17 1HD1 LEU 17 -3.334 7.885 -22.118
284 HD12 LEU 17 2HD1 LEU 17 -2.234 7.475 -20.778
285 HD13 LEU 17 3HD1 LEU 17 -1.572 7.913 -22.366
286 HD21 LEU 17 3HD2 LEU 17 -3.477 10.328 -22.905
287 HD22 LEU 17 1HD2 LEU 17 -1.723 10.248 -23.190
288 HD23 LEU 17 2HD2 LEU 17 -2.395 11.528 -22.161
289 H VAL 18 H VAL 18 -3.621 10.013 -17.207
290 HA VAL 18 HA VAL 18 -6.490 9.967 -17.030
291 HB VAL 18 HB VAL 18 -4.324 9.520 -14.913
292 HG11 VAL 18 1HG1 VAL 18 -7.306 8.886 -14.804
293 HG12 VAL 18 2HG1 VAL 18 -6.092 8.296 -13.642
294 HG13 VAL 18 3HG1 VAL 18 -6.421 10.033 -13.768
295 HG21 VAL 18 3HG2 VAL 18 -5.946 7.617 -16.646
296 HG22 VAL 18 1HG2 VAL 18 -4.206 7.933 -16.757
297 HG23 VAL 18 2HG2 VAL 18 -4.862 7.123 -15.330
298 H CYS 19 H CYS 19 -3.986 12.063 -15.620
299 HA CYS 19 HA CYS 19 -6.051 13.557 -14.152
300 HB2 CYS 19 1HB CYS 19 -3.052 13.864 -14.388
301 HB3 CYS 19 2HB CYS 19 -4.093 14.878 -13.369
302 H GLY 20 H GLY 20 -4.331 13.860 -17.222
303 HA2 GLY 20 1HA GLY 20 -4.404 15.577 -18.767
304 HA3 GLY 20 2HA GLY 20 -5.873 16.166 -17.954
305 H GLU 21 H GLU 21 -5.402 18.327 -17.908
306 HA GLU 21 HA GLU 21 -2.832 19.384 -17.176
307 HB2 GLU 21 1HB GLU 21 -5.578 20.683 -17.251
308 HB3 GLU 21 2HB GLU 21 -4.049 21.551 -17.086
309 HG2 GLU 21 1HG GLU 21 -4.889 19.874 -19.482
310 HG3 GLU 21 2HG GLU 21 -4.870 21.640 -19.396
311 HE2 GLU 21 HE2 GLU 21 -3.492 19.472 -20.775
312 H ARG 22 H ARG 22 -5.126 17.949 -15.109
313 HA ARG 22 HA ARG 22 -4.994 19.823 -12.901
314 HB2 ARG 22 1HB ARG 22 -5.567 16.840 -12.970
315 HB3 ARG 22 2HB ARG 22 -5.743 17.860 -11.542
316 HG2 ARG 22 1HG ARG 22 -7.457 19.190 -12.632
317 HG3 ARG 22 2HG ARG 22 -7.273 18.259 -14.133
318 HD2 ARG 22 1HD ARG 22 -8.005 17.000 -11.475
319 HD3 ARG 22 2HD ARG 22 -9.210 17.597 -12.632
320 HE ARG 22 HE ARG 22 -7.452 15.881 -14.039
321 HH11 ARG 22 1HH1 ARG 22 -9.868 15.619 -11.477
322 HH12 ARG 22 2HH1 ARG 22 -10.307 13.993 -11.918
323 HH21 ARG 22 1HH2 ARG 22 -8.061 13.781 -14.546
324 HH22 ARG 22 2HH2 ARG 22 -9.300 12.980 -13.623
325 H GLY 23 H GLY 23 -2.838 17.358 -14.100
326 HA2 GLY 23 1HA GLY 23 -0.661 16.921 -13.397
327 HA3 GLY 23 2HA GLY 23 -0.873 18.061 -12.055
328 H PHE 24 H PHE 24 0.446 15.961 -11.298
329 HA PHE 24 HA PHE 24 -1.372 14.428 -9.585
330 HB2 PHE 24 1HB PHE 24 -0.530 12.253 -10.399
331 HB3 PHE 24 2HB PHE 24 -1.449 13.099 -11.634
332 HD1 PHE 24 HD1 PHE 24 1.933 12.105 -10.560
333 HD2 PHE 24 HD2 PHE 24 -0.461 13.817 -13.682
334 HE1 PHE 24 HE1 PHE 24 3.818 11.869 -12.110
335 HE2 PHE 24 HE2 PHE 24 1.425 13.564 -15.263
336 HZ PHE 24 HZ PHE 24 3.586 12.612 -14.496
337 H PHE 25 H PHE 25 0.265 12.717 -8.437
338 HA PHE 25 HA PHE 25 2.830 14.177 -7.972
339 HB2 PHE 25 1HB PHE 25 2.590 13.727 -5.556
340 HB3 PHE 25 2HB PHE 25 1.335 14.807 -6.170
341 HD1 PHE 25 HD1 PHE 25 2.025 11.351 -4.967
342 HD2 PHE 25 HD2 PHE 25 -0.985 14.197 -6.149
343 HE1 PHE 25 HE1 PHE 25 0.256 9.873 -4.019
344 HE2 PHE 25 HE2 PHE 25 -2.756 12.728 -5.226
345 HZ PHE 25 HZ PHE 25 -2.136 10.563 -4.134
346 H TYR 26 H TYR 26 4.355 12.795 -6.688
347 HA TYR 26 HA TYR 26 4.072 9.890 -7.215
348 HB2 TYR 26 1HB TYR 26 5.187 10.852 -9.220
349 HB3 TYR 26 2HB TYR 26 6.379 11.642 -8.180
350 HD1 TYR 26 HD1 TYR 26 5.010 8.234 -9.012
351 HD2 TYR 26 HD2 TYR 26 8.401 10.526 -7.680
352 HE1 TYR 26 HE1 TYR 26 6.429 6.191 -9.066
353 HE2 TYR 26 HE2 TYR 26 9.809 8.468 -7.739
354 HH TYR 26 HH TYR 26 9.880 6.223 -8.182
355 H THR 27 H THR 27 5.693 8.731 -5.876
356 HA THR 27 HA THR 27 6.581 10.391 -3.554
357 HB THR 27 HB THR 27 6.432 8.292 -2.218
358 HG1 THR 27 HG1 THR 27 6.612 6.913 -4.118
359 HG21 THR 27 1HG2 THR 27 3.821 8.917 -3.672
360 HG22 THR 27 2HG2 THR 27 4.503 9.912 -2.363
361 HG23 THR 27 3HG2 THR 27 4.009 8.238 -2.040
362 HA PRO 28 HA PRO 28 10.466 8.720 -5.377
363 HB2 PRO 28 1HB PRO 28 11.961 10.971 -5.331
364 HB3 PRO 28 2HB PRO 28 10.662 10.772 -6.553
365 HG2 PRO 28 1HG PRO 28 10.573 12.215 -3.912
366 HG3 PRO 28 2HG PRO 28 10.118 12.816 -5.538
367 HD2 PRO 28 1HD PRO 28 8.295 11.815 -3.767
368 HD3 PRO 28 2HD PRO 28 8.119 11.628 -5.546
369 H LYS 29 H LYS 29 12.859 9.127 -4.380
370 HA LYS 29 HA LYS 29 12.618 9.342 -1.398
371 HB2 LYS 29 1HB LYS 29 14.590 7.642 -2.979
372 HB3 LYS 29 2HB LYS 29 14.572 7.862 -1.225
373 HG2 LYS 29 1HG LYS 29 12.154 6.902 -1.355
374 HG3 LYS 29 2HG LYS 29 12.638 6.324 -2.959
375 HD2 LYS 29 1HD LYS 29 14.044 5.712 -0.315
376 HD3 LYS 29 2HD LYS 29 12.984 4.601 -1.191
377 HE2 LYS 29 1HE LYS 29 15.652 5.691 -2.213
378 HE3 LYS 29 2HE LYS 29 15.395 4.085 -1.517
379 HZ1 LYS 29 3HZ LYS 29 15.402 4.019 -3.924
380 HZ2 LYS 29 1HZ LYS 29 14.139 5.078 -4.009
381 HZ3 LYS 29 2HZ LYS 29 13.917 3.577 -3.357
382 H THR 30 H THR 30 13.158 11.508 -1.225
383 HA THR 30 HA THR 30 15.356 12.632 -2.796
384 HB THR 30 HB THR 30 14.872 14.643 -1.229
385 HG1 THR 30 HG1 THR 30 13.911 13.567 0.467
386 HG21 THR 30 1HG2 THR 30 13.817 14.413 -3.530
387 HG22 THR 30 2HG2 THR 30 12.727 15.177 -2.364
388 HG23 THR 30 3HG2 THR 30 12.485 13.484 -2.807
389 HXT THR 30 H02 THR 30 16.651 11.149 -2.152
Start of MODEL 21
1 H1 GLY 1 3H0 GLY 1 4.079 0.778 -0.122
2 H2 GLY 1 2H0 GLY 1 2.910 -0.029 -0.963
3 H3 GLY 1 1H0 GLY 1 4.355 0.315 -1.681
4 HA2 GLY 1 1HA GLY 1 2.384 2.303 -0.791
5 HA3 GLY 1 2HA GLY 1 3.925 2.654 -1.601
6 H ILE 2 H ILE 2 1.487 3.565 -2.655
7 HA ILE 2 HA ILE 2 0.210 1.777 -4.394
8 HB ILE 2 HB ILE 2 -0.643 3.989 -3.634
9 HG12 ILE 2 1HG1 ILE 2 -0.694 3.575 -6.638
10 HG13 ILE 2 2HG1 ILE 2 -1.636 2.650 -5.474
11 HG21 ILE 2 1HG2 ILE 2 -0.009 6.056 -4.822
12 HG22 ILE 2 2HG2 ILE 2 1.400 5.352 -4.015
13 HG23 ILE 2 3HG2 ILE 2 1.196 5.168 -5.769
14 HD11 ILE 2 3HD1 ILE 2 -1.892 5.632 -6.059
15 HD12 ILE 2 1HD1 ILE 2 -3.050 4.348 -6.461
16 HD13 ILE 2 2HD1 ILE 2 -2.766 4.778 -4.760
17 H VAL 3 H VAL 3 3.196 3.633 -5.012
18 HA VAL 3 HA VAL 3 3.234 3.102 -7.812
19 HB VAL 3 HB VAL 3 4.716 4.797 -7.125
20 HG11 VAL 3 1HG1 VAL 3 4.930 4.326 -4.751
21 HG12 VAL 3 2HG1 VAL 3 5.905 2.872 -5.083
22 HG13 VAL 3 3HG1 VAL 3 6.543 4.487 -5.455
23 HG21 VAL 3 3HG2 VAL 3 5.659 3.196 -8.852
24 HG22 VAL 3 1HG2 VAL 3 6.884 4.122 -7.951
25 HG23 VAL 3 2HG2 VAL 3 6.583 2.416 -7.547
26 H GLU 4 H GLU 4 4.370 1.133 -5.030
27 HA GLU 4 HA GLU 4 5.614 -0.862 -6.704
28 HB2 GLU 4 1HB GLU 4 4.451 -0.972 -3.902
29 HB3 GLU 4 2HB GLU 4 5.087 -2.400 -4.716
30 HG2 GLU 4 1HG GLU 4 6.837 -1.639 -3.405
31 HG3 GLU 4 2HG GLU 4 7.227 -1.143 -5.057
32 HE2 GLU 4 HE2 GLU 4 8.311 0.459 -4.701
33 H GLN 5 H GLN 5 2.340 -0.487 -5.317
34 HA GLN 5 HA GLN 5 1.342 -2.998 -6.178
35 HB2 GLN 5 1HB GLN 5 -0.053 -0.330 -5.760
36 HB3 GLN 5 2HB GLN 5 -0.898 -1.871 -5.968
37 HG2 GLN 5 1HG GLN 5 -0.254 -2.668 -3.874
38 HG3 GLN 5 2HG GLN 5 1.190 -1.653 -3.807
39 HE21 GLN 5 2HE2 GLN 5 -2.301 -0.955 -4.263
40 HE22 GLN 5 1HE2 GLN 5 -2.373 0.226 -2.979
41 H CYS 6 H CYS 6 1.483 0.164 -7.836
42 HA CYS 6 HA CYS 6 0.088 -0.837 -10.188
43 HB2 CYS 6 1HB CYS 6 1.499 1.694 -9.396
44 HB3 CYS 6 2HB CYS 6 1.157 1.389 -11.107
45 H CYS 7 H CYS 7 3.406 -0.893 -9.145
46 HA CYS 7 HA CYS 7 4.427 -1.228 -11.876
47 HB2 CYS 7 1HB CYS 7 5.749 -0.022 -10.232
48 HB3 CYS 7 2HB CYS 7 5.760 -1.429 -9.168
49 H THR 8 H THR 8 3.946 -3.245 -8.932
50 HA THR 8 HA THR 8 4.970 -5.591 -10.353
51 HB THR 8 HB THR 8 5.416 -5.143 -7.909
52 HG1 THR 8 HG1 THR 8 4.247 -7.560 -8.829
53 HG21 THR 8 1HG2 THR 8 3.830 -5.393 -6.262
54 HG22 THR 8 2HG2 THR 8 2.760 -6.391 -7.282
55 HG23 THR 8 3HG2 THR 8 2.837 -4.632 -7.517
56 H SER 9 H SER 9 1.877 -4.103 -10.037
57 HA SER 9 HA SER 9 0.764 -6.479 -11.395
58 HB2 SER 9 1HB SER 9 0.237 -6.601 -8.874
59 HB3 SER 9 2HB SER 9 -0.756 -5.146 -9.097
60 HG SER 9 HG SER 9 -1.856 -7.248 -9.287
61 H ILE 10 H ILE 10 -1.812 -5.709 -11.797
62 HA ILE 10 HA ILE 10 -1.219 -3.790 -13.897
63 HB ILE 10 HB ILE 10 -3.840 -5.127 -13.107
64 HG12 ILE 10 1HG1 ILE 10 -2.093 -6.715 -13.813
65 HG13 ILE 10 2HG1 ILE 10 -3.453 -6.661 -14.929
66 HG21 ILE 10 1HG2 ILE 10 -4.587 -4.490 -15.443
67 HG22 ILE 10 2HG2 ILE 10 -4.410 -3.123 -14.333
68 HG23 ILE 10 3HG2 ILE 10 -3.155 -3.434 -15.554
69 HD11 ILE 10 3HD1 ILE 10 -0.791 -5.265 -15.394
70 HD12 ILE 10 1HD1 ILE 10 -1.281 -6.818 -16.097
71 HD13 ILE 10 2HD1 ILE 10 -2.153 -5.338 -16.525
72 H CYS 11 H CYS 11 -1.316 -1.699 -13.816
73 HA CYS 11 HA CYS 11 -2.813 -0.390 -11.621
74 HB2 CYS 11 1HB CYS 11 -0.380 0.108 -12.320
75 HB3 CYS 11 2HB CYS 11 -1.074 0.878 -13.737
76 H SER 12 H SER 12 -4.959 -0.290 -12.189
77 HA SER 12 HA SER 12 -5.770 0.200 -14.960
78 HB2 SER 12 1HB SER 12 -8.046 0.172 -14.029
79 HB3 SER 12 2HB SER 12 -7.114 -1.218 -13.432
80 HG SER 12 HG SER 12 -8.034 -0.382 -11.650
81 H LEU 13 H LEU 13 -7.286 2.090 -15.419
82 HA LEU 13 HA LEU 13 -5.986 4.535 -14.837
83 HB2 LEU 13 1HB LEU 13 -7.771 5.610 -15.973
84 HB3 LEU 13 2HB LEU 13 -7.429 4.097 -16.795
85 HG LEU 13 HG LEU 13 -9.478 3.305 -15.176
86 HD11 LEU 13 1HD1 LEU 13 -11.229 5.065 -15.311
87 HD12 LEU 13 2HD1 LEU 13 -10.015 6.214 -15.917
88 HD13 LEU 13 3HD1 LEU 13 -9.880 5.548 -14.271
89 HD21 LEU 13 3HD2 LEU 13 -10.901 3.523 -17.173
90 HD22 LEU 13 1HD2 LEU 13 -9.287 2.909 -17.580
91 HD23 LEU 13 2HD2 LEU 13 -9.701 4.611 -17.911
92 H TYR 14 H TYR 14 -8.523 2.826 -13.111
93 HA TYR 14 HA TYR 14 -9.442 5.020 -11.538
94 HB2 TYR 14 1HB TYR 14 -9.348 2.115 -10.711
95 HB3 TYR 14 2HB TYR 14 -10.514 3.344 -10.215
96 HD1 TYR 14 HD1 TYR 14 -11.872 4.438 -12.301
97 HD2 TYR 14 HD2 TYR 14 -9.951 0.585 -12.350
98 HE1 TYR 14 HE1 TYR 14 -13.317 3.733 -14.215
99 HE2 TYR 14 HE2 TYR 14 -11.396 -0.105 -14.271
100 HH TYR 14 HH TYR 14 -13.102 0.490 -15.679
101 H GLN 15 H GLN 15 -6.825 2.655 -11.136
102 HA GLN 15 HA GLN 15 -6.114 3.460 -8.448
103 HB2 GLN 15 1HB GLN 15 -4.528 2.090 -10.650
104 HB3 GLN 15 2HB GLN 15 -3.957 2.299 -8.993
105 HG2 GLN 15 1HG GLN 15 -6.467 0.782 -9.775
106 HG3 GLN 15 2HG GLN 15 -4.888 0.051 -9.466
107 HE21 GLN 15 2HE2 GLN 15 -7.774 0.399 -8.097
108 HE22 GLN 15 1HE2 GLN 15 -7.323 0.524 -6.415
109 H LEU 16 H LEU 16 -5.160 4.385 -11.724
110 HA LEU 16 HA LEU 16 -3.009 6.103 -11.000
111 HB2 LEU 16 1HB LEU 16 -4.843 6.037 -13.396
112 HB3 LEU 16 2HB LEU 16 -3.520 7.185 -13.254
113 HG LEU 16 HG LEU 16 -3.139 4.179 -13.102
114 HD11 LEU 16 1HD1 LEU 16 -2.318 4.312 -15.403
115 HD12 LEU 16 2HD1 LEU 16 -2.779 6.029 -15.477
116 HD13 LEU 16 3HD1 LEU 16 -4.022 4.770 -15.298
117 HD21 LEU 16 3HD2 LEU 16 -0.797 4.712 -13.570
118 HD22 LEU 16 1HD2 LEU 16 -1.324 5.523 -12.093
119 HD23 LEU 16 2HD2 LEU 16 -1.174 6.443 -13.606
120 H GLU 17 H GLU 17 -6.522 6.758 -11.174
121 HA GLU 17 HA GLU 17 -6.389 9.588 -10.987
122 HB2 GLU 17 1HB GLU 17 -8.390 7.611 -9.845
123 HB3 GLU 17 2HB GLU 17 -8.622 9.358 -9.808
124 HG2 GLU 17 1HG GLU 17 -8.662 9.468 -12.223
125 HG3 GLU 17 2HG GLU 17 -8.250 7.758 -12.346
126 HE2 GLU 17 HE2 GLU 17 -11.890 8.734 -11.140
127 H ASN 18 H ASN 18 -5.852 7.144 -8.513
128 HA ASN 18 HA ASN 18 -6.239 8.822 -6.227
129 HB2 ASN 18 1HB ASN 18 -4.526 6.343 -6.556
130 HB3 ASN 18 2HB ASN 18 -4.922 7.101 -5.012
131 HD21 ASN 18 2HD2 ASN 18 -5.571 4.448 -6.397
132 HD22 ASN 18 1HD2 ASN 18 -7.296 4.299 -6.154
133 H TYR 19 H TYR 19 -3.534 8.549 -8.425
134 HA TYR 19 HA TYR 19 -1.479 9.572 -6.619
135 HB2 TYR 19 1HB TYR 19 -1.770 9.337 -9.597
136 HB3 TYR 19 2HB TYR 19 -0.326 9.992 -8.864
137 HD1 TYR 19 HD2 TYR 19 -2.385 6.891 -9.135
138 HD2 TYR 19 HD1 TYR 19 1.384 8.613 -8.007
139 HE1 TYR 19 HE2 TYR 19 -1.396 4.622 -8.987
140 HE2 TYR 19 HE1 TYR 19 2.364 6.336 -7.861
141 HH TYR 19 HH TYR 19 0.454 3.399 -8.548
142 H CYS 20 H CYS 20 -4.187 11.013 -8.060
143 HA CYS 20 HA CYS 20 -2.796 13.597 -8.551
144 HB2 CYS 20 1HB CYS 20 -5.553 12.691 -9.430
145 HB3 CYS 20 2HB CYS 20 -4.657 14.116 -10.001
146 H ASN 21 H ASN 21 -3.318 15.391 -7.391
147 HA ASN 21 HA ASN 21 -4.801 14.977 -4.930
148 HB2 ASN 21 1HB ASN 21 -2.769 16.478 -5.097
149 HB3 ASN 21 2HB ASN 21 -3.744 17.622 -6.033
150 HD21 ASN 21 2HD2 ASN 21 -4.368 19.266 -4.782
151 HD22 ASN 21 1HD2 ASN 21 -4.944 19.107 -3.142
152 HXT ASN 21 H02 ASN 21 -6.510 14.363 -5.965
153 H1 PHE 1 3H0 PHE 1 -8.811 3.357 -22.200
154 H2 PHE 1 2H0 PHE 1 -8.299 2.270 -23.332
155 H3 PHE 1 1H0 PHE 1 -9.196 1.759 -22.047
156 HA PHE 1 HA PHE 1 -6.468 2.866 -21.917
157 HB2 PHE 1 1HB PHE 1 -8.082 3.373 -19.994
158 HB3 PHE 1 2HB PHE 1 -8.119 1.634 -19.682
159 HD1 PHE 1 HD1 PHE 1 -5.980 4.677 -19.688
160 HD2 PHE 1 HD2 PHE 1 -6.255 0.517 -18.596
161 HE1 PHE 1 HE1 PHE 1 -3.907 4.900 -18.334
162 HE2 PHE 1 HE2 PHE 1 -4.178 0.737 -17.237
163 HZ PHE 1 HZ PHE 1 -2.996 2.925 -17.120
164 H VAL 2 H VAL 2 -4.806 1.256 -21.526
165 HA VAL 2 HA VAL 2 -5.732 -1.534 -22.123
166 HB VAL 2 HB VAL 2 -3.085 -0.196 -22.897
167 HG11 VAL 2 1HG1 VAL 2 -2.698 -2.298 -24.201
168 HG12 VAL 2 2HG1 VAL 2 -2.778 -2.598 -22.454
169 HG13 VAL 2 3HG1 VAL 2 -4.173 -2.993 -23.490
170 HG21 VAL 2 3HG2 VAL 2 -3.911 -0.487 -25.248
171 HG22 VAL 2 1HG2 VAL 2 -5.489 -0.997 -24.602
172 HG23 VAL 2 2HG2 VAL 2 -4.889 0.655 -24.312
173 H ASN 3 H ASN 3 -5.186 -3.045 -20.638
174 HA ASN 3 HA ASN 3 -3.949 -2.232 -18.163
175 HB2 ASN 3 1HB ASN 3 -3.773 -4.788 -17.840
176 HB3 ASN 3 2HB ASN 3 -5.401 -4.070 -17.908
177 HD21 ASN 3 2HD2 ASN 3 -3.564 -6.599 -18.978
178 HD22 ASN 3 1HD2 ASN 3 -4.477 -7.021 -20.404
179 H GLN 4 H GLN 4 -1.908 -2.142 -17.593
180 HA GLN 4 HA GLN 4 -0.045 -4.162 -18.481
181 HB2 GLN 4 1HB GLN 4 1.654 -2.588 -19.324
182 HB3 GLN 4 2HB GLN 4 0.222 -2.567 -20.357
183 HG2 GLN 4 1HG GLN 4 -0.533 -0.482 -19.235
184 HG3 GLN 4 2HG GLN 4 0.945 -0.499 -18.266
185 HE21 GLN 4 2HE2 GLN 4 -0.364 -0.194 -21.518
186 HE22 GLN 4 1HE2 GLN 4 1.015 0.641 -22.192
187 H HIS 5 H HIS 5 1.727 -4.131 -17.058
188 HA HIS 5 HA HIS 5 1.362 -2.844 -14.466
189 HB2 HIS 5 1HB HIS 5 3.841 -4.092 -15.735
190 HB3 HIS 5 2HB HIS 5 3.638 -3.682 -14.034
191 HD1 HIS 5 HD1 HIS 5 0.990 -4.877 -13.289
192 HD2 HIS 5 HD2 HIS 5 3.653 -6.806 -15.795
193 HE1 HIS 5 HE1 HIS 5 0.407 -7.375 -13.229
194 HE2 HIS 5 HE2 HIS 5 2.059 -8.522 -14.748
195 H LEU 6 H LEU 6 2.417 -0.930 -13.724
196 HA LEU 6 HA LEU 6 3.775 0.651 -15.888
197 HB2 LEU 6 1HB LEU 6 1.788 1.569 -13.795
198 HB3 LEU 6 2HB LEU 6 2.743 2.646 -14.796
199 HG LEU 6 HG LEU 6 0.654 0.720 -15.847
200 HD11 LEU 6 1HD1 LEU 6 -0.717 2.693 -16.161
201 HD12 LEU 6 2HD1 LEU 6 0.583 3.739 -15.542
202 HD13 LEU 6 3HD1 LEU 6 -0.228 2.597 -14.462
203 HD21 LEU 6 3HD2 LEU 6 2.178 2.963 -17.224
204 HD22 LEU 6 1HD2 LEU 6 0.860 2.015 -17.935
205 HD23 LEU 6 2HD2 LEU 6 2.389 1.220 -17.520
206 H CYS 7 H CYS 7 5.858 0.731 -15.340
207 HA CYS 7 HA CYS 7 6.507 1.446 -12.505
208 HB2 CYS 7 1HB CYS 7 8.198 -0.127 -14.480
209 HB3 CYS 7 2HB CYS 7 8.597 0.206 -12.791
210 H GLY 8 H GLY 8 8.202 2.969 -12.213
211 HA2 GLY 8 1HA GLY 8 9.521 4.776 -12.780
212 HA3 GLY 8 2HA GLY 8 9.905 3.873 -14.253
213 H SER 9 H SER 9 9.838 5.338 -15.825
214 HA SER 9 HA SER 9 8.176 7.605 -15.926
215 HB2 SER 9 1HB SER 9 10.198 7.343 -17.273
216 HB3 SER 9 2HB SER 9 9.438 6.030 -18.200
217 HG SER 9 HG SER 9 8.056 7.461 -19.120
218 H HIS 10 H HIS 10 7.420 4.266 -16.973
219 HA HIS 10 HA HIS 10 5.254 4.968 -18.703
220 HB2 HIS 10 1HB HIS 10 6.030 2.518 -17.164
221 HB3 HIS 10 2HB HIS 10 4.363 2.639 -17.710
222 HD1 HIS 10 HD1 HIS 10 4.030 1.353 -19.839
223 HD2 HIS 10 HD2 HIS 10 7.744 3.321 -19.692
224 HE1 HIS 10 HE1 HIS 10 5.202 0.913 -22.055
225 HE2 HIS 10 HE2 HIS 10 7.434 2.103 -21.952
226 H LEU 11 H LEU 11 5.449 4.647 -15.172
227 HA LEU 11 HA LEU 11 2.607 4.792 -14.740
228 HB2 LEU 11 1HB LEU 11 4.332 3.947 -13.123
229 HB3 LEU 11 2HB LEU 11 4.908 5.596 -12.925
230 HG LEU 11 HG LEU 11 2.712 6.231 -11.949
231 HD11 LEU 11 1HD1 LEU 11 1.172 4.458 -11.225
232 HD12 LEU 11 2HD1 LEU 11 2.160 3.242 -12.072
233 HD13 LEU 11 3HD1 LEU 11 1.302 4.500 -12.988
234 HD21 LEU 11 3HD2 LEU 11 4.660 5.535 -10.596
235 HD22 LEU 11 1HD2 LEU 11 4.087 3.851 -10.641
236 HD23 LEU 11 2HD2 LEU 11 3.129 5.102 -9.821
237 H VAL 12 H VAL 12 5.244 7.194 -14.747
238 HA VAL 12 HA VAL 12 3.640 9.436 -14.025
239 HB VAL 12 HB VAL 12 6.204 9.354 -15.686
240 HG11 VAL 12 1HG1 VAL 12 5.063 11.535 -15.765
241 HG12 VAL 12 2HG1 VAL 12 5.056 11.585 -13.988
242 HG13 VAL 12 3HG1 VAL 12 6.596 11.622 -14.875
243 HG21 VAL 12 3HG2 VAL 12 7.352 9.752 -13.488
244 HG22 VAL 12 1HG2 VAL 12 5.798 9.466 -12.669
245 HG23 VAL 12 2HG2 VAL 12 6.578 8.163 -13.600
246 H GLU 13 H GLU 13 4.593 8.110 -17.209
247 HA GLU 13 HA GLU 13 3.421 10.195 -18.784
248 HB2 GLU 13 1HB GLU 13 4.022 7.270 -19.335
249 HB3 GLU 13 2HB GLU 13 3.420 8.377 -20.576
250 HG2 GLU 13 1HG GLU 13 5.393 9.702 -20.509
251 HG3 GLU 13 2HG GLU 13 5.944 8.958 -19.004
252 HE2 GLU 13 HE2 GLU 13 5.928 8.873 -22.209
253 H ALA 14 H ALA 14 2.096 7.242 -17.324
254 HA ALA 14 HA ALA 14 -0.383 7.366 -18.817
255 HB1 ALA 14 3HB ALA 14 -1.130 5.653 -17.265
256 HB2 ALA 14 1HB ALA 14 0.529 5.294 -17.793
257 HB3 ALA 14 2HB ALA 14 0.240 5.993 -16.182
258 H LEU 15 H LEU 15 0.791 8.655 -15.722
259 HA LEU 15 HA LEU 15 -1.769 9.434 -14.721
260 HB2 LEU 15 1HB LEU 15 1.056 10.389 -14.201
261 HB3 LEU 15 2HB LEU 15 -0.337 11.093 -13.385
262 HG LEU 15 HG LEU 15 0.317 8.147 -13.259
263 HD11 LEU 15 1HD1 LEU 15 2.125 9.517 -12.224
264 HD12 LEU 15 2HD1 LEU 15 1.242 8.487 -11.076
265 HD13 LEU 15 3HD1 LEU 15 0.901 10.228 -11.148
266 HD21 LEU 15 3HD2 LEU 15 -1.225 8.208 -11.386
267 HD22 LEU 15 1HD2 LEU 15 -2.003 8.728 -12.874
268 HD23 LEU 15 2HD2 LEU 15 -1.511 9.940 -11.680
269 H TYR 16 H TYR 16 0.512 11.033 -16.913
270 HA TYR 16 HA TYR 16 -0.781 13.593 -16.921
271 HB2 TYR 16 1HB TYR 16 0.898 12.090 -18.944
272 HB3 TYR 16 2HB TYR 16 0.110 13.610 -19.372
273 HD1 TYR 16 HD1 TYR 16 0.537 15.663 -17.802
274 HD2 TYR 16 HD2 TYR 16 3.048 12.170 -17.915
275 HE1 TYR 16 HE1 TYR 16 2.412 16.969 -16.795
276 HE2 TYR 16 HE2 TYR 16 4.924 13.496 -16.937
277 HH TYR 16 HH TYR 16 5.602 15.527 -16.130
278 H LEU 17 H LEU 17 -1.491 10.545 -18.630
279 HA LEU 17 HA LEU 17 -3.487 11.753 -20.336
280 HB2 LEU 17 1HB LEU 17 -3.183 8.880 -19.435
281 HB3 LEU 17 2HB LEU 17 -4.221 9.461 -20.720
282 HG LEU 17 HG LEU 17 -1.190 9.644 -20.756
283 HD11 LEU 17 1HD1 LEU 17 -1.965 7.300 -20.694
284 HD12 LEU 17 2HD1 LEU 17 -1.270 7.714 -22.275
285 HD13 LEU 17 3HD1 LEU 17 -3.038 7.616 -22.082
286 HD21 LEU 17 3HD2 LEU 17 -1.509 10.005 -23.192
287 HD22 LEU 17 1HD2 LEU 17 -2.253 11.292 -22.226
288 HD23 LEU 17 2HD2 LEU 17 -3.272 10.026 -22.949
289 H VAL 18 H VAL 18 -3.666 9.877 -17.294
290 HA VAL 18 HA VAL 18 -6.543 9.737 -17.354
291 HB VAL 18 HB VAL 18 -4.539 9.261 -15.091
292 HG11 VAL 18 1HG1 VAL 18 -6.364 7.965 -13.988
293 HG12 VAL 18 2HG1 VAL 18 -6.743 9.691 -14.098
294 HG13 VAL 18 3HG1 VAL 18 -7.507 8.546 -15.226
295 HG21 VAL 18 3HG2 VAL 18 -4.195 7.731 -16.908
296 HG22 VAL 18 1HG2 VAL 18 -5.073 6.857 -15.646
297 HG23 VAL 18 2HG2 VAL 18 -5.940 7.439 -17.079
298 H CYS 19 H CYS 19 -4.243 11.831 -15.602
299 HA CYS 19 HA CYS 19 -6.585 13.250 -14.476
300 HB2 CYS 19 1HB CYS 19 -3.644 13.350 -13.801
301 HB3 CYS 19 2HB CYS 19 -4.891 14.363 -13.031
302 H GLY 20 H GLY 20 -4.567 13.495 -17.200
303 HA2 GLY 20 1HA GLY 20 -4.560 15.146 -18.801
304 HA3 GLY 20 2HA GLY 20 -5.904 15.906 -17.939
305 H GLU 21 H GLU 21 -5.077 17.929 -18.489
306 HA GLU 21 HA GLU 21 -2.457 18.831 -17.758
307 HB2 GLU 21 1HB GLU 21 -5.030 20.348 -18.312
308 HB3 GLU 21 2HB GLU 21 -3.432 21.092 -18.169
309 HG2 GLU 21 1HG GLU 21 -2.639 19.758 -20.097
310 HG3 GLU 21 2HG GLU 21 -4.254 19.053 -20.265
311 HE2 GLU 21 HE2 GLU 21 -2.450 20.908 -21.643
312 H ARG 22 H ARG 22 -5.031 18.067 -15.702
313 HA ARG 22 HA ARG 22 -4.848 20.243 -13.806
314 HB2 ARG 22 1HB ARG 22 -5.695 17.348 -13.436
315 HB3 ARG 22 2HB ARG 22 -5.917 18.629 -12.242
316 HG2 ARG 22 1HG ARG 22 -7.403 19.842 -13.756
317 HG3 ARG 22 2HG ARG 22 -7.164 18.616 -15.017
318 HD2 ARG 22 1HD ARG 22 -8.294 18.023 -12.262
319 HD3 ARG 22 2HD ARG 22 -9.288 18.363 -13.695
320 HE ARG 22 HE ARG 22 -7.491 16.298 -14.396
321 HH11 ARG 22 1HH1 ARG 22 -10.198 16.714 -12.158
322 HH12 ARG 22 2HH1 ARG 22 -10.648 15.033 -12.246
323 HH21 ARG 22 1HH2 ARG 22 -8.150 14.180 -14.479
324 HH22 ARG 22 2HH2 ARG 22 -9.499 13.623 -13.531
325 H GLY 23 H GLY 23 -2.850 17.480 -14.496
326 HA2 GLY 23 1HA GLY 23 -0.694 17.147 -13.660
327 HA3 GLY 23 2HA GLY 23 -0.987 18.368 -12.411
328 H PHE 24 H PHE 24 0.306 16.428 -11.432
329 HA PHE 24 HA PHE 24 -1.438 14.956 -9.636
330 HB2 PHE 24 1HB PHE 24 -0.648 12.725 -10.359
331 HB3 PHE 24 2HB PHE 24 -1.616 13.508 -11.608
332 HD1 PHE 24 HD2 PHE 24 1.776 12.441 -10.669
333 HD2 PHE 24 HD1 PHE 24 -0.680 14.228 -13.698
334 HE1 PHE 24 HE2 PHE 24 3.593 12.112 -12.312
335 HE2 PHE 24 HE1 PHE 24 1.131 13.910 -15.355
336 HZ PHE 24 HZ PHE 24 3.274 12.852 -14.682
337 H PHE 25 H PHE 25 0.300 13.290 -8.488
338 HA PHE 25 HA PHE 25 2.979 14.588 -8.504
339 HB2 PHE 25 1HB PHE 25 3.117 14.374 -6.052
340 HB3 PHE 25 2HB PHE 25 1.854 15.507 -6.543
341 HD1 PHE 25 HD1 PHE 25 2.502 12.119 -5.156
342 HD2 PHE 25 HD2 PHE 25 -0.466 15.107 -6.040
343 HE1 PHE 25 HE1 PHE 25 0.841 10.871 -3.784
344 HE2 PHE 25 HE2 PHE 25 -2.135 13.862 -4.669
345 HZ PHE 25 HZ PHE 25 -1.486 11.738 -3.544
346 H TYR 26 H TYR 26 4.629 13.087 -7.598
347 HA TYR 26 HA TYR 26 3.842 10.227 -7.713
348 HB2 TYR 26 1HB TYR 26 4.440 10.690 -10.011
349 HB3 TYR 26 2HB TYR 26 5.874 11.599 -9.509
350 HD1 TYR 26 HD1 TYR 26 4.450 8.159 -8.803
351 HD2 TYR 26 HD2 TYR 26 7.898 10.511 -9.859
352 HE1 TYR 26 HE1 TYR 26 5.853 6.107 -8.837
353 HE2 TYR 26 HE2 TYR 26 9.278 8.439 -9.939
354 HH TYR 26 HH TYR 26 9.325 6.189 -9.688
355 H THR 27 H THR 27 5.070 8.978 -6.389
356 HA THR 27 HA THR 27 7.165 10.394 -4.817
357 HB THR 27 HB THR 27 6.583 8.505 -3.132
358 HG1 THR 27 HG1 THR 27 4.249 7.998 -3.467
359 HG21 THR 27 1HG2 THR 27 4.495 10.632 -3.779
360 HG22 THR 27 2HG2 THR 27 5.983 10.910 -2.843
361 HG23 THR 27 3HG2 THR 27 4.729 9.821 -2.213
362 HA PRO 28 HA PRO 28 9.475 7.109 -6.961
363 HB2 PRO 28 1HB PRO 28 11.932 8.299 -6.916
364 HB3 PRO 28 2HB PRO 28 10.677 8.761 -8.110
365 HG2 PRO 28 1HG PRO 28 11.373 10.078 -5.499
366 HG3 PRO 28 2HG PRO 28 11.194 10.816 -7.119
367 HD2 PRO 28 1HD PRO 28 9.202 10.857 -5.292
368 HD3 PRO 28 2HD PRO 28 8.862 10.675 -7.047
369 H LYS 29 H LYS 29 11.149 5.644 -6.150
370 HA LYS 29 HA LYS 29 11.167 5.552 -3.206
371 HB2 LYS 29 1HB LYS 29 12.439 3.386 -3.610
372 HB3 LYS 29 2HB LYS 29 10.761 3.434 -4.144
373 HG2 LYS 29 1HG LYS 29 11.304 3.358 -6.400
374 HG3 LYS 29 2HG LYS 29 12.909 4.066 -6.168
375 HD2 LYS 29 1HD LYS 29 12.498 1.449 -4.816
376 HD3 LYS 29 2HD LYS 29 12.426 1.400 -6.584
377 HE2 LYS 29 1HE LYS 29 14.712 0.979 -5.926
378 HE3 LYS 29 2HE LYS 29 14.638 2.572 -6.688
379 HZ1 LYS 29 3HZ LYS 29 16.012 2.571 -4.690
380 HZ2 LYS 29 1HZ LYS 29 14.735 2.103 -3.758
381 HZ3 LYS 29 2HZ LYS 29 14.723 3.583 -4.497
382 H THR 30 H THR 30 12.416 7.396 -2.770
383 HA THR 30 HA THR 30 15.079 7.670 -3.856
384 HB THR 30 HB THR 30 15.079 9.440 -1.847
385 HG1 THR 30 HG1 THR 30 12.919 9.894 -1.250
386 HG21 THR 30 1HG2 THR 30 13.147 9.538 -4.264
387 HG22 THR 30 2HG2 THR 30 14.846 10.062 -4.276
388 HG23 THR 30 3HG2 THR 30 13.653 10.954 -3.321
389 HXT THR 30 H02 THR 30 16.515 6.707 -3.335
Start of MODEL 22
1 H1 GLY 1 3H0 GLY 1 1.841 -0.661 0.273
2 H2 GLY 1 2H0 GLY 1 0.821 -1.272 -0.869
3 H3 GLY 1 1H0 GLY 1 2.386 -0.934 -1.260
4 HA2 GLY 1 1HA GLY 1 0.362 1.052 -0.476
5 HA3 GLY 1 2HA GLY 1 2.042 1.404 -0.926
6 H ILE 2 H ILE 2 0.211 2.746 -2.352
7 HA ILE 2 HA ILE 2 -0.983 1.342 -4.506
8 HB ILE 2 HB ILE 2 -1.632 3.598 -3.629
9 HG12 ILE 2 1HG1 ILE 2 -1.135 3.491 -6.620
10 HG13 ILE 2 2HG1 ILE 2 -2.411 2.610 -5.778
11 HG21 ILE 2 1HG2 ILE 2 0.656 4.717 -5.328
12 HG22 ILE 2 2HG2 ILE 2 -0.491 5.628 -4.330
13 HG23 ILE 2 3HG2 ILE 2 0.715 4.587 -3.553
14 HD11 ILE 2 3HD1 ILE 2 -3.391 4.562 -6.714
15 HD12 ILE 2 1HD1 ILE 2 -3.296 4.832 -4.962
16 HD13 ILE 2 2HD1 ILE 2 -2.126 5.620 -6.055
17 H VAL 3 H VAL 3 2.243 2.874 -4.312
18 HA VAL 3 HA VAL 3 2.721 2.624 -7.113
19 HB VAL 3 HB VAL 3 3.967 4.181 -5.657
20 HG11 VAL 3 1HG1 VAL 3 5.771 3.431 -4.209
21 HG12 VAL 3 2HG1 VAL 3 4.238 2.708 -3.682
22 HG13 VAL 3 3HG1 VAL 3 5.423 1.732 -4.591
23 HG21 VAL 3 3HG2 VAL 3 4.867 3.489 -7.865
24 HG22 VAL 3 1HG2 VAL 3 6.152 3.895 -6.705
25 HG23 VAL 3 2HG2 VAL 3 5.788 2.190 -7.075
26 H GLU 4 H GLU 4 3.126 0.322 -4.431
27 HA GLU 4 HA GLU 4 4.640 -1.556 -6.028
28 HB2 GLU 4 1HB GLU 4 2.907 -1.898 -3.552
29 HB3 GLU 4 2HB GLU 4 3.738 -3.237 -4.346
30 HG2 GLU 4 1HG GLU 4 5.183 -2.628 -2.611
31 HG3 GLU 4 2HG GLU 4 5.899 -1.909 -4.061
32 HE2 GLU 4 HE2 GLU 4 6.172 0.837 -2.110
33 H GLN 5 H GLN 5 1.155 -1.107 -5.293
34 HA GLN 5 HA GLN 5 0.214 -3.363 -6.733
35 HB2 GLN 5 1HB GLN 5 -1.008 -0.673 -6.068
36 HB3 GLN 5 2HB GLN 5 -1.891 -1.887 -6.993
37 HG2 GLN 5 1HG GLN 5 -0.748 -2.338 -4.217
38 HG3 GLN 5 2HG GLN 5 -2.432 -1.915 -4.574
39 HE21 GLN 5 2HE2 GLN 5 -0.727 -4.430 -3.613
40 HE22 GLN 5 1HE2 GLN 5 -1.533 -5.725 -4.462
41 H CYS 6 H CYS 6 0.959 -0.037 -7.851
42 HA CYS 6 HA CYS 6 -0.024 -0.644 -10.509
43 HB2 CYS 6 1HB CYS 6 1.379 1.645 -9.200
44 HB3 CYS 6 2HB CYS 6 1.454 1.517 -10.967
45 H CYS 7 H CYS 7 3.213 -0.740 -8.993
46 HA CYS 7 HA CYS 7 4.533 -1.044 -11.544
47 HB2 CYS 7 1HB CYS 7 5.432 -1.470 -8.690
48 HB3 CYS 7 2HB CYS 7 6.485 -1.757 -10.082
49 H THR 8 H THR 8 3.768 -3.389 -8.896
50 HA THR 8 HA THR 8 4.907 -5.519 -10.574
51 HB THR 8 HB THR 8 5.212 -5.262 -8.008
52 HG1 THR 8 HG1 THR 8 4.482 -7.715 -9.263
53 HG21 THR 8 1HG2 THR 8 3.628 -6.323 -6.581
54 HG22 THR 8 2HG2 THR 8 2.673 -6.933 -7.946
55 HG23 THR 8 3HG2 THR 8 2.677 -5.198 -7.568
56 H SER 9 H SER 9 1.758 -4.230 -9.972
57 HA SER 9 HA SER 9 0.598 -6.556 -11.420
58 HB2 SER 9 1HB SER 9 -1.431 -6.213 -9.771
59 HB3 SER 9 2HB SER 9 -0.026 -7.155 -9.240
60 HG SER 9 HG SER 9 -0.339 -4.376 -8.726
61 H ILE 10 H ILE 10 -2.032 -5.692 -11.572
62 HA ILE 10 HA ILE 10 -1.506 -3.914 -13.775
63 HB ILE 10 HB ILE 10 -4.070 -5.094 -12.668
64 HG12 ILE 10 1HG1 ILE 10 -2.418 -6.666 -13.670
65 HG13 ILE 10 2HG1 ILE 10 -3.962 -6.616 -14.519
66 HG21 ILE 10 1HG2 ILE 10 -3.688 -3.304 -15.098
67 HG22 ILE 10 2HG2 ILE 10 -5.093 -4.381 -14.888
68 HG23 ILE 10 3HG2 ILE 10 -4.798 -3.078 -13.726
69 HD11 ILE 10 3HD1 ILE 10 -2.987 -5.277 -16.322
70 HD12 ILE 10 1HD1 ILE 10 -1.438 -5.180 -15.452
71 HD13 ILE 10 2HD1 ILE 10 -2.021 -6.741 -16.062
72 H CYS 11 H CYS 11 -1.390 -1.850 -13.847
73 HA CYS 11 HA CYS 11 -2.553 -0.226 -11.662
74 HB2 CYS 11 1HB CYS 11 -0.160 -0.005 -12.527
75 HB3 CYS 11 2HB CYS 11 -0.844 0.618 -14.014
76 H SER 12 H SER 12 -4.755 -0.339 -12.190
77 HA SER 12 HA SER 12 -5.678 0.218 -14.906
78 HB2 SER 12 1HB SER 12 -7.915 0.106 -13.881
79 HB3 SER 12 2HB SER 12 -6.920 -1.274 -13.374
80 HG SER 12 HG SER 12 -7.737 -0.547 -11.510
81 H LEU 13 H LEU 13 -7.264 2.040 -15.285
82 HA LEU 13 HA LEU 13 -6.048 4.531 -14.744
83 HB2 LEU 13 1HB LEU 13 -7.912 5.535 -15.803
84 HB3 LEU 13 2HB LEU 13 -7.572 4.026 -16.631
85 HG LEU 13 HG LEU 13 -9.510 3.197 -14.888
86 HD11 LEU 13 1HD1 LEU 13 -10.177 6.074 -15.658
87 HD12 LEU 13 2HD1 LEU 13 -9.926 5.453 -14.007
88 HD13 LEU 13 3HD1 LEU 13 -11.317 4.902 -14.958
89 HD21 LEU 13 3HD2 LEU 13 -9.909 4.439 -17.632
90 HD22 LEU 13 1HD2 LEU 13 -11.042 3.338 -16.807
91 HD23 LEU 13 2HD2 LEU 13 -9.436 2.754 -17.286
92 H TYR 14 H TYR 14 -8.432 2.736 -12.892
93 HA TYR 14 HA TYR 14 -9.376 4.918 -11.311
94 HB2 TYR 14 1HB TYR 14 -9.149 2.027 -10.455
95 HB3 TYR 14 2HB TYR 14 -10.336 3.223 -9.929
96 HD1 TYR 14 HD2 TYR 14 -11.849 4.226 -11.919
97 HD2 TYR 14 HD1 TYR 14 -9.717 0.491 -12.108
98 HE1 TYR 14 HE2 TYR 14 -13.339 3.461 -13.773
99 HE2 TYR 14 HE1 TYR 14 -11.209 -0.260 -13.971
100 HH TYR 14 HH TYR 14 -13.019 0.251 -15.286
101 H GLN 15 H GLN 15 -6.664 2.647 -10.983
102 HA GLN 15 HA GLN 15 -5.891 3.525 -8.335
103 HB2 GLN 15 1HB GLN 15 -4.302 2.201 -10.571
104 HB3 GLN 15 2HB GLN 15 -3.704 2.453 -8.931
105 HG2 GLN 15 1HG GLN 15 -6.144 0.786 -9.650
106 HG3 GLN 15 2HG GLN 15 -4.521 0.147 -9.340
107 HE21 GLN 15 2HE2 GLN 15 -7.393 0.314 -7.954
108 HE22 GLN 15 1HE2 GLN 15 -6.946 0.515 -6.280
109 H LEU 16 H LEU 16 -5.053 4.413 -11.674
110 HA LEU 16 HA LEU 16 -2.969 6.237 -11.028
111 HB2 LEU 16 1HB LEU 16 -4.843 6.034 -13.389
112 HB3 LEU 16 2HB LEU 16 -3.531 7.207 -13.316
113 HG LEU 16 HG LEU 16 -3.065 4.226 -12.999
114 HD11 LEU 16 1HD1 LEU 16 -2.374 4.161 -15.333
115 HD12 LEU 16 2HD1 LEU 16 -2.869 5.857 -15.545
116 HD13 LEU 16 3HD1 LEU 16 -4.078 4.601 -15.193
117 HD21 LEU 16 3HD2 LEU 16 -0.774 4.813 -13.671
118 HD22 LEU 16 1HD2 LEU 16 -1.253 5.677 -12.202
119 HD23 LEU 16 2HD2 LEU 16 -1.231 6.524 -13.767
120 H GLU 17 H GLU 17 -6.511 6.752 -11.202
121 HA GLU 17 HA GLU 17 -6.475 9.591 -11.064
122 HB2 GLU 17 1HB GLU 17 -8.414 7.521 -9.989
123 HB3 GLU 17 2HB GLU 17 -8.710 9.256 -9.851
124 HG2 GLU 17 1HG GLU 17 -8.725 9.509 -12.254
125 HG3 GLU 17 2HG GLU 17 -8.273 7.818 -12.475
126 HE2 GLU 17 HE2 GLU 17 -11.985 8.818 -11.884
127 H ASN 18 H ASN 18 -5.920 7.208 -8.517
128 HA ASN 18 HA ASN 18 -6.397 8.998 -6.315
129 HB2 ASN 18 1HB ASN 18 -4.783 6.449 -6.505
130 HB3 ASN 18 2HB ASN 18 -5.092 7.308 -4.993
131 HD21 ASN 18 2HD2 ASN 18 -6.004 4.708 -6.591
132 HD22 ASN 18 1HD2 ASN 18 -7.696 4.640 -6.157
133 H TYR 19 H TYR 19 -3.616 8.543 -8.392
134 HA TYR 19 HA TYR 19 -1.622 9.685 -6.596
135 HB2 TYR 19 1HB TYR 19 -1.831 9.269 -9.565
136 HB3 TYR 19 2HB TYR 19 -0.418 10.004 -8.850
137 HD1 TYR 19 HD2 TYR 19 -2.336 6.846 -9.138
138 HD2 TYR 19 HD1 TYR 19 1.250 8.723 -7.703
139 HE1 TYR 19 HE2 TYR 19 -1.287 4.603 -8.826
140 HE2 TYR 19 HE1 TYR 19 2.289 6.484 -7.398
141 HH TYR 19 HH TYR 19 2.061 4.243 -7.684
142 H CYS 20 H CYS 20 -4.301 11.011 -8.174
143 HA CYS 20 HA CYS 20 -2.985 13.652 -8.599
144 HB2 CYS 20 1HB CYS 20 -5.652 12.701 -9.659
145 HB3 CYS 20 2HB CYS 20 -4.669 14.067 -10.230
146 H ASN 21 H ASN 21 -3.595 12.804 -6.008
147 HA ASN 21 HA ASN 21 -5.534 14.865 -5.196
148 HB2 ASN 21 1HB ASN 21 -6.856 12.701 -5.399
149 HB3 ASN 21 2HB ASN 21 -5.776 11.975 -4.203
150 HD21 ASN 21 2HD2 ASN 21 -7.609 11.671 -2.824
151 HD22 ASN 21 1HD2 ASN 21 -8.233 13.018 -1.907
152 HXT ASN 21 H02 ASN 21 -5.351 15.371 -3.236
153 H1 PHE 1 3H0 PHE 1 -9.271 3.330 -21.974
154 H2 PHE 1 2H0 PHE 1 -8.795 2.144 -23.017
155 H3 PHE 1 1H0 PHE 1 -9.545 1.745 -21.605
156 HA PHE 1 HA PHE 1 -6.885 2.994 -21.851
157 HB2 PHE 1 1HB PHE 1 -8.189 3.731 -19.863
158 HB3 PHE 1 2HB PHE 1 -8.415 2.039 -19.400
159 HD1 PHE 1 HD2 PHE 1 -5.928 4.774 -19.779
160 HD2 PHE 1 HD1 PHE 1 -6.649 0.788 -18.303
161 HE1 PHE 1 HE2 PHE 1 -3.772 4.844 -18.551
162 HE2 PHE 1 HE1 PHE 1 -4.490 0.859 -17.063
163 HZ PHE 1 HZ PHE 1 -3.037 2.881 -17.208
164 H VAL 2 H VAL 2 -5.164 1.539 -21.924
165 HA VAL 2 HA VAL 2 -5.946 -1.331 -21.981
166 HB VAL 2 HB VAL 2 -3.321 0.013 -22.808
167 HG11 VAL 2 1HG1 VAL 2 -4.319 -2.853 -23.195
168 HG12 VAL 2 2HG1 VAL 2 -2.826 -2.179 -23.886
169 HG13 VAL 2 3HG1 VAL 2 -2.990 -2.339 -22.128
170 HG21 VAL 2 3HG2 VAL 2 -5.650 -1.012 -24.497
171 HG22 VAL 2 1HG2 VAL 2 -5.122 0.680 -24.330
172 HG23 VAL 2 2HG2 VAL 2 -4.074 -0.498 -25.140
173 H ASN 3 H ASN 3 -5.818 -2.335 -20.076
174 HA ASN 3 HA ASN 3 -4.326 -1.340 -17.842
175 HB2 ASN 3 1HB ASN 3 -5.512 -4.045 -18.521
176 HB3 ASN 3 2HB ASN 3 -4.560 -3.769 -17.061
177 HD21 ASN 3 2HD2 ASN 3 -7.456 -4.442 -17.485
178 HD22 ASN 3 1HD2 ASN 3 -8.333 -3.207 -16.617
179 H GLN 4 H GLN 4 -2.281 -1.660 -17.225
180 HA GLN 4 HA GLN 4 -0.805 -3.995 -18.079
181 HB2 GLN 4 1HB GLN 4 1.014 -2.734 -19.167
182 HB3 GLN 4 2HB GLN 4 -0.500 -2.535 -20.056
183 HG2 GLN 4 1HG GLN 4 -0.790 -0.337 -18.746
184 HG3 GLN 4 2HG GLN 4 0.909 -0.535 -18.303
185 HE21 GLN 4 2HE2 GLN 4 -1.359 -0.134 -20.966
186 HE22 GLN 4 1HE2 GLN 4 -0.187 0.509 -22.100
187 H HIS 5 H HIS 5 1.132 -4.059 -16.886
188 HA HIS 5 HA HIS 5 1.101 -2.787 -14.264
189 HB2 HIS 5 1HB HIS 5 3.459 -4.109 -15.675
190 HB3 HIS 5 2HB HIS 5 3.249 -3.863 -13.938
191 HD1 HIS 5 HD1 HIS 5 0.534 -5.003 -13.364
192 HD2 HIS 5 HD2 HIS 5 3.166 -6.804 -16.014
193 HE1 HIS 5 HE1 HIS 5 -0.136 -7.475 -13.529
194 HE2 HIS 5 HE2 HIS 5 1.488 -8.541 -15.138
195 H LEU 6 H LEU 6 2.195 -0.888 -13.648
196 HA LEU 6 HA LEU 6 3.718 0.532 -15.807
197 HB2 LEU 6 1HB LEU 6 1.417 1.584 -14.140
198 HB3 LEU 6 2HB LEU 6 2.543 2.630 -14.984
199 HG LEU 6 HG LEU 6 0.811 0.594 -16.401
200 HD11 LEU 6 1HD1 LEU 6 0.337 3.525 -15.811
201 HD12 LEU 6 2HD1 LEU 6 -0.678 2.149 -15.348
202 HD13 LEU 6 3HD1 LEU 6 -0.550 2.606 -17.052
203 HD21 LEU 6 3HD2 LEU 6 1.322 2.024 -18.378
204 HD22 LEU 6 1HD2 LEU 6 2.775 1.288 -17.686
205 HD23 LEU 6 2HD2 LEU 6 2.403 3.004 -17.369
206 H CYS 7 H CYS 7 5.643 1.145 -15.076
207 HA CYS 7 HA CYS 7 5.854 2.171 -12.307
208 HB2 CYS 7 1HB CYS 7 6.456 -0.406 -12.648
209 HB3 CYS 7 2HB CYS 7 7.960 0.263 -13.292
210 H GLY 8 H GLY 8 8.000 3.296 -12.019
211 HA2 GLY 8 1HA GLY 8 9.584 4.809 -12.763
212 HA3 GLY 8 2HA GLY 8 9.722 3.800 -14.212
213 H SER 9 H SER 9 9.920 5.446 -15.696
214 HA SER 9 HA SER 9 8.316 7.775 -15.810
215 HB2 SER 9 1HB SER 9 9.047 7.115 -18.433
216 HB3 SER 9 2HB SER 9 9.983 8.099 -17.280
217 HG SER 9 HG SER 9 11.257 6.379 -17.969
218 H HIS 10 H HIS 10 7.630 4.476 -16.920
219 HA HIS 10 HA HIS 10 5.535 5.175 -18.767
220 HB2 HIS 10 1HB HIS 10 6.379 2.716 -17.294
221 HB3 HIS 10 2HB HIS 10 4.710 2.773 -17.853
222 HD1 HIS 10 HD1 HIS 10 4.246 2.357 -20.333
223 HD2 HIS 10 HD2 HIS 10 8.321 2.840 -19.453
224 HE1 HIS 10 HE1 HIS 10 5.539 1.757 -22.446
225 HE2 HIS 10 HE2 HIS 10 7.992 2.050 -21.897
226 H LEU 11 H LEU 11 5.606 4.724 -15.233
227 HA LEU 11 HA LEU 11 2.746 4.792 -14.902
228 HB2 LEU 11 1HB LEU 11 4.384 3.962 -13.201
229 HB3 LEU 11 2HB LEU 11 4.954 5.610 -12.976
230 HG LEU 11 HG LEU 11 2.713 6.255 -12.118
231 HD11 LEU 11 1HD1 LEU 11 1.352 4.551 -13.231
232 HD12 LEU 11 2HD1 LEU 11 1.129 4.487 -11.477
233 HD13 LEU 11 3HD1 LEU 11 2.151 3.275 -12.286
234 HD21 LEU 11 3HD2 LEU 11 4.018 3.891 -10.708
235 HD22 LEU 11 1HD2 LEU 11 2.940 5.095 -9.961
236 HD23 LEU 11 2HD2 LEU 11 4.516 5.597 -10.588
237 H VAL 12 H VAL 12 5.314 7.265 -14.836
238 HA VAL 12 HA VAL 12 3.638 9.452 -14.108
239 HB VAL 12 HB VAL 12 6.216 9.448 -15.755
240 HG11 VAL 12 1HG1 VAL 12 4.999 11.582 -15.909
241 HG12 VAL 12 2HG1 VAL 12 4.927 11.672 -14.138
242 HG13 VAL 12 3HG1 VAL 12 6.494 11.759 -14.970
243 HG21 VAL 12 3HG2 VAL 12 7.316 9.936 -13.557
244 HG22 VAL 12 1HG2 VAL 12 5.759 9.653 -12.749
245 HG23 VAL 12 2HG2 VAL 12 6.573 8.329 -13.610
246 H GLU 13 H GLU 13 4.599 8.150 -17.308
247 HA GLU 13 HA GLU 13 3.315 10.194 -18.853
248 HB2 GLU 13 1HB GLU 13 4.091 7.320 -19.397
249 HB3 GLU 13 2HB GLU 13 3.266 8.302 -20.613
250 HG2 GLU 13 1HG GLU 13 5.883 9.086 -19.295
251 HG3 GLU 13 2HG GLU 13 5.756 8.253 -20.849
252 HE2 GLU 13 HE2 GLU 13 6.142 10.982 -19.492
253 H ALA 14 H ALA 14 2.119 7.201 -17.372
254 HA ALA 14 HA ALA 14 -0.409 7.263 -18.770
255 HB1 ALA 14 3HB ALA 14 0.575 5.245 -17.715
256 HB2 ALA 14 1HB ALA 14 0.305 5.981 -16.117
257 HB3 ALA 14 2HB ALA 14 -1.081 5.585 -17.162
258 H LEU 15 H LEU 15 0.812 8.604 -15.705
259 HA LEU 15 HA LEU 15 -1.739 9.397 -14.690
260 HB2 LEU 15 1HB LEU 15 1.093 10.376 -14.216
261 HB3 LEU 15 2HB LEU 15 -0.291 11.080 -13.393
262 HG LEU 15 HG LEU 15 0.399 8.145 -13.214
263 HD11 LEU 15 1HD1 LEU 15 1.345 8.548 -11.046
264 HD12 LEU 15 2HD1 LEU 15 0.985 10.283 -11.157
265 HD13 LEU 15 3HD1 LEU 15 2.205 9.558 -12.229
266 HD21 LEU 15 3HD2 LEU 15 -1.419 9.947 -11.635
267 HD22 LEU 15 1HD2 LEU 15 -1.116 8.219 -11.326
268 HD23 LEU 15 2HD2 LEU 15 -1.925 8.718 -12.807
269 H TYR 16 H TYR 16 0.560 11.002 -16.878
270 HA TYR 16 HA TYR 16 -0.709 13.562 -16.918
271 HB2 TYR 16 1HB TYR 16 0.894 12.003 -18.962
272 HB3 TYR 16 2HB TYR 16 0.126 13.530 -19.390
273 HD1 TYR 16 HD1 TYR 16 0.622 15.581 -17.779
274 HD2 TYR 16 HD2 TYR 16 3.102 12.084 -18.107
275 HE1 TYR 16 HE1 TYR 16 2.560 16.861 -16.865
276 HE2 TYR 16 HE2 TYR 16 5.041 13.383 -17.219
277 HH TYR 16 HH TYR 16 4.775 16.806 -16.284
278 H LEU 17 H LEU 17 -1.451 10.526 -18.654
279 HA LEU 17 HA LEU 17 -3.463 11.760 -20.313
280 HB2 LEU 17 1HB LEU 17 -3.141 8.877 -19.449
281 HB3 LEU 17 2HB LEU 17 -4.211 9.471 -20.703
282 HG LEU 17 HG LEU 17 -1.185 9.673 -20.812
283 HD11 LEU 17 1HD1 LEU 17 -1.932 7.320 -20.723
284 HD12 LEU 17 2HD1 LEU 17 -1.282 7.735 -22.322
285 HD13 LEU 17 3HD1 LEU 17 -3.042 7.621 -22.085
286 HD21 LEU 17 3HD2 LEU 17 -1.565 10.029 -23.237
287 HD22 LEU 17 1HD2 LEU 17 -2.307 11.305 -22.256
288 HD23 LEU 17 2HD2 LEU 17 -3.323 10.023 -22.954
289 H VAL 18 H VAL 18 -3.657 9.808 -17.312
290 HA VAL 18 HA VAL 18 -6.528 9.652 -17.400
291 HB VAL 18 HB VAL 18 -4.556 9.201 -15.102
292 HG11 VAL 18 1HG1 VAL 18 -6.386 7.883 -14.031
293 HG12 VAL 18 2HG1 VAL 18 -6.780 9.606 -14.150
294 HG13 VAL 18 3HG1 VAL 18 -7.512 8.453 -15.292
295 HG21 VAL 18 3HG2 VAL 18 -5.886 7.364 -17.123
296 HG22 VAL 18 1HG2 VAL 18 -4.150 7.663 -16.884
297 HG23 VAL 18 2HG2 VAL 18 -5.072 6.785 -15.658
298 H CYS 19 H CYS 19 -4.254 11.783 -15.688
299 HA CYS 19 HA CYS 19 -6.596 13.152 -14.500
300 HB2 CYS 19 1HB CYS 19 -3.643 13.259 -13.866
301 HB3 CYS 19 2HB CYS 19 -4.902 14.191 -13.023
302 H GLY 20 H GLY 20 -4.501 13.533 -17.196
303 HA2 GLY 20 1HA GLY 20 -4.293 15.316 -18.633
304 HA3 GLY 20 2HA GLY 20 -5.859 15.844 -18.011
305 H GLU 21 H GLU 21 -5.572 17.961 -17.971
306 HA GLU 21 HA GLU 21 -3.164 19.251 -17.167
307 HB2 GLU 21 1HB GLU 21 -4.444 21.313 -17.414
308 HB3 GLU 21 2HB GLU 21 -4.706 20.199 -18.750
309 HG2 GLU 21 1HG GLU 21 -6.826 21.134 -18.310
310 HG3 GLU 21 2HG GLU 21 -6.893 19.504 -17.632
311 HE2 GLU 21 HE2 GLU 21 -6.609 22.556 -15.108
312 H ARG 22 H ARG 22 -5.455 17.852 -15.036
313 HA ARG 22 HA ARG 22 -5.393 20.011 -13.092
314 HB2 ARG 22 1HB ARG 22 -6.785 18.742 -11.815
315 HB3 ARG 22 2HB ARG 22 -7.101 18.038 -13.403
316 HG2 ARG 22 1HG ARG 22 -5.342 16.269 -12.784
317 HG3 ARG 22 2HG ARG 22 -5.430 16.920 -11.138
318 HD2 ARG 22 1HD ARG 22 -6.928 15.137 -11.147
319 HD3 ARG 22 2HD ARG 22 -7.948 16.584 -11.313
320 HE ARG 22 HE ARG 22 -7.284 15.681 -13.907
321 HH11 ARG 22 1HH1 ARG 22 -9.185 14.515 -11.166
322 HH12 ARG 22 2HH1 ARG 22 -10.247 13.575 -12.184
323 HH21 ARG 22 1HH2 ARG 22 -8.666 14.463 -15.134
324 HH22 ARG 22 2HH2 ARG 22 -9.952 13.549 -14.399
325 H GLY 23 H GLY 23 -3.150 17.603 -14.006
326 HA2 GLY 23 1HA GLY 23 -0.969 17.396 -13.206
327 HA3 GLY 23 2HA GLY 23 -1.378 18.416 -11.818
328 H PHE 24 H PHE 24 0.151 16.454 -11.155
329 HA PHE 24 HA PHE 24 -1.389 14.727 -9.420
330 HB2 PHE 24 1HB PHE 24 -0.601 12.599 -10.376
331 HB3 PHE 24 2HB PHE 24 -1.650 13.448 -11.512
332 HD1 PHE 24 HD2 PHE 24 1.824 12.461 -10.799
333 HD2 PHE 24 HD1 PHE 24 -0.852 14.285 -13.609
334 HE1 PHE 24 HE2 PHE 24 3.563 12.285 -12.536
335 HE2 PHE 24 HE1 PHE 24 0.883 14.120 -15.369
336 HZ PHE 24 HZ PHE 24 3.104 13.118 -14.852
337 H PHE 25 H PHE 25 0.474 13.107 -8.464
338 HA PHE 25 HA PHE 25 3.075 14.560 -8.592
339 HB2 PHE 25 1HB PHE 25 3.436 14.394 -6.256
340 HB3 PHE 25 2HB PHE 25 1.839 15.118 -6.467
341 HD1 PHE 25 HD2 PHE 25 -0.209 13.804 -5.928
342 HD2 PHE 25 HD1 PHE 25 3.734 12.214 -5.255
343 HE1 PHE 25 HE2 PHE 25 -1.176 12.043 -4.462
344 HE2 PHE 25 HE1 PHE 25 2.776 10.452 -3.780
345 HZ PHE 25 HZ PHE 25 0.313 10.360 -3.384
346 H TYR 26 H TYR 26 4.901 13.220 -7.862
347 HA TYR 26 HA TYR 26 4.496 10.288 -8.123
348 HB2 TYR 26 1HB TYR 26 4.986 11.069 -10.418
349 HB3 TYR 26 2HB TYR 26 6.388 11.972 -9.825
350 HD1 TYR 26 HD1 TYR 26 4.984 8.485 -10.010
351 HD2 TYR 26 HD2 TYR 26 8.521 10.925 -9.732
352 HE1 TYR 26 HE1 TYR 26 6.412 6.461 -10.239
353 HE2 TYR 26 HE2 TYR 26 9.942 8.889 -9.962
354 HH TYR 26 HH TYR 26 8.503 5.631 -10.390
355 H THR 27 H THR 27 6.475 9.188 -7.281
356 HA THR 27 HA THR 27 7.849 10.907 -5.274
357 HB THR 27 HB THR 27 8.367 8.637 -4.204
358 HG1 THR 27 HG1 THR 27 6.588 7.121 -4.870
359 HG21 THR 27 1HG2 THR 27 6.166 8.508 -3.141
360 HG22 THR 27 2HG2 THR 27 5.437 9.441 -4.470
361 HG23 THR 27 3HG2 THR 27 6.613 10.209 -3.377
362 HA PRO 28 HA PRO 28 11.266 9.853 -8.118
363 HB2 PRO 28 1HB PRO 28 12.779 12.070 -7.743
364 HB3 PRO 28 2HB PRO 28 11.318 12.111 -8.780
365 HG2 PRO 28 1HG PRO 28 11.610 12.912 -5.898
366 HG3 PRO 28 2HG PRO 28 10.912 13.844 -7.260
367 HD2 PRO 28 1HD PRO 28 9.363 12.432 -5.541
368 HD3 PRO 28 2HD PRO 28 8.960 12.559 -7.287
369 H LYS 29 H LYS 29 13.675 9.609 -7.575
370 HA LYS 29 HA LYS 29 13.879 8.818 -4.700
371 HB2 LYS 29 1HB LYS 29 15.047 7.730 -7.272
372 HB3 LYS 29 2HB LYS 29 15.856 7.443 -5.727
373 HG2 LYS 29 1HG LYS 29 14.462 5.527 -6.224
374 HG3 LYS 29 2HG LYS 29 13.775 6.387 -4.840
375 HD2 LYS 29 1HD LYS 29 12.123 7.461 -6.374
376 HD3 LYS 29 2HD LYS 29 12.773 6.513 -7.719
377 HE2 LYS 29 1HE LYS 29 12.051 4.461 -6.633
378 HE3 LYS 29 2HE LYS 29 11.574 5.371 -5.175
379 HZ1 LYS 29 3HZ LYS 29 9.645 5.008 -6.552
380 HZ2 LYS 29 1HZ LYS 29 10.378 5.676 -7.872
381 HZ3 LYS 29 2HZ LYS 29 10.001 6.624 -6.577
382 H THR 30 H THR 30 14.619 10.554 -3.730
383 HA THR 30 HA THR 30 17.131 11.803 -4.733
384 HB THR 30 HB THR 30 15.647 13.546 -5.180
385 HG1 THR 30 HG1 THR 30 15.908 14.000 -2.386
386 HG21 THR 30 1HG2 THR 30 13.685 14.146 -3.677
387 HG22 THR 30 2HG2 THR 30 13.989 12.683 -2.729
388 HG23 THR 30 3HG2 THR 30 13.505 12.565 -4.436
389 HXT THR 30 H02 THR 30 18.386 11.632 -1.663
Start of MODEL 23
1 H1 GLY 1 3H0 GLY 1 -0.069 -1.420 -0.993
2 H2 GLY 1 2H0 GLY 1 1.499 -1.674 -1.437
3 H3 GLY 1 1H0 GLY 1 1.148 -1.195 0.099
4 HA2 GLY 1 1HA GLY 1 0.366 0.929 -0.652
5 HA3 GLY 1 2HA GLY 1 2.034 0.640 -1.179
6 H ILE 2 H ILE 2 0.128 2.478 -2.431
7 HA ILE 2 HA ILE 2 -1.173 1.240 -4.629
8 HB ILE 2 HB ILE 2 -1.681 3.500 -3.641
9 HG12 ILE 2 1HG1 ILE 2 -1.268 3.501 -6.646
10 HG13 ILE 2 2HG1 ILE 2 -2.560 2.634 -5.817
11 HG21 ILE 2 1HG2 ILE 2 0.722 4.353 -3.604
12 HG22 ILE 2 2HG2 ILE 2 0.617 4.558 -5.369
13 HG23 ILE 2 3HG2 ILE 2 -0.448 5.489 -4.297
14 HD11 ILE 2 3HD1 ILE 2 -2.158 5.653 -5.901
15 HD12 ILE 2 1HD1 ILE 2 -3.447 4.708 -6.668
16 HD13 ILE 2 2HD1 ILE 2 -3.380 4.829 -4.897
17 H VAL 3 H VAL 3 2.129 2.598 -4.420
18 HA VAL 3 HA VAL 3 2.595 2.449 -7.230
19 HB VAL 3 HB VAL 3 3.910 3.867 -5.677
20 HG11 VAL 3 1HG1 VAL 3 5.694 2.937 -4.291
21 HG12 VAL 3 2HG1 VAL 3 4.122 2.295 -3.783
22 HG13 VAL 3 3HG1 VAL 3 5.233 1.284 -4.748
23 HG21 VAL 3 3HG2 VAL 3 6.086 3.542 -6.730
24 HG22 VAL 3 1HG2 VAL 3 5.638 1.887 -7.216
25 HG23 VAL 3 2HG2 VAL 3 4.789 3.286 -7.916
26 H GLU 4 H GLU 4 2.856 0.033 -4.656
27 HA GLU 4 HA GLU 4 4.356 -1.879 -6.188
28 HB2 GLU 4 1HB GLU 4 2.459 -2.082 -3.847
29 HB3 GLU 4 2HB GLU 4 3.105 -3.531 -4.618
30 HG2 GLU 4 1HG GLU 4 5.297 -3.053 -4.003
31 HG3 GLU 4 2HG GLU 4 4.938 -1.349 -3.667
32 HE2 GLU 4 HE2 GLU 4 4.886 -3.829 -0.785
33 H GLN 5 H GLN 5 0.858 -1.232 -5.784
34 HA GLN 5 HA GLN 5 -0.093 -3.461 -7.240
35 HB2 GLN 5 1HB GLN 5 -1.490 -1.853 -5.894
36 HB3 GLN 5 2HB GLN 5 -1.263 -0.655 -7.174
37 HG2 GLN 5 1HG GLN 5 -2.335 -2.289 -8.786
38 HG3 GLN 5 2HG GLN 5 -2.728 -3.310 -7.399
39 HE21 GLN 5 2HE2 GLN 5 -2.991 -0.392 -6.041
40 HE22 GLN 5 1HE2 GLN 5 -4.647 0.017 -6.441
41 H CYS 6 H CYS 6 0.852 -0.176 -8.375
42 HA CYS 6 HA CYS 6 0.125 -0.812 -11.095
43 HB2 CYS 6 1HB CYS 6 1.941 1.405 -10.101
44 HB3 CYS 6 2HB CYS 6 1.116 1.326 -11.657
45 H CYS 7 H CYS 7 3.096 -1.153 -9.217
46 HA CYS 7 HA CYS 7 4.792 -1.463 -11.537
47 HB2 CYS 7 1HB CYS 7 5.077 -2.151 -8.601
48 HB3 CYS 7 2HB CYS 7 6.304 -2.613 -9.783
49 H THR 8 H THR 8 3.372 -3.806 -9.186
50 HA THR 8 HA THR 8 4.460 -6.001 -10.795
51 HB THR 8 HB THR 8 4.514 -5.896 -8.254
52 HG1 THR 8 HG1 THR 8 3.461 -8.124 -9.679
53 HG21 THR 8 1HG2 THR 8 1.737 -7.073 -8.353
54 HG22 THR 8 2HG2 THR 8 1.967 -5.327 -8.136
55 HG23 THR 8 3HG2 THR 8 2.658 -6.459 -6.963
56 H SER 9 H SER 9 1.449 -4.333 -10.637
57 HA SER 9 HA SER 9 0.332 -6.373 -12.470
58 HB2 SER 9 1HB SER 9 -0.517 -6.795 -10.076
59 HB3 SER 9 2HB SER 9 -1.318 -5.211 -10.171
60 HG SER 9 HG SER 9 -2.615 -7.093 -10.803
61 H ILE 10 H ILE 10 -2.186 -5.064 -12.820
62 HA ILE 10 HA ILE 10 -1.141 -2.527 -14.030
63 HB ILE 10 HB ILE 10 -3.446 -4.322 -14.945
64 HG12 ILE 10 1HG1 ILE 10 -1.548 -3.791 -16.991
65 HG13 ILE 10 2HG1 ILE 10 -0.603 -4.189 -15.571
66 HG21 ILE 10 1HG2 ILE 10 -2.365 -1.716 -16.120
67 HG22 ILE 10 2HG2 ILE 10 -3.597 -2.766 -16.865
68 HG23 ILE 10 3HG2 ILE 10 -3.957 -1.933 -15.351
69 HD11 ILE 10 3HD1 ILE 10 -0.982 -6.174 -16.904
70 HD12 ILE 10 1HD1 ILE 10 -1.874 -6.329 -15.367
71 HD13 ILE 10 2HD1 ILE 10 -2.745 -5.908 -16.864
72 H CYS 11 H CYS 11 -1.721 -0.775 -12.993
73 HA CYS 11 HA CYS 11 -4.089 -0.678 -11.276
74 HB2 CYS 11 1HB CYS 11 -2.062 1.363 -12.253
75 HB3 CYS 11 2HB CYS 11 -3.511 1.839 -11.360
76 H SER 12 H SER 12 -6.091 -0.125 -11.913
77 HA SER 12 HA SER 12 -6.650 0.459 -14.716
78 HB2 SER 12 1HB SER 12 -8.978 0.678 -13.926
79 HB3 SER 12 2HB SER 12 -8.238 -0.799 -13.270
80 HG SER 12 HG SER 12 -9.159 0.142 -11.542
81 H LEU 13 H LEU 13 -7.921 2.526 -15.246
82 HA LEU 13 HA LEU 13 -6.361 4.782 -14.565
83 HB2 LEU 13 1HB LEU 13 -7.968 6.096 -15.741
84 HB3 LEU 13 2HB LEU 13 -7.731 4.582 -16.593
85 HG LEU 13 HG LEU 13 -9.952 3.968 -15.120
86 HD11 LEU 13 1HD1 LEU 13 -10.144 6.926 -15.844
87 HD12 LEU 13 2HD1 LEU 13 -10.166 6.239 -14.201
88 HD13 LEU 13 3HD1 LEU 13 -11.496 5.898 -15.319
89 HD21 LEU 13 3HD2 LEU 13 -9.616 3.600 -17.526
90 HD22 LEU 13 1HD2 LEU 13 -9.860 5.340 -17.834
91 HD23 LEU 13 2HD2 LEU 13 -11.196 4.346 -17.205
92 H TYR 14 H TYR 14 -9.252 3.449 -13.001
93 HA TYR 14 HA TYR 14 -9.877 5.728 -11.416
94 HB2 TYR 14 1HB TYR 14 -10.245 2.842 -10.599
95 HB3 TYR 14 2HB TYR 14 -11.236 4.234 -10.149
96 HD1 TYR 14 HD2 TYR 14 -12.394 5.492 -12.218
97 HD2 TYR 14 HD1 TYR 14 -10.940 1.439 -12.330
98 HE1 TYR 14 HE2 TYR 14 -13.869 5.008 -14.174
99 HE2 TYR 14 HE1 TYR 14 -12.407 0.973 -14.298
100 HH TYR 14 HH TYR 14 -14.005 1.797 -15.719
101 H GLN 15 H GLN 15 -7.659 2.993 -10.913
102 HA GLN 15 HA GLN 15 -6.965 3.714 -8.195
103 HB2 GLN 15 1HB GLN 15 -5.534 2.075 -10.316
104 HB3 GLN 15 2HB GLN 15 -4.981 2.225 -8.649
105 HG2 GLN 15 1HG GLN 15 -7.699 1.124 -9.444
106 HG3 GLN 15 2HG GLN 15 -6.266 0.137 -9.148
107 HE21 GLN 15 2HE2 GLN 15 -9.014 0.752 -7.756
108 HE22 GLN 15 1HE2 GLN 15 -8.549 0.885 -6.078
109 H LEU 16 H LEU 16 -5.691 4.419 -11.439
110 HA LEU 16 HA LEU 16 -3.374 5.828 -10.550
111 HB2 LEU 16 1HB LEU 16 -4.941 5.896 -13.125
112 HB3 LEU 16 2HB LEU 16 -3.469 6.837 -12.881
113 HG LEU 16 HG LEU 16 -3.602 3.817 -12.579
114 HD11 LEU 16 1HD1 LEU 16 -2.668 5.458 -14.955
115 HD12 LEU 16 2HD1 LEU 16 -4.138 4.454 -14.881
116 HD13 LEU 16 3HD1 LEU 16 -2.543 3.689 -14.779
117 HD21 LEU 16 3HD2 LEU 16 -1.262 5.755 -12.824
118 HD22 LEU 16 1HD2 LEU 16 -1.129 3.981 -12.832
119 HD23 LEU 16 2HD2 LEU 16 -1.715 4.815 -11.386
120 H GLU 17 H GLU 17 -6.729 6.943 -11.073
121 HA GLU 17 HA GLU 17 -6.258 9.736 -10.988
122 HB2 GLU 17 1HB GLU 17 -8.544 8.046 -9.933
123 HB3 GLU 17 2HB GLU 17 -8.555 9.805 -9.844
124 HG2 GLU 17 1HG GLU 17 -8.453 9.982 -12.261
125 HG3 GLU 17 2HG GLU 17 -8.329 8.230 -12.410
126 HE2 GLU 17 HE2 GLU 17 -11.795 9.885 -11.525
127 H ASN 18 H ASN 18 -6.172 7.373 -8.350
128 HA ASN 18 HA ASN 18 -6.439 9.235 -6.219
129 HB2 ASN 18 1HB ASN 18 -5.125 6.524 -6.356
130 HB3 ASN 18 2HB ASN 18 -5.232 7.464 -4.867
131 HD21 ASN 18 2HD2 ASN 18 -6.615 4.988 -6.371
132 HD22 ASN 18 1HD2 ASN 18 -8.265 5.177 -5.821
133 H TYR 19 H TYR 19 -3.665 8.550 -8.258
134 HA TYR 19 HA TYR 19 -1.619 9.491 -6.458
135 HB2 TYR 19 1HB TYR 19 -1.882 9.324 -9.454
136 HB3 TYR 19 2HB TYR 19 -0.456 10.029 -8.722
137 HD1 TYR 19 HD2 TYR 19 -2.402 6.852 -9.019
138 HD2 TYR 19 HD1 TYR 19 1.285 8.682 -7.780
139 HE1 TYR 19 HE2 TYR 19 -1.357 4.600 -8.816
140 HE2 TYR 19 HE1 TYR 19 2.323 6.417 -7.569
141 HH TYR 19 HH TYR 19 0.516 3.427 -8.310
142 H CYS 20 H CYS 20 -4.094 11.140 -8.334
143 HA CYS 20 HA CYS 20 -3.015 13.711 -7.314
144 HB2 CYS 20 1HB CYS 20 -3.824 14.775 -9.353
145 HB3 CYS 20 2HB CYS 20 -2.526 13.640 -9.679
146 H ASN 21 H ASN 21 -4.736 12.110 -5.927
147 HA ASN 21 HA ASN 21 -7.516 12.512 -6.443
148 HB2 ASN 21 1HB ASN 21 -6.510 10.794 -4.840
149 HB3 ASN 21 2HB ASN 21 -6.242 12.091 -3.687
150 HD21 ASN 21 2HD2 ASN 21 -8.287 9.624 -4.509
151 HD22 ASN 21 1HD2 ASN 21 -9.749 10.260 -3.804
152 HXT ASN 21 H02 ASN 21 -6.672 15.597 -4.233
153 H1 PHE 1 3H0 PHE 1 -9.170 3.060 -22.177
154 H2 PHE 1 2H0 PHE 1 -8.361 2.473 -23.491
155 H3 PHE 1 1H0 PHE 1 -9.084 1.432 -22.438
156 HA PHE 1 HA PHE 1 -6.789 3.180 -21.836
157 HB2 PHE 1 1HB PHE 1 -8.495 2.717 -19.982
158 HB3 PHE 1 2HB PHE 1 -8.021 1.018 -20.088
159 HD1 PHE 1 HD2 PHE 1 -6.706 4.468 -19.431
160 HD2 PHE 1 HD1 PHE 1 -6.088 0.228 -18.934
161 HE1 PHE 1 HE2 PHE 1 -4.793 4.927 -17.907
162 HE2 PHE 1 HE1 PHE 1 -4.176 0.687 -17.408
163 HZ PHE 1 HZ PHE 1 -3.515 3.037 -16.909
164 H VAL 2 H VAL 2 -4.759 1.918 -21.457
165 HA VAL 2 HA VAL 2 -4.808 -0.674 -22.967
166 HB VAL 2 HB VAL 2 -2.550 1.395 -22.809
167 HG11 VAL 2 1HG1 VAL 2 -1.676 -0.909 -22.947
168 HG12 VAL 2 2HG1 VAL 2 -2.735 -1.245 -24.339
169 HG13 VAL 2 3HG1 VAL 2 -1.417 -0.062 -24.484
170 HG21 VAL 2 3HG2 VAL 2 -2.949 1.661 -25.270
171 HG22 VAL 2 1HG2 VAL 2 -4.394 0.635 -25.122
172 HG23 VAL 2 2HG2 VAL 2 -4.318 2.205 -24.289
173 H ASN 3 H ASN 3 -4.241 -2.381 -21.702
174 HA ASN 3 HA ASN 3 -3.346 -1.829 -18.976
175 HB2 ASN 3 1HB ASN 3 -3.779 -4.431 -20.486
176 HB3 ASN 3 2HB ASN 3 -3.220 -4.336 -18.808
177 HD21 ASN 3 2HD2 ASN 3 -5.599 -5.638 -19.632
178 HD22 ASN 3 1HD2 ASN 3 -6.947 -4.773 -18.937
179 H GLN 4 H GLN 4 -1.355 -1.702 -18.294
180 HA GLN 4 HA GLN 4 0.696 -3.483 -19.303
181 HB2 GLN 4 1HB GLN 4 2.286 -1.538 -19.758
182 HB3 GLN 4 2HB GLN 4 1.049 -1.797 -20.994
183 HG2 GLN 4 1HG GLN 4 -0.293 0.025 -20.073
184 HG3 GLN 4 2HG GLN 4 0.894 0.279 -18.800
185 HE21 GLN 4 2HE2 GLN 4 -0.136 1.253 -21.808
186 HE22 GLN 4 1HE2 GLN 4 1.301 2.109 -22.313
187 H HIS 5 H HIS 5 2.331 -3.588 -17.767
188 HA HIS 5 HA HIS 5 1.701 -2.574 -15.104
189 HB2 HIS 5 1HB HIS 5 4.215 -3.923 -16.173
190 HB3 HIS 5 2HB HIS 5 3.856 -3.607 -14.470
191 HD1 HIS 5 HD1 HIS 5 1.074 -4.543 -14.066
192 HD2 HIS 5 HD2 HIS 5 3.695 -6.597 -16.529
193 HE1 HIS 5 HE1 HIS 5 0.153 -6.910 -14.334
194 HE2 HIS 5 HE2 HIS 5 1.801 -8.156 -15.789
195 H LEU 6 H LEU 6 2.691 -0.915 -13.974
196 HA LEU 6 HA LEU 6 4.299 0.987 -15.655
197 HB2 LEU 6 1HB LEU 6 2.033 1.590 -13.733
198 HB3 LEU 6 2HB LEU 6 2.943 2.773 -14.650
199 HG LEU 6 HG LEU 6 1.131 0.691 -15.888
200 HD11 LEU 6 1HD1 LEU 6 0.593 3.587 -15.166
201 HD12 LEU 6 2HD1 LEU 6 -0.144 2.148 -14.421
202 HD13 LEU 6 3HD1 LEU 6 -0.489 2.540 -16.115
203 HD21 LEU 6 3HD2 LEU 6 2.409 3.199 -17.011
204 HD22 LEU 6 1HD2 LEU 6 1.167 2.250 -17.836
205 HD23 LEU 6 2HD2 LEU 6 2.747 1.517 -17.501
206 H CYS 7 H CYS 7 6.294 0.902 -14.619
207 HA CYS 7 HA CYS 7 6.227 1.442 -11.675
208 HB2 CYS 7 1HB CYS 7 6.709 -0.990 -12.467
209 HB3 CYS 7 2HB CYS 7 8.300 -0.362 -12.910
210 H GLY 8 H GLY 8 7.652 2.227 -14.705
211 HA2 GLY 8 1HA GLY 8 9.757 3.842 -13.327
212 HA3 GLY 8 2HA GLY 8 9.897 3.192 -14.971
213 H SER 9 H SER 9 10.044 5.036 -16.167
214 HA SER 9 HA SER 9 8.616 7.451 -15.824
215 HB2 SER 9 1HB SER 9 9.052 7.666 -18.330
216 HB3 SER 9 2HB SER 9 10.483 7.339 -17.326
217 HG SER 9 HG SER 9 10.271 5.996 -19.242
218 H HIS 10 H HIS 10 7.610 4.385 -17.172
219 HA HIS 10 HA HIS 10 5.364 5.156 -18.686
220 HB2 HIS 10 1HB HIS 10 6.006 2.713 -17.017
221 HB3 HIS 10 2HB HIS 10 4.464 2.888 -17.842
222 HD1 HIS 10 HD1 HIS 10 4.329 1.794 -20.051
223 HD2 HIS 10 HD2 HIS 10 8.211 3.138 -19.156
224 HE1 HIS 10 HE1 HIS 10 5.799 1.145 -21.997
225 HE2 HIS 10 HE2 HIS 10 8.141 1.974 -21.473
226 H LEU 11 H LEU 11 5.673 4.847 -15.134
227 HA LEU 11 HA LEU 11 2.829 4.915 -14.687
228 HB2 LEU 11 1HB LEU 11 4.555 4.058 -13.100
229 HB3 LEU 11 2HB LEU 11 5.117 5.704 -12.848
230 HG LEU 11 HG LEU 11 3.078 6.305 -11.706
231 HD11 LEU 11 1HD1 LEU 11 1.301 4.650 -11.236
232 HD12 LEU 11 2HD1 LEU 11 2.089 3.496 -12.335
233 HD13 LEU 11 3HD1 LEU 11 1.410 5.021 -12.963
234 HD21 LEU 11 3HD2 LEU 11 4.888 5.086 -10.484
235 HD22 LEU 11 1HD2 LEU 11 4.024 3.559 -10.776
236 HD23 LEU 11 2HD2 LEU 11 3.281 4.829 -9.773
237 H VAL 12 H VAL 12 5.388 7.372 -14.842
238 HA VAL 12 HA VAL 12 3.723 9.598 -14.126
239 HB VAL 12 HB VAL 12 6.263 9.524 -15.835
240 HG11 VAL 12 1HG1 VAL 12 5.031 11.655 -16.006
241 HG12 VAL 12 2HG1 VAL 12 5.039 11.800 -14.234
242 HG13 VAL 12 3HG1 VAL 12 6.568 11.855 -15.142
243 HG21 VAL 12 3HG2 VAL 12 7.421 10.093 -13.677
244 HG22 VAL 12 1HG2 VAL 12 5.890 9.786 -12.825
245 HG23 VAL 12 2HG2 VAL 12 6.713 8.468 -13.694
246 H GLU 13 H GLU 13 4.676 8.110 -17.237
247 HA GLU 13 HA GLU 13 3.409 10.028 -18.934
248 HB2 GLU 13 1HB GLU 13 4.056 7.086 -19.288
249 HB3 GLU 13 2HB GLU 13 3.402 8.092 -20.586
250 HG2 GLU 13 1HG GLU 13 5.352 9.495 -20.599
251 HG3 GLU 13 2HG GLU 13 5.975 8.755 -19.125
252 HE2 GLU 13 HE2 GLU 13 6.135 8.833 -22.230
253 H ALA 14 H ALA 14 2.194 7.157 -17.245
254 HA ALA 14 HA ALA 14 -0.342 7.114 -18.631
255 HB1 ALA 14 3HB ALA 14 -1.013 5.573 -16.834
256 HB2 ALA 14 1HB ALA 14 0.601 5.152 -17.455
257 HB3 ALA 14 2HB ALA 14 0.441 6.007 -15.903
258 H LEU 15 H LEU 15 0.868 8.636 -15.634
259 HA LEU 15 HA LEU 15 -1.698 9.463 -14.701
260 HB2 LEU 15 1HB LEU 15 1.112 10.422 -14.165
261 HB3 LEU 15 2HB LEU 15 -0.291 11.174 -13.412
262 HG LEU 15 HG LEU 15 0.419 8.243 -13.103
263 HD11 LEU 15 1HD1 LEU 15 1.176 8.808 -10.868
264 HD12 LEU 15 2HD1 LEU 15 0.822 10.526 -11.150
265 HD13 LEU 15 3HD1 LEU 15 2.112 9.717 -12.071
266 HD21 LEU 15 3HD2 LEU 15 -1.590 9.998 -11.690
267 HD22 LEU 15 1HD2 LEU 15 -1.214 8.303 -11.298
268 HD23 LEU 15 2HD2 LEU 15 -1.959 8.697 -12.844
269 H TYR 16 H TYR 16 0.503 10.956 -17.046
270 HA TYR 16 HA TYR 16 -0.717 13.540 -17.120
271 HB2 TYR 16 1HB TYR 16 0.660 11.818 -19.196
272 HB3 TYR 16 2HB TYR 16 -0.146 13.312 -19.671
273 HD1 TYR 16 HD1 TYR 16 0.592 15.523 -18.669
274 HD2 TYR 16 HD2 TYR 16 2.857 11.900 -18.198
275 HE1 TYR 16 HE1 TYR 16 2.611 16.856 -18.055
276 HE2 TYR 16 HE2 TYR 16 4.877 13.244 -17.610
277 HH TYR 16 HH TYR 16 4.821 16.801 -17.458
278 H LEU 17 H LEU 17 -1.593 10.461 -18.700
279 HA LEU 17 HA LEU 17 -3.744 11.626 -20.229
280 HB2 LEU 17 1HB LEU 17 -3.312 8.760 -19.342
281 HB3 LEU 17 2HB LEU 17 -4.430 9.307 -20.578
282 HG LEU 17 HG LEU 17 -1.408 9.560 -20.769
283 HD11 LEU 17 1HD1 LEU 17 -3.280 7.483 -21.979
284 HD12 LEU 17 2HD1 LEU 17 -2.127 7.203 -20.650
285 HD13 LEU 17 3HD1 LEU 17 -1.529 7.617 -22.270
286 HD21 LEU 17 3HD2 LEU 17 -1.860 9.899 -23.185
287 HD22 LEU 17 1HD2 LEU 17 -2.586 11.175 -22.190
288 HD23 LEU 17 2HD2 LEU 17 -3.608 9.879 -22.853
289 H VAL 18 H VAL 18 -3.578 9.836 -17.152
290 HA VAL 18 HA VAL 18 -6.457 9.610 -16.961
291 HB VAL 18 HB VAL 18 -4.254 9.154 -14.896
292 HG11 VAL 18 1HG1 VAL 18 -6.351 9.515 -13.733
293 HG12 VAL 18 2HG1 VAL 18 -7.207 8.420 -14.845
294 HG13 VAL 18 3HG1 VAL 18 -5.984 7.788 -13.723
295 HG21 VAL 18 3HG2 VAL 18 -5.805 7.259 -16.706
296 HG22 VAL 18 1HG2 VAL 18 -4.087 7.681 -16.842
297 HG23 VAL 18 2HG2 VAL 18 -4.658 6.766 -15.443
298 H CYS 19 H CYS 19 -4.024 11.751 -15.428
299 HA CYS 19 HA CYS 19 -6.174 13.025 -13.891
300 HB2 CYS 19 1HB CYS 19 -3.569 12.729 -13.339
301 HB3 CYS 19 2HB CYS 19 -3.506 14.327 -14.112
302 H GLY 20 H GLY 20 -4.796 13.326 -17.043
303 HA2 GLY 20 1HA GLY 20 -5.436 14.725 -18.748
304 HA3 GLY 20 2HA GLY 20 -6.672 15.406 -17.681
305 H GLU 21 H GLU 21 -6.219 17.421 -18.678
306 HA GLU 21 HA GLU 21 -3.655 18.683 -18.592
307 HB2 GLU 21 1HB GLU 21 -6.460 19.822 -18.822
308 HB3 GLU 21 2HB GLU 21 -4.979 20.762 -19.047
309 HG2 GLU 21 1HG GLU 21 -4.329 19.277 -20.922
310 HG3 GLU 21 2HG GLU 21 -5.849 18.388 -20.733
311 HE2 GLU 21 HE2 GLU 21 -5.034 19.598 -22.897
312 H ARG 22 H ARG 22 -5.677 17.990 -15.977
313 HA ARG 22 HA ARG 22 -5.415 20.401 -14.427
314 HB2 ARG 22 1HB ARG 22 -5.692 17.508 -13.560
315 HB3 ARG 22 2HB ARG 22 -5.843 18.905 -12.490
316 HG2 ARG 22 1HG ARG 22 -7.781 19.703 -13.808
317 HG3 ARG 22 2HG ARG 22 -7.666 18.252 -14.830
318 HD2 ARG 22 1HD ARG 22 -8.039 18.233 -11.817
319 HD3 ARG 22 2HD ARG 22 -9.352 18.044 -13.000
320 HE ARG 22 HE ARG 22 -7.464 16.124 -13.707
321 HH11 ARG 22 1HH1 ARG 22 -9.282 16.794 -10.742
322 HH12 ARG 22 2HH1 ARG 22 -9.304 15.119 -10.268
323 HH21 ARG 22 1HH2 ARG 22 -7.573 14.013 -13.044
324 HH22 ARG 22 2HH2 ARG 22 -8.350 13.576 -11.548
325 H GLY 23 H GLY 23 -3.234 17.787 -15.191
326 HA2 GLY 23 1HA GLY 23 -0.939 17.682 -14.700
327 HA3 GLY 23 2HA GLY 23 -1.114 19.052 -13.577
328 H PHE 24 H PHE 24 0.357 17.073 -12.575
329 HA PHE 24 HA PHE 24 -1.239 15.957 -10.407
330 HB2 PHE 24 1HB PHE 24 -0.726 13.617 -10.886
331 HB3 PHE 24 2HB PHE 24 -1.669 14.293 -12.215
332 HD1 PHE 24 HD2 PHE 24 -0.572 14.845 -14.377
333 HD2 PHE 24 HD1 PHE 24 1.513 12.845 -11.207
334 HE1 PHE 24 HE2 PHE 24 1.199 14.170 -15.967
335 HE2 PHE 24 HE1 PHE 24 3.276 12.135 -12.794
336 HZ PHE 24 HZ PHE 24 3.124 12.807 -15.198
337 H PHE 25 H PHE 25 0.436 14.447 -9.135
338 HA PHE 25 HA PHE 25 3.213 15.402 -9.603
339 HB2 PHE 25 1HB PHE 25 3.587 15.671 -7.231
340 HB3 PHE 25 2HB PHE 25 2.223 16.694 -7.695
341 HD1 PHE 25 HD1 PHE 25 -0.092 16.095 -6.998
342 HD2 PHE 25 HD2 PHE 25 3.314 13.781 -5.739
343 HE1 PHE 25 HE1 PHE 25 -1.488 14.994 -5.255
344 HE2 PHE 25 HE2 PHE 25 1.926 12.678 -3.992
345 HZ PHE 25 HZ PHE 25 -0.483 13.278 -3.752
346 H TYR 26 H TYR 26 4.779 13.860 -8.647
347 HA TYR 26 HA TYR 26 3.729 11.196 -7.938
348 HB2 TYR 26 1HB TYR 26 3.820 11.022 -10.370
349 HB3 TYR 26 2HB TYR 26 5.434 11.749 -10.401
350 HD1 TYR 26 HD2 TYR 26 3.649 8.830 -8.792
351 HD2 TYR 26 HD1 TYR 26 7.281 10.322 -10.553
352 HE1 TYR 26 HE2 TYR 26 4.705 6.593 -8.524
353 HE2 TYR 26 HE1 TYR 26 8.314 8.068 -10.322
354 HH TYR 26 HH TYR 26 8.035 5.927 -9.675
355 H THR 27 H THR 27 5.197 10.148 -6.612
356 HA THR 27 HA THR 27 7.575 11.731 -5.829
357 HB THR 27 HB THR 27 7.654 10.038 -3.941
358 HG1 THR 27 HG1 THR 27 6.456 8.425 -5.119
359 HG21 THR 27 1HG2 THR 27 4.980 11.470 -4.263
360 HG22 THR 27 2HG2 THR 27 6.486 12.236 -3.697
361 HG23 THR 27 3HG2 THR 27 5.729 10.944 -2.741
362 HA PRO 28 HA PRO 28 9.519 8.589 -8.393
363 HB2 PRO 28 1HB PRO 28 11.973 9.707 -8.755
364 HB3 PRO 28 2HB PRO 28 10.523 10.307 -9.627
365 HG2 PRO 28 1HG PRO 28 11.778 11.350 -7.103
366 HG3 PRO 28 2HG PRO 28 11.337 12.245 -8.591
367 HD2 PRO 28 1HD PRO 28 9.714 12.188 -6.424
368 HD3 PRO 28 2HD PRO 28 9.050 12.168 -8.096
369 H LYS 29 H LYS 29 11.038 6.943 -7.989
370 HA LYS 29 HA LYS 29 11.880 6.699 -5.168
371 HB2 LYS 29 1HB LYS 29 12.101 4.845 -7.570
372 HB3 LYS 29 2HB LYS 29 12.636 4.426 -5.940
373 HG2 LYS 29 1HG LYS 29 10.429 4.387 -5.082
374 HG3 LYS 29 2HG LYS 29 9.764 5.261 -6.472
375 HD2 LYS 29 1HD LYS 29 11.015 2.512 -6.741
376 HD3 LYS 29 2HD LYS 29 9.294 2.755 -6.369
377 HE2 LYS 29 1HE LYS 29 9.026 4.100 -8.428
378 HE3 LYS 29 2HE LYS 29 10.738 3.849 -8.820
379 HZ1 LYS 29 3HZ LYS 29 10.317 1.505 -8.988
380 HZ2 LYS 29 1HZ LYS 29 9.292 2.322 -9.996
381 HZ3 LYS 29 2HZ LYS 29 8.733 1.699 -8.572
382 H THR 30 H THR 30 13.519 8.184 -4.924
383 HA THR 30 HA THR 30 15.687 8.355 -6.898
384 HB THR 30 HB THR 30 16.601 10.072 -5.259
385 HG1 THR 30 HG1 THR 30 15.051 10.615 -3.564
386 HG21 THR 30 1HG2 THR 30 14.842 11.751 -5.677
387 HG22 THR 30 2HG2 THR 30 13.619 10.496 -5.925
388 HG23 THR 30 3HG2 THR 30 14.930 10.709 -7.104
389 HXT THR 30 H02 THR 30 15.667 7.855 -3.635
Start of MODEL 24
1 H1 GLY 1 3H0 GLY 1 1.979 -0.396 0.274
2 H2 GLY 1 2H0 GLY 1 0.732 -0.615 -0.785
3 H3 GLY 1 1H0 GLY 1 2.282 -0.873 -1.276
4 HA2 GLY 1 1HA GLY 1 1.146 1.735 -0.485
5 HA3 GLY 1 2HA GLY 1 2.825 1.462 -0.992
6 H ILE 2 H ILE 2 0.633 3.175 -2.272
7 HA ILE 2 HA ILE 2 -0.589 1.788 -4.365
8 HB ILE 2 HB ILE 2 -1.197 4.055 -3.530
9 HG12 ILE 2 1HG1 ILE 2 -0.801 3.865 -6.529
10 HG13 ILE 2 2HG1 ILE 2 -2.061 3.029 -5.624
11 HG21 ILE 2 1HG2 ILE 2 -0.089 6.068 -4.309
12 HG22 ILE 2 2HG2 ILE 2 1.153 5.043 -3.573
13 HG23 ILE 2 3HG2 ILE 2 1.012 5.143 -5.348
14 HD11 ILE 2 3HD1 ILE 2 -2.959 5.009 -6.672
15 HD12 ILE 2 1HD1 ILE 2 -2.978 5.218 -4.907
16 HD13 ILE 2 2HD1 ILE 2 -1.741 6.036 -5.896
17 H VAL 3 H VAL 3 2.631 3.296 -4.418
18 HA VAL 3 HA VAL 3 3.050 3.000 -7.203
19 HB VAL 3 HB VAL 3 5.153 2.872 -4.998
20 HG11 VAL 3 1HG1 VAL 3 6.640 3.840 -6.746
21 HG12 VAL 3 2HG1 VAL 3 6.017 2.249 -7.226
22 HG13 VAL 3 3HG1 VAL 3 5.319 3.726 -7.927
23 HG21 VAL 3 3HG2 VAL 3 3.865 5.286 -6.355
24 HG22 VAL 3 1HG2 VAL 3 3.785 4.861 -4.627
25 HG23 VAL 3 2HG2 VAL 3 5.328 5.361 -5.349
26 H GLU 4 H GLU 4 3.677 0.782 -4.466
27 HA GLU 4 HA GLU 4 4.947 -1.219 -6.032
28 HB2 GLU 4 1HB GLU 4 5.027 -1.015 -3.539
29 HB3 GLU 4 2HB GLU 4 3.337 -1.523 -3.470
30 HG2 GLU 4 1HG GLU 4 4.707 -3.417 -2.982
31 HG3 GLU 4 2HG GLU 4 3.976 -3.661 -4.573
32 HE2 GLU 4 HE2 GLU 4 7.085 -4.508 -5.555
33 H GLN 5 H GLN 5 1.502 -0.640 -5.161
34 HA GLN 5 HA GLN 5 0.552 -3.132 -6.157
35 HB2 GLN 5 1HB GLN 5 -0.995 -0.525 -6.332
36 HB3 GLN 5 2HB GLN 5 -1.637 -2.161 -6.254
37 HG2 GLN 5 1HG GLN 5 -0.517 -0.447 -4.059
38 HG3 GLN 5 2HG GLN 5 -2.051 -1.298 -4.126
39 HE21 GLN 5 2HE2 GLN 5 -1.614 -3.847 -4.424
40 HE22 GLN 5 1HE2 GLN 5 -0.505 -4.481 -3.231
41 H CYS 6 H CYS 6 1.014 0.035 -7.773
42 HA CYS 6 HA CYS 6 0.041 -0.920 -10.327
43 HB2 CYS 6 1HB CYS 6 1.559 1.512 -9.370
44 HB3 CYS 6 2HB CYS 6 1.320 1.205 -11.098
45 H CYS 7 H CYS 7 3.202 -0.881 -8.755
46 HA CYS 7 HA CYS 7 4.726 -1.280 -11.148
47 HB2 CYS 7 1HB CYS 7 5.580 -0.472 -8.908
48 HB3 CYS 7 2HB CYS 7 5.414 -2.124 -8.309
49 H THR 8 H THR 8 3.565 -3.534 -8.593
50 HA THR 8 HA THR 8 4.597 -5.797 -10.147
51 HB THR 8 HB THR 8 4.766 -5.530 -7.595
52 HG1 THR 8 HG1 THR 8 4.548 -7.794 -7.363
53 HG21 THR 8 1HG2 THR 8 1.988 -6.751 -7.627
54 HG22 THR 8 2HG2 THR 8 2.271 -5.026 -7.302
55 HG23 THR 8 3HG2 THR 8 2.958 -6.258 -6.224
56 H SER 9 H SER 9 1.477 -4.237 -9.742
57 HA SER 9 HA SER 9 0.351 -6.428 -11.405
58 HB2 SER 9 1HB SER 9 -0.222 -6.728 -8.911
59 HB3 SER 9 2HB SER 9 -1.182 -5.240 -9.040
60 HG SER 9 HG SER 9 -2.249 -7.385 -9.427
61 H ILE 10 H ILE 10 -2.207 -5.560 -11.735
62 HA ILE 10 HA ILE 10 -1.506 -3.699 -13.811
63 HB ILE 10 HB ILE 10 -4.206 -4.815 -12.975
64 HG12 ILE 10 1HG1 ILE 10 -2.639 -6.548 -13.672
65 HG13 ILE 10 2HG1 ILE 10 -3.926 -6.348 -14.859
66 HG21 ILE 10 1HG2 ILE 10 -4.940 -4.145 -15.295
67 HG22 ILE 10 2HG2 ILE 10 -4.644 -2.782 -14.203
68 HG23 ILE 10 3HG2 ILE 10 -3.437 -3.200 -15.438
69 HD11 ILE 10 3HD1 ILE 10 -2.350 -5.031 -16.292
70 HD12 ILE 10 1HD1 ILE 10 -1.072 -5.333 -15.116
71 HD13 ILE 10 2HD1 ILE 10 -1.806 -6.687 -15.992
72 H CYS 11 H CYS 11 -1.422 -1.646 -13.862
73 HA CYS 11 HA CYS 11 -2.738 -0.063 -11.729
74 HB2 CYS 11 1HB CYS 11 -0.268 0.120 -12.506
75 HB3 CYS 11 2HB CYS 11 -0.922 0.938 -13.917
76 H SER 12 H SER 12 -4.883 -0.312 -12.476
77 HA SER 12 HA SER 12 -5.639 0.329 -15.214
78 HB2 SER 12 1HB SER 12 -7.932 0.138 -14.333
79 HB3 SER 12 2HB SER 12 -6.936 -1.223 -13.769
80 HG SER 12 HG SER 12 -7.923 -0.498 -11.966
81 H LEU 13 H LEU 13 -7.380 2.114 -15.534
82 HA LEU 13 HA LEU 13 -6.242 4.634 -14.925
83 HB2 LEU 13 1HB LEU 13 -8.172 5.601 -15.911
84 HB3 LEU 13 2HB LEU 13 -7.782 4.142 -16.807
85 HG LEU 13 HG LEU 13 -9.653 3.154 -15.081
86 HD11 LEU 13 1HD1 LEU 13 -10.457 6.034 -15.695
87 HD12 LEU 13 2HD1 LEU 13 -10.140 5.349 -14.082
88 HD13 LEU 13 3HD1 LEU 13 -11.528 4.781 -15.028
89 HD21 LEU 13 3HD2 LEU 13 -11.225 3.333 -16.968
90 HD22 LEU 13 1HD2 LEU 13 -9.605 2.840 -17.502
91 HD23 LEU 13 2HD2 LEU 13 -10.153 4.518 -17.749
92 H TYR 14 H TYR 14 -8.491 2.643 -13.096
93 HA TYR 14 HA TYR 14 -9.430 4.741 -11.363
94 HB2 TYR 14 1HB TYR 14 -9.220 1.787 -10.729
95 HB3 TYR 14 2HB TYR 14 -10.361 2.958 -10.058
96 HD1 TYR 14 HD1 TYR 14 -12.009 4.081 -11.812
97 HD2 TYR 14 HD2 TYR 14 -9.838 0.439 -12.539
98 HE1 TYR 14 HE1 TYR 14 -13.607 3.486 -13.639
99 HE2 TYR 14 HE2 TYR 14 -11.438 -0.144 -14.371
100 HH TYR 14 HH TYR 14 -13.352 0.454 -15.490
101 H GLN 15 H GLN 15 -6.735 2.416 -11.272
102 HA GLN 15 HA GLN 15 -5.867 3.068 -8.599
103 HB2 GLN 15 1HB GLN 15 -4.311 2.001 -10.988
104 HB3 GLN 15 2HB GLN 15 -3.720 2.034 -9.328
105 HG2 GLN 15 1HG GLN 15 -6.279 0.563 -9.988
106 HG3 GLN 15 2HG GLN 15 -4.707 -0.167 -10.334
107 HE21 GLN 15 2HE2 GLN 15 -4.528 -1.733 -8.865
108 HE22 GLN 15 1HE2 GLN 15 -4.639 -1.486 -7.138
109 H LEU 16 H LEU 16 -5.147 4.246 -11.871
110 HA LEU 16 HA LEU 16 -3.092 6.076 -11.109
111 HB2 LEU 16 1HB LEU 16 -4.935 5.908 -13.490
112 HB3 LEU 16 2HB LEU 16 -3.689 7.152 -13.345
113 HG LEU 16 HG LEU 16 -3.034 4.200 -13.118
114 HD11 LEU 16 1HD1 LEU 16 -4.115 4.572 -15.292
115 HD12 LEU 16 2HD1 LEU 16 -2.394 4.190 -15.450
116 HD13 LEU 16 3HD1 LEU 16 -2.948 5.870 -15.642
117 HD21 LEU 16 3HD2 LEU 16 -0.791 4.970 -13.786
118 HD22 LEU 16 1HD2 LEU 16 -1.329 5.773 -12.304
119 HD23 LEU 16 2HD2 LEU 16 -1.377 6.644 -13.853
120 H GLU 17 H GLU 17 -6.647 6.451 -11.293
121 HA GLU 17 HA GLU 17 -6.730 9.277 -10.931
122 HB2 GLU 17 1HB GLU 17 -8.591 7.011 -10.214
123 HB3 GLU 17 2HB GLU 17 -8.941 8.647 -9.661
124 HG2 GLU 17 1HG GLU 17 -8.422 8.111 -12.573
125 HG3 GLU 17 2HG GLU 17 -10.006 7.798 -11.857
126 HE2 GLU 17 HE2 GLU 17 -11.237 9.268 -11.805
127 H ASN 18 H ASN 18 -6.152 6.671 -8.602
128 HA ASN 18 HA ASN 18 -6.649 8.244 -6.263
129 HB2 ASN 18 1HB ASN 18 -4.951 5.773 -6.668
130 HB3 ASN 18 2HB ASN 18 -5.319 6.480 -5.094
131 HD21 ASN 18 2HD2 ASN 18 -5.999 3.862 -6.455
132 HD22 ASN 18 1HD2 ASN 18 -7.729 3.738 -6.254
133 H TYR 19 H TYR 19 -3.870 8.097 -8.410
134 HA TYR 19 HA TYR 19 -1.928 9.200 -6.534
135 HB2 TYR 19 1HB TYR 19 -2.128 9.080 -9.539
136 HB3 TYR 19 2HB TYR 19 -0.786 9.878 -8.753
137 HD1 TYR 19 HD2 TYR 19 -2.434 6.582 -9.256
138 HD2 TYR 19 HD1 TYR 19 1.045 8.640 -7.815
139 HE1 TYR 19 HE2 TYR 19 -1.206 4.422 -9.148
140 HE2 TYR 19 HE1 TYR 19 2.270 6.473 -7.710
141 HH TYR 19 HH TYR 19 2.207 4.227 -8.188
142 H CYS 20 H CYS 20 -4.513 10.487 -8.552
143 HA CYS 20 HA CYS 20 -3.499 13.208 -8.636
144 HB2 CYS 20 1HB CYS 20 -6.280 12.059 -9.079
145 HB3 CYS 20 2HB CYS 20 -5.824 13.733 -9.389
146 H ASN 21 H ASN 21 -3.853 14.849 -7.191
147 HA ASN 21 HA ASN 21 -5.903 14.532 -5.104
148 HB2 ASN 21 1HB ASN 21 -3.811 13.410 -4.201
149 HB3 ASN 21 2HB ASN 21 -2.994 14.976 -4.280
150 HD21 ASN 21 2HD2 ASN 21 -5.481 13.063 -2.745
151 HD22 ASN 21 1HD2 ASN 21 -5.764 14.159 -1.414
152 HXT ASN 21 H02 ASN 21 -4.243 17.981 -5.757
153 H1 PHE 1 3H0 PHE 1 -8.768 2.170 -23.253
154 H2 PHE 1 2H0 PHE 1 -9.680 1.755 -21.943
155 H3 PHE 1 1H0 PHE 1 -9.166 3.313 -22.131
156 HA PHE 1 HA PHE 1 -6.869 2.639 -21.882
157 HB2 PHE 1 1HB PHE 1 -8.481 3.249 -19.937
158 HB3 PHE 1 2HB PHE 1 -8.480 1.519 -19.570
159 HD1 PHE 1 HD2 PHE 1 -6.332 4.563 -19.847
160 HD2 PHE 1 HD1 PHE 1 -6.608 0.503 -18.431
161 HE1 PHE 1 HE2 PHE 1 -4.209 4.862 -18.581
162 HE2 PHE 1 HE1 PHE 1 -4.479 0.801 -17.166
163 HZ PHE 1 HZ PHE 1 -3.274 2.976 -17.253
164 H VAL 2 H VAL 2 -5.387 0.851 -21.151
165 HA VAL 2 HA VAL 2 -6.490 -1.857 -21.720
166 HB VAL 2 HB VAL 2 -5.375 -0.985 -23.804
167 HG11 VAL 2 1HG1 VAL 2 -3.699 0.505 -22.743
168 HG12 VAL 2 2HG1 VAL 2 -2.827 -0.920 -22.124
169 HG13 VAL 2 3HG1 VAL 2 -2.947 -0.636 -23.873
170 HG21 VAL 2 3HG2 VAL 2 -5.388 -3.417 -23.271
171 HG22 VAL 2 1HG2 VAL 2 -3.973 -2.930 -24.224
172 HG23 VAL 2 2HG2 VAL 2 -3.798 -3.237 -22.483
173 H ASN 3 H ASN 3 -5.468 -3.493 -20.465
174 HA ASN 3 HA ASN 3 -4.490 -2.532 -17.950
175 HB2 ASN 3 1HB ASN 3 -4.107 -4.808 -17.329
176 HB3 ASN 3 2HB ASN 3 -5.657 -4.749 -18.196
177 HD21 ASN 3 2HD2 ASN 3 -5.714 -5.666 -20.349
178 HD22 ASN 3 1HD2 ASN 3 -4.491 -6.809 -20.839
179 H GLN 4 H GLN 4 -2.506 -2.309 -17.130
180 HA GLN 4 HA GLN 4 -0.201 -3.510 -18.397
181 HB2 GLN 4 1HB GLN 4 0.962 -1.288 -18.746
182 HB3 GLN 4 2HB GLN 4 -0.308 -1.684 -19.905
183 HG2 GLN 4 1HG GLN 4 -1.867 -0.248 -18.464
184 HG3 GLN 4 2HG GLN 4 -0.411 0.345 -17.678
185 HE21 GLN 4 2HE2 GLN 4 -2.609 1.072 -19.926
186 HE22 GLN 4 1HE2 GLN 4 -1.635 2.033 -21.021
187 H HIS 5 H HIS 5 1.371 -3.781 -16.951
188 HA HIS 5 HA HIS 5 1.149 -2.723 -14.207
189 HB2 HIS 5 1HB HIS 5 3.511 -4.052 -15.620
190 HB3 HIS 5 2HB HIS 5 3.374 -3.734 -13.883
191 HD1 HIS 5 HD1 HIS 5 0.799 -4.841 -13.025
192 HD2 HIS 5 HD2 HIS 5 3.043 -6.716 -15.934
193 HE1 HIS 5 HE1 HIS 5 0.024 -7.284 -13.124
194 HE2 HIS 5 HE2 HIS 5 1.425 -8.397 -14.893
195 H LEU 6 H LEU 6 2.318 -0.920 -13.397
196 HA LEU 6 HA LEU 6 3.963 0.609 -15.380
197 HB2 LEU 6 1HB LEU 6 1.688 1.698 -13.695
198 HB3 LEU 6 2HB LEU 6 2.822 2.677 -14.600
199 HG LEU 6 HG LEU 6 0.825 0.770 -15.840
200 HD11 LEU 6 1HD1 LEU 6 -0.223 2.705 -14.704
201 HD12 LEU 6 2HD1 LEU 6 -0.393 2.799 -16.462
202 HD13 LEU 6 3HD1 LEU 6 0.816 3.800 -15.627
203 HD21 LEU 6 3HD2 LEU 6 1.371 1.946 -17.929
204 HD22 LEU 6 1HD2 LEU 6 2.802 1.146 -17.270
205 HD23 LEU 6 2HD2 LEU 6 2.585 2.906 -17.084
206 H CYS 7 H CYS 7 5.894 1.032 -14.431
207 HA CYS 7 HA CYS 7 5.882 1.496 -11.475
208 HB2 CYS 7 1HB CYS 7 6.596 -0.837 -12.303
209 HB3 CYS 7 2HB CYS 7 8.067 -0.048 -12.880
210 H GLY 8 H GLY 8 8.125 1.673 -14.294
211 HA2 GLY 8 1HA GLY 8 9.567 3.886 -13.044
212 HA3 GLY 8 2HA GLY 8 9.894 3.153 -14.622
213 H SER 9 H SER 9 10.075 5.054 -15.802
214 HA SER 9 HA SER 9 8.512 7.341 -15.682
215 HB2 SER 9 1HB SER 9 9.259 6.387 -18.394
216 HB3 SER 9 2HB SER 9 9.682 7.904 -17.554
217 HG SER 9 HG SER 9 11.543 6.715 -17.632
218 H HIS 10 H HIS 10 7.601 4.261 -17.076
219 HA HIS 10 HA HIS 10 5.474 5.045 -18.779
220 HB2 HIS 10 1HB HIS 10 6.208 2.622 -17.177
221 HB3 HIS 10 2HB HIS 10 4.553 2.740 -17.752
222 HD1 HIS 10 HD1 HIS 10 4.074 2.553 -20.304
223 HD2 HIS 10 HD2 HIS 10 8.112 2.188 -19.224
224 HE1 HIS 10 HE1 HIS 10 5.303 1.651 -22.342
225 HE2 HIS 10 HE2 HIS 10 7.741 1.443 -21.686
226 H LEU 11 H LEU 11 5.579 4.713 -15.225
227 HA LEU 11 HA LEU 11 2.725 4.833 -14.851
228 HB2 LEU 11 1HB LEU 11 4.358 3.939 -13.215
229 HB3 LEU 11 2HB LEU 11 5.046 5.541 -13.022
230 HG LEU 11 HG LEU 11 3.060 6.338 -11.897
231 HD11 LEU 11 1HD1 LEU 11 1.926 3.542 -12.271
232 HD12 LEU 11 2HD1 LEU 11 1.332 5.024 -13.061
233 HD13 LEU 11 3HD1 LEU 11 1.209 4.849 -11.304
234 HD21 LEU 11 3HD2 LEU 11 4.870 5.096 -10.681
235 HD22 LEU 11 1HD2 LEU 11 3.894 3.615 -10.815
236 HD23 LEU 11 2HD2 LEU 11 3.286 5.007 -9.889
237 H VAL 12 H VAL 12 5.337 7.242 -14.855
238 HA VAL 12 HA VAL 12 3.711 9.472 -14.115
239 HB VAL 12 HB VAL 12 6.297 9.391 -15.751
240 HG11 VAL 12 1HG1 VAL 12 5.132 11.559 -15.907
241 HG12 VAL 12 2HG1 VAL 12 5.064 11.654 -14.135
242 HG13 VAL 12 3HG1 VAL 12 6.632 11.696 -14.973
243 HG21 VAL 12 3HG2 VAL 12 5.828 9.587 -12.744
244 HG22 VAL 12 1HG2 VAL 12 6.632 8.263 -13.616
245 HG23 VAL 12 2HG2 VAL 12 7.396 9.862 -13.541
246 H GLU 13 H GLU 13 4.677 8.104 -17.283
247 HA GLU 13 HA GLU 13 3.476 10.165 -18.860
248 HB2 GLU 13 1HB GLU 13 4.135 7.266 -19.438
249 HB3 GLU 13 2HB GLU 13 3.483 8.373 -20.658
250 HG2 GLU 13 1HG GLU 13 6.084 8.766 -19.137
251 HG3 GLU 13 2HG GLU 13 5.934 8.198 -20.804
252 HE2 GLU 13 HE2 GLU 13 6.118 11.947 -20.114
253 H ALA 14 H ALA 14 2.153 7.251 -17.356
254 HA ALA 14 HA ALA 14 -0.331 7.359 -18.843
255 HB1 ALA 14 3HB ALA 14 -1.075 5.686 -17.242
256 HB2 ALA 14 1HB ALA 14 0.571 5.302 -17.799
257 HB3 ALA 14 2HB ALA 14 0.323 6.033 -16.194
258 H LEU 15 H LEU 15 0.887 8.694 -15.781
259 HA LEU 15 HA LEU 15 -1.666 9.481 -14.777
260 HB2 LEU 15 1HB LEU 15 1.170 10.341 -14.235
261 HB3 LEU 15 2HB LEU 15 -0.180 11.207 -13.509
262 HG LEU 15 HG LEU 15 0.275 8.236 -13.148
263 HD11 LEU 15 1HD1 LEU 15 2.122 9.556 -12.161
264 HD12 LEU 15 2HD1 LEU 15 1.124 8.742 -10.939
265 HD13 LEU 15 3HD1 LEU 15 0.927 10.484 -11.226
266 HD21 LEU 15 3HD2 LEU 15 -1.343 8.424 -11.388
267 HD22 LEU 15 1HD2 LEU 15 -2.059 9.034 -12.874
268 HD23 LEU 15 2HD2 LEU 15 -1.487 10.180 -11.645
269 H TYR 16 H TYR 16 0.528 11.056 -17.085
270 HA TYR 16 HA TYR 16 -0.706 13.637 -17.032
271 HB2 TYR 16 1HB TYR 16 0.640 12.053 -19.243
272 HB3 TYR 16 2HB TYR 16 -0.082 13.634 -19.541
273 HD1 TYR 16 HD1 TYR 16 0.774 15.673 -18.280
274 HD2 TYR 16 HD2 TYR 16 2.827 11.903 -18.260
275 HE1 TYR 16 HE1 TYR 16 2.866 16.809 -17.529
276 HE2 TYR 16 HE2 TYR 16 4.921 13.045 -17.531
277 HH TYR 16 HH TYR 16 5.066 16.552 -16.941
278 H LEU 17 H LEU 17 -1.597 10.614 -18.700
279 HA LEU 17 HA LEU 17 -3.713 11.844 -20.223
280 HB2 LEU 17 1HB LEU 17 -3.333 8.955 -19.388
281 HB3 LEU 17 2HB LEU 17 -4.445 9.544 -20.611
282 HG LEU 17 HG LEU 17 -1.418 9.757 -20.797
283 HD11 LEU 17 1HD1 LEU 17 -1.568 7.858 -22.351
284 HD12 LEU 17 2HD1 LEU 17 -3.320 7.741 -22.063
285 HD13 LEU 17 3HD1 LEU 17 -2.170 7.408 -20.743
286 HD21 LEU 17 3HD2 LEU 17 -3.612 10.165 -22.875
287 HD22 LEU 17 1HD2 LEU 17 -1.864 10.163 -23.205
288 HD23 LEU 17 2HD2 LEU 17 -2.566 11.425 -22.179
289 H VAL 18 H VAL 18 -3.643 9.987 -17.166
290 HA VAL 18 HA VAL 18 -6.551 9.923 -17.057
291 HB VAL 18 HB VAL 18 -4.484 9.166 -14.942
292 HG11 VAL 18 1HG1 VAL 18 -6.352 7.781 -14.009
293 HG12 VAL 18 2HG1 VAL 18 -6.675 9.522 -13.914
294 HG13 VAL 18 3HG1 VAL 18 -7.464 8.542 -15.173
295 HG21 VAL 18 3HG2 VAL 18 -5.105 6.822 -15.763
296 HG22 VAL 18 1HG2 VAL 18 -5.867 7.605 -17.160
297 HG23 VAL 18 2HG2 VAL 18 -4.121 7.795 -16.866
298 H CYS 19 H CYS 19 -3.986 11.793 -15.394
299 HA CYS 19 HA CYS 19 -6.005 13.157 -13.788
300 HB2 CYS 19 1HB CYS 19 -3.253 12.841 -13.594
301 HB3 CYS 19 2HB CYS 19 -3.459 14.547 -14.025
302 H GLY 20 H GLY 20 -4.586 13.483 -16.975
303 HA2 GLY 20 1HA GLY 20 -5.092 14.977 -18.644
304 HA3 GLY 20 2HA GLY 20 -6.503 15.467 -17.692
305 H GLU 21 H GLU 21 -6.303 17.619 -18.184
306 HA GLU 21 HA GLU 21 -3.885 19.120 -17.908
307 HB2 GLU 21 1HB GLU 21 -6.794 19.981 -17.961
308 HB3 GLU 21 2HB GLU 21 -5.415 21.086 -18.063
309 HG2 GLU 21 1HG GLU 21 -4.664 19.937 -20.132
310 HG3 GLU 21 2HG GLU 21 -6.090 18.890 -20.056
311 HE2 GLU 21 HE2 GLU 21 -6.808 21.573 -22.263
312 H ARG 22 H ARG 22 -5.790 17.820 -15.409
313 HA ARG 22 HA ARG 22 -5.732 20.016 -13.537
314 HB2 ARG 22 1HB ARG 22 -5.776 17.009 -13.112
315 HB3 ARG 22 2HB ARG 22 -5.956 18.197 -11.822
316 HG2 ARG 22 1HG ARG 22 -8.002 19.052 -12.818
317 HG3 ARG 22 2HG ARG 22 -7.840 17.940 -14.193
318 HD2 ARG 22 1HD ARG 22 -8.014 17.011 -11.308
319 HD3 ARG 22 2HD ARG 22 -9.435 17.207 -12.355
320 HE ARG 22 HE ARG 22 -7.623 15.618 -13.791
321 HH11 ARG 22 1HH1 ARG 22 -9.359 15.294 -10.720
322 HH12 ARG 22 2HH1 ARG 22 -9.452 13.557 -10.862
323 HH21 ARG 22 1HH2 ARG 22 -7.850 13.402 -13.908
324 HH22 ARG 22 2HH2 ARG 22 -8.599 12.510 -12.605
325 H GLY 23 H GLY 23 -3.343 17.696 -14.623
326 HA2 GLY 23 1HA GLY 23 -1.052 17.678 -14.143
327 HA3 GLY 23 2HA GLY 23 -1.294 18.979 -12.953
328 H PHE 24 H PHE 24 0.339 16.897 -12.220
329 HA PHE 24 HA PHE 24 -1.138 15.669 -10.011
330 HB2 PHE 24 1HB PHE 24 -0.570 13.374 -10.600
331 HB3 PHE 24 2HB PHE 24 -1.571 14.079 -11.870
332 HD1 PHE 24 HD1 PHE 24 -0.621 14.658 -14.063
333 HD2 PHE 24 HD2 PHE 24 1.742 12.784 -11.013
334 HE1 PHE 24 HE1 PHE 24 1.111 14.101 -15.746
335 HE2 PHE 24 HE2 PHE 24 3.469 12.199 -12.686
336 HZ PHE 24 HZ PHE 24 3.161 12.867 -15.078
337 H PHE 25 H PHE 25 0.593 14.153 -8.858
338 HA PHE 25 HA PHE 25 3.319 15.288 -9.229
339 HB2 PHE 25 1HB PHE 25 3.635 15.512 -6.872
340 HB3 PHE 25 2HB PHE 25 2.124 16.348 -7.244
341 HD1 PHE 25 HD2 PHE 25 -0.090 15.148 -6.741
342 HD2 PHE 25 HD1 PHE 25 3.718 13.698 -5.345
343 HE1 PHE 25 HE2 PHE 25 -1.252 13.711 -5.078
344 HE2 PHE 25 HE1 PHE 25 2.558 12.284 -3.653
345 HZ PHE 25 HZ PHE 25 0.066 12.279 -3.526
346 H TYR 26 H TYR 26 4.959 13.781 -8.277
347 HA TYR 26 HA TYR 26 4.035 11.051 -7.705
348 HB2 TYR 26 1HB TYR 26 4.213 11.075 -10.188
349 HB3 TYR 26 2HB TYR 26 5.874 11.674 -10.060
350 HD1 TYR 26 HD1 TYR 26 3.783 8.855 -8.635
351 HD2 TYR 26 HD2 TYR 26 7.566 10.059 -10.309
352 HE1 TYR 26 HE1 TYR 26 4.627 6.518 -8.435
353 HE2 TYR 26 HE2 TYR 26 8.383 7.704 -10.133
354 HH TYR 26 HH TYR 26 7.815 5.514 -9.621
355 H THR 27 H THR 27 5.803 9.838 -6.725
356 HA THR 27 HA THR 27 8.021 11.620 -5.795
357 HB THR 27 HB THR 27 8.108 10.182 -3.780
358 HG1 THR 27 HG1 THR 27 6.949 8.422 -4.981
359 HG21 THR 27 1HG2 THR 27 5.321 11.315 -4.256
360 HG22 THR 27 2HG2 THR 27 6.746 12.291 -3.819
361 HG23 THR 27 3HG2 THR 27 6.122 11.066 -2.689
362 HA PRO 28 HA PRO 28 9.956 8.172 -8.122
363 HB2 PRO 28 1HB PRO 28 11.962 9.581 -9.306
364 HB3 PRO 28 2HB PRO 28 10.289 9.607 -9.950
365 HG2 PRO 28 1HG PRO 28 11.660 11.590 -8.155
366 HG3 PRO 28 2HG PRO 28 10.730 11.882 -9.658
367 HD2 PRO 28 1HD PRO 28 9.638 12.160 -7.183
368 HD3 PRO 28 2HD PRO 28 8.678 11.568 -8.577
369 H LYS 29 H LYS 29 12.032 7.132 -7.745
370 HA LYS 29 HA LYS 29 13.682 8.296 -5.558
371 HB2 LYS 29 1HB LYS 29 12.412 5.525 -5.576
372 HB3 LYS 29 2HB LYS 29 13.695 6.033 -4.462
373 HG2 LYS 29 1HG LYS 29 12.269 7.727 -3.489
374 HG3 LYS 29 2HG LYS 29 11.006 7.415 -4.688
375 HD2 LYS 29 1HD LYS 29 10.707 5.141 -3.795
376 HD3 LYS 29 2HD LYS 29 11.963 5.463 -2.579
377 HE2 LYS 29 1HE LYS 29 9.718 5.806 -1.616
378 HE3 LYS 29 2HE LYS 29 10.627 7.330 -1.671
379 HZ1 LYS 29 3HZ LYS 29 8.525 6.504 -3.599
380 HZ2 LYS 29 1HZ LYS 29 9.411 7.887 -3.721
381 HZ3 LYS 29 2HZ LYS 29 8.380 7.678 -2.448
382 H THR 30 H THR 30 15.623 8.437 -6.439
383 HA THR 30 HA THR 30 16.422 6.604 -8.611
384 HB THR 30 HB THR 30 18.419 8.295 -8.631
385 HG1 THR 30 HG1 THR 30 17.640 10.334 -7.643
386 HG21 THR 30 1HG2 THR 30 16.493 8.377 -10.287
387 HG22 THR 30 2HG2 THR 30 17.068 9.993 -9.855
388 HG23 THR 30 3HG2 THR 30 15.570 9.372 -9.143
389 HXT THR 30 H02 THR 30 18.522 6.015 -5.429
Start of MODEL 25
1 H1 GLY 1 3H0 GLY 1 4.702 -0.801 -2.374
2 H2 GLY 1 2H0 GLY 1 4.802 -0.468 -0.762
3 H3 GLY 1 1H0 GLY 1 3.343 -0.830 -1.443
4 HA2 GLY 1 1HA GLY 1 3.508 1.542 -1.018
5 HA3 GLY 1 2HA GLY 1 4.961 1.575 -2.034
6 H ILE 2 H ILE 2 2.726 3.235 -2.660
7 HA ILE 2 HA ILE 2 0.864 1.922 -4.347
8 HB ILE 2 HB ILE 2 0.636 4.183 -3.216
9 HG12 ILE 2 1HG1 ILE 2 -0.142 3.999 -6.140
10 HG13 ILE 2 2HG1 ILE 2 -0.966 3.186 -4.817
11 HG21 ILE 2 1HG2 ILE 2 1.375 6.203 -4.361
12 HG22 ILE 2 2HG2 ILE 2 2.790 5.180 -4.073
13 HG23 ILE 2 3HG2 ILE 2 2.064 5.260 -5.697
14 HD11 ILE 2 3HD1 ILE 2 -2.230 5.164 -5.407
15 HD12 ILE 2 1HD1 ILE 2 -1.485 5.446 -3.816
16 HD13 ILE 2 2HD1 ILE 2 -0.790 6.198 -5.276
17 H VAL 3 H VAL 3 4.028 3.364 -5.235
18 HA VAL 3 HA VAL 3 3.583 3.107 -8.061
19 HB VAL 3 HB VAL 3 5.381 4.551 -7.384
20 HG11 VAL 3 1HG1 VAL 3 5.920 3.614 -5.177
21 HG12 VAL 3 2HG1 VAL 3 6.667 2.185 -5.941
22 HG13 VAL 3 3HG1 VAL 3 7.389 3.790 -6.146
23 HG21 VAL 3 3HG2 VAL 3 5.786 3.203 -9.469
24 HG22 VAL 3 1HG2 VAL 3 7.281 3.742 -8.670
25 HG23 VAL 3 2HG2 VAL 3 6.739 2.056 -8.506
26 H GLU 4 H GLU 4 4.782 0.903 -5.575
27 HA GLU 4 HA GLU 4 5.636 -1.202 -7.309
28 HB2 GLU 4 1HB GLU 4 6.183 -0.882 -4.870
29 HB3 GLU 4 2HB GLU 4 4.527 -1.346 -4.494
30 HG2 GLU 4 1HG GLU 4 4.949 -3.569 -5.526
31 HG3 GLU 4 2HG GLU 4 6.645 -3.098 -5.730
32 HE2 GLU 4 HE2 GLU 4 6.590 -5.020 -4.454
33 H GLN 5 H GLN 5 2.507 -0.332 -5.839
34 HA GLN 5 HA GLN 5 1.078 -2.701 -6.441
35 HB2 GLN 5 1HB GLN 5 0.390 -0.765 -4.975
36 HB3 GLN 5 2HB GLN 5 0.062 0.161 -6.437
37 HG2 GLN 5 1HG GLN 5 -1.654 -1.489 -7.092
38 HG3 GLN 5 2HG GLN 5 -1.362 -2.359 -5.574
39 HE21 GLN 5 2HE2 GLN 5 -3.827 -1.072 -6.488
40 HE22 GLN 5 1HE2 GLN 5 -4.210 0.158 -5.311
41 H CYS 6 H CYS 6 1.559 0.299 -8.364
42 HA CYS 6 HA CYS 6 0.016 -0.758 -10.599
43 HB2 CYS 6 1HB CYS 6 1.882 1.634 -10.475
44 HB3 CYS 6 2HB CYS 6 0.673 1.300 -11.723
45 H CYS 7 H CYS 7 3.210 -1.179 -9.522
46 HA CYS 7 HA CYS 7 4.345 -1.609 -12.191
47 HB2 CYS 7 1HB CYS 7 5.610 -0.644 -10.245
48 HB3 CYS 7 2HB CYS 7 5.507 -2.218 -9.452
49 H THR 8 H THR 8 3.342 -3.540 -9.317
50 HA THR 8 HA THR 8 4.070 -6.037 -10.656
51 HB THR 8 HB THR 8 4.320 -5.628 -8.153
52 HG1 THR 8 HG1 THR 8 3.561 -7.801 -7.698
53 HG21 THR 8 1HG2 THR 8 1.358 -6.296 -8.058
54 HG22 THR 8 2HG2 THR 8 1.993 -4.649 -7.844
55 HG23 THR 8 3HG2 THR 8 2.438 -5.929 -6.700
56 H SER 9 H SER 9 1.134 -4.132 -10.252
57 HA SER 9 HA SER 9 -0.217 -6.161 -11.943
58 HB2 SER 9 1HB SER 9 -0.946 -6.426 -9.508
59 HB3 SER 9 2HB SER 9 -1.599 -4.774 -9.594
60 HG SER 9 HG SER 9 -3.103 -6.552 -10.072
61 H ILE 10 H ILE 10 -2.526 -4.879 -12.583
62 HA ILE 10 HA ILE 10 -1.381 -2.391 -13.779
63 HB ILE 10 HB ILE 10 -3.844 -4.002 -14.639
64 HG12 ILE 10 1HG1 ILE 10 -2.052 -3.814 -16.762
65 HG13 ILE 10 2HG1 ILE 10 -0.981 -4.031 -15.392
66 HG21 ILE 10 1HG2 ILE 10 -2.513 -1.538 -15.882
67 HG22 ILE 10 2HG2 ILE 10 -3.847 -2.470 -16.600
68 HG23 ILE 10 3HG2 ILE 10 -4.114 -1.578 -15.103
69 HD11 ILE 10 3HD1 ILE 10 -2.276 -6.111 -14.789
70 HD12 ILE 10 1HD1 ILE 10 -3.213 -5.890 -16.286
71 HD13 ILE 10 2HD1 ILE 10 -1.458 -6.187 -16.369
72 H CYS 11 H CYS 11 -1.814 -0.592 -12.745
73 HA CYS 11 HA CYS 11 -4.220 -0.285 -11.103
74 HB2 CYS 11 1HB CYS 11 -2.034 1.607 -12.041
75 HB3 CYS 11 2HB CYS 11 -3.456 2.165 -11.153
76 H SER 12 H SER 12 -6.144 -0.005 -12.019
77 HA SER 12 HA SER 12 -6.476 0.704 -14.818
78 HB2 SER 12 1HB SER 12 -8.888 0.730 -14.211
79 HB3 SER 12 2HB SER 12 -8.085 -0.740 -13.617
80 HG SER 12 HG SER 12 -9.233 0.022 -11.914
81 H LEU 13 H LEU 13 -7.984 2.677 -15.317
82 HA LEU 13 HA LEU 13 -6.623 5.023 -14.568
83 HB2 LEU 13 1HB LEU 13 -8.347 6.239 -15.686
84 HB3 LEU 13 2HB LEU 13 -8.020 4.763 -16.580
85 HG LEU 13 HG LEU 13 -10.153 3.965 -15.057
86 HD11 LEU 13 1HD1 LEU 13 -10.493 6.227 -14.119
87 HD12 LEU 13 2HD1 LEU 13 -11.841 5.761 -15.169
88 HD13 LEU 13 3HD1 LEU 13 -10.612 6.898 -15.764
89 HD21 LEU 13 3HD2 LEU 13 -10.241 5.366 -17.755
90 HD22 LEU 13 1HD2 LEU 13 -11.478 4.266 -17.102
91 HD23 LEU 13 2HD2 LEU 13 -9.857 3.649 -17.476
92 H TYR 14 H TYR 14 -9.334 3.410 -12.969
93 HA TYR 14 HA TYR 14 -10.101 5.621 -11.311
94 HB2 TYR 14 1HB TYR 14 -10.338 2.672 -10.648
95 HB3 TYR 14 2HB TYR 14 -11.365 3.995 -10.084
96 HD1 TYR 14 HD1 TYR 14 -12.833 5.215 -11.844
97 HD2 TYR 14 HD2 TYR 14 -10.827 1.492 -12.647
98 HE1 TYR 14 HE1 TYR 14 -14.341 4.814 -13.794
99 HE2 TYR 14 HE2 TYR 14 -12.322 1.117 -14.613
100 HH TYR 14 HH TYR 14 -14.901 3.402 -15.513
101 H GLN 15 H GLN 15 -7.743 2.984 -10.958
102 HA GLN 15 HA GLN 15 -7.064 3.626 -8.203
103 HB2 GLN 15 1HB GLN 15 -5.618 2.074 -10.378
104 HB3 GLN 15 2HB GLN 15 -5.075 2.168 -8.704
105 HG2 GLN 15 1HG GLN 15 -7.768 1.048 -9.569
106 HG3 GLN 15 2HG GLN 15 -6.319 0.072 -9.284
107 HE21 GLN 15 2HE2 GLN 15 -9.130 0.836 -7.896
108 HE22 GLN 15 1HE2 GLN 15 -8.665 0.797 -6.214
109 H LEU 16 H LEU 16 -5.851 4.436 -11.440
110 HA LEU 16 HA LEU 16 -3.535 5.863 -10.545
111 HB2 LEU 16 1HB LEU 16 -5.124 5.924 -13.112
112 HB3 LEU 16 2HB LEU 16 -3.666 6.889 -12.871
113 HG LEU 16 HG LEU 16 -3.749 3.863 -12.610
114 HD11 LEU 16 1HD1 LEU 16 -4.282 4.520 -14.909
115 HD12 LEU 16 2HD1 LEU 16 -2.682 3.768 -14.804
116 HD13 LEU 16 3HD1 LEU 16 -2.820 5.537 -14.965
117 HD21 LEU 16 3HD2 LEU 16 -1.433 5.828 -12.823
118 HD22 LEU 16 1HD2 LEU 16 -1.280 4.056 -12.852
119 HD23 LEU 16 2HD2 LEU 16 -1.876 4.866 -11.395
120 H GLU 17 H GLU 17 -6.925 6.886 -10.949
121 HA GLU 17 HA GLU 17 -6.542 9.696 -10.856
122 HB2 GLU 17 1HB GLU 17 -8.708 7.837 -9.886
123 HB3 GLU 17 2HB GLU 17 -8.797 9.554 -9.513
124 HG2 GLU 17 1HG GLU 17 -8.489 8.536 -12.338
125 HG3 GLU 17 2HG GLU 17 -10.060 8.743 -11.563
126 HE2 GLU 17 HE2 GLU 17 -8.233 10.002 -13.557
127 H ASN 18 H ASN 18 -6.179 7.308 -8.271
128 HA ASN 18 HA ASN 18 -6.485 9.099 -6.081
129 HB2 ASN 18 1HB ASN 18 -4.851 6.557 -6.331
130 HB3 ASN 18 2HB ASN 18 -5.133 7.419 -4.815
131 HD21 ASN 18 2HD2 ASN 18 -6.002 4.731 -6.093
132 HD22 ASN 18 1HD2 ASN 18 -7.707 4.680 -5.713
133 H TYR 19 H TYR 19 -3.817 8.665 -8.311
134 HA TYR 19 HA TYR 19 -1.744 9.815 -6.638
135 HB2 TYR 19 1HB TYR 19 -2.125 9.403 -9.599
136 HB3 TYR 19 2HB TYR 19 -0.710 10.233 -8.988
137 HD1 TYR 19 HD2 TYR 19 -2.505 6.933 -8.887
138 HD2 TYR 19 HD1 TYR 19 1.160 9.062 -8.137
139 HE1 TYR 19 HE2 TYR 19 -1.295 4.765 -8.608
140 HE2 TYR 19 HE1 TYR 19 2.355 6.891 -7.872
141 HH TYR 19 HH TYR 19 0.726 3.748 -8.174
142 H CYS 20 H CYS 20 -4.439 11.153 -8.390
143 HA CYS 20 HA CYS 20 -3.405 13.892 -7.853
144 HB2 CYS 20 1HB CYS 20 -4.500 14.565 -10.015
145 HB3 CYS 20 2HB CYS 20 -3.032 13.613 -10.168
146 H ASN 21 H ASN 21 -5.032 12.316 -6.224
147 HA ASN 21 HA ASN 21 -7.834 13.013 -6.661
148 HB2 ASN 21 1HB ASN 21 -7.322 10.950 -5.452
149 HB3 ASN 21 2HB ASN 21 -6.400 11.832 -4.230
150 HD21 ASN 21 2HD2 ASN 21 -9.597 11.142 -5.517
151 HD22 ASN 21 1HD2 ASN 21 -10.469 11.753 -4.136
152 HXT ASN 21 H02 ASN 21 -6.426 15.575 -4.103
153 H1 PHE 1 3H0 PHE 1 -8.110 2.814 -23.619
154 H2 PHE 1 2H0 PHE 1 -7.549 4.361 -23.475
155 H3 PHE 1 1H0 PHE 1 -6.895 3.344 -24.597
156 HA PHE 1 HA PHE 1 -5.393 3.559 -22.748
157 HB2 PHE 1 1HB PHE 1 -7.430 4.020 -21.208
158 HB3 PHE 1 2HB PHE 1 -7.576 2.264 -21.086
159 HD1 PHE 1 HD2 PHE 1 -5.480 5.214 -20.266
160 HD2 PHE 1 HD1 PHE 1 -5.974 0.959 -19.772
161 HE1 PHE 1 HE2 PHE 1 -3.802 5.239 -18.426
162 HE2 PHE 1 HE1 PHE 1 -4.296 0.978 -17.931
163 HZ PHE 1 HZ PHE 1 -3.208 3.122 -17.255
164 H VAL 2 H VAL 2 -4.013 1.744 -22.277
165 HA VAL 2 HA VAL 2 -5.105 -0.909 -23.138
166 HB VAL 2 HB VAL 2 -2.312 0.221 -23.724
167 HG11 VAL 2 1HG1 VAL 2 -3.557 -2.481 -24.432
168 HG12 VAL 2 2HG1 VAL 2 -1.977 -1.897 -24.999
169 HG13 VAL 2 3HG1 VAL 2 -2.236 -2.203 -23.271
170 HG21 VAL 2 3HG2 VAL 2 -3.945 1.207 -25.253
171 HG22 VAL 2 1HG2 VAL 2 -2.991 -0.002 -26.128
172 HG23 VAL 2 2HG2 VAL 2 -4.644 -0.393 -25.599
173 H ASN 3 H ASN 3 -4.783 -2.434 -21.554
174 HA ASN 3 HA ASN 3 -3.595 -1.556 -19.062
175 HB2 ASN 3 1HB ASN 3 -4.502 -4.292 -20.025
176 HB3 ASN 3 2HB ASN 3 -3.815 -3.989 -18.419
177 HD21 ASN 3 2HD2 ASN 3 -6.512 -4.925 -19.204
178 HD22 ASN 3 1HD2 ASN 3 -7.622 -3.774 -18.498
179 H GLN 4 H GLN 4 -1.582 -1.625 -18.454
180 HA GLN 4 HA GLN 4 0.143 -3.846 -19.158
181 HB2 GLN 4 1HB GLN 4 1.971 -2.418 -20.047
182 HB3 GLN 4 2HB GLN 4 0.573 -2.409 -21.126
183 HG2 GLN 4 1HG GLN 4 -0.115 -0.203 -20.175
184 HG3 GLN 4 2HG GLN 4 1.346 -0.209 -19.180
185 HE21 GLN 4 2HE2 GLN 4 0.370 -0.627 -22.590
186 HE22 GLN 4 1HE2 GLN 4 1.691 0.310 -23.245
187 H HIS 5 H HIS 5 1.826 -3.864 -17.573
188 HA HIS 5 HA HIS 5 1.201 -2.484 -15.114
189 HB2 HIS 5 1HB HIS 5 3.723 -3.945 -15.992
190 HB3 HIS 5 2HB HIS 5 3.386 -3.382 -14.353
191 HD1 HIS 5 HD1 HIS 5 0.606 -4.274 -13.769
192 HD2 HIS 5 HD2 HIS 5 3.233 -6.647 -15.921
193 HE1 HIS 5 HE1 HIS 5 -0.291 -6.664 -13.691
194 HE2 HIS 5 HE2 HIS 5 1.364 -8.091 -14.946
195 H LEU 6 H LEU 6 2.188 -0.716 -14.152
196 HA LEU 6 HA LEU 6 3.781 1.000 -16.032
197 HB2 LEU 6 1HB LEU 6 1.733 1.692 -13.910
198 HB3 LEU 6 2HB LEU 6 2.831 2.846 -14.602
199 HG LEU 6 HG LEU 6 1.069 3.416 -15.783
200 HD11 LEU 6 1HD1 LEU 6 1.828 1.006 -17.454
201 HD12 LEU 6 2HD1 LEU 6 2.577 2.619 -17.526
202 HD13 LEU 6 3HD1 LEU 6 0.885 2.405 -18.001
203 HD21 LEU 6 3HD2 LEU 6 -0.837 1.951 -16.349
204 HD22 LEU 6 1HD2 LEU 6 -0.475 1.978 -14.613
205 HD23 LEU 6 2HD2 LEU 6 0.019 0.585 -15.600
206 H CYS 7 H CYS 7 5.828 1.063 -15.391
207 HA CYS 7 HA CYS 7 6.351 1.503 -12.490
208 HB2 CYS 7 1HB CYS 7 6.828 -0.897 -13.713
209 HB3 CYS 7 2HB CYS 7 8.355 -0.068 -14.030
210 H GLY 8 H GLY 8 8.244 2.797 -12.096
211 HA2 GLY 8 1HA GLY 8 9.720 4.506 -12.593
212 HA3 GLY 8 2HA GLY 8 10.008 3.670 -14.129
213 H SER 9 H SER 9 10.083 5.371 -15.507
214 HA SER 9 HA SER 9 8.415 7.647 -15.454
215 HB2 SER 9 1HB SER 9 9.201 7.006 -18.137
216 HB3 SER 9 2HB SER 9 9.908 8.200 -17.021
217 HG SER 9 HG SER 9 11.483 6.684 -17.551
218 H HIS 10 H HIS 10 7.733 4.416 -16.769
219 HA HIS 10 HA HIS 10 5.675 5.221 -18.601
220 HB2 HIS 10 1HB HIS 10 6.533 2.709 -17.305
221 HB3 HIS 10 2HB HIS 10 4.813 2.781 -17.677
222 HD1 HIS 10 HD1 HIS 10 4.130 2.215 -20.057
223 HD2 HIS 10 HD2 HIS 10 8.205 3.183 -19.713
224 HE1 HIS 10 HE1 HIS 10 5.186 1.797 -22.325
225 HE2 HIS 10 HE2 HIS 10 7.639 2.384 -22.106
226 H LEU 11 H LEU 11 5.696 4.852 -15.083
227 HA LEU 11 HA LEU 11 2.814 4.886 -14.814
228 HB2 LEU 11 1HB LEU 11 4.397 4.026 -13.103
229 HB3 LEU 11 2HB LEU 11 5.005 5.655 -12.859
230 HG LEU 11 HG LEU 11 2.909 6.368 -11.880
231 HD11 LEU 11 1HD1 LEU 11 1.095 4.760 -11.402
232 HD12 LEU 11 2HD1 LEU 11 1.921 3.537 -12.394
233 HD13 LEU 11 3HD1 LEU 11 1.289 5.028 -13.141
234 HD21 LEU 11 3HD2 LEU 11 4.663 5.199 -10.537
235 HD22 LEU 11 1HD2 LEU 11 3.774 3.672 -10.761
236 HD23 LEU 11 2HD2 LEU 11 3.031 5.020 -9.867
237 H VAL 12 H VAL 12 5.375 7.349 -14.749
238 HA VAL 12 HA VAL 12 3.698 9.568 -14.093
239 HB VAL 12 HB VAL 12 6.288 9.477 -15.726
240 HG11 VAL 12 1HG1 VAL 12 5.036 11.787 -14.201
241 HG12 VAL 12 2HG1 VAL 12 6.589 11.812 -15.064
242 HG13 VAL 12 3HG1 VAL 12 5.075 11.617 -15.970
243 HG21 VAL 12 3HG2 VAL 12 6.638 8.443 -13.545
244 HG22 VAL 12 1HG2 VAL 12 7.379 10.054 -13.539
245 HG23 VAL 12 2HG2 VAL 12 5.816 9.794 -12.731
246 H GLU 13 H GLU 13 4.688 8.088 -17.185
247 HA GLU 13 HA GLU 13 3.455 10.011 -18.904
248 HB2 GLU 13 1HB GLU 13 4.119 7.070 -19.224
249 HB3 GLU 13 2HB GLU 13 3.496 8.059 -20.548
250 HG2 GLU 13 1HG GLU 13 5.439 9.473 -20.523
251 HG3 GLU 13 2HG GLU 13 6.021 8.761 -19.017
252 HE2 GLU 13 HE2 GLU 13 7.790 7.363 -21.802
253 H ALA 14 H ALA 14 2.204 7.104 -17.268
254 HA ALA 14 HA ALA 14 -0.296 7.087 -18.713
255 HB1 ALA 14 3HB ALA 14 -1.003 5.508 -16.962
256 HB2 ALA 14 1HB ALA 14 0.626 5.104 -17.559
257 HB3 ALA 14 2HB ALA 14 0.431 5.924 -15.992
258 H LEU 15 H LEU 15 0.851 8.538 -15.666
259 HA LEU 15 HA LEU 15 -1.717 9.349 -14.735
260 HB2 LEU 15 1HB LEU 15 1.089 10.326 -14.190
261 HB3 LEU 15 2HB LEU 15 -0.321 11.050 -13.421
262 HG LEU 15 HG LEU 15 0.418 8.122 -13.170
263 HD11 LEU 15 1HD1 LEU 15 0.784 10.356 -11.160
264 HD12 LEU 15 2HD1 LEU 15 2.091 9.617 -12.119
265 HD13 LEU 15 3HD1 LEU 15 1.192 8.637 -10.945
266 HD21 LEU 15 3HD2 LEU 15 -1.627 9.841 -11.776
267 HD22 LEU 15 1HD2 LEU 15 -1.209 8.168 -11.335
268 HD23 LEU 15 2HD2 LEU 15 -1.948 8.502 -12.900
269 H TYR 16 H TYR 16 0.522 10.908 -17.012
270 HA TYR 16 HA TYR 16 -0.700 13.482 -17.011
271 HB2 TYR 16 1HB TYR 16 0.811 11.854 -19.044
272 HB3 TYR 16 2HB TYR 16 -0.058 13.294 -19.582
273 HD1 TYR 16 HD1 TYR 16 0.424 15.535 -18.404
274 HD2 TYR 16 HD2 TYR 16 2.980 12.092 -18.043
275 HE1 TYR 16 HE1 TYR 16 2.305 17.001 -17.668
276 HE2 TYR 16 HE2 TYR 16 4.861 13.574 -17.334
277 HH TYR 16 HH TYR 16 5.533 15.719 -16.884
278 H LEU 17 H LEU 17 -1.579 10.483 -18.746
279 HA LEU 17 HA LEU 17 -3.712 11.751 -20.221
280 HB2 LEU 17 1HB LEU 17 -3.285 8.842 -19.489
281 HB3 LEU 17 2HB LEU 17 -4.444 9.453 -20.658
282 HG LEU 17 HG LEU 17 -1.428 9.720 -20.928
283 HD11 LEU 17 1HD1 LEU 17 -1.611 7.898 -22.572
284 HD12 LEU 17 2HD1 LEU 17 -3.350 7.748 -22.227
285 HD13 LEU 17 3HD1 LEU 17 -2.150 7.364 -20.967
286 HD21 LEU 17 3HD2 LEU 17 -1.960 10.229 -23.306
287 HD22 LEU 17 1HD2 LEU 17 -2.625 11.441 -22.195
288 HD23 LEU 17 2HD2 LEU 17 -3.695 10.211 -22.909
289 H VAL 18 H VAL 18 -3.591 9.855 -17.199
290 HA VAL 18 HA VAL 18 -6.477 9.669 -17.039
291 HB VAL 18 HB VAL 18 -4.301 9.142 -14.958
292 HG11 VAL 18 1HG1 VAL 18 -6.111 7.775 -13.831
293 HG12 VAL 18 2HG1 VAL 18 -6.340 9.526 -13.751
294 HG13 VAL 18 3HG1 VAL 18 -7.289 8.553 -14.909
295 HG21 VAL 18 3HG2 VAL 18 -4.136 7.668 -16.890
296 HG22 VAL 18 1HG2 VAL 18 -4.796 6.760 -15.524
297 HG23 VAL 18 2HG2 VAL 18 -5.876 7.312 -16.818
298 H CYS 19 H CYS 19 -4.022 11.712 -15.418
299 HA CYS 19 HA CYS 19 -6.110 13.039 -13.863
300 HB2 CYS 19 1HB CYS 19 -3.188 13.736 -14.263
301 HB3 CYS 19 2HB CYS 19 -4.268 14.430 -13.041
302 H GLY 20 H GLY 20 -4.656 13.396 -17.020
303 HA2 GLY 20 1HA GLY 20 -5.169 14.892 -18.687
304 HA3 GLY 20 2HA GLY 20 -6.538 15.437 -17.705
305 H GLU 21 H GLU 21 -6.213 17.569 -18.340
306 HA GLU 21 HA GLU 21 -3.727 18.958 -18.052
307 HB2 GLU 21 1HB GLU 21 -6.592 19.939 -18.229
308 HB3 GLU 21 2HB GLU 21 -5.175 20.995 -18.302
309 HG2 GLU 21 1HG GLU 21 -4.392 19.845 -20.324
310 HG3 GLU 21 2HG GLU 21 -5.781 18.750 -20.257
311 HE2 GLU 21 HE2 GLU 21 -4.614 21.332 -21.518
312 H ARG 22 H ARG 22 -5.763 17.861 -15.571
313 HA ARG 22 HA ARG 22 -5.558 20.113 -13.755
314 HB2 ARG 22 1HB ARG 22 -5.887 17.134 -13.241
315 HB3 ARG 22 2HB ARG 22 -6.018 18.384 -12.005
316 HG2 ARG 22 1HG ARG 22 -7.962 19.349 -13.108
317 HG3 ARG 22 2HG ARG 22 -7.832 18.173 -14.432
318 HD2 ARG 22 1HD ARG 22 -8.195 17.407 -11.514
319 HD3 ARG 22 2HD ARG 22 -9.538 17.594 -12.662
320 HE ARG 22 HE ARG 22 -7.736 15.853 -13.898
321 HH11 ARG 22 1HH1 ARG 22 -9.566 15.758 -10.861
322 HH12 ARG 22 2HH1 ARG 22 -9.679 14.016 -10.900
323 HH21 ARG 22 1HH2 ARG 22 -7.979 13.665 -13.871
324 HH22 ARG 22 2HH2 ARG 22 -8.800 12.866 -12.552
325 H GLY 23 H GLY 23 -3.409 17.543 -14.761
326 HA2 GLY 23 1HA GLY 23 -1.125 17.370 -14.298
327 HA3 GLY 23 2HA GLY 23 -1.267 18.687 -13.116
328 H PHE 24 H PHE 24 0.252 16.841 -12.182
329 HA PHE 24 HA PHE 24 -1.186 15.586 -9.996
330 HB2 PHE 24 1HB PHE 24 -0.539 13.285 -10.510
331 HB3 PHE 24 2HB PHE 24 -1.585 13.907 -11.784
332 HD1 PHE 24 HD1 PHE 24 -0.659 14.531 -13.998
333 HD2 PHE 24 HD2 PHE 24 1.727 12.652 -10.966
334 HE1 PHE 24 HE1 PHE 24 1.051 13.969 -15.696
335 HE2 PHE 24 HE2 PHE 24 3.426 12.054 -12.658
336 HZ PHE 24 HZ PHE 24 3.096 12.724 -15.049
337 H PHE 25 H PHE 25 0.683 14.185 -8.817
338 HA PHE 25 HA PHE 25 3.306 15.510 -9.330
339 HB2 PHE 25 1HB PHE 25 3.707 15.738 -6.973
340 HB3 PHE 25 2HB PHE 25 2.166 16.521 -7.331
341 HD1 PHE 25 HD1 PHE 25 0.007 15.366 -6.687
342 HD2 PHE 25 HD2 PHE 25 3.861 13.873 -5.483
343 HE1 PHE 25 HE1 PHE 25 -1.088 13.946 -4.963
344 HE2 PHE 25 HE2 PHE 25 2.774 12.456 -3.747
345 HZ PHE 25 HZ PHE 25 0.292 12.485 -3.489
346 H TYR 26 H TYR 26 5.128 14.201 -8.510
347 HA TYR 26 HA TYR 26 4.506 11.365 -7.959
348 HB2 TYR 26 1HB TYR 26 4.633 11.504 -10.429
349 HB3 TYR 26 2HB TYR 26 6.223 12.275 -10.304
350 HD1 TYR 26 HD2 TYR 26 4.338 9.128 -9.584
351 HD2 TYR 26 HD1 TYR 26 8.214 10.961 -9.958
352 HE1 TYR 26 HE2 TYR 26 5.414 6.892 -9.457
353 HE2 TYR 26 HE1 TYR 26 9.286 8.716 -9.830
354 HH TYR 26 HH TYR 26 7.352 5.712 -9.526
355 H THR 27 H THR 27 6.090 10.437 -6.691
356 HA THR 27 HA THR 27 8.201 12.280 -5.737
357 HB THR 27 HB THR 27 8.527 10.531 -3.963
358 HG1 THR 27 HG1 THR 27 7.516 8.911 -5.539
359 HG21 THR 27 1HG2 THR 27 5.618 11.380 -4.293
360 HG22 THR 27 2HG2 THR 27 6.912 12.419 -3.648
361 HG23 THR 27 3HG2 THR 27 6.438 10.943 -2.780
362 HA PRO 28 HA PRO 28 10.813 9.720 -8.417
363 HB2 PRO 28 1HB PRO 28 13.021 11.299 -8.505
364 HB3 PRO 28 2HB PRO 28 11.530 11.729 -9.407
365 HG2 PRO 28 1HG PRO 28 12.435 12.678 -6.696
366 HG3 PRO 28 2HG PRO 28 11.943 13.650 -8.123
367 HD2 PRO 28 1HD PRO 28 10.202 13.088 -6.136
368 HD3 PRO 28 2HD PRO 28 9.678 13.105 -7.858
369 H LYS 29 H LYS 29 13.022 8.707 -8.140
370 HA LYS 29 HA LYS 29 13.866 8.520 -5.292
371 HB2 LYS 29 1HB LYS 29 13.618 6.456 -7.516
372 HB3 LYS 29 2HB LYS 29 14.653 6.213 -6.104
373 HG2 LYS 29 1HG LYS 29 12.744 5.136 -5.550
374 HG3 LYS 29 2HG LYS 29 12.573 6.649 -4.692
375 HD2 LYS 29 1HD LYS 29 11.158 7.249 -6.923
376 HD3 LYS 29 2HD LYS 29 11.012 5.493 -6.994
377 HE2 LYS 29 1HE LYS 29 9.118 6.357 -5.774
378 HE3 LYS 29 2HE LYS 29 10.187 5.542 -4.609
379 HZ1 LYS 29 3HZ LYS 29 10.053 8.473 -5.091
380 HZ2 LYS 29 1HZ LYS 29 11.082 7.746 -4.030
381 HZ3 LYS 29 2HZ LYS 29 9.452 7.691 -3.767
382 H THR 30 H THR 30 15.590 9.870 -5.298
383 HA THR 30 HA THR 30 17.692 9.476 -7.391
384 HB THR 30 HB THR 30 18.184 11.985 -6.858
385 HG1 THR 30 HG1 THR 30 16.529 13.073 -5.866
386 HG21 THR 30 1HG2 THR 30 15.489 11.329 -8.205
387 HG22 THR 30 2HG2 THR 30 17.067 11.219 -9.009
388 HG23 THR 30 3HG2 THR 30 16.462 12.787 -8.455
389 HXT THR 30 H02 THR 30 18.983 8.721 -4.119
Start of MODEL 26
1 H1 GLY 1 3H0 GLY 1 2.147 -0.866 0.034
2 H2 GLY 1 2H0 GLY 1 1.049 -1.431 -1.061
3 H3 GLY 1 1H0 GLY 1 2.621 -1.209 -1.509
4 HA2 GLY 1 1HA GLY 1 0.764 0.926 -0.707
5 HA3 GLY 1 2HA GLY 1 2.450 1.150 -1.220
6 H ILE 2 H ILE 2 0.500 2.532 -2.571
7 HA ILE 2 HA ILE 2 -0.777 1.117 -4.643
8 HB ILE 2 HB ILE 2 -1.349 3.387 -3.764
9 HG12 ILE 2 1HG1 ILE 2 -1.084 3.245 -6.779
10 HG13 ILE 2 2HG1 ILE 2 -2.250 2.309 -5.841
11 HG21 ILE 2 1HG2 ILE 2 0.855 4.408 -5.629
12 HG22 ILE 2 2HG2 ILE 2 -0.257 5.390 -4.657
13 HG23 ILE 2 3HG2 ILE 2 0.964 4.386 -3.854
14 HD11 ILE 2 3HD1 ILE 2 -3.389 4.217 -6.692
15 HD12 ILE 2 1HD1 ILE 2 -3.173 4.480 -4.950
16 HD13 ILE 2 2HD1 ILE 2 -2.126 5.326 -6.120
17 H VAL 3 H VAL 3 2.484 2.560 -4.643
18 HA VAL 3 HA VAL 3 2.812 2.208 -7.468
19 HB VAL 3 HB VAL 3 4.171 3.803 -6.192
20 HG11 VAL 3 1HG1 VAL 3 5.996 3.099 -4.741
21 HG12 VAL 3 2HG1 VAL 3 4.451 2.497 -4.110
22 HG13 VAL 3 3HG1 VAL 3 5.564 1.392 -4.966
23 HG21 VAL 3 3HG2 VAL 3 5.888 1.643 -7.495
24 HG22 VAL 3 1HG2 VAL 3 4.980 2.898 -8.363
25 HG23 VAL 3 2HG2 VAL 3 6.312 3.360 -7.281
26 H GLU 4 H GLU 4 3.339 0.031 -4.689
27 HA GLU 4 HA GLU 4 4.728 -1.963 -6.257
28 HB2 GLU 4 1HB GLU 4 3.094 -2.136 -3.700
29 HB3 GLU 4 2HB GLU 4 3.792 -3.552 -4.483
30 HG2 GLU 4 1HG GLU 4 5.341 -2.988 -2.847
31 HG3 GLU 4 2HG GLU 4 6.033 -2.384 -4.357
32 HE2 GLU 4 HE2 GLU 4 6.587 0.449 -2.606
33 H GLN 5 H GLN 5 1.302 -1.401 -5.367
34 HA GLN 5 HA GLN 5 0.255 -3.703 -6.658
35 HB2 GLN 5 1HB GLN 5 -0.933 -0.964 -6.114
36 HB3 GLN 5 2HB GLN 5 -1.872 -2.317 -6.756
37 HG2 GLN 5 1HG GLN 5 -1.582 -3.599 -4.769
38 HG3 GLN 5 2HG GLN 5 -0.324 -2.517 -4.159
39 HE21 GLN 5 2HE2 GLN 5 -3.705 -3.135 -4.336
40 HE22 GLN 5 1HE2 GLN 5 -4.214 -1.741 -3.413
41 H CYS 6 H CYS 6 0.950 -0.422 -7.913
42 HA CYS 6 HA CYS 6 -0.137 -0.994 -10.529
43 HB2 CYS 6 1HB CYS 6 1.567 1.169 -9.317
44 HB3 CYS 6 2HB CYS 6 1.409 1.060 -11.078
45 H CYS 7 H CYS 7 3.046 -1.499 -9.081
46 HA CYS 7 HA CYS 7 4.310 -1.861 -11.681
47 HB2 CYS 7 1HB CYS 7 5.149 -1.936 -8.832
48 HB3 CYS 7 2HB CYS 7 6.063 -2.960 -9.947
49 H THR 8 H THR 8 3.325 -4.028 -8.975
50 HA THR 8 HA THR 8 4.230 -6.347 -10.523
51 HB THR 8 HB THR 8 4.550 -6.102 -8.011
52 HG1 THR 8 HG1 THR 8 4.581 -8.131 -9.251
53 HG21 THR 8 1HG2 THR 8 2.004 -5.436 -7.725
54 HG22 THR 8 2HG2 THR 8 2.828 -6.411 -6.496
55 HG23 THR 8 3HG2 THR 8 1.767 -7.196 -7.692
56 H SER 9 H SER 9 1.242 -4.631 -10.109
57 HA SER 9 HA SER 9 -0.030 -6.720 -11.772
58 HB2 SER 9 1HB SER 9 -0.606 -7.084 -9.287
59 HB3 SER 9 2HB SER 9 -1.466 -5.530 -9.346
60 HG SER 9 HG SER 9 -2.703 -7.548 -9.794
61 H ILE 10 H ILE 10 -2.530 -5.660 -12.028
62 HA ILE 10 HA ILE 10 -1.766 -3.746 -14.030
63 HB ILE 10 HB ILE 10 -4.477 -4.760 -13.115
64 HG12 ILE 10 1HG1 ILE 10 -2.928 -6.421 -14.139
65 HG13 ILE 10 2HG1 ILE 10 -4.418 -6.177 -15.047
66 HG21 ILE 10 1HG2 ILE 10 -3.809 -2.888 -15.420
67 HG22 ILE 10 2HG2 ILE 10 -5.322 -3.827 -15.323
68 HG23 ILE 10 3HG2 ILE 10 -4.949 -2.622 -14.081
69 HD11 ILE 10 3HD1 ILE 10 -3.248 -4.850 -16.725
70 HD12 ILE 10 1HD1 ILE 10 -1.744 -4.918 -15.783
71 HD13 ILE 10 2HD1 ILE 10 -2.414 -6.396 -16.500
72 H CYS 11 H CYS 11 -1.513 -1.686 -13.951
73 HA CYS 11 HA CYS 11 -2.645 -0.143 -11.694
74 HB2 CYS 11 1HB CYS 11 -0.224 0.016 -12.587
75 HB3 CYS 11 2HB CYS 11 -0.920 0.845 -13.970
76 H SER 12 H SER 12 -4.840 -0.303 -12.316
77 HA SER 12 HA SER 12 -5.728 0.397 -14.987
78 HB2 SER 12 1HB SER 12 -7.973 0.302 -13.976
79 HB3 SER 12 2HB SER 12 -7.004 -1.102 -13.481
80 HG SER 12 HG SER 12 -7.872 -0.337 -11.624
81 H LEU 13 H LEU 13 -7.323 2.252 -15.294
82 HA LEU 13 HA LEU 13 -6.038 4.703 -14.709
83 HB2 LEU 13 1HB LEU 13 -7.957 5.781 -15.655
84 HB3 LEU 13 2HB LEU 13 -7.541 4.361 -16.598
85 HG LEU 13 HG LEU 13 -9.468 3.321 -14.952
86 HD11 LEU 13 1HD1 LEU 13 -9.998 5.490 -13.942
87 HD12 LEU 13 2HD1 LEU 13 -11.342 4.946 -14.959
88 HD13 LEU 13 3HD1 LEU 13 -10.239 6.207 -15.553
89 HD21 LEU 13 3HD2 LEU 13 -10.947 3.502 -16.907
90 HD22 LEU 13 1HD2 LEU 13 -9.298 3.060 -17.390
91 HD23 LEU 13 2HD2 LEU 13 -9.874 4.732 -17.616
92 H TYR 14 H TYR 14 -8.460 2.910 -12.870
93 HA TYR 14 HA TYR 14 -9.253 5.070 -11.170
94 HB2 TYR 14 1HB TYR 14 -9.138 2.145 -10.416
95 HB3 TYR 14 2HB TYR 14 -10.258 3.378 -9.825
96 HD1 TYR 14 HD2 TYR 14 -11.862 4.443 -11.639
97 HD2 TYR 14 HD1 TYR 14 -9.725 0.750 -12.203
98 HE1 TYR 14 HE2 TYR 14 -13.442 3.799 -13.463
99 HE2 TYR 14 HE1 TYR 14 -11.295 0.128 -14.048
100 HH TYR 14 HH TYR 14 -14.025 2.207 -15.006
101 H GLN 15 H GLN 15 -6.652 2.638 -10.993
102 HA GLN 15 HA GLN 15 -5.731 3.385 -8.364
103 HB2 GLN 15 1HB GLN 15 -4.251 2.144 -10.721
104 HB3 GLN 15 2HB GLN 15 -3.600 2.288 -9.089
105 HG2 GLN 15 1HG GLN 15 -6.102 0.720 -9.814
106 HG3 GLN 15 2HG GLN 15 -4.485 0.023 -9.622
107 HE21 GLN 15 2HE2 GLN 15 -3.459 0.166 -7.518
108 HE22 GLN 15 1HE2 GLN 15 -4.461 0.247 -6.086
109 H LEU 16 H LEU 16 -5.004 4.423 -11.694
110 HA LEU 16 HA LEU 16 -2.866 6.178 -10.993
111 HB2 LEU 16 1HB LEU 16 -4.738 6.049 -13.350
112 HB3 LEU 16 2HB LEU 16 -3.432 7.230 -13.246
113 HG LEU 16 HG LEU 16 -2.935 4.251 -12.961
114 HD11 LEU 16 1HD1 LEU 16 -2.814 5.893 -15.500
115 HD12 LEU 16 2HD1 LEU 16 -3.991 4.613 -15.126
116 HD13 LEU 16 3HD1 LEU 16 -2.280 4.208 -15.304
117 HD21 LEU 16 3HD2 LEU 16 -1.132 5.734 -12.180
118 HD22 LEU 16 1HD2 LEU 16 -1.138 6.580 -13.744
119 HD23 LEU 16 2HD2 LEU 16 -0.655 4.875 -13.652
120 H GLU 17 H GLU 17 -6.405 6.739 -11.142
121 HA GLU 17 HA GLU 17 -6.327 9.574 -10.863
122 HB2 GLU 17 1HB GLU 17 -8.292 7.489 -9.859
123 HB3 GLU 17 2HB GLU 17 -8.551 9.219 -9.643
124 HG2 GLU 17 1HG GLU 17 -8.602 9.569 -12.035
125 HG3 GLU 17 2HG GLU 17 -8.197 7.881 -12.324
126 HE2 GLU 17 HE2 GLU 17 -10.455 9.943 -11.028
127 H ASN 18 H ASN 18 -5.928 7.011 -8.447
128 HA ASN 18 HA ASN 18 -6.250 8.674 -6.143
129 HB2 ASN 18 1HB ASN 18 -5.054 5.975 -6.653
130 HB3 ASN 18 2HB ASN 18 -4.764 6.769 -5.104
131 HD21 ASN 18 2HD2 ASN 18 -7.210 5.382 -7.223
132 HD22 ASN 18 1HD2 ASN 18 -8.435 5.264 -5.982
133 H TYR 19 H TYR 19 -3.489 8.260 -8.283
134 HA TYR 19 HA TYR 19 -1.472 9.170 -6.403
135 HB2 TYR 19 1HB TYR 19 -1.668 9.108 -9.408
136 HB3 TYR 19 2HB TYR 19 -0.257 9.764 -8.606
137 HD1 TYR 19 HD1 TYR 19 -2.229 6.651 -9.108
138 HD2 TYR 19 HD2 TYR 19 1.456 8.337 -7.706
139 HE1 TYR 19 HE1 TYR 19 -1.234 4.368 -9.000
140 HE2 TYR 19 HE2 TYR 19 2.452 6.045 -7.603
141 HH TYR 19 HH TYR 19 0.595 3.135 -8.537
142 H CYS 20 H CYS 20 -3.937 10.760 -8.348
143 HA CYS 20 HA CYS 20 -2.644 13.395 -8.162
144 HB2 CYS 20 1HB CYS 20 -5.475 12.648 -8.977
145 HB3 CYS 20 2HB CYS 20 -4.693 14.212 -9.216
146 H ASN 21 H ASN 21 -2.572 14.280 -6.155
147 HA ASN 21 HA ASN 21 -5.074 14.178 -4.513
148 HB2 ASN 21 1HB ASN 21 -3.331 12.695 -3.548
149 HB3 ASN 21 2HB ASN 21 -2.217 14.060 -3.442
150 HD21 ASN 21 2HD2 ASN 21 -5.255 12.707 -2.281
151 HD22 ASN 21 1HD2 ASN 21 -5.337 13.690 -0.841
152 HXT ASN 21 H02 ASN 21 -3.104 17.509 -4.558
153 H1 PHE 1 3H0 PHE 1 -8.339 5.120 -22.139
154 H2 PHE 1 2H0 PHE 1 -8.017 3.975 -23.285
155 H3 PHE 1 1H0 PHE 1 -8.944 3.591 -21.977
156 HA PHE 1 HA PHE 1 -6.084 4.301 -21.920
157 HB2 PHE 1 1HB PHE 1 -7.303 5.096 -19.933
158 HB3 PHE 1 2HB PHE 1 -8.004 3.491 -19.697
159 HD1 PHE 1 HD2 PHE 1 -4.768 5.373 -19.735
160 HD2 PHE 1 HD1 PHE 1 -6.842 1.815 -18.464
161 HE1 PHE 1 HE2 PHE 1 -2.800 4.714 -18.369
162 HE2 PHE 1 HE1 PHE 1 -4.881 1.166 -17.076
163 HZ PHE 1 HZ PHE 1 -2.848 2.603 -17.047
164 H VAL 2 H VAL 2 -4.651 2.482 -21.569
165 HA VAL 2 HA VAL 2 -5.962 -0.162 -22.075
166 HB VAL 2 HB VAL 2 -3.180 0.771 -22.954
167 HG11 VAL 2 1HG1 VAL 2 -3.106 -1.398 -24.180
168 HG12 VAL 2 2HG1 VAL 2 -3.217 -1.639 -22.427
169 HG13 VAL 2 3HG1 VAL 2 -4.660 -1.858 -23.449
170 HG21 VAL 2 3HG2 VAL 2 -5.717 0.267 -24.577
171 HG22 VAL 2 1HG2 VAL 2 -4.887 1.825 -24.351
172 HG23 VAL 2 2HG2 VAL 2 -4.102 0.533 -25.275
173 H ASN 3 H ASN 3 -5.781 -1.488 -20.374
174 HA ASN 3 HA ASN 3 -4.283 -0.801 -18.037
175 HB2 ASN 3 1HB ASN 3 -5.531 -3.391 -19.001
176 HB3 ASN 3 2HB ASN 3 -4.643 -3.262 -17.481
177 HD21 ASN 3 2HD2 ASN 3 -7.548 -3.776 -18.140
178 HD22 ASN 3 1HD2 ASN 3 -8.420 -2.597 -17.191
179 H GLN 4 H GLN 4 -2.284 -1.260 -17.388
180 HA GLN 4 HA GLN 4 -0.853 -3.553 -18.408
181 HB2 GLN 4 1HB GLN 4 1.059 -2.238 -19.284
182 HB3 GLN 4 2HB GLN 4 -0.404 -1.952 -20.232
183 HG2 GLN 4 1HG GLN 4 -0.740 0.141 -18.756
184 HG3 GLN 4 2HG GLN 4 0.937 -0.110 -18.268
185 HE21 GLN 4 2HE2 GLN 4 -1.225 0.509 -20.976
186 HE22 GLN 4 1HE2 GLN 4 -0.012 1.240 -22.010
187 H HIS 5 H HIS 5 1.004 -3.830 -17.116
188 HA HIS 5 HA HIS 5 0.959 -2.698 -14.421
189 HB2 HIS 5 1HB HIS 5 3.243 -4.138 -15.839
190 HB3 HIS 5 2HB HIS 5 3.035 -3.923 -14.098
191 HD1 HIS 5 HD1 HIS 5 0.253 -4.872 -13.549
192 HD2 HIS 5 HD2 HIS 5 2.729 -6.786 -16.260
193 HE1 HIS 5 HE1 HIS 5 -0.615 -7.271 -13.797
194 HE2 HIS 5 HE2 HIS 5 0.923 -8.412 -15.440
195 H LEU 6 H LEU 6 2.322 -0.993 -13.644
196 HA LEU 6 HA LEU 6 3.854 0.479 -15.758
197 HB2 LEU 6 1HB LEU 6 1.722 1.544 -13.895
198 HB3 LEU 6 2HB LEU 6 2.881 2.576 -14.709
199 HG LEU 6 HG LEU 6 0.888 0.822 -16.163
200 HD11 LEU 6 1HD1 LEU 6 0.819 3.785 -15.527
201 HD12 LEU 6 2HD1 LEU 6 -0.237 2.549 -14.831
202 HD13 LEU 6 3HD1 LEU 6 -0.338 2.910 -16.557
203 HD21 LEU 6 3HD2 LEU 6 2.699 3.090 -17.073
204 HD22 LEU 6 1HD2 LEU 6 1.450 2.327 -18.071
205 HD23 LEU 6 2HD2 LEU 6 2.840 1.371 -17.529
206 H CYS 7 H CYS 7 5.802 1.084 -15.141
207 HA CYS 7 HA CYS 7 6.266 1.811 -12.288
208 HB2 CYS 7 1HB CYS 7 8.099 0.082 -14.002
209 HB3 CYS 7 2HB CYS 7 8.461 0.674 -12.379
210 H GLY 8 H GLY 8 8.261 3.151 -12.082
211 HA2 GLY 8 1HA GLY 8 9.649 4.861 -12.749
212 HA3 GLY 8 2HA GLY 8 9.873 3.911 -14.220
213 H SER 9 H SER 9 10.010 5.524 -15.687
214 HA SER 9 HA SER 9 8.421 7.845 -15.763
215 HB2 SER 9 1HB SER 9 9.333 6.601 -18.323
216 HB3 SER 9 2HB SER 9 9.553 8.262 -17.717
217 HG SER 9 HG SER 9 11.528 7.225 -17.595
218 H HIS 10 H HIS 10 7.685 4.574 -16.923
219 HA HIS 10 HA HIS 10 5.575 5.340 -18.718
220 HB2 HIS 10 1HB HIS 10 6.574 2.862 -17.477
221 HB3 HIS 10 2HB HIS 10 4.834 2.866 -17.746
222 HD1 HIS 10 HD1 HIS 10 3.980 3.110 -20.265
223 HD2 HIS 10 HD2 HIS 10 8.113 2.606 -19.785
224 HE1 HIS 10 HE1 HIS 10 4.928 2.537 -22.559
225 HE2 HIS 10 HE2 HIS 10 7.421 2.238 -22.251
226 H LEU 11 H LEU 11 5.686 4.761 -15.216
227 HA LEU 11 HA LEU 11 2.836 4.774 -14.829
228 HB2 LEU 11 1HB LEU 11 4.530 3.917 -13.215
229 HB3 LEU 11 2HB LEU 11 5.093 5.557 -12.952
230 HG LEU 11 HG LEU 11 2.985 6.157 -11.874
231 HD11 LEU 11 1HD1 LEU 11 1.458 4.634 -13.079
232 HD12 LEU 11 2HD1 LEU 11 1.313 4.462 -11.323
233 HD13 LEU 11 3HD1 LEU 11 2.207 3.242 -12.260
234 HD21 LEU 11 3HD2 LEU 11 4.874 5.181 -10.590
235 HD22 LEU 11 1HD2 LEU 11 4.175 3.557 -10.811
236 HD23 LEU 11 2HD2 LEU 11 3.303 4.788 -9.867
237 H VAL 12 H VAL 12 5.352 7.299 -14.795
238 HA VAL 12 HA VAL 12 3.606 9.450 -14.052
239 HB VAL 12 HB VAL 12 6.224 9.514 -15.632
240 HG11 VAL 12 1HG1 VAL 12 4.975 11.627 -15.807
241 HG12 VAL 12 2HG1 VAL 12 4.839 11.698 -14.039
242 HG13 VAL 12 3HG1 VAL 12 6.432 11.825 -14.815
243 HG21 VAL 12 3HG2 VAL 12 5.681 9.667 -12.636
244 HG22 VAL 12 1HG2 VAL 12 6.564 8.387 -13.496
245 HG23 VAL 12 2HG2 VAL 12 7.250 10.017 -13.398
246 H GLU 13 H GLU 13 4.642 8.137 -17.216
247 HA GLU 13 HA GLU 13 3.433 10.136 -18.860
248 HB2 GLU 13 1HB GLU 13 4.043 7.198 -19.251
249 HB3 GLU 13 2HB GLU 13 3.332 8.176 -20.538
250 HG2 GLU 13 1HG GLU 13 5.259 9.561 -20.700
251 HG3 GLU 13 2HG GLU 13 5.927 8.949 -19.184
252 HE2 GLU 13 HE2 GLU 13 7.311 9.009 -21.278
253 H ALA 14 H ALA 14 2.138 7.233 -17.278
254 HA ALA 14 HA ALA 14 -0.373 7.325 -18.710
255 HB1 ALA 14 3HB ALA 14 -1.072 5.647 -17.116
256 HB2 ALA 14 1HB ALA 14 0.577 5.291 -17.675
257 HB3 ALA 14 2HB ALA 14 0.318 6.015 -16.070
258 H LEU 15 H LEU 15 0.844 8.709 -15.661
259 HA LEU 15 HA LEU 15 -1.718 9.485 -14.649
260 HB2 LEU 15 1HB LEU 15 1.085 10.540 -14.203
261 HB3 LEU 15 2HB LEU 15 -0.316 11.229 -13.395
262 HG LEU 15 HG LEU 15 0.497 8.323 -13.133
263 HD11 LEU 15 1HD1 LEU 15 1.369 8.868 -10.944
264 HD12 LEU 15 2HD1 LEU 15 0.955 10.584 -11.168
265 HD13 LEU 15 3HD1 LEU 15 2.214 9.831 -12.172
266 HD21 LEU 15 3HD2 LEU 15 -1.426 10.024 -11.543
267 HD22 LEU 15 1HD2 LEU 15 -1.049 8.301 -11.293
268 HD23 LEU 15 2HD2 LEU 15 -1.885 8.813 -12.755
269 H TYR 16 H TYR 16 0.507 11.035 -16.948
270 HA TYR 16 HA TYR 16 -0.813 13.571 -17.079
271 HB2 TYR 16 1HB TYR 16 0.780 11.944 -19.078
272 HB3 TYR 16 2HB TYR 16 -0.035 13.428 -19.567
273 HD1 TYR 16 HD1 TYR 16 0.520 15.615 -18.346
274 HD2 TYR 16 HD2 TYR 16 2.928 12.066 -18.007
275 HE1 TYR 16 HE1 TYR 16 2.439 16.988 -17.537
276 HE2 TYR 16 HE2 TYR 16 4.852 13.455 -17.221
277 HH TYR 16 HH TYR 16 5.588 15.555 -16.683
278 H LEU 17 H LEU 17 -1.526 10.436 -18.629
279 HA LEU 17 HA LEU 17 -3.572 11.539 -20.341
280 HB2 LEU 17 1HB LEU 17 -3.209 8.707 -19.328
281 HB3 LEU 17 2HB LEU 17 -4.264 9.217 -20.629
282 HG LEU 17 HG LEU 17 -1.238 9.436 -20.691
283 HD11 LEU 17 1HD1 LEU 17 -1.996 7.088 -20.542
284 HD12 LEU 17 2HD1 LEU 17 -1.306 7.453 -22.137
285 HD13 LEU 17 3HD1 LEU 17 -3.070 7.350 -21.940
286 HD21 LEU 17 3HD2 LEU 17 -2.318 11.025 -22.210
287 HD22 LEU 17 1HD2 LEU 17 -3.335 9.727 -22.882
288 HD23 LEU 17 2HD2 LEU 17 -1.572 9.710 -23.137
289 H VAL 18 H VAL 18 -3.643 9.891 -17.174
290 HA VAL 18 HA VAL 18 -6.535 9.689 -17.221
291 HB VAL 18 HB VAL 18 -4.525 9.246 -14.967
292 HG11 VAL 18 1HG1 VAL 18 -6.740 9.654 -14.009
293 HG12 VAL 18 2HG1 VAL 18 -7.477 8.500 -15.145
294 HG13 VAL 18 3HG1 VAL 18 -6.348 7.930 -13.892
295 HG21 VAL 18 3HG2 VAL 18 -4.141 7.717 -16.773
296 HG22 VAL 18 1HG2 VAL 18 -5.024 6.833 -15.524
297 HG23 VAL 18 2HG2 VAL 18 -5.880 7.404 -16.967
298 H CYS 19 H CYS 19 -4.213 11.832 -15.530
299 HA CYS 19 HA CYS 19 -6.540 13.260 -14.379
300 HB2 CYS 19 1HB CYS 19 -3.682 13.073 -13.745
301 HB3 CYS 19 2HB CYS 19 -4.338 14.724 -13.638
302 H GLY 20 H GLY 20 -4.656 13.367 -17.249
303 HA2 GLY 20 1HA GLY 20 -4.795 14.856 -18.991
304 HA3 GLY 20 2HA GLY 20 -6.269 15.467 -18.234
305 H GLU 21 H GLU 21 -5.934 17.537 -18.786
306 HA GLU 21 HA GLU 21 -3.498 18.960 -18.472
307 HB2 GLU 21 1HB GLU 21 -5.105 20.988 -18.640
308 HB3 GLU 21 2HB GLU 21 -4.930 19.885 -19.996
309 HG2 GLU 21 1HG GLU 21 -7.286 20.578 -19.624
310 HG3 GLU 21 2HG GLU 21 -7.060 18.830 -19.545
311 HE2 GLU 21 HE2 GLU 21 -7.088 21.589 -17.609
312 H ARG 22 H ARG 22 -5.749 18.127 -15.978
313 HA ARG 22 HA ARG 22 -5.356 20.543 -14.431
314 HB2 ARG 22 1HB ARG 22 -6.754 19.643 -12.880
315 HB3 ARG 22 2HB ARG 22 -7.235 18.725 -14.305
316 HG2 ARG 22 1HG ARG 22 -5.566 16.920 -13.454
317 HG3 ARG 22 2HG ARG 22 -5.576 17.831 -11.931
318 HD2 ARG 22 1HD ARG 22 -7.234 16.161 -11.693
319 HD3 ARG 22 2HD ARG 22 -8.115 17.673 -12.019
320 HE ARG 22 HE ARG 22 -7.497 16.254 -14.454
321 HH11 ARG 22 1HH1 ARG 22 -9.782 16.194 -11.755
322 HH12 ARG 22 2HH1 ARG 22 -11.009 15.387 -12.697
323 HH21 ARG 22 1HH2 ARG 22 -9.082 15.230 -15.572
324 HH22 ARG 22 2HH2 ARG 22 -10.614 14.843 -14.830
325 H GLY 23 H GLY 23 -3.379 17.831 -15.038
326 HA2 GLY 23 1HA GLY 23 -1.172 17.579 -14.358
327 HA3 GLY 23 2HA GLY 23 -1.381 18.896 -13.197
328 H PHE 24 H PHE 24 0.073 17.058 -12.233
329 HA PHE 24 HA PHE 24 -1.392 15.813 -10.066
330 HB2 PHE 24 1HB PHE 24 -0.744 13.510 -10.571
331 HB3 PHE 24 2HB PHE 24 -1.776 14.119 -11.869
332 HD1 PHE 24 HD2 PHE 24 -0.826 14.712 -14.068
333 HD2 PHE 24 HD1 PHE 24 1.565 12.937 -10.982
334 HE1 PHE 24 HE2 PHE 24 0.924 14.171 -15.735
335 HE2 PHE 24 HE1 PHE 24 3.325 12.377 -12.648
336 HZ PHE 24 HZ PHE 24 2.999 12.994 -15.042
337 H PHE 25 H PHE 25 0.515 14.446 -8.877
338 HA PHE 25 HA PHE 25 3.169 15.507 -9.667
339 HB2 PHE 25 1HB PHE 25 3.809 15.984 -7.398
340 HB3 PHE 25 2HB PHE 25 2.344 16.907 -7.748
341 HD1 PHE 25 HD1 PHE 25 0.191 16.294 -6.694
342 HD2 PHE 25 HD2 PHE 25 3.822 14.170 -5.780
343 HE1 PHE 25 HE1 PHE 25 -0.896 15.288 -4.703
344 HE2 PHE 25 HE2 PHE 25 2.728 13.148 -3.790
345 HZ PHE 25 HZ PHE 25 0.360 13.707 -3.249
346 H TYR 26 H TYR 26 4.884 14.084 -8.710
347 HA TYR 26 HA TYR 26 3.944 11.423 -7.836
348 HB2 TYR 26 1HB TYR 26 3.997 11.255 -10.309
349 HB3 TYR 26 2HB TYR 26 5.656 11.875 -10.320
350 HD1 TYR 26 HD1 TYR 26 3.561 9.061 -8.951
351 HD2 TYR 26 HD2 TYR 26 7.482 10.366 -10.158
352 HE1 TYR 26 HE1 TYR 26 4.441 6.752 -8.617
353 HE2 TYR 26 HE2 TYR 26 8.344 8.047 -9.844
354 HH TYR 26 HH TYR 26 7.860 5.910 -9.220
355 H THR 27 H THR 27 5.641 10.334 -6.713
356 HA THR 27 HA THR 27 7.926 12.136 -6.029
357 HB THR 27 HB THR 27 8.016 10.887 -3.886
358 HG1 THR 27 HG1 THR 27 6.797 9.052 -4.935
359 HG21 THR 27 1HG2 THR 27 5.245 12.016 -4.454
360 HG22 THR 27 2HG2 THR 27 6.689 13.008 -4.137
361 HG23 THR 27 3HG2 THR 27 6.064 11.918 -2.879
362 HA PRO 28 HA PRO 28 9.873 8.494 -8.005
363 HB2 PRO 28 1HB PRO 28 11.963 9.772 -9.195
364 HB3 PRO 28 2HB PRO 28 10.320 9.788 -9.915
365 HG2 PRO 28 1HG PRO 28 11.658 11.862 -8.203
366 HG3 PRO 28 2HG PRO 28 10.804 12.067 -9.767
367 HD2 PRO 28 1HD PRO 28 9.608 12.546 -7.371
368 HD3 PRO 28 2HD PRO 28 8.698 11.876 -8.765
369 H LYS 29 H LYS 29 11.950 7.474 -7.476
370 HA LYS 29 HA LYS 29 13.437 8.766 -5.240
371 HB2 LYS 29 1HB LYS 29 12.192 5.990 -5.250
372 HB3 LYS 29 2HB LYS 29 13.437 6.503 -4.099
373 HG2 LYS 29 1HG LYS 29 12.001 8.187 -3.165
374 HG3 LYS 29 2HG LYS 29 10.813 7.973 -4.455
375 HD2 LYS 29 1HD LYS 29 10.318 5.707 -3.660
376 HD3 LYS 29 2HD LYS 29 11.511 5.902 -2.356
377 HE2 LYS 29 1HE LYS 29 9.225 6.351 -1.530
378 HE3 LYS 29 2HE LYS 29 10.236 7.806 -1.448
379 HZ1 LYS 29 3HZ LYS 29 8.224 7.225 -3.556
380 HZ2 LYS 29 1HZ LYS 29 9.199 8.551 -3.530
381 HZ3 LYS 29 2HZ LYS 29 8.068 8.339 -2.348
382 H THR 30 H THR 30 15.422 8.930 -5.944
383 HA THR 30 HA THR 30 16.483 7.109 -7.997
384 HB THR 30 HB THR 30 18.461 8.923 -7.474
385 HG1 THR 30 HG1 THR 30 17.420 10.868 -6.847
386 HG21 THR 30 1HG2 THR 30 15.875 9.571 -9.035
387 HG22 THR 30 2HG2 THR 30 17.255 8.662 -9.687
388 HG23 THR 30 3HG2 THR 30 17.443 10.366 -9.252
389 HXT THR 30 H02 THR 30 18.953 5.719 -6.182
Start of MODEL 27
1 H1 GLY 1 3H0 GLY 1 1.853 -0.882 0.015
2 H2 GLY 1 2H0 GLY 1 0.680 -1.311 -1.063
3 H3 GLY 1 1H0 GLY 1 2.268 -1.347 -1.511
4 HA2 GLY 1 1HA GLY 1 0.770 1.083 -0.783
5 HA3 GLY 1 2HA GLY 1 2.460 1.026 -1.319
6 H ILE 2 H ILE 2 0.320 2.537 -2.598
7 HA ILE 2 HA ILE 2 -0.843 1.096 -4.737
8 HB ILE 2 HB ILE 2 -1.582 3.306 -3.796
9 HG12 ILE 2 1HG1 ILE 2 -1.251 3.223 -6.809
10 HG13 ILE 2 2HG1 ILE 2 -2.426 2.275 -5.897
11 HG21 ILE 2 1HG2 ILE 2 0.550 4.553 -5.605
12 HG22 ILE 2 2HG2 ILE 2 -0.603 5.402 -4.559
13 HG23 ILE 2 3HG2 ILE 2 0.696 4.433 -3.837
14 HD11 ILE 2 3HD1 ILE 2 -3.392 4.449 -5.036
15 HD12 ILE 2 1HD1 ILE 2 -2.327 5.299 -6.189
16 HD13 ILE 2 2HD1 ILE 2 -3.567 4.174 -6.781
17 H VAL 3 H VAL 3 2.304 2.809 -4.652
18 HA VAL 3 HA VAL 3 2.705 2.589 -7.474
19 HB VAL 3 HB VAL 3 3.962 4.202 -6.136
20 HG11 VAL 3 1HG1 VAL 3 5.794 3.550 -4.650
21 HG12 VAL 3 2HG1 VAL 3 4.254 2.899 -4.063
22 HG13 VAL 3 3HG1 VAL 3 5.420 1.834 -4.894
23 HG21 VAL 3 3HG2 VAL 3 4.893 3.379 -8.290
24 HG22 VAL 3 1HG2 VAL 3 6.155 3.892 -7.149
25 HG23 VAL 3 2HG2 VAL 3 5.834 2.159 -7.405
26 H GLU 4 H GLU 4 3.380 0.372 -4.777
27 HA GLU 4 HA GLU 4 4.887 -1.494 -6.352
28 HB2 GLU 4 1HB GLU 4 3.204 -1.794 -3.850
29 HB3 GLU 4 2HB GLU 4 4.058 -3.153 -4.581
30 HG2 GLU 4 1HG GLU 4 6.154 -2.284 -4.092
31 HG3 GLU 4 2HG GLU 4 5.538 -0.638 -3.867
32 HE2 GLU 4 HE2 GLU 4 5.989 -2.860 -0.810
33 H GLN 5 H GLN 5 1.409 -1.139 -5.596
34 HA GLN 5 HA GLN 5 0.514 -3.492 -6.876
35 HB2 GLN 5 1HB GLN 5 -0.864 -1.946 -5.449
36 HB3 GLN 5 2HB GLN 5 -0.860 -0.785 -6.776
37 HG2 GLN 5 1HG GLN 5 -2.007 -2.467 -8.218
38 HG3 GLN 5 2HG GLN 5 -2.096 -3.552 -6.822
39 HE21 GLN 5 2HE2 GLN 5 -4.418 -3.464 -7.151
40 HE22 GLN 5 1HE2 GLN 5 -5.321 -2.106 -6.521
41 H CYS 6 H CYS 6 1.028 -0.183 -8.221
42 HA CYS 6 HA CYS 6 0.135 -1.010 -10.841
43 HB2 CYS 6 1HB CYS 6 1.545 1.423 -9.750
44 HB3 CYS 6 2HB CYS 6 1.325 1.196 -11.493
45 H CYS 7 H CYS 7 3.345 -0.882 -9.307
46 HA CYS 7 HA CYS 7 4.756 -1.247 -11.794
47 HB2 CYS 7 1HB CYS 7 5.528 -1.678 -8.896
48 HB3 CYS 7 2HB CYS 7 6.639 -1.955 -10.241
49 H THR 8 H THR 8 3.937 -3.513 -9.102
50 HA THR 8 HA THR 8 5.083 -5.703 -10.681
51 HB THR 8 HB THR 8 5.391 -5.342 -8.148
52 HG1 THR 8 HG1 THR 8 4.616 -7.827 -9.302
53 HG21 THR 8 1HG2 THR 8 2.790 -5.245 -7.794
54 HG22 THR 8 2HG2 THR 8 3.796 -6.132 -6.635
55 HG23 THR 8 3HG2 THR 8 2.889 -7.015 -7.886
56 H SER 9 H SER 9 1.916 -4.396 -10.284
57 HA SER 9 HA SER 9 0.869 -6.762 -11.717
58 HB2 SER 9 1HB SER 9 -1.015 -7.066 -10.199
59 HB3 SER 9 2HB SER 9 0.480 -7.178 -9.255
60 HG SER 9 HG SER 9 -0.109 -4.664 -9.145
61 H ILE 10 H ILE 10 -1.804 -6.082 -11.836
62 HA ILE 10 HA ILE 10 -1.430 -4.215 -13.974
63 HB ILE 10 HB ILE 10 -3.945 -5.481 -12.833
64 HG12 ILE 10 1HG1 ILE 10 -2.225 -7.006 -13.853
65 HG13 ILE 10 2HG1 ILE 10 -3.807 -7.042 -14.626
66 HG21 ILE 10 1HG2 ILE 10 -3.576 -3.723 -15.282
67 HG22 ILE 10 2HG2 ILE 10 -4.965 -4.823 -15.082
68 HG23 ILE 10 3HG2 ILE 10 -4.709 -3.498 -13.932
69 HD11 ILE 10 3HD1 ILE 10 -1.439 -5.467 -15.709
70 HD12 ILE 10 1HD1 ILE 10 -1.896 -7.100 -16.235
71 HD13 ILE 10 2HD1 ILE 10 -3.003 -5.743 -16.509
72 H CYS 11 H CYS 11 -1.421 -2.146 -14.003
73 HA CYS 11 HA CYS 11 -2.678 -0.573 -11.820
74 HB2 CYS 11 1HB CYS 11 -0.291 -0.196 -12.861
75 HB3 CYS 11 2HB CYS 11 -1.170 0.457 -14.238
76 H SER 12 H SER 12 -4.355 0.964 -12.440
77 HA SER 12 HA SER 12 -5.386 0.738 -15.210
78 HB2 SER 12 1HB SER 12 -7.651 0.298 -14.453
79 HB3 SER 12 2HB SER 12 -6.592 -0.972 -13.806
80 HG SER 12 HG SER 12 -7.767 -0.310 -12.088
81 H LEU 13 H LEU 13 -7.131 2.434 -15.526
82 HA LEU 13 HA LEU 13 -6.113 4.951 -14.813
83 HB2 LEU 13 1HB LEU 13 -8.089 5.885 -15.778
84 HB3 LEU 13 2HB LEU 13 -7.551 4.519 -16.742
85 HG LEU 13 HG LEU 13 -9.433 3.362 -15.057
86 HD11 LEU 13 1HD1 LEU 13 -10.149 5.561 -14.243
87 HD12 LEU 13 2HD1 LEU 13 -11.416 4.822 -15.236
88 HD13 LEU 13 3HD1 LEU 13 -10.404 6.116 -15.915
89 HD21 LEU 13 3HD2 LEU 13 -10.841 3.279 -17.061
90 HD22 LEU 13 1HD2 LEU 13 -9.145 2.925 -17.445
91 HD23 LEU 13 2HD2 LEU 13 -9.829 4.526 -17.831
92 H TYR 14 H TYR 14 -8.522 2.974 -13.118
93 HA TYR 14 HA TYR 14 -9.481 5.043 -11.411
94 HB2 TYR 14 1HB TYR 14 -9.262 2.095 -10.745
95 HB3 TYR 14 2HB TYR 14 -10.438 3.260 -10.120
96 HD1 TYR 14 HD1 TYR 14 -12.109 4.296 -11.831
97 HD2 TYR 14 HD2 TYR 14 -9.711 0.829 -12.695
98 HE1 TYR 14 HE1 TYR 14 -13.642 3.695 -13.706
99 HE2 TYR 14 HE2 TYR 14 -11.236 0.253 -14.589
100 HH TYR 14 HH TYR 14 -14.111 2.205 -15.379
101 H GLN 15 H GLN 15 -6.777 2.727 -11.111
102 HA GLN 15 HA GLN 15 -6.107 3.531 -8.417
103 HB2 GLN 15 1HB GLN 15 -4.286 2.305 -10.524
104 HB3 GLN 15 2HB GLN 15 -4.021 2.334 -8.778
105 HG2 GLN 15 1HG GLN 15 -6.115 0.788 -10.317
106 HG3 GLN 15 2HG GLN 15 -4.768 0.148 -9.382
107 HE21 GLN 15 2HE2 GLN 15 -4.839 0.622 -6.976
108 HE22 GLN 15 1HE2 GLN 15 -6.422 0.668 -6.230
109 H LEU 16 H LEU 16 -5.117 4.456 -11.681
110 HA LEU 16 HA LEU 16 -3.008 6.213 -10.955
111 HB2 LEU 16 1HB LEU 16 -4.823 6.098 -13.354
112 HB3 LEU 16 2HB LEU 16 -3.503 7.259 -13.223
113 HG LEU 16 HG LEU 16 -3.056 4.275 -12.922
114 HD11 LEU 16 1HD1 LEU 16 -2.850 5.911 -15.462
115 HD12 LEU 16 2HD1 LEU 16 -4.054 4.650 -15.118
116 HD13 LEU 16 3HD1 LEU 16 -2.345 4.217 -15.255
117 HD21 LEU 16 3HD2 LEU 16 -1.197 6.560 -13.668
118 HD22 LEU 16 1HD2 LEU 16 -0.753 4.846 -13.550
119 HD23 LEU 16 2HD2 LEU 16 -1.250 5.728 -12.097
120 H GLU 17 H GLU 17 -6.534 6.832 -11.162
121 HA GLU 17 HA GLU 17 -6.444 9.659 -10.910
122 HB2 GLU 17 1HB GLU 17 -8.391 7.589 -9.845
123 HB3 GLU 17 2HB GLU 17 -8.658 9.324 -9.672
124 HG2 GLU 17 1HG GLU 17 -8.786 9.622 -12.044
125 HG3 GLU 17 2HG GLU 17 -8.269 7.966 -12.339
126 HE2 GLU 17 HE2 GLU 17 -10.541 9.495 -10.377
127 H ASN 18 H ASN 18 -6.052 7.142 -8.443
128 HA ASN 18 HA ASN 18 -6.379 8.849 -6.176
129 HB2 ASN 18 1HB ASN 18 -4.894 6.230 -6.454
130 HB3 ASN 18 2HB ASN 18 -5.258 7.021 -4.922
131 HD21 ASN 18 2HD2 ASN 18 -6.146 4.484 -6.513
132 HD22 ASN 18 1HD2 ASN 18 -7.875 4.489 -6.270
133 H TYR 19 H TYR 19 -3.620 8.366 -8.280
134 HA TYR 19 HA TYR 19 -1.573 9.207 -6.400
135 HB2 TYR 19 1HB TYR 19 -1.778 9.154 -9.397
136 HB3 TYR 19 2HB TYR 19 -0.341 9.738 -8.590
137 HD1 TYR 19 HD1 TYR 19 -2.450 6.728 -9.114
138 HD2 TYR 19 HD2 TYR 19 1.302 8.249 -7.712
139 HE1 TYR 19 HE1 TYR 19 -1.544 4.416 -9.062
140 HE2 TYR 19 HE2 TYR 19 2.208 5.929 -7.649
141 HH TYR 19 HH TYR 19 0.238 3.105 -8.619
142 H CYS 20 H CYS 20 -4.032 10.880 -8.240
143 HA CYS 20 HA CYS 20 -2.564 13.425 -8.305
144 HB2 CYS 20 1HB CYS 20 -5.479 12.787 -8.895
145 HB3 CYS 20 2HB CYS 20 -4.663 14.318 -9.228
146 H ASN 21 H ASN 21 -3.220 15.301 -7.120
147 HA ASN 21 HA ASN 21 -3.982 14.767 -4.386
148 HB2 ASN 21 1HB ASN 21 -2.502 16.712 -5.069
149 HB3 ASN 21 2HB ASN 21 -3.913 17.470 -5.819
150 HD21 ASN 21 2HD2 ASN 21 -4.765 19.001 -4.581
151 HD22 ASN 21 1HD2 ASN 21 -4.893 18.923 -2.843
152 HXT ASN 21 H02 ASN 21 -7.266 15.106 -4.358
153 H1 PHE 1 3H0 PHE 1 -9.779 2.652 -22.234
154 H2 PHE 1 2H0 PHE 1 -9.270 4.185 -22.569
155 H3 PHE 1 1H0 PHE 1 -8.871 2.941 -23.577
156 HA PHE 1 HA PHE 1 -6.969 3.537 -22.259
157 HB2 PHE 1 1HB PHE 1 -8.482 4.392 -20.386
158 HB3 PHE 1 2HB PHE 1 -8.681 2.707 -19.891
159 HD1 PHE 1 HD2 PHE 1 -6.283 5.529 -20.184
160 HD2 PHE 1 HD1 PHE 1 -6.898 1.516 -18.739
161 HE1 PHE 1 HE2 PHE 1 -4.177 5.682 -18.863
162 HE2 PHE 1 HE1 PHE 1 -4.791 1.663 -17.426
163 HZ PHE 1 HZ PHE 1 -3.422 3.741 -17.493
164 H VAL 2 H VAL 2 -5.437 1.859 -21.662
165 HA VAL 2 HA VAL 2 -6.566 -0.914 -21.707
166 HB VAL 2 HB VAL 2 -4.032 0.058 -23.144
167 HG11 VAL 2 1HG1 VAL 2 -3.766 -2.225 -22.236
168 HG12 VAL 2 2HG1 VAL 2 -5.297 -2.722 -22.998
169 HG13 VAL 2 3HG1 VAL 2 -3.899 -2.275 -24.004
170 HG21 VAL 2 3HG2 VAL 2 -6.002 0.720 -24.425
171 HG22 VAL 2 1HG2 VAL 2 -5.230 -0.655 -25.231
172 HG23 VAL 2 2HG2 VAL 2 -6.705 -0.907 -24.266
173 H ASN 3 H ASN 3 -5.754 -2.108 -20.010
174 HA ASN 3 HA ASN 3 -3.957 -0.692 -18.143
175 HB2 ASN 3 1HB ASN 3 -5.315 -3.386 -17.927
176 HB3 ASN 3 2HB ASN 3 -4.398 -2.555 -16.672
177 HD21 ASN 3 2HD2 ASN 3 -7.209 -3.433 -16.708
178 HD22 ASN 3 1HD2 ASN 3 -8.162 -1.997 -16.427
179 H GLN 4 H GLN 4 -1.920 -1.275 -17.614
180 HA GLN 4 HA GLN 4 -0.974 -3.972 -18.011
181 HB2 GLN 4 1HB GLN 4 0.952 -3.448 -19.399
182 HB3 GLN 4 2HB GLN 4 -0.528 -3.132 -20.292
183 HG2 GLN 4 1HG GLN 4 1.177 -1.004 -18.971
184 HG3 GLN 4 2HG GLN 4 1.267 -1.453 -20.672
185 HE21 GLN 4 2HE2 GLN 4 -1.088 -1.491 -21.712
186 HE22 GLN 4 1HE2 GLN 4 -2.012 -0.039 -21.391
187 H HIS 5 H HIS 5 1.148 -4.059 -17.052
188 HA HIS 5 HA HIS 5 1.325 -2.703 -14.546
189 HB2 HIS 5 1HB HIS 5 3.628 -4.040 -16.023
190 HB3 HIS 5 2HB HIS 5 3.458 -3.803 -14.280
191 HD1 HIS 5 HD1 HIS 5 0.793 -4.926 -13.594
192 HD2 HIS 5 HD2 HIS 5 3.248 -6.722 -16.410
193 HE1 HIS 5 HE1 HIS 5 0.077 -7.383 -13.767
194 HE2 HIS 5 HE2 HIS 5 1.591 -8.444 -15.484
195 H LEU 6 H LEU 6 2.081 -0.729 -14.030
196 HA LEU 6 HA LEU 6 3.789 0.731 -15.977
197 HB2 LEU 6 1HB LEU 6 1.303 1.347 -14.456
198 HB3 LEU 6 2HB LEU 6 2.500 2.615 -14.510
199 HG LEU 6 HG LEU 6 1.946 3.234 -16.499
200 HD11 LEU 6 1HD1 LEU 6 1.492 0.442 -17.505
201 HD12 LEU 6 2HD1 LEU 6 2.963 1.400 -17.754
202 HD13 LEU 6 3HD1 LEU 6 1.438 1.921 -18.486
203 HD21 LEU 6 3HD2 LEU 6 -0.225 2.980 -15.382
204 HD22 LEU 6 1HD2 LEU 6 -0.399 1.369 -16.125
205 HD23 LEU 6 2HD2 LEU 6 -0.374 2.821 -17.146
206 H CYS 7 H CYS 7 5.735 1.175 -15.185
207 HA CYS 7 HA CYS 7 5.947 2.050 -12.363
208 HB2 CYS 7 1HB CYS 7 6.543 -0.498 -12.841
209 HB3 CYS 7 2HB CYS 7 8.036 0.193 -13.488
210 H GLY 8 H GLY 8 7.964 3.297 -12.020
211 HA2 GLY 8 1HA GLY 8 9.538 4.852 -12.695
212 HA3 GLY 8 2HA GLY 8 9.772 3.849 -14.137
213 H SER 9 H SER 9 9.892 5.377 -15.705
214 HA SER 9 HA SER 9 8.316 7.726 -15.861
215 HB2 SER 9 1HB SER 9 9.026 7.711 -18.262
216 HB3 SER 9 2HB SER 9 10.366 7.463 -17.120
217 HG SER 9 HG SER 9 10.448 5.966 -18.838
218 H HIS 10 H HIS 10 7.541 4.402 -16.853
219 HA HIS 10 HA HIS 10 5.420 5.097 -18.665
220 HB2 HIS 10 1HB HIS 10 5.919 2.655 -16.940
221 HB3 HIS 10 2HB HIS 10 4.488 2.829 -17.947
222 HD1 HIS 10 HD1 HIS 10 4.658 1.725 -20.146
223 HD2 HIS 10 HD2 HIS 10 8.383 3.090 -18.788
224 HE1 HIS 10 HE1 HIS 10 6.372 1.053 -21.894
225 HE2 HIS 10 HE2 HIS 10 8.618 1.882 -21.064
226 H LEU 11 H LEU 11 5.560 4.761 -15.128
227 HA LEU 11 HA LEU 11 2.711 4.853 -14.736
228 HB2 LEU 11 1HB LEU 11 4.421 4.042 -13.086
229 HB3 LEU 11 2HB LEU 11 4.965 5.700 -12.882
230 HG LEU 11 HG LEU 11 2.733 6.300 -11.959
231 HD11 LEU 11 1HD1 LEU 11 2.246 3.296 -12.082
232 HD12 LEU 11 2HD1 LEU 11 1.372 4.538 -13.005
233 HD13 LEU 11 3HD1 LEU 11 1.223 4.486 -11.242
234 HD21 LEU 11 3HD2 LEU 11 4.158 3.977 -10.600
235 HD22 LEU 11 1HD2 LEU 11 3.112 5.177 -9.808
236 HD23 LEU 11 2HD2 LEU 11 4.649 5.689 -10.530
237 H VAL 12 H VAL 12 5.303 7.294 -14.805
238 HA VAL 12 HA VAL 12 3.684 9.533 -14.105
239 HB VAL 12 HB VAL 12 6.219 9.409 -15.812
240 HG11 VAL 12 1HG1 VAL 12 6.556 11.754 -15.151
241 HG12 VAL 12 2HG1 VAL 12 5.058 11.557 -16.077
242 HG13 VAL 12 3HG1 VAL 12 4.990 11.745 -14.310
243 HG21 VAL 12 3HG2 VAL 12 7.376 9.993 -13.668
244 HG22 VAL 12 1HG2 VAL 12 5.830 9.797 -12.809
245 HG23 VAL 12 2HG2 VAL 12 6.596 8.403 -13.610
246 H GLU 13 H GLU 13 4.567 8.159 -17.324
247 HA GLU 13 HA GLU 13 3.149 10.203 -18.764
248 HB2 GLU 13 1HB GLU 13 3.939 7.396 -19.597
249 HB3 GLU 13 2HB GLU 13 3.276 8.631 -20.681
250 HG2 GLU 13 1HG GLU 13 5.914 8.737 -19.193
251 HG3 GLU 13 2HG GLU 13 5.674 8.638 -20.940
252 HE2 GLU 13 HE2 GLU 13 4.130 10.364 -21.555
253 H ALA 14 H ALA 14 2.100 7.209 -17.251
254 HA ALA 14 HA ALA 14 -0.437 7.130 -18.648
255 HB1 ALA 14 3HB ALA 14 -1.048 5.490 -16.978
256 HB2 ALA 14 1HB ALA 14 0.617 5.176 -17.509
257 HB3 ALA 14 2HB ALA 14 0.319 5.968 -15.942
258 H LEU 15 H LEU 15 0.798 8.561 -15.620
259 HA LEU 15 HA LEU 15 -1.737 9.446 -14.641
260 HB2 LEU 15 1HB LEU 15 1.109 10.371 -14.188
261 HB3 LEU 15 2HB LEU 15 -0.259 11.152 -13.408
262 HG LEU 15 HG LEU 15 0.345 8.205 -13.096
263 HD11 LEU 15 1HD1 LEU 15 1.299 8.701 -10.935
264 HD12 LEU 15 2HD1 LEU 15 1.022 10.441 -11.167
265 HD13 LEU 15 3HD1 LEU 15 2.201 9.581 -12.185
266 HD21 LEU 15 3HD2 LEU 15 -1.179 8.345 -11.260
267 HD22 LEU 15 1HD2 LEU 15 -1.981 8.943 -12.708
268 HD23 LEU 15 2HD2 LEU 15 -1.379 10.097 -11.503
269 H TYR 16 H TYR 16 0.583 10.934 -16.895
270 HA TYR 16 HA TYR 16 -0.603 13.515 -17.039
271 HB2 TYR 16 1HB TYR 16 0.929 11.790 -18.980
272 HB3 TYR 16 2HB TYR 16 0.113 13.232 -19.577
273 HD1 TYR 16 HD1 TYR 16 0.621 15.495 -18.362
274 HD2 TYR 16 HD2 TYR 16 3.124 12.011 -18.078
275 HE1 TYR 16 HE1 TYR 16 2.550 16.920 -17.670
276 HE2 TYR 16 HE2 TYR 16 5.045 13.435 -17.412
277 HH TYR 16 HH TYR 16 4.757 16.975 -17.070
278 H LEU 17 H LEU 17 -1.472 10.460 -18.695
279 HA LEU 17 HA LEU 17 -3.512 11.719 -20.298
280 HB2 LEU 17 1HB LEU 17 -3.144 8.828 -19.472
281 HB3 LEU 17 2HB LEU 17 -4.280 9.411 -20.679
282 HG LEU 17 HG LEU 17 -1.262 9.681 -20.904
283 HD11 LEU 17 1HD1 LEU 17 -3.143 7.645 -22.161
284 HD12 LEU 17 2HD1 LEU 17 -1.950 7.321 -20.879
285 HD13 LEU 17 3HD1 LEU 17 -1.403 7.810 -22.496
286 HD21 LEU 17 3HD2 LEU 17 -1.756 10.104 -23.307
287 HD22 LEU 17 1HD2 LEU 17 -2.451 11.346 -22.250
288 HD23 LEU 17 2HD2 LEU 17 -3.497 10.083 -22.938
289 H VAL 18 H VAL 18 -3.616 9.889 -17.222
290 HA VAL 18 HA VAL 18 -6.509 9.801 -17.230
291 HB VAL 18 HB VAL 18 -4.498 9.284 -14.988
292 HG11 VAL 18 1HG1 VAL 18 -6.363 8.010 -13.915
293 HG12 VAL 18 2HG1 VAL 18 -6.692 9.746 -14.005
294 HG13 VAL 18 3HG1 VAL 18 -7.478 8.635 -15.152
295 HG21 VAL 18 3HG2 VAL 18 -4.191 7.763 -16.832
296 HG22 VAL 18 1HG2 VAL 18 -5.037 6.896 -15.548
297 HG23 VAL 18 2HG2 VAL 18 -5.938 7.472 -16.962
298 H CYS 19 H CYS 19 -4.100 11.857 -15.551
299 HA CYS 19 HA CYS 19 -6.350 13.304 -14.311
300 HB2 CYS 19 1HB CYS 19 -3.597 12.943 -13.670
301 HB3 CYS 19 2HB CYS 19 -3.924 14.683 -13.836
302 H GLY 20 H GLY 20 -4.481 13.504 -17.227
303 HA2 GLY 20 1HA GLY 20 -4.679 15.008 -18.948
304 HA3 GLY 20 2HA GLY 20 -6.157 15.592 -18.172
305 H GLU 21 H GLU 21 -5.842 17.704 -18.657
306 HA GLU 21 HA GLU 21 -3.394 19.129 -18.212
307 HB2 GLU 21 1HB GLU 21 -6.261 20.126 -18.461
308 HB3 GLU 21 2HB GLU 21 -4.823 21.139 -18.523
309 HG2 GLU 21 1HG GLU 21 -5.326 20.877 -20.776
310 HG3 GLU 21 2HG GLU 21 -4.081 19.645 -20.523
311 HE2 GLU 21 HE2 GLU 21 -5.199 19.145 -22.454
312 H ARG 22 H ARG 22 -5.591 17.957 -15.897
313 HA ARG 22 HA ARG 22 -5.525 20.193 -14.038
314 HB2 ARG 22 1HB ARG 22 -6.002 17.224 -13.594
315 HB3 ARG 22 2HB ARG 22 -6.257 18.478 -12.381
316 HG2 ARG 22 1HG ARG 22 -8.022 19.487 -13.693
317 HG3 ARG 22 2HG ARG 22 -7.724 18.375 -15.042
318 HD2 ARG 22 1HD ARG 22 -8.539 17.460 -12.265
319 HD3 ARG 22 2HD ARG 22 -9.691 17.787 -13.579
320 HE ARG 22 HE ARG 22 -7.691 16.003 -14.548
321 HH11 ARG 22 1HH1 ARG 22 -10.406 15.965 -12.285
322 HH12 ARG 22 2HH1 ARG 22 -10.711 14.267 -12.536
323 HH21 ARG 22 1HH2 ARG 22 -8.158 13.844 -14.831
324 HH22 ARG 22 2HH2 ARG 22 -9.455 13.092 -13.951
325 H GLY 23 H GLY 23 -3.317 17.656 -14.923
326 HA2 GLY 23 1HA GLY 23 -1.095 17.443 -14.257
327 HA3 GLY 23 2HA GLY 23 -1.338 18.716 -13.048
328 H PHE 24 H PHE 24 0.130 16.785 -12.135
329 HA PHE 24 HA PHE 24 -1.452 15.433 -10.097
330 HB2 PHE 24 1HB PHE 24 -0.716 13.172 -10.690
331 HB3 PHE 24 2HB PHE 24 -1.705 13.845 -11.989
332 HD1 PHE 24 HD2 PHE 24 -0.699 14.553 -14.112
333 HD2 PHE 24 HD1 PHE 24 1.635 12.698 -11.028
334 HE1 PHE 24 HE2 PHE 24 1.120 14.140 -15.741
335 HE2 PHE 24 HE1 PHE 24 3.452 12.240 -12.664
336 HZ PHE 24 HZ PHE 24 3.195 12.975 -15.039
337 H PHE 25 H PHE 25 0.379 13.977 -8.884
338 HA PHE 25 HA PHE 25 3.041 15.218 -9.282
339 HB2 PHE 25 1HB PHE 25 3.370 15.608 -6.940
340 HB3 PHE 25 2HB PHE 25 1.871 16.427 -7.401
341 HD1 PHE 25 HD1 PHE 25 -0.336 15.493 -6.675
342 HD2 PHE 25 HD2 PHE 25 3.388 13.769 -5.386
343 HE1 PHE 25 HE1 PHE 25 -1.535 14.244 -4.880
344 HE2 PHE 25 HE2 PHE 25 2.195 12.524 -3.589
345 HZ PHE 25 HZ PHE 25 -0.275 12.753 -3.344
346 H TYR 26 H TYR 26 4.719 13.874 -8.150
347 HA TYR 26 HA TYR 26 3.901 11.133 -7.467
348 HB2 TYR 26 1HB TYR 26 4.265 11.024 -9.925
349 HB3 TYR 26 2HB TYR 26 5.861 11.761 -9.722
350 HD1 TYR 26 HD2 TYR 26 3.858 8.808 -8.469
351 HD2 TYR 26 HD1 TYR 26 7.734 10.337 -9.559
352 HE1 TYR 26 HE2 TYR 26 4.864 6.555 -8.082
353 HE2 TYR 26 HE1 TYR 26 8.720 8.072 -9.197
354 HH TYR 26 HH TYR 26 8.343 5.916 -8.570
355 H THR 27 H THR 27 5.533 10.197 -6.103
356 HA THR 27 HA THR 27 7.605 12.180 -5.250
357 HB THR 27 HB THR 27 7.349 11.126 -2.982
358 HG1 THR 27 HG1 THR 27 5.021 10.214 -2.918
359 HG21 THR 27 1HG2 THR 27 6.262 13.295 -3.636
360 HG22 THR 27 2HG2 THR 27 5.353 12.391 -2.405
361 HG23 THR 27 3HG2 THR 27 4.808 12.378 -4.097
362 HA PRO 28 HA PRO 28 9.858 8.392 -6.504
363 HB2 PRO 28 1HB PRO 28 12.008 9.601 -7.654
364 HB3 PRO 28 2HB PRO 28 10.440 9.463 -8.510
365 HG2 PRO 28 1HG PRO 28 11.539 11.777 -6.943
366 HG3 PRO 28 2HG PRO 28 10.859 11.760 -8.602
367 HD2 PRO 28 1HD PRO 28 9.385 12.473 -6.439
368 HD3 PRO 28 2HD PRO 28 8.659 11.575 -7.812
369 H LYS 29 H LYS 29 12.147 7.704 -5.924
370 HA LYS 29 HA LYS 29 13.290 9.219 -3.631
371 HB2 LYS 29 1HB LYS 29 12.760 6.214 -3.706
372 HB3 LYS 29 2HB LYS 29 13.669 7.055 -2.444
373 HG2 LYS 29 1HG LYS 29 10.738 7.573 -3.079
374 HG3 LYS 29 2HG LYS 29 11.299 6.467 -1.819
375 HD2 LYS 29 1HD LYS 29 12.287 8.243 -0.545
376 HD3 LYS 29 2HD LYS 29 12.112 9.401 -1.873
377 HE2 LYS 29 1HE LYS 29 9.760 8.090 -0.471
378 HE3 LYS 29 2HE LYS 29 10.429 9.681 -0.040
379 HZ1 LYS 29 3HZ LYS 29 10.031 10.326 -2.405
380 HZ2 LYS 29 1HZ LYS 29 8.646 10.037 -1.550
381 HZ3 LYS 29 2HZ LYS 29 9.201 8.923 -2.634
382 H THR 30 H THR 30 15.448 9.371 -3.814
383 HA THR 30 HA THR 30 16.884 7.654 -5.785
384 HB THR 30 HB THR 30 18.106 9.814 -6.465
385 HG1 THR 30 HG1 THR 30 17.395 11.107 -4.721
386 HG21 THR 30 1HG2 THR 30 16.376 10.546 -8.053
387 HG22 THR 30 2HG2 THR 30 15.091 9.814 -7.085
388 HG23 THR 30 3HG2 THR 30 16.274 8.783 -7.914
389 HXT THR 30 H02 THR 30 19.505 7.710 -3.731
Start of MODEL 28
1 H1 GLY 1 3H0 GLY 1 3.091 -0.143 -0.028
2 H2 GLY 1 2H0 GLY 1 1.927 -0.766 -1.016
3 H3 GLY 1 1H0 GLY 1 3.440 -0.480 -1.605
4 HA2 GLY 1 1HA GLY 1 1.570 1.588 -0.651
5 HA3 GLY 1 2HA GLY 1 3.187 1.877 -1.325
6 H ILE 2 H ILE 2 1.003 3.137 -2.529
7 HA ILE 2 HA ILE 2 -0.318 1.587 -4.482
8 HB ILE 2 HB ILE 2 -0.990 3.854 -3.681
9 HG12 ILE 2 1HG1 ILE 2 -0.762 3.616 -6.697
10 HG13 ILE 2 2HG1 ILE 2 -1.907 2.716 -5.705
11 HG21 ILE 2 1HG2 ILE 2 -0.013 5.888 -4.662
12 HG22 ILE 2 2HG2 ILE 2 1.241 4.980 -3.806
13 HG23 ILE 2 3HG2 ILE 2 1.157 4.924 -5.582
14 HD11 ILE 2 3HD1 ILE 2 -2.896 4.891 -4.943
15 HD12 ILE 2 1HD1 ILE 2 -1.814 5.736 -6.083
16 HD13 ILE 2 2HD1 ILE 2 -3.039 4.603 -6.691
17 H VAL 3 H VAL 3 2.895 3.070 -4.624
18 HA VAL 3 HA VAL 3 3.258 2.868 -7.430
19 HB VAL 3 HB VAL 3 5.374 2.604 -5.244
20 HG11 VAL 3 1HG1 VAL 3 5.583 3.380 -8.196
21 HG12 VAL 3 2HG1 VAL 3 6.908 3.501 -7.017
22 HG13 VAL 3 3HG1 VAL 3 6.240 1.907 -7.445
23 HG21 VAL 3 3HG2 VAL 3 4.239 5.057 -6.662
24 HG22 VAL 3 1HG2 VAL 3 4.128 4.679 -4.925
25 HG23 VAL 3 2HG2 VAL 3 5.698 5.066 -5.646
26 H GLU 4 H GLU 4 3.778 0.479 -4.803
27 HA GLU 4 HA GLU 4 4.999 -1.496 -6.482
28 HB2 GLU 4 1HB GLU 4 3.450 -1.637 -3.882
29 HB3 GLU 4 2HB GLU 4 3.944 -3.097 -4.733
30 HG2 GLU 4 1HG GLU 4 5.620 -2.752 -3.172
31 HG3 GLU 4 2HG GLU 4 6.296 -2.194 -4.709
32 HE2 GLU 4 HE2 GLU 4 7.658 -1.183 -3.379
33 H GLN 5 H GLN 5 1.586 -0.881 -5.581
34 HA GLN 5 HA GLN 5 0.555 -3.232 -6.752
35 HB2 GLN 5 1HB GLN 5 -0.914 -0.579 -6.728
36 HB3 GLN 5 2HB GLN 5 -1.596 -2.204 -6.667
37 HG2 GLN 5 1HG GLN 5 -0.185 -0.662 -4.488
38 HG3 GLN 5 2HG GLN 5 -1.817 -1.322 -4.476
39 HE21 GLN 5 2HE2 GLN 5 -1.837 -3.831 -4.761
40 HE22 GLN 5 1HE2 GLN 5 -0.670 -4.684 -3.778
41 H CYS 6 H CYS 6 1.230 -0.037 -8.185
42 HA CYS 6 HA CYS 6 0.065 -0.838 -10.742
43 HB2 CYS 6 1HB CYS 6 1.825 1.539 -10.042
44 HB3 CYS 6 2HB CYS 6 0.905 1.324 -11.535
45 H CYS 7 H CYS 7 3.267 -0.867 -9.285
46 HA CYS 7 HA CYS 7 4.678 -1.152 -11.777
47 HB2 CYS 7 1HB CYS 7 5.612 -0.411 -9.527
48 HB3 CYS 7 2HB CYS 7 5.545 -2.101 -9.024
49 H THR 8 H THR 8 3.573 -3.476 -9.259
50 HA THR 8 HA THR 8 4.530 -5.707 -10.904
51 HB THR 8 HB THR 8 4.792 -5.584 -8.379
52 HG1 THR 8 HG1 THR 8 3.604 -7.796 -9.711
53 HG21 THR 8 1HG2 THR 8 1.988 -6.702 -8.250
54 HG22 THR 8 2HG2 THR 8 2.278 -4.960 -8.050
55 HG23 THR 8 3HG2 THR 8 3.031 -6.113 -6.934
56 H SER 9 H SER 9 1.468 -4.079 -10.497
57 HA SER 9 HA SER 9 0.265 -6.235 -12.134
58 HB2 SER 9 1HB SER 9 -0.241 -6.581 -9.630
59 HB3 SER 9 2HB SER 9 -1.205 -5.091 -9.715
60 HG SER 9 HG SER 9 -2.347 -7.146 -10.093
61 H ILE 10 H ILE 10 -2.322 -5.305 -12.346
62 HA ILE 10 HA ILE 10 -1.675 -3.037 -14.128
63 HB ILE 10 HB ILE 10 -4.267 -4.632 -13.894
64 HG12 ILE 10 1HG1 ILE 10 -2.356 -6.086 -14.521
65 HG13 ILE 10 2HG1 ILE 10 -3.587 -5.951 -15.770
66 HG21 ILE 10 1HG2 ILE 10 -4.685 -3.721 -16.211
67 HG22 ILE 10 2HG2 ILE 10 -4.671 -2.479 -14.952
68 HG23 ILE 10 3HG2 ILE 10 -3.257 -2.674 -16.013
69 HD11 ILE 10 3HD1 ILE 10 -2.202 -4.506 -17.102
70 HD12 ILE 10 1HD1 ILE 10 -1.003 -4.366 -15.804
71 HD13 ILE 10 2HD1 ILE 10 -1.246 -5.919 -16.632
72 H CYS 11 H CYS 11 -1.955 -1.013 -13.469
73 HA CYS 11 HA CYS 11 -4.161 -0.419 -11.549
74 HB2 CYS 11 1HB CYS 11 -1.658 1.034 -12.385
75 HB3 CYS 11 2HB CYS 11 -3.049 1.943 -11.782
76 H SER 12 H SER 12 -6.013 -0.211 -12.610
77 HA SER 12 HA SER 12 -6.187 0.899 -15.304
78 HB2 SER 12 1HB SER 12 -7.843 -0.737 -14.410
79 HB3 SER 12 2HB SER 12 -8.349 0.459 -13.199
80 HG SER 12 HG SER 12 -9.604 0.308 -15.238
81 H LEU 13 H LEU 13 -7.646 2.905 -15.598
82 HA LEU 13 HA LEU 13 -6.337 5.140 -14.571
83 HB2 LEU 13 1HB LEU 13 -8.073 6.458 -15.552
84 HB3 LEU 13 2HB LEU 13 -7.718 5.093 -16.593
85 HG LEU 13 HG LEU 13 -9.848 4.117 -15.153
86 HD11 LEU 13 1HD1 LEU 13 -10.336 7.092 -15.624
87 HD12 LEU 13 2HD1 LEU 13 -10.233 6.285 -14.039
88 HD13 LEU 13 3HD1 LEU 13 -11.562 5.896 -15.145
89 HD21 LEU 13 3HD2 LEU 13 -9.526 3.988 -17.575
90 HD22 LEU 13 1HD2 LEU 13 -9.915 5.720 -17.735
91 HD23 LEU 13 2HD2 LEU 13 -11.156 4.569 -17.183
92 H TYR 14 H TYR 14 -9.074 3.442 -13.112
93 HA TYR 14 HA TYR 14 -9.885 5.523 -11.349
94 HB2 TYR 14 1HB TYR 14 -10.006 2.550 -10.788
95 HB3 TYR 14 2HB TYR 14 -11.104 3.809 -10.212
96 HD1 TYR 14 HD1 TYR 14 -12.535 5.048 -12.021
97 HD2 TYR 14 HD2 TYR 14 -10.436 1.368 -12.784
98 HE1 TYR 14 HE1 TYR 14 -13.962 4.643 -14.029
99 HE2 TYR 14 HE2 TYR 14 -11.864 0.981 -14.800
100 HH TYR 14 HH TYR 14 -14.446 3.234 -15.772
101 H GLN 15 H GLN 15 -7.431 2.970 -11.059
102 HA GLN 15 HA GLN 15 -6.802 3.564 -8.271
103 HB2 GLN 15 1HB GLN 15 -5.327 2.043 -10.458
104 HB3 GLN 15 2HB GLN 15 -4.782 2.144 -8.784
105 HG2 GLN 15 1HG GLN 15 -7.442 0.967 -9.666
106 HG3 GLN 15 2HG GLN 15 -5.978 0.035 -9.317
107 HE21 GLN 15 2HE2 GLN 15 -8.835 0.678 -8.026
108 HE22 GLN 15 1HE2 GLN 15 -8.422 0.749 -6.331
109 H LEU 16 H LEU 16 -5.582 4.407 -11.479
110 HA LEU 16 HA LEU 16 -3.245 5.778 -10.599
111 HB2 LEU 16 1HB LEU 16 -4.874 5.952 -13.133
112 HB3 LEU 16 2HB LEU 16 -3.363 6.828 -12.898
113 HG LEU 16 HG LEU 16 -3.624 3.807 -12.692
114 HD11 LEU 16 1HD1 LEU 16 -4.113 4.544 -14.971
115 HD12 LEU 16 2HD1 LEU 16 -2.561 3.701 -14.885
116 HD13 LEU 16 3HD1 LEU 16 -2.595 5.477 -15.004
117 HD21 LEU 16 3HD2 LEU 16 -1.138 3.869 -12.955
118 HD22 LEU 16 1HD2 LEU 16 -1.695 4.636 -11.460
119 HD23 LEU 16 2HD2 LEU 16 -1.201 5.644 -12.839
120 H GLU 17 H GLU 17 -6.599 6.915 -10.967
121 HA GLU 17 HA GLU 17 -6.170 9.703 -10.857
122 HB2 GLU 17 1HB GLU 17 -8.337 7.889 -9.794
123 HB3 GLU 17 2HB GLU 17 -8.398 9.623 -9.486
124 HG2 GLU 17 1HG GLU 17 -8.096 8.605 -12.305
125 HG3 GLU 17 2HG GLU 17 -9.678 8.624 -11.522
126 HE2 GLU 17 HE2 GLU 17 -7.829 10.178 -13.406
127 H ASN 18 H ASN 18 -5.832 7.340 -8.246
128 HA ASN 18 HA ASN 18 -6.014 9.129 -6.045
129 HB2 ASN 18 1HB ASN 18 -4.490 6.539 -6.382
130 HB3 ASN 18 2HB ASN 18 -4.668 7.386 -4.841
131 HD21 ASN 18 2HD2 ASN 18 -5.809 4.872 -6.509
132 HD22 ASN 18 1HD2 ASN 18 -7.453 4.830 -5.907
133 H TYR 19 H TYR 19 -3.379 8.653 -8.323
134 HA TYR 19 HA TYR 19 -1.261 9.732 -6.625
135 HB2 TYR 19 1HB TYR 19 -1.630 9.348 -9.590
136 HB3 TYR 19 2HB TYR 19 -0.182 10.078 -8.936
137 HD1 TYR 19 HD2 TYR 19 -2.105 6.908 -9.159
138 HD2 TYR 19 HD1 TYR 19 1.542 8.782 -7.878
139 HE1 TYR 19 HE2 TYR 19 -1.047 4.675 -8.917
140 HE2 TYR 19 HE1 TYR 19 2.597 6.537 -7.635
141 HH TYR 19 HH TYR 19 0.815 3.518 -8.353
142 H CYS 20 H CYS 20 -4.011 11.135 -7.992
143 HA CYS 20 HA CYS 20 -2.671 13.775 -8.390
144 HB2 CYS 20 1HB CYS 20 -5.401 12.865 -9.359
145 HB3 CYS 20 2HB CYS 20 -4.493 14.302 -9.881
146 H ASN 21 H ASN 21 -3.438 15.506 -7.206
147 HA ASN 21 HA ASN 21 -4.259 16.631 -5.420
148 HB2 ASN 21 1HB ASN 21 -6.443 16.639 -6.328
149 HB3 ASN 21 2HB ASN 21 -6.706 14.938 -5.958
150 HD21 ASN 21 2HD2 ASN 21 -6.249 18.152 -4.488
151 HD22 ASN 21 1HD2 ASN 21 -7.093 17.756 -3.016
152 HXT ASN 21 H02 ASN 21 -4.947 13.403 -4.887
153 H1 PHE 1 3H0 PHE 1 -9.912 1.144 -21.793
154 H2 PHE 1 2H0 PHE 1 -9.993 2.792 -21.719
155 H3 PHE 1 1H0 PHE 1 -9.309 2.054 -23.029
156 HA PHE 1 HA PHE 1 -7.589 2.952 -21.633
157 HB2 PHE 1 1HB PHE 1 -9.064 2.755 -19.572
158 HB3 PHE 1 2HB PHE 1 -8.671 1.033 -19.534
159 HD1 PHE 1 HD2 PHE 1 -7.209 4.468 -19.317
160 HD2 PHE 1 HD1 PHE 1 -6.606 0.263 -18.581
161 HE1 PHE 1 HE2 PHE 1 -5.129 4.991 -18.056
162 HE2 PHE 1 HE1 PHE 1 -4.522 0.786 -17.317
163 HZ PHE 1 HZ PHE 1 -3.778 3.151 -17.062
164 H VAL 2 H VAL 2 -5.522 1.842 -21.563
165 HA VAL 2 HA VAL 2 -5.697 -0.920 -22.707
166 HB VAL 2 HB VAL 2 -3.412 1.117 -22.848
167 HG11 VAL 2 1HG1 VAL 2 -3.737 -1.623 -24.164
168 HG12 VAL 2 2HG1 VAL 2 -2.418 -0.477 -24.486
169 HG13 VAL 2 3HG1 VAL 2 -2.576 -1.207 -22.878
170 HG21 VAL 2 3HG2 VAL 2 -5.417 0.221 -24.971
171 HG22 VAL 2 1HG2 VAL 2 -5.275 1.845 -24.257
172 HG23 VAL 2 2HG2 VAL 2 -3.977 1.218 -25.285
173 H ASN 3 H ASN 3 -5.123 -2.526 -21.348
174 HA ASN 3 HA ASN 3 -4.111 -1.874 -18.709
175 HB2 ASN 3 1HB ASN 3 -4.476 -4.525 -20.146
176 HB3 ASN 3 2HB ASN 3 -3.887 -4.371 -18.485
177 HD21 ASN 3 2HD2 ASN 3 -6.313 -5.691 -19.452
178 HD22 ASN 3 1HD2 ASN 3 -7.645 -4.889 -18.656
179 H GLN 4 H GLN 4 -2.115 -1.756 -18.015
180 HA GLN 4 HA GLN 4 -0.009 -3.426 -19.099
181 HB2 GLN 4 1HB GLN 4 1.499 -1.459 -19.560
182 HB3 GLN 4 2HB GLN 4 0.192 -1.628 -20.734
183 HG2 GLN 4 1HG GLN 4 -1.086 0.147 -19.574
184 HG3 GLN 4 2HG GLN 4 0.236 0.336 -18.423
185 HE21 GLN 4 2HE2 GLN 4 -1.098 1.383 -21.303
186 HE22 GLN 4 1HE2 GLN 4 0.274 2.280 -21.914
187 H HIS 5 H HIS 5 1.653 -3.490 -17.536
188 HA HIS 5 HA HIS 5 1.042 -2.431 -14.871
189 HB2 HIS 5 1HB HIS 5 3.651 -3.564 -15.973
190 HB3 HIS 5 2HB HIS 5 3.262 -3.282 -14.271
191 HD1 HIS 5 HD1 HIS 5 0.618 -4.562 -13.839
192 HD2 HIS 5 HD2 HIS 5 3.473 -6.257 -16.312
193 HE1 HIS 5 HE1 HIS 5 0.059 -7.057 -14.034
194 HE2 HIS 5 HE2 HIS 5 1.827 -8.063 -15.525
195 H LEU 6 H LEU 6 2.020 -0.620 -13.897
196 HA LEU 6 HA LEU 6 3.463 1.208 -15.781
197 HB2 LEU 6 1HB LEU 6 1.301 1.683 -13.729
198 HB3 LEU 6 2HB LEU 6 2.420 2.939 -14.159
199 HG LEU 6 HG LEU 6 0.769 3.592 -15.442
200 HD11 LEU 6 1HD1 LEU 6 2.515 3.057 -17.065
201 HD12 LEU 6 2HD1 LEU 6 0.905 2.895 -17.775
202 HD13 LEU 6 3HD1 LEU 6 1.814 1.444 -17.308
203 HD21 LEU 6 3HD2 LEU 6 -0.818 1.959 -14.669
204 HD22 LEU 6 1HD2 LEU 6 -0.167 0.762 -15.810
205 HD23 LEU 6 2HD2 LEU 6 -0.983 2.222 -16.414
206 H CYS 7 H CYS 7 5.533 1.295 -15.174
207 HA CYS 7 HA CYS 7 6.068 1.983 -12.342
208 HB2 CYS 7 1HB CYS 7 6.354 -0.582 -13.024
209 HB3 CYS 7 2HB CYS 7 7.878 0.001 -13.701
210 H GLY 8 H GLY 8 8.095 3.156 -12.113
211 HA2 GLY 8 1HA GLY 8 9.715 4.637 -12.850
212 HA3 GLY 8 2HA GLY 8 9.839 3.646 -14.313
213 H SER 9 H SER 9 9.998 5.309 -15.790
214 HA SER 9 HA SER 9 8.393 7.643 -15.830
215 HB2 SER 9 1HB SER 9 10.466 7.374 -17.125
216 HB3 SER 9 2HB SER 9 9.680 6.153 -18.150
217 HG SER 9 HG SER 9 9.736 8.432 -18.916
218 H HIS 10 H HIS 10 7.640 4.362 -16.978
219 HA HIS 10 HA HIS 10 5.480 5.054 -18.714
220 HB2 HIS 10 1HB HIS 10 6.461 2.647 -17.357
221 HB3 HIS 10 2HB HIS 10 4.702 2.680 -17.456
222 HD1 HIS 10 HD1 HIS 10 3.604 2.223 -19.760
223 HD2 HIS 10 HD2 HIS 10 7.789 2.611 -19.904
224 HE1 HIS 10 HE1 HIS 10 4.338 1.524 -22.088
225 HE2 HIS 10 HE2 HIS 10 6.857 1.763 -22.165
226 H LEU 11 H LEU 11 5.652 4.734 -15.174
227 HA LEU 11 HA LEU 11 2.799 4.884 -14.767
228 HB2 LEU 11 1HB LEU 11 4.383 3.975 -13.116
229 HB3 LEU 11 2HB LEU 11 5.146 5.544 -12.961
230 HG LEU 11 HG LEU 11 3.262 6.460 -11.802
231 HD11 LEU 11 1HD1 LEU 11 1.873 3.778 -12.141
232 HD12 LEU 11 2HD1 LEU 11 1.401 5.298 -12.947
233 HD13 LEU 11 3HD1 LEU 11 1.294 5.160 -11.185
234 HD21 LEU 11 3HD2 LEU 11 3.381 5.064 -9.805
235 HD22 LEU 11 1HD2 LEU 11 4.965 5.089 -10.604
236 HD23 LEU 11 2HD2 LEU 11 3.907 3.666 -10.768
237 H VAL 12 H VAL 12 5.438 7.290 -14.757
238 HA VAL 12 HA VAL 12 3.836 9.522 -14.030
239 HB VAL 12 HB VAL 12 6.332 9.427 -15.797
240 HG11 VAL 12 1HG1 VAL 12 5.134 11.718 -14.193
241 HG12 VAL 12 2HG1 VAL 12 6.684 11.756 -15.067
242 HG13 VAL 12 3HG1 VAL 12 5.164 11.579 -15.966
243 HG21 VAL 12 3HG2 VAL 12 6.776 8.352 -13.652
244 HG22 VAL 12 1HG2 VAL 12 7.543 9.949 -13.663
245 HG23 VAL 12 2HG2 VAL 12 6.021 9.704 -12.775
246 H GLU 13 H GLU 13 4.682 8.176 -17.250
247 HA GLU 13 HA GLU 13 3.318 10.239 -18.708
248 HB2 GLU 13 1HB GLU 13 4.133 7.416 -19.450
249 HB3 GLU 13 2HB GLU 13 3.428 8.570 -20.593
250 HG2 GLU 13 1HG GLU 13 6.024 8.959 -19.060
251 HG3 GLU 13 2HG GLU 13 5.880 8.534 -20.769
252 HE2 GLU 13 HE2 GLU 13 5.975 12.203 -19.789
253 H ALA 14 H ALA 14 2.206 7.198 -17.253
254 HA ALA 14 HA ALA 14 -0.301 7.161 -18.681
255 HB1 ALA 14 3HB ALA 14 0.657 5.204 -17.528
256 HB2 ALA 14 1HB ALA 14 0.431 6.017 -15.962
257 HB3 ALA 14 2HB ALA 14 -0.983 5.572 -16.949
258 H LEU 15 H LEU 15 0.852 8.666 -15.669
259 HA LEU 15 HA LEU 15 -1.736 9.424 -14.721
260 HB2 LEU 15 1HB LEU 15 1.040 10.500 -14.190
261 HB3 LEU 15 2HB LEU 15 -0.398 11.081 -13.354
262 HG LEU 15 HG LEU 15 0.505 8.191 -13.304
263 HD11 LEU 15 1HD1 LEU 15 0.887 10.304 -11.171
264 HD12 LEU 15 2HD1 LEU 15 2.173 9.655 -12.215
265 HD13 LEU 15 3HD1 LEU 15 1.339 8.587 -11.069
266 HD21 LEU 15 3HD2 LEU 15 -1.042 8.078 -11.402
267 HD22 LEU 15 1HD2 LEU 15 -1.848 8.458 -12.924
268 HD23 LEU 15 2HD2 LEU 15 -1.539 9.752 -11.748
269 H TYR 16 H TYR 16 0.500 10.996 -16.977
270 HA TYR 16 HA TYR 16 -0.786 13.549 -17.067
271 HB2 TYR 16 1HB TYR 16 0.785 11.915 -19.073
272 HB3 TYR 16 2HB TYR 16 -0.049 13.381 -19.585
273 HD1 TYR 16 HD2 TYR 16 0.503 15.599 -18.447
274 HD2 TYR 16 HD1 TYR 16 2.925 12.077 -17.977
275 HE1 TYR 16 HE2 TYR 16 2.415 17.008 -17.674
276 HE2 TYR 16 HE1 TYR 16 4.836 13.493 -17.230
277 HH TYR 16 HH TYR 16 5.564 15.614 -16.754
278 H LEU 17 H LEU 17 -1.495 10.460 -18.730
279 HA LEU 17 HA LEU 17 -3.621 11.591 -20.321
280 HB2 LEU 17 1HB LEU 17 -3.152 8.728 -19.444
281 HB3 LEU 17 2HB LEU 17 -4.260 9.260 -20.694
282 HG LEU 17 HG LEU 17 -1.242 9.584 -20.830
283 HD11 LEU 17 1HD1 LEU 17 -1.908 7.208 -20.738
284 HD12 LEU 17 2HD1 LEU 17 -1.288 7.647 -22.343
285 HD13 LEU 17 3HD1 LEU 17 -3.040 7.470 -22.086
286 HD21 LEU 17 3HD2 LEU 17 -1.657 9.926 -23.252
287 HD22 LEU 17 1HD2 LEU 17 -2.431 11.178 -22.263
288 HD23 LEU 17 2HD2 LEU 17 -3.411 9.862 -22.954
289 H VAL 18 H VAL 18 -3.537 9.766 -17.260
290 HA VAL 18 HA VAL 18 -6.383 9.388 -17.165
291 HB VAL 18 HB VAL 18 -4.196 9.167 -15.053
292 HG11 VAL 18 1HG1 VAL 18 -6.175 9.543 -13.787
293 HG12 VAL 18 2HG1 VAL 18 -7.157 8.504 -14.853
294 HG13 VAL 18 3HG1 VAL 18 -5.924 7.796 -13.786
295 HG21 VAL 18 3HG2 VAL 18 -4.535 6.769 -15.420
296 HG22 VAL 18 1HG2 VAL 18 -5.764 7.118 -16.649
297 HG23 VAL 18 2HG2 VAL 18 -4.076 7.587 -16.913
298 H CYS 19 H CYS 19 -4.216 11.707 -15.529
299 HA CYS 19 HA CYS 19 -6.636 12.958 -14.355
300 HB2 CYS 19 1HB CYS 19 -3.686 13.313 -13.816
301 HB3 CYS 19 2HB CYS 19 -4.954 14.319 -13.077
302 H GLY 20 H GLY 20 -4.733 13.261 -17.153
303 HA2 GLY 20 1HA GLY 20 -4.848 14.835 -18.813
304 HA3 GLY 20 2HA GLY 20 -6.351 15.380 -18.058
305 H GLU 21 H GLU 21 -6.098 17.489 -18.422
306 HA GLU 21 HA GLU 21 -3.670 18.923 -18.033
307 HB2 GLU 21 1HB GLU 21 -6.550 19.850 -18.245
308 HB3 GLU 21 2HB GLU 21 -5.145 20.922 -18.317
309 HG2 GLU 21 1HG GLU 21 -4.341 19.743 -20.331
310 HG3 GLU 21 2HG GLU 21 -5.745 18.667 -20.268
311 HE2 GLU 21 HE2 GLU 21 -6.049 21.880 -22.229
312 H ARG 22 H ARG 22 -5.739 17.784 -15.516
313 HA ARG 22 HA ARG 22 -5.564 20.187 -13.904
314 HB2 ARG 22 1HB ARG 22 -6.808 19.093 -12.359
315 HB3 ARG 22 2HB ARG 22 -7.229 18.153 -13.792
316 HG2 ARG 22 1HG ARG 22 -5.398 16.524 -13.097
317 HG3 ARG 22 2HG ARG 22 -5.295 17.435 -11.578
318 HD2 ARG 22 1HD ARG 22 -6.730 15.732 -11.058
319 HD3 ARG 22 2HD ARG 22 -7.827 17.077 -11.442
320 HE ARG 22 HE ARG 22 -7.524 15.810 -13.847
321 HH11 ARG 22 1HH1 ARG 22 -8.438 14.595 -10.654
322 HH12 ARG 22 2HH1 ARG 22 -9.363 13.265 -11.313
323 HH21 ARG 22 1HH2 ARG 22 -8.780 14.128 -14.610
324 HH22 ARG 22 2HH2 ARG 22 -9.561 13.027 -13.505
325 H GLY 23 H GLY 23 -3.340 17.717 -14.707
326 HA2 GLY 23 1HA GLY 23 -1.101 17.591 -14.049
327 HA3 GLY 23 2HA GLY 23 -1.410 18.767 -12.761
328 H PHE 24 H PHE 24 0.146 16.808 -11.974
329 HA PHE 24 HA PHE 24 -1.410 15.316 -10.024
330 HB2 PHE 24 1HB PHE 24 -0.772 13.096 -10.764
331 HB3 PHE 24 2HB PHE 24 -1.698 13.888 -12.044
332 HD1 PHE 24 HD2 PHE 24 -0.610 14.656 -14.108
333 HD2 PHE 24 HD1 PHE 24 1.544 12.537 -11.069
334 HE1 PHE 24 HE2 PHE 24 1.215 14.203 -15.717
335 HE2 PHE 24 HE1 PHE 24 3.356 12.041 -12.670
336 HZ PHE 24 HZ PHE 24 3.209 12.890 -15.016
337 H PHE 25 H PHE 25 0.297 13.762 -8.875
338 HA PHE 25 HA PHE 25 3.044 14.874 -9.147
339 HB2 PHE 25 1HB PHE 25 3.295 14.805 -6.680
340 HB3 PHE 25 2HB PHE 25 2.128 16.020 -7.208
341 HD1 PHE 25 HD2 PHE 25 2.449 12.627 -5.678
342 HD2 PHE 25 HD1 PHE 25 -0.145 15.956 -6.510
343 HE1 PHE 25 HE2 PHE 25 0.723 11.650 -4.174
344 HE2 PHE 25 HE1 PHE 25 -1.856 15.002 -4.986
345 HZ PHE 25 HZ PHE 25 -1.441 12.842 -3.823
346 H TYR 26 H TYR 26 4.586 13.320 -7.965
347 HA TYR 26 HA TYR 26 3.543 10.528 -8.093
348 HB2 TYR 26 1HB TYR 26 4.723 10.852 -10.182
349 HB3 TYR 26 2HB TYR 26 6.082 11.626 -9.349
350 HD1 TYR 26 HD1 TYR 26 4.148 8.374 -9.061
351 HD2 TYR 26 HD2 TYR 26 7.992 10.317 -9.082
352 HE1 TYR 26 HE1 TYR 26 5.275 6.177 -8.702
353 HE2 TYR 26 HE2 TYR 26 9.102 8.108 -8.781
354 HH TYR 26 HH TYR 26 8.832 5.881 -8.521
355 H THR 27 H THR 27 4.474 9.163 -6.616
356 HA THR 27 HA THR 27 5.974 10.492 -4.418
357 HB THR 27 HB THR 27 4.141 9.684 -3.308
358 HG1 THR 27 HG1 THR 27 5.818 7.407 -3.633
359 HG21 THR 27 1HG2 THR 27 3.988 7.577 -5.474
360 HG22 THR 27 2HG2 THR 27 2.880 8.948 -5.187
361 HG23 THR 27 3HG2 THR 27 2.933 7.594 -4.041
362 HA PRO 28 HA PRO 28 9.055 7.666 -6.253
363 HB2 PRO 28 1HB PRO 28 11.276 9.098 -5.628
364 HB3 PRO 28 2HB PRO 28 10.169 9.609 -6.943
365 HG2 PRO 28 1HG PRO 28 10.328 10.578 -4.110
366 HG3 PRO 28 2HG PRO 28 10.223 11.524 -5.627
367 HD2 PRO 28 1HD PRO 28 8.060 10.954 -4.028
368 HD3 PRO 28 2HD PRO 28 7.910 11.169 -5.802
369 H LYS 29 H LYS 29 11.049 6.552 -5.249
370 HA LYS 29 HA LYS 29 11.179 6.548 -2.344
371 HB2 LYS 29 1HB LYS 29 10.700 4.221 -2.123
372 HB3 LYS 29 2HB LYS 29 9.303 4.948 -2.902
373 HG2 LYS 29 1HG LYS 29 10.173 4.094 -5.098
374 HG3 LYS 29 2HG LYS 29 11.499 3.305 -4.218
375 HD2 LYS 29 1HD LYS 29 9.687 2.137 -2.836
376 HD3 LYS 29 2HD LYS 29 8.541 2.694 -4.073
377 HE2 LYS 29 1HE LYS 29 11.004 0.946 -4.492
378 HE3 LYS 29 2HE LYS 29 9.312 0.419 -4.584
379 HZ1 LYS 29 3HZ LYS 29 10.238 0.796 -6.777
380 HZ2 LYS 29 1HZ LYS 29 10.622 2.356 -6.407
381 HZ3 LYS 29 2HZ LYS 29 9.039 1.897 -6.495
382 H THR 30 H THR 30 13.113 5.320 -1.721
383 HA THR 30 HA THR 30 15.106 5.196 -3.927
384 HB THR 30 HB THR 30 16.687 5.165 -1.856
385 HG1 THR 30 HG1 THR 30 15.588 5.995 0.032
386 HG21 THR 30 1HG2 THR 30 16.262 7.249 -3.216
387 HG22 THR 30 2HG2 THR 30 16.365 7.644 -1.493
388 HG23 THR 30 3HG2 THR 30 14.783 7.566 -2.294
389 HXT THR 30 H02 THR 30 16.569 3.705 -3.712
Start of MODEL 29
1 H1 GLY 1 3H0 GLY 1 1.606 -1.577 -0.833
2 H2 GLY 1 2H0 GLY 1 3.147 -1.564 -1.418
3 H3 GLY 1 1H0 GLY 1 2.868 -1.247 0.176
4 HA2 GLY 1 1HA GLY 1 1.698 0.780 -0.354
5 HA3 GLY 1 2HA GLY 1 3.353 0.799 -0.994
6 H ILE 2 H ILE 2 1.271 2.468 -2.071
7 HA ILE 2 HA ILE 2 -0.171 1.201 -4.124
8 HB ILE 2 HB ILE 2 -0.651 3.441 -3.096
9 HG12 ILE 2 1HG1 ILE 2 -0.613 3.369 -6.128
10 HG13 ILE 2 2HG1 ILE 2 -1.770 2.516 -5.111
11 HG21 ILE 2 1HG2 ILE 2 0.396 5.475 -3.925
12 HG22 ILE 2 2HG2 ILE 2 1.683 4.407 -3.342
13 HG23 ILE 2 3HG2 ILE 2 1.380 4.569 -5.091
14 HD11 ILE 2 3HD1 ILE 2 -1.456 5.537 -5.351
15 HD12 ILE 2 1HD1 ILE 2 -2.794 4.540 -5.950
16 HD13 ILE 2 2HD1 ILE 2 -2.546 4.722 -4.199
17 H VAL 3 H VAL 3 3.066 2.720 -4.377
18 HA VAL 3 HA VAL 3 3.197 2.428 -7.220
19 HB VAL 3 HB VAL 3 4.645 3.996 -5.988
20 HG11 VAL 3 1HG1 VAL 3 6.574 3.257 -4.680
21 HG12 VAL 3 2HG1 VAL 3 5.078 2.634 -3.959
22 HG13 VAL 3 3HG1 VAL 3 6.133 1.557 -4.917
23 HG21 VAL 3 3HG2 VAL 3 6.265 1.879 -7.465
24 HG22 VAL 3 1HG2 VAL 3 5.338 3.198 -8.219
25 HG23 VAL 3 2HG2 VAL 3 6.734 3.571 -7.189
26 H GLU 4 H GLU 4 3.962 0.265 -4.541
27 HA GLU 4 HA GLU 4 5.299 -1.744 -6.075
28 HB2 GLU 4 1HB GLU 4 5.307 -1.502 -3.578
29 HB3 GLU 4 2HB GLU 4 3.611 -1.961 -3.566
30 HG2 GLU 4 1HG GLU 4 4.253 -4.178 -4.525
31 HG3 GLU 4 2HG GLU 4 5.947 -3.715 -4.285
32 HE2 GLU 4 HE2 GLU 4 5.580 -5.645 -3.086
33 H GLN 5 H GLN 5 1.882 -1.205 -5.152
34 HA GLN 5 HA GLN 5 0.884 -3.623 -6.304
35 HB2 GLN 5 1HB GLN 5 -0.401 -0.933 -5.727
36 HB3 GLN 5 2HB GLN 5 -1.311 -2.335 -6.304
37 HG2 GLN 5 1HG GLN 5 -0.920 -3.560 -4.320
38 HG3 GLN 5 2HG GLN 5 0.403 -2.503 -3.816
39 HE21 GLN 5 2HE2 GLN 5 -3.082 -2.852 -4.023
40 HE22 GLN 5 1HE2 GLN 5 -3.453 -1.531 -2.941
41 H CYS 6 H CYS 6 1.341 -0.325 -7.650
42 HA CYS 6 HA CYS 6 0.126 -1.031 -10.189
43 HB2 CYS 6 1HB CYS 6 1.771 1.279 -9.163
44 HB3 CYS 6 2HB CYS 6 1.434 1.111 -10.896
45 H CYS 7 H CYS 7 3.373 -1.272 -8.880
46 HA CYS 7 HA CYS 7 4.688 -1.643 -11.413
47 HB2 CYS 7 1HB CYS 7 5.712 -1.003 -9.160
48 HB3 CYS 7 2HB CYS 7 5.551 -2.699 -8.698
49 H THR 8 H THR 8 3.379 -3.876 -8.909
50 HA THR 8 HA THR 8 4.217 -6.181 -10.509
51 HB THR 8 HB THR 8 4.347 -6.069 -7.968
52 HG1 THR 8 HG1 THR 8 3.052 -8.177 -9.360
53 HG21 THR 8 1HG2 THR 8 1.404 -6.814 -8.092
54 HG22 THR 8 2HG2 THR 8 1.979 -5.187 -7.656
55 HG23 THR 8 3HG2 THR 8 2.416 -6.583 -6.654
56 H SER 9 H SER 9 1.252 -4.347 -10.248
57 HA SER 9 HA SER 9 -0.034 -6.486 -11.868
58 HB2 SER 9 1HB SER 9 -2.088 -6.383 -10.585
59 HB3 SER 9 2HB SER 9 -0.767 -6.669 -9.436
60 HG SER 9 HG SER 9 -0.783 -4.307 -9.134
61 H ILE 10 H ILE 10 -2.422 -5.431 -12.501
62 HA ILE 10 HA ILE 10 -1.421 -3.425 -14.350
63 HB ILE 10 HB ILE 10 -4.218 -4.569 -13.993
64 HG12 ILE 10 1HG1 ILE 10 -2.492 -6.244 -14.626
65 HG13 ILE 10 2HG1 ILE 10 -3.721 -6.005 -15.864
66 HG21 ILE 10 1HG2 ILE 10 -3.071 -2.787 -16.195
67 HG22 ILE 10 2HG2 ILE 10 -4.617 -3.668 -16.310
68 HG23 ILE 10 3HG2 ILE 10 -4.407 -2.409 -15.085
69 HD11 ILE 10 3HD1 ILE 10 -2.165 -4.695 -17.220
70 HD12 ILE 10 1HD1 ILE 10 -0.935 -4.787 -15.951
71 HD13 ILE 10 2HD1 ILE 10 -1.443 -6.256 -16.804
72 H CYS 11 H CYS 11 -1.232 -1.401 -13.928
73 HA CYS 11 HA CYS 11 -2.755 -0.172 -11.731
74 HB2 CYS 11 1HB CYS 11 -0.253 0.081 -12.183
75 HB3 CYS 11 2HB CYS 11 -0.694 1.050 -13.570
76 H SER 12 H SER 12 -4.795 -0.493 -12.921
77 HA SER 12 HA SER 12 -5.340 0.787 -15.422
78 HB2 SER 12 1HB SER 12 -7.236 0.159 -13.127
79 HB3 SER 12 2HB SER 12 -7.688 0.425 -14.827
80 HG SER 12 HG SER 12 -6.710 -1.471 -15.379
81 H LEU 13 H LEU 13 -7.005 2.587 -15.634
82 HA LEU 13 HA LEU 13 -5.976 4.976 -14.615
83 HB2 LEU 13 1HB LEU 13 -7.893 6.060 -15.544
84 HB3 LEU 13 2HB LEU 13 -7.366 4.770 -16.615
85 HG LEU 13 HG LEU 13 -9.307 3.474 -15.175
86 HD11 LEU 13 1HD1 LEU 13 -9.984 5.521 -13.984
87 HD12 LEU 13 2HD1 LEU 13 -11.263 4.989 -15.092
88 HD13 LEU 13 3HD1 LEU 13 -10.222 6.362 -15.535
89 HD21 LEU 13 3HD2 LEU 13 -10.712 3.789 -17.169
90 HD22 LEU 13 1HD2 LEU 13 -9.023 3.467 -17.613
91 HD23 LEU 13 2HD2 LEU 13 -9.665 5.127 -17.702
92 H TYR 14 H TYR 14 -8.354 2.866 -13.090
93 HA TYR 14 HA TYR 14 -9.361 4.797 -11.230
94 HB2 TYR 14 1HB TYR 14 -9.084 1.807 -10.814
95 HB3 TYR 14 2HB TYR 14 -10.267 2.893 -10.071
96 HD1 TYR 14 HD2 TYR 14 -11.870 4.159 -11.791
97 HD2 TYR 14 HD1 TYR 14 -9.674 0.573 -12.724
98 HE1 TYR 14 HE2 TYR 14 -13.420 3.694 -13.694
99 HE2 TYR 14 HE1 TYR 14 -11.222 0.130 -14.632
100 HH TYR 14 HH TYR 14 -13.100 0.810 -15.759
101 H GLN 15 H GLN 15 -6.588 2.560 -11.191
102 HA GLN 15 HA GLN 15 -5.868 3.106 -8.442
103 HB2 GLN 15 1HB GLN 15 -4.048 2.158 -10.687
104 HB3 GLN 15 2HB GLN 15 -3.811 1.944 -8.953
105 HG2 GLN 15 1HG GLN 15 -5.861 0.589 -10.739
106 HG3 GLN 15 2HG GLN 15 -4.516 -0.163 -9.875
107 HE21 GLN 15 2HE2 GLN 15 -4.628 -0.144 -7.484
108 HE22 GLN 15 1HE2 GLN 15 -6.205 -0.222 -6.738
109 H LEU 16 H LEU 16 -5.020 4.360 -11.644
110 HA LEU 16 HA LEU 16 -2.940 6.117 -10.786
111 HB2 LEU 16 1HB LEU 16 -4.753 6.134 -13.195
112 HB3 LEU 16 2HB LEU 16 -3.416 7.261 -12.986
113 HG LEU 16 HG LEU 16 -3.060 4.244 -12.950
114 HD11 LEU 16 1HD1 LEU 16 -3.935 4.913 -15.124
115 HD12 LEU 16 2HD1 LEU 16 -2.238 4.433 -15.238
116 HD13 LEU 16 3HD1 LEU 16 -2.671 6.160 -15.264
117 HD21 LEU 16 3HD2 LEU 16 -1.084 6.519 -13.352
118 HD22 LEU 16 1HD2 LEU 16 -0.710 4.786 -13.411
119 HD23 LEU 16 2HD2 LEU 16 -1.237 5.517 -11.890
120 H GLU 17 H GLU 17 -6.477 6.562 -10.948
121 HA GLU 17 HA GLU 17 -6.509 9.381 -10.521
122 HB2 GLU 17 1HB GLU 17 -8.400 7.133 -9.837
123 HB3 GLU 17 2HB GLU 17 -8.722 8.767 -9.259
124 HG2 GLU 17 1HG GLU 17 -8.236 8.225 -12.187
125 HG3 GLU 17 2HG GLU 17 -9.825 8.002 -11.454
126 HE2 GLU 17 HE2 GLU 17 -10.838 9.623 -10.743
127 H ASN 18 H ASN 18 -5.775 6.752 -8.283
128 HA ASN 18 HA ASN 18 -6.212 8.341 -5.888
129 HB2 ASN 18 1HB ASN 18 -4.754 5.747 -6.422
130 HB3 ASN 18 2HB ASN 18 -4.683 6.542 -4.850
131 HD21 ASN 18 2HD2 ASN 18 -6.816 4.965 -7.181
132 HD22 ASN 18 1HD2 ASN 18 -8.090 4.656 -6.031
133 H TYR 19 H TYR 19 -3.542 8.016 -8.160
134 HA TYR 19 HA TYR 19 -1.556 9.294 -6.400
135 HB2 TYR 19 1HB TYR 19 -1.698 8.830 -9.380
136 HB3 TYR 19 2HB TYR 19 -0.340 9.613 -8.593
137 HD1 TYR 19 HD1 TYR 19 -2.173 6.403 -8.960
138 HD2 TYR 19 HD2 TYR 19 1.354 8.343 -7.471
139 HE1 TYR 19 HE1 TYR 19 -1.090 4.198 -8.667
140 HE2 TYR 19 HE2 TYR 19 2.432 6.129 -7.173
141 HH TYR 19 HH TYR 19 0.772 3.077 -8.024
142 H CYS 20 H CYS 20 -4.074 10.131 -8.664
143 HA CYS 20 HA CYS 20 -2.998 12.660 -9.497
144 HB2 CYS 20 1HB CYS 20 -4.603 11.054 -10.720
145 HB3 CYS 20 2HB CYS 20 -5.881 11.771 -9.730
146 H ASN 21 H ASN 21 -2.653 14.029 -7.793
147 HA ASN 21 HA ASN 21 -5.100 15.214 -6.598
148 HB2 ASN 21 1HB ASN 21 -3.997 13.506 -5.018
149 HB3 ASN 21 2HB ASN 21 -2.624 14.611 -4.913
150 HD21 ASN 21 2HD2 ASN 21 -5.462 13.697 -3.504
151 HD22 ASN 21 1HD2 ASN 21 -5.835 15.169 -2.642
152 HXT ASN 21 H02 ASN 21 -3.680 18.164 -7.043
153 H1 PHE 1 3H0 PHE 1 -8.434 2.620 -22.642
154 H2 PHE 1 2H0 PHE 1 -8.114 4.217 -22.372
155 H3 PHE 1 1H0 PHE 1 -7.409 3.436 -23.642
156 HA PHE 1 HA PHE 1 -5.804 3.724 -21.896
157 HB2 PHE 1 1HB PHE 1 -7.684 3.718 -20.144
158 HB3 PHE 1 2HB PHE 1 -7.637 1.953 -20.239
159 HD1 PHE 1 HD1 PHE 1 -5.664 4.995 -19.358
160 HD2 PHE 1 HD2 PHE 1 -5.915 0.698 -19.105
161 HE1 PHE 1 HE1 PHE 1 -3.786 4.985 -17.730
162 HE2 PHE 1 HE2 PHE 1 -4.035 0.686 -17.472
163 HZ PHE 1 HZ PHE 1 -2.963 2.829 -16.789
164 H VAL 2 H VAL 2 -4.154 2.046 -21.528
165 HA VAL 2 HA VAL 2 -4.831 -0.546 -22.879
166 HB VAL 2 HB VAL 2 -2.165 0.972 -22.936
167 HG11 VAL 2 1HG1 VAL 2 -2.995 -1.653 -24.266
168 HG12 VAL 2 2HG1 VAL 2 -1.451 -0.811 -24.526
169 HG13 VAL 2 3HG1 VAL 2 -1.835 -1.478 -22.927
170 HG21 VAL 2 3HG2 VAL 2 -4.226 0.494 -25.138
171 HG22 VAL 2 1HG2 VAL 2 -3.764 2.059 -24.427
172 HG23 VAL 2 2HG2 VAL 2 -2.595 1.154 -25.400
173 H ASN 3 H ASN 3 -4.499 -2.285 -21.545
174 HA ASN 3 HA ASN 3 -3.587 -1.738 -18.838
175 HB2 ASN 3 1HB ASN 3 -4.281 -4.327 -20.265
176 HB3 ASN 3 2HB ASN 3 -3.747 -4.237 -18.581
177 HD21 ASN 3 2HD2 ASN 3 -6.318 -5.148 -19.723
178 HD22 ASN 3 1HD2 ASN 3 -7.538 -4.156 -18.962
179 H GLN 4 H GLN 4 -1.625 -1.771 -18.105
180 HA GLN 4 HA GLN 4 0.222 -3.870 -18.854
181 HB2 GLN 4 1HB GLN 4 2.067 -2.308 -19.472
182 HB3 GLN 4 2HB GLN 4 0.770 -2.316 -20.669
183 HG2 GLN 4 1HG GLN 4 -0.130 -0.216 -19.651
184 HG3 GLN 4 2HG GLN 4 1.269 -0.196 -18.572
185 HE21 GLN 4 2HE2 GLN 4 0.282 -0.146 -21.972
186 HE22 GLN 4 1HE2 GLN 4 1.667 0.754 -22.541
187 H HIS 5 H HIS 5 1.824 -3.961 -17.227
188 HA HIS 5 HA HIS 5 1.151 -2.746 -14.666
189 HB2 HIS 5 1HB HIS 5 3.749 -4.061 -15.567
190 HB3 HIS 5 2HB HIS 5 3.260 -3.732 -13.903
191 HD1 HIS 5 HD1 HIS 5 0.481 -4.831 -13.714
192 HD2 HIS 5 HD2 HIS 5 3.458 -6.764 -15.836
193 HE1 HIS 5 HE1 HIS 5 -0.199 -7.298 -13.888
194 HE2 HIS 5 HE2 HIS 5 1.643 -8.447 -15.169
195 H LEU 6 H LEU 6 2.231 -0.955 -13.647
196 HA LEU 6 HA LEU 6 3.926 0.679 -15.516
197 HB2 LEU 6 1HB LEU 6 1.668 1.637 -13.732
198 HB3 LEU 6 2HB LEU 6 2.765 2.675 -14.620
199 HG LEU 6 HG LEU 6 0.771 0.784 -15.901
200 HD11 LEU 6 1HD1 LEU 6 -0.311 2.630 -14.677
201 HD12 LEU 6 2HD1 LEU 6 -0.477 2.837 -16.424
202 HD13 LEU 6 3HD1 LEU 6 0.718 3.796 -15.520
203 HD21 LEU 6 3HD2 LEU 6 2.718 1.272 -17.361
204 HD22 LEU 6 1HD2 LEU 6 2.442 3.017 -17.106
205 HD23 LEU 6 2HD2 LEU 6 1.237 2.040 -17.957
206 H CYS 7 H CYS 7 5.861 1.023 -14.597
207 HA CYS 7 HA CYS 7 5.948 1.252 -11.614
208 HB2 CYS 7 1HB CYS 7 6.545 -1.035 -12.655
209 HB3 CYS 7 2HB CYS 7 8.030 -0.257 -13.206
210 H GLY 8 H GLY 8 8.075 1.566 -14.510
211 HA2 GLY 8 1HA GLY 8 9.627 3.664 -13.190
212 HA3 GLY 8 2HA GLY 8 9.858 3.035 -14.829
213 H SER 9 H SER 9 10.015 5.066 -15.838
214 HA SER 9 HA SER 9 8.374 7.285 -15.460
215 HB2 SER 9 1HB SER 9 9.116 6.801 -18.260
216 HB3 SER 9 2HB SER 9 9.619 8.099 -17.147
217 HG SER 9 HG SER 9 11.418 6.859 -17.548
218 H HIS 10 H HIS 10 7.504 4.308 -17.033
219 HA HIS 10 HA HIS 10 5.351 5.136 -18.687
220 HB2 HIS 10 1HB HIS 10 5.873 2.658 -17.013
221 HB3 HIS 10 2HB HIS 10 4.378 2.869 -17.915
222 HD1 HIS 10 HD1 HIS 10 4.337 1.743 -20.105
223 HD2 HIS 10 HD2 HIS 10 8.183 3.060 -19.044
224 HE1 HIS 10 HE1 HIS 10 5.894 1.071 -21.983
225 HE2 HIS 10 HE2 HIS 10 8.215 1.874 -21.349
226 H LEU 11 H LEU 11 5.544 4.755 -15.144
227 HA LEU 11 HA LEU 11 2.710 4.838 -14.682
228 HB2 LEU 11 1HB LEU 11 4.480 4.014 -13.108
229 HB3 LEU 11 2HB LEU 11 5.033 5.666 -12.903
230 HG LEU 11 HG LEU 11 2.904 6.255 -11.802
231 HD11 LEU 11 1HD1 LEU 11 2.278 3.283 -12.008
232 HD12 LEU 11 2HD1 LEU 11 1.429 4.583 -12.876
233 HD13 LEU 11 3HD1 LEU 11 1.344 4.501 -11.110
234 HD21 LEU 11 3HD2 LEU 11 3.353 4.990 -9.736
235 HD22 LEU 11 1HD2 LEU 11 4.874 5.472 -10.518
236 HD23 LEU 11 2HD2 LEU 11 4.298 3.792 -10.655
237 H VAL 12 H VAL 12 5.267 7.305 -14.783
238 HA VAL 12 HA VAL 12 3.580 9.519 -14.069
239 HB VAL 12 HB VAL 12 6.208 9.454 -15.642
240 HG11 VAL 12 1HG1 VAL 12 5.017 11.603 -15.883
241 HG12 VAL 12 2HG1 VAL 12 4.900 11.735 -14.116
242 HG13 VAL 12 3HG1 VAL 12 6.488 11.781 -14.908
243 HG21 VAL 12 3HG2 VAL 12 6.503 8.382 -13.465
244 HG22 VAL 12 1HG2 VAL 12 7.245 9.990 -13.417
245 HG23 VAL 12 2HG2 VAL 12 5.664 9.722 -12.650
246 H GLU 13 H GLU 13 4.629 8.101 -17.183
247 HA GLU 13 HA GLU 13 3.459 10.095 -18.863
248 HB2 GLU 13 1HB GLU 13 4.065 7.154 -19.281
249 HB3 GLU 13 2HB GLU 13 3.476 8.209 -20.572
250 HG2 GLU 13 1HG GLU 13 5.441 9.599 -20.435
251 HG3 GLU 13 2HG GLU 13 6.010 8.750 -18.997
252 HE2 GLU 13 HE2 GLU 13 7.033 7.497 -22.465
253 H ALA 14 H ALA 14 2.106 7.208 -17.296
254 HA ALA 14 HA ALA 14 -0.378 7.327 -18.784
255 HB1 ALA 14 3HB ALA 14 -1.122 5.650 -17.201
256 HB2 ALA 14 1HB ALA 14 0.531 5.272 -17.738
257 HB3 ALA 14 2HB ALA 14 0.261 6.000 -16.134
258 H LEU 15 H LEU 15 0.836 8.687 -15.729
259 HA LEU 15 HA LEU 15 -1.717 9.495 -14.730
260 HB2 LEU 15 1HB LEU 15 1.111 10.421 -14.236
261 HB3 LEU 15 2HB LEU 15 -0.259 11.248 -13.494
262 HG LEU 15 HG LEU 15 0.245 8.281 -13.171
263 HD11 LEU 15 1HD1 LEU 15 1.167 8.783 -10.964
264 HD12 LEU 15 2HD1 LEU 15 1.010 10.527 -11.275
265 HD13 LEU 15 3HD1 LEU 15 2.143 9.546 -12.234
266 HD21 LEU 15 3HD2 LEU 15 -1.418 10.197 -11.502
267 HD22 LEU 15 1HD2 LEU 15 -1.323 8.424 -11.369
268 HD23 LEU 15 2HD2 LEU 15 -2.084 9.161 -12.778
269 H TYR 16 H TYR 16 0.515 11.022 -17.043
270 HA TYR 16 HA TYR 16 -0.755 13.578 -17.117
271 HB2 TYR 16 1HB TYR 16 0.736 11.939 -19.179
272 HB3 TYR 16 2HB TYR 16 -0.058 13.448 -19.628
273 HD1 TYR 16 HD1 TYR 16 0.582 15.608 -18.414
274 HD2 TYR 16 HD2 TYR 16 2.901 11.998 -18.128
275 HE1 TYR 16 HE1 TYR 16 2.546 16.925 -17.623
276 HE2 TYR 16 HE2 TYR 16 4.873 13.331 -17.372
277 HH TYR 16 HH TYR 16 4.732 16.867 -16.948
278 H LEU 17 H LEU 17 -1.601 10.483 -18.677
279 HA LEU 17 HA LEU 17 -3.679 11.645 -20.310
280 HB2 LEU 17 1HB LEU 17 -3.380 8.802 -19.311
281 HB3 LEU 17 2HB LEU 17 -4.421 9.351 -20.610
282 HG LEU 17 HG LEU 17 -1.386 9.466 -20.680
283 HD11 LEU 17 1HD1 LEU 17 -1.529 7.482 -22.124
284 HD12 LEU 17 2HD1 LEU 17 -3.295 7.435 -21.908
285 HD13 LEU 17 3HD1 LEU 17 -2.216 7.146 -20.521
286 HD21 LEU 17 3HD2 LEU 17 -2.425 11.083 -22.200
287 HD22 LEU 17 1HD2 LEU 17 -3.480 9.815 -22.866
288 HD23 LEU 17 2HD2 LEU 17 -1.720 9.744 -23.124
289 H VAL 18 H VAL 18 -3.642 10.004 -17.146
290 HA VAL 18 HA VAL 18 -6.535 9.883 -16.993
291 HB VAL 18 HB VAL 18 -4.374 9.489 -14.866
292 HG11 VAL 18 1HG1 VAL 18 -6.502 10.016 -13.756
293 HG12 VAL 18 2HG1 VAL 18 -7.354 8.820 -14.761
294 HG13 VAL 18 3HG1 VAL 18 -6.141 8.291 -13.568
295 HG21 VAL 18 3HG2 VAL 18 -4.171 7.845 -16.615
296 HG22 VAL 18 1HG2 VAL 18 -4.987 7.060 -15.257
297 HG23 VAL 18 2HG2 VAL 18 -5.930 7.584 -16.662
298 H CYS 19 H CYS 19 -4.024 12.004 -15.591
299 HA CYS 19 HA CYS 19 -6.013 13.552 -14.145
300 HB2 CYS 19 1HB CYS 19 -3.090 14.060 -14.771
301 HB3 CYS 19 2HB CYS 19 -4.078 15.049 -13.683
302 H GLY 20 H GLY 20 -4.592 13.645 -17.378
303 HA2 GLY 20 1HA GLY 20 -4.954 15.127 -19.103
304 HA3 GLY 20 2HA GLY 20 -6.453 15.594 -18.277
305 H GLU 21 H GLU 21 -6.361 17.764 -18.569
306 HA GLU 21 HA GLU 21 -3.981 19.323 -18.234
307 HB2 GLU 21 1HB GLU 21 -6.913 20.115 -18.256
308 HB3 GLU 21 2HB GLU 21 -5.563 21.252 -18.321
309 HG2 GLU 21 1HG GLU 21 -6.182 19.125 -20.405
310 HG3 GLU 21 2HG GLU 21 -6.519 20.855 -20.548
311 HE2 GLU 21 HE2 GLU 21 -3.250 19.663 -21.907
312 H ARG 22 H ARG 22 -5.941 17.958 -15.708
313 HA ARG 22 HA ARG 22 -5.806 20.283 -13.990
314 HB2 ARG 22 1HB ARG 22 -7.017 19.100 -12.518
315 HB3 ARG 22 2HB ARG 22 -7.340 18.112 -13.944
316 HG2 ARG 22 1HG ARG 22 -5.400 16.638 -13.191
317 HG3 ARG 22 2HG ARG 22 -5.412 17.565 -11.677
318 HD2 ARG 22 1HD ARG 22 -6.748 15.765 -11.183
319 HD3 ARG 22 2HD ARG 22 -7.925 17.019 -11.632
320 HE ARG 22 HE ARG 22 -7.488 15.782 -14.006
321 HH11 ARG 22 1HH1 ARG 22 -8.242 14.408 -10.828
322 HH12 ARG 22 2HH1 ARG 22 -9.000 12.996 -11.521
323 HH21 ARG 22 1HH2 ARG 22 -8.516 13.955 -14.791
324 HH22 ARG 22 2HH2 ARG 22 -9.161 12.763 -13.699
325 H GLY 23 H GLY 23 -3.538 17.870 -14.912
326 HA2 GLY 23 1HA GLY 23 -1.284 17.778 -14.386
327 HA3 GLY 23 2HA GLY 23 -1.512 19.097 -13.227
328 H PHE 24 H PHE 24 0.187 17.277 -12.430
329 HA PHE 24 HA PHE 24 -0.989 16.129 -10.054
330 HB2 PHE 24 1HB PHE 24 -0.501 13.800 -10.486
331 HB3 PHE 24 2HB PHE 24 -1.589 14.368 -11.747
332 HD1 PHE 24 HD2 PHE 24 -0.683 14.880 -14.044
333 HD2 PHE 24 HD1 PHE 24 1.679 12.984 -11.001
334 HE1 PHE 24 HE2 PHE 24 0.942 14.146 -15.768
335 HE2 PHE 24 HE1 PHE 24 3.310 12.235 -12.719
336 HZ PHE 24 HZ PHE 24 2.946 12.827 -15.118
337 H PHE 25 H PHE 25 0.948 14.811 -8.995
338 HA PHE 25 HA PHE 25 3.573 15.671 -10.068
339 HB2 PHE 25 1HB PHE 25 4.367 16.302 -7.846
340 HB3 PHE 25 2HB PHE 25 2.992 17.318 -8.293
341 HD1 PHE 25 HD1 PHE 25 0.789 17.026 -7.180
342 HD2 PHE 25 HD2 PHE 25 4.236 14.737 -5.995
343 HE1 PHE 25 HE1 PHE 25 -0.373 16.375 -5.079
344 HE2 PHE 25 HE2 PHE 25 3.081 14.082 -3.886
345 HZ PHE 25 HZ PHE 25 0.770 14.900 -3.426
346 H TYR 26 H TYR 26 5.297 14.252 -9.060
347 HA TYR 26 HA TYR 26 4.222 11.758 -7.865
348 HB2 TYR 26 1HB TYR 26 4.333 11.327 -10.305
349 HB3 TYR 26 2HB TYR 26 6.035 11.825 -10.309
350 HD1 TYR 26 HD2 TYR 26 3.641 9.282 -8.970
351 HD2 TYR 26 HD1 TYR 26 7.777 10.305 -9.588
352 HE1 TYR 26 HE2 TYR 26 4.316 6.975 -8.313
353 HE2 TYR 26 HE1 TYR 26 8.440 7.987 -8.949
354 HH TYR 26 HH TYR 26 7.715 5.894 -8.368
355 H THR 27 H THR 27 5.664 10.847 -6.434
356 HA THR 27 HA THR 27 8.126 12.457 -5.977
357 HB THR 27 HB THR 27 7.879 11.545 -3.588
358 HG1 THR 27 HG1 THR 27 5.168 11.377 -3.925
359 HG21 THR 27 1HG2 THR 27 6.217 13.255 -3.002
360 HG22 THR 27 2HG2 THR 27 5.689 13.350 -4.699
361 HG23 THR 27 3HG2 THR 27 7.328 13.873 -4.244
362 HA PRO 28 HA PRO 28 9.987 8.459 -6.966
363 HB2 PRO 28 1HB PRO 28 12.589 9.282 -7.075
364 HB3 PRO 28 2HB PRO 28 11.436 9.615 -8.407
365 HG2 PRO 28 1HG PRO 28 12.251 11.399 -6.126
366 HG3 PRO 28 2HG PRO 28 12.239 11.753 -7.885
367 HD2 PRO 28 1HD PRO 28 10.209 12.512 -6.284
368 HD3 PRO 28 2HD PRO 28 9.898 11.910 -7.950
369 H LYS 29 H LYS 29 11.414 7.014 -5.711
370 HA LYS 29 HA LYS 29 11.764 7.958 -2.895
371 HB2 LYS 29 1HB LYS 29 10.547 5.295 -3.715
372 HB3 LYS 29 2HB LYS 29 10.733 5.933 -2.069
373 HG2 LYS 29 1HG LYS 29 9.279 7.887 -2.814
374 HG3 LYS 29 2HG LYS 29 8.952 6.973 -4.295
375 HD2 LYS 29 1HD LYS 29 8.095 5.101 -2.821
376 HD3 LYS 29 2HD LYS 29 8.193 6.252 -1.466
377 HE2 LYS 29 1HE LYS 29 6.533 6.488 -4.013
378 HE3 LYS 29 2HE LYS 29 5.936 6.358 -2.346
379 HZ1 LYS 29 3HZ LYS 29 7.011 8.555 -1.944
380 HZ2 LYS 29 1HZ LYS 29 5.810 8.635 -3.072
381 HZ3 LYS 29 2HZ LYS 29 7.383 8.658 -3.551
382 H THR 30 H THR 30 13.999 8.156 -3.299
383 HA THR 30 HA THR 30 15.552 5.806 -4.095
384 HB THR 30 HB THR 30 17.475 7.433 -3.417
385 HG1 THR 30 HG1 THR 30 16.361 8.806 -2.077
386 HG21 THR 30 1HG2 THR 30 17.147 8.845 -5.436
387 HG22 THR 30 2HG2 THR 30 15.430 8.428 -5.507
388 HG23 THR 30 3HG2 THR 30 16.665 7.185 -5.813
389 HXT THR 30 H02 THR 30 14.593 4.697 -2.593
Start of MODEL 30
1 H1 GLY 1 3H0 GLY 1 0.504 -0.472 -0.546
2 H2 GLY 1 2H0 GLY 1 2.020 -0.991 -0.934
3 H3 GLY 1 1H0 GLY 1 1.751 -0.241 0.510
4 HA2 GLY 1 1HA GLY 1 1.224 1.816 -0.577
5 HA3 GLY 1 2HA GLY 1 2.849 1.247 -1.012
6 H ILE 2 H ILE 2 0.818 2.995 -2.468
7 HA ILE 2 HA ILE 2 -0.319 1.412 -4.541
8 HB ILE 2 HB ILE 2 -1.133 3.635 -3.708
9 HG12 ILE 2 1HG1 ILE 2 -0.735 3.444 -6.708
10 HG13 ILE 2 2HG1 ILE 2 -1.899 2.495 -5.785
11 HG21 ILE 2 1HG2 ILE 2 1.068 4.840 -3.709
12 HG22 ILE 2 2HG2 ILE 2 1.050 4.828 -5.487
13 HG23 ILE 2 3HG2 ILE 2 -0.192 5.718 -4.586
14 HD11 ILE 2 3HD1 ILE 2 -3.001 4.627 -5.059
15 HD12 ILE 2 1HD1 ILE 2 -1.891 5.521 -6.135
16 HD13 ILE 2 2HD1 ILE 2 -3.043 4.354 -6.815
17 H VAL 3 H VAL 3 2.883 2.986 -4.374
18 HA VAL 3 HA VAL 3 3.272 2.995 -7.192
19 HB VAL 3 HB VAL 3 5.430 2.767 -5.054
20 HG11 VAL 3 1HG1 VAL 3 6.883 3.805 -6.808
21 HG12 VAL 3 2HG1 VAL 3 6.262 2.223 -7.331
22 HG13 VAL 3 3HG1 VAL 3 5.533 3.714 -7.968
23 HG21 VAL 3 3HG2 VAL 3 4.115 5.211 -6.327
24 HG22 VAL 3 1HG2 VAL 3 4.042 4.734 -4.615
25 HG23 VAL 3 2HG2 VAL 3 5.581 5.263 -5.325
26 H GLU 4 H GLU 4 4.300 0.538 -4.739
27 HA GLU 4 HA GLU 4 5.393 -1.116 -6.829
28 HB2 GLU 4 1HB GLU 4 5.776 -2.780 -5.203
29 HB3 GLU 4 2HB GLU 4 6.165 -1.232 -4.469
30 HG2 GLU 4 1HG GLU 4 3.461 -2.500 -3.963
31 HG3 GLU 4 2HG GLU 4 4.895 -3.085 -3.125
32 HE2 GLU 4 HE2 GLU 4 4.184 -2.490 -1.338
33 H GLN 5 H GLN 5 2.214 -0.715 -5.407
34 HA GLN 5 HA GLN 5 1.016 -3.140 -6.294
35 HB2 GLN 5 1HB GLN 5 0.076 -1.467 -4.689
36 HB3 GLN 5 2HB GLN 5 -0.202 -0.371 -6.035
37 HG2 GLN 5 1HG GLN 5 -1.770 -1.982 -7.027
38 HG3 GLN 5 2HG GLN 5 -1.514 -3.057 -5.637
39 HE21 GLN 5 2HE2 GLN 5 -3.822 -1.275 -6.761
40 HE22 GLN 5 1HE2 GLN 5 -4.410 -0.459 -5.338
41 H CYS 6 H CYS 6 1.394 0.076 -7.894
42 HA CYS 6 HA CYS 6 0.122 -0.964 -10.327
43 HB2 CYS 6 1HB CYS 6 1.558 1.656 -9.788
44 HB3 CYS 6 2HB CYS 6 0.631 1.264 -11.244
45 H CYS 7 H CYS 7 3.322 -0.868 -9.041
46 HA CYS 7 HA CYS 7 4.664 -0.983 -11.595
47 HB2 CYS 7 1HB CYS 7 5.707 -0.331 -9.375
48 HB3 CYS 7 2HB CYS 7 5.605 -2.026 -8.894
49 H THR 8 H THR 8 3.548 -3.408 -9.180
50 HA THR 8 HA THR 8 4.446 -5.583 -10.936
51 HB THR 8 HB THR 8 4.684 -5.622 -8.396
52 HG1 THR 8 HG1 THR 8 4.825 -7.495 -9.747
53 HG21 THR 8 1HG2 THR 8 2.278 -4.881 -7.954
54 HG22 THR 8 2HG2 THR 8 2.843 -6.293 -7.039
55 HG23 THR 8 3HG2 THR 8 1.788 -6.518 -8.446
56 H SER 9 H SER 9 1.401 -3.950 -10.225
57 HA SER 9 HA SER 9 0.091 -5.944 -12.023
58 HB2 SER 9 1HB SER 9 -1.108 -4.558 -9.572
59 HB3 SER 9 2HB SER 9 -2.008 -5.590 -10.701
60 HG SER 9 HG SER 9 -1.168 -6.638 -8.748
61 H ILE 10 H ILE 10 -2.165 -4.931 -12.766
62 HA ILE 10 HA ILE 10 -1.098 -3.093 -14.659
63 HB ILE 10 HB ILE 10 -3.952 -4.043 -14.203
64 HG12 ILE 10 1HG1 ILE 10 -2.284 -5.819 -14.707
65 HG13 ILE 10 2HG1 ILE 10 -3.532 -5.651 -15.939
66 HG21 ILE 10 1HG2 ILE 10 -4.143 -2.006 -15.485
67 HG22 ILE 10 2HG2 ILE 10 -2.784 -2.458 -16.530
68 HG23 ILE 10 3HG2 ILE 10 -4.324 -3.355 -16.618
69 HD11 ILE 10 3HD1 ILE 10 -0.716 -4.531 -16.176
70 HD12 ILE 10 1HD1 ILE 10 -1.288 -6.048 -16.897
71 HD13 ILE 10 2HD1 ILE 10 -1.968 -4.499 -17.422
72 H CYS 11 H CYS 11 -3.433 -2.462 -12.021
73 HA CYS 11 HA CYS 11 -4.406 -0.527 -11.294
74 HB2 CYS 11 1HB CYS 11 -1.712 0.494 -12.148
75 HB3 CYS 11 2HB CYS 11 -2.967 1.617 -11.615
76 H SER 12 H SER 12 -6.174 -0.545 -12.645
77 HA SER 12 HA SER 12 -6.231 0.690 -15.246
78 HB2 SER 12 1HB SER 12 -8.703 0.712 -14.834
79 HB3 SER 12 2HB SER 12 -7.966 -0.874 -14.512
80 HG SER 12 HG SER 12 -9.276 -0.406 -12.789
81 H LEU 13 H LEU 13 -7.611 2.719 -15.622
82 HA LEU 13 HA LEU 13 -6.312 4.917 -14.525
83 HB2 LEU 13 1HB LEU 13 -7.946 6.284 -15.616
84 HB3 LEU 13 2HB LEU 13 -7.542 4.910 -16.632
85 HG LEU 13 HG LEU 13 -9.785 3.960 -15.380
86 HD11 LEU 13 1HD1 LEU 13 -10.195 6.955 -15.791
87 HD12 LEU 13 2HD1 LEU 13 -10.220 6.098 -14.231
88 HD13 LEU 13 3HD1 LEU 13 -11.472 5.766 -15.442
89 HD21 LEU 13 3HD2 LEU 13 -9.291 3.905 -17.786
90 HD22 LEU 13 1HD2 LEU 13 -9.653 5.646 -17.910
91 HD23 LEU 13 2HD2 LEU 13 -10.940 4.493 -17.486
92 H TYR 14 H TYR 14 -9.113 3.262 -13.180
93 HA TYR 14 HA TYR 14 -9.966 5.385 -11.464
94 HB2 TYR 14 1HB TYR 14 -10.194 2.406 -10.968
95 HB3 TYR 14 2HB TYR 14 -11.246 3.683 -10.348
96 HD1 TYR 14 HD1 TYR 14 -12.547 5.095 -12.169
97 HD2 TYR 14 HD2 TYR 14 -10.728 1.275 -12.947
98 HE1 TYR 14 HE1 TYR 14 -13.974 4.825 -14.201
99 HE2 TYR 14 HE2 TYR 14 -12.155 1.017 -14.989
100 HH TYR 14 HH TYR 14 -13.823 1.933 -16.274
101 H GLN 15 H GLN 15 -7.567 2.802 -11.137
102 HA GLN 15 HA GLN 15 -6.987 3.328 -8.321
103 HB2 GLN 15 1HB GLN 15 -5.404 1.914 -10.507
104 HB3 GLN 15 2HB GLN 15 -4.996 1.893 -8.793
105 HG2 GLN 15 1HG GLN 15 -7.607 0.805 -9.937
106 HG3 GLN 15 2HG GLN 15 -6.161 -0.171 -9.638
107 HE21 GLN 15 2HE2 GLN 15 -9.058 0.332 -8.387
108 HE22 GLN 15 1HE2 GLN 15 -8.700 0.186 -6.683
109 H LEU 16 H LEU 16 -5.714 4.253 -11.501
110 HA LEU 16 HA LEU 16 -3.428 5.655 -10.549
111 HB2 LEU 16 1HB LEU 16 -5.025 5.937 -13.097
112 HB3 LEU 16 2HB LEU 16 -3.508 6.773 -12.793
113 HG LEU 16 HG LEU 16 -3.824 3.749 -12.817
114 HD11 LEU 16 1HD1 LEU 16 -2.652 5.605 -14.921
115 HD12 LEU 16 2HD1 LEU 16 -4.187 4.711 -15.049
116 HD13 LEU 16 3HD1 LEU 16 -2.656 3.825 -14.969
117 HD21 LEU 16 3HD2 LEU 16 -1.350 5.524 -12.690
118 HD22 LEU 16 1HD2 LEU 16 -1.328 3.765 -12.953
119 HD23 LEU 16 2HD2 LEU 16 -1.935 4.418 -11.424
120 H GLU 17 H GLU 17 -6.803 6.683 -10.852
121 HA GLU 17 HA GLU 17 -6.488 9.483 -10.677
122 HB2 GLU 17 1HB GLU 17 -8.560 7.592 -9.542
123 HB3 GLU 17 2HB GLU 17 -8.682 9.332 -9.319
124 HG2 GLU 17 1HG GLU 17 -8.330 8.306 -12.101
125 HG3 GLU 17 2HG GLU 17 -9.895 8.089 -11.312
126 HE2 GLU 17 HE2 GLU 17 -11.133 9.533 -11.520
127 H ASN 18 H ASN 18 -5.909 7.073 -8.166
128 HA ASN 18 HA ASN 18 -6.133 8.819 -5.910
129 HB2 ASN 18 1HB ASN 18 -4.586 6.265 -6.387
130 HB3 ASN 18 2HB ASN 18 -4.587 7.110 -4.830
131 HD21 ASN 18 2HD2 ASN 18 -6.205 4.921 -6.853
132 HD22 ASN 18 1HD2 ASN 18 -7.646 4.738 -5.874
133 H TYR 19 H TYR 19 -3.589 8.468 -8.312
134 HA TYR 19 HA TYR 19 -1.488 9.728 -6.690
135 HB2 TYR 19 1HB TYR 19 -1.844 9.160 -9.632
136 HB3 TYR 19 2HB TYR 19 -0.420 9.945 -8.986
137 HD1 TYR 19 HD2 TYR 19 -2.204 6.735 -9.268
138 HD2 TYR 19 HD1 TYR 19 1.263 8.749 -7.731
139 HE1 TYR 19 HE2 TYR 19 -1.060 4.545 -8.973
140 HE2 TYR 19 HE1 TYR 19 2.392 6.561 -7.436
141 HH TYR 19 HH TYR 19 2.282 4.302 -7.807
142 H CYS 20 H CYS 20 -4.269 10.901 -8.333
143 HA CYS 20 HA CYS 20 -3.082 13.100 -9.731
144 HB2 CYS 20 1HB CYS 20 -5.453 11.846 -9.871
145 HB3 CYS 20 2HB CYS 20 -5.940 13.241 -8.902
146 H ASN 21 H ASN 21 -3.152 15.327 -9.343
147 HA ASN 21 HA ASN 21 -2.542 16.031 -6.624
148 HB2 ASN 21 1HB ASN 21 -1.658 17.198 -8.751
149 HB3 ASN 21 2HB ASN 21 -3.221 18.016 -8.838
150 HD21 ASN 21 2HD2 ASN 21 -3.086 20.008 -8.034
151 HD22 ASN 21 1HD2 ASN 21 -2.161 20.459 -6.624
152 HXT ASN 21 H02 ASN 21 -6.257 16.979 -6.972
153 H1 PHE 1 3H0 PHE 1 -8.300 3.803 -22.914
154 H2 PHE 1 2H0 PHE 1 -7.518 3.046 -24.156
155 H3 PHE 1 1H0 PHE 1 -8.549 2.194 -23.192
156 HA PHE 1 HA PHE 1 -5.992 3.397 -22.351
157 HB2 PHE 1 1HB PHE 1 -7.967 3.302 -20.684
158 HB3 PHE 1 2HB PHE 1 -7.792 1.546 -20.750
159 HD1 PHE 1 HD1 PHE 1 -6.147 4.732 -19.755
160 HD2 PHE 1 HD2 PHE 1 -5.965 0.427 -19.594
161 HE1 PHE 1 HE1 PHE 1 -4.366 4.878 -18.023
162 HE2 PHE 1 HE2 PHE 1 -4.175 0.570 -17.864
163 HZ PHE 1 HZ PHE 1 -3.366 2.797 -17.085
164 H VAL 2 H VAL 2 -4.277 1.819 -21.999
165 HA VAL 2 HA VAL 2 -4.840 -0.854 -23.235
166 HB VAL 2 HB VAL 2 -2.277 0.811 -23.479
167 HG11 VAL 2 1HG1 VAL 2 -1.516 -1.012 -24.996
168 HG12 VAL 2 2HG1 VAL 2 -1.792 -1.605 -23.348
169 HG13 VAL 2 3HG1 VAL 2 -2.991 -1.933 -24.624
170 HG21 VAL 2 3HG2 VAL 2 -3.999 1.714 -24.960
171 HG22 VAL 2 1HG2 VAL 2 -2.809 0.827 -25.929
172 HG23 VAL 2 2HG2 VAL 2 -4.386 0.084 -25.564
173 H ASN 3 H ASN 3 -4.486 -2.445 -21.774
174 HA ASN 3 HA ASN 3 -3.577 -1.778 -19.134
175 HB2 ASN 3 1HB ASN 3 -3.966 -4.461 -20.504
176 HB3 ASN 3 2HB ASN 3 -3.507 -4.271 -18.807
177 HD21 ASN 3 2HD2 ASN 3 -5.924 -5.475 -19.993
178 HD22 ASN 3 1HD2 ASN 3 -7.267 -4.589 -19.311
179 H GLN 4 H GLN 4 -1.636 -1.633 -18.340
180 HA GLN 4 HA GLN 4 0.487 -3.469 -19.108
181 HB2 GLN 4 1HB GLN 4 2.076 -1.641 -19.716
182 HB3 GLN 4 2HB GLN 4 0.762 -1.792 -20.886
183 HG2 GLN 4 1HG GLN 4 -0.409 0.106 -19.623
184 HG3 GLN 4 2HG GLN 4 1.119 0.344 -18.782
185 HE21 GLN 4 2HE2 GLN 4 -0.663 0.732 -21.700
186 HE22 GLN 4 1HE2 GLN 4 0.552 1.655 -22.563
187 H HIS 5 H HIS 5 1.964 -3.513 -17.390
188 HA HIS 5 HA HIS 5 1.175 -2.319 -14.847
189 HB2 HIS 5 1HB HIS 5 3.837 -3.501 -15.711
190 HB3 HIS 5 2HB HIS 5 3.320 -3.158 -14.056
191 HD1 HIS 5 HD1 HIS 5 0.583 -4.353 -13.878
192 HD2 HIS 5 HD2 HIS 5 3.660 -6.222 -15.899
193 HE1 HIS 5 HE1 HIS 5 0.002 -6.848 -13.992
194 HE2 HIS 5 HE2 HIS 5 1.906 -7.957 -15.212
195 H LEU 6 H LEU 6 2.010 -0.536 -13.789
196 HA LEU 6 HA LEU 6 3.477 1.366 -15.591
197 HB2 LEU 6 1HB LEU 6 1.256 1.729 -13.576
198 HB3 LEU 6 2HB LEU 6 2.330 3.039 -13.970
199 HG LEU 6 HG LEU 6 0.738 3.650 -15.359
200 HD11 LEU 6 1HD1 LEU 6 0.845 2.786 -17.661
201 HD12 LEU 6 2HD1 LEU 6 1.789 1.393 -17.100
202 HD13 LEU 6 3HD1 LEU 6 2.460 3.033 -16.982
203 HD21 LEU 6 3HD2 LEU 6 -1.023 2.191 -16.257
204 HD22 LEU 6 1HD2 LEU 6 -0.865 2.059 -14.497
205 HD23 LEU 6 2HD2 LEU 6 -0.207 0.787 -15.539
206 H CYS 7 H CYS 7 5.517 1.331 -14.989
207 HA CYS 7 HA CYS 7 6.097 2.028 -12.159
208 HB2 CYS 7 1HB CYS 7 6.355 -0.519 -12.890
209 HB3 CYS 7 2HB CYS 7 7.860 0.065 -13.609
210 H GLY 8 H GLY 8 8.121 3.197 -11.948
211 HA2 GLY 8 1HA GLY 8 9.711 4.711 -12.684
212 HA3 GLY 8 2HA GLY 8 9.858 3.705 -14.136
213 H SER 9 H SER 9 10.012 5.338 -15.641
214 HA SER 9 HA SER 9 8.422 7.659 -15.736
215 HB2 SER 9 1HB SER 9 9.286 6.355 -18.283
216 HB3 SER 9 2HB SER 9 9.496 8.033 -17.730
217 HG SER 9 HG SER 9 11.487 7.058 -17.596
218 H HIS 10 H HIS 10 7.614 4.362 -16.770
219 HA HIS 10 HA HIS 10 5.513 5.072 -18.585
220 HB2 HIS 10 1HB HIS 10 6.389 2.649 -17.142
221 HB3 HIS 10 2HB HIS 10 4.657 2.711 -17.457
222 HD1 HIS 10 HD1 HIS 10 3.850 2.187 -19.827
223 HD2 HIS 10 HD2 HIS 10 8.004 2.748 -19.569
224 HE1 HIS 10 HE1 HIS 10 4.818 1.548 -22.070
225 HE2 HIS 10 HE2 HIS 10 7.324 1.900 -21.917
226 H LEU 11 H LEU 11 5.602 4.786 -15.040
227 HA LEU 11 HA LEU 11 2.749 4.934 -14.675
228 HB2 LEU 11 1HB LEU 11 4.304 4.180 -12.918
229 HB3 LEU 11 2HB LEU 11 5.063 5.763 -12.893
230 HG LEU 11 HG LEU 11 3.054 6.776 -11.960
231 HD11 LEU 11 1HD1 LEU 11 1.901 3.961 -11.883
232 HD12 LEU 11 2HD1 LEU 11 1.309 5.307 -12.892
233 HD13 LEU 11 3HD1 LEU 11 1.195 5.407 -11.128
234 HD21 LEU 11 3HD2 LEU 11 3.936 4.277 -10.465
235 HD22 LEU 11 1HD2 LEU 11 3.243 5.753 -9.756
236 HD23 LEU 11 2HD2 LEU 11 4.835 5.813 -10.531
237 H VAL 12 H VAL 12 5.354 7.360 -14.786
238 HA VAL 12 HA VAL 12 3.710 9.611 -14.216
239 HB VAL 12 HB VAL 12 6.275 9.451 -15.878
240 HG11 VAL 12 1HG1 VAL 12 6.606 11.787 -15.275
241 HG12 VAL 12 2HG1 VAL 12 5.065 11.588 -16.131
242 HG13 VAL 12 3HG1 VAL 12 5.077 11.795 -14.367
243 HG21 VAL 12 3HG2 VAL 12 5.842 9.817 -12.880
244 HG22 VAL 12 1HG2 VAL 12 6.649 8.451 -13.688
245 HG23 VAL 12 2HG2 VAL 12 7.397 10.058 -13.712
246 H GLU 13 H GLU 13 4.645 8.058 -17.306
247 HA GLU 13 HA GLU 13 3.413 9.983 -19.024
248 HB2 GLU 13 1HB GLU 13 4.005 7.024 -19.343
249 HB3 GLU 13 2HB GLU 13 3.364 8.022 -20.650
250 HG2 GLU 13 1HG GLU 13 5.338 9.412 -20.650
251 HG3 GLU 13 2HG GLU 13 5.968 8.609 -19.210
252 HE2 GLU 13 HE2 GLU 13 6.833 7.229 -22.670
253 H ALA 14 H ALA 14 2.149 7.118 -17.337
254 HA ALA 14 HA ALA 14 -0.367 7.132 -18.770
255 HB1 ALA 14 3HB ALA 14 0.392 5.919 -16.087
256 HB2 ALA 14 1HB ALA 14 -1.064 5.533 -17.038
257 HB3 ALA 14 2HB ALA 14 0.549 5.130 -17.673
258 H LEU 15 H LEU 15 0.829 8.532 -15.725
259 HA LEU 15 HA LEU 15 -1.745 9.336 -14.777
260 HB2 LEU 15 1HB LEU 15 1.070 10.244 -14.174
261 HB3 LEU 15 2HB LEU 15 -0.338 10.937 -13.371
262 HG LEU 15 HG LEU 15 0.352 7.986 -13.306
263 HD11 LEU 15 1HD1 LEU 15 2.068 9.340 -12.161
264 HD12 LEU 15 2HD1 LEU 15 1.116 8.363 -11.025
265 HD13 LEU 15 3HD1 LEU 15 0.794 10.105 -11.182
266 HD21 LEU 15 3HD2 LEU 15 -1.654 9.671 -11.807
267 HD22 LEU 15 1HD2 LEU 15 -1.273 7.969 -11.453
268 HD23 LEU 15 2HD2 LEU 15 -2.002 8.402 -12.999
269 H TYR 16 H TYR 16 0.514 10.895 -17.018
270 HA TYR 16 HA TYR 16 -0.725 13.481 -16.977
271 HB2 TYR 16 1HB TYR 16 0.795 11.921 -19.080
272 HB3 TYR 16 2HB TYR 16 0.009 13.449 -19.482
273 HD1 TYR 16 HD1 TYR 16 0.538 15.485 -17.845
274 HD2 TYR 16 HD2 TYR 16 3.039 12.017 -18.327
275 HE1 TYR 16 HE1 TYR 16 2.494 16.767 -16.978
276 HE2 TYR 16 HE2 TYR 16 4.994 13.322 -17.485
277 HH TYR 16 HH TYR 16 4.722 16.717 -16.454
278 H LEU 17 H LEU 17 -1.570 10.443 -18.643
279 HA LEU 17 HA LEU 17 -3.651 11.667 -20.226
280 HB2 LEU 17 1HB LEU 17 -3.351 8.790 -19.333
281 HB3 LEU 17 2HB LEU 17 -4.411 9.387 -20.595
282 HG LEU 17 HG LEU 17 -1.379 9.512 -20.709
283 HD11 LEU 17 1HD1 LEU 17 -2.193 7.184 -20.617
284 HD12 LEU 17 2HD1 LEU 17 -1.537 7.579 -22.220
285 HD13 LEU 17 3HD1 LEU 17 -3.300 7.516 -21.975
286 HD21 LEU 17 3HD2 LEU 17 -2.448 11.176 -22.155
287 HD22 LEU 17 1HD2 LEU 17 -3.508 9.926 -22.849
288 HD23 LEU 17 2HD2 LEU 17 -1.753 9.874 -23.136
289 H VAL 18 H VAL 18 -3.609 9.917 -17.114
290 HA VAL 18 HA VAL 18 -6.490 9.794 -16.944
291 HB VAL 18 HB VAL 18 -4.355 9.456 -14.778
292 HG11 VAL 18 1HG1 VAL 18 -6.145 8.208 -13.543
293 HG12 VAL 18 2HG1 VAL 18 -6.509 9.935 -13.717
294 HG13 VAL 18 3HG1 VAL 18 -7.326 8.746 -14.760
295 HG21 VAL 18 3HG2 VAL 18 -4.806 7.027 -15.148
296 HG22 VAL 18 1HG2 VAL 18 -5.854 7.448 -16.517
297 HG23 VAL 18 2HG2 VAL 18 -4.116 7.814 -16.570
298 H CYS 19 H CYS 19 -4.018 11.949 -15.483
299 HA CYS 19 HA CYS 19 -6.105 13.464 -14.123
300 HB2 CYS 19 1HB CYS 19 -3.135 13.860 -14.466
301 HB3 CYS 19 2HB CYS 19 -4.177 15.015 -13.613
302 H GLY 20 H GLY 20 -4.521 13.596 -17.269
303 HA2 GLY 20 1HA GLY 20 -4.782 15.128 -18.974
304 HA3 GLY 20 2HA GLY 20 -6.305 15.617 -18.196
305 H GLU 21 H GLU 21 -6.189 17.790 -18.255
306 HA GLU 21 HA GLU 21 -3.779 19.284 -17.811
307 HB2 GLU 21 1HB GLU 21 -6.702 20.097 -17.766
308 HB3 GLU 21 2HB GLU 21 -5.344 21.229 -17.740
309 HG2 GLU 21 1HG GLU 21 -4.586 20.374 -19.935
310 HG3 GLU 21 2HG GLU 21 -5.966 19.265 -19.979
311 HE2 GLU 21 HE2 GLU 21 -5.460 21.007 -21.797
312 H ARG 22 H ARG 22 -5.743 17.711 -15.481
313 HA ARG 22 HA ARG 22 -5.699 19.756 -13.431
314 HB2 ARG 22 1HB ARG 22 -5.957 16.743 -13.243
315 HB3 ARG 22 2HB ARG 22 -6.156 17.848 -11.884
316 HG2 ARG 22 1HG ARG 22 -8.062 18.915 -12.952
317 HG3 ARG 22 2HG ARG 22 -7.867 17.894 -14.394
318 HD2 ARG 22 1HD ARG 22 -8.315 16.797 -11.604
319 HD3 ARG 22 2HD ARG 22 -9.630 17.122 -12.753
320 HE ARG 22 HE ARG 22 -7.888 15.562 -14.204
321 HH11 ARG 22 1HH1 ARG 22 -9.435 15.077 -11.056
322 HH12 ARG 22 2HH1 ARG 22 -9.486 13.343 -11.255
323 HH21 ARG 22 1HH2 ARG 22 -8.057 13.329 -14.381
324 HH22 ARG 22 2HH2 ARG 22 -8.704 12.393 -13.055
325 H GLY 23 H GLY 23 -3.361 17.390 -14.518
326 HA2 GLY 23 1HA GLY 23 -1.125 17.228 -13.914
327 HA3 GLY 23 2HA GLY 23 -1.360 18.528 -12.738
328 H PHE 24 H PHE 24 0.259 16.558 -12.006
329 HA PHE 24 HA PHE 24 -1.069 15.314 -9.729
330 HB2 PHE 24 1HB PHE 24 -0.455 13.030 -10.305
331 HB3 PHE 24 2HB PHE 24 -1.546 13.666 -11.531
332 HD1 PHE 24 HD1 PHE 24 -0.699 14.305 -13.768
333 HD2 PHE 24 HD2 PHE 24 1.810 12.429 -10.832
334 HE1 PHE 24 HE1 PHE 24 0.957 13.771 -15.528
335 HE2 PHE 24 HE2 PHE 24 3.467 11.873 -12.591
336 HZ PHE 24 HZ PHE 24 3.045 12.563 -14.961
337 H PHE 25 H PHE 25 0.804 13.918 -8.649
338 HA PHE 25 HA PHE 25 3.462 15.052 -9.339
339 HB2 PHE 25 1HB PHE 25 3.945 15.437 -6.953
340 HB3 PHE 25 2HB PHE 25 2.617 16.459 -7.508
341 HD1 PHE 25 HD2 PHE 25 0.299 16.051 -6.759
342 HD2 PHE 25 HD1 PHE 25 3.577 13.665 -5.318
343 HE1 PHE 25 HE2 PHE 25 -1.153 15.171 -4.946
344 HE2 PHE 25 HE1 PHE 25 2.135 12.785 -3.485
345 HZ PHE 25 HZ PHE 25 -0.242 13.528 -3.307
346 H TYR 26 H TYR 26 5.180 13.694 -8.294
347 HA TYR 26 HA TYR 26 4.271 10.994 -7.480
348 HB2 TYR 26 1HB TYR 26 4.551 10.771 -9.902
349 HB3 TYR 26 2HB TYR 26 6.136 11.559 -9.819
350 HD1 TYR 26 HD1 TYR 26 4.270 8.587 -8.448
351 HD2 TYR 26 HD2 TYR 26 8.092 10.239 -9.552
352 HE1 TYR 26 HE1 TYR 26 5.362 6.392 -8.002
353 HE2 TYR 26 HE2 TYR 26 9.161 8.031 -9.132
354 HH TYR 26 HH TYR 26 8.853 5.856 -8.533
355 H THR 27 H THR 27 5.701 10.082 -6.036
356 HA THR 27 HA THR 27 8.142 11.691 -5.467
357 HB THR 27 HB THR 27 7.942 10.859 -3.104
358 HG1 THR 27 HG1 THR 27 5.238 10.350 -3.466
359 HG21 THR 27 1HG2 THR 27 6.153 12.396 -2.448
360 HG22 THR 27 2HG2 THR 27 5.506 12.396 -4.107
361 HG23 THR 27 3HG2 THR 27 7.101 13.110 -3.772
362 HA PRO 28 HA PRO 28 9.769 7.784 -6.789
363 HB2 PRO 28 1HB PRO 28 12.433 8.289 -6.668
364 HB3 PRO 28 2HB PRO 28 11.389 9.055 -7.905
365 HG2 PRO 28 1HG PRO 28 12.291 10.161 -5.254
366 HG3 PRO 28 2HG PRO 28 12.426 10.897 -6.885
367 HD2 PRO 28 1HD PRO 28 10.398 11.529 -5.218
368 HD3 PRO 28 2HD PRO 28 10.129 11.369 -6.989
369 H LYS 29 H LYS 29 11.210 6.045 -5.943
370 HA LYS 29 HA LYS 29 11.622 6.181 -2.990
371 HB2 LYS 29 1HB LYS 29 10.319 3.907 -4.549
372 HB3 LYS 29 2HB LYS 29 10.770 3.839 -2.843
373 HG2 LYS 29 1HG LYS 29 8.756 5.806 -4.000
374 HG3 LYS 29 2HG LYS 29 8.318 4.257 -3.272
375 HD2 LYS 29 1HD LYS 29 9.092 4.917 -1.109
376 HD3 LYS 29 2HD LYS 29 9.933 6.338 -1.750
377 HE2 LYS 29 1HE LYS 29 6.922 5.992 -1.895
378 HE3 LYS 29 2HE LYS 29 7.767 6.846 -0.581
379 HZ1 LYS 29 3HZ LYS 29 8.767 8.280 -2.319
380 HZ2 LYS 29 1HZ LYS 29 7.122 8.434 -2.238
381 HZ3 LYS 29 2HZ LYS 29 7.816 7.570 -3.458
382 H THR 30 H THR 30 13.794 6.289 -3.042
383 HA THR 30 HA THR 30 15.359 4.643 -4.897
384 HB THR 30 HB THR 30 17.212 5.863 -3.377
385 HG1 THR 30 HG1 THR 30 16.301 7.793 -2.537
386 HG21 THR 30 1HG2 THR 30 16.756 6.388 -5.812
387 HG22 THR 30 2HG2 THR 30 17.040 7.860 -4.874
388 HG23 THR 30 3HG2 THR 30 15.387 7.413 -5.329
389 HXT THR 30 H02 THR 30 15.434 3.027 -1.410
Start of MODEL 31
1 H1 GLY 1 3H0 GLY 1 0.912 -2.102 -1.058
2 H2 GLY 1 2H0 GLY 1 2.460 -2.031 -1.620
3 H3 GLY 1 1H0 GLY 1 2.149 -1.754 -0.025
4 HA2 GLY 1 1HA GLY 1 0.930 0.252 -0.529
5 HA3 GLY 1 2HA GLY 1 2.591 0.329 -1.147
6 H ILE 2 H ILE 2 0.635 2.018 -2.262
7 HA ILE 2 HA ILE 2 -0.746 0.809 -4.438
8 HB ILE 2 HB ILE 2 -1.336 2.987 -3.374
9 HG12 ILE 2 1HG1 ILE 2 -0.973 3.014 -6.387
10 HG13 ILE 2 2HG1 ILE 2 -2.273 2.217 -5.509
11 HG21 ILE 2 1HG2 ILE 2 -0.210 5.060 -3.942
12 HG22 ILE 2 2HG2 ILE 2 1.014 3.954 -3.302
13 HG23 ILE 2 3HG2 ILE 2 0.896 4.235 -5.056
14 HD11 ILE 2 3HD1 ILE 2 -2.976 4.475 -4.638
15 HD12 ILE 2 1HD1 ILE 2 -1.765 5.208 -5.727
16 HD13 ILE 2 2HD1 ILE 2 -3.114 4.270 -6.397
17 H VAL 3 H VAL 3 2.482 2.397 -4.396
18 HA VAL 3 HA VAL 3 2.802 2.188 -7.231
19 HB VAL 3 HB VAL 3 4.112 3.751 -5.820
20 HG11 VAL 3 1HG1 VAL 3 5.658 1.299 -4.876
21 HG12 VAL 3 2HG1 VAL 3 6.029 2.996 -4.506
22 HG13 VAL 3 3HG1 VAL 3 4.537 2.268 -3.882
23 HG21 VAL 3 3HG2 VAL 3 6.245 3.501 -6.989
24 HG22 VAL 3 1HG2 VAL 3 5.863 1.808 -7.381
25 HG23 VAL 3 2HG2 VAL 3 4.894 3.122 -8.083
26 H GLU 4 H GLU 4 3.380 -0.046 -4.588
27 HA GLU 4 HA GLU 4 4.912 -1.955 -6.046
28 HB2 GLU 4 1HB GLU 4 4.583 -1.847 -3.555
29 HB3 GLU 4 2HB GLU 4 2.925 -2.381 -3.796
30 HG2 GLU 4 1HG GLU 4 3.781 -4.502 -4.773
31 HG3 GLU 4 2HG GLU 4 5.421 -3.973 -4.358
32 HE2 GLU 4 HE2 GLU 4 5.037 -5.994 -3.314
33 H GLN 5 H GLN 5 1.378 -1.576 -5.496
34 HA GLN 5 HA GLN 5 0.646 -3.893 -7.019
35 HB2 GLN 5 1HB GLN 5 -0.825 -1.369 -6.213
36 HB3 GLN 5 2HB GLN 5 -1.585 -2.606 -7.214
37 HG2 GLN 5 1HG GLN 5 -0.417 -3.147 -4.462
38 HG3 GLN 5 2HG GLN 5 -2.116 -2.774 -4.771
39 HE21 GLN 5 2HE2 GLN 5 -1.591 -5.094 -3.513
40 HE22 GLN 5 1HE2 GLN 5 -1.843 -6.449 -4.585
41 H CYS 6 H CYS 6 1.124 -0.454 -7.926
42 HA CYS 6 HA CYS 6 0.089 -0.867 -10.582
43 HB2 CYS 6 1HB CYS 6 1.719 1.283 -9.247
44 HB3 CYS 6 2HB CYS 6 1.482 1.294 -11.005
45 H CYS 7 H CYS 7 3.348 -1.161 -9.192
46 HA CYS 7 HA CYS 7 4.604 -1.446 -11.781
47 HB2 CYS 7 1HB CYS 7 5.506 -2.158 -8.972
48 HB3 CYS 7 2HB CYS 7 6.525 -2.330 -10.407
49 H THR 8 H THR 8 3.576 -3.817 -9.243
50 HA THR 8 HA THR 8 4.530 -5.990 -10.975
51 HB THR 8 HB THR 8 4.772 -5.910 -8.405
52 HG1 THR 8 HG1 THR 8 3.754 -8.151 -9.830
53 HG21 THR 8 1HG2 THR 8 2.258 -5.473 -8.028
54 HG22 THR 8 2HG2 THR 8 3.000 -6.762 -7.058
55 HG23 THR 8 3HG2 THR 8 2.010 -7.177 -8.470
56 H SER 9 H SER 9 1.492 -4.406 -10.440
57 HA SER 9 HA SER 9 0.195 -6.523 -12.069
58 HB2 SER 9 1HB SER 9 -0.264 -6.855 -9.552
59 HB3 SER 9 2HB SER 9 -1.133 -5.306 -9.592
60 HG SER 9 HG SER 9 -2.455 -7.215 -9.922
61 H ILE 10 H ILE 10 -2.344 -5.433 -12.182
62 HA ILE 10 HA ILE 10 -1.626 -3.468 -14.192
63 HB ILE 10 HB ILE 10 -4.324 -4.574 -13.328
64 HG12 ILE 10 1HG1 ILE 10 -2.790 -6.263 -14.258
65 HG13 ILE 10 2HG1 ILE 10 -4.184 -5.981 -15.298
66 HG21 ILE 10 1HG2 ILE 10 -5.154 -3.678 -15.524
67 HG22 ILE 10 2HG2 ILE 10 -4.734 -2.423 -14.355
68 HG23 ILE 10 3HG2 ILE 10 -3.624 -2.783 -15.694
69 HD11 ILE 10 3HD1 ILE 10 -2.114 -6.263 -16.597
70 HD12 ILE 10 1HD1 ILE 10 -2.794 -4.647 -16.835
71 HD13 ILE 10 2HD1 ILE 10 -1.393 -4.866 -15.779
72 H CYS 11 H CYS 11 -1.330 -1.427 -13.900
73 HA CYS 11 HA CYS 11 -2.635 -0.017 -11.657
74 HB2 CYS 11 1HB CYS 11 -0.185 0.278 -12.518
75 HB3 CYS 11 2HB CYS 11 -0.919 1.216 -13.811
76 H SER 12 H SER 12 -4.784 -0.354 -12.418
77 HA SER 12 HA SER 12 -5.640 0.467 -15.057
78 HB2 SER 12 1HB SER 12 -7.910 0.205 -14.097
79 HB3 SER 12 2HB SER 12 -6.873 -1.184 -13.703
80 HG SER 12 HG SER 12 -7.715 -0.671 -11.788
81 H LEU 13 H LEU 13 -7.371 2.243 -15.283
82 HA LEU 13 HA LEU 13 -6.246 4.736 -14.598
83 HB2 LEU 13 1HB LEU 13 -8.209 5.733 -15.482
84 HB3 LEU 13 2HB LEU 13 -7.841 4.311 -16.444
85 HG LEU 13 HG LEU 13 -9.652 3.255 -14.688
86 HD11 LEU 13 1HD1 LEU 13 -10.122 5.425 -13.624
87 HD12 LEU 13 2HD1 LEU 13 -11.534 4.867 -14.538
88 HD13 LEU 13 3HD1 LEU 13 -10.493 6.142 -15.210
89 HD21 LEU 13 3HD2 LEU 13 -11.273 3.463 -16.527
90 HD22 LEU 13 1HD2 LEU 13 -9.664 3.003 -17.118
91 HD23 LEU 13 2HD2 LEU 13 -10.236 4.682 -17.307
92 H TYR 14 H TYR 14 -8.456 2.694 -12.774
93 HA TYR 14 HA TYR 14 -9.339 4.716 -10.942
94 HB2 TYR 14 1HB TYR 14 -9.057 1.753 -10.396
95 HB3 TYR 14 2HB TYR 14 -10.204 2.883 -9.669
96 HD1 TYR 14 HD2 TYR 14 -11.908 4.024 -11.368
97 HD2 TYR 14 HD1 TYR 14 -9.687 0.439 -12.222
98 HE1 TYR 14 HE2 TYR 14 -13.528 3.445 -13.179
99 HE2 TYR 14 HE1 TYR 14 -11.309 -0.126 -14.041
100 HH TYR 14 HH TYR 14 -13.240 0.476 -15.126
101 H GLN 15 H GLN 15 -6.599 2.436 -10.985
102 HA GLN 15 HA GLN 15 -5.685 3.084 -8.310
103 HB2 GLN 15 1HB GLN 15 -4.239 1.933 -10.731
104 HB3 GLN 15 2HB GLN 15 -3.545 2.045 -9.114
105 HG2 GLN 15 1HG GLN 15 -6.056 0.467 -9.802
106 HG3 GLN 15 2HG GLN 15 -4.426 -0.220 -9.679
107 HE21 GLN 15 2HE2 GLN 15 -7.197 -0.086 -8.052
108 HE22 GLN 15 1HE2 GLN 15 -6.605 -0.069 -6.412
109 H LEU 16 H LEU 16 -4.994 4.209 -11.613
110 HA LEU 16 HA LEU 16 -2.896 6.010 -10.939
111 HB2 LEU 16 1HB LEU 16 -4.859 5.895 -13.226
112 HB3 LEU 16 2HB LEU 16 -3.578 7.105 -13.140
113 HG LEU 16 HG LEU 16 -2.976 4.141 -12.971
114 HD11 LEU 16 1HD1 LEU 16 -4.179 4.577 -15.087
115 HD12 LEU 16 2HD1 LEU 16 -2.492 4.103 -15.329
116 HD13 LEU 16 3HD1 LEU 16 -2.964 5.810 -15.500
117 HD21 LEU 16 3HD2 LEU 16 -0.757 4.868 -13.763
118 HD22 LEU 16 1HD2 LEU 16 -1.193 5.674 -12.248
119 HD23 LEU 16 2HD2 LEU 16 -1.312 6.554 -13.789
120 H GLU 17 H GLU 17 -6.438 6.451 -10.943
121 HA GLU 17 HA GLU 17 -6.498 9.268 -10.667
122 HB2 GLU 17 1HB GLU 17 -8.305 7.050 -9.713
123 HB3 GLU 17 2HB GLU 17 -8.644 8.728 -9.294
124 HG2 GLU 17 1HG GLU 17 -8.175 8.043 -12.170
125 HG3 GLU 17 2HG GLU 17 -9.715 7.605 -11.422
126 HE2 GLU 17 HE2 GLU 17 -10.932 10.673 -11.742
127 H ASN 18 H ASN 18 -5.682 6.815 -8.251
128 HA ASN 18 HA ASN 18 -6.069 8.561 -5.974
129 HB2 ASN 18 1HB ASN 18 -4.552 5.984 -6.382
130 HB3 ASN 18 2HB ASN 18 -4.552 6.841 -4.838
131 HD21 ASN 18 2HD2 ASN 18 -6.291 4.757 -6.934
132 HD22 ASN 18 1HD2 ASN 18 -7.704 4.590 -5.923
133 H TYR 19 H TYR 19 -3.429 8.137 -8.258
134 HA TYR 19 HA TYR 19 -1.425 9.481 -6.559
135 HB2 TYR 19 1HB TYR 19 -1.534 8.843 -9.505
136 HB3 TYR 19 2HB TYR 19 -0.147 9.550 -8.700
137 HD1 TYR 19 HD1 TYR 19 -2.129 6.481 -9.157
138 HD2 TYR 19 HD2 TYR 19 1.336 8.224 -7.325
139 HE1 TYR 19 HE1 TYR 19 -1.211 4.217 -8.747
140 HE2 TYR 19 HE2 TYR 19 2.244 5.957 -6.913
141 HH TYR 19 HH TYR 19 0.494 3.008 -7.953
142 H CYS 20 H CYS 20 -4.074 10.310 -8.550
143 HA CYS 20 HA CYS 20 -2.851 12.574 -9.897
144 HB2 CYS 20 1HB CYS 20 -5.091 10.818 -10.222
145 HB3 CYS 20 2HB CYS 20 -5.681 12.481 -10.257
146 H ASN 21 H ASN 21 -3.735 14.692 -9.996
147 HA ASN 21 HA ASN 21 -4.453 15.848 -7.425
148 HB2 ASN 21 1HB ASN 21 -3.072 17.062 -9.153
149 HB3 ASN 21 2HB ASN 21 -4.472 17.079 -10.227
150 HD21 ASN 21 2HD2 ASN 21 -4.440 19.334 -10.298
151 HD22 ASN 21 1HD2 ASN 21 -5.054 20.257 -8.942
152 HXT ASN 21 H02 ASN 21 -6.064 14.520 -7.194
153 H1 PHE 1 3H0 PHE 1 -9.779 3.777 -22.036
154 H2 PHE 1 2H0 PHE 1 -9.208 2.793 -23.232
155 H3 PHE 1 1H0 PHE 1 -10.069 2.154 -21.980
156 HA PHE 1 HA PHE 1 -7.409 3.410 -21.783
157 HB2 PHE 1 1HB PHE 1 -8.962 3.751 -19.819
158 HB3 PHE 1 2HB PHE 1 -9.051 1.995 -19.643
159 HD1 PHE 1 HD1 PHE 1 -6.764 4.940 -19.480
160 HD2 PHE 1 HD2 PHE 1 -7.291 0.763 -18.551
161 HE1 PHE 1 HE1 PHE 1 -4.693 4.988 -18.099
162 HE2 PHE 1 HE2 PHE 1 -5.216 0.809 -17.176
163 HZ PHE 1 HZ PHE 1 -3.907 2.920 -16.958
164 H VAL 2 H VAL 2 -5.663 1.868 -21.395
165 HA VAL 2 HA VAL 2 -6.393 -0.934 -22.172
166 HB VAL 2 HB VAL 2 -3.828 0.612 -22.826
167 HG11 VAL 2 1HG1 VAL 2 -3.367 -1.780 -22.462
168 HG12 VAL 2 2HG1 VAL 2 -4.693 -2.225 -23.567
169 HG13 VAL 2 3HG1 VAL 2 -3.247 -1.395 -24.189
170 HG21 VAL 2 3HG2 VAL 2 -4.575 0.360 -25.206
171 HG22 VAL 2 1HG2 VAL 2 -6.126 -0.289 -24.626
172 HG23 VAL 2 2HG2 VAL 2 -5.656 1.389 -24.251
173 H ASN 3 H ASN 3 -5.786 -2.441 -20.700
174 HA ASN 3 HA ASN 3 -4.647 -1.571 -18.175
175 HB2 ASN 3 1HB ASN 3 -5.307 -4.293 -19.347
176 HB3 ASN 3 2HB ASN 3 -4.595 -4.078 -17.748
177 HD21 ASN 3 2HD2 ASN 3 -7.250 -5.144 -18.617
178 HD22 ASN 3 1HD2 ASN 3 -8.417 -4.191 -17.734
179 H GLN 4 H GLN 4 -2.568 -1.628 -17.494
180 HA GLN 4 HA GLN 4 -0.660 -3.454 -18.667
181 HB2 GLN 4 1HB GLN 4 0.899 -1.454 -19.219
182 HB3 GLN 4 2HB GLN 4 -0.345 -1.904 -20.389
183 HG2 GLN 4 1HG GLN 4 -1.800 -0.097 -19.495
184 HG3 GLN 4 2HG GLN 4 -0.498 0.407 -18.433
185 HE21 GLN 4 2HE2 GLN 4 -2.037 1.284 -21.067
186 HE22 GLN 4 1HE2 GLN 4 -0.735 1.968 -22.019
187 H HIS 5 H HIS 5 1.108 -3.641 -17.430
188 HA HIS 5 HA HIS 5 1.059 -2.662 -14.671
189 HB2 HIS 5 1HB HIS 5 3.328 -4.017 -16.202
190 HB3 HIS 5 2HB HIS 5 3.205 -3.828 -14.449
191 HD1 HIS 5 HD1 HIS 5 0.513 -4.850 -13.735
192 HD2 HIS 5 HD2 HIS 5 2.801 -6.647 -16.668
193 HE1 HIS 5 HE1 HIS 5 -0.330 -7.260 -13.974
194 HE2 HIS 5 HE2 HIS 5 1.093 -8.327 -15.761
195 H LEU 6 H LEU 6 1.893 -0.719 -13.983
196 HA LEU 6 HA LEU 6 3.727 0.733 -15.828
197 HB2 LEU 6 1HB LEU 6 1.268 1.474 -14.309
198 HB3 LEU 6 2HB LEU 6 2.528 2.669 -14.421
199 HG LEU 6 HG LEU 6 1.902 3.304 -16.381
200 HD11 LEU 6 1HD1 LEU 6 1.479 0.511 -17.423
201 HD12 LEU 6 2HD1 LEU 6 2.967 1.452 -17.597
202 HD13 LEU 6 3HD1 LEU 6 1.487 2.009 -18.378
203 HD21 LEU 6 3HD2 LEU 6 -0.402 2.850 -17.058
204 HD22 LEU 6 1HD2 LEU 6 -0.277 3.023 -15.298
205 HD23 LEU 6 2HD2 LEU 6 -0.421 1.403 -16.025
206 H CYS 7 H CYS 7 5.661 1.008 -15.023
207 HA CYS 7 HA CYS 7 5.916 1.817 -12.176
208 HB2 CYS 7 1HB CYS 7 6.466 -0.714 -12.799
209 HB3 CYS 7 2HB CYS 7 7.957 -0.009 -13.428
210 H GLY 8 H GLY 8 7.959 3.027 -11.822
211 HA2 GLY 8 1HA GLY 8 9.518 4.608 -12.451
212 HA3 GLY 8 2HA GLY 8 9.784 3.610 -13.890
213 H SER 9 H SER 9 9.960 5.118 -15.460
214 HA SER 9 HA SER 9 8.464 7.519 -15.623
215 HB2 SER 9 1HB SER 9 9.236 7.515 -18.003
216 HB3 SER 9 2HB SER 9 10.538 7.203 -16.832
217 HG SER 9 HG SER 9 10.612 5.734 -18.573
218 H HIS 10 H HIS 10 7.603 4.235 -16.680
219 HA HIS 10 HA HIS 10 5.547 5.038 -18.529
220 HB2 HIS 10 1HB HIS 10 5.971 2.541 -16.870
221 HB3 HIS 10 2HB HIS 10 4.526 2.783 -17.842
222 HD1 HIS 10 HD1 HIS 10 4.621 1.697 -20.060
223 HD2 HIS 10 HD2 HIS 10 8.401 2.989 -18.776
224 HE1 HIS 10 HE1 HIS 10 6.281 1.036 -21.867
225 HE2 HIS 10 HE2 HIS 10 8.558 1.820 -21.078
226 H LEU 11 H LEU 11 5.605 4.650 -14.997
227 HA LEU 11 HA LEU 11 2.756 4.823 -14.648
228 HB2 LEU 11 1HB LEU 11 4.392 3.955 -12.969
229 HB3 LEU 11 2HB LEU 11 5.017 5.582 -12.766
230 HG LEU 11 HG LEU 11 2.873 6.314 -11.810
231 HD11 LEU 11 1HD1 LEU 11 1.341 4.769 -12.929
232 HD12 LEU 11 2HD1 LEU 11 1.182 4.636 -11.171
233 HD13 LEU 11 3HD1 LEU 11 2.076 3.391 -12.076
234 HD21 LEU 11 3HD2 LEU 11 4.704 5.425 -10.399
235 HD22 LEU 11 1HD2 LEU 11 3.999 3.794 -10.522
236 HD23 LEU 11 2HD2 LEU 11 3.105 5.094 -9.699
237 H VAL 12 H VAL 12 5.407 7.198 -14.674
238 HA VAL 12 HA VAL 12 3.814 9.473 -14.020
239 HB VAL 12 HB VAL 12 6.395 9.291 -15.654
240 HG11 VAL 12 1HG1 VAL 12 5.290 11.462 -15.969
241 HG12 VAL 12 2HG1 VAL 12 5.150 11.661 -14.208
242 HG13 VAL 12 3HG1 VAL 12 6.750 11.642 -14.981
243 HG21 VAL 12 3HG2 VAL 12 5.924 9.701 -12.666
244 HG22 VAL 12 1HG2 VAL 12 6.691 8.293 -13.436
245 HG23 VAL 12 2HG2 VAL 12 7.497 9.871 -13.478
246 H GLU 13 H GLU 13 4.759 8.058 -17.201
247 HA GLU 13 HA GLU 13 3.503 10.128 -18.718
248 HB2 GLU 13 1HB GLU 13 4.158 7.264 -19.452
249 HB3 GLU 13 2HB GLU 13 3.545 8.471 -20.591
250 HG2 GLU 13 1HG GLU 13 6.172 8.564 -19.083
251 HG3 GLU 13 2HG GLU 13 5.946 8.353 -20.822
252 HE2 GLU 13 HE2 GLU 13 4.482 10.076 -21.588
253 H ALA 14 H ALA 14 2.216 7.197 -17.242
254 HA ALA 14 HA ALA 14 -0.259 7.205 -18.729
255 HB1 ALA 14 3HB ALA 14 0.395 6.065 -15.989
256 HB2 ALA 14 1HB ALA 14 -1.002 5.640 -17.006
257 HB3 ALA 14 2HB ALA 14 0.644 5.230 -17.540
258 H LEU 15 H LEU 15 0.882 8.755 -15.744
259 HA LEU 15 HA LEU 15 -1.705 9.510 -14.808
260 HB2 LEU 15 1HB LEU 15 1.081 10.537 -14.277
261 HB3 LEU 15 2HB LEU 15 -0.337 11.246 -13.505
262 HG LEU 15 HG LEU 15 0.320 8.297 -13.314
263 HD11 LEU 15 1HD1 LEU 15 2.164 9.622 -12.329
264 HD12 LEU 15 2HD1 LEU 15 1.242 8.730 -11.103
265 HD13 LEU 15 3HD1 LEU 15 0.986 10.478 -11.305
266 HD21 LEU 15 3HD2 LEU 15 -1.422 10.087 -11.596
267 HD22 LEU 15 1HD2 LEU 15 -1.231 8.319 -11.482
268 HD23 LEU 15 2HD2 LEU 15 -2.031 9.026 -12.883
269 H TYR 16 H TYR 16 0.435 11.044 -17.171
270 HA TYR 16 HA TYR 16 -0.812 13.620 -17.177
271 HB2 TYR 16 1HB TYR 16 0.474 11.973 -19.383
272 HB3 TYR 16 2HB TYR 16 -0.220 13.567 -19.679
273 HD1 TYR 16 HD2 TYR 16 0.763 15.610 -18.595
274 HD2 TYR 16 HD1 TYR 16 2.627 11.759 -18.315
275 HE1 TYR 16 HE2 TYR 16 2.912 16.692 -17.913
276 HE2 TYR 16 HE1 TYR 16 4.778 12.836 -17.664
277 HH TYR 16 HH TYR 16 5.869 14.796 -17.267
278 H LEU 17 H LEU 17 -1.695 10.536 -18.731
279 HA LEU 17 HA LEU 17 -3.824 11.679 -20.298
280 HB2 LEU 17 1HB LEU 17 -3.480 8.834 -19.313
281 HB3 LEU 17 2HB LEU 17 -4.529 9.380 -20.609
282 HG LEU 17 HG LEU 17 -1.495 9.524 -20.681
283 HD11 LEU 17 1HD1 LEU 17 -2.302 7.196 -20.523
284 HD12 LEU 17 2HD1 LEU 17 -1.620 7.539 -22.128
285 HD13 LEU 17 3HD1 LEU 17 -3.384 7.474 -21.909
286 HD21 LEU 17 3HD2 LEU 17 -2.556 11.132 -22.199
287 HD22 LEU 17 1HD2 LEU 17 -3.591 9.850 -22.870
288 HD23 LEU 17 2HD2 LEU 17 -1.831 9.804 -23.124
289 H VAL 18 H VAL 18 -3.688 10.050 -17.138
290 HA VAL 18 HA VAL 18 -6.571 9.862 -16.921
291 HB VAL 18 HB VAL 18 -4.380 9.543 -14.815
292 HG11 VAL 18 1HG1 VAL 18 -6.544 9.936 -13.716
293 HG12 VAL 18 2HG1 VAL 18 -7.323 8.717 -14.753
294 HG13 VAL 18 3HG1 VAL 18 -6.096 8.227 -13.557
295 HG21 VAL 18 3HG2 VAL 18 -4.043 7.928 -16.548
296 HG22 VAL 18 1HG2 VAL 18 -4.899 7.080 -15.254
297 HG23 VAL 18 2HG2 VAL 18 -5.789 7.606 -16.691
298 H CYS 19 H CYS 19 -4.085 12.127 -15.744
299 HA CYS 19 HA CYS 19 -6.112 13.606 -14.251
300 HB2 CYS 19 1HB CYS 19 -3.201 13.687 -14.531
301 HB3 CYS 19 2HB CYS 19 -3.965 15.280 -14.415
302 H GLY 20 H GLY 20 -4.705 13.755 -17.495
303 HA2 GLY 20 1HA GLY 20 -5.144 15.247 -19.202
304 HA3 GLY 20 2HA GLY 20 -6.670 15.627 -18.372
305 H GLU 21 H GLU 21 -6.762 17.784 -18.403
306 HA GLU 21 HA GLU 21 -4.494 19.509 -18.148
307 HB2 GLU 21 1HB GLU 21 -7.454 20.081 -17.737
308 HB3 GLU 21 2HB GLU 21 -6.187 21.293 -17.932
309 HG2 GLU 21 1HG GLU 21 -6.884 21.258 -20.087
310 HG3 GLU 21 2HG GLU 21 -5.747 19.909 -20.204
311 HE2 GLU 21 HE2 GLU 21 -9.156 19.202 -21.445
312 H ARG 22 H ARG 22 -6.083 17.759 -15.641
313 HA ARG 22 HA ARG 22 -6.035 19.789 -13.603
314 HB2 ARG 22 1HB ARG 22 -5.948 16.779 -13.415
315 HB3 ARG 22 2HB ARG 22 -6.101 17.859 -12.028
316 HG2 ARG 22 1HG ARG 22 -8.184 18.777 -12.938
317 HG3 ARG 22 2HG ARG 22 -8.070 17.673 -14.328
318 HD2 ARG 22 1HD ARG 22 -8.106 16.780 -11.444
319 HD3 ARG 22 2HD ARG 22 -9.555 16.891 -12.459
320 HE ARG 22 HE ARG 22 -7.892 15.371 -13.986
321 HH11 ARG 22 1HH1 ARG 22 -8.798 15.053 -10.580
322 HH12 ARG 22 2HH1 ARG 22 -8.752 13.308 -10.632
323 HH21 ARG 22 1HH2 ARG 22 -7.896 13.103 -13.963
324 HH22 ARG 22 2HH2 ARG 22 -8.238 12.243 -12.479
325 H GLY 23 H GLY 23 -3.528 17.782 -14.959
326 HA2 GLY 23 1HA GLY 23 -1.247 17.752 -14.486
327 HA3 GLY 23 2HA GLY 23 -1.501 19.025 -13.271
328 H PHE 24 H PHE 24 0.238 17.026 -12.556
329 HA PHE 24 HA PHE 24 -1.173 15.789 -10.317
330 HB2 PHE 24 1HB PHE 24 -0.582 13.502 -10.825
331 HB3 PHE 24 2HB PHE 24 -1.553 14.136 -12.150
332 HD1 PHE 24 HD1 PHE 24 -0.517 14.699 -14.327
333 HD2 PHE 24 HD2 PHE 24 1.706 12.841 -11.157
334 HE1 PHE 24 HE1 PHE 24 1.262 14.077 -15.938
335 HE2 PHE 24 HE2 PHE 24 3.477 12.189 -12.766
336 HZ PHE 24 HZ PHE 24 3.261 12.815 -15.175
337 H PHE 25 H PHE 25 0.582 14.390 -9.109
338 HA PHE 25 HA PHE 25 3.281 15.588 -9.485
339 HB2 PHE 25 1HB PHE 25 3.489 15.919 -7.082
340 HB3 PHE 25 2HB PHE 25 2.084 16.823 -7.663
341 HD1 PHE 25 HD2 PHE 25 -0.245 15.890 -7.257
342 HD2 PHE 25 HD1 PHE 25 3.272 14.189 -5.447
343 HE1 PHE 25 HE2 PHE 25 -1.680 14.688 -5.621
344 HE2 PHE 25 HE1 PHE 25 1.847 13.005 -3.783
345 HZ PHE 25 HZ PHE 25 -0.637 13.240 -3.877
346 H TYR 26 H TYR 26 4.909 14.205 -8.283
347 HA TYR 26 HA TYR 26 3.995 11.511 -7.554
348 HB2 TYR 26 1HB TYR 26 4.368 11.425 -10.050
349 HB3 TYR 26 2HB TYR 26 6.044 11.929 -9.774
350 HD1 TYR 26 HD2 TYR 26 3.562 9.283 -8.752
351 HD2 TYR 26 HD1 TYR 26 7.699 10.262 -9.428
352 HE1 TYR 26 HE2 TYR 26 4.196 6.912 -8.331
353 HE2 TYR 26 HE1 TYR 26 8.323 7.876 -9.028
354 HH TYR 26 HH TYR 26 5.882 5.385 -8.252
355 H THR 27 H THR 27 5.637 10.487 -6.242
356 HA THR 27 HA THR 27 7.810 12.382 -5.425
357 HB THR 27 HB THR 27 7.670 11.316 -3.187
358 HG1 THR 27 HG1 THR 27 6.620 9.373 -4.073
359 HG21 THR 27 1HG2 THR 27 4.976 12.396 -4.116
360 HG22 THR 27 2HG2 THR 27 6.383 13.410 -3.718
361 HG23 THR 27 3HG2 THR 27 5.622 12.410 -2.462
362 HA PRO 28 HA PRO 28 9.921 8.563 -6.839
363 HB2 PRO 28 1HB PRO 28 11.983 9.718 -8.173
364 HB3 PRO 28 2HB PRO 28 10.350 9.601 -8.908
365 HG2 PRO 28 1HG PRO 28 11.623 11.915 -7.471
366 HG3 PRO 28 2HG PRO 28 10.798 11.892 -9.062
367 HD2 PRO 28 1HD PRO 28 9.549 12.655 -6.760
368 HD3 PRO 28 2HD PRO 28 8.679 11.810 -8.084
369 H LYS 29 H LYS 29 12.157 7.803 -6.272
370 HA LYS 29 HA LYS 29 13.585 9.445 -4.259
371 HB2 LYS 29 1HB LYS 29 12.492 6.639 -3.762
372 HB3 LYS 29 2HB LYS 29 13.712 7.426 -2.746
373 HG2 LYS 29 1HG LYS 29 12.139 9.206 -2.177
374 HG3 LYS 29 2HG LYS 29 10.927 8.502 -3.256
375 HD2 LYS 29 1HD LYS 29 10.811 6.494 -1.868
376 HD3 LYS 29 2HD LYS 29 12.050 7.164 -0.781
377 HE2 LYS 29 1HE LYS 29 9.776 7.542 0.126
378 HE3 LYS 29 2HE LYS 29 10.586 9.074 -0.256
379 HZ1 LYS 29 3HZ LYS 29 8.314 9.103 -1.051
380 HZ2 LYS 29 1HZ LYS 29 8.547 7.743 -1.955
381 HZ3 LYS 29 2HZ LYS 29 9.333 9.135 -2.350
382 H THR 30 H THR 30 15.773 8.857 -4.154
383 HA THR 30 HA THR 30 16.710 7.239 -6.469
384 HB THR 30 HB THR 30 18.883 8.556 -5.899
385 HG1 THR 30 HG1 THR 30 18.433 10.456 -4.662
386 HG21 THR 30 1HG2 THR 30 17.351 9.180 -7.825
387 HG22 THR 30 2HG2 THR 30 18.062 10.607 -7.061
388 HG23 THR 30 3HG2 THR 30 16.381 10.170 -6.717
389 HXT THR 30 H02 THR 30 18.788 5.301 -4.637
Start of MODEL 32
1 H1 GLY 1 3H0 GLY 1 3.520 -1.318 -2.234
2 H2 GLY 1 2H0 GLY 1 3.319 -1.115 -0.610
3 H3 GLY 1 1H0 GLY 1 2.008 -1.378 -1.579
4 HA2 GLY 1 1HA GLY 1 2.156 0.958 -0.920
5 HA3 GLY 1 2HA GLY 1 3.753 1.015 -1.692
6 H ILE 2 H ILE 2 1.605 2.778 -2.552
7 HA ILE 2 HA ILE 2 -0.021 1.555 -4.506
8 HB ILE 2 HB ILE 2 -0.427 3.780 -3.425
9 HG12 ILE 2 1HG1 ILE 2 -0.563 3.765 -6.457
10 HG13 ILE 2 2HG1 ILE 2 -1.673 2.913 -5.388
11 HG21 ILE 2 1HG2 ILE 2 0.579 5.825 -4.298
12 HG22 ILE 2 2HG2 ILE 2 1.874 4.750 -3.749
13 HG23 ILE 2 3HG2 ILE 2 1.525 4.912 -5.488
14 HD11 ILE 2 3HD1 ILE 2 -2.736 4.960 -6.122
15 HD12 ILE 2 1HD1 ILE 2 -2.347 5.139 -4.396
16 HD13 ILE 2 2HD1 ILE 2 -1.338 5.938 -5.631
17 H VAL 3 H VAL 3 3.225 2.971 -4.917
18 HA VAL 3 HA VAL 3 3.252 2.793 -7.770
19 HB VAL 3 HB VAL 3 5.609 2.561 -5.842
20 HG11 VAL 3 1HG1 VAL 3 5.502 3.494 -8.749
21 HG12 VAL 3 2HG1 VAL 3 6.953 3.427 -7.716
22 HG13 VAL 3 3HG1 VAL 3 6.134 1.928 -8.202
23 HG21 VAL 3 3HG2 VAL 3 4.238 5.021 -7.009
24 HG22 VAL 3 1HG2 VAL 3 4.373 4.579 -5.290
25 HG23 VAL 3 2HG2 VAL 3 5.823 5.049 -6.199
26 H GLU 4 H GLU 4 4.149 0.557 -5.176
27 HA GLU 4 HA GLU 4 5.295 -1.478 -6.787
28 HB2 GLU 4 1HB GLU 4 5.442 -1.227 -4.291
29 HB3 GLU 4 2HB GLU 4 3.760 -1.735 -4.185
30 HG2 GLU 4 1HG GLU 4 4.367 -3.917 -5.170
31 HG3 GLU 4 2HG GLU 4 6.065 -3.409 -5.176
32 HE2 GLU 4 HE2 GLU 4 5.772 -5.210 -2.216
33 H GLN 5 H GLN 5 1.904 -0.873 -5.736
34 HA GLN 5 HA GLN 5 0.893 -3.319 -6.802
35 HB2 GLN 5 1HB GLN 5 -0.621 -0.691 -6.610
36 HB3 GLN 5 2HB GLN 5 -1.303 -2.310 -6.710
37 HG2 GLN 5 1HG GLN 5 -0.095 -0.885 -4.374
38 HG3 GLN 5 2HG GLN 5 -1.566 -1.843 -4.462
39 HE21 GLN 5 2HE2 GLN 5 -1.120 -4.275 -4.931
40 HE22 GLN 5 1HE2 GLN 5 0.175 -4.977 -3.992
41 H CYS 6 H CYS 6 1.303 -0.065 -8.261
42 HA CYS 6 HA CYS 6 0.059 -0.876 -10.754
43 HB2 CYS 6 1HB CYS 6 1.878 1.485 -10.171
44 HB3 CYS 6 2HB CYS 6 0.853 1.279 -11.596
45 H CYS 7 H CYS 7 3.199 -1.299 -9.418
46 HA CYS 7 HA CYS 7 4.516 -1.593 -12.005
47 HB2 CYS 7 1HB CYS 7 5.275 -1.785 -9.138
48 HB3 CYS 7 2HB CYS 7 6.164 -2.838 -10.243
49 H THR 8 H THR 8 3.275 -3.752 -9.394
50 HA THR 8 HA THR 8 4.089 -6.114 -10.918
51 HB THR 8 HB THR 8 4.199 -5.993 -8.398
52 HG1 THR 8 HG1 THR 8 4.124 -7.991 -9.602
53 HG21 THR 8 1HG2 THR 8 2.235 -6.345 -7.075
54 HG22 THR 8 2HG2 THR 8 1.209 -6.504 -8.514
55 HG23 THR 8 3HG2 THR 8 1.921 -4.929 -8.094
56 H SER 9 H SER 9 1.125 -4.255 -10.538
57 HA SER 9 HA SER 9 -0.154 -6.194 -12.404
58 HB2 SER 9 1HB SER 9 -2.270 -6.025 -11.184
59 HB3 SER 9 2HB SER 9 -1.013 -6.554 -10.047
60 HG SER 9 HG SER 9 -0.828 -4.172 -9.589
61 H ILE 10 H ILE 10 -2.445 -4.879 -13.072
62 HA ILE 10 HA ILE 10 -1.288 -2.342 -14.141
63 HB ILE 10 HB ILE 10 -3.680 -3.989 -15.128
64 HG12 ILE 10 1HG1 ILE 10 -1.826 -3.603 -17.188
65 HG13 ILE 10 2HG1 ILE 10 -0.807 -3.897 -15.792
66 HG21 ILE 10 1HG2 ILE 10 -4.033 -1.550 -15.473
67 HG22 ILE 10 2HG2 ILE 10 -2.436 -1.429 -16.253
68 HG23 ILE 10 3HG2 ILE 10 -3.743 -2.380 -17.004
69 HD11 ILE 10 3HD1 ILE 10 -2.082 -6.036 -15.391
70 HD12 ILE 10 1HD1 ILE 10 -2.959 -5.728 -16.909
71 HD13 ILE 10 2HD1 ILE 10 -1.195 -5.986 -16.936
72 H CYS 11 H CYS 11 -1.790 -0.595 -13.040
73 HA CYS 11 HA CYS 11 -4.205 -0.468 -11.385
74 HB2 CYS 11 1HB CYS 11 -2.026 1.511 -12.132
75 HB3 CYS 11 2HB CYS 11 -3.468 1.995 -11.233
76 H SER 12 H SER 12 -6.126 -0.182 -12.303
77 HA SER 12 HA SER 12 -6.528 0.811 -14.971
78 HB2 SER 12 1HB SER 12 -8.474 0.727 -12.625
79 HB3 SER 12 2HB SER 12 -8.896 0.831 -14.350
80 HG SER 12 HG SER 12 -9.032 -1.319 -13.598
81 H LEU 13 H LEU 13 -7.751 2.873 -15.428
82 HA LEU 13 HA LEU 13 -6.343 5.097 -14.522
83 HB2 LEU 13 1HB LEU 13 -7.969 6.447 -15.626
84 HB3 LEU 13 2HB LEU 13 -7.675 5.000 -16.572
85 HG LEU 13 HG LEU 13 -9.904 4.256 -15.141
86 HD11 LEU 13 1HD1 LEU 13 -10.177 6.505 -14.172
87 HD12 LEU 13 2HD1 LEU 13 -11.490 6.148 -15.307
88 HD13 LEU 13 3HD1 LEU 13 -10.164 7.223 -15.801
89 HD21 LEU 13 3HD2 LEU 13 -11.121 4.654 -17.238
90 HD22 LEU 13 1HD2 LEU 13 -9.518 3.961 -17.550
91 HD23 LEU 13 2HD2 LEU 13 -9.801 5.700 -17.817
92 H TYR 14 H TYR 14 -9.261 3.690 -13.084
93 HA TYR 14 HA TYR 14 -9.932 5.856 -11.393
94 HB2 TYR 14 1HB TYR 14 -10.255 2.920 -10.740
95 HB3 TYR 14 2HB TYR 14 -11.283 4.264 -10.232
96 HD1 TYR 14 HD1 TYR 14 -12.536 5.562 -12.156
97 HD2 TYR 14 HD2 TYR 14 -10.764 1.670 -12.676
98 HE1 TYR 14 HE1 TYR 14 -13.943 5.181 -14.184
99 HE2 TYR 14 HE2 TYR 14 -12.159 1.313 -14.717
100 HH TYR 14 HH TYR 14 -14.504 3.733 -15.872
101 H GLN 15 H GLN 15 -7.648 3.173 -10.965
102 HA GLN 15 HA GLN 15 -7.038 3.801 -8.185
103 HB2 GLN 15 1HB GLN 15 -5.573 2.175 -10.298
104 HB3 GLN 15 2HB GLN 15 -5.094 2.270 -8.604
105 HG2 GLN 15 1HG GLN 15 -7.761 1.206 -9.593
106 HG3 GLN 15 2HG GLN 15 -6.359 0.216 -9.163
107 HE21 GLN 15 2HE2 GLN 15 -9.245 1.012 -8.023
108 HE22 GLN 15 1HE2 GLN 15 -8.912 1.088 -6.311
109 H LEU 16 H LEU 16 -5.721 4.529 -11.388
110 HA LEU 16 HA LEU 16 -3.342 5.824 -10.499
111 HB2 LEU 16 1HB LEU 16 -4.953 6.048 -13.041
112 HB3 LEU 16 2HB LEU 16 -3.435 6.896 -12.796
113 HG LEU 16 HG LEU 16 -3.740 3.878 -12.643
114 HD11 LEU 16 1HD1 LEU 16 -4.179 4.653 -14.911
115 HD12 LEU 16 2HD1 LEU 16 -2.612 3.836 -14.826
116 HD13 LEU 16 3HD1 LEU 16 -2.680 5.614 -14.897
117 HD21 LEU 16 3HD2 LEU 16 -1.275 5.669 -12.721
118 HD22 LEU 16 1HD2 LEU 16 -1.254 3.896 -12.861
119 HD23 LEU 16 2HD2 LEU 16 -1.811 4.656 -11.362
120 H GLU 17 H GLU 17 -6.655 7.072 -10.877
121 HA GLU 17 HA GLU 17 -6.082 9.841 -10.765
122 HB2 GLU 17 1HB GLU 17 -8.399 8.199 -9.711
123 HB3 GLU 17 2HB GLU 17 -8.354 9.957 -9.567
124 HG2 GLU 17 1HG GLU 17 -8.258 10.210 -11.977
125 HG3 GLU 17 2HG GLU 17 -8.172 8.462 -12.187
126 HE2 GLU 17 HE2 GLU 17 -11.603 10.182 -11.323
127 H ASN 18 H ASN 18 -5.764 7.473 -8.193
128 HA ASN 18 HA ASN 18 -5.981 9.271 -5.969
129 HB2 ASN 18 1HB ASN 18 -4.501 6.646 -6.306
130 HB3 ASN 18 2HB ASN 18 -4.562 7.539 -4.782
131 HD21 ASN 18 2HD2 ASN 18 -6.158 5.339 -6.813
132 HD22 ASN 18 1HD2 ASN 18 -7.651 5.238 -5.898
133 H TYR 19 H TYR 19 -3.382 8.759 -8.273
134 HA TYR 19 HA TYR 19 -1.250 9.882 -6.617
135 HB2 TYR 19 1HB TYR 19 -1.632 9.422 -9.570
136 HB3 TYR 19 2HB TYR 19 -0.177 10.153 -8.930
137 HD1 TYR 19 HD1 TYR 19 -2.130 6.992 -9.082
138 HD2 TYR 19 HD2 TYR 19 1.533 8.869 -7.849
139 HE1 TYR 19 HE1 TYR 19 -1.082 4.760 -8.813
140 HE2 TYR 19 HE2 TYR 19 2.574 6.628 -7.572
141 HH TYR 19 HH TYR 19 0.789 3.603 -8.250
142 H CYS 20 H CYS 20 -3.991 11.228 -8.159
143 HA CYS 20 HA CYS 20 -2.597 13.744 -8.855
144 HB2 CYS 20 1HB CYS 20 -5.471 12.924 -9.354
145 HB3 CYS 20 2HB CYS 20 -4.611 14.301 -10.071
146 H ASN 21 H ASN 21 -2.803 15.567 -7.735
147 HA ASN 21 HA ASN 21 -4.004 15.535 -5.117
148 HB2 ASN 21 1HB ASN 21 -3.305 18.032 -5.235
149 HB3 ASN 21 2HB ASN 21 -2.020 16.835 -5.331
150 HD21 ASN 21 2HD2 ASN 21 -3.637 19.424 -6.939
151 HD22 ASN 21 1HD2 ASN 21 -2.700 19.369 -8.413
152 HXT ASN 21 H02 ASN 21 -5.873 14.906 -6.068
153 H1 PHE 1 3H0 PHE 1 -8.844 3.110 -22.013
154 H2 PHE 1 2H0 PHE 1 -8.102 2.462 -23.336
155 H3 PHE 1 1H0 PHE 1 -8.803 1.473 -22.221
156 HA PHE 1 HA PHE 1 -6.447 3.184 -21.771
157 HB2 PHE 1 1HB PHE 1 -8.063 2.860 -19.828
158 HB3 PHE 1 2HB PHE 1 -7.704 1.131 -19.911
159 HD1 PHE 1 HD1 PHE 1 -6.233 4.501 -19.261
160 HD2 PHE 1 HD2 PHE 1 -5.687 0.234 -18.949
161 HE1 PHE 1 HE1 PHE 1 -4.244 4.864 -17.810
162 HE2 PHE 1 HE2 PHE 1 -3.698 0.597 -17.497
163 HZ PHE 1 HZ PHE 1 -2.963 2.911 -16.941
164 H VAL 2 H VAL 2 -4.418 2.041 -21.774
165 HA VAL 2 HA VAL 2 -4.608 -0.621 -23.120
166 HB VAL 2 HB VAL 2 -2.234 1.306 -22.889
167 HG11 VAL 2 1HG1 VAL 2 -2.566 -1.286 -24.481
168 HG12 VAL 2 2HG1 VAL 2 -1.173 -0.185 -24.585
169 HG13 VAL 2 3HG1 VAL 2 -1.507 -1.051 -23.070
170 HG21 VAL 2 3HG2 VAL 2 -4.085 0.705 -25.243
171 HG22 VAL 2 1HG2 VAL 2 -3.941 2.250 -24.371
172 HG23 VAL 2 2HG2 VAL 2 -2.585 1.655 -25.344
173 H ASN 3 H ASN 3 -4.195 -2.371 -21.860
174 HA ASN 3 HA ASN 3 -3.318 -1.897 -19.114
175 HB2 ASN 3 1HB ASN 3 -3.954 -4.452 -20.621
176 HB3 ASN 3 2HB ASN 3 -3.428 -4.389 -18.931
177 HD21 ASN 3 2HD2 ASN 3 -5.916 -5.450 -19.862
178 HD22 ASN 3 1HD2 ASN 3 -7.186 -4.461 -19.184
179 H GLN 4 H GLN 4 -1.283 -1.440 -18.785
180 HA GLN 4 HA GLN 4 0.660 -3.539 -19.434
181 HB2 GLN 4 1HB GLN 4 2.341 -1.805 -20.135
182 HB3 GLN 4 2HB GLN 4 1.034 -2.023 -21.305
183 HG2 GLN 4 1HG GLN 4 -0.086 0.000 -20.430
184 HG3 GLN 4 2HG GLN 4 1.243 0.235 -19.295
185 HE21 GLN 4 2HE2 GLN 4 0.168 0.542 -22.567
186 HE22 GLN 4 1HE2 GLN 4 1.579 1.388 -23.157
187 H HIS 5 H HIS 5 2.107 -3.658 -17.771
188 HA HIS 5 HA HIS 5 1.433 -2.398 -15.265
189 HB2 HIS 5 1HB HIS 5 3.966 -3.841 -16.133
190 HB3 HIS 5 2HB HIS 5 3.562 -3.388 -14.476
191 HD1 HIS 5 HD1 HIS 5 0.726 -4.252 -14.125
192 HD2 HIS 5 HD2 HIS 5 3.454 -6.539 -16.242
193 HE1 HIS 5 HE1 HIS 5 -0.202 -6.628 -14.236
194 HE2 HIS 5 HE2 HIS 5 1.508 -8.008 -15.473
195 H LEU 6 H LEU 6 2.483 -0.746 -14.119
196 HA LEU 6 HA LEU 6 3.995 1.126 -15.910
197 HB2 LEU 6 1HB LEU 6 1.878 1.600 -13.805
198 HB3 LEU 6 2HB LEU 6 2.915 2.849 -14.406
199 HG LEU 6 HG LEU 6 1.183 3.394 -15.629
200 HD11 LEU 6 1HD1 LEU 6 2.725 2.670 -17.387
201 HD12 LEU 6 2HD1 LEU 6 1.039 2.440 -17.872
202 HD13 LEU 6 3HD1 LEU 6 2.008 1.044 -17.362
203 HD21 LEU 6 3HD2 LEU 6 -0.335 1.912 -14.504
204 HD22 LEU 6 1HD2 LEU 6 0.216 0.532 -15.480
205 HD23 LEU 6 2HD2 LEU 6 -0.671 1.867 -16.246
206 H CYS 7 H CYS 7 6.043 1.255 -15.266
207 HA CYS 7 HA CYS 7 6.526 1.903 -12.388
208 HB2 CYS 7 1HB CYS 7 8.314 0.272 -14.236
209 HB3 CYS 7 2HB CYS 7 8.740 0.805 -12.607
210 H GLY 8 H GLY 8 8.236 3.457 -12.060
211 HA2 GLY 8 1HA GLY 8 9.508 5.299 -12.622
212 HA3 GLY 8 2HA GLY 8 9.970 4.372 -14.055
213 H SER 9 H SER 9 9.980 5.876 -15.625
214 HA SER 9 HA SER 9 8.217 8.049 -15.871
215 HB2 SER 9 1HB SER 9 9.189 6.915 -18.402
216 HB3 SER 9 2HB SER 9 9.522 8.495 -17.652
217 HG SER 9 HG SER 9 11.425 7.355 -17.606
218 H HIS 10 H HIS 10 7.697 4.669 -16.830
219 HA HIS 10 HA HIS 10 5.572 5.214 -18.712
220 HB2 HIS 10 1HB HIS 10 6.606 2.848 -17.246
221 HB3 HIS 10 2HB HIS 10 4.895 2.789 -17.649
222 HD1 HIS 10 HD1 HIS 10 4.303 1.975 -19.965
223 HD2 HIS 10 HD2 HIS 10 8.280 3.306 -19.678
224 HE1 HIS 10 HE1 HIS 10 5.411 1.465 -22.175
225 HE2 HIS 10 HE2 HIS 10 7.811 2.270 -22.004
226 H LEU 11 H LEU 11 5.705 4.887 -15.171
227 HA LEU 11 HA LEU 11 2.834 4.869 -14.825
228 HB2 LEU 11 1HB LEU 11 4.466 4.041 -13.143
229 HB3 LEU 11 2HB LEU 11 5.068 5.675 -12.932
230 HG LEU 11 HG LEU 11 2.992 6.381 -11.900
231 HD11 LEU 11 1HD1 LEU 11 1.220 4.782 -11.320
232 HD12 LEU 11 2HD1 LEU 11 2.036 3.514 -12.266
233 HD13 LEU 11 3HD1 LEU 11 1.363 4.952 -13.079
234 HD21 LEU 11 3HD2 LEU 11 3.210 5.046 -9.866
235 HD22 LEU 11 1HD2 LEU 11 4.810 5.316 -10.586
236 HD23 LEU 11 2HD2 LEU 11 4.005 3.735 -10.777
237 H VAL 12 H VAL 12 5.362 7.376 -14.780
238 HA VAL 12 HA VAL 12 3.661 9.544 -14.082
239 HB VAL 12 HB VAL 12 6.195 9.535 -15.787
240 HG11 VAL 12 1HG1 VAL 12 4.918 11.631 -15.991
241 HG12 VAL 12 2HG1 VAL 12 4.916 11.796 -14.223
242 HG13 VAL 12 3HG1 VAL 12 6.447 11.871 -15.123
243 HG21 VAL 12 3HG2 VAL 12 5.790 9.866 -12.781
244 HG22 VAL 12 1HG2 VAL 12 6.599 8.510 -13.597
245 HG23 VAL 12 2HG2 VAL 12 7.329 10.124 -13.633
246 H GLU 13 H GLU 13 4.550 8.187 -17.289
247 HA GLU 13 HA GLU 13 3.108 10.139 -18.822
248 HB2 GLU 13 1HB GLU 13 4.008 7.300 -19.354
249 HB3 GLU 13 2HB GLU 13 3.093 8.225 -20.550
250 HG2 GLU 13 1HG GLU 13 5.741 9.111 -19.356
251 HG3 GLU 13 2HG GLU 13 5.553 8.301 -20.917
252 HE2 GLU 13 HE2 GLU 13 6.410 10.852 -20.025
253 H ALA 14 H ALA 14 2.117 7.125 -17.228
254 HA ALA 14 HA ALA 14 -0.443 6.982 -18.541
255 HB1 ALA 14 3HB ALA 14 -1.013 5.409 -16.767
256 HB2 ALA 14 1HB ALA 14 0.640 5.088 -17.341
257 HB3 ALA 14 2HB ALA 14 0.383 5.943 -15.803
258 H LEU 15 H LEU 15 0.758 8.524 -15.556
259 HA LEU 15 HA LEU 15 -1.809 9.373 -14.616
260 HB2 LEU 15 1HB LEU 15 0.985 10.446 -14.136
261 HB3 LEU 15 2HB LEU 15 -0.446 11.001 -13.270
262 HG LEU 15 HG LEU 15 0.543 8.137 -13.235
263 HD11 LEU 15 1HD1 LEU 15 1.347 8.570 -10.994
264 HD12 LEU 15 2HD1 LEU 15 0.841 10.270 -11.114
265 HD13 LEU 15 3HD1 LEU 15 2.151 9.653 -12.148
266 HD21 LEU 15 3HD2 LEU 15 -1.587 9.613 -11.717
267 HD22 LEU 15 1HD2 LEU 15 -1.002 7.979 -11.320
268 HD23 LEU 15 2HD2 LEU 15 -1.803 8.276 -12.863
269 H TYR 16 H TYR 16 0.521 10.868 -16.846
270 HA TYR 16 HA TYR 16 -0.744 13.424 -17.009
271 HB2 TYR 16 1HB TYR 16 0.953 11.788 -18.897
272 HB3 TYR 16 2HB TYR 16 0.140 13.240 -19.480
273 HD1 TYR 16 HD1 TYR 16 0.468 15.423 -18.001
274 HD2 TYR 16 HD2 TYR 16 3.123 12.038 -17.990
275 HE1 TYR 16 HE1 TYR 16 2.304 16.862 -17.119
276 HE2 TYR 16 HE2 TYR 16 4.965 13.501 -17.138
277 HH TYR 16 HH TYR 16 4.491 16.958 -16.447
278 H LEU 17 H LEU 17 -1.454 10.318 -18.645
279 HA LEU 17 HA LEU 17 -3.466 11.507 -20.350
280 HB2 LEU 17 1HB LEU 17 -3.101 8.649 -19.416
281 HB3 LEU 17 2HB LEU 17 -4.220 9.188 -20.655
282 HG LEU 17 HG LEU 17 -1.203 9.459 -20.860
283 HD11 LEU 17 1HD1 LEU 17 -1.306 7.510 -22.352
284 HD12 LEU 17 2HD1 LEU 17 -3.053 7.354 -22.047
285 HD13 LEU 17 3HD1 LEU 17 -1.885 7.095 -20.725
286 HD21 LEU 17 3HD2 LEU 17 -3.415 9.743 -22.937
287 HD22 LEU 17 1HD2 LEU 17 -1.667 9.770 -23.279
288 HD23 LEU 17 2HD2 LEU 17 -2.392 11.050 -22.290
289 H VAL 18 H VAL 18 -3.590 9.773 -17.231
290 HA VAL 18 HA VAL 18 -6.451 9.541 -17.215
291 HB VAL 18 HB VAL 18 -4.375 9.374 -14.979
292 HG11 VAL 18 1HG1 VAL 18 -6.515 9.892 -13.932
293 HG12 VAL 18 2HG1 VAL 18 -7.336 8.649 -14.902
294 HG13 VAL 18 3HG1 VAL 18 -6.138 8.184 -13.668
295 HG21 VAL 18 3HG2 VAL 18 -4.757 6.954 -15.221
296 HG22 VAL 18 1HG2 VAL 18 -5.897 7.260 -16.547
297 HG23 VAL 18 2HG2 VAL 18 -4.184 7.669 -16.730
298 H CYS 19 H CYS 19 -4.234 11.864 -15.645
299 HA CYS 19 HA CYS 19 -6.649 13.335 -14.716
300 HB2 CYS 19 1HB CYS 19 -3.752 13.410 -13.862
301 HB3 CYS 19 2HB CYS 19 -4.977 14.565 -13.285
302 H GLY 20 H GLY 20 -4.517 13.414 -17.357
303 HA2 GLY 20 1HA GLY 20 -4.335 15.017 -18.999
304 HA3 GLY 20 2HA GLY 20 -5.782 15.764 -18.310
305 H GLU 21 H GLU 21 -5.100 17.816 -18.704
306 HA GLU 21 HA GLU 21 -2.534 18.814 -17.936
307 HB2 GLU 21 1HB GLU 21 -5.127 20.233 -18.621
308 HB3 GLU 21 2HB GLU 21 -3.559 21.031 -18.439
309 HG2 GLU 21 1HG GLU 21 -2.648 19.645 -20.286
310 HG3 GLU 21 2HG GLU 21 -4.240 18.908 -20.505
311 HE2 GLU 21 HE2 GLU 21 -3.973 21.523 -22.862
312 H ARG 22 H ARG 22 -5.125 18.072 -15.797
313 HA ARG 22 HA ARG 22 -4.875 20.441 -14.152
314 HB2 ARG 22 1HB ARG 22 -6.452 19.519 -12.809
315 HB3 ARG 22 2HB ARG 22 -6.765 18.608 -14.287
316 HG2 ARG 22 1HG ARG 22 -5.234 16.792 -13.303
317 HG3 ARG 22 2HG ARG 22 -5.312 17.707 -11.782
318 HD2 ARG 22 1HD ARG 22 -7.007 16.114 -11.601
319 HD3 ARG 22 2HD ARG 22 -7.845 17.616 -12.062
320 HE ARG 22 HE ARG 22 -7.144 16.223 -14.421
321 HH11 ARG 22 1HH1 ARG 22 -9.359 15.784 -11.700
322 HH12 ARG 22 2HH1 ARG 22 -10.467 14.818 -12.637
323 HH21 ARG 22 1HH2 ARG 22 -8.592 14.990 -15.543
324 HH22 ARG 22 2HH2 ARG 22 -10.036 14.377 -14.785
325 H GLY 23 H GLY 23 -2.890 17.710 -14.647
326 HA2 GLY 23 1HA GLY 23 -0.754 17.426 -13.764
327 HA3 GLY 23 2HA GLY 23 -1.101 18.634 -12.520
328 H PHE 24 H PHE 24 0.249 16.664 -11.613
329 HA PHE 24 HA PHE 24 -1.429 15.280 -9.717
330 HB2 PHE 24 1HB PHE 24 -0.740 13.001 -10.372
331 HB3 PHE 24 2HB PHE 24 -1.739 13.747 -11.620
332 HD1 PHE 24 HD2 PHE 24 1.644 12.596 -10.757
333 HD2 PHE 24 HD1 PHE 24 -0.849 14.363 -13.773
334 HE1 PHE 24 HE2 PHE 24 3.382 12.122 -12.459
335 HE2 PHE 24 HE1 PHE 24 0.888 13.919 -15.477
336 HZ PHE 24 HZ PHE 24 3.011 12.804 -14.840
337 H PHE 25 H PHE 25 0.369 13.682 -8.549
338 HA PHE 25 HA PHE 25 3.020 15.019 -8.767
339 HB2 PHE 25 1HB PHE 25 3.223 15.178 -6.356
340 HB3 PHE 25 2HB PHE 25 1.803 16.083 -6.889
341 HD1 PHE 25 HD1 PHE 25 -0.484 15.233 -6.416
342 HD2 PHE 25 HD2 PHE 25 3.020 13.204 -4.958
343 HE1 PHE 25 HE1 PHE 25 -1.900 13.937 -4.827
344 HE2 PHE 25 HE2 PHE 25 1.613 11.905 -3.368
345 HZ PHE 25 HZ PHE 25 -0.857 12.260 -3.311
346 H TYR 26 H TYR 26 4.721 13.705 -7.647
347 HA TYR 26 HA TYR 26 4.033 10.864 -7.274
348 HB2 TYR 26 1HB TYR 26 4.515 11.065 -9.701
349 HB3 TYR 26 2HB TYR 26 6.075 11.813 -9.324
350 HD1 TYR 26 HD2 TYR 26 4.072 8.676 -8.834
351 HD2 TYR 26 HD1 TYR 26 7.994 10.453 -8.877
352 HE1 TYR 26 HE2 TYR 26 5.107 6.419 -8.631
353 HE2 TYR 26 HE1 TYR 26 9.016 8.181 -8.703
354 HH TYR 26 HH TYR 26 7.026 5.220 -8.495
355 H THR 27 H THR 27 5.470 9.875 -5.864
356 HA THR 27 HA THR 27 7.509 11.691 -4.666
357 HB THR 27 HB THR 27 7.251 10.217 -2.647
358 HG1 THR 27 HG1 THR 27 6.397 8.407 -3.802
359 HG21 THR 27 1HG2 THR 27 5.954 12.354 -2.931
360 HG22 THR 27 2HG2 THR 27 5.109 11.135 -1.952
361 HG23 THR 27 3HG2 THR 27 4.623 11.404 -3.639
362 HA PRO 28 HA PRO 28 10.010 8.364 -6.482
363 HB2 PRO 28 1HB PRO 28 12.352 9.718 -6.799
364 HB3 PRO 28 2HB PRO 28 10.974 9.935 -7.929
365 HG2 PRO 28 1HG PRO 28 11.766 11.622 -5.568
366 HG3 PRO 28 2HG PRO 28 11.403 12.134 -7.247
367 HD2 PRO 28 1HD PRO 28 9.558 12.262 -5.257
368 HD3 PRO 28 2HD PRO 28 9.100 11.864 -6.948
369 H LYS 29 H LYS 29 11.707 7.070 -5.577
370 HA LYS 29 HA LYS 29 12.059 7.486 -2.681
371 HB2 LYS 29 1HB LYS 29 13.237 5.264 -2.803
372 HB3 LYS 29 2HB LYS 29 11.536 5.242 -3.243
373 HG2 LYS 29 1HG LYS 29 11.936 4.744 -5.468
374 HG3 LYS 29 2HG LYS 29 13.525 5.508 -5.489
375 HD2 LYS 29 1HD LYS 29 12.882 2.879 -4.083
376 HD3 LYS 29 2HD LYS 29 13.616 3.016 -5.686
377 HE2 LYS 29 1HE LYS 29 14.839 3.952 -3.045
378 HE3 LYS 29 2HE LYS 29 15.345 2.558 -4.005
379 HZ1 LYS 29 3HZ LYS 29 15.974 4.140 -5.777
380 HZ2 LYS 29 1HZ LYS 29 16.820 4.392 -4.385
381 HZ3 LYS 29 2HZ LYS 29 15.587 5.412 -4.789
382 H THR 30 H THR 30 13.343 9.353 -2.693
383 HA THR 30 HA THR 30 15.838 9.453 -4.140
384 HB THR 30 HB THR 30 16.231 11.497 -2.661
385 HG1 THR 30 HG1 THR 30 14.369 12.072 -1.391
386 HG21 THR 30 1HG2 THR 30 13.453 11.318 -4.006
387 HG22 THR 30 2HG2 THR 30 14.970 11.631 -4.875
388 HG23 THR 30 3HG2 THR 30 14.369 12.800 -3.690
389 HXT THR 30 H02 THR 30 16.791 8.180 -0.601
Start of MODEL 33
1 H1 GLY 1 3H0 GLY 1 2.790 -0.224 -0.209
2 H2 GLY 1 2H0 GLY 1 1.354 -0.416 -0.998
3 H3 GLY 1 1H0 GLY 1 2.767 -0.777 -1.765
4 HA2 GLY 1 1HA GLY 1 1.889 1.913 -0.915
5 HA3 GLY 1 2HA GLY 1 3.457 1.548 -1.658
6 H ILE 2 H ILE 2 1.162 3.302 -2.672
7 HA ILE 2 HA ILE 2 -0.261 1.809 -4.618
8 HB ILE 2 HB ILE 2 -0.932 4.035 -3.686
9 HG12 ILE 2 1HG1 ILE 2 -0.845 3.896 -6.715
10 HG13 ILE 2 2HG1 ILE 2 -1.945 2.976 -5.692
11 HG21 ILE 2 1HG2 ILE 2 1.278 5.201 -3.873
12 HG22 ILE 2 2HG2 ILE 2 1.097 5.227 -5.642
13 HG23 ILE 2 3HG2 ILE 2 -0.036 6.123 -4.615
14 HD11 ILE 2 3HD1 ILE 2 -1.867 6.005 -6.023
15 HD12 ILE 2 1HD1 ILE 2 -3.129 4.886 -6.575
16 HD13 ILE 2 2HD1 ILE 2 -2.885 5.151 -4.835
17 H VAL 3 H VAL 3 2.901 3.417 -4.857
18 HA VAL 3 HA VAL 3 3.147 3.198 -7.691
19 HB VAL 3 HB VAL 3 5.342 3.130 -5.566
20 HG11 VAL 3 1HG1 VAL 3 6.198 2.366 -7.736
21 HG12 VAL 3 2HG1 VAL 3 5.444 3.751 -8.556
22 HG13 VAL 3 3HG1 VAL 3 6.788 4.012 -7.417
23 HG21 VAL 3 3HG2 VAL 3 4.091 5.468 -7.072
24 HG22 VAL 3 1HG2 VAL 3 3.956 5.139 -5.327
25 HG23 VAL 3 2HG2 VAL 3 5.529 5.576 -6.027
26 H GLU 4 H GLU 4 4.018 1.007 -5.016
27 HA GLU 4 HA GLU 4 5.210 -0.982 -6.660
28 HB2 GLU 4 1HB GLU 4 5.787 -1.082 -4.422
29 HB3 GLU 4 2HB GLU 4 4.150 -0.801 -3.857
30 HG2 GLU 4 1HG GLU 4 4.777 -3.368 -5.281
31 HG3 GLU 4 2HG GLU 4 5.299 -3.150 -3.608
32 HE2 GLU 4 HE2 GLU 4 3.376 -4.751 -4.906
33 H GLN 5 H GLN 5 1.830 -0.435 -5.594
34 HA GLN 5 HA GLN 5 0.795 -2.913 -6.565
35 HB2 GLN 5 1HB GLN 5 -0.452 -0.160 -6.270
36 HB3 GLN 5 2HB GLN 5 -1.370 -1.587 -6.752
37 HG2 GLN 5 1HG GLN 5 0.203 -1.419 -4.166
38 HG3 GLN 5 2HG GLN 5 -1.504 -0.980 -4.306
39 HE21 GLN 5 2HE2 GLN 5 0.535 -3.420 -3.433
40 HE22 GLN 5 1HE2 GLN 5 -0.546 -4.773 -3.688
41 H CYS 6 H CYS 6 1.186 0.282 -8.186
42 HA CYS 6 HA CYS 6 0.053 -0.690 -10.681
43 HB2 CYS 6 1HB CYS 6 1.739 1.733 -9.974
44 HB3 CYS 6 2HB CYS 6 1.120 1.416 -11.596
45 H CYS 7 H CYS 7 3.251 -0.719 -9.254
46 HA CYS 7 HA CYS 7 4.661 -1.123 -11.735
47 HB2 CYS 7 1HB CYS 7 5.608 -0.235 -9.559
48 HB3 CYS 7 2HB CYS 7 5.535 -1.882 -8.930
49 H THR 8 H THR 8 3.574 -3.312 -9.081
50 HA THR 8 HA THR 8 4.668 -5.612 -10.524
51 HB THR 8 HB THR 8 4.768 -5.275 -7.984
52 HG1 THR 8 HG1 THR 8 3.799 -7.661 -9.191
53 HG21 THR 8 1HG2 THR 8 2.278 -4.757 -7.747
54 HG22 THR 8 2HG2 THR 8 2.917 -5.994 -6.646
55 HG23 THR 8 3HG2 THR 8 1.979 -6.479 -8.066
56 H SER 9 H SER 9 1.548 -4.079 -10.326
57 HA SER 9 HA SER 9 0.487 -6.296 -11.979
58 HB2 SER 9 1HB SER 9 -0.890 -5.214 -9.461
59 HB3 SER 9 2HB SER 9 -1.629 -6.327 -10.635
60 HG SER 9 HG SER 9 0.725 -7.340 -9.948
61 H ILE 10 H ILE 10 -1.985 -5.434 -12.595
62 HA ILE 10 HA ILE 10 -1.337 -2.760 -13.737
63 HB ILE 10 HB ILE 10 -3.463 -4.803 -14.554
64 HG12 ILE 10 1HG1 ILE 10 -1.712 -4.078 -16.671
65 HG13 ILE 10 2HG1 ILE 10 -0.679 -4.346 -15.289
66 HG21 ILE 10 1HG2 ILE 10 -2.723 -2.105 -15.803
67 HG22 ILE 10 2HG2 ILE 10 -3.896 -3.277 -16.453
68 HG23 ILE 10 3HG2 ILE 10 -4.232 -2.457 -14.927
69 HD11 ILE 10 3HD1 ILE 10 -1.660 -6.624 -15.022
70 HD12 ILE 10 1HD1 ILE 10 -2.655 -6.329 -16.470
71 HD13 ILE 10 2HD1 ILE 10 -0.879 -6.376 -16.608
72 H CYS 11 H CYS 11 -1.941 -1.163 -12.466
73 HA CYS 11 HA CYS 11 -4.406 -1.381 -10.867
74 HB2 CYS 11 1HB CYS 11 -3.775 0.866 -10.076
75 HB3 CYS 11 2HB CYS 11 -2.447 -0.279 -9.888
76 H SER 12 H SER 12 -6.293 -0.175 -11.364
77 HA SER 12 HA SER 12 -6.648 0.254 -14.229
78 HB2 SER 12 1HB SER 12 -8.990 0.606 -13.651
79 HB3 SER 12 2HB SER 12 -8.377 -0.809 -12.771
80 HG SER 12 HG SER 12 -9.423 0.392 -11.268
81 H LEU 13 H LEU 13 -7.905 2.283 -14.940
82 HA LEU 13 HA LEU 13 -6.314 4.574 -14.448
83 HB2 LEU 13 1HB LEU 13 -7.857 5.777 -15.799
84 HB3 LEU 13 2HB LEU 13 -7.654 4.172 -16.477
85 HG LEU 13 HG LEU 13 -9.904 3.779 -14.981
86 HD11 LEU 13 1HD1 LEU 13 -10.033 6.646 -16.019
87 HD12 LEU 13 2HD1 LEU 13 -10.061 6.147 -14.312
88 HD13 LEU 13 3HD1 LEU 13 -11.402 5.707 -15.381
89 HD21 LEU 13 3HD2 LEU 13 -11.122 3.972 -17.106
90 HD22 LEU 13 1HD2 LEU 13 -9.563 3.155 -17.327
91 HD23 LEU 13 2HD2 LEU 13 -9.751 4.856 -17.820
92 H TYR 14 H TYR 14 -9.165 3.371 -12.765
93 HA TYR 14 HA TYR 14 -9.797 5.855 -11.452
94 HB2 TYR 14 1HB TYR 14 -10.343 3.042 -10.457
95 HB3 TYR 14 2HB TYR 14 -11.245 4.515 -10.076
96 HD1 TYR 14 HD1 TYR 14 -12.509 5.683 -12.025
97 HD2 TYR 14 HD2 TYR 14 -10.924 1.692 -12.318
98 HE1 TYR 14 HE1 TYR 14 -13.992 5.231 -13.982
99 HE2 TYR 14 HE2 TYR 14 -12.395 1.258 -14.293
100 HH TYR 14 HH TYR 14 -14.671 3.697 -15.541
101 H GLN 15 H GLN 15 -7.749 3.042 -10.691
102 HA GLN 15 HA GLN 15 -7.015 3.945 -8.055
103 HB2 GLN 15 1HB GLN 15 -5.540 2.135 -9.994
104 HB3 GLN 15 2HB GLN 15 -5.155 2.329 -8.284
105 HG2 GLN 15 1HG GLN 15 -7.769 1.228 -9.385
106 HG3 GLN 15 2HG GLN 15 -6.425 0.264 -8.772
107 HE21 GLN 15 2HE2 GLN 15 -6.209 -0.044 -6.583
108 HE22 GLN 15 1HE2 GLN 15 -7.326 0.615 -5.413
109 H LEU 16 H LEU 16 -5.740 4.379 -11.332
110 HA LEU 16 HA LEU 16 -3.381 5.805 -10.602
111 HB2 LEU 16 1HB LEU 16 -5.064 5.791 -13.101
112 HB3 LEU 16 2HB LEU 16 -3.632 6.795 -12.954
113 HG LEU 16 HG LEU 16 -3.636 3.781 -12.666
114 HD11 LEU 16 1HD1 LEU 16 -2.648 3.672 -14.870
115 HD12 LEU 16 2HD1 LEU 16 -2.742 5.441 -15.033
116 HD13 LEU 16 3HD1 LEU 16 -4.228 4.463 -14.958
117 HD21 LEU 16 3HD2 LEU 16 -1.178 4.023 -12.969
118 HD22 LEU 16 1HD2 LEU 16 -1.755 4.821 -11.499
119 HD23 LEU 16 2HD2 LEU 16 -1.368 5.790 -12.937
120 H GLU 17 H GLU 17 -6.763 6.981 -10.998
121 HA GLU 17 HA GLU 17 -6.005 9.744 -10.918
122 HB2 GLU 17 1HB GLU 17 -8.598 8.334 -10.269
123 HB3 GLU 17 2HB GLU 17 -8.386 10.081 -10.078
124 HG2 GLU 17 1HG GLU 17 -7.556 10.115 -12.484
125 HG3 GLU 17 2HG GLU 17 -8.177 8.465 -12.623
126 HE2 GLU 17 HE2 GLU 17 -8.969 10.290 -14.130
127 H ASN 18 H ASN 18 -5.902 7.442 -8.351
128 HA ASN 18 HA ASN 18 -6.271 9.276 -6.154
129 HB2 ASN 18 1HB ASN 18 -4.711 6.698 -6.389
130 HB3 ASN 18 2HB ASN 18 -4.787 7.638 -4.900
131 HD21 ASN 18 2HD2 ASN 18 -6.368 5.378 -6.893
132 HD22 ASN 18 1HD2 ASN 18 -7.834 5.240 -5.945
133 H TYR 19 H TYR 19 -3.650 8.769 -8.421
134 HA TYR 19 HA TYR 19 -1.554 10.010 -6.819
135 HB2 TYR 19 1HB TYR 19 -1.936 9.466 -9.753
136 HB3 TYR 19 2HB TYR 19 -0.503 10.259 -9.152
137 HD1 TYR 19 HD2 TYR 19 -2.318 7.039 -9.275
138 HD2 TYR 19 HD1 TYR 19 1.232 9.062 -7.968
139 HE1 TYR 19 HE2 TYR 19 -1.198 4.862 -8.999
140 HE2 TYR 19 HE1 TYR 19 2.355 6.866 -7.672
141 HH TYR 19 HH TYR 19 0.691 3.779 -8.425
142 H CYS 20 H CYS 20 -4.344 11.273 -8.420
143 HA CYS 20 HA CYS 20 -3.206 13.741 -9.414
144 HB2 CYS 20 1HB CYS 20 -6.031 13.016 -8.571
145 HB3 CYS 20 2HB CYS 20 -5.578 14.545 -9.326
146 H ASN 21 H ASN 21 -3.083 15.757 -8.406
147 HA ASN 21 HA ASN 21 -2.649 15.597 -5.541
148 HB2 ASN 21 1HB ASN 21 -1.397 17.154 -7.175
149 HB3 ASN 21 2HB ASN 21 -2.827 18.195 -7.112
150 HD21 ASN 21 2HD2 ASN 21 -2.671 19.778 -5.645
151 HD22 ASN 21 1HD2 ASN 21 -1.815 19.656 -4.132
152 HXT ASN 21 H02 ASN 21 -6.183 17.075 -5.914
153 H1 PHE 1 3H0 PHE 1 -9.759 0.434 -21.439
154 H2 PHE 1 2H0 PHE 1 -9.776 2.061 -21.718
155 H3 PHE 1 1H0 PHE 1 -9.187 1.030 -22.863
156 HA PHE 1 HA PHE 1 -7.367 2.126 -21.761
157 HB2 PHE 1 1HB PHE 1 -8.810 2.376 -19.644
158 HB3 PHE 1 2HB PHE 1 -8.339 0.719 -19.254
159 HD1 PHE 1 HD2 PHE 1 -7.201 4.218 -19.562
160 HD2 PHE 1 HD1 PHE 1 -6.021 0.189 -18.584
161 HE1 PHE 1 HE2 PHE 1 -5.109 5.086 -18.532
162 HE2 PHE 1 HE1 PHE 1 -3.929 1.055 -17.544
163 HZ PHE 1 HZ PHE 1 -3.466 3.509 -17.525
164 H VAL 2 H VAL 2 -5.538 0.957 -22.310
165 HA VAL 2 HA VAL 2 -5.859 -1.965 -22.522
166 HB VAL 2 HB VAL 2 -4.794 -0.586 -24.371
167 HG11 VAL 2 1HG1 VAL 2 -3.528 1.015 -22.932
168 HG12 VAL 2 2HG1 VAL 2 -2.431 -0.307 -22.470
169 HG13 VAL 2 3HG1 VAL 2 -2.511 0.234 -24.161
170 HG21 VAL 2 3HG2 VAL 2 -3.009 -2.165 -24.871
171 HG22 VAL 2 1HG2 VAL 2 -2.932 -2.678 -23.170
172 HG23 VAL 2 2HG2 VAL 2 -4.381 -3.027 -24.148
173 H ASN 3 H ASN 3 -4.655 -3.466 -21.299
174 HA ASN 3 HA ASN 3 -3.732 -2.401 -18.737
175 HB2 ASN 3 1HB ASN 3 -3.330 -4.677 -18.065
176 HB3 ASN 3 2HB ASN 3 -4.960 -4.557 -18.761
177 HD21 ASN 3 2HD2 ASN 3 -5.312 -5.502 -20.848
178 HD22 ASN 3 1HD2 ASN 3 -4.230 -6.737 -21.444
179 H GLN 4 H GLN 4 -1.751 -2.091 -18.076
180 HA GLN 4 HA GLN 4 0.462 -3.616 -19.114
181 HB2 GLN 4 1HB GLN 4 1.855 -1.589 -19.673
182 HB3 GLN 4 2HB GLN 4 0.574 -1.902 -20.846
183 HG2 GLN 4 1HG GLN 4 -0.809 -0.144 -19.818
184 HG3 GLN 4 2HG GLN 4 0.470 0.181 -18.649
185 HE21 GLN 4 2HE2 GLN 4 -0.690 0.703 -21.842
186 HE22 GLN 4 1HE2 GLN 4 0.606 1.748 -22.372
187 H HIS 5 H HIS 5 2.093 -3.534 -17.510
188 HA HIS 5 HA HIS 5 1.315 -2.426 -14.923
189 HB2 HIS 5 1HB HIS 5 3.989 -3.528 -15.881
190 HB3 HIS 5 2HB HIS 5 3.572 -3.136 -14.208
191 HD1 HIS 5 HD1 HIS 5 0.950 -4.403 -13.714
192 HD2 HIS 5 HD2 HIS 5 3.811 -6.254 -16.065
193 HE1 HIS 5 HE1 HIS 5 0.346 -6.885 -13.824
194 HE2 HIS 5 HE2 HIS 5 2.138 -7.992 -15.216
195 H LEU 6 H LEU 6 2.060 -0.562 -13.943
196 HA LEU 6 HA LEU 6 3.481 1.346 -15.769
197 HB2 LEU 6 1HB LEU 6 1.227 1.653 -13.785
198 HB3 LEU 6 2HB LEU 6 2.279 2.989 -14.136
199 HG LEU 6 HG LEU 6 0.735 3.602 -15.544
200 HD11 LEU 6 1HD1 LEU 6 1.772 1.359 -17.300
201 HD12 LEU 6 2HD1 LEU 6 2.448 2.996 -17.159
202 HD13 LEU 6 3HD1 LEU 6 0.836 2.766 -17.845
203 HD21 LEU 6 3HD2 LEU 6 -0.245 0.763 -15.804
204 HD22 LEU 6 1HD2 LEU 6 -1.046 2.219 -16.438
205 HD23 LEU 6 2HD2 LEU 6 -0.868 1.999 -14.687
206 H CYS 7 H CYS 7 5.538 1.355 -15.114
207 HA CYS 7 HA CYS 7 6.023 2.022 -12.258
208 HB2 CYS 7 1HB CYS 7 6.323 -0.514 -12.958
209 HB3 CYS 7 2HB CYS 7 7.825 0.070 -13.684
210 H GLY 8 H GLY 8 8.012 3.219 -11.970
211 HA2 GLY 8 1HA GLY 8 9.604 4.760 -12.638
212 HA3 GLY 8 2HA GLY 8 9.824 3.760 -14.087
213 H SER 9 H SER 9 9.962 5.342 -15.628
214 HA SER 9 HA SER 9 8.383 7.664 -15.752
215 HB2 SER 9 1HB SER 9 9.393 6.199 -18.194
216 HB3 SER 9 2HB SER 9 9.304 7.951 -17.898
217 HG SER 9 HG SER 9 11.417 7.344 -17.577
218 H HIS 10 H HIS 10 7.578 4.364 -16.814
219 HA HIS 10 HA HIS 10 5.475 5.094 -18.616
220 HB2 HIS 10 1HB HIS 10 6.357 2.650 -17.227
221 HB3 HIS 10 2HB HIS 10 4.617 2.721 -17.496
222 HD1 HIS 10 HD1 HIS 10 3.766 2.097 -19.823
223 HD2 HIS 10 HD2 HIS 10 7.886 2.918 -19.722
224 HE1 HIS 10 HE1 HIS 10 4.692 1.556 -22.126
225 HE2 HIS 10 HE2 HIS 10 7.171 2.061 -22.057
226 H LEU 11 H LEU 11 5.569 4.778 -15.080
227 HA LEU 11 HA LEU 11 2.712 4.899 -14.727
228 HB2 LEU 11 1HB LEU 11 4.283 4.106 -12.994
229 HB3 LEU 11 2HB LEU 11 5.003 5.705 -12.904
230 HG LEU 11 HG LEU 11 2.978 6.632 -11.932
231 HD11 LEU 11 1HD1 LEU 11 1.131 5.190 -11.201
232 HD12 LEU 11 2HD1 LEU 11 1.862 3.806 -12.047
233 HD13 LEU 11 3HD1 LEU 11 1.262 5.212 -12.967
234 HD21 LEU 11 3HD2 LEU 11 4.756 5.566 -10.560
235 HD22 LEU 11 1HD2 LEU 11 3.823 4.050 -10.565
236 HD23 LEU 11 2HD2 LEU 11 3.162 5.510 -9.791
237 H VAL 12 H VAL 12 5.307 7.343 -14.741
238 HA VAL 12 HA VAL 12 3.618 9.561 -14.154
239 HB VAL 12 HB VAL 12 6.238 9.471 -15.727
240 HG11 VAL 12 1HG1 VAL 12 6.506 11.809 -15.031
241 HG12 VAL 12 2HG1 VAL 12 5.035 11.597 -16.003
242 HG13 VAL 12 3HG1 VAL 12 4.915 11.764 -14.237
243 HG21 VAL 12 3HG2 VAL 12 5.690 9.774 -12.741
244 HG22 VAL 12 1HG2 VAL 12 6.542 8.432 -13.543
245 HG23 VAL 12 2HG2 VAL 12 7.272 10.046 -13.509
246 H GLU 13 H GLU 13 4.667 8.103 -17.249
247 HA GLU 13 HA GLU 13 3.486 10.075 -18.950
248 HB2 GLU 13 1HB GLU 13 4.115 7.130 -19.332
249 HB3 GLU 13 2HB GLU 13 3.503 8.154 -20.635
250 HG2 GLU 13 1HG GLU 13 5.461 9.529 -20.603
251 HG3 GLU 13 2HG GLU 13 6.037 8.798 -19.103
252 HE2 GLU 13 HE2 GLU 13 6.325 8.865 -22.187
253 H ALA 14 H ALA 14 2.184 7.146 -17.391
254 HA ALA 14 HA ALA 14 -0.299 7.209 -18.881
255 HB1 ALA 14 3HB ALA 14 -1.051 5.599 -17.174
256 HB2 ALA 14 1HB ALA 14 0.565 5.178 -17.794
257 HB3 ALA 14 2HB ALA 14 0.400 5.950 -16.201
258 H LEU 15 H LEU 15 0.827 8.492 -15.750
259 HA LEU 15 HA LEU 15 -1.733 9.301 -14.820
260 HB2 LEU 15 1HB LEU 15 1.084 10.195 -14.202
261 HB3 LEU 15 2HB LEU 15 -0.316 10.921 -13.417
262 HG LEU 15 HG LEU 15 0.323 7.966 -13.302
263 HD11 LEU 15 1HD1 LEU 15 2.042 9.333 -12.168
264 HD12 LEU 15 2HD1 LEU 15 1.096 8.325 -11.056
265 HD13 LEU 15 3HD1 LEU 15 0.759 10.064 -11.177
266 HD21 LEU 15 3HD2 LEU 15 -1.697 9.703 -11.906
267 HD22 LEU 15 1HD2 LEU 15 -1.321 8.023 -11.462
268 HD23 LEU 15 2HD2 LEU 15 -2.013 8.375 -13.042
269 H TYR 16 H TYR 16 0.561 10.971 -16.956
270 HA TYR 16 HA TYR 16 -0.687 13.532 -16.862
271 HB2 TYR 16 1HB TYR 16 0.873 12.026 -18.963
272 HB3 TYR 16 2HB TYR 16 0.052 13.529 -19.392
273 HD1 TYR 16 HD2 TYR 16 0.517 15.619 -17.881
274 HD2 TYR 16 HD1 TYR 16 3.063 12.153 -18.030
275 HE1 TYR 16 HE2 TYR 16 2.410 16.963 -16.965
276 HE2 TYR 16 HE1 TYR 16 4.960 13.521 -17.147
277 HH TYR 16 HH TYR 16 5.642 15.574 -16.403
278 H LEU 17 H LEU 17 -1.459 10.623 -18.806
279 HA LEU 17 HA LEU 17 -3.601 11.938 -20.228
280 HB2 LEU 17 1HB LEU 17 -3.126 8.994 -19.690
281 HB3 LEU 17 2HB LEU 17 -4.258 9.670 -20.850
282 HG LEU 17 HG LEU 17 -1.242 10.012 -21.002
283 HD11 LEU 17 1HD1 LEU 17 -1.896 7.644 -21.194
284 HD12 LEU 17 2HD1 LEU 17 -1.321 8.282 -22.748
285 HD13 LEU 17 3HD1 LEU 17 -3.065 8.064 -22.472
286 HD21 LEU 17 3HD2 LEU 17 -1.702 10.645 -23.358
287 HD22 LEU 17 1HD2 LEU 17 -2.453 11.768 -22.209
288 HD23 LEU 17 2HD2 LEU 17 -3.449 10.548 -23.035
289 H VAL 18 H VAL 18 -3.499 9.763 -17.397
290 HA VAL 18 HA VAL 18 -6.356 9.458 -17.260
291 HB VAL 18 HB VAL 18 -4.159 8.987 -15.190
292 HG11 VAL 18 1HG1 VAL 18 -7.105 8.276 -15.132
293 HG12 VAL 18 2HG1 VAL 18 -5.883 7.502 -14.104
294 HG13 VAL 18 3HG1 VAL 18 -6.172 9.233 -13.955
295 HG21 VAL 18 3HG2 VAL 18 -5.688 7.108 -17.022
296 HG22 VAL 18 1HG2 VAL 18 -3.988 7.591 -17.184
297 HG23 VAL 18 2HG2 VAL 18 -4.500 6.623 -15.792
298 H CYS 19 H CYS 19 -4.060 11.617 -15.621
299 HA CYS 19 HA CYS 19 -6.278 12.769 -14.055
300 HB2 CYS 19 1HB CYS 19 -3.806 12.373 -13.292
301 HB3 CYS 19 2HB CYS 19 -3.503 13.910 -14.121
302 H GLY 20 H GLY 20 -4.538 13.448 -17.054
303 HA2 GLY 20 1HA GLY 20 -4.875 15.161 -18.561
304 HA3 GLY 20 2HA GLY 20 -6.350 15.590 -17.675
305 H GLU 21 H GLU 21 -5.953 17.802 -17.895
306 HA GLU 21 HA GLU 21 -3.504 19.075 -17.137
307 HB2 GLU 21 1HB GLU 21 -6.341 20.127 -17.405
308 HB3 GLU 21 2HB GLU 21 -4.915 21.151 -17.183
309 HG2 GLU 21 1HG GLU 21 -3.970 20.308 -19.296
310 HG3 GLU 21 2HG GLU 21 -5.394 19.284 -19.530
311 HE2 GLU 21 HE2 GLU 21 -5.451 22.889 -20.785
312 H ARG 22 H ARG 22 -5.759 17.621 -15.062
313 HA ARG 22 HA ARG 22 -5.942 19.620 -12.996
314 HB2 ARG 22 1HB ARG 22 -6.222 16.604 -12.945
315 HB3 ARG 22 2HB ARG 22 -6.538 17.634 -11.547
316 HG2 ARG 22 1HG ARG 22 -8.328 18.779 -12.724
317 HG3 ARG 22 2HG ARG 22 -7.990 17.871 -14.208
318 HD2 ARG 22 1HD ARG 22 -8.778 16.557 -11.585
319 HD3 ARG 22 2HD ARG 22 -9.943 17.029 -12.839
320 HE ARG 22 HE ARG 22 -7.903 15.467 -14.058
321 HH11 ARG 22 1HH1 ARG 22 -10.577 14.996 -11.784
322 HH12 ARG 22 2HH1 ARG 22 -10.815 13.337 -12.273
323 HH21 ARG 22 1HH2 ARG 22 -8.288 13.367 -14.632
324 HH22 ARG 22 2HH2 ARG 22 -9.547 12.438 -13.855
325 H GLY 23 H GLY 23 -3.404 17.383 -13.850
326 HA2 GLY 23 1HA GLY 23 -1.218 17.454 -13.047
327 HA3 GLY 23 2HA GLY 23 -1.717 18.580 -11.780
328 H PHE 24 H PHE 24 0.044 16.310 -11.510
329 HA PHE 24 HA PHE 24 -1.390 14.795 -9.428
330 HB2 PHE 24 1HB PHE 24 -0.830 12.643 -10.420
331 HB3 PHE 24 2HB PHE 24 -1.816 13.566 -11.553
332 HD1 PHE 24 HD2 PHE 24 1.538 12.248 -10.826
333 HD2 PHE 24 HD1 PHE 24 -0.878 14.395 -13.651
334 HE1 PHE 24 HE2 PHE 24 3.291 11.949 -12.518
335 HE2 PHE 24 HE1 PHE 24 0.885 14.104 -15.374
336 HZ PHE 24 HZ PHE 24 2.976 12.870 -14.830
337 H PHE 25 H PHE 25 0.278 13.153 -8.483
338 HA PHE 25 HA PHE 25 2.998 14.395 -8.518
339 HB2 PHE 25 1HB PHE 25 3.145 13.920 -6.091
340 HB3 PHE 25 2HB PHE 25 1.891 15.104 -6.467
341 HD1 PHE 25 HD2 PHE 25 2.451 11.506 -5.590
342 HD2 PHE 25 HD1 PHE 25 -0.379 14.739 -5.851
343 HE1 PHE 25 HE2 PHE 25 0.764 10.121 -4.397
344 HE2 PHE 25 HE1 PHE 25 -2.071 13.359 -4.654
345 HZ PHE 25 HZ PHE 25 -1.503 11.043 -3.932
346 H TYR 26 H TYR 26 4.662 12.870 -7.696
347 HA TYR 26 HA TYR 26 3.964 9.998 -7.895
348 HB2 TYR 26 1HB TYR 26 4.580 10.489 -10.187
349 HB3 TYR 26 2HB TYR 26 5.967 11.458 -9.662
350 HD1 TYR 26 HD2 TYR 26 4.698 7.962 -8.923
351 HD2 TYR 26 HD1 TYR 26 8.026 10.447 -10.057
352 HE1 TYR 26 HE2 TYR 26 6.191 5.972 -8.947
353 HE2 TYR 26 HE1 TYR 26 9.494 8.435 -10.129
354 HH TYR 26 HH TYR 26 9.645 6.187 -9.824
355 H THR 27 H THR 27 5.289 8.797 -6.559
356 HA THR 27 HA THR 27 7.234 10.364 -4.940
357 HB THR 27 HB THR 27 6.807 8.395 -3.294
358 HG1 THR 27 HG1 THR 27 4.569 7.650 -3.648
359 HG21 THR 27 1HG2 THR 27 4.837 9.524 -2.372
360 HG22 THR 27 2HG2 THR 27 4.530 10.329 -3.927
361 HG23 THR 27 3HG2 THR 27 5.982 10.739 -2.980
362 HA PRO 28 HA PRO 28 9.855 7.345 -7.142
363 HB2 PRO 28 1HB PRO 28 12.137 8.815 -7.248
364 HB3 PRO 28 2HB PRO 28 10.761 9.161 -8.343
365 HG2 PRO 28 1HG PRO 28 11.473 10.477 -5.735
366 HG3 PRO 28 2HG PRO 28 11.145 11.236 -7.326
367 HD2 PRO 28 1HD PRO 28 9.235 11.027 -5.417
368 HD3 PRO 28 2HD PRO 28 8.844 10.854 -7.164
369 H LYS 29 H LYS 29 12.043 6.390 -6.489
370 HA LYS 29 HA LYS 29 12.504 6.670 -3.549
371 HB2 LYS 29 1HB LYS 29 13.292 4.297 -3.584
372 HB3 LYS 29 2HB LYS 29 11.557 4.503 -3.803
373 HG2 LYS 29 1HG LYS 29 11.548 3.556 -5.864
374 HG3 LYS 29 2HG LYS 29 13.059 4.317 -6.362
375 HD2 LYS 29 1HD LYS 29 13.416 2.263 -4.254
376 HD3 LYS 29 2HD LYS 29 12.724 1.639 -5.754
377 HE2 LYS 29 1HE LYS 29 15.103 1.399 -5.933
378 HE3 LYS 29 2HE LYS 29 14.623 2.702 -7.029
379 HZ1 LYS 29 3HZ LYS 29 15.450 4.306 -5.450
380 HZ2 LYS 29 1HZ LYS 29 16.640 3.207 -5.743
381 HZ3 LYS 29 2HZ LYS 29 15.794 3.138 -4.333
382 H THR 30 H THR 30 14.385 7.623 -3.181
383 HA THR 30 HA THR 30 16.468 7.545 -5.282
384 HB THR 30 HB THR 30 17.678 9.149 -3.750
385 HG1 THR 30 HG1 THR 30 16.270 9.950 -2.001
386 HG21 THR 30 1HG2 THR 30 14.728 9.903 -4.314
387 HG22 THR 30 2HG2 THR 30 16.035 9.986 -5.509
388 HG23 THR 30 3HG2 THR 30 16.076 11.032 -4.085
389 HXT THR 30 H02 THR 30 16.890 7.398 -2.015
Start of MODEL 34
1 H1 GLY 1 3H0 GLY 1 4.846 -0.297 -0.251
2 H2 GLY 1 2H0 GLY 1 3.343 -0.449 -0.919
3 H3 GLY 1 1H0 GLY 1 4.681 -0.508 -1.882
4 HA2 GLY 1 1HA GLY 1 3.796 1.840 -0.345
5 HA3 GLY 1 2HA GLY 1 5.216 1.767 -1.410
6 H ILE 2 H ILE 2 3.423 3.732 -1.973
7 HA ILE 2 HA ILE 2 1.169 2.919 -3.466
8 HB ILE 2 HB ILE 2 1.609 5.174 -2.377
9 HG12 ILE 2 1HG1 ILE 2 0.664 5.234 -5.250
10 HG13 ILE 2 2HG1 ILE 2 -0.290 4.648 -3.892
11 HG21 ILE 2 1HG2 ILE 2 3.906 5.529 -3.439
12 HG22 ILE 2 2HG2 ILE 2 3.072 5.880 -4.972
13 HG23 ILE 2 3HG2 ILE 2 2.812 6.917 -3.554
14 HD11 ILE 2 3HD1 ILE 2 -0.155 6.950 -2.869
15 HD12 ILE 2 1HD1 ILE 2 0.670 7.511 -4.346
16 HD13 ILE 2 2HD1 ILE 2 -0.997 6.905 -4.434
17 H VAL 3 H VAL 3 4.508 3.501 -4.606
18 HA VAL 3 HA VAL 3 3.743 3.501 -7.381
19 HB VAL 3 HB VAL 3 5.810 4.575 -6.559
20 HG11 VAL 3 1HG1 VAL 3 7.784 3.290 -5.921
21 HG12 VAL 3 2HG1 VAL 3 6.442 2.943 -4.817
22 HG13 VAL 3 3HG1 VAL 3 6.884 1.767 -6.083
23 HG21 VAL 3 3HG2 VAL 3 6.458 2.340 -8.522
24 HG22 VAL 3 1HG2 VAL 3 5.621 3.854 -8.935
25 HG23 VAL 3 2HG2 VAL 3 7.297 3.898 -8.351
26 H GLU 4 H GLU 4 4.381 0.928 -5.074
27 HA GLU 4 HA GLU 4 4.932 -1.103 -7.063
28 HB2 GLU 4 1HB GLU 4 4.124 -1.225 -4.145
29 HB3 GLU 4 2HB GLU 4 4.261 -2.668 -5.145
30 HG2 GLU 4 1HG GLU 4 6.327 -2.533 -4.039
31 HG3 GLU 4 2HG GLU 4 6.648 -1.952 -5.680
32 HE2 GLU 4 HE2 GLU 4 8.306 -0.959 -5.005
33 H GLN 5 H GLN 5 2.032 0.299 -5.651
34 HA GLN 5 HA GLN 5 0.175 -1.756 -6.153
35 HB2 GLN 5 1HB GLN 5 -0.169 0.430 -4.909
36 HB3 GLN 5 2HB GLN 5 -0.257 1.235 -6.472
37 HG2 GLN 5 1HG GLN 5 -2.492 0.928 -5.721
38 HG3 GLN 5 2HG GLN 5 -2.239 -0.209 -7.048
39 HE21 GLN 5 2HE2 GLN 5 -4.237 -1.089 -5.950
40 HE22 GLN 5 1HE2 GLN 5 -3.968 -2.278 -4.689
41 H CYS 6 H CYS 6 1.562 0.679 -8.338
42 HA CYS 6 HA CYS 6 -0.121 -0.415 -10.547
43 HB2 CYS 6 1HB CYS 6 1.547 2.088 -10.257
44 HB3 CYS 6 2HB CYS 6 0.882 1.548 -11.802
45 H CYS 7 H CYS 7 3.017 -0.769 -9.276
46 HA CYS 7 HA CYS 7 4.199 -1.306 -11.925
47 HB2 CYS 7 1HB CYS 7 5.424 0.050 -10.295
48 HB3 CYS 7 2HB CYS 7 5.411 -1.291 -9.149
49 H THR 8 H THR 8 3.568 -3.105 -8.846
50 HA THR 8 HA THR 8 4.848 -5.480 -9.921
51 HB THR 8 HB THR 8 4.623 -4.824 -7.424
52 HG1 THR 8 HG1 THR 8 4.047 -7.436 -8.402
53 HG21 THR 8 1HG2 THR 8 2.722 -5.633 -6.213
54 HG22 THR 8 2HG2 THR 8 2.022 -6.382 -7.660
55 HG23 THR 8 3HG2 THR 8 2.078 -4.610 -7.512
56 H SER 9 H SER 9 1.706 -4.113 -10.189
57 HA SER 9 HA SER 9 0.915 -6.386 -11.866
58 HB2 SER 9 1HB SER 9 0.072 -6.885 -9.469
59 HB3 SER 9 2HB SER 9 -0.951 -5.438 -9.615
60 HG SER 9 HG SER 9 -1.934 -7.512 -10.229
61 H ILE 10 H ILE 10 -1.748 -5.495 -12.291
62 HA ILE 10 HA ILE 10 -1.029 -2.942 -13.662
63 HB ILE 10 HB ILE 10 -3.114 -5.001 -14.458
64 HG12 ILE 10 1HG1 ILE 10 -0.270 -4.463 -15.391
65 HG13 ILE 10 2HG1 ILE 10 -0.854 -5.905 -14.560
66 HG21 ILE 10 1HG2 ILE 10 -3.281 -3.725 -16.531
67 HG22 ILE 10 2HG2 ILE 10 -3.533 -2.599 -15.196
68 HG23 ILE 10 3HG2 ILE 10 -1.965 -2.637 -16.031
69 HD11 ILE 10 3HD1 ILE 10 -0.608 -6.574 -16.713
70 HD12 ILE 10 1HD1 ILE 10 -2.352 -6.249 -16.581
71 HD13 ILE 10 2HD1 ILE 10 -1.271 -5.068 -17.368
72 H CYS 11 H CYS 11 -1.704 -1.328 -12.344
73 HA CYS 11 HA CYS 11 -4.254 -1.527 -10.937
74 HB2 CYS 11 1HB CYS 11 -3.766 0.684 -10.129
75 HB3 CYS 11 2HB CYS 11 -2.286 -0.267 -10.042
76 H SER 12 H SER 12 -6.109 -0.234 -11.428
77 HA SER 12 HA SER 12 -6.494 0.082 -14.325
78 HB2 SER 12 1HB SER 12 -8.859 0.388 -13.678
79 HB3 SER 12 2HB SER 12 -8.171 -1.074 -12.938
80 HG SER 12 HG SER 12 -9.139 -0.081 -11.276
81 H LEU 13 H LEU 13 -7.802 2.055 -15.053
82 HA LEU 13 HA LEU 13 -6.384 4.443 -14.479
83 HB2 LEU 13 1HB LEU 13 -7.976 5.568 -15.846
84 HB3 LEU 13 2HB LEU 13 -7.625 4.002 -16.557
85 HG LEU 13 HG LEU 13 -9.879 3.364 -15.185
86 HD11 LEU 13 1HD1 LEU 13 -10.257 5.661 -14.360
87 HD12 LEU 13 2HD1 LEU 13 -11.522 5.195 -15.513
88 HD13 LEU 13 3HD1 LEU 13 -10.213 6.281 -16.029
89 HD21 LEU 13 3HD2 LEU 13 -9.414 2.942 -17.562
90 HD22 LEU 13 1HD2 LEU 13 -9.739 4.653 -17.939
91 HD23 LEU 13 2HD2 LEU 13 -11.046 3.605 -17.337
92 H TYR 14 H TYR 14 -9.169 2.988 -12.923
93 HA TYR 14 HA TYR 14 -10.090 5.333 -11.551
94 HB2 TYR 14 1HB TYR 14 -10.278 2.461 -10.607
95 HB3 TYR 14 2HB TYR 14 -11.376 3.792 -10.241
96 HD1 TYR 14 HD2 TYR 14 -12.600 4.863 -12.367
97 HD2 TYR 14 HD1 TYR 14 -10.776 0.968 -12.321
98 HE1 TYR 14 HE2 TYR 14 -13.950 4.202 -14.362
99 HE2 TYR 14 HE1 TYR 14 -12.113 0.322 -14.333
100 HH TYR 14 HH TYR 14 -14.453 2.536 -15.855
101 H GLN 15 H GLN 15 -7.684 2.826 -10.858
102 HA GLN 15 HA GLN 15 -7.133 3.714 -8.149
103 HB2 GLN 15 1HB GLN 15 -5.469 2.115 -10.127
104 HB3 GLN 15 2HB GLN 15 -5.075 2.330 -8.424
105 HG2 GLN 15 1HG GLN 15 -7.795 1.248 -8.961
106 HG3 GLN 15 2HG GLN 15 -6.451 0.207 -9.448
107 HE21 GLN 15 2HE2 GLN 15 -8.416 1.136 -6.878
108 HE22 GLN 15 1HE2 GLN 15 -7.463 0.452 -5.586
109 H LEU 16 H LEU 16 -5.847 4.370 -11.396
110 HA LEU 16 HA LEU 16 -3.634 5.968 -10.606
111 HB2 LEU 16 1HB LEU 16 -5.272 5.907 -13.142
112 HB3 LEU 16 2HB LEU 16 -3.858 6.936 -12.942
113 HG LEU 16 HG LEU 16 -3.802 3.912 -12.665
114 HD11 LEU 16 1HD1 LEU 16 -4.371 4.575 -14.977
115 HD12 LEU 16 2HD1 LEU 16 -2.758 3.858 -14.868
116 HD13 LEU 16 3HD1 LEU 16 -2.934 5.622 -15.024
117 HD21 LEU 16 3HD2 LEU 16 -1.580 5.970 -12.937
118 HD22 LEU 16 1HD2 LEU 16 -1.366 4.208 -12.905
119 HD23 LEU 16 2HD2 LEU 16 -1.979 5.043 -11.472
120 H GLU 17 H GLU 17 -7.059 6.820 -10.955
121 HA GLU 17 HA GLU 17 -6.814 9.642 -11.006
122 HB2 GLU 17 1HB GLU 17 -8.874 7.781 -9.817
123 HB3 GLU 17 2HB GLU 17 -9.055 9.527 -9.724
124 HG2 GLU 17 1HG GLU 17 -8.629 8.133 -12.372
125 HG3 GLU 17 2HG GLU 17 -10.230 8.261 -11.643
126 HE2 GLU 17 HE2 GLU 17 -8.926 9.347 -13.910
127 H ASN 18 H ASN 18 -6.309 7.431 -8.292
128 HA ASN 18 HA ASN 18 -6.593 9.373 -6.196
129 HB2 ASN 18 1HB ASN 18 -4.986 6.798 -6.323
130 HB3 ASN 18 2HB ASN 18 -5.252 7.747 -4.855
131 HD21 ASN 18 2HD2 ASN 18 -6.271 5.122 -6.484
132 HD22 ASN 18 1HD2 ASN 18 -7.917 5.035 -5.891
133 H TYR 19 H TYR 19 -4.012 8.728 -8.455
134 HA TYR 19 HA TYR 19 -1.870 9.842 -6.809
135 HB2 TYR 19 1HB TYR 19 -2.101 9.130 -9.722
136 HB3 TYR 19 2HB TYR 19 -0.606 9.679 -8.979
137 HD1 TYR 19 HD2 TYR 19 -3.211 6.972 -8.713
138 HD2 TYR 19 HD1 TYR 19 0.872 8.115 -8.030
139 HE1 TYR 19 HE2 TYR 19 -2.679 4.653 -8.088
140 HE2 TYR 19 HE1 TYR 19 1.403 5.769 -7.414
141 HH TYR 19 HH TYR 19 0.526 3.617 -7.001
142 H CYS 20 H CYS 20 -4.438 11.213 -8.571
143 HA CYS 20 HA CYS 20 -2.988 13.299 -9.943
144 HB2 CYS 20 1HB CYS 20 -5.929 13.140 -9.226
145 HB3 CYS 20 2HB CYS 20 -5.198 14.245 -10.396
146 H ASN 21 H ASN 21 -2.964 15.492 -9.542
147 HA ASN 21 HA ASN 21 -2.913 16.175 -6.658
148 HB2 ASN 21 1HB ASN 21 -0.978 16.671 -8.296
149 HB3 ASN 21 2HB ASN 21 -1.972 17.980 -8.933
150 HD21 ASN 21 2HD2 ASN 21 -2.770 19.608 -7.301
151 HD22 ASN 21 1HD2 ASN 21 -1.707 19.957 -5.967
152 HXT ASN 21 H02 ASN 21 -4.055 17.671 -9.447
153 H1 PHE 1 3H0 PHE 1 -8.281 1.319 -23.625
154 H2 PHE 1 2H0 PHE 1 -9.039 0.636 -22.329
155 H3 PHE 1 1H0 PHE 1 -9.035 2.276 -22.513
156 HA PHE 1 HA PHE 1 -6.645 2.356 -22.219
157 HB2 PHE 1 1HB PHE 1 -8.354 2.488 -20.309
158 HB3 PHE 1 2HB PHE 1 -7.959 0.802 -19.962
159 HD1 PHE 1 HD2 PHE 1 -5.746 0.188 -19.040
160 HD2 PHE 1 HD1 PHE 1 -6.789 4.293 -19.834
161 HE1 PHE 1 HE2 PHE 1 -3.816 0.943 -17.656
162 HE2 PHE 1 HE1 PHE 1 -4.866 5.055 -18.445
163 HZ PHE 1 HZ PHE 1 -3.367 3.383 -17.367
164 H VAL 2 H VAL 2 -4.776 1.226 -22.669
165 HA VAL 2 HA VAL 2 -5.018 -1.689 -23.001
166 HB VAL 2 HB VAL 2 -3.822 -0.271 -24.710
167 HG11 VAL 2 1HG1 VAL 2 -1.655 0.060 -22.596
168 HG12 VAL 2 2HG1 VAL 2 -1.604 0.631 -24.277
169 HG13 VAL 2 3HG1 VAL 2 -2.755 1.349 -23.135
170 HG21 VAL 2 3HG2 VAL 2 -3.343 -2.695 -24.483
171 HG22 VAL 2 1HG2 VAL 2 -1.934 -1.777 -25.046
172 HG23 VAL 2 2HG2 VAL 2 -2.015 -2.317 -23.355
173 H ASN 3 H ASN 3 -3.999 -3.220 -21.685
174 HA ASN 3 HA ASN 3 -3.277 -2.220 -19.030
175 HB2 ASN 3 1HB ASN 3 -3.019 -4.541 -18.399
176 HB3 ASN 3 2HB ASN 3 -4.589 -4.310 -19.191
177 HD21 ASN 3 2HD2 ASN 3 -4.905 -5.237 -21.248
178 HD22 ASN 3 1HD2 ASN 3 -3.837 -6.482 -21.851
179 H GLN 4 H GLN 4 -1.339 -2.105 -18.152
180 HA GLN 4 HA GLN 4 0.932 -3.566 -19.193
181 HB2 GLN 4 1HB GLN 4 2.333 -1.493 -19.514
182 HB3 GLN 4 2HB GLN 4 1.105 -1.727 -20.764
183 HG2 GLN 4 1HG GLN 4 -0.357 -0.098 -19.608
184 HG3 GLN 4 2HG GLN 4 0.918 0.181 -18.427
185 HE21 GLN 4 2HE2 GLN 4 -0.437 1.215 -21.291
186 HE22 GLN 4 1HE2 GLN 4 0.886 2.203 -21.862
187 H HIS 5 H HIS 5 2.431 -3.720 -17.514
188 HA HIS 5 HA HIS 5 1.705 -2.689 -14.873
189 HB2 HIS 5 1HB HIS 5 4.338 -3.828 -15.921
190 HB3 HIS 5 2HB HIS 5 4.021 -3.400 -14.237
191 HD1 HIS 5 HD1 HIS 5 1.499 -4.657 -13.457
192 HD2 HIS 5 HD2 HIS 5 4.046 -6.526 -16.119
193 HE1 HIS 5 HE1 HIS 5 0.880 -7.148 -13.495
194 HE2 HIS 5 HE2 HIS 5 2.473 -8.251 -15.094
195 H LEU 6 H LEU 6 2.493 -0.814 -13.883
196 HA LEU 6 HA LEU 6 3.896 1.070 -15.754
197 HB2 LEU 6 1HB LEU 6 1.743 1.532 -13.679
198 HB3 LEU 6 2HB LEU 6 2.600 2.813 -14.507
199 HG LEU 6 HG LEU 6 0.895 0.762 -15.932
200 HD11 LEU 6 1HD1 LEU 6 0.197 3.578 -15.025
201 HD12 LEU 6 2HD1 LEU 6 -0.470 2.063 -14.368
202 HD13 LEU 6 3HD1 LEU 6 -0.814 2.527 -16.044
203 HD21 LEU 6 3HD2 LEU 6 0.932 2.491 -17.738
204 HD22 LEU 6 1HD2 LEU 6 2.530 1.807 -17.399
205 HD23 LEU 6 2HD2 LEU 6 2.098 3.419 -16.783
206 H CYS 7 H CYS 7 5.947 1.134 -15.066
207 HA CYS 7 HA CYS 7 6.401 1.754 -12.175
208 HB2 CYS 7 1HB CYS 7 8.305 0.294 -14.032
209 HB3 CYS 7 2HB CYS 7 8.448 0.474 -12.282
210 H GLY 8 H GLY 8 7.915 3.425 -11.768
211 HA2 GLY 8 1HA GLY 8 9.198 5.281 -12.255
212 HA3 GLY 8 2HA GLY 8 9.826 4.332 -13.608
213 H SER 9 H SER 9 9.894 5.662 -15.293
214 HA SER 9 HA SER 9 8.205 7.856 -15.761
215 HB2 SER 9 1HB SER 9 9.174 6.766 -18.233
216 HB3 SER 9 2HB SER 9 9.788 8.157 -17.305
217 HG SER 9 HG SER 9 11.415 6.619 -17.443
218 H HIS 10 H HIS 10 7.635 4.433 -16.562
219 HA HIS 10 HA HIS 10 5.633 4.931 -18.583
220 HB2 HIS 10 1HB HIS 10 6.448 2.637 -16.881
221 HB3 HIS 10 2HB HIS 10 4.756 2.641 -17.370
222 HD1 HIS 10 HD1 HIS 10 4.185 1.904 -19.747
223 HD2 HIS 10 HD2 HIS 10 8.297 2.572 -19.149
224 HE1 HIS 10 HE1 HIS 10 5.385 1.088 -21.828
225 HE2 HIS 10 HE2 HIS 10 7.859 1.496 -21.461
226 H LEU 11 H LEU 11 5.524 4.713 -15.022
227 HA LEU 11 HA LEU 11 2.661 4.899 -14.839
228 HB2 LEU 11 1HB LEU 11 4.136 4.073 -13.019
229 HB3 LEU 11 2HB LEU 11 4.829 5.679 -12.851
230 HG LEU 11 HG LEU 11 2.720 6.567 -12.036
231 HD11 LEU 11 1HD1 LEU 11 1.096 5.239 -13.229
232 HD12 LEU 11 2HD1 LEU 11 0.846 5.020 -11.490
233 HD13 LEU 11 3HD1 LEU 11 1.665 3.752 -12.431
234 HD21 LEU 11 3HD2 LEU 11 4.283 5.578 -10.432
235 HD22 LEU 11 1HD2 LEU 11 3.527 3.981 -10.646
236 HD23 LEU 11 2HD2 LEU 11 2.610 5.319 -9.909
237 H VAL 12 H VAL 12 5.310 7.277 -14.760
238 HA VAL 12 HA VAL 12 3.741 9.571 -14.227
239 HB VAL 12 HB VAL 12 6.320 9.255 -15.840
240 HG11 VAL 12 1HG1 VAL 12 5.208 11.409 -16.329
241 HG12 VAL 12 2HG1 VAL 12 5.189 11.773 -14.589
242 HG13 VAL 12 3HG1 VAL 12 6.734 11.616 -15.448
243 HG21 VAL 12 3HG2 VAL 12 6.523 8.452 -13.521
244 HG22 VAL 12 1HG2 VAL 12 7.420 9.967 -13.720
245 HG23 VAL 12 2HG2 VAL 12 5.835 9.972 -12.913
246 H GLU 13 H GLU 13 4.632 8.075 -17.386
247 HA GLU 13 HA GLU 13 3.338 10.105 -18.950
248 HB2 GLU 13 1HB GLU 13 4.117 7.233 -19.523
249 HB3 GLU 13 2HB GLU 13 3.375 8.286 -20.736
250 HG2 GLU 13 1HG GLU 13 5.985 8.853 -19.292
251 HG3 GLU 13 2HG GLU 13 5.832 8.230 -20.940
252 HE2 GLU 13 HE2 GLU 13 5.808 12.002 -20.356
253 H ALA 14 H ALA 14 2.159 7.124 -17.448
254 HA ALA 14 HA ALA 14 -0.350 7.116 -18.898
255 HB1 ALA 14 3HB ALA 14 -1.045 5.498 -17.157
256 HB2 ALA 14 1HB ALA 14 0.559 5.096 -17.817
257 HB3 ALA 14 2HB ALA 14 0.424 5.875 -16.223
258 H LEU 15 H LEU 15 0.823 8.442 -15.817
259 HA LEU 15 HA LEU 15 -1.731 9.259 -14.855
260 HB2 LEU 15 1HB LEU 15 1.115 10.046 -14.246
261 HB3 LEU 15 2HB LEU 15 -0.246 10.848 -13.464
262 HG LEU 15 HG LEU 15 0.174 7.853 -13.355
263 HD11 LEU 15 1HD1 LEU 15 1.034 8.158 -11.103
264 HD12 LEU 15 2HD1 LEU 15 0.870 9.921 -11.240
265 HD13 LEU 15 3HD1 LEU 15 2.052 9.054 -12.249
266 HD21 LEU 15 3HD2 LEU 15 -1.402 8.054 -11.480
267 HD22 LEU 15 1HD2 LEU 15 -2.114 8.589 -13.002
268 HD23 LEU 15 2HD2 LEU 15 -1.560 9.795 -11.822
269 H TYR 16 H TYR 16 0.566 10.883 -17.019
270 HA TYR 16 HA TYR 16 -0.567 13.491 -16.879
271 HB2 TYR 16 1HB TYR 16 0.846 11.920 -19.032
272 HB3 TYR 16 2HB TYR 16 0.044 13.433 -19.455
273 HD1 TYR 16 HD1 TYR 16 0.627 15.536 -17.980
274 HD2 TYR 16 HD2 TYR 16 3.086 12.017 -18.245
275 HE1 TYR 16 HE1 TYR 16 2.602 16.847 -17.196
276 HE2 TYR 16 HE2 TYR 16 5.059 13.346 -17.488
277 HH TYR 16 HH TYR 16 5.829 15.387 -16.805
278 H LEU 17 H LEU 17 -1.552 10.606 -18.744
279 HA LEU 17 HA LEU 17 -3.659 12.002 -20.129
280 HB2 LEU 17 1HB LEU 17 -3.327 9.050 -19.538
281 HB3 LEU 17 2HB LEU 17 -4.458 9.763 -20.677
282 HG LEU 17 HG LEU 17 -1.435 9.941 -20.930
283 HD11 LEU 17 1HD1 LEU 17 -2.213 7.609 -21.053
284 HD12 LEU 17 2HD1 LEU 17 -1.659 8.185 -22.638
285 HD13 LEU 17 3HD1 LEU 17 -3.402 8.063 -22.301
286 HD21 LEU 17 3HD2 LEU 17 -3.677 10.550 -22.904
287 HD22 LEU 17 1HD2 LEU 17 -1.938 10.553 -23.285
288 HD23 LEU 17 2HD2 LEU 17 -2.593 11.734 -22.137
289 H VAL 18 H VAL 18 -3.621 9.898 -17.227
290 HA VAL 18 HA VAL 18 -6.505 9.823 -17.080
291 HB VAL 18 HB VAL 18 -4.411 9.170 -14.944
292 HG11 VAL 18 1HG1 VAL 18 -6.260 7.796 -13.931
293 HG12 VAL 18 2HG1 VAL 18 -6.572 9.537 -13.872
294 HG13 VAL 18 3HG1 VAL 18 -7.393 8.527 -15.089
295 HG21 VAL 18 3HG2 VAL 18 -5.881 7.443 -16.981
296 HG22 VAL 18 1HG2 VAL 18 -4.134 7.758 -16.902
297 HG23 VAL 18 2HG2 VAL 18 -4.917 6.808 -15.634
298 H CYS 19 H CYS 19 -3.995 11.775 -15.451
299 HA CYS 19 HA CYS 19 -6.055 13.100 -13.850
300 HB2 CYS 19 1HB CYS 19 -3.098 13.671 -14.154
301 HB3 CYS 19 2HB CYS 19 -4.180 14.402 -12.957
302 H GLY 20 H GLY 20 -4.489 13.632 -16.957
303 HA2 GLY 20 1HA GLY 20 -4.726 15.382 -18.436
304 HA3 GLY 20 2HA GLY 20 -6.225 15.793 -17.581
305 H GLU 21 H GLU 21 -6.079 17.956 -17.498
306 HA GLU 21 HA GLU 21 -3.664 19.409 -16.988
307 HB2 GLU 21 1HB GLU 21 -6.575 20.257 -16.711
308 HB3 GLU 21 2HB GLU 21 -5.190 21.342 -16.707
309 HG2 GLU 21 1HG GLU 21 -5.903 21.549 -18.890
310 HG3 GLU 21 2HG GLU 21 -4.653 20.309 -19.059
311 HE2 GLU 21 HE2 GLU 21 -6.151 20.392 -20.897
312 H ARG 22 H ARG 22 -5.580 17.666 -14.752
313 HA ARG 22 HA ARG 22 -5.394 19.506 -12.509
314 HB2 ARG 22 1HB ARG 22 -5.777 16.495 -12.616
315 HB3 ARG 22 2HB ARG 22 -5.924 17.473 -11.156
316 HG2 ARG 22 1HG ARG 22 -7.811 18.683 -12.073
317 HG3 ARG 22 2HG ARG 22 -7.655 17.838 -13.625
318 HD2 ARG 22 1HD ARG 22 -8.123 16.416 -10.989
319 HD3 ARG 22 2HD ARG 22 -9.434 16.941 -12.063
320 HE ARG 22 HE ARG 22 -7.695 15.480 -13.687
321 HH11 ARG 22 1HH1 ARG 22 -9.594 14.750 -10.786
322 HH12 ARG 22 2HH1 ARG 22 -9.800 13.073 -11.247
323 HH21 ARG 22 1HH2 ARG 22 -8.065 13.335 -14.204
324 HH22 ARG 22 2HH2 ARG 22 -8.966 12.312 -13.112
325 H GLY 23 H GLY 23 -3.120 17.424 -14.059
326 HA2 GLY 23 1HA GLY 23 -0.895 17.044 -13.536
327 HA3 GLY 23 2HA GLY 23 -1.056 18.157 -12.162
328 H PHE 24 H PHE 24 0.475 16.133 -11.562
329 HA PHE 24 HA PHE 24 -1.041 14.543 -9.643
330 HB2 PHE 24 1HB PHE 24 -0.362 12.376 -10.558
331 HB3 PHE 24 2HB PHE 24 -1.391 13.235 -11.696
332 HD1 PHE 24 HD2 PHE 24 -0.522 14.118 -13.789
333 HD2 PHE 24 HD1 PHE 24 1.975 11.989 -11.021
334 HE1 PHE 24 HE2 PHE 24 1.188 13.841 -15.544
335 HE2 PHE 24 HE1 PHE 24 3.668 11.683 -12.765
336 HZ PHE 24 HZ PHE 24 3.294 12.633 -15.061
337 H PHE 25 H PHE 25 0.679 12.889 -8.701
338 HA PHE 25 HA PHE 25 3.341 14.247 -8.632
339 HB2 PHE 25 1HB PHE 25 3.376 13.754 -6.175
340 HB3 PHE 25 2HB PHE 25 2.186 14.970 -6.648
341 HD1 PHE 25 HD2 PHE 25 2.616 11.456 -5.514
342 HD2 PHE 25 HD1 PHE 25 -0.180 14.608 -6.395
343 HE1 PHE 25 HE2 PHE 25 0.799 10.143 -4.430
344 HE2 PHE 25 HE1 PHE 25 -2.005 13.304 -5.330
345 HZ PHE 25 HZ PHE 25 -1.514 11.059 -4.337
346 H TYR 26 H TYR 26 5.035 12.806 -7.761
347 HA TYR 26 HA TYR 26 4.468 9.899 -8.017
348 HB2 TYR 26 1HB TYR 26 5.170 10.588 -10.267
349 HB3 TYR 26 2HB TYR 26 6.578 11.426 -9.596
350 HD1 TYR 26 HD2 TYR 26 4.988 8.023 -9.805
351 HD2 TYR 26 HD1 TYR 26 8.627 10.266 -9.308
352 HE1 TYR 26 HE2 TYR 26 6.312 5.918 -9.896
353 HE2 TYR 26 HE1 TYR 26 9.940 8.151 -9.431
354 HH TYR 26 HH TYR 26 9.872 5.883 -9.622
355 H THR 27 H THR 27 5.748 8.728 -6.623
356 HA THR 27 HA THR 27 7.549 10.348 -4.883
357 HB THR 27 HB THR 27 7.063 8.630 -3.144
358 HG1 THR 27 HG1 THR 27 6.515 6.981 -4.719
359 HG21 THR 27 1HG2 THR 27 4.808 9.360 -2.644
360 HG22 THR 27 2HG2 THR 27 4.494 9.761 -4.346
361 HG23 THR 27 3HG2 THR 27 5.654 10.726 -3.402
362 HA PRO 28 HA PRO 28 10.354 7.370 -6.857
363 HB2 PRO 28 1HB PRO 28 12.662 8.807 -6.721
364 HB3 PRO 28 2HB PRO 28 11.410 9.153 -7.957
365 HG2 PRO 28 1HG PRO 28 11.885 10.496 -5.313
366 HG3 PRO 28 2HG PRO 28 11.681 11.238 -6.931
367 HD2 PRO 28 1HD PRO 28 9.636 11.037 -5.152
368 HD3 PRO 28 2HD PRO 28 9.365 10.889 -6.920
369 H LYS 29 H LYS 29 11.974 5.986 -5.938
370 HA LYS 29 HA LYS 29 12.021 6.066 -2.990
371 HB2 LYS 29 1HB LYS 29 13.255 3.877 -3.237
372 HB3 LYS 29 2HB LYS 29 11.587 3.893 -3.800
373 HG2 LYS 29 1HG LYS 29 12.154 3.568 -6.008
374 HG3 LYS 29 2HG LYS 29 13.714 4.386 -5.867
375 HD2 LYS 29 1HD LYS 29 13.465 1.891 -4.258
376 HD3 LYS 29 2HD LYS 29 13.384 1.667 -6.012
377 HE2 LYS 29 1HE LYS 29 15.688 1.423 -5.392
378 HE3 LYS 29 2HE LYS 29 15.535 2.969 -6.236
379 HZ1 LYS 29 3HZ LYS 29 15.631 4.105 -4.113
380 HZ2 LYS 29 1HZ LYS 29 16.944 3.120 -4.262
381 HZ3 LYS 29 2HZ LYS 29 15.693 2.675 -3.284
382 H THR 30 H THR 30 13.308 7.935 -2.680
383 HA THR 30 HA THR 30 15.999 8.007 -3.808
384 HB THR 30 HB THR 30 16.315 9.971 -2.243
385 HG1 THR 30 HG1 THR 30 14.302 10.594 -1.153
386 HG21 THR 30 1HG2 THR 30 15.223 10.261 -4.539
387 HG22 THR 30 2HG2 THR 30 14.639 11.432 -3.349
388 HG23 THR 30 3HG2 THR 30 13.633 10.038 -3.780
389 HXT THR 30 H02 THR 30 15.154 8.107 -0.616
Start of MODEL 35
1 H1 GLY 1 3H0 GLY 1 2.238 -0.707 -0.649
2 H2 GLY 1 2H0 GLY 1 3.560 -1.195 -1.509
3 H3 GLY 1 1H0 GLY 1 3.740 -0.636 0.031
4 HA2 GLY 1 1HA GLY 1 3.041 1.564 -0.604
5 HA3 GLY 1 2HA GLY 1 4.448 1.032 -1.545
6 H ILE 2 H ILE 2 2.223 3.021 -2.198
7 HA ILE 2 HA ILE 2 0.377 1.801 -3.949
8 HB ILE 2 HB ILE 2 0.249 4.112 -2.888
9 HG12 ILE 2 1HG1 ILE 2 -0.379 3.925 -5.848
10 HG13 ILE 2 2HG1 ILE 2 -1.335 3.187 -4.568
11 HG21 ILE 2 1HG2 ILE 2 1.841 5.026 -5.336
12 HG22 ILE 2 2HG2 ILE 2 1.187 6.041 -4.034
13 HG23 ILE 2 3HG2 ILE 2 2.517 4.922 -3.690
14 HD11 ILE 2 3HD1 ILE 2 -0.926 6.173 -5.052
15 HD12 ILE 2 1HD1 ILE 2 -2.420 5.239 -5.259
16 HD13 ILE 2 2HD1 ILE 2 -1.759 5.495 -3.629
17 H VAL 3 H VAL 3 3.692 2.862 -4.677
18 HA VAL 3 HA VAL 3 3.419 2.952 -7.497
19 HB VAL 3 HB VAL 3 5.868 2.098 -5.873
20 HG11 VAL 3 1HG1 VAL 3 5.609 3.216 -8.705
21 HG12 VAL 3 2HG1 VAL 3 7.148 2.999 -7.833
22 HG13 VAL 3 3HG1 VAL 3 6.160 1.589 -8.252
23 HG21 VAL 3 3HG2 VAL 3 4.896 4.868 -6.728
24 HG22 VAL 3 1HG2 VAL 3 5.094 4.266 -5.066
25 HG23 VAL 3 2HG2 VAL 3 6.519 4.530 -6.083
26 H GLU 4 H GLU 4 3.839 0.220 -5.293
27 HA GLU 4 HA GLU 4 4.590 -1.708 -7.285
28 HB2 GLU 4 1HB GLU 4 3.347 -2.017 -4.532
29 HB3 GLU 4 2HB GLU 4 3.956 -3.358 -5.506
30 HG2 GLU 4 1HG GLU 4 6.205 -2.595 -5.342
31 HG3 GLU 4 2HG GLU 4 5.709 -1.019 -4.708
32 HE2 GLU 4 HE2 GLU 4 6.303 -4.007 -2.306
33 H GLN 5 H GLN 5 1.506 -0.500 -6.072
34 HA GLN 5 HA GLN 5 -0.229 -2.578 -6.872
35 HB2 GLN 5 1HB GLN 5 -0.818 -0.566 -5.509
36 HB3 GLN 5 2HB GLN 5 -0.615 0.435 -6.941
37 HG2 GLN 5 1HG GLN 5 -2.490 -0.828 -8.024
38 HG3 GLN 5 2HG GLN 5 -2.780 -1.604 -6.456
39 HE21 GLN 5 2HE2 GLN 5 -2.470 1.565 -8.059
40 HE22 GLN 5 1HE2 GLN 5 -3.553 2.408 -6.978
41 H CYS 6 H CYS 6 1.197 0.117 -8.716
42 HA CYS 6 HA CYS 6 -0.256 -0.823 -11.138
43 HB2 CYS 6 1HB CYS 6 1.415 1.645 -10.587
44 HB3 CYS 6 2HB CYS 6 0.698 1.249 -12.151
45 H CYS 7 H CYS 7 2.926 -0.954 -9.710
46 HA CYS 7 HA CYS 7 4.208 -1.363 -12.313
47 HB2 CYS 7 1HB CYS 7 5.320 -0.090 -10.543
48 HB3 CYS 7 2HB CYS 7 5.312 -1.510 -9.495
49 H THR 8 H THR 8 3.565 -3.431 -9.395
50 HA THR 8 HA THR 8 4.806 -5.681 -10.826
51 HB THR 8 HB THR 8 4.913 -5.203 -8.241
52 HG1 THR 8 HG1 THR 8 4.388 -7.772 -9.351
53 HG21 THR 8 1HG2 THR 8 3.272 -6.284 -6.879
54 HG22 THR 8 2HG2 THR 8 2.452 -6.991 -8.283
55 HG23 THR 8 3HG2 THR 8 2.355 -5.244 -7.983
56 H SER 9 H SER 9 1.680 -4.294 -10.528
57 HA SER 9 HA SER 9 0.580 -6.575 -12.046
58 HB2 SER 9 1HB SER 9 -1.475 -6.527 -10.506
59 HB3 SER 9 2HB SER 9 -0.004 -7.147 -9.731
60 HG SER 9 HG SER 9 -0.969 -4.467 -9.515
61 H ILE 10 H ILE 10 -1.932 -5.853 -12.517
62 HA ILE 10 HA ILE 10 -1.501 -3.279 -13.927
63 HB ILE 10 HB ILE 10 -3.870 -5.212 -14.086
64 HG12 ILE 10 1HG1 ILE 10 -1.748 -6.289 -14.837
65 HG13 ILE 10 2HG1 ILE 10 -2.986 -6.161 -16.076
66 HG21 ILE 10 1HG2 ILE 10 -4.458 -2.939 -14.826
67 HG22 ILE 10 2HG2 ILE 10 -3.040 -2.888 -15.904
68 HG23 ILE 10 3HG2 ILE 10 -4.380 -4.021 -16.223
69 HD11 ILE 10 3HD1 ILE 10 -0.696 -4.181 -15.878
70 HD12 ILE 10 1HD1 ILE 10 -0.626 -5.673 -16.839
71 HD13 ILE 10 2HD1 ILE 10 -1.821 -4.429 -17.228
72 H CYS 11 H CYS 11 -2.466 -1.416 -13.252
73 HA CYS 11 HA CYS 11 -4.639 -1.657 -11.213
74 HB2 CYS 11 1HB CYS 11 -3.952 0.472 -10.327
75 HB3 CYS 11 2HB CYS 11 -2.545 -0.592 -10.360
76 H SER 12 H SER 12 -6.415 -0.167 -11.561
77 HA SER 12 HA SER 12 -6.860 0.250 -14.444
78 HB2 SER 12 1HB SER 12 -9.157 0.701 -13.817
79 HB3 SER 12 2HB SER 12 -8.604 -0.743 -12.942
80 HG SER 12 HG SER 12 -9.527 0.471 -11.403
81 H LEU 13 H LEU 13 -7.975 2.368 -15.102
82 HA LEU 13 HA LEU 13 -6.242 4.549 -14.523
83 HB2 LEU 13 1HB LEU 13 -7.674 5.875 -15.877
84 HB3 LEU 13 2HB LEU 13 -7.552 4.280 -16.600
85 HG LEU 13 HG LEU 13 -9.862 3.971 -15.192
86 HD11 LEU 13 1HD1 LEU 13 -9.906 6.299 -14.387
87 HD12 LEU 13 2HD1 LEU 13 -11.224 6.021 -15.534
88 HD13 LEU 13 3HD1 LEU 13 -9.769 6.900 -16.057
89 HD21 LEU 13 3HD2 LEU 13 -9.571 5.197 -17.960
90 HD22 LEU 13 1HD2 LEU 13 -11.008 4.357 -17.331
91 HD23 LEU 13 2HD2 LEU 13 -9.495 3.460 -17.566
92 H TYR 14 H TYR 14 -9.203 3.441 -12.981
93 HA TYR 14 HA TYR 14 -9.799 5.873 -11.591
94 HB2 TYR 14 1HB TYR 14 -10.391 3.050 -10.675
95 HB3 TYR 14 2HB TYR 14 -11.300 4.518 -10.305
96 HD1 TYR 14 HD2 TYR 14 -12.330 5.775 -12.420
97 HD2 TYR 14 HD1 TYR 14 -11.066 1.660 -12.432
98 HE1 TYR 14 HE2 TYR 14 -13.741 5.339 -14.434
99 HE2 TYR 14 HE1 TYR 14 -12.463 1.241 -14.464
100 HH TYR 14 HH TYR 14 -14.465 3.786 -15.954
101 H GLN 15 H GLN 15 -7.775 3.050 -10.896
102 HA GLN 15 HA GLN 15 -7.094 3.826 -8.195
103 HB2 GLN 15 1HB GLN 15 -5.651 2.056 -10.179
104 HB3 GLN 15 2HB GLN 15 -5.267 2.237 -8.466
105 HG2 GLN 15 1HG GLN 15 -7.816 1.653 -8.163
106 HG3 GLN 15 2HG GLN 15 -7.595 0.885 -9.743
107 HE21 GLN 15 2HE2 GLN 15 -7.272 0.585 -6.427
108 HE22 GLN 15 1HE2 GLN 15 -6.206 -0.784 -6.390
109 H LEU 16 H LEU 16 -5.810 4.514 -11.431
110 HA LEU 16 HA LEU 16 -3.408 5.809 -10.558
111 HB2 LEU 16 1HB LEU 16 -5.008 5.944 -13.105
112 HB3 LEU 16 2HB LEU 16 -3.573 6.926 -12.860
113 HG LEU 16 HG LEU 16 -3.586 3.896 -12.659
114 HD11 LEU 16 1HD1 LEU 16 -4.159 4.578 -14.942
115 HD12 LEU 16 2HD1 LEU 16 -2.524 3.903 -14.875
116 HD13 LEU 16 3HD1 LEU 16 -2.753 5.665 -14.986
117 HD21 LEU 16 3HD2 LEU 16 -1.725 4.946 -11.459
118 HD22 LEU 16 1HD2 LEU 16 -1.328 5.929 -12.886
119 HD23 LEU 16 2HD2 LEU 16 -1.132 4.163 -12.930
120 H GLU 17 H GLU 17 -6.749 6.989 -10.939
121 HA GLU 17 HA GLU 17 -6.194 9.776 -10.830
122 HB2 GLU 17 1HB GLU 17 -8.522 8.172 -9.721
123 HB3 GLU 17 2HB GLU 17 -8.474 9.932 -9.734
124 HG2 GLU 17 1HG GLU 17 -8.419 9.984 -12.144
125 HG3 GLU 17 2HG GLU 17 -8.255 8.229 -12.222
126 HE2 GLU 17 HE2 GLU 17 -10.220 10.336 -10.479
127 H ASN 18 H ASN 18 -6.149 7.354 -8.251
128 HA ASN 18 HA ASN 18 -6.325 9.115 -6.029
129 HB2 ASN 18 1HB ASN 18 -4.874 6.456 -6.288
130 HB3 ASN 18 2HB ASN 18 -5.197 7.290 -4.765
131 HD21 ASN 18 2HD2 ASN 18 -6.095 4.662 -5.837
132 HD22 ASN 18 1HD2 ASN 18 -7.837 4.713 -5.692
133 H TYR 19 H TYR 19 -3.643 8.497 -8.198
134 HA TYR 19 HA TYR 19 -1.518 9.267 -6.394
135 HB2 TYR 19 1HB TYR 19 -1.788 9.194 -9.391
136 HB3 TYR 19 2HB TYR 19 -0.297 9.688 -8.612
137 HD1 TYR 19 HD2 TYR 19 -2.705 6.797 -8.806
138 HD2 TYR 19 HD1 TYR 19 1.310 8.077 -7.964
139 HE1 TYR 19 HE2 TYR 19 -1.976 4.435 -8.718
140 HE2 TYR 19 HE1 TYR 19 2.027 5.688 -7.860
141 HH TYR 19 HH TYR 19 1.340 3.470 -7.972
142 H CYS 20 H CYS 20 -3.901 11.033 -8.275
143 HA CYS 20 HA CYS 20 -2.379 13.555 -8.216
144 HB2 CYS 20 1HB CYS 20 -5.285 13.058 -8.954
145 HB3 CYS 20 2HB CYS 20 -4.324 14.492 -9.329
146 H ASN 21 H ASN 21 -2.466 12.774 -5.680
147 HA ASN 21 HA ASN 21 -4.811 13.427 -4.159
148 HB2 ASN 21 1HB ASN 21 -2.949 12.044 -3.245
149 HB3 ASN 21 2HB ASN 21 -1.876 13.443 -3.291
150 HD21 ASN 21 2HD2 ASN 21 -2.184 15.188 -1.845
151 HD22 ASN 21 1HD2 ASN 21 -3.131 14.962 -0.396
152 HXT ASN 21 H02 ASN 21 -4.870 16.716 -3.924
153 H1 PHE 1 3H0 PHE 1 -8.719 4.202 -22.235
154 H2 PHE 1 2H0 PHE 1 -8.181 3.205 -23.435
155 H3 PHE 1 1H0 PHE 1 -9.072 2.591 -22.192
156 HA PHE 1 HA PHE 1 -6.368 3.742 -21.971
157 HB2 PHE 1 1HB PHE 1 -7.915 4.136 -20.017
158 HB3 PHE 1 2HB PHE 1 -8.084 2.384 -19.855
159 HD1 PHE 1 HD1 PHE 1 -5.725 5.248 -19.566
160 HD2 PHE 1 HD2 PHE 1 -6.337 1.044 -18.839
161 HE1 PHE 1 HE1 PHE 1 -3.674 5.195 -18.157
162 HE2 PHE 1 HE2 PHE 1 -4.292 0.989 -17.421
163 HZ PHE 1 HZ PHE 1 -2.944 3.059 -17.098
164 H VAL 2 H VAL 2 -4.669 2.203 -21.917
165 HA VAL 2 HA VAL 2 -5.520 -0.572 -22.662
166 HB VAL 2 HB VAL 2 -2.888 0.893 -23.229
167 HG11 VAL 2 1HG1 VAL 2 -3.872 -1.861 -24.120
168 HG12 VAL 2 2HG1 VAL 2 -2.390 -1.065 -24.695
169 HG13 VAL 2 3HG1 VAL 2 -2.533 -1.534 -22.991
170 HG21 VAL 2 3HG2 VAL 2 -5.212 0.187 -25.080
171 HG22 VAL 2 1HG2 VAL 2 -4.678 1.822 -24.615
172 HG23 VAL 2 2HG2 VAL 2 -3.632 0.803 -25.620
173 H ASN 3 H ASN 3 -4.935 -2.206 -21.272
174 HA ASN 3 HA ASN 3 -3.693 -1.460 -18.755
175 HB2 ASN 3 1HB ASN 3 -3.696 -3.932 -18.315
176 HB3 ASN 3 2HB ASN 3 -5.303 -3.222 -18.598
177 HD21 ASN 3 2HD2 ASN 3 -6.404 -3.716 -20.553
178 HD22 ASN 3 1HD2 ASN 3 -5.929 -5.096 -21.516
179 H GLN 4 H GLN 4 -1.677 -1.463 -18.210
180 HA GLN 4 HA GLN 4 0.224 -3.388 -19.254
181 HB2 GLN 4 1HB GLN 4 1.854 -1.600 -19.989
182 HB3 GLN 4 2HB GLN 4 0.474 -1.800 -21.074
183 HG2 GLN 4 1HG GLN 4 -0.615 0.172 -20.001
184 HG3 GLN 4 2HG GLN 4 0.840 0.408 -19.038
185 HE21 GLN 4 2HE2 GLN 4 -0.511 0.447 -22.274
186 HE22 GLN 4 1HE2 GLN 4 0.742 1.444 -22.979
187 H HIS 5 H HIS 5 1.844 -3.561 -17.711
188 HA HIS 5 HA HIS 5 1.416 -2.371 -15.120
189 HB2 HIS 5 1HB HIS 5 3.917 -3.666 -16.286
190 HB3 HIS 5 2HB HIS 5 3.682 -3.245 -14.589
191 HD1 HIS 5 HD1 HIS 5 1.021 -4.344 -13.826
192 HD2 HIS 5 HD2 HIS 5 3.549 -6.364 -16.418
193 HE1 HIS 5 HE1 HIS 5 0.301 -6.806 -13.855
194 HE2 HIS 5 HE2 HIS 5 1.877 -8.000 -15.403
195 H LEU 6 H LEU 6 2.389 -0.642 -14.137
196 HA LEU 6 HA LEU 6 3.851 1.243 -15.956
197 HB2 LEU 6 1HB LEU 6 1.844 1.687 -13.747
198 HB3 LEU 6 2HB LEU 6 2.875 2.938 -14.348
199 HG LEU 6 HG LEU 6 1.142 3.544 -15.503
200 HD11 LEU 6 1HD1 LEU 6 0.833 2.600 -17.730
201 HD12 LEU 6 2HD1 LEU 6 1.781 1.174 -17.265
202 HD13 LEU 6 3HD1 LEU 6 2.548 2.777 -17.329
203 HD21 LEU 6 3HD2 LEU 6 -0.812 2.093 -16.028
204 HD22 LEU 6 1HD2 LEU 6 -0.388 2.118 -14.306
205 HD23 LEU 6 2HD2 LEU 6 0.062 0.721 -15.309
206 H CYS 7 H CYS 7 5.917 1.180 -15.384
207 HA CYS 7 HA CYS 7 6.560 1.603 -12.493
208 HB2 CYS 7 1HB CYS 7 8.237 0.073 -14.511
209 HB3 CYS 7 2HB CYS 7 8.568 0.256 -12.785
210 H GLY 8 H GLY 8 8.313 3.089 -12.133
211 HA2 GLY 8 1HA GLY 8 9.634 4.915 -12.637
212 HA3 GLY 8 2HA GLY 8 10.027 4.056 -14.133
213 H SER 9 H SER 9 10.012 5.628 -15.629
214 HA SER 9 HA SER 9 8.293 7.852 -15.715
215 HB2 SER 9 1HB SER 9 9.135 6.876 -18.337
216 HB3 SER 9 2HB SER 9 9.610 8.352 -17.464
217 HG SER 9 HG SER 9 11.420 7.060 -17.632
218 H HIS 10 H HIS 10 7.662 4.529 -16.804
219 HA HIS 10 HA HIS 10 5.541 5.193 -18.637
220 HB2 HIS 10 1HB HIS 10 6.579 2.782 -17.339
221 HB3 HIS 10 2HB HIS 10 4.822 2.759 -17.465
222 HD1 HIS 10 HD1 HIS 10 3.781 2.328 -19.795
223 HD2 HIS 10 HD2 HIS 10 7.946 2.905 -19.880
224 HE1 HIS 10 HE1 HIS 10 4.565 1.735 -22.132
225 HE2 HIS 10 HE2 HIS 10 7.073 2.086 -22.173
226 H LEU 11 H LEU 11 5.683 4.906 -15.103
227 HA LEU 11 HA LEU 11 2.812 4.962 -14.736
228 HB2 LEU 11 1HB LEU 11 4.460 4.112 -13.078
229 HB3 LEU 11 2HB LEU 11 5.069 5.741 -12.861
230 HG LEU 11 HG LEU 11 3.140 6.440 -11.685
231 HD11 LEU 11 1HD1 LEU 11 1.172 5.020 -11.285
232 HD12 LEU 11 2HD1 LEU 11 1.820 3.795 -12.396
233 HD13 LEU 11 3HD1 LEU 11 1.349 5.402 -13.005
234 HD21 LEU 11 3HD2 LEU 11 3.758 3.568 -10.863
235 HD22 LEU 11 1HD2 LEU 11 3.154 4.872 -9.814
236 HD23 LEU 11 2HD2 LEU 11 4.785 4.977 -10.509
237 H VAL 12 H VAL 12 5.389 7.411 -14.819
238 HA VAL 12 HA VAL 12 3.765 9.638 -14.108
239 HB VAL 12 HB VAL 12 6.228 9.536 -15.923
240 HG11 VAL 12 1HG1 VAL 12 5.025 11.857 -14.369
241 HG12 VAL 12 2HG1 VAL 12 6.555 11.892 -15.276
242 HG13 VAL 12 3HG1 VAL 12 5.024 11.664 -16.138
243 HG21 VAL 12 3HG2 VAL 12 7.475 10.145 -13.840
244 HG22 VAL 12 1HG2 VAL 12 5.975 9.923 -12.910
245 HG23 VAL 12 2HG2 VAL 12 6.725 8.542 -13.743
246 H GLU 13 H GLU 13 4.583 8.229 -17.323
247 HA GLU 13 HA GLU 13 3.065 10.213 -18.752
248 HB2 GLU 13 1HB GLU 13 3.982 7.448 -19.586
249 HB3 GLU 13 2HB GLU 13 3.266 8.654 -20.663
250 HG2 GLU 13 1HG GLU 13 5.896 8.866 -19.165
251 HG3 GLU 13 2HG GLU 13 5.665 8.757 -20.913
252 HE2 GLU 13 HE2 GLU 13 4.435 12.056 -21.005
253 H ALA 14 H ALA 14 2.160 7.184 -17.219
254 HA ALA 14 HA ALA 14 -0.391 6.977 -18.575
255 HB1 ALA 14 3HB ALA 14 -0.961 5.425 -16.764
256 HB2 ALA 14 1HB ALA 14 0.671 5.085 -17.385
257 HB3 ALA 14 2HB ALA 14 0.469 5.947 -15.842
258 H LEU 15 H LEU 15 0.781 8.485 -15.551
259 HA LEU 15 HA LEU 15 -1.788 9.359 -14.652
260 HB2 LEU 15 1HB LEU 15 1.026 10.321 -14.111
261 HB3 LEU 15 2HB LEU 15 -0.387 11.023 -13.329
262 HG LEU 15 HG LEU 15 0.366 8.095 -13.103
263 HD11 LEU 15 1HD1 LEU 15 1.189 8.610 -10.875
264 HD12 LEU 15 2HD1 LEU 15 0.832 10.336 -11.110
265 HD13 LEU 15 3HD1 LEU 15 2.093 9.542 -12.084
266 HD21 LEU 15 3HD2 LEU 15 -1.219 8.121 -11.260
267 HD22 LEU 15 1HD2 LEU 15 -2.001 8.573 -12.773
268 HD23 LEU 15 2HD2 LEU 15 -1.585 9.830 -11.589
269 H TYR 16 H TYR 16 0.583 10.824 -16.848
270 HA TYR 16 HA TYR 16 -0.527 13.421 -17.060
271 HB2 TYR 16 1HB TYR 16 1.006 11.594 -18.865
272 HB3 TYR 16 2HB TYR 16 0.114 12.895 -19.644
273 HD1 TYR 16 HD2 TYR 16 0.526 15.322 -18.793
274 HD2 TYR 16 HD1 TYR 16 3.161 12.025 -17.956
275 HE1 TYR 16 HE2 TYR 16 2.385 16.916 -18.298
276 HE2 TYR 16 HE1 TYR 16 5.013 13.616 -17.500
277 HH TYR 16 HH TYR 16 5.652 15.808 -17.384
278 H LEU 17 H LEU 17 -1.466 10.372 -18.699
279 HA LEU 17 HA LEU 17 -3.517 11.656 -20.270
280 HB2 LEU 17 1HB LEU 17 -3.165 8.755 -19.466
281 HB3 LEU 17 2HB LEU 17 -4.295 9.355 -20.670
282 HG LEU 17 HG LEU 17 -1.275 9.603 -20.893
283 HD11 LEU 17 1HD1 LEU 17 -1.983 7.247 -20.874
284 HD12 LEU 17 2HD1 LEU 17 -1.427 7.737 -22.488
285 HD13 LEU 17 3HD1 LEU 17 -3.170 7.585 -22.161
286 HD21 LEU 17 3HD2 LEU 17 -2.453 11.280 -22.230
287 HD22 LEU 17 1HD2 LEU 17 -3.507 10.026 -22.927
288 HD23 LEU 17 2HD2 LEU 17 -1.765 10.039 -23.291
289 H VAL 18 H VAL 18 -3.569 9.837 -17.195
290 HA VAL 18 HA VAL 18 -6.449 9.685 -17.134
291 HB VAL 18 HB VAL 18 -4.367 9.309 -14.931
292 HG11 VAL 18 1HG1 VAL 18 -6.519 9.797 -13.889
293 HG12 VAL 18 2HG1 VAL 18 -7.340 8.629 -14.955
294 HG13 VAL 18 3HG1 VAL 18 -6.171 8.067 -13.736
295 HG21 VAL 18 3HG2 VAL 18 -4.825 6.906 -15.347
296 HG22 VAL 18 1HG2 VAL 18 -5.891 7.353 -16.692
297 HG23 VAL 18 2HG2 VAL 18 -4.158 7.717 -16.766
298 H CYS 19 H CYS 19 -4.090 11.851 -15.506
299 HA CYS 19 HA CYS 19 -6.395 13.300 -14.363
300 HB2 CYS 19 1HB CYS 19 -3.541 13.131 -13.746
301 HB3 CYS 19 2HB CYS 19 -4.211 14.777 -13.639
302 H GLY 20 H GLY 20 -4.437 13.454 -17.210
303 HA2 GLY 20 1HA GLY 20 -4.656 14.882 -18.991
304 HA3 GLY 20 2HA GLY 20 -6.137 15.487 -18.238
305 H GLU 21 H GLU 21 -5.765 17.573 -18.894
306 HA GLU 21 HA GLU 21 -3.333 19.006 -18.417
307 HB2 GLU 21 1HB GLU 21 -6.159 20.035 -18.865
308 HB3 GLU 21 2HB GLU 21 -4.682 21.001 -18.970
309 HG2 GLU 21 1HG GLU 21 -5.429 18.670 -20.781
310 HG3 GLU 21 2HG GLU 21 -5.483 20.386 -21.199
311 HE2 GLU 21 HE2 GLU 21 -4.034 18.016 -21.984
312 H ARG 22 H ARG 22 -5.594 17.972 -16.129
313 HA ARG 22 HA ARG 22 -5.634 20.314 -14.406
314 HB2 ARG 22 1HB ARG 22 -6.068 17.364 -13.810
315 HB3 ARG 22 2HB ARG 22 -6.367 18.676 -12.668
316 HG2 ARG 22 1HG ARG 22 -8.114 19.594 -14.077
317 HG3 ARG 22 2HG ARG 22 -7.780 18.399 -15.346
318 HD2 ARG 22 1HD ARG 22 -8.644 17.664 -12.527
319 HD3 ARG 22 2HD ARG 22 -9.769 17.883 -13.884
320 HE ARG 22 HE ARG 22 -7.712 16.059 -14.663
321 HH11 ARG 22 1HH1 ARG 22 -10.530 16.155 -12.529
322 HH12 ARG 22 2HH1 ARG 22 -10.816 14.443 -12.677
323 HH21 ARG 22 1HH2 ARG 22 -8.157 13.886 -14.821
324 HH22 ARG 22 2HH2 ARG 22 -9.494 13.184 -13.954
325 H GLY 23 H GLY 23 -3.329 17.828 -15.126
326 HA2 GLY 23 1HA GLY 23 -1.106 17.775 -14.418
327 HA3 GLY 23 2HA GLY 23 -1.461 19.008 -13.195
328 H PHE 24 H PHE 24 0.117 17.040 -12.399
329 HA PHE 24 HA PHE 24 -1.349 15.681 -10.301
330 HB2 PHE 24 1HB PHE 24 -0.847 13.410 -10.966
331 HB3 PHE 24 2HB PHE 24 -1.767 14.156 -12.276
332 HD1 PHE 24 HD2 PHE 24 -0.552 14.958 -14.339
333 HD2 PHE 24 HD1 PHE 24 1.341 12.576 -11.316
334 HE1 PHE 24 HE2 PHE 24 1.267 14.401 -15.922
335 HE2 PHE 24 HE1 PHE 24 3.148 11.973 -12.904
336 HZ PHE 24 HZ PHE 24 3.119 12.901 -15.223
337 H PHE 25 H PHE 25 0.486 14.169 -9.220
338 HA PHE 25 HA PHE 25 3.190 15.141 -9.925
339 HB2 PHE 25 1HB PHE 25 3.821 15.559 -7.655
340 HB3 PHE 25 2HB PHE 25 2.362 16.505 -7.960
341 HD1 PHE 25 HD2 PHE 25 0.169 15.761 -6.987
342 HD2 PHE 25 HD1 PHE 25 3.875 13.795 -6.027
343 HE1 PHE 25 HE2 PHE 25 -0.913 14.681 -5.037
344 HE2 PHE 25 HE1 PHE 25 2.792 12.707 -4.066
345 HZ PHE 25 HZ PHE 25 0.389 13.132 -3.577
346 H TYR 26 H TYR 26 4.833 13.627 -8.957
347 HA TYR 26 HA TYR 26 3.741 10.994 -8.164
348 HB2 TYR 26 1HB TYR 26 3.957 10.740 -10.576
349 HB3 TYR 26 2HB TYR 26 5.568 11.475 -10.553
350 HD1 TYR 26 HD2 TYR 26 3.729 8.608 -8.905
351 HD2 TYR 26 HD1 TYR 26 7.419 10.038 -10.604
352 HE1 TYR 26 HE2 TYR 26 4.787 6.393 -8.492
353 HE2 TYR 26 HE1 TYR 26 8.453 7.799 -10.222
354 HH TYR 26 HH TYR 26 6.674 5.121 -8.677
355 H THR 27 H THR 27 5.164 9.921 -6.791
356 HA THR 27 HA THR 27 7.579 11.488 -6.037
357 HB THR 27 HB THR 27 7.374 10.207 -3.848
358 HG1 THR 27 HG1 THR 27 4.710 9.855 -4.086
359 HG21 THR 27 1HG2 THR 27 5.038 11.998 -4.633
360 HG22 THR 27 2HG2 THR 27 6.641 12.564 -4.110
361 HG23 THR 27 3HG2 THR 27 5.607 11.667 -2.980
362 HA PRO 28 HA PRO 28 9.361 7.704 -7.817
363 HB2 PRO 28 1HB PRO 28 11.856 8.689 -8.322
364 HB3 PRO 28 2HB PRO 28 10.465 9.042 -9.397
365 HG2 PRO 28 1HG PRO 28 11.595 10.709 -7.162
366 HG3 PRO 28 2HG PRO 28 11.252 11.182 -8.859
367 HD2 PRO 28 1HD PRO 28 9.503 11.709 -6.881
368 HD3 PRO 28 2HD PRO 28 8.928 11.193 -8.504
369 H LYS 29 H LYS 29 11.295 6.395 -7.086
370 HA LYS 29 HA LYS 29 11.957 7.013 -4.232
371 HB2 LYS 29 1HB LYS 29 11.434 4.313 -5.525
372 HB3 LYS 29 2HB LYS 29 11.967 4.551 -3.860
373 HG2 LYS 29 1HG LYS 29 9.348 5.761 -4.845
374 HG3 LYS 29 2HG LYS 29 9.449 4.070 -4.364
375 HD2 LYS 29 1HD LYS 29 8.748 5.042 -2.388
376 HD3 LYS 29 2HD LYS 29 10.493 4.964 -2.142
377 HE2 LYS 29 1HE LYS 29 9.642 7.115 -1.372
378 HE3 LYS 29 2HE LYS 29 10.682 7.364 -2.778
379 HZ1 LYS 29 3HZ LYS 29 8.666 8.687 -2.887
380 HZ2 LYS 29 1HZ LYS 29 7.720 7.338 -2.859
381 HZ3 LYS 29 2HZ LYS 29 8.716 7.629 -4.144
382 H THR 30 H THR 30 13.893 7.888 -4.516
383 HA THR 30 HA THR 30 15.931 6.478 -6.158
384 HB THR 30 HB THR 30 17.125 8.759 -5.790
385 HG1 THR 30 HG1 THR 30 15.733 10.411 -5.111
386 HG21 THR 30 1HG2 THR 30 15.918 8.145 -7.952
387 HG22 THR 30 2HG2 THR 30 15.800 9.870 -7.576
388 HG23 THR 30 3HG2 THR 30 14.415 8.809 -7.275
389 HXT THR 30 H02 THR 30 16.724 6.569 -2.408
Start of MODEL 36
1 H1 GLY 1 3H0 GLY 1 4.389 0.426 -1.409
2 H2 GLY 1 2H0 GLY 1 4.549 0.953 0.148
3 H3 GLY 1 1H0 GLY 1 3.061 0.547 -0.438
4 HA2 GLY 1 1HA GLY 1 3.305 2.936 -0.315
5 HA3 GLY 1 2HA GLY 1 4.715 2.792 -1.386
6 H ILE 2 H ILE 2 2.505 4.415 -2.121
7 HA ILE 2 HA ILE 2 0.486 3.017 -3.493
8 HB ILE 2 HB ILE 2 0.480 5.453 -2.815
9 HG12 ILE 2 1HG1 ILE 2 -0.288 4.903 -5.697
10 HG13 ILE 2 2HG1 ILE 2 -1.209 4.380 -4.293
11 HG21 ILE 2 1HG2 ILE 2 1.462 7.169 -4.224
12 HG22 ILE 2 2HG2 ILE 2 2.755 6.026 -3.819
13 HG23 ILE 2 3HG2 ILE 2 1.992 5.975 -5.425
14 HD11 ILE 2 3HD1 ILE 2 -0.699 7.263 -5.152
15 HD12 ILE 2 1HD1 ILE 2 -2.235 6.377 -5.227
16 HD13 ILE 2 2HD1 ILE 2 -1.528 6.788 -3.649
17 H VAL 3 H VAL 3 3.706 3.956 -4.682
18 HA VAL 3 HA VAL 3 3.238 3.517 -7.431
19 HB VAL 3 HB VAL 3 5.218 4.681 -6.659
20 HG11 VAL 3 1HG1 VAL 3 5.600 3.587 -4.511
21 HG12 VAL 3 2HG1 VAL 3 6.090 2.082 -5.329
22 HG13 VAL 3 3HG1 VAL 3 7.080 3.548 -5.480
23 HG21 VAL 3 3HG2 VAL 3 6.179 2.073 -7.903
24 HG22 VAL 3 1HG2 VAL 3 5.400 3.396 -8.801
25 HG23 VAL 3 2HG2 VAL 3 6.955 3.671 -7.994
26 H GLU 4 H GLU 4 3.653 1.132 -4.873
27 HA GLU 4 HA GLU 4 4.593 -1.003 -6.544
28 HB2 GLU 4 1HB GLU 4 3.380 -0.802 -3.807
29 HB3 GLU 4 2HB GLU 4 3.394 -2.373 -4.601
30 HG2 GLU 4 1HG GLU 4 5.339 -2.256 -3.225
31 HG3 GLU 4 2HG GLU 4 5.862 -2.161 -4.914
32 HE2 GLU 4 HE2 GLU 4 7.356 -0.989 -5.039
33 H GLN 5 H GLN 5 1.364 0.208 -5.724
34 HA GLN 5 HA GLN 5 -0.108 -2.077 -6.456
35 HB2 GLN 5 1HB GLN 5 -1.002 0.790 -6.901
36 HB3 GLN 5 2HB GLN 5 -2.015 -0.628 -6.612
37 HG2 GLN 5 1HG GLN 5 -0.256 0.868 -4.648
38 HG3 GLN 5 2HG GLN 5 -1.997 0.605 -4.572
39 HE21 GLN 5 2HE2 GLN 5 -2.614 -1.822 -4.458
40 HE22 GLN 5 1HE2 GLN 5 -1.642 -2.785 -3.373
41 H CYS 6 H CYS 6 1.328 0.445 -8.464
42 HA CYS 6 HA CYS 6 0.059 -0.809 -10.873
43 HB2 CYS 6 1HB CYS 6 1.545 1.792 -10.454
44 HB3 CYS 6 2HB CYS 6 1.153 1.152 -12.049
45 H CYS 7 H CYS 7 3.140 -0.460 -9.224
46 HA CYS 7 HA CYS 7 4.726 -1.112 -11.542
47 HB2 CYS 7 1HB CYS 7 5.465 0.137 -9.459
48 HB3 CYS 7 2HB CYS 7 5.494 -1.421 -8.626
49 H THR 8 H THR 8 3.622 -3.043 -8.690
50 HA THR 8 HA THR 8 4.970 -5.393 -9.839
51 HB THR 8 HB THR 8 4.900 -4.747 -7.313
52 HG1 THR 8 HG1 THR 8 4.330 -7.374 -8.259
53 HG21 THR 8 1HG2 THR 8 2.331 -4.648 -7.253
54 HG22 THR 8 2HG2 THR 8 3.116 -5.624 -5.995
55 HG23 THR 8 3HG2 THR 8 2.362 -6.420 -7.391
56 H SER 9 H SER 9 1.793 -4.032 -9.915
57 HA SER 9 HA SER 9 0.837 -6.520 -11.202
58 HB2 SER 9 1HB SER 9 -1.307 -6.316 -9.800
59 HB3 SER 9 2HB SER 9 0.136 -6.816 -8.892
60 HG SER 9 HG SER 9 -0.878 -4.148 -9.030
61 H ILE 10 H ILE 10 -1.606 -6.057 -11.931
62 HA ILE 10 HA ILE 10 -1.229 -3.806 -13.790
63 HB ILE 10 HB ILE 10 -3.586 -5.741 -13.489
64 HG12 ILE 10 1HG1 ILE 10 -1.491 -6.948 -14.021
65 HG13 ILE 10 2HG1 ILE 10 -2.705 -7.054 -15.288
66 HG21 ILE 10 1HG2 ILE 10 -4.122 -5.050 -15.851
67 HG22 ILE 10 2HG2 ILE 10 -4.272 -3.726 -14.688
68 HG23 ILE 10 3HG2 ILE 10 -2.844 -3.809 -15.746
69 HD11 ILE 10 3HD1 ILE 10 -0.366 -5.121 -15.394
70 HD12 ILE 10 1HD1 ILE 10 -0.361 -6.742 -16.119
71 HD13 ILE 10 2HD1 ILE 10 -1.503 -5.518 -16.698
72 H CYS 11 H CYS 11 -2.294 -1.859 -13.638
73 HA CYS 11 HA CYS 11 -4.475 -1.657 -11.630
74 HB2 CYS 11 1HB CYS 11 -3.654 0.443 -10.831
75 HB3 CYS 11 2HB CYS 11 -2.334 -0.723 -10.701
76 H SER 12 H SER 12 -5.958 0.095 -12.162
77 HA SER 12 HA SER 12 -6.102 0.470 -15.128
78 HB2 SER 12 1HB SER 12 -8.534 0.575 -14.777
79 HB3 SER 12 2HB SER 12 -7.871 -0.928 -14.097
80 HG SER 12 HG SER 12 -9.052 -0.196 -12.462
81 H LEU 13 H LEU 13 -7.552 2.472 -15.677
82 HA LEU 13 HA LEU 13 -6.214 4.792 -14.781
83 HB2 LEU 13 1HB LEU 13 -7.755 6.038 -16.065
84 HB3 LEU 13 2HB LEU 13 -7.450 4.535 -16.918
85 HG LEU 13 HG LEU 13 -9.726 3.852 -15.594
86 HD11 LEU 13 1HD1 LEU 13 -9.976 6.836 -16.212
87 HD12 LEU 13 2HD1 LEU 13 -10.008 6.106 -14.589
88 HD13 LEU 13 3HD1 LEU 13 -11.306 5.753 -15.744
89 HD21 LEU 13 3HD2 LEU 13 -9.283 3.606 -17.996
90 HD22 LEU 13 1HD2 LEU 13 -9.547 5.353 -18.234
91 HD23 LEU 13 2HD2 LEU 13 -10.889 4.307 -17.710
92 H TYR 14 H TYR 14 -9.033 3.161 -13.458
93 HA TYR 14 HA TYR 14 -9.973 5.359 -11.870
94 HB2 TYR 14 1HB TYR 14 -10.240 2.393 -11.288
95 HB3 TYR 14 2HB TYR 14 -11.314 3.695 -10.759
96 HD1 TYR 14 HD1 TYR 14 -12.538 5.043 -12.673
97 HD2 TYR 14 HD2 TYR 14 -10.685 1.206 -13.275
98 HE1 TYR 14 HE1 TYR 14 -13.878 4.713 -14.755
99 HE2 TYR 14 HE2 TYR 14 -12.016 0.894 -15.364
100 HH TYR 14 HH TYR 14 -14.359 3.317 -16.511
101 H GLN 15 H GLN 15 -7.619 2.758 -11.384
102 HA GLN 15 HA GLN 15 -7.121 3.397 -8.589
103 HB2 GLN 15 1HB GLN 15 -5.490 1.819 -10.589
104 HB3 GLN 15 2HB GLN 15 -5.222 1.901 -8.840
105 HG2 GLN 15 1HG GLN 15 -7.773 1.196 -8.772
106 HG3 GLN 15 2HG GLN 15 -7.393 0.533 -10.373
107 HE21 GLN 15 2HE2 GLN 15 -7.304 0.063 -7.049
108 HE22 GLN 15 1HE2 GLN 15 -6.219 -1.294 -7.022
109 H LEU 16 H LEU 16 -5.779 4.288 -11.746
110 HA LEU 16 HA LEU 16 -3.470 5.658 -10.789
111 HB2 LEU 16 1HB LEU 16 -5.079 5.911 -13.321
112 HB3 LEU 16 2HB LEU 16 -3.651 6.887 -13.013
113 HG LEU 16 HG LEU 16 -3.637 3.849 -13.025
114 HD11 LEU 16 1HD1 LEU 16 -4.198 4.691 -15.258
115 HD12 LEU 16 2HD1 LEU 16 -2.558 4.029 -15.225
116 HD13 LEU 16 3HD1 LEU 16 -2.800 5.790 -15.210
117 HD21 LEU 16 3HD2 LEU 16 -1.196 4.112 -13.235
118 HD22 LEU 16 1HD2 LEU 16 -1.789 4.839 -11.735
119 HD23 LEU 16 2HD2 LEU 16 -1.369 5.876 -13.118
120 H GLU 17 H GLU 17 -6.859 6.674 -11.051
121 HA GLU 17 HA GLU 17 -6.463 9.471 -10.754
122 HB2 GLU 17 1HB GLU 17 -8.690 7.682 -9.727
123 HB3 GLU 17 2HB GLU 17 -8.727 9.442 -9.654
124 HG2 GLU 17 1HG GLU 17 -8.124 8.805 -12.324
125 HG3 GLU 17 2HG GLU 17 -9.397 7.687 -11.835
126 HE2 GLU 17 HE2 GLU 17 -11.773 10.027 -11.945
127 H ASN 18 H ASN 18 -6.032 6.909 -8.373
128 HA ASN 18 HA ASN 18 -6.306 8.584 -6.040
129 HB2 ASN 18 1HB ASN 18 -4.803 5.982 -6.471
130 HB3 ASN 18 2HB ASN 18 -5.003 6.769 -4.901
131 HD21 ASN 18 2HD2 ASN 18 -6.184 4.411 -6.818
132 HD22 ASN 18 1HD2 ASN 18 -7.819 4.328 -6.192
133 H TYR 19 H TYR 19 -3.695 8.118 -8.336
134 HA TYR 19 HA TYR 19 -1.574 9.098 -6.578
135 HB2 TYR 19 1HB TYR 19 -1.811 8.890 -9.577
136 HB3 TYR 19 2HB TYR 19 -0.346 9.395 -8.742
137 HD1 TYR 19 HD2 TYR 19 -2.723 6.529 -9.133
138 HD2 TYR 19 HD1 TYR 19 1.194 7.776 -7.911
139 HE1 TYR 19 HE2 TYR 19 -2.035 4.169 -8.981
140 HE2 TYR 19 HE1 TYR 19 1.876 5.395 -7.735
141 HH TYR 19 HH TYR 19 0.971 3.135 -7.600
142 H CYS 20 H CYS 20 -4.083 10.390 -8.631
143 HA CYS 20 HA CYS 20 -2.918 13.000 -9.097
144 HB2 CYS 20 1HB CYS 20 -5.040 11.558 -10.133
145 HB3 CYS 20 2HB CYS 20 -5.867 12.723 -9.096
146 H ASN 21 H ASN 21 -2.935 14.715 -7.715
147 HA ASN 21 HA ASN 21 -4.858 14.815 -5.491
148 HB2 ASN 21 1HB ASN 21 -3.116 13.314 -4.581
149 HB3 ASN 21 2HB ASN 21 -1.865 14.504 -4.930
150 HD21 ASN 21 2HD2 ASN 21 -4.674 13.734 -2.966
151 HD22 ASN 21 1HD2 ASN 21 -4.363 14.938 -1.739
152 HXT ASN 21 H02 ASN 21 -1.894 16.175 -6.040
153 H1 PHE 1 3H0 PHE 1 -8.234 1.382 -23.256
154 H2 PHE 1 2H0 PHE 1 -7.801 2.972 -23.162
155 H3 PHE 1 1H0 PHE 1 -7.103 1.989 -24.287
156 HA PHE 1 HA PHE 1 -5.565 2.373 -22.498
157 HB2 PHE 1 1HB PHE 1 -7.687 2.588 -20.922
158 HB3 PHE 1 2HB PHE 1 -7.432 0.856 -20.679
159 HD1 PHE 1 HD1 PHE 1 -5.925 4.239 -20.273
160 HD2 PHE 1 HD2 PHE 1 -5.605 0.053 -19.291
161 HE1 PHE 1 HE1 PHE 1 -4.183 4.775 -18.578
162 HE2 PHE 1 HE2 PHE 1 -3.861 0.585 -17.592
163 HZ PHE 1 HZ PHE 1 -3.136 2.950 -17.250
164 H VAL 2 H VAL 2 -4.167 0.554 -21.632
165 HA VAL 2 HA VAL 2 -5.017 -2.128 -22.576
166 HB VAL 2 HB VAL 2 -3.719 -1.219 -24.475
167 HG11 VAL 2 1HG1 VAL 2 -1.339 -0.558 -24.228
168 HG12 VAL 2 2HG1 VAL 2 -2.432 0.536 -23.364
169 HG13 VAL 2 3HG1 VAL 2 -1.497 -0.675 -22.462
170 HG21 VAL 2 3HG2 VAL 2 -1.986 -2.931 -24.649
171 HG22 VAL 2 1HG2 VAL 2 -2.016 -3.194 -22.891
172 HG23 VAL 2 2HG2 VAL 2 -3.434 -3.614 -23.887
173 H ASN 3 H ASN 3 -4.292 -3.728 -21.169
174 HA ASN 3 HA ASN 3 -3.392 -2.740 -18.590
175 HB2 ASN 3 1HB ASN 3 -3.836 -5.544 -19.671
176 HB3 ASN 3 2HB ASN 3 -3.275 -5.197 -18.028
177 HD21 ASN 3 2HD2 ASN 3 -5.703 -6.560 -18.741
178 HD22 ASN 3 1HD2 ASN 3 -7.027 -5.586 -18.148
179 H GLN 4 H GLN 4 -1.429 -2.514 -17.896
180 HA GLN 4 HA GLN 4 0.631 -4.478 -18.484
181 HB2 GLN 4 1HB GLN 4 2.279 -2.804 -19.297
182 HB3 GLN 4 2HB GLN 4 0.967 -3.041 -20.454
183 HG2 GLN 4 1HG GLN 4 -0.112 -0.950 -19.624
184 HG3 GLN 4 2HG GLN 4 1.270 -0.700 -18.551
185 HE21 GLN 4 2HE2 GLN 4 0.464 -1.254 -21.976
186 HE22 GLN 4 1HE2 GLN 4 1.703 -0.197 -22.605
187 H HIS 5 H HIS 5 2.223 -4.264 -16.897
188 HA HIS 5 HA HIS 5 1.507 -2.816 -14.481
189 HB2 HIS 5 1HB HIS 5 4.214 -3.943 -15.329
190 HB3 HIS 5 2HB HIS 5 3.745 -3.449 -13.697
191 HD1 HIS 5 HD1 HIS 5 1.134 -4.811 -13.203
192 HD2 HIS 5 HD2 HIS 5 4.210 -6.669 -15.262
193 HE1 HIS 5 HE1 HIS 5 0.725 -7.342 -13.067
194 HE2 HIS 5 HE2 HIS 5 2.625 -8.436 -14.304
195 H LEU 6 H LEU 6 2.246 -0.797 -13.829
196 HA LEU 6 HA LEU 6 3.676 0.787 -15.942
197 HB2 LEU 6 1HB LEU 6 1.435 1.598 -14.065
198 HB3 LEU 6 2HB LEU 6 2.353 2.725 -15.051
199 HG LEU 6 HG LEU 6 0.713 0.469 -16.225
200 HD11 LEU 6 1HD1 LEU 6 -0.989 2.199 -16.685
201 HD12 LEU 6 2HD1 LEU 6 -0.050 3.360 -15.716
202 HD13 LEU 6 3HD1 LEU 6 -0.757 1.917 -14.951
203 HD21 LEU 6 3HD2 LEU 6 0.811 1.885 -18.273
204 HD22 LEU 6 1HD2 LEU 6 2.413 1.341 -17.752
205 HD23 LEU 6 2HD2 LEU 6 1.888 3.013 -17.422
206 H CYS 7 H CYS 7 5.664 1.155 -15.239
207 HA CYS 7 HA CYS 7 6.031 2.200 -12.498
208 HB2 CYS 7 1HB CYS 7 6.346 -0.433 -12.762
209 HB3 CYS 7 2HB CYS 7 7.895 0.039 -13.469
210 H GLY 8 H GLY 8 8.266 3.177 -12.348
211 HA2 GLY 8 1HA GLY 8 9.898 4.553 -13.255
212 HA3 GLY 8 2HA GLY 8 9.881 3.490 -14.681
213 H SER 9 H SER 9 9.962 5.082 -16.254
214 HA SER 9 HA SER 9 8.454 7.449 -16.266
215 HB2 SER 9 1HB SER 9 9.090 5.980 -18.812
216 HB3 SER 9 2HB SER 9 9.237 7.714 -18.438
217 HG SER 9 HG SER 9 11.289 6.892 -18.374
218 H HIS 10 H HIS 10 7.464 4.167 -17.242
219 HA HIS 10 HA HIS 10 5.229 4.958 -18.836
220 HB2 HIS 10 1HB HIS 10 5.914 2.465 -17.291
221 HB3 HIS 10 2HB HIS 10 4.303 2.672 -17.973
222 HD1 HIS 10 HD1 HIS 10 4.122 1.362 -20.094
223 HD2 HIS 10 HD2 HIS 10 7.829 3.304 -19.701
224 HE1 HIS 10 HE1 HIS 10 5.415 0.943 -22.234
225 HE2 HIS 10 HE2 HIS 10 7.652 2.106 -21.988
226 H LEU 11 H LEU 11 5.590 4.663 -15.306
227 HA LEU 11 HA LEU 11 2.752 4.795 -14.831
228 HB2 LEU 11 1HB LEU 11 4.371 3.909 -13.194
229 HB3 LEU 11 2HB LEU 11 5.075 5.509 -13.010
230 HG LEU 11 HG LEU 11 3.067 6.351 -11.953
231 HD11 LEU 11 1HD1 LEU 11 1.165 4.814 -11.406
232 HD12 LEU 11 2HD1 LEU 11 1.868 3.609 -12.510
233 HD13 LEU 11 3HD1 LEU 11 1.301 5.178 -13.134
234 HD21 LEU 11 3HD2 LEU 11 3.800 3.615 -10.838
235 HD22 LEU 11 1HD2 LEU 11 3.083 4.971 -9.936
236 HD23 LEU 11 2HD2 LEU 11 4.725 5.115 -10.591
237 H VAL 12 H VAL 12 5.360 7.299 -14.738
238 HA VAL 12 HA VAL 12 3.472 9.345 -14.050
239 HB VAL 12 HB VAL 12 5.979 9.439 -13.636
240 HG11 VAL 12 1HG1 VAL 12 6.791 8.827 -15.862
241 HG12 VAL 12 2HG1 VAL 12 6.099 10.313 -16.550
242 HG13 VAL 12 3HG1 VAL 12 7.424 10.401 -15.371
243 HG21 VAL 12 3HG2 VAL 12 4.672 11.829 -14.976
244 HG22 VAL 12 1HG2 VAL 12 4.572 11.368 -13.263
245 HG23 VAL 12 2HG2 VAL 12 6.122 11.887 -13.945
246 H GLU 13 H GLU 13 4.585 8.040 -17.163
247 HA GLU 13 HA GLU 13 3.430 10.088 -18.813
248 HB2 GLU 13 1HB GLU 13 4.051 7.155 -19.252
249 HB3 GLU 13 2HB GLU 13 3.338 8.160 -20.518
250 HG2 GLU 13 1HG GLU 13 5.259 9.594 -20.589
251 HG3 GLU 13 2HG GLU 13 5.949 8.852 -19.142
252 HE2 GLU 13 HE2 GLU 13 6.040 8.981 -22.234
253 H ALA 14 H ALA 14 2.111 7.066 -17.416
254 HA ALA 14 HA ALA 14 -0.405 7.246 -18.779
255 HB1 ALA 14 3HB ALA 14 -1.153 5.609 -17.110
256 HB2 ALA 14 1HB ALA 14 0.459 5.179 -17.726
257 HB3 ALA 14 2HB ALA 14 0.293 5.933 -16.122
258 H LEU 15 H LEU 15 0.823 8.547 -15.692
259 HA LEU 15 HA LEU 15 -1.725 9.407 -14.729
260 HB2 LEU 15 1HB LEU 15 1.092 10.340 -14.142
261 HB3 LEU 15 2HB LEU 15 -0.327 10.984 -13.319
262 HG LEU 15 HG LEU 15 0.503 8.067 -13.279
263 HD11 LEU 15 1HD1 LEU 15 1.178 8.496 -10.959
264 HD12 LEU 15 2HD1 LEU 15 0.774 10.220 -11.150
265 HD13 LEU 15 3HD1 LEU 15 2.108 9.505 -12.085
266 HD21 LEU 15 3HD2 LEU 15 -1.155 7.897 -11.464
267 HD22 LEU 15 1HD2 LEU 15 -1.898 8.332 -13.002
268 HD23 LEU 15 2HD2 LEU 15 -1.644 9.582 -11.766
269 H TYR 16 H TYR 16 0.561 10.958 -16.968
270 HA TYR 16 HA TYR 16 -0.650 13.559 -16.874
271 HB2 TYR 16 1HB TYR 16 0.872 12.048 -19.009
272 HB3 TYR 16 2HB TYR 16 0.106 13.598 -19.369
273 HD1 TYR 16 HD2 TYR 16 0.727 15.649 -17.945
274 HD2 TYR 16 HD1 TYR 16 3.031 12.022 -17.964
275 HE1 TYR 16 HE2 TYR 16 2.687 16.880 -17.007
276 HE2 TYR 16 HE1 TYR 16 4.986 13.258 -17.029
277 HH TYR 16 HH TYR 16 5.794 15.279 -16.314
278 H LEU 17 H LEU 17 -1.498 10.585 -18.642
279 HA LEU 17 HA LEU 17 -3.553 11.868 -20.212
280 HB2 LEU 17 1HB LEU 17 -3.262 8.962 -19.400
281 HB3 LEU 17 2HB LEU 17 -4.311 9.594 -20.656
282 HG LEU 17 HG LEU 17 -1.278 9.735 -20.731
283 HD11 LEU 17 1HD1 LEU 17 -2.083 7.403 -20.723
284 HD12 LEU 17 2HD1 LEU 17 -1.413 7.852 -22.307
285 HD13 LEU 17 3HD1 LEU 17 -3.177 7.774 -22.079
286 HD21 LEU 17 3HD2 LEU 17 -1.628 10.171 -23.151
287 HD22 LEU 17 1HD2 LEU 17 -2.338 11.440 -22.136
288 HD23 LEU 17 2HD2 LEU 17 -3.386 10.209 -22.881
289 H VAL 18 H VAL 18 -3.569 10.016 -17.158
290 HA VAL 18 HA VAL 18 -6.464 9.934 -17.052
291 HB VAL 18 HB VAL 18 -4.359 9.364 -14.911
292 HG11 VAL 18 1HG1 VAL 18 -7.345 8.748 -14.964
293 HG12 VAL 18 2HG1 VAL 18 -6.186 8.089 -13.784
294 HG13 VAL 18 3HG1 VAL 18 -6.499 9.832 -13.833
295 HG21 VAL 18 3HG2 VAL 18 -5.909 7.576 -16.829
296 HG22 VAL 18 1HG2 VAL 18 -4.157 7.864 -16.809
297 HG23 VAL 18 2HG2 VAL 18 -4.920 6.987 -15.478
298 H CYS 19 H CYS 19 -3.959 11.929 -15.440
299 HA CYS 19 HA CYS 19 -5.979 13.404 -13.949
300 HB2 CYS 19 1HB CYS 19 -3.044 13.892 -14.496
301 HB3 CYS 19 2HB CYS 19 -4.050 14.976 -13.517
302 H GLY 20 H GLY 20 -4.462 13.651 -17.149
303 HA2 GLY 20 1HA GLY 20 -4.936 15.096 -18.873
304 HA3 GLY 20 2HA GLY 20 -6.467 15.455 -18.050
305 H GLU 21 H GLU 21 -6.503 17.623 -18.405
306 HA GLU 21 HA GLU 21 -4.262 19.363 -18.017
307 HB2 GLU 21 1HB GLU 21 -7.246 19.919 -18.102
308 HB3 GLU 21 2HB GLU 21 -5.987 21.161 -18.148
309 HG2 GLU 21 1HG GLU 21 -5.114 20.214 -20.249
310 HG3 GLU 21 2HG GLU 21 -6.366 18.963 -20.210
311 HE2 GLU 21 HE2 GLU 21 -7.424 22.698 -20.992
312 H ARG 22 H ARG 22 -6.078 17.783 -15.608
313 HA ARG 22 HA ARG 22 -6.272 19.947 -13.693
314 HB2 ARG 22 1HB ARG 22 -6.126 16.940 -13.305
315 HB3 ARG 22 2HB ARG 22 -6.464 18.101 -12.023
316 HG2 ARG 22 1HG ARG 22 -8.500 18.826 -13.141
317 HG3 ARG 22 2HG ARG 22 -8.182 17.729 -14.501
318 HD2 ARG 22 1HD ARG 22 -8.469 16.792 -11.631
319 HD3 ARG 22 2HD ARG 22 -9.830 16.894 -12.767
320 HE ARG 22 HE ARG 22 -7.819 15.422 -14.064
321 HH11 ARG 22 1HH1 ARG 22 -9.813 15.015 -11.165
322 HH12 ARG 22 2HH1 ARG 22 -9.825 13.272 -11.312
323 HH21 ARG 22 1HH2 ARG 22 -7.938 13.163 -14.182
324 HH22 ARG 22 2HH2 ARG 22 -8.797 12.270 -12.944
325 H GLY 23 H GLY 23 -3.709 17.793 -14.721
326 HA2 GLY 23 1HA GLY 23 -1.447 17.890 -14.181
327 HA3 GLY 23 2HA GLY 23 -1.779 19.243 -13.081
328 H PHE 24 H PHE 24 -0.005 17.436 -12.194
329 HA PHE 24 HA PHE 24 -1.203 16.364 -9.803
330 HB2 PHE 24 1HB PHE 24 -0.781 14.010 -10.177
331 HB3 PHE 24 2HB PHE 24 -1.866 14.588 -11.437
332 HD1 PHE 24 HD2 PHE 24 -0.888 15.142 -13.740
333 HD2 PHE 24 HD1 PHE 24 1.264 12.981 -10.723
334 HE1 PHE 24 HE2 PHE 24 0.692 14.317 -15.464
335 HE2 PHE 24 HE1 PHE 24 2.843 12.143 -12.437
336 HZ PHE 24 HZ PHE 24 2.565 12.810 -14.827
337 H PHE 25 H PHE 25 0.647 14.988 -8.698
338 HA PHE 25 HA PHE 25 3.325 15.725 -9.740
339 HB2 PHE 25 1HB PHE 25 4.131 16.094 -7.430
340 HB3 PHE 25 2HB PHE 25 2.943 17.309 -7.913
341 HD1 PHE 25 HD1 PHE 25 3.438 14.233 -5.853
342 HD2 PHE 25 HD2 PHE 25 0.892 17.598 -6.715
343 HE1 PHE 25 HE1 PHE 25 2.095 13.732 -3.819
344 HE2 PHE 25 HE2 PHE 25 -0.441 17.116 -4.663
345 HZ PHE 25 HZ PHE 25 0.152 15.174 -3.220
346 H TYR 26 H TYR 26 4.933 14.115 -8.896
347 HA TYR 26 HA TYR 26 3.663 11.564 -8.023
348 HB2 TYR 26 1HB TYR 26 3.758 11.379 -10.434
349 HB3 TYR 26 2HB TYR 26 5.421 11.986 -10.464
350 HD1 TYR 26 HD2 TYR 26 3.450 9.207 -8.814
351 HD2 TYR 26 HD1 TYR 26 7.132 10.420 -10.690
352 HE1 TYR 26 HE2 TYR 26 4.354 6.904 -8.548
353 HE2 TYR 26 HE1 TYR 26 8.010 8.107 -10.445
354 HH TYR 26 HH TYR 26 7.637 6.023 -9.705
355 H THR 27 H THR 27 4.949 10.367 -6.703
356 HA THR 27 HA THR 27 7.564 11.590 -5.987
357 HB THR 27 HB THR 27 6.316 11.972 -4.095
358 HG1 THR 27 HG1 THR 27 8.034 10.779 -3.372
359 HG21 THR 27 1HG2 THR 27 4.934 9.355 -4.699
360 HG22 THR 27 2HG2 THR 27 4.239 10.997 -4.679
361 HG23 THR 27 3HG2 THR 27 4.741 10.226 -3.160
362 HA PRO 28 HA PRO 28 8.740 7.389 -7.299
363 HB2 PRO 28 1HB PRO 28 11.229 8.017 -8.208
364 HB3 PRO 28 2HB PRO 28 9.760 8.400 -9.157
365 HG2 PRO 28 1HG PRO 28 11.409 10.183 -7.408
366 HG3 PRO 28 2HG PRO 28 10.721 10.505 -9.025
367 HD2 PRO 28 1HD PRO 28 9.595 11.335 -6.639
368 HD3 PRO 28 2HD PRO 28 8.633 11.052 -8.126
369 H LYS 29 H LYS 29 10.392 5.897 -6.397
370 HA LYS 29 HA LYS 29 11.287 6.779 -3.713
371 HB2 LYS 29 1HB LYS 29 11.585 4.094 -5.121
372 HB3 LYS 29 2HB LYS 29 12.039 4.445 -3.447
373 HG2 LYS 29 1HG LYS 29 9.567 5.091 -3.104
374 HG3 LYS 29 2HG LYS 29 9.271 4.280 -4.650
375 HD2 LYS 29 1HD LYS 29 10.554 3.005 -2.183
376 HD3 LYS 29 2HD LYS 29 8.874 2.794 -2.695
377 HE2 LYS 29 1HE LYS 29 9.756 0.882 -3.605
378 HE3 LYS 29 2HE LYS 29 10.022 1.979 -4.972
379 HZ1 LYS 29 3HZ LYS 29 12.056 1.253 -2.919
380 HZ2 LYS 29 1HZ LYS 29 12.320 2.272 -4.188
381 HZ3 LYS 29 2HZ LYS 29 12.010 0.675 -4.463
382 H THR 30 H THR 30 12.836 8.367 -4.431
383 HA THR 30 HA THR 30 15.115 7.441 -6.037
384 HB THR 30 HB THR 30 15.908 9.878 -5.237
385 HG1 THR 30 HG1 THR 30 14.374 10.403 -3.787
386 HG21 THR 30 1HG2 THR 30 13.541 9.364 -7.143
387 HG22 THR 30 2HG2 THR 30 15.259 9.339 -7.588
388 HG23 THR 30 3HG2 THR 30 14.493 10.854 -7.089
389 HXT THR 30 H02 THR 30 15.471 5.918 -4.735
Start of MODEL 37
1 H1 GLY 1 3H0 GLY 1 0.892 -1.094 -0.993
2 H2 GLY 1 2H0 GLY 1 2.456 -1.102 -1.520
3 H3 GLY 1 1H0 GLY 1 2.116 -0.746 0.056
4 HA2 GLY 1 1HA GLY 1 0.991 1.281 -0.557
5 HA3 GLY 1 2HA GLY 1 2.661 1.269 -1.154
6 H ILE 2 H ILE 2 0.676 2.949 -2.350
7 HA ILE 2 HA ILE 2 -0.699 1.634 -4.463
8 HB ILE 2 HB ILE 2 -1.314 3.833 -3.481
9 HG12 ILE 2 1HG1 ILE 2 -0.934 3.827 -6.490
10 HG13 ILE 2 2HG1 ILE 2 -2.218 2.997 -5.615
11 HG21 ILE 2 1HG2 ILE 2 1.010 4.840 -3.414
12 HG22 ILE 2 2HG2 ILE 2 0.918 5.057 -5.178
13 HG23 ILE 2 3HG2 ILE 2 -0.213 5.909 -4.111
14 HD11 ILE 2 3HD1 ILE 2 -3.116 5.026 -6.510
15 HD12 ILE 2 1HD1 ILE 2 -2.986 5.241 -4.751
16 HD13 ILE 2 2HD1 ILE 2 -1.794 6.003 -5.842
17 H VAL 3 H VAL 3 2.530 3.180 -4.468
18 HA VAL 3 HA VAL 3 2.867 2.948 -7.306
19 HB VAL 3 HB VAL 3 5.020 3.005 -5.142
20 HG11 VAL 3 1HG1 VAL 3 5.079 3.715 -8.107
21 HG12 VAL 3 2HG1 VAL 3 6.401 4.031 -6.959
22 HG13 VAL 3 3HG1 VAL 3 5.917 2.357 -7.325
23 HG21 VAL 3 3HG2 VAL 3 3.555 4.924 -4.834
24 HG22 VAL 3 1HG2 VAL 3 5.054 5.474 -5.605
25 HG23 VAL 3 2HG2 VAL 3 3.581 5.273 -6.579
26 H GLU 4 H GLU 4 3.588 0.849 -4.559
27 HA GLU 4 HA GLU 4 5.026 -1.163 -5.973
28 HB2 GLU 4 1HB GLU 4 4.910 -0.854 -3.486
29 HB3 GLU 4 2HB GLU 4 3.227 -1.366 -3.538
30 HG2 GLU 4 1HG GLU 4 3.986 -3.583 -4.415
31 HG3 GLU 4 2HG GLU 4 5.653 -3.057 -4.135
32 HE2 GLU 4 HE2 GLU 4 4.918 -4.771 -1.218
33 H GLN 5 H GLN 5 1.563 -0.735 -5.215
34 HA GLN 5 HA GLN 5 0.643 -3.200 -6.243
35 HB2 GLN 5 1HB GLN 5 -0.534 -1.463 -4.812
36 HB3 GLN 5 2HB GLN 5 -0.816 -0.530 -6.279
37 HG2 GLN 5 1HG GLN 5 -2.464 -1.918 -6.999
38 HG3 GLN 5 2HG GLN 5 -1.680 -3.369 -6.349
39 HE21 GLN 5 2HE2 GLN 5 -4.186 -1.137 -5.902
40 HE22 GLN 5 1HE2 GLN 5 -4.590 -1.574 -4.254
41 H CYS 6 H CYS 6 1.098 -0.020 -7.817
42 HA CYS 6 HA CYS 6 0.084 -0.926 -10.377
43 HB2 CYS 6 1HB CYS 6 1.617 1.498 -9.411
44 HB3 CYS 6 2HB CYS 6 1.282 1.235 -11.132
45 H CYS 7 H CYS 7 3.215 -0.980 -8.819
46 HA CYS 7 HA CYS 7 4.746 -1.313 -11.235
47 HB2 CYS 7 1HB CYS 7 5.625 -0.520 -9.010
48 HB3 CYS 7 2HB CYS 7 5.420 -2.161 -8.393
49 H THR 8 H THR 8 3.540 -3.586 -8.715
50 HA THR 8 HA THR 8 4.635 -5.837 -10.238
51 HB THR 8 HB THR 8 4.722 -5.642 -7.699
52 HG1 THR 8 HG1 THR 8 4.307 -7.904 -7.482
53 HG21 THR 8 1HG2 THR 8 1.874 -6.681 -7.822
54 HG22 THR 8 2HG2 THR 8 2.269 -4.987 -7.449
55 HG23 THR 8 3HG2 THR 8 2.837 -6.288 -6.383
56 H SER 9 H SER 9 1.470 -4.326 -9.889
57 HA SER 9 HA SER 9 0.425 -6.523 -11.607
58 HB2 SER 9 1HB SER 9 -0.295 -6.718 -9.145
59 HB3 SER 9 2HB SER 9 -1.219 -5.221 -9.392
60 HG SER 9 HG SER 9 -2.365 -7.276 -9.749
61 H ILE 10 H ILE 10 -2.057 -5.648 -12.171
62 HA ILE 10 HA ILE 10 -1.249 -3.661 -14.128
63 HB ILE 10 HB ILE 10 -3.949 -4.949 -13.583
64 HG12 ILE 10 1HG1 ILE 10 -2.188 -6.544 -14.257
65 HG13 ILE 10 2HG1 ILE 10 -3.468 -6.398 -15.458
66 HG21 ILE 10 1HG2 ILE 10 -3.061 -3.166 -15.892
67 HG22 ILE 10 2HG2 ILE 10 -4.541 -4.157 -15.897
68 HG23 ILE 10 3HG2 ILE 10 -4.358 -2.849 -14.720
69 HD11 ILE 10 3HD1 ILE 10 -0.739 -5.072 -15.656
70 HD12 ILE 10 1HD1 ILE 10 -1.240 -6.554 -16.493
71 HD13 ILE 10 2HD1 ILE 10 -2.020 -5.013 -16.877
72 H CYS 11 H CYS 11 -1.274 -1.586 -13.936
73 HA CYS 11 HA CYS 11 -2.656 -0.340 -11.658
74 HB2 CYS 11 1HB CYS 11 -0.267 0.131 -12.442
75 HB3 CYS 11 2HB CYS 11 -0.986 0.943 -13.820
76 H SER 12 H SER 12 -4.830 -0.693 -12.362
77 HA SER 12 HA SER 12 -5.848 0.156 -14.891
78 HB2 SER 12 1HB SER 12 -7.303 0.102 -12.221
79 HB3 SER 12 2HB SER 12 -8.021 -0.062 -13.839
80 HG SER 12 HG SER 12 -6.995 -2.046 -14.052
81 H LEU 13 H LEU 13 -7.264 2.034 -15.307
82 HA LEU 13 HA LEU 13 -6.052 4.482 -14.649
83 HB2 LEU 13 1HB LEU 13 -7.895 5.545 -15.723
84 HB3 LEU 13 2HB LEU 13 -7.496 4.072 -16.596
85 HG LEU 13 HG LEU 13 -9.493 3.158 -14.958
86 HD11 LEU 13 1HD1 LEU 13 -9.984 5.397 -14.055
87 HD12 LEU 13 2HD1 LEU 13 -11.325 4.819 -15.058
88 HD13 LEU 13 3HD1 LEU 13 -10.195 6.030 -15.706
89 HD21 LEU 13 3HD2 LEU 13 -10.924 3.298 -16.951
90 HD22 LEU 13 1HD2 LEU 13 -9.279 2.780 -17.369
91 HD23 LEU 13 2HD2 LEU 13 -9.793 4.457 -17.688
92 H TYR 14 H TYR 14 -8.532 2.732 -12.881
93 HA TYR 14 HA TYR 14 -9.448 4.912 -11.277
94 HB2 TYR 14 1HB TYR 14 -9.280 1.989 -10.500
95 HB3 TYR 14 2HB TYR 14 -10.426 3.195 -9.912
96 HD1 TYR 14 HD2 TYR 14 -11.999 4.276 -11.768
97 HD2 TYR 14 HD1 TYR 14 -9.852 0.578 -12.288
98 HE1 TYR 14 HE2 TYR 14 -13.538 3.634 -13.624
99 HE2 TYR 14 HE1 TYR 14 -11.383 -0.040 -14.162
100 HH TYR 14 HH TYR 14 -14.090 2.042 -15.178
101 H GLN 15 H GLN 15 -6.756 2.621 -10.978
102 HA GLN 15 HA GLN 15 -5.996 3.379 -8.288
103 HB2 GLN 15 1HB GLN 15 -4.343 2.184 -10.554
104 HB3 GLN 15 2HB GLN 15 -3.843 2.272 -8.868
105 HG2 GLN 15 1HG GLN 15 -6.300 0.747 -9.814
106 HG3 GLN 15 2HG GLN 15 -4.695 0.023 -9.647
107 HE21 GLN 15 2HE2 GLN 15 -7.597 0.508 -8.098
108 HE22 GLN 15 1HE2 GLN 15 -7.061 0.255 -6.457
109 H LEU 16 H LEU 16 -5.153 4.359 -11.591
110 HA LEU 16 HA LEU 16 -3.068 6.166 -10.909
111 HB2 LEU 16 1HB LEU 16 -4.900 5.988 -13.303
112 HB3 LEU 16 2HB LEU 16 -3.588 7.154 -13.190
113 HG LEU 16 HG LEU 16 -3.172 4.156 -12.959
114 HD11 LEU 16 1HD1 LEU 16 -4.065 4.681 -15.176
115 HD12 LEU 16 2HD1 LEU 16 -2.365 4.205 -15.257
116 HD13 LEU 16 3HD1 LEU 16 -2.810 5.923 -15.395
117 HD21 LEU 16 3HD2 LEU 16 -1.370 5.548 -11.995
118 HD22 LEU 16 1HD2 LEU 16 -1.237 6.432 -13.532
119 HD23 LEU 16 2HD2 LEU 16 -0.834 4.707 -13.457
120 H GLU 17 H GLU 17 -6.608 6.680 -11.095
121 HA GLU 17 HA GLU 17 -6.547 9.504 -11.033
122 HB2 GLU 17 1HB GLU 17 -8.538 7.468 -10.056
123 HB3 GLU 17 2HB GLU 17 -8.793 9.194 -9.782
124 HG2 GLU 17 1HG GLU 17 -8.581 9.591 -12.217
125 HG3 GLU 17 2HG GLU 17 -8.463 7.845 -12.467
126 HE2 GLU 17 HE2 GLU 17 -11.919 9.544 -11.676
127 H ASN 18 H ASN 18 -5.862 7.281 -8.401
128 HA ASN 18 HA ASN 18 -6.389 9.123 -6.252
129 HB2 ASN 18 1HB ASN 18 -4.521 6.751 -6.444
130 HB3 ASN 18 2HB ASN 18 -4.857 7.627 -4.946
131 HD21 ASN 18 2HD2 ASN 18 -5.867 5.197 -7.092
132 HD22 ASN 18 1HD2 ASN 18 -7.387 4.824 -6.308
133 H TYR 19 H TYR 19 -3.727 8.797 -8.497
134 HA TYR 19 HA TYR 19 -1.761 10.227 -6.861
135 HB2 TYR 19 1HB TYR 19 -1.945 9.461 -9.758
136 HB3 TYR 19 2HB TYR 19 -0.566 10.299 -9.096
137 HD1 TYR 19 HD2 TYR 19 -2.329 7.070 -9.247
138 HD2 TYR 19 HD1 TYR 19 1.059 9.196 -7.686
139 HE1 TYR 19 HE2 TYR 19 -1.202 4.907 -8.763
140 HE2 TYR 19 HE1 TYR 19 2.173 7.033 -7.187
141 HH TYR 19 HH TYR 19 0.632 3.885 -7.971
142 H CYS 20 H CYS 20 -4.535 11.221 -8.614
143 HA CYS 20 HA CYS 20 -3.360 13.455 -10.016
144 HB2 CYS 20 1HB CYS 20 -6.254 12.970 -9.262
145 HB3 CYS 20 2HB CYS 20 -5.666 14.165 -10.422
146 H ASN 21 H ASN 21 -3.502 15.603 -9.643
147 HA ASN 21 HA ASN 21 -3.322 16.470 -6.861
148 HB2 ASN 21 1HB ASN 21 -1.837 17.476 -8.553
149 HB3 ASN 21 2HB ASN 21 -3.225 17.912 -9.548
150 HD21 ASN 21 2HD2 ASN 21 -3.665 19.950 -9.545
151 HD22 ASN 21 1HD2 ASN 21 -3.527 21.007 -8.154
152 HXT ASN 21 H02 ASN 21 -6.353 17.701 -6.342
153 H1 PHE 1 3H0 PHE 1 -9.042 2.933 -21.968
154 H2 PHE 1 2H0 PHE 1 -8.369 2.104 -23.226
155 H3 PHE 1 1H0 PHE 1 -9.122 1.284 -22.010
156 HA PHE 1 HA PHE 1 -6.643 2.855 -21.757
157 HB2 PHE 1 1HB PHE 1 -8.249 2.838 -19.777
158 HB3 PHE 1 2HB PHE 1 -8.003 1.091 -19.686
159 HD1 PHE 1 HD2 PHE 1 -6.301 4.404 -19.427
160 HD2 PHE 1 HD1 PHE 1 -6.039 0.171 -18.640
161 HE1 PHE 1 HE2 PHE 1 -4.260 4.788 -18.060
162 HE2 PHE 1 HE1 PHE 1 -3.996 0.557 -17.266
163 HZ PHE 1 HZ PHE 1 -3.095 2.866 -16.994
164 H VAL 2 H VAL 2 -4.698 1.547 -21.577
165 HA VAL 2 HA VAL 2 -5.107 -1.237 -22.606
166 HB VAL 2 HB VAL 2 -2.652 0.580 -22.846
167 HG11 VAL 2 1HG1 VAL 2 -2.036 -1.813 -22.739
168 HG12 VAL 2 2HG1 VAL 2 -3.219 -2.188 -24.016
169 HG13 VAL 2 3HG1 VAL 2 -1.796 -1.187 -24.381
170 HG21 VAL 2 3HG2 VAL 2 -4.729 -0.252 -24.926
171 HG22 VAL 2 1HG2 VAL 2 -4.438 1.392 -24.308
172 HG23 VAL 2 2HG2 VAL 2 -3.204 0.588 -25.292
173 H ASN 3 H ASN 3 -4.655 -2.813 -21.161
174 HA ASN 3 HA ASN 3 -3.646 -2.060 -18.544
175 HB2 ASN 3 1HB ASN 3 -4.250 -4.756 -19.805
176 HB3 ASN 3 2HB ASN 3 -3.668 -4.548 -18.149
177 HD21 ASN 3 2HD2 ASN 3 -6.222 -5.649 -19.149
178 HD22 ASN 3 1HD2 ASN 3 -7.467 -4.680 -18.399
179 H GLN 4 H GLN 4 -1.650 -2.024 -17.842
180 HA GLN 4 HA GLN 4 0.255 -4.047 -18.633
181 HB2 GLN 4 1HB GLN 4 2.005 -2.441 -19.355
182 HB3 GLN 4 2HB GLN 4 0.650 -2.482 -20.485
183 HG2 GLN 4 1HG GLN 4 -0.251 -0.409 -19.428
184 HG3 GLN 4 2HG GLN 4 1.189 -0.356 -18.410
185 HE21 GLN 4 2HE2 GLN 4 -0.041 -0.117 -21.689
186 HE22 GLN 4 1HE2 GLN 4 1.334 0.741 -22.342
187 H HIS 5 H HIS 5 1.911 -4.069 -17.074
188 HA HIS 5 HA HIS 5 1.355 -2.816 -14.501
189 HB2 HIS 5 1HB HIS 5 3.936 -4.076 -15.526
190 HB3 HIS 5 2HB HIS 5 3.536 -3.721 -13.841
191 HD1 HIS 5 HD1 HIS 5 0.828 -4.904 -13.435
192 HD2 HIS 5 HD2 HIS 5 3.712 -6.789 -15.727
193 HE1 HIS 5 HE1 HIS 5 0.214 -7.391 -13.517
194 HE2 HIS 5 HE2 HIS 5 2.000 -8.511 -14.901
195 H LEU 6 H LEU 6 2.365 -0.953 -13.613
196 HA LEU 6 HA LEU 6 3.971 0.671 -15.567
197 HB2 LEU 6 1HB LEU 6 1.730 1.603 -13.749
198 HB3 LEU 6 2HB LEU 6 2.782 2.654 -14.669
199 HG LEU 6 HG LEU 6 0.784 0.723 -15.873
200 HD11 LEU 6 1HD1 LEU 6 -0.213 2.638 -14.614
201 HD12 LEU 6 2HD1 LEU 6 -0.529 2.720 -16.354
202 HD13 LEU 6 3HD1 LEU 6 0.719 3.754 -15.620
203 HD21 LEU 6 3HD2 LEU 6 1.180 1.939 -17.962
204 HD22 LEU 6 1HD2 LEU 6 2.688 1.200 -17.396
205 HD23 LEU 6 2HD2 LEU 6 2.397 2.947 -17.167
206 H CYS 7 H CYS 7 5.965 0.839 -14.662
207 HA CYS 7 HA CYS 7 6.046 1.432 -11.728
208 HB2 CYS 7 1HB CYS 7 6.517 -1.002 -12.401
209 HB3 CYS 7 2HB CYS 7 8.041 -0.400 -13.066
210 H GLY 8 H GLY 8 7.849 1.588 -14.804
211 HA2 GLY 8 1HA GLY 8 9.802 3.444 -13.613
212 HA3 GLY 8 2HA GLY 8 9.795 2.812 -15.270
213 H SER 9 H SER 9 9.994 4.770 -16.329
214 HA SER 9 HA SER 9 8.583 7.158 -15.849
215 HB2 SER 9 1HB SER 9 8.956 7.460 -18.381
216 HB3 SER 9 2HB SER 9 10.399 7.169 -17.379
217 HG SER 9 HG SER 9 10.280 5.850 -19.297
218 H HIS 10 H HIS 10 7.503 4.187 -17.331
219 HA HIS 10 HA HIS 10 5.267 5.011 -18.816
220 HB2 HIS 10 1HB HIS 10 5.793 2.565 -17.090
221 HB3 HIS 10 2HB HIS 10 4.300 2.786 -17.992
222 HD1 HIS 10 HD1 HIS 10 4.232 1.548 -20.116
223 HD2 HIS 10 HD2 HIS 10 8.084 2.942 -19.177
224 HE1 HIS 10 HE1 HIS 10 5.751 0.854 -22.011
225 HE2 HIS 10 HE2 HIS 10 8.078 1.696 -21.454
226 H LEU 11 H LEU 11 5.582 4.651 -15.268
227 HA LEU 11 HA LEU 11 2.751 4.772 -14.778
228 HB2 LEU 11 1HB LEU 11 4.441 3.848 -13.221
229 HB3 LEU 11 2HB LEU 11 5.121 5.450 -12.999
230 HG LEU 11 HG LEU 11 3.210 6.193 -11.763
231 HD11 LEU 11 1HD1 LEU 11 1.302 4.733 -11.235
232 HD12 LEU 11 2HD1 LEU 11 1.930 3.499 -12.350
233 HD13 LEU 11 3HD1 LEU 11 1.392 5.082 -12.967
234 HD21 LEU 11 3HD2 LEU 11 3.369 4.697 -9.852
235 HD22 LEU 11 1HD2 LEU 11 4.957 4.790 -10.646
236 HD23 LEU 11 2HD2 LEU 11 3.925 3.361 -10.891
237 H VAL 12 H VAL 12 5.351 7.208 -14.805
238 HA VAL 12 HA VAL 12 3.669 9.395 -14.015
239 HB VAL 12 HB VAL 12 6.280 9.413 -15.603
240 HG11 VAL 12 1HG1 VAL 12 5.001 11.576 -13.905
241 HG12 VAL 12 2HG1 VAL 12 6.571 11.681 -14.732
242 HG13 VAL 12 3HG1 VAL 12 5.075 11.559 -15.680
243 HG21 VAL 12 3HG2 VAL 12 6.630 8.198 -13.529
244 HG22 VAL 12 1HG2 VAL 12 7.339 9.813 -13.356
245 HG23 VAL 12 2HG2 VAL 12 5.770 9.451 -12.601
246 H GLU 13 H GLU 13 4.699 8.072 -17.170
247 HA GLU 13 HA GLU 13 3.581 10.151 -18.779
248 HB2 GLU 13 1HB GLU 13 4.145 7.224 -19.306
249 HB3 GLU 13 2HB GLU 13 3.586 8.339 -20.559
250 HG2 GLU 13 1HG GLU 13 5.574 9.683 -20.362
251 HG3 GLU 13 2HG GLU 13 6.106 8.793 -18.933
252 HE2 GLU 13 HE2 GLU 13 7.204 7.614 -22.398
253 H ALA 14 H ALA 14 2.169 7.236 -17.332
254 HA ALA 14 HA ALA 14 -0.282 7.387 -18.865
255 HB1 ALA 14 3HB ALA 14 0.559 5.308 -17.822
256 HB2 ALA 14 1HB ALA 14 0.317 6.032 -16.212
257 HB3 ALA 14 2HB ALA 14 -1.082 5.716 -17.268
258 H LEU 15 H LEU 15 0.884 8.744 -15.813
259 HA LEU 15 HA LEU 15 -1.687 9.477 -14.810
260 HB2 LEU 15 1HB LEU 15 1.123 10.442 -14.260
261 HB3 LEU 15 2HB LEU 15 -0.279 11.153 -13.468
262 HG LEU 15 HG LEU 15 0.371 8.205 -13.325
263 HD11 LEU 15 1HD1 LEU 15 1.225 8.571 -11.099
264 HD12 LEU 15 2HD1 LEU 15 0.900 10.313 -11.213
265 HD13 LEU 15 3HD1 LEU 15 2.149 9.571 -12.238
266 HD21 LEU 15 3HD2 LEU 15 -1.958 8.725 -12.983
267 HD22 LEU 15 1HD2 LEU 15 -1.527 10.003 -11.829
268 HD23 LEU 15 2HD2 LEU 15 -1.206 8.293 -11.450
269 H TYR 16 H TYR 16 0.482 11.077 -17.095
270 HA TYR 16 HA TYR 16 -0.788 13.646 -17.031
271 HB2 TYR 16 1HB TYR 16 0.640 12.102 -19.223
272 HB3 TYR 16 2HB TYR 16 -0.084 13.686 -19.513
273 HD1 TYR 16 HD1 TYR 16 0.727 15.708 -18.217
274 HD2 TYR 16 HD2 TYR 16 2.784 11.935 -18.126
275 HE1 TYR 16 HE1 TYR 16 2.778 16.839 -17.349
276 HE2 TYR 16 HE2 TYR 16 4.839 13.078 -17.295
277 HH TYR 16 HH TYR 16 5.789 15.059 -16.657
278 H LEU 17 H LEU 17 -1.605 10.600 -18.684
279 HA LEU 17 HA LEU 17 -3.708 11.769 -20.270
280 HB2 LEU 17 1HB LEU 17 -3.365 8.904 -19.346
281 HB3 LEU 17 2HB LEU 17 -4.410 9.471 -20.631
282 HG LEU 17 HG LEU 17 -1.376 9.634 -20.691
283 HD11 LEU 17 1HD1 LEU 17 -3.243 7.581 -21.950
284 HD12 LEU 17 2HD1 LEU 17 -2.167 7.296 -20.560
285 HD13 LEU 17 3HD1 LEU 17 -1.477 7.663 -22.156
286 HD21 LEU 17 3HD2 LEU 17 -2.451 11.251 -22.190
287 HD22 LEU 17 1HD2 LEU 17 -3.468 9.965 -22.883
288 HD23 LEU 17 2HD2 LEU 17 -1.705 9.943 -23.127
289 H VAL 18 H VAL 18 -3.671 9.918 -17.211
290 HA VAL 18 HA VAL 18 -6.564 9.801 -17.129
291 HB VAL 18 HB VAL 18 -4.487 9.154 -14.983
292 HG11 VAL 18 1HG1 VAL 18 -7.454 8.466 -15.162
293 HG12 VAL 18 2HG1 VAL 18 -6.315 7.765 -13.988
294 HG13 VAL 18 3HG1 VAL 18 -6.671 9.499 -13.944
295 HG21 VAL 18 3HG2 VAL 18 -4.128 7.734 -16.886
296 HG22 VAL 18 1HG2 VAL 18 -5.045 6.776 -15.714
297 HG23 VAL 18 2HG2 VAL 18 -5.874 7.480 -17.116
298 H CYS 19 H CYS 19 -4.090 11.755 -15.443
299 HA CYS 19 HA CYS 19 -6.201 13.111 -13.917
300 HB2 CYS 19 1HB CYS 19 -3.226 13.647 -14.096
301 HB3 CYS 19 2HB CYS 19 -4.354 14.368 -12.936
302 H GLY 20 H GLY 20 -4.813 13.438 -17.038
303 HA2 GLY 20 1HA GLY 20 -4.984 15.127 -18.584
304 HA3 GLY 20 2HA GLY 20 -6.489 15.522 -17.745
305 H GLU 21 H GLU 21 -6.539 17.632 -17.816
306 HA GLU 21 HA GLU 21 -4.226 19.310 -17.475
307 HB2 GLU 21 1HB GLU 21 -5.738 21.137 -17.726
308 HB3 GLU 21 2HB GLU 21 -6.214 19.877 -18.863
309 HG2 GLU 21 1HG GLU 21 -7.622 20.128 -16.182
310 HG3 GLU 21 2HG GLU 21 -8.043 21.183 -17.531
311 HE2 GLU 21 HE2 GLU 21 -9.906 18.895 -19.065
312 H ARG 22 H ARG 22 -5.961 17.656 -15.073
313 HA ARG 22 HA ARG 22 -6.036 19.867 -13.142
314 HB2 ARG 22 1HB ARG 22 -6.497 16.889 -12.823
315 HB3 ARG 22 2HB ARG 22 -6.588 18.053 -11.505
316 HG2 ARG 22 1HG ARG 22 -8.815 17.948 -12.060
317 HG3 ARG 22 2HG ARG 22 -8.311 19.305 -13.078
318 HD2 ARG 22 1HD ARG 22 -9.722 17.803 -14.372
319 HD3 ARG 22 2HD ARG 22 -8.063 17.708 -14.996
320 HE ARG 22 HE ARG 22 -8.482 15.742 -12.969
321 HH11 ARG 22 1HH1 ARG 22 -9.149 16.333 -16.392
322 HH12 ARG 22 2HH1 ARG 22 -9.274 14.626 -16.741
323 HH21 ARG 22 1HH2 ARG 22 -8.679 13.609 -13.494
324 HH22 ARG 22 2HH2 ARG 22 -8.967 13.110 -15.136
325 H GLY 23 H GLY 23 -3.722 17.583 -14.253
326 HA2 GLY 23 1HA GLY 23 -1.460 17.508 -13.685
327 HA3 GLY 23 2HA GLY 23 -1.764 18.609 -12.326
328 H PHE 24 H PHE 24 -0.094 16.601 -11.767
329 HA PHE 24 HA PHE 24 -1.608 14.943 -9.892
330 HB2 PHE 24 1HB PHE 24 -0.854 12.825 -10.768
331 HB3 PHE 24 2HB PHE 24 -1.745 13.678 -12.022
332 HD1 PHE 24 HD2 PHE 24 1.563 12.523 -10.932
333 HD2 PHE 24 HD1 PHE 24 -0.666 14.475 -14.039
334 HE1 PHE 24 HE2 PHE 24 3.465 12.219 -12.460
335 HE2 PHE 24 HE1 PHE 24 1.248 14.186 -15.588
336 HZ PHE 24 HZ PHE 24 3.325 13.062 -14.815
337 H PHE 25 H PHE 25 0.021 13.421 -8.777
338 HA PHE 25 HA PHE 25 2.724 14.679 -8.660
339 HB2 PHE 25 1HB PHE 25 2.704 14.421 -6.212
340 HB3 PHE 25 2HB PHE 25 1.436 15.536 -6.738
341 HD1 PHE 25 HD2 PHE 25 2.134 12.169 -5.352
342 HD2 PHE 25 HD1 PHE 25 -0.924 14.979 -6.486
343 HE1 PHE 25 HE2 PHE 25 0.437 10.795 -4.163
344 HE2 PHE 25 HE1 PHE 25 -2.633 13.604 -5.319
345 HZ PHE 25 HZ PHE 25 -1.950 11.497 -4.154
346 H TYR 26 H TYR 26 4.303 13.103 -7.754
347 HA TYR 26 HA TYR 26 3.426 10.284 -7.749
348 HB2 TYR 26 1HB TYR 26 3.913 10.591 -10.105
349 HB3 TYR 26 2HB TYR 26 5.405 11.468 -9.733
350 HD1 TYR 26 HD2 TYR 26 3.886 8.134 -8.759
351 HD2 TYR 26 HD1 TYR 26 7.366 10.281 -10.109
352 HE1 TYR 26 HE2 TYR 26 5.206 6.026 -8.743
353 HE2 TYR 26 HE1 TYR 26 8.658 8.156 -10.143
354 HH TYR 26 HH TYR 26 8.620 5.937 -9.851
355 H THR 27 H THR 27 4.744 9.074 -6.435
356 HA THR 27 HA THR 27 6.854 10.585 -4.992
357 HB THR 27 HB THR 27 6.628 8.754 -3.296
358 HG1 THR 27 HG1 THR 27 5.815 7.221 -4.886
359 HG21 THR 27 1HG2 THR 27 3.927 9.989 -4.025
360 HG22 THR 27 2HG2 THR 27 5.223 10.853 -3.161
361 HG23 THR 27 3HG2 THR 27 4.455 9.430 -2.425
362 HA PRO 28 HA PRO 28 9.282 7.848 -7.647
363 HB2 PRO 28 1HB PRO 28 11.676 9.130 -7.544
364 HB3 PRO 28 2HB PRO 28 10.301 9.782 -8.496
365 HG2 PRO 28 1HG PRO 28 11.177 10.506 -5.714
366 HG3 PRO 28 2HG PRO 28 10.863 11.583 -7.110
367 HD2 PRO 28 1HD PRO 28 8.999 11.134 -5.199
368 HD3 PRO 28 2HD PRO 28 8.548 11.331 -6.928
369 H LYS 29 H LYS 29 11.268 6.512 -7.335
370 HA LYS 29 HA LYS 29 11.476 5.633 -4.522
371 HB2 LYS 29 1HB LYS 29 12.714 4.581 -7.110
372 HB3 LYS 29 2HB LYS 29 13.003 3.892 -5.511
373 HG2 LYS 29 1HG LYS 29 11.380 2.467 -6.229
374 HG3 LYS 29 2HG LYS 29 10.350 3.688 -5.461
375 HD2 LYS 29 1HD LYS 29 9.896 4.710 -7.653
376 HD3 LYS 29 2HD LYS 29 11.033 3.592 -8.436
377 HE2 LYS 29 1HE LYS 29 9.631 1.681 -7.768
378 HE3 LYS 29 2HE LYS 29 8.503 2.783 -6.953
379 HZ1 LYS 29 3HZ LYS 29 9.088 2.796 -9.865
380 HZ2 LYS 29 1HZ LYS 29 8.028 3.798 -9.098
381 HZ3 LYS 29 2HZ LYS 29 7.732 2.178 -9.168
382 H THR 30 H THR 30 12.602 7.278 -3.479
383 HA THR 30 HA THR 30 15.052 8.364 -4.675
384 HB THR 30 HB THR 30 15.139 9.673 -2.495
385 HG1 THR 30 HG1 THR 30 14.002 8.224 -1.172
386 HG21 THR 30 1HG2 THR 30 12.408 9.788 -3.911
387 HG22 THR 30 2HG2 THR 30 13.888 10.527 -4.562
388 HG23 THR 30 3HG2 THR 30 13.205 11.095 -3.030
389 HXT THR 30 H02 THR 30 16.042 5.819 -1.942
Start of MODEL 38
1 H1 GLY 1 3H0 GLY 1 2.361 -1.686 -1.619
2 H2 GLY 1 2H0 GLY 1 1.680 -1.561 -0.120
3 H3 GLY 1 1H0 GLY 1 0.735 -1.890 -1.435
4 HA2 GLY 1 1HA GLY 1 0.492 0.400 -0.724
5 HA3 GLY 1 2HA GLY 1 2.232 0.609 -1.013
6 H ILE 2 H ILE 2 0.244 2.182 -2.357
7 HA ILE 2 HA ILE 2 -0.759 1.007 -4.677
8 HB ILE 2 HB ILE 2 -1.457 3.182 -3.644
9 HG12 ILE 2 1HG1 ILE 2 -0.924 3.245 -6.630
10 HG13 ILE 2 2HG1 ILE 2 -2.204 2.321 -5.847
11 HG21 ILE 2 1HG2 ILE 2 0.848 4.428 -5.228
12 HG22 ILE 2 2HG2 ILE 2 -0.338 5.270 -4.212
13 HG23 ILE 2 3HG2 ILE 2 0.860 4.201 -3.463
14 HD11 ILE 2 3HD1 ILE 2 -3.115 4.487 -4.948
15 HD12 ILE 2 1HD1 ILE 2 -1.927 5.333 -5.977
16 HD13 ILE 2 2HD1 ILE 2 -3.171 4.304 -6.712
17 H VAL 3 H VAL 3 2.458 2.496 -4.282
18 HA VAL 3 HA VAL 3 3.022 2.433 -7.085
19 HB VAL 3 HB VAL 3 4.256 3.894 -5.578
20 HG11 VAL 3 1HG1 VAL 3 5.906 3.094 -3.991
21 HG12 VAL 3 2HG1 VAL 3 4.320 2.412 -3.586
22 HG13 VAL 3 3HG1 VAL 3 5.546 1.406 -4.400
23 HG21 VAL 3 3HG2 VAL 3 6.117 1.838 -6.848
24 HG22 VAL 3 1HG2 VAL 3 5.289 3.147 -7.717
25 HG23 VAL 3 2HG2 VAL 3 6.496 3.539 -6.474
26 H GLU 4 H GLU 4 3.407 -0.027 -4.508
27 HA GLU 4 HA GLU 4 4.856 -1.847 -6.256
28 HB2 GLU 4 1HB GLU 4 3.217 -2.323 -3.733
29 HB3 GLU 4 2HB GLU 4 4.060 -3.596 -4.613
30 HG2 GLU 4 1HG GLU 4 5.529 -3.057 -2.887
31 HG3 GLU 4 2HG GLU 4 6.194 -2.219 -4.295
32 HE2 GLU 4 HE2 GLU 4 7.191 -0.973 -2.975
33 H GLN 5 H GLN 5 1.444 -1.347 -5.322
34 HA GLN 5 HA GLN 5 0.339 -3.558 -6.697
35 HB2 GLN 5 1HB GLN 5 -0.585 -1.016 -5.535
36 HB3 GLN 5 2HB GLN 5 -1.564 -1.548 -6.901
37 HG2 GLN 5 1HG GLN 5 -2.516 -2.363 -4.810
38 HG3 GLN 5 2HG GLN 5 -1.958 -3.712 -5.808
39 HE21 GLN 5 2HE2 GLN 5 -0.925 -5.253 -4.765
40 HE22 GLN 5 1HE2 GLN 5 -0.024 -5.064 -3.280
41 H CYS 6 H CYS 6 1.146 -0.274 -7.892
42 HA CYS 6 HA CYS 6 0.076 -0.914 -10.534
43 HB2 CYS 6 1HB CYS 6 1.598 1.402 -9.344
44 HB3 CYS 6 2HB CYS 6 1.376 1.262 -11.097
45 H CYS 7 H CYS 7 3.286 -1.007 -9.007
46 HA CYS 7 HA CYS 7 4.690 -1.163 -11.510
47 HB2 CYS 7 1HB CYS 7 5.612 -0.400 -9.287
48 HB3 CYS 7 2HB CYS 7 5.625 -2.088 -8.777
49 H THR 8 H THR 8 3.932 -3.646 -8.999
50 HA THR 8 HA THR 8 5.018 -5.712 -10.784
51 HB THR 8 HB THR 8 5.359 -5.536 -8.208
52 HG1 THR 8 HG1 THR 8 4.638 -7.941 -9.555
53 HG21 THR 8 1HG2 THR 8 2.820 -7.211 -8.186
54 HG22 THR 8 2HG2 THR 8 2.845 -5.500 -7.707
55 HG23 THR 8 3HG2 THR 8 3.803 -6.689 -6.804
56 H SER 9 H SER 9 1.895 -4.414 -10.089
57 HA SER 9 HA SER 9 0.714 -6.650 -11.640
58 HB2 SER 9 1HB SER 9 -1.270 -6.614 -10.022
59 HB3 SER 9 2HB SER 9 0.223 -7.328 -9.393
60 HG SER 9 HG SER 9 -0.295 -4.587 -8.956
61 H ILE 10 H ILE 10 -1.914 -5.812 -11.731
62 HA ILE 10 HA ILE 10 -1.400 -3.890 -13.813
63 HB ILE 10 HB ILE 10 -3.973 -5.149 -12.805
64 HG12 ILE 10 1HG1 ILE 10 -2.325 -6.713 -13.784
65 HG13 ILE 10 2HG1 ILE 10 -3.807 -6.602 -14.725
66 HG21 ILE 10 1HG2 ILE 10 -4.958 -4.377 -15.005
67 HG22 ILE 10 2HG2 ILE 10 -4.639 -3.081 -13.840
68 HG23 ILE 10 3HG2 ILE 10 -3.528 -3.329 -15.208
69 HD11 ILE 10 3HD1 ILE 10 -1.201 -5.202 -15.442
70 HD12 ILE 10 1HD1 ILE 10 -1.785 -6.721 -16.144
71 HD13 ILE 10 2HD1 ILE 10 -2.684 -5.223 -16.406
72 H CYS 11 H CYS 11 -1.394 -1.814 -13.797
73 HA CYS 11 HA CYS 11 -2.606 -0.354 -11.522
74 HB2 CYS 11 1HB CYS 11 -0.245 0.028 -12.507
75 HB3 CYS 11 2HB CYS 11 -1.067 0.763 -13.872
76 H SER 12 H SER 12 -4.809 -0.393 -11.923
77 HA SER 12 HA SER 12 -5.888 0.017 -14.604
78 HB2 SER 12 1HB SER 12 -8.058 0.001 -13.464
79 HB3 SER 12 2HB SER 12 -7.051 -1.338 -12.871
80 HG SER 12 HG SER 12 -7.812 -0.405 -11.061
81 H LEU 13 H LEU 13 -7.486 1.873 -14.982
82 HA LEU 13 HA LEU 13 -6.155 4.352 -14.621
83 HB2 LEU 13 1HB LEU 13 -8.053 5.376 -15.620
84 HB3 LEU 13 2HB LEU 13 -7.762 3.845 -16.425
85 HG LEU 13 HG LEU 13 -9.652 3.058 -14.636
86 HD11 LEU 13 1HD1 LEU 13 -10.006 5.298 -13.700
87 HD12 LEU 13 2HD1 LEU 13 -11.432 4.799 -14.625
88 HD13 LEU 13 3HD1 LEU 13 -10.286 5.963 -15.329
89 HD21 LEU 13 3HD2 LEU 13 -10.144 4.361 -17.339
90 HD22 LEU 13 1HD2 LEU 13 -11.244 3.244 -16.501
91 HD23 LEU 13 2HD2 LEU 13 -9.661 2.669 -17.059
92 H TYR 14 H TYR 14 -8.477 2.663 -12.596
93 HA TYR 14 HA TYR 14 -9.246 4.905 -10.991
94 HB2 TYR 14 1HB TYR 14 -9.074 2.021 -10.107
95 HB3 TYR 14 2HB TYR 14 -10.183 3.267 -9.531
96 HD1 TYR 14 HD2 TYR 14 -11.771 4.296 -11.457
97 HD2 TYR 14 HD1 TYR 14 -9.805 0.473 -11.679
98 HE1 TYR 14 HE2 TYR 14 -13.400 3.552 -13.201
99 HE2 TYR 14 HE1 TYR 14 -11.435 -0.258 -13.433
100 HH TYR 14 HH TYR 14 -13.305 0.298 -14.647
101 H GLN 15 H GLN 15 -6.613 2.525 -10.819
102 HA GLN 15 HA GLN 15 -5.604 3.396 -8.249
103 HB2 GLN 15 1HB GLN 15 -4.254 1.993 -10.588
104 HB3 GLN 15 2HB GLN 15 -3.504 2.247 -9.012
105 HG2 GLN 15 1HG GLN 15 -6.117 0.735 -9.339
106 HG3 GLN 15 2HG GLN 15 -4.534 -0.051 -9.453
107 HE21 GLN 15 2HE2 GLN 15 -7.018 0.714 -7.371
108 HE22 GLN 15 1HE2 GLN 15 -6.150 0.566 -5.864
109 H LEU 16 H LEU 16 -5.022 4.283 -11.666
110 HA LEU 16 HA LEU 16 -2.907 6.127 -11.119
111 HB2 LEU 16 1HB LEU 16 -4.899 5.950 -13.380
112 HB3 LEU 16 2HB LEU 16 -3.580 7.115 -13.348
113 HG LEU 16 HG LEU 16 -3.157 4.112 -13.182
114 HD11 LEU 16 1HD1 LEU 16 -4.217 4.709 -15.322
115 HD12 LEU 16 2HD1 LEU 16 -2.541 4.181 -15.529
116 HD13 LEU 16 3HD1 LEU 16 -2.938 5.912 -15.613
117 HD21 LEU 16 3HD2 LEU 16 -1.288 5.470 -12.323
118 HD22 LEU 16 1HD2 LEU 16 -1.260 6.399 -13.840
119 HD23 LEU 16 2HD2 LEU 16 -0.858 4.670 -13.841
120 H GLU 17 H GLU 17 -6.465 6.551 -11.133
121 HA GLU 17 HA GLU 17 -6.461 9.386 -10.844
122 HB2 GLU 17 1HB GLU 17 -8.381 7.230 -9.930
123 HB3 GLU 17 2HB GLU 17 -8.691 8.944 -9.660
124 HG2 GLU 17 1HG GLU 17 -8.665 9.375 -12.041
125 HG3 GLU 17 2HG GLU 17 -8.248 7.701 -12.379
126 HE2 GLU 17 HE2 GLU 17 -11.931 8.703 -12.015
127 H ASN 18 H ASN 18 -5.724 6.861 -8.500
128 HA ASN 18 HA ASN 18 -6.185 8.528 -6.171
129 HB2 ASN 18 1HB ASN 18 -4.862 5.887 -6.665
130 HB3 ASN 18 2HB ASN 18 -4.528 6.740 -5.158
131 HD21 ASN 18 2HD2 ASN 18 -7.295 5.741 -7.210
132 HD22 ASN 18 1HD2 ASN 18 -8.326 5.364 -5.850
133 H TYR 19 H TYR 19 -3.491 8.191 -8.410
134 HA TYR 19 HA TYR 19 -1.523 9.474 -6.634
135 HB2 TYR 19 1HB TYR 19 -1.626 8.940 -9.596
136 HB3 TYR 19 2HB TYR 19 -0.256 9.697 -8.816
137 HD1 TYR 19 HD1 TYR 19 1.262 8.407 -7.379
138 HD2 TYR 19 HD2 TYR 19 -2.035 6.551 -9.390
139 HE1 TYR 19 HE1 TYR 19 2.293 6.173 -7.024
140 HE2 TYR 19 HE2 TYR 19 -1.008 4.322 -9.039
141 HH TYR 19 HH TYR 19 0.720 3.161 -8.149
142 H CYS 20 H CYS 20 -4.202 10.520 -8.478
143 HA CYS 20 HA CYS 20 -3.054 12.824 -9.746
144 HB2 CYS 20 1HB CYS 20 -5.276 11.436 -10.175
145 HB3 CYS 20 2HB CYS 20 -5.973 12.648 -9.098
146 H ASN 21 H ASN 21 -3.289 15.027 -9.239
147 HA ASN 21 HA ASN 21 -3.019 15.605 -6.429
148 HB2 ASN 21 1HB ASN 21 -1.969 16.948 -8.367
149 HB3 ASN 21 2HB ASN 21 -3.556 17.684 -8.597
150 HD21 ASN 21 2HD2 ASN 21 -3.715 19.599 -7.618
151 HD22 ASN 21 1HD2 ASN 21 -2.961 20.011 -6.100
152 HXT ASN 21 H02 ASN 21 -6.729 16.310 -7.171
153 H1 PHE 1 3H0 PHE 1 -9.782 2.468 -21.821
154 H2 PHE 1 2H0 PHE 1 -9.160 3.976 -22.077
155 H3 PHE 1 1H0 PHE 1 -8.878 2.768 -23.166
156 HA PHE 1 HA PHE 1 -6.913 3.136 -21.859
157 HB2 PHE 1 1HB PHE 1 -8.324 3.983 -19.901
158 HB3 PHE 1 2HB PHE 1 -8.629 2.292 -19.495
159 HD1 PHE 1 HD2 PHE 1 -5.921 4.842 -19.925
160 HD2 PHE 1 HD1 PHE 1 -7.022 1.027 -18.250
161 HE1 PHE 1 HE2 PHE 1 -3.776 4.778 -18.668
162 HE2 PHE 1 HE1 PHE 1 -4.871 0.962 -16.988
163 HZ PHE 1 HZ PHE 1 -3.242 2.830 -17.211
164 H VAL 2 H VAL 2 -5.528 1.282 -21.192
165 HA VAL 2 HA VAL 2 -6.865 -1.359 -21.518
166 HB VAL 2 HB VAL 2 -5.866 -0.665 -23.736
167 HG11 VAL 2 1HG1 VAL 2 -3.446 -0.541 -24.030
168 HG12 VAL 2 2HG1 VAL 2 -3.967 0.688 -22.861
169 HG13 VAL 2 3HG1 VAL 2 -3.184 -0.808 -22.294
170 HG21 VAL 2 3HG2 VAL 2 -4.697 -2.757 -24.172
171 HG22 VAL 2 1HG2 VAL 2 -4.410 -3.008 -22.436
172 HG23 VAL 2 2HG2 VAL 2 -6.070 -3.060 -23.091
173 H ASN 3 H ASN 3 -5.854 -2.994 -20.255
174 HA ASN 3 HA ASN 3 -4.516 -1.928 -17.935
175 HB2 ASN 3 1HB ASN 3 -4.345 -4.197 -17.154
176 HB3 ASN 3 2HB ASN 3 -5.995 -3.921 -17.759
177 HD21 ASN 3 2HD2 ASN 3 -6.581 -4.949 -19.780
178 HD22 ASN 3 1HD2 ASN 3 -5.675 -6.328 -20.346
179 H GLN 4 H GLN 4 -2.469 -1.995 -17.296
180 HA GLN 4 HA GLN 4 -0.539 -3.740 -18.525
181 HB2 GLN 4 1HB GLN 4 1.029 -1.804 -19.097
182 HB3 GLN 4 2HB GLN 4 -0.288 -2.114 -20.227
183 HG2 GLN 4 1HG GLN 4 -1.586 -0.257 -19.140
184 HG3 GLN 4 2HG GLN 4 -0.146 0.123 -18.198
185 HE21 GLN 4 2HE2 GLN 4 -1.857 0.719 -20.999
186 HE22 GLN 4 1HE2 GLN 4 -0.595 1.509 -21.920
187 H HIS 5 H HIS 5 1.243 -3.903 -17.163
188 HA HIS 5 HA HIS 5 1.071 -2.809 -14.446
189 HB2 HIS 5 1HB HIS 5 3.479 -4.002 -15.896
190 HB3 HIS 5 2HB HIS 5 3.306 -3.762 -14.154
191 HD1 HIS 5 HD1 HIS 5 0.707 -5.015 -13.447
192 HD2 HIS 5 HD2 HIS 5 3.224 -6.687 -16.277
193 HE1 HIS 5 HE1 HIS 5 0.103 -7.504 -13.615
194 HE2 HIS 5 HE2 HIS 5 1.657 -8.491 -15.339
195 H LEU 6 H LEU 6 2.222 -0.962 -13.677
196 HA LEU 6 HA LEU 6 3.654 0.632 -15.765
197 HB2 LEU 6 1HB LEU 6 1.374 1.532 -13.990
198 HB3 LEU 6 2HB LEU 6 2.476 2.648 -14.776
199 HG LEU 6 HG LEU 6 0.706 0.700 -16.268
200 HD11 LEU 6 1HD1 LEU 6 -0.662 2.326 -15.094
201 HD12 LEU 6 2HD1 LEU 6 -0.631 2.716 -16.819
202 HD13 LEU 6 3HD1 LEU 6 0.360 3.651 -15.675
203 HD21 LEU 6 3HD2 LEU 6 1.240 2.227 -18.194
204 HD22 LEU 6 1HD2 LEU 6 2.642 1.334 -17.588
205 HD23 LEU 6 2HD2 LEU 6 2.420 3.052 -17.161
206 H CYS 7 H CYS 7 5.596 1.127 -15.057
207 HA CYS 7 HA CYS 7 5.929 1.944 -12.226
208 HB2 CYS 7 1HB CYS 7 6.433 -0.604 -12.833
209 HB3 CYS 7 2HB CYS 7 7.938 0.072 -13.465
210 H GLY 8 H GLY 8 7.989 3.140 -11.932
211 HA2 GLY 8 1HA GLY 8 9.544 4.701 -12.618
212 HA3 GLY 8 2HA GLY 8 9.738 3.722 -14.081
213 H SER 9 H SER 9 9.946 5.422 -15.510
214 HA SER 9 HA SER 9 8.309 7.712 -15.623
215 HB2 SER 9 1HB SER 9 9.167 6.807 -18.244
216 HB3 SER 9 2HB SER 9 9.765 8.173 -17.266
217 HG SER 9 HG SER 9 11.450 6.734 -17.493
218 H HIS 10 H HIS 10 7.644 4.429 -16.793
219 HA HIS 10 HA HIS 10 5.597 5.147 -18.681
220 HB2 HIS 10 1HB HIS 10 6.473 2.695 -17.264
221 HB3 HIS 10 2HB HIS 10 4.762 2.730 -17.683
222 HD1 HIS 10 HD1 HIS 10 4.098 2.490 -20.176
223 HD2 HIS 10 HD2 HIS 10 8.239 2.665 -19.512
224 HE1 HIS 10 HE1 HIS 10 5.233 1.850 -22.369
225 HE2 HIS 10 HE2 HIS 10 7.726 1.960 -21.950
226 H LEU 11 H LEU 11 5.583 4.664 -15.155
227 HA LEU 11 HA LEU 11 2.718 4.739 -14.873
228 HB2 LEU 11 1HB LEU 11 4.306 3.859 -13.173
229 HB3 LEU 11 2HB LEU 11 4.939 5.476 -12.936
230 HG LEU 11 HG LEU 11 2.789 6.201 -11.984
231 HD11 LEU 11 1HD1 LEU 11 2.001 3.277 -12.247
232 HD12 LEU 11 2HD1 LEU 11 1.278 4.640 -13.132
233 HD13 LEU 11 3HD1 LEU 11 1.094 4.536 -11.374
234 HD21 LEU 11 3HD2 LEU 11 3.047 4.996 -9.880
235 HD22 LEU 11 1HD2 LEU 11 4.647 5.273 -10.600
236 HD23 LEU 11 2HD2 LEU 11 3.894 3.664 -10.705
237 H VAL 12 H VAL 12 5.298 7.188 -14.700
238 HA VAL 12 HA VAL 12 3.628 9.377 -13.990
239 HB VAL 12 HB VAL 12 6.253 9.360 -15.561
240 HG11 VAL 12 1HG1 VAL 12 5.085 11.520 -15.727
241 HG12 VAL 12 2HG1 VAL 12 4.955 11.589 -13.958
242 HG13 VAL 12 3HG1 VAL 12 6.551 11.653 -14.738
243 HG21 VAL 12 3HG2 VAL 12 6.532 8.208 -13.422
244 HG22 VAL 12 1HG2 VAL 12 7.290 9.805 -13.318
245 HG23 VAL 12 2HG2 VAL 12 5.703 9.527 -12.564
246 H GLU 13 H GLU 13 4.640 8.128 -17.201
247 HA GLU 13 HA GLU 13 3.415 10.240 -18.699
248 HB2 GLU 13 1HB GLU 13 4.168 7.385 -19.363
249 HB3 GLU 13 2HB GLU 13 3.427 8.467 -20.551
250 HG2 GLU 13 1HG GLU 13 6.029 9.015 -19.087
251 HG3 GLU 13 2HG GLU 13 5.888 8.412 -20.742
252 HE2 GLU 13 HE2 GLU 13 5.856 12.174 -20.123
253 H ALA 14 H ALA 14 2.124 7.246 -17.316
254 HA ALA 14 HA ALA 14 -0.335 7.348 -18.836
255 HB1 ALA 14 3HB ALA 14 -1.085 5.642 -17.269
256 HB2 ALA 14 1HB ALA 14 0.578 5.289 -17.798
257 HB3 ALA 14 2HB ALA 14 0.284 5.995 -16.190
258 H LEU 15 H LEU 15 0.813 8.670 -15.748
259 HA LEU 15 HA LEU 15 -1.761 9.438 -14.769
260 HB2 LEU 15 1HB LEU 15 1.037 10.450 -14.222
261 HB3 LEU 15 2HB LEU 15 -0.383 11.086 -13.398
262 HG LEU 15 HG LEU 15 0.410 8.167 -13.324
263 HD11 LEU 15 1HD1 LEU 15 2.136 9.580 -12.244
264 HD12 LEU 15 2HD1 LEU 15 1.254 8.565 -11.083
265 HD13 LEU 15 3HD1 LEU 15 0.874 10.296 -11.215
266 HD21 LEU 15 3HD2 LEU 15 -1.525 9.813 -11.690
267 HD22 LEU 15 1HD2 LEU 15 -1.156 8.083 -11.475
268 HD23 LEU 15 2HD2 LEU 15 -1.959 8.633 -12.943
269 H TYR 16 H TYR 16 0.482 11.028 -17.014
270 HA TYR 16 HA TYR 16 -0.819 13.585 -16.977
271 HB2 TYR 16 1HB TYR 16 0.786 12.107 -19.080
272 HB3 TYR 16 2HB TYR 16 0.023 13.662 -19.422
273 HD1 TYR 16 HD1 TYR 16 0.576 15.662 -17.862
274 HD2 TYR 16 HD2 TYR 16 2.940 12.078 -18.045
275 HE1 TYR 16 HE1 TYR 16 2.508 16.875 -16.850
276 HE2 TYR 16 HE2 TYR 16 4.876 13.308 -17.067
277 HH TYR 16 HH TYR 16 5.645 15.297 -16.239
278 H LEU 17 H LEU 17 -1.569 10.539 -18.663
279 HA LEU 17 HA LEU 17 -3.594 11.742 -20.341
280 HB2 LEU 17 1HB LEU 17 -3.302 8.872 -19.414
281 HB3 LEU 17 2HB LEU 17 -4.326 9.450 -20.717
282 HG LEU 17 HG LEU 17 -1.293 9.605 -20.720
283 HD11 LEU 17 1HD1 LEU 17 -2.096 7.272 -20.675
284 HD12 LEU 17 2HD1 LEU 17 -1.379 7.683 -22.246
285 HD13 LEU 17 3HD1 LEU 17 -3.149 7.607 -22.074
286 HD21 LEU 17 3HD2 LEU 17 -1.578 9.976 -23.158
287 HD22 LEU 17 1HD2 LEU 17 -2.312 11.271 -22.196
288 HD23 LEU 17 2HD2 LEU 17 -3.344 10.023 -22.934
289 H VAL 18 H VAL 18 -3.665 10.036 -17.208
290 HA VAL 18 HA VAL 18 -6.564 9.937 -17.152
291 HB VAL 18 HB VAL 18 -4.494 9.464 -14.950
292 HG11 VAL 18 1HG1 VAL 18 -6.313 8.182 -13.815
293 HG12 VAL 18 2HG1 VAL 18 -6.681 9.913 -13.936
294 HG13 VAL 18 3HG1 VAL 18 -7.465 8.761 -15.046
295 HG21 VAL 18 3HG2 VAL 18 -5.904 7.631 -16.930
296 HG22 VAL 18 1HG2 VAL 18 -4.156 7.887 -16.726
297 HG23 VAL 18 2HG2 VAL 18 -5.080 7.040 -15.478
298 H CYS 19 H CYS 19 -4.093 12.017 -15.615
299 HA CYS 19 HA CYS 19 -6.187 13.555 -14.253
300 HB2 CYS 19 1HB CYS 19 -3.195 13.951 -14.554
301 HB3 CYS 19 2HB CYS 19 -4.254 15.001 -13.594
302 H GLY 20 H GLY 20 -4.538 13.631 -17.363
303 HA2 GLY 20 1HA GLY 20 -4.768 15.137 -19.097
304 HA3 GLY 20 2HA GLY 20 -6.187 15.804 -18.262
305 H GLU 21 H GLU 21 -5.588 17.936 -18.770
306 HA GLU 21 HA GLU 21 -3.055 19.075 -18.121
307 HB2 GLU 21 1HB GLU 21 -4.100 21.194 -18.581
308 HB3 GLU 21 2HB GLU 21 -4.663 20.001 -19.755
309 HG2 GLU 21 1HG GLU 21 -6.773 19.748 -18.429
310 HG3 GLU 21 2HG GLU 21 -6.208 21.024 -17.340
311 HE2 GLU 21 HE2 GLU 21 -7.220 21.982 -21.051
312 H ARG 22 H ARG 22 -5.394 18.002 -15.924
313 HA ARG 22 HA ARG 22 -5.276 20.201 -14.025
314 HB2 ARG 22 1HB ARG 22 -6.021 17.282 -13.653
315 HB3 ARG 22 2HB ARG 22 -6.269 18.553 -12.455
316 HG2 ARG 22 1HG ARG 22 -7.844 19.704 -13.892
317 HG3 ARG 22 2HG ARG 22 -7.522 18.582 -15.227
318 HD2 ARG 22 1HD ARG 22 -8.665 17.740 -12.543
319 HD3 ARG 22 2HD ARG 22 -9.645 18.120 -13.976
320 HE ARG 22 HE ARG 22 -7.665 16.200 -14.699
321 HH11 ARG 22 1HH1 ARG 22 -10.626 16.363 -12.778
322 HH12 ARG 22 2HH1 ARG 22 -10.997 14.682 -13.042
323 HH21 ARG 22 1HH2 ARG 22 -8.209 14.065 -14.996
324 HH22 ARG 22 2HH2 ARG 22 -9.639 13.403 -14.261
325 H GLY 23 H GLY 23 -3.192 17.519 -14.783
326 HA2 GLY 23 1HA GLY 23 -1.031 17.198 -14.015
327 HA3 GLY 23 2HA GLY 23 -1.244 18.535 -12.883
328 H PHE 24 H PHE 24 0.198 16.649 -11.921
329 HA PHE 24 HA PHE 24 -1.335 15.418 -9.770
330 HB2 PHE 24 1HB PHE 24 -0.566 13.131 -10.255
331 HB3 PHE 24 2HB PHE 24 -1.637 13.720 -11.525
332 HD1 PHE 24 HD2 PHE 24 -0.776 14.307 -13.752
333 HD2 PHE 24 HD1 PHE 24 1.770 12.689 -10.701
334 HE1 PHE 24 HE2 PHE 24 0.958 13.824 -15.455
335 HE2 PHE 24 HE1 PHE 24 3.507 12.196 -12.390
336 HZ PHE 24 HZ PHE 24 3.106 12.772 -14.791
337 H PHE 25 H PHE 25 0.533 14.003 -8.556
338 HA PHE 25 HA PHE 25 3.117 15.469 -8.873
339 HB2 PHE 25 1HB PHE 25 3.368 15.459 -6.430
340 HB3 PHE 25 2HB PHE 25 1.934 16.378 -6.909
341 HD1 PHE 25 HD1 PHE 25 -0.330 15.546 -6.412
342 HD2 PHE 25 HD2 PHE 25 3.168 13.330 -5.236
343 HE1 PHE 25 HE1 PHE 25 -1.736 14.126 -4.928
344 HE2 PHE 25 HE2 PHE 25 1.775 11.914 -3.741
345 HZ PHE 25 HZ PHE 25 -0.683 12.298 -3.596
346 H TYR 26 H TYR 26 4.961 14.156 -8.086
347 HA TYR 26 HA TYR 26 4.380 11.290 -7.702
348 HB2 TYR 26 1HB TYR 26 4.582 11.630 -10.175
349 HB3 TYR 26 2HB TYR 26 6.207 12.288 -9.923
350 HD1 TYR 26 HD2 TYR 26 4.115 9.233 -9.238
351 HD2 TYR 26 HD1 TYR 26 8.072 10.802 -9.882
352 HE1 TYR 26 HE2 TYR 26 5.036 6.923 -9.240
353 HE2 TYR 26 HE1 TYR 26 8.980 8.472 -9.917
354 HH TYR 26 HH TYR 26 6.883 5.617 -9.442
355 H THR 27 H THR 27 5.968 10.273 -6.521
356 HA THR 27 HA THR 27 8.226 12.000 -5.636
357 HB THR 27 HB THR 27 6.956 12.020 -3.731
358 HG1 THR 27 HG1 THR 27 8.174 10.915 -2.390
359 HG21 THR 27 1HG2 THR 27 5.715 9.971 -2.915
360 HG22 THR 27 2HG2 THR 27 6.071 9.232 -4.493
361 HG23 THR 27 3HG2 THR 27 5.086 10.715 -4.399
362 HA PRO 28 HA PRO 28 10.101 8.227 -7.327
363 HB2 PRO 28 1HB PRO 28 12.398 9.355 -8.250
364 HB3 PRO 28 2HB PRO 28 10.835 9.569 -9.101
365 HG2 PRO 28 1HG PRO 28 12.240 11.427 -7.214
366 HG3 PRO 28 2HG PRO 28 11.460 11.783 -8.786
367 HD2 PRO 28 1HD PRO 28 10.262 12.193 -6.334
368 HD3 PRO 28 2HD PRO 28 9.323 11.842 -7.822
369 H LYS 29 H LYS 29 11.931 6.934 -6.650
370 HA LYS 29 HA LYS 29 12.963 7.730 -3.972
371 HB2 LYS 29 1HB LYS 29 12.844 5.076 -5.442
372 HB3 LYS 29 2HB LYS 29 13.749 5.319 -3.937
373 HG2 LYS 29 1HG LYS 29 11.699 6.021 -2.795
374 HG3 LYS 29 2HG LYS 29 10.775 5.791 -4.292
375 HD2 LYS 29 1HD LYS 29 11.198 3.415 -4.266
376 HD3 LYS 29 2HD LYS 29 12.356 3.583 -2.927
377 HE2 LYS 29 1HE LYS 29 10.157 2.757 -2.136
378 HE3 LYS 29 2HE LYS 29 10.581 4.325 -1.424
379 HZ1 LYS 29 3HZ LYS 29 8.738 3.946 -3.715
380 HZ2 LYS 29 1HZ LYS 29 9.141 5.397 -3.044
381 HZ3 LYS 29 2HZ LYS 29 8.286 4.295 -2.166
382 H THR 30 H THR 30 14.609 9.058 -4.287
383 HA THR 30 HA THR 30 16.624 8.573 -6.363
384 HB THR 30 HB THR 30 17.615 10.684 -5.252
385 HG1 THR 30 HG1 THR 30 16.123 11.716 -3.810
386 HG21 THR 30 1HG2 THR 30 15.862 12.183 -6.185
387 HG22 THR 30 2HG2 THR 30 14.664 10.881 -6.148
388 HG23 THR 30 3HG2 THR 30 16.042 10.794 -7.263
389 HXT THR 30 H02 THR 30 19.221 7.649 -4.411
Start of MODEL 39
1 H1 GLY 1 3H0 GLY 1 1.623 -2.234 -1.982
2 H2 GLY 1 2H0 GLY 1 0.978 -2.071 -0.472
3 H3 GLY 1 1H0 GLY 1 -0.013 -2.241 -1.781
4 HA2 GLY 1 1HA GLY 1 0.013 0.029 -1.032
5 HA3 GLY 1 2HA GLY 1 1.772 0.039 -1.274
6 H ILE 2 H ILE 2 -0.056 1.841 -2.565
7 HA ILE 2 HA ILE 2 -1.056 0.886 -4.996
8 HB ILE 2 HB ILE 2 -1.693 3.010 -3.835
9 HG12 ILE 2 1HG1 ILE 2 -0.972 3.287 -6.767
10 HG13 ILE 2 2HG1 ILE 2 -2.370 2.420 -6.139
11 HG21 ILE 2 1HG2 ILE 2 0.672 3.859 -3.433
12 HG22 ILE 2 2HG2 ILE 2 0.762 4.269 -5.165
13 HG23 ILE 2 3HG2 ILE 2 -0.430 5.066 -4.117
14 HD11 ILE 2 3HD1 ILE 2 -3.192 4.567 -5.142
15 HD12 ILE 2 1HD1 ILE 2 -1.842 5.409 -5.949
16 HD13 ILE 2 2HD1 ILE 2 -3.077 4.581 -6.914
17 H VAL 3 H VAL 3 2.213 2.207 -4.382
18 HA VAL 3 HA VAL 3 2.848 2.306 -7.170
19 HB VAL 3 HB VAL 3 4.103 3.632 -5.553
20 HG11 VAL 3 1HG1 VAL 3 5.286 1.034 -4.497
21 HG12 VAL 3 2HG1 VAL 3 5.686 2.681 -3.977
22 HG13 VAL 3 3HG1 VAL 3 4.070 2.026 -3.650
23 HG21 VAL 3 3HG2 VAL 3 6.359 3.223 -6.416
24 HG22 VAL 3 1HG2 VAL 3 5.903 1.579 -6.919
25 HG23 VAL 3 2HG2 VAL 3 5.162 2.986 -7.710
26 H GLU 4 H GLU 4 3.189 -0.300 -4.718
27 HA GLU 4 HA GLU 4 4.638 -2.041 -6.498
28 HB2 GLU 4 1HB GLU 4 2.790 -2.660 -4.156
29 HB3 GLU 4 2HB GLU 4 3.686 -3.880 -5.056
30 HG2 GLU 4 1HG GLU 4 5.016 -3.505 -3.194
31 HG3 GLU 4 2HG GLU 4 5.797 -2.563 -4.470
32 HE2 GLU 4 HE2 GLU 4 6.691 -1.479 -2.895
33 H GLN 5 H GLN 5 1.174 -1.528 -5.793
34 HA GLN 5 HA GLN 5 0.187 -3.636 -7.406
35 HB2 GLN 5 1HB GLN 5 -0.999 -0.971 -6.584
36 HB3 GLN 5 2HB GLN 5 -1.917 -2.205 -7.457
37 HG2 GLN 5 1HG GLN 5 -1.916 -3.690 -5.650
38 HG3 GLN 5 2HG GLN 5 -0.490 -2.958 -4.909
39 HE21 GLN 5 2HE2 GLN 5 -3.772 -1.883 -5.892
40 HE22 GLN 5 1HE2 GLN 5 -4.099 -1.042 -4.396
41 H CYS 6 H CYS 6 1.087 -0.276 -8.312
42 HA CYS 6 HA CYS 6 0.102 -0.734 -11.033
43 HB2 CYS 6 1HB CYS 6 1.812 1.526 -9.955
44 HB3 CYS 6 2HB CYS 6 0.988 1.486 -11.515
45 H CYS 7 H CYS 7 3.217 -0.991 -9.371
46 HA CYS 7 HA CYS 7 4.714 -1.078 -11.854
47 HB2 CYS 7 1HB CYS 7 5.419 -1.799 -9.003
48 HB3 CYS 7 2HB CYS 7 6.551 -1.947 -10.353
49 H THR 8 H THR 8 3.625 -3.594 -9.490
50 HA THR 8 HA THR 8 4.765 -5.661 -11.246
51 HB THR 8 HB THR 8 4.880 -5.684 -8.668
52 HG1 THR 8 HG1 THR 8 4.013 -7.904 -10.224
53 HG21 THR 8 1HG2 THR 8 3.100 -6.575 -7.421
54 HG22 THR 8 2HG2 THR 8 2.221 -7.117 -8.868
55 HG23 THR 8 3HG2 THR 8 2.294 -5.388 -8.463
56 H SER 9 H SER 9 1.687 -4.155 -10.847
57 HA SER 9 HA SER 9 0.563 -6.181 -12.698
58 HB2 SER 9 1HB SER 9 -0.213 -6.634 -10.290
59 HB3 SER 9 2HB SER 9 -1.046 -5.066 -10.353
60 HG SER 9 HG SER 9 -2.307 -6.985 -10.972
61 H ILE 10 H ILE 10 -1.976 -4.904 -13.016
62 HA ILE 10 HA ILE 10 -0.973 -2.323 -14.169
63 HB ILE 10 HB ILE 10 -3.198 -4.144 -15.224
64 HG12 ILE 10 1HG1 ILE 10 -1.266 -3.626 -17.202
65 HG13 ILE 10 2HG1 ILE 10 -0.317 -3.906 -15.756
66 HG21 ILE 10 1HG2 ILE 10 -2.054 -1.530 -16.307
67 HG22 ILE 10 2HG2 ILE 10 -3.250 -2.565 -17.123
68 HG23 ILE 10 3HG2 ILE 10 -3.685 -1.748 -15.618
69 HD11 ILE 10 3HD1 ILE 10 -0.549 -5.979 -16.971
70 HD12 ILE 10 1HD1 ILE 10 -1.503 -6.105 -15.471
71 HD13 ILE 10 2HD1 ILE 10 -2.324 -5.802 -17.020
72 H CYS 11 H CYS 11 -1.680 -0.584 -13.211
73 HA CYS 11 HA CYS 11 -4.102 -0.638 -11.547
74 HB2 CYS 11 1HB CYS 11 -2.026 1.456 -12.254
75 HB3 CYS 11 2HB CYS 11 -3.520 1.878 -11.408
76 H SER 12 H SER 12 -6.069 -0.011 -12.188
77 HA SER 12 HA SER 12 -6.558 0.752 -14.963
78 HB2 SER 12 1HB SER 12 -8.911 0.899 -14.201
79 HB3 SER 12 2HB SER 12 -8.169 -0.626 -13.672
80 HG SER 12 HG SER 12 -9.221 0.242 -11.923
81 H LEU 13 H LEU 13 -7.906 2.822 -15.351
82 HA LEU 13 HA LEU 13 -6.381 5.057 -14.554
83 HB2 LEU 13 1HB LEU 13 -8.007 6.410 -15.633
84 HB3 LEU 13 2HB LEU 13 -7.805 4.936 -16.563
85 HG LEU 13 HG LEU 13 -9.987 4.276 -15.044
86 HD11 LEU 13 1HD1 LEU 13 -10.148 6.526 -14.045
87 HD12 LEU 13 2HD1 LEU 13 -11.524 6.220 -15.120
88 HD13 LEU 13 3HD1 LEU 13 -10.189 7.258 -15.668
89 HD21 LEU 13 3HD2 LEU 13 -11.293 4.731 -17.073
90 HD22 LEU 13 1HD2 LEU 13 -9.728 3.991 -17.471
91 HD23 LEU 13 2HD2 LEU 13 -9.972 5.740 -17.709
92 H TYR 14 H TYR 14 -9.231 3.612 -13.021
93 HA TYR 14 HA TYR 14 -9.826 5.805 -11.296
94 HB2 TYR 14 1HB TYR 14 -10.248 2.874 -10.674
95 HB3 TYR 14 2HB TYR 14 -11.208 4.252 -10.125
96 HD1 TYR 14 HD2 TYR 14 -12.503 5.596 -11.960
97 HD2 TYR 14 HD1 TYR 14 -10.817 1.693 -12.631
98 HE1 TYR 14 HE2 TYR 14 -13.990 5.286 -13.942
99 HE2 TYR 14 HE1 TYR 14 -12.291 1.406 -14.633
100 HH TYR 14 HH TYR 14 -14.635 3.890 -15.641
101 H GLN 15 H GLN 15 -7.657 3.000 -10.984
102 HA GLN 15 HA GLN 15 -6.936 3.536 -8.229
103 HB2 GLN 15 1HB GLN 15 -5.502 2.039 -10.453
104 HB3 GLN 15 2HB GLN 15 -4.975 2.053 -8.772
105 HG2 GLN 15 1HG GLN 15 -7.740 1.077 -9.582
106 HG3 GLN 15 2HG GLN 15 -6.320 0.022 -9.605
107 HE21 GLN 15 2HE2 GLN 15 -7.888 -1.096 -8.051
108 HE22 GLN 15 1HE2 GLN 15 -7.676 -0.710 -6.360
109 H LEU 16 H LEU 16 -5.686 4.436 -11.433
110 HA LEU 16 HA LEU 16 -3.332 5.749 -10.505
111 HB2 LEU 16 1HB LEU 16 -4.969 6.050 -13.026
112 HB3 LEU 16 2HB LEU 16 -3.465 6.920 -12.755
113 HG LEU 16 HG LEU 16 -3.684 3.890 -12.711
114 HD11 LEU 16 1HD1 LEU 16 -4.230 4.717 -14.944
115 HD12 LEU 16 2HD1 LEU 16 -2.639 3.940 -14.936
116 HD13 LEU 16 3HD1 LEU 16 -2.756 5.718 -14.954
117 HD21 LEU 16 3HD2 LEU 16 -1.295 5.775 -12.818
118 HD22 LEU 16 1HD2 LEU 16 -1.213 4.007 -13.008
119 HD23 LEU 16 2HD2 LEU 16 -1.751 4.703 -11.471
120 H GLU 17 H GLU 17 -6.685 6.926 -10.810
121 HA GLU 17 HA GLU 17 -6.162 9.698 -10.567
122 HB2 GLU 17 1HB GLU 17 -8.468 7.974 -9.634
123 HB3 GLU 17 2HB GLU 17 -8.444 9.719 -9.383
124 HG2 GLU 17 1HG GLU 17 -8.294 10.106 -11.779
125 HG3 GLU 17 2HG GLU 17 -8.239 8.373 -12.080
126 HE2 GLU 17 HE2 GLU 17 -11.638 10.161 -11.349
127 H ASN 18 H ASN 18 -5.785 7.224 -8.093
128 HA ASN 18 HA ASN 18 -6.047 8.971 -5.825
129 HB2 ASN 18 1HB ASN 18 -4.536 6.385 -6.227
130 HB3 ASN 18 2HB ASN 18 -4.618 7.227 -4.676
131 HD21 ASN 18 2HD2 ASN 18 -6.164 5.072 -6.802
132 HD22 ASN 18 1HD2 ASN 18 -7.656 4.908 -5.900
133 H TYR 19 H TYR 19 -3.433 8.507 -8.140
134 HA TYR 19 HA TYR 19 -1.362 9.738 -6.458
135 HB2 TYR 19 1HB TYR 19 -1.610 9.203 -9.424
136 HB3 TYR 19 2HB TYR 19 -0.186 9.919 -8.706
137 HD1 TYR 19 HD1 TYR 19 1.281 8.591 -7.185
138 HD2 TYR 19 HD2 TYR 19 -1.985 6.809 -9.328
139 HE1 TYR 19 HE1 TYR 19 2.283 6.328 -6.852
140 HE2 TYR 19 HE2 TYR 19 -0.981 4.561 -8.997
141 HH TYR 19 HH TYR 19 0.746 3.366 -8.129
142 H CYS 20 H CYS 20 -4.101 10.874 -8.129
143 HA CYS 20 HA CYS 20 -2.857 13.353 -9.108
144 HB2 CYS 20 1HB CYS 20 -4.801 11.764 -10.100
145 HB3 CYS 20 2HB CYS 20 -5.807 12.895 -9.194
146 H ASN 21 H ASN 21 -2.393 14.697 -7.461
147 HA ASN 21 HA ASN 21 -2.566 16.078 -5.652
148 HB2 ASN 21 1HB ASN 21 -4.171 17.237 -7.152
149 HB3 ASN 21 2HB ASN 21 -5.465 16.222 -6.531
150 HD21 ASN 21 2HD2 ASN 21 -6.720 17.357 -5.179
151 HD22 ASN 21 1HD2 ASN 21 -6.134 18.481 -3.980
152 HXT ASN 21 H02 ASN 21 -3.362 13.622 -3.413
153 H1 PHE 1 3H0 PHE 1 -8.259 3.898 -22.586
154 H2 PHE 1 2H0 PHE 1 -7.525 3.247 -23.912
155 H3 PHE 1 1H0 PHE 1 -8.489 2.307 -22.961
156 HA PHE 1 HA PHE 1 -5.922 3.512 -22.158
157 HB2 PHE 1 1HB PHE 1 -7.828 3.241 -20.423
158 HB3 PHE 1 2HB PHE 1 -7.582 1.501 -20.605
159 HD1 PHE 1 HD2 PHE 1 -5.933 4.703 -19.595
160 HD2 PHE 1 HD1 PHE 1 -5.758 0.394 -19.485
161 HE1 PHE 1 HE2 PHE 1 -4.099 4.823 -17.917
162 HE2 PHE 1 HE1 PHE 1 -3.924 0.512 -17.805
163 HZ PHE 1 HZ PHE 1 -3.084 2.728 -17.026
164 H VAL 2 H VAL 2 -4.219 1.830 -21.779
165 HA VAL 2 HA VAL 2 -4.776 -0.739 -23.182
166 HB VAL 2 HB VAL 2 -3.654 0.600 -24.893
167 HG11 VAL 2 1HG1 VAL 2 -1.549 1.276 -22.792
168 HG12 VAL 2 2HG1 VAL 2 -1.424 1.648 -24.525
169 HG13 VAL 2 3HG1 VAL 2 -2.698 2.400 -23.552
170 HG21 VAL 2 3HG2 VAL 2 -1.589 -1.227 -23.588
171 HG22 VAL 2 1HG2 VAL 2 -2.916 -1.756 -24.653
172 HG23 VAL 2 2HG2 VAL 2 -1.631 -0.712 -25.290
173 H ASN 3 H ASN 3 -3.963 -2.449 -22.016
174 HA ASN 3 HA ASN 3 -2.984 -1.740 -19.359
175 HB2 ASN 3 1HB ASN 3 -3.491 -4.427 -20.677
176 HB3 ASN 3 2HB ASN 3 -2.887 -4.224 -19.024
177 HD21 ASN 3 2HD2 ASN 3 -5.347 -5.505 -19.815
178 HD22 ASN 3 1HD2 ASN 3 -6.647 -4.584 -19.097
179 H GLN 4 H GLN 4 -1.019 -1.587 -18.728
180 HA GLN 4 HA GLN 4 1.025 -3.446 -19.599
181 HB2 GLN 4 1HB GLN 4 2.632 -1.547 -20.160
182 HB3 GLN 4 2HB GLN 4 1.424 -1.896 -21.400
183 HG2 GLN 4 1HG GLN 4 0.074 0.002 -20.665
184 HG3 GLN 4 2HG GLN 4 1.233 0.352 -19.383
185 HE21 GLN 4 2HE2 GLN 4 0.475 0.672 -22.724
186 HE22 GLN 4 1HE2 GLN 4 1.873 1.625 -23.159
187 H HIS 5 H HIS 5 2.647 -3.382 -17.983
188 HA HIS 5 HA HIS 5 1.752 -2.389 -15.421
189 HB2 HIS 5 1HB HIS 5 4.438 -3.509 -16.308
190 HB3 HIS 5 2HB HIS 5 3.982 -3.169 -14.636
191 HD1 HIS 5 HD1 HIS 5 1.262 -4.298 -14.324
192 HD2 HIS 5 HD2 HIS 5 4.148 -6.244 -16.569
193 HE1 HIS 5 HE1 HIS 5 0.517 -6.722 -14.557
194 HE2 HIS 5 HE2 HIS 5 2.331 -7.905 -15.867
195 H LEU 6 H LEU 6 2.391 -0.640 -14.222
196 HA LEU 6 HA LEU 6 3.821 1.477 -15.805
197 HB2 LEU 6 1HB LEU 6 1.469 1.579 -13.902
198 HB3 LEU 6 2HB LEU 6 2.411 2.984 -14.295
199 HG LEU 6 HG LEU 6 0.874 3.431 -15.759
200 HD11 LEU 6 1HD1 LEU 6 1.960 1.121 -17.404
201 HD12 LEU 6 2HD1 LEU 6 2.586 2.782 -17.385
202 HD13 LEU 6 3HD1 LEU 6 0.965 2.457 -18.008
203 HD21 LEU 6 3HD2 LEU 6 0.024 0.527 -15.673
204 HD22 LEU 6 1HD2 LEU 6 -0.846 1.809 -16.540
205 HD23 LEU 6 2HD2 LEU 6 -0.687 1.889 -14.775
206 H CYS 7 H CYS 7 5.805 1.577 -14.984
207 HA CYS 7 HA CYS 7 6.019 2.298 -12.115
208 HB2 CYS 7 1HB CYS 7 6.566 -0.240 -12.781
209 HB3 CYS 7 2HB CYS 7 8.094 0.476 -13.302
210 H GLY 8 H GLY 8 7.930 3.618 -11.717
211 HA2 GLY 8 1HA GLY 8 9.477 5.231 -12.326
212 HA3 GLY 8 2HA GLY 8 9.852 4.199 -13.718
213 H SER 9 H SER 9 9.949 5.568 -15.404
214 HA SER 9 HA SER 9 8.380 7.906 -15.736
215 HB2 SER 9 1HB SER 9 9.109 7.696 -18.141
216 HB3 SER 9 2HB SER 9 10.434 7.594 -16.957
217 HG SER 9 HG SER 9 10.605 5.946 -18.510
218 H HIS 10 H HIS 10 7.659 4.519 -16.578
219 HA HIS 10 HA HIS 10 5.541 5.145 -18.422
220 HB2 HIS 10 1HB HIS 10 6.380 2.739 -16.861
221 HB3 HIS 10 2HB HIS 10 4.742 2.775 -17.499
222 HD1 HIS 10 HD1 HIS 10 4.436 1.970 -19.852
223 HD2 HIS 10 HD2 HIS 10 8.368 3.242 -19.089
224 HE1 HIS 10 HE1 HIS 10 5.776 1.483 -21.925
225 HE2 HIS 10 HE2 HIS 10 8.153 2.247 -21.471
226 H LEU 11 H LEU 11 5.650 4.950 -14.884
227 HA LEU 11 HA LEU 11 2.777 4.951 -14.562
228 HB2 LEU 11 1HB LEU 11 4.395 4.244 -12.816
229 HB3 LEU 11 2HB LEU 11 4.980 5.897 -12.697
230 HG LEU 11 HG LEU 11 2.866 6.640 -11.760
231 HD11 LEU 11 1HD1 LEU 11 1.112 5.007 -11.127
232 HD12 LEU 11 2HD1 LEU 11 1.964 3.750 -12.056
233 HD13 LEU 11 3HD1 LEU 11 1.275 5.170 -12.883
234 HD21 LEU 11 3HD2 LEU 11 3.828 4.084 -10.419
235 HD22 LEU 11 1HD2 LEU 11 3.037 5.473 -9.638
236 HD23 LEU 11 2HD2 LEU 11 4.658 5.654 -10.334
237 H VAL 12 H VAL 12 5.300 7.453 -14.691
238 HA VAL 12 HA VAL 12 3.591 9.686 -14.206
239 HB VAL 12 HB VAL 12 6.186 9.491 -15.819
240 HG11 VAL 12 1HG1 VAL 12 6.454 11.881 -15.398
241 HG12 VAL 12 2HG1 VAL 12 4.953 11.574 -16.290
242 HG13 VAL 12 3HG1 VAL 12 4.894 11.927 -14.549
243 HG21 VAL 12 3HG2 VAL 12 6.508 8.688 -13.531
244 HG22 VAL 12 1HG2 VAL 12 7.254 10.286 -13.699
245 HG23 VAL 12 2HG2 VAL 12 5.684 10.122 -12.880
246 H GLU 13 H GLU 13 4.581 8.026 -17.218
247 HA GLU 13 HA GLU 13 3.337 9.845 -19.036
248 HB2 GLU 13 1HB GLU 13 4.032 6.901 -19.175
249 HB3 GLU 13 2HB GLU 13 3.351 7.772 -20.554
250 HG2 GLU 13 1HG GLU 13 5.256 9.167 -20.767
251 HG3 GLU 13 2HG GLU 13 5.858 8.744 -19.163
252 HE2 GLU 13 HE2 GLU 13 7.839 6.967 -21.459
253 H ALA 14 H ALA 14 2.096 7.050 -17.231
254 HA ALA 14 HA ALA 14 -0.425 6.988 -18.663
255 HB1 ALA 14 3HB ALA 14 0.508 5.034 -17.487
256 HB2 ALA 14 1HB ALA 14 0.351 5.889 -15.935
257 HB3 ALA 14 2HB ALA 14 -1.106 5.458 -16.868
258 H LEU 15 H LEU 15 0.776 8.468 -15.648
259 HA LEU 15 HA LEU 15 -1.775 9.364 -14.736
260 HB2 LEU 15 1HB LEU 15 1.062 10.243 -14.197
261 HB3 LEU 15 2HB LEU 15 -0.314 11.060 -13.459
262 HG LEU 15 HG LEU 15 0.239 8.095 -13.136
263 HD11 LEU 15 1HD1 LEU 15 0.830 10.361 -11.206
264 HD12 LEU 15 2HD1 LEU 15 2.045 9.457 -12.141
265 HD13 LEU 15 3HD1 LEU 15 1.071 8.623 -10.913
266 HD21 LEU 15 3HD2 LEU 15 -1.608 9.982 -11.658
267 HD22 LEU 15 1HD2 LEU 15 -1.371 8.250 -11.327
268 HD23 LEU 15 2HD2 LEU 15 -2.112 8.760 -12.843
269 H TYR 16 H TYR 16 0.518 10.796 -17.037
270 HA TYR 16 HA TYR 16 -0.640 13.394 -17.144
271 HB2 TYR 16 1HB TYR 16 0.841 11.652 -19.097
272 HB3 TYR 16 2HB TYR 16 0.000 13.081 -19.705
273 HD1 TYR 16 HD1 TYR 16 0.471 15.349 -18.439
274 HD2 TYR 16 HD2 TYR 16 3.063 11.917 -18.302
275 HE1 TYR 16 HE1 TYR 16 2.380 16.809 -17.764
276 HE2 TYR 16 HE2 TYR 16 4.972 13.393 -17.655
277 HH TYR 16 HH TYR 16 5.652 15.524 -17.175
278 H LEU 17 H LEU 17 -1.638 10.337 -18.704
279 HA LEU 17 HA LEU 17 -3.714 11.603 -20.263
280 HB2 LEU 17 1HB LEU 17 -3.451 8.731 -19.334
281 HB3 LEU 17 2HB LEU 17 -4.547 9.328 -20.569
282 HG LEU 17 HG LEU 17 -1.516 9.406 -20.784
283 HD11 LEU 17 1HD1 LEU 17 -3.514 7.443 -21.980
284 HD12 LEU 17 2HD1 LEU 17 -2.363 7.094 -20.665
285 HD13 LEU 17 3HD1 LEU 17 -1.763 7.478 -22.292
286 HD21 LEU 17 3HD2 LEU 17 -3.711 9.860 -22.851
287 HD22 LEU 17 1HD2 LEU 17 -1.970 9.766 -23.201
288 HD23 LEU 17 2HD2 LEU 17 -2.598 11.087 -22.202
289 H VAL 18 H VAL 18 -3.645 9.940 -17.114
290 HA VAL 18 HA VAL 18 -6.530 9.885 -16.878
291 HB VAL 18 HB VAL 18 -4.335 9.478 -14.787
292 HG11 VAL 18 1HG1 VAL 18 -7.309 8.828 -14.680
293 HG12 VAL 18 2HG1 VAL 18 -6.098 8.273 -13.501
294 HG13 VAL 18 3HG1 VAL 18 -6.437 10.002 -13.668
295 HG21 VAL 18 3HG2 VAL 18 -4.185 7.841 -16.586
296 HG22 VAL 18 1HG2 VAL 18 -4.873 7.058 -15.159
297 HG23 VAL 18 2HG2 VAL 18 -5.930 7.527 -16.503
298 H CYS 19 H CYS 19 -3.960 11.977 -15.531
299 HA CYS 19 HA CYS 19 -5.943 13.571 -14.080
300 HB2 CYS 19 1HB CYS 19 -2.969 13.872 -14.569
301 HB3 CYS 19 2HB CYS 19 -3.928 15.018 -13.621
302 H GLY 20 H GLY 20 -4.488 13.562 -17.276
303 HA2 GLY 20 1HA GLY 20 -4.768 15.032 -19.023
304 HA3 GLY 20 2HA GLY 20 -6.227 15.612 -18.193
305 H GLU 21 H GLU 21 -6.017 17.750 -18.501
306 HA GLU 21 HA GLU 21 -3.551 19.177 -18.307
307 HB2 GLU 21 1HB GLU 21 -6.438 20.112 -18.206
308 HB3 GLU 21 2HB GLU 21 -5.040 21.179 -18.387
309 HG2 GLU 21 1HG GLU 21 -4.452 20.065 -20.511
310 HG3 GLU 21 2HG GLU 21 -5.847 18.993 -20.341
311 HE2 GLU 21 HE2 GLU 21 -6.880 21.570 -22.486
312 H ARG 22 H ARG 22 -5.526 18.036 -15.680
313 HA ARG 22 HA ARG 22 -5.173 20.398 -14.050
314 HB2 ARG 22 1HB ARG 22 -6.507 19.405 -12.547
315 HB3 ARG 22 2HB ARG 22 -6.912 18.401 -13.939
316 HG2 ARG 22 1HG ARG 22 -5.098 16.786 -13.080
317 HG3 ARG 22 2HG ARG 22 -5.129 17.747 -11.588
318 HD2 ARG 22 1HD ARG 22 -6.643 16.048 -11.155
319 HD3 ARG 22 2HD ARG 22 -7.686 17.386 -11.684
320 HE ARG 22 HE ARG 22 -7.024 15.971 -13.995
321 HH11 ARG 22 1HH1 ARG 22 -8.709 15.181 -10.986
322 HH12 ARG 22 2HH1 ARG 22 -9.674 13.945 -11.742
323 HH21 ARG 22 1HH2 ARG 22 -8.283 14.373 -14.881
324 HH22 ARG 22 2HH2 ARG 22 -9.437 13.500 -13.914
325 H GLY 23 H GLY 23 -3.063 17.819 -14.842
326 HA2 GLY 23 1HA GLY 23 -0.833 17.606 -14.219
327 HA3 GLY 23 2HA GLY 23 -1.044 18.911 -13.041
328 H PHE 24 H PHE 24 0.509 16.960 -12.213
329 HA PHE 24 HA PHE 24 -0.862 15.763 -9.957
330 HB2 PHE 24 1HB PHE 24 -0.406 13.427 -10.519
331 HB3 PHE 24 2HB PHE 24 -1.491 14.133 -11.707
332 HD1 PHE 24 HD1 PHE 24 -0.679 14.734 -13.979
333 HD2 PHE 24 HD2 PHE 24 1.779 12.639 -11.153
334 HE1 PHE 24 HE1 PHE 24 0.863 14.090 -15.806
335 HE2 PHE 24 HE2 PHE 24 3.317 11.962 -12.979
336 HZ PHE 24 HZ PHE 24 2.860 12.699 -15.325
337 H PHE 25 H PHE 25 0.973 14.143 -8.974
338 HA PHE 25 HA PHE 25 3.671 15.138 -9.711
339 HB2 PHE 25 1HB PHE 25 4.291 15.446 -7.384
340 HB3 PHE 25 2HB PHE 25 2.907 16.480 -7.756
341 HD1 PHE 25 HD1 PHE 25 0.655 15.947 -6.844
342 HD2 PHE 25 HD2 PHE 25 4.117 13.610 -5.808
343 HE1 PHE 25 HE1 PHE 25 -0.600 14.935 -4.947
344 HE2 PHE 25 HE2 PHE 25 2.868 12.595 -3.907
345 HZ PHE 25 HZ PHE 25 0.496 13.244 -3.485
346 H TYR 26 H TYR 26 5.359 13.666 -8.778
347 HA TYR 26 HA TYR 26 4.391 10.997 -7.953
348 HB2 TYR 26 1HB TYR 26 4.526 10.714 -10.370
349 HB3 TYR 26 2HB TYR 26 6.107 11.513 -10.414
350 HD1 TYR 26 HD2 TYR 26 4.417 8.579 -8.734
351 HD2 TYR 26 HD1 TYR 26 8.045 10.177 -10.414
352 HE1 TYR 26 HE2 TYR 26 5.576 6.416 -8.304
353 HE2 TYR 26 HE1 TYR 26 9.186 7.997 -10.005
354 HH TYR 26 HH TYR 26 9.005 5.888 -9.146
355 H THR 27 H THR 27 5.934 9.984 -6.646
356 HA THR 27 HA THR 27 8.186 11.734 -5.844
357 HB THR 27 HB THR 27 8.290 10.043 -3.894
358 HG1 THR 27 HG1 THR 27 5.776 9.366 -3.888
359 HG21 THR 27 1HG2 THR 27 5.741 11.677 -4.263
360 HG22 THR 27 2HG2 THR 27 7.305 12.319 -3.706
361 HG23 THR 27 3HG2 THR 27 6.433 11.130 -2.717
362 HA PRO 28 HA PRO 28 10.588 8.617 -8.084
363 HB2 PRO 28 1HB PRO 28 12.966 9.947 -8.172
364 HB3 PRO 28 2HB PRO 28 11.611 10.365 -9.272
365 HG2 PRO 28 1HG PRO 28 12.399 11.650 -6.667
366 HG3 PRO 28 2HG PRO 28 12.089 12.422 -8.258
367 HD2 PRO 28 1HD PRO 28 10.194 12.320 -6.333
368 HD3 PRO 28 2HD PRO 28 9.771 12.134 -8.073
369 H LYS 29 H LYS 29 12.367 7.223 -7.366
370 HA LYS 29 HA LYS 29 13.087 7.544 -4.486
371 HB2 LYS 29 1HB LYS 29 11.913 5.064 -5.805
372 HB3 LYS 29 2HB LYS 29 12.579 5.123 -4.164
373 HG2 LYS 29 1HG LYS 29 10.865 6.740 -3.496
374 HG3 LYS 29 2HG LYS 29 10.249 6.799 -5.151
375 HD2 LYS 29 1HD LYS 29 9.630 4.419 -5.015
376 HD3 LYS 29 2HD LYS 29 10.201 4.382 -3.331
377 HE2 LYS 29 1HE LYS 29 7.774 4.717 -3.362
378 HE3 LYS 29 2HE LYS 29 8.576 6.181 -2.760
379 HZ1 LYS 29 3HZ LYS 29 8.346 7.126 -5.020
380 HZ2 LYS 29 1HZ LYS 29 6.883 6.785 -4.344
381 HZ3 LYS 29 2HZ LYS 29 7.509 5.792 -5.504
382 H THR 30 H THR 30 15.198 7.914 -4.753
383 HA THR 30 HA THR 30 16.794 6.334 -6.666
384 HB THR 30 HB THR 30 18.595 7.983 -5.658
385 HG1 THR 30 HG1 THR 30 17.579 9.818 -4.732
386 HG21 THR 30 1HG2 THR 30 17.819 9.797 -7.184
387 HG22 THR 30 2HG2 THR 30 16.194 9.100 -7.245
388 HG23 THR 30 3HG2 THR 30 17.566 8.232 -7.964
389 HXT THR 30 H02 THR 30 17.517 5.244 -3.046
Start of MODEL 40
1 H1 GLY 1 3H0 GLY 1 2.738 -1.616 -1.936
2 H2 GLY 1 2H0 GLY 1 2.280 -1.418 -0.364
3 H3 GLY 1 1H0 GLY 1 1.155 -1.793 -1.510
4 HA2 GLY 1 1HA GLY 1 0.999 0.539 -0.900
5 HA3 GLY 1 2HA GLY 1 2.694 0.729 -1.386
6 H ILE 2 H ILE 2 0.621 2.302 -2.592
7 HA ILE 2 HA ILE 2 -0.536 1.039 -4.834
8 HB ILE 2 HB ILE 2 -1.287 3.173 -3.759
9 HG12 ILE 2 1HG1 ILE 2 -0.941 3.275 -6.771
10 HG13 ILE 2 2HG1 ILE 2 -2.117 2.276 -5.921
11 HG21 ILE 2 1HG2 ILE 2 0.973 4.325 -3.716
12 HG22 ILE 2 2HG2 ILE 2 0.831 4.559 -5.477
13 HG23 ILE 2 3HG2 ILE 2 -0.335 5.320 -4.378
14 HD11 ILE 2 3HD1 ILE 2 -3.089 4.404 -4.942
15 HD12 ILE 2 1HD1 ILE 2 -2.029 5.310 -6.055
16 HD13 ILE 2 2HD1 ILE 2 -3.267 4.212 -6.698
17 H VAL 3 H VAL 3 2.587 2.836 -4.741
18 HA VAL 3 HA VAL 3 2.950 2.642 -7.574
19 HB VAL 3 HB VAL 3 4.199 4.293 -6.298
20 HG11 VAL 3 1HG1 VAL 3 6.009 3.728 -4.750
21 HG12 VAL 3 2HG1 VAL 3 4.481 3.044 -4.169
22 HG13 VAL 3 3HG1 VAL 3 5.692 1.994 -4.953
23 HG21 VAL 3 3HG2 VAL 3 6.121 2.232 -7.465
24 HG22 VAL 3 1HG2 VAL 3 5.188 3.418 -8.403
25 HG23 VAL 3 2HG2 VAL 3 6.421 3.973 -7.254
26 H GLU 4 H GLU 4 3.785 0.498 -4.898
27 HA GLU 4 HA GLU 4 5.336 -1.354 -6.421
28 HB2 GLU 4 1HB GLU 4 5.257 -1.194 -3.923
29 HB3 GLU 4 2HB GLU 4 3.588 -1.750 -3.969
30 HG2 GLU 4 1HG GLU 4 4.404 -3.899 -4.991
31 HG3 GLU 4 2HG GLU 4 6.051 -3.342 -4.662
32 HE2 GLU 4 HE2 GLU 4 5.344 -5.236 -1.853
33 H GLN 5 H GLN 5 1.884 -1.178 -5.546
34 HA GLN 5 HA GLN 5 1.117 -3.629 -6.743
35 HB2 GLN 5 1HB GLN 5 -0.109 -2.177 -5.078
36 HB3 GLN 5 2HB GLN 5 -0.567 -1.118 -6.412
37 HG2 GLN 5 1HG GLN 5 -1.939 -2.783 -7.390
38 HG3 GLN 5 2HG GLN 5 -1.192 -4.073 -6.433
39 HE21 GLN 5 2HE2 GLN 5 -3.966 -2.434 -6.724
40 HE22 GLN 5 1HE2 GLN 5 -4.509 -2.461 -5.065
41 H CYS 6 H CYS 6 1.287 -0.292 -8.039
42 HA CYS 6 HA CYS 6 0.140 -1.031 -10.592
43 HB2 CYS 6 1HB CYS 6 1.665 1.349 -9.533
44 HB3 CYS 6 2HB CYS 6 1.342 1.185 -11.267
45 H CYS 7 H CYS 7 3.416 -0.999 -9.275
46 HA CYS 7 HA CYS 7 4.736 -1.197 -11.810
47 HB2 CYS 7 1HB CYS 7 5.733 -0.483 -9.589
48 HB3 CYS 7 2HB CYS 7 5.709 -2.180 -9.105
49 H THR 8 H THR 8 3.845 -3.633 -9.315
50 HA THR 8 HA THR 8 4.853 -5.763 -11.054
51 HB THR 8 HB THR 8 5.203 -5.655 -8.530
52 HG1 THR 8 HG1 THR 8 5.508 -7.563 -9.801
53 HG21 THR 8 1HG2 THR 8 2.748 -5.172 -8.007
54 HG22 THR 8 2HG2 THR 8 3.510 -6.465 -7.061
55 HG23 THR 8 3HG2 THR 8 2.428 -6.876 -8.403
56 H SER 9 H SER 9 1.682 -4.427 -10.311
57 HA SER 9 HA SER 9 0.545 -6.621 -11.981
58 HB2 SER 9 1HB SER 9 -1.332 -6.904 -10.493
59 HB3 SER 9 2HB SER 9 0.127 -7.013 -9.491
60 HG SER 9 HG SER 9 -0.293 -4.603 -9.218
61 H ILE 10 H ILE 10 -2.065 -5.822 -12.163
62 HA ILE 10 HA ILE 10 -1.546 -3.825 -14.179
63 HB ILE 10 HB ILE 10 -4.133 -5.134 -13.275
64 HG12 ILE 10 1HG1 ILE 10 -2.484 -6.703 -14.206
65 HG13 ILE 10 2HG1 ILE 10 -3.900 -6.538 -15.241
66 HG21 ILE 10 1HG2 ILE 10 -5.047 -4.330 -15.485
67 HG22 ILE 10 2HG2 ILE 10 -4.746 -3.040 -14.310
68 HG23 ILE 10 3HG2 ILE 10 -3.604 -3.298 -15.648
69 HD11 ILE 10 3HD1 ILE 10 -1.190 -5.244 -15.727
70 HD12 ILE 10 1HD1 ILE 10 -1.851 -6.657 -16.570
71 HD13 ILE 10 2HD1 ILE 10 -2.610 -5.071 -16.766
72 H CYS 11 H CYS 11 -1.445 -1.770 -13.959
73 HA CYS 11 HA CYS 11 -2.685 -0.443 -11.635
74 HB2 CYS 11 1HB CYS 11 -0.325 -0.026 -12.569
75 HB3 CYS 11 2HB CYS 11 -1.113 0.761 -13.922
76 H SER 12 H SER 12 -4.884 -0.455 -12.034
77 HA SER 12 HA SER 12 -5.987 0.056 -14.669
78 HB2 SER 12 1HB SER 12 -8.144 0.034 -13.501
79 HB3 SER 12 2HB SER 12 -7.137 -1.320 -12.947
80 HG SER 12 HG SER 12 -7.877 -0.413 -11.113
81 H LEU 13 H LEU 13 -7.592 1.901 -14.996
82 HA LEU 13 HA LEU 13 -6.269 4.384 -14.657
83 HB2 LEU 13 1HB LEU 13 -8.222 5.398 -15.573
84 HB3 LEU 13 2HB LEU 13 -7.919 3.890 -16.415
85 HG LEU 13 HG LEU 13 -9.739 3.054 -14.550
86 HD11 LEU 13 1HD1 LEU 13 -11.561 4.741 -14.533
87 HD12 LEU 13 2HD1 LEU 13 -10.475 5.915 -15.310
88 HD13 LEU 13 3HD1 LEU 13 -10.123 5.312 -13.672
89 HD21 LEU 13 3HD2 LEU 13 -11.375 3.149 -16.382
90 HD22 LEU 13 1HD2 LEU 13 -9.789 2.598 -16.958
91 HD23 LEU 13 2HD2 LEU 13 -10.321 4.269 -17.275
92 H TYR 14 H TYR 14 -8.580 2.690 -12.594
93 HA TYR 14 HA TYR 14 -9.292 4.922 -10.956
94 HB2 TYR 14 1HB TYR 14 -9.111 2.035 -10.081
95 HB3 TYR 14 2HB TYR 14 -10.195 3.287 -9.471
96 HD1 TYR 14 HD2 TYR 14 -11.848 4.321 -11.324
97 HD2 TYR 14 HD1 TYR 14 -9.884 0.502 -11.651
98 HE1 TYR 14 HE2 TYR 14 -13.547 3.581 -12.998
99 HE2 TYR 14 HE1 TYR 14 -11.583 -0.220 -13.340
100 HH TYR 14 HH TYR 14 -13.499 0.340 -14.475
101 H GLN 15 H GLN 15 -6.665 2.534 -10.849
102 HA GLN 15 HA GLN 15 -5.632 3.347 -8.280
103 HB2 GLN 15 1HB GLN 15 -4.289 2.026 -10.669
104 HB3 GLN 15 2HB GLN 15 -3.530 2.237 -9.093
105 HG2 GLN 15 1HG GLN 15 -6.161 0.770 -9.343
106 HG3 GLN 15 2HG GLN 15 -4.626 -0.045 -9.683
107 HE21 GLN 15 2HE2 GLN 15 -6.806 0.916 -7.257
108 HE22 GLN 15 1HE2 GLN 15 -5.804 0.520 -5.882
109 H LEU 16 H LEU 16 -5.055 4.322 -11.672
110 HA LEU 16 HA LEU 16 -2.946 6.159 -11.056
111 HB2 LEU 16 1HB LEU 16 -4.883 5.979 -13.362
112 HB3 LEU 16 2HB LEU 16 -3.574 7.160 -13.292
113 HG LEU 16 HG LEU 16 -3.100 4.170 -13.072
114 HD11 LEU 16 1HD1 LEU 16 -4.183 4.688 -15.214
115 HD12 LEU 16 2HD1 LEU 16 -2.502 4.183 -15.415
116 HD13 LEU 16 3HD1 LEU 16 -2.926 5.904 -15.546
117 HD21 LEU 16 3HD2 LEU 16 -1.262 5.588 -12.240
118 HD22 LEU 16 1HD2 LEU 16 -1.257 6.497 -13.767
119 HD23 LEU 16 2HD2 LEU 16 -0.803 4.780 -13.745
120 H GLU 17 H GLU 17 -6.504 6.572 -11.151
121 HA GLU 17 HA GLU 17 -6.517 9.408 -10.858
122 HB2 GLU 17 1HB GLU 17 -8.438 7.241 -9.957
123 HB3 GLU 17 2HB GLU 17 -8.761 8.956 -9.701
124 HG2 GLU 17 1HG GLU 17 -8.725 9.373 -12.085
125 HG3 GLU 17 2HG GLU 17 -8.278 7.702 -12.408
126 HE2 GLU 17 HE2 GLU 17 -10.598 9.745 -12.276
127 H ASN 18 H ASN 18 -5.959 6.838 -8.496
128 HA ASN 18 HA ASN 18 -6.405 8.447 -6.154
129 HB2 ASN 18 1HB ASN 18 -5.100 5.813 -6.714
130 HB3 ASN 18 2HB ASN 18 -4.730 6.618 -5.188
131 HD21 ASN 18 2HD2 ASN 18 -7.509 5.653 -7.227
132 HD22 ASN 18 1HD2 ASN 18 -8.543 5.286 -5.865
133 H TYR 19 H TYR 19 -3.645 8.217 -8.328
134 HA TYR 19 HA TYR 19 -1.688 9.273 -6.446
135 HB2 TYR 19 1HB TYR 19 -1.837 9.141 -9.454
136 HB3 TYR 19 2HB TYR 19 -0.463 9.843 -8.628
137 HD1 TYR 19 HD2 TYR 19 -2.299 6.699 -9.243
138 HD2 TYR 19 HD1 TYR 19 1.232 8.462 -7.585
139 HE1 TYR 19 HE2 TYR 19 -1.257 4.442 -9.102
140 HE2 TYR 19 HE1 TYR 19 2.282 6.196 -7.448
141 HH TYR 19 HH TYR 19 0.549 3.253 -8.531
142 H CYS 20 H CYS 20 -4.253 10.627 -8.400
143 HA CYS 20 HA CYS 20 -3.104 13.339 -8.372
144 HB2 CYS 20 1HB CYS 20 -5.801 12.259 -9.280
145 HB3 CYS 20 2HB CYS 20 -5.297 13.945 -9.407
146 H ASN 21 H ASN 21 -3.732 14.991 -7.032
147 HA ASN 21 HA ASN 21 -5.089 14.363 -4.572
148 HB2 ASN 21 1HB ASN 21 -4.912 16.878 -4.262
149 HB3 ASN 21 2HB ASN 21 -3.375 16.083 -4.539
150 HD21 ASN 21 2HD2 ASN 21 -5.526 18.523 -5.579
151 HD22 ASN 21 1HD2 ASN 21 -4.673 18.954 -7.036
152 HXT ASN 21 H02 ASN 21 -8.229 15.239 -5.130
153 H1 PHE 1 3H0 PHE 1 -9.146 4.272 -21.716
154 H2 PHE 1 2H0 PHE 1 -8.918 3.106 -22.863
155 H3 PHE 1 1H0 PHE 1 -9.819 2.777 -21.523
156 HA PHE 1 HA PHE 1 -6.928 3.349 -21.561
157 HB2 PHE 1 1HB PHE 1 -8.269 4.156 -19.550
158 HB3 PHE 1 2HB PHE 1 -8.662 2.463 -19.225
159 HD1 PHE 1 HD1 PHE 1 -5.827 4.886 -19.548
160 HD2 PHE 1 HD2 PHE 1 -7.118 1.051 -18.065
161 HE1 PHE 1 HE1 PHE 1 -3.679 4.639 -18.323
162 HE2 PHE 1 HE2 PHE 1 -4.964 0.803 -16.836
163 HZ PHE 1 HZ PHE 1 -3.238 2.589 -16.978
164 H VAL 2 H VAL 2 -5.618 1.398 -20.924
165 HA VAL 2 HA VAL 2 -7.055 -1.160 -21.373
166 HB VAL 2 HB VAL 2 -6.130 -0.419 -23.587
167 HG11 VAL 2 1HG1 VAL 2 -4.169 0.865 -22.768
168 HG12 VAL 2 2HG1 VAL 2 -3.392 -0.655 -22.261
169 HG13 VAL 2 3HG1 VAL 2 -3.712 -0.345 -23.981
170 HG21 VAL 2 3HG2 VAL 2 -5.046 -2.513 -24.169
171 HG22 VAL 2 1HG2 VAL 2 -4.655 -2.839 -22.466
172 HG23 VAL 2 2HG2 VAL 2 -6.352 -2.837 -23.010
173 H ASN 3 H ASN 3 -6.141 -2.899 -20.293
174 HA ASN 3 HA ASN 3 -4.757 -2.278 -17.875
175 HB2 ASN 3 1HB ASN 3 -4.353 -4.850 -17.909
176 HB3 ASN 3 2HB ASN 3 -6.020 -4.250 -17.752
177 HD21 ASN 3 2HD2 ASN 3 -4.047 -6.398 -19.374
178 HD22 ASN 3 1HD2 ASN 3 -5.084 -6.723 -20.738
179 H GLN 4 H GLN 4 -2.678 -2.062 -17.395
180 HA GLN 4 HA GLN 4 -0.685 -3.706 -18.682
181 HB2 GLN 4 1HB GLN 4 0.727 -1.756 -19.373
182 HB3 GLN 4 2HB GLN 4 -0.726 -1.961 -20.354
183 HG2 GLN 4 1HG GLN 4 -1.841 -0.177 -18.983
184 HG3 GLN 4 2HG GLN 4 -0.294 0.101 -18.184
185 HE21 GLN 4 2HE2 GLN 4 -2.289 1.064 -20.626
186 HE22 GLN 4 1HE2 GLN 4 -1.119 1.881 -21.639
187 H HIS 5 H HIS 5 1.121 -3.814 -17.398
188 HA HIS 5 HA HIS 5 1.014 -2.767 -14.658
189 HB2 HIS 5 1HB HIS 5 3.380 -3.919 -16.204
190 HB3 HIS 5 2HB HIS 5 3.268 -3.700 -14.453
191 HD1 HIS 5 HD1 HIS 5 0.694 -4.965 -13.682
192 HD2 HIS 5 HD2 HIS 5 3.126 -6.604 -16.585
193 HE1 HIS 5 HE1 HIS 5 0.091 -7.455 -13.854
194 HE2 HIS 5 HE2 HIS 5 1.605 -8.423 -15.618
195 H LEU 6 H LEU 6 2.183 -0.945 -13.873
196 HA LEU 6 HA LEU 6 3.547 0.715 -15.957
197 HB2 LEU 6 1HB LEU 6 1.341 1.574 -14.064
198 HB3 LEU 6 2HB LEU 6 2.402 2.703 -14.892
199 HG LEU 6 HG LEU 6 0.577 0.753 -16.320
200 HD11 LEU 6 1HD1 LEU 6 -0.779 2.313 -15.100
201 HD12 LEU 6 2HD1 LEU 6 -0.773 2.798 -16.798
202 HD13 LEU 6 3HD1 LEU 6 0.228 3.670 -15.617
203 HD21 LEU 6 3HD2 LEU 6 2.445 1.431 -17.722
204 HD22 LEU 6 1HD2 LEU 6 2.210 3.141 -17.271
205 HD23 LEU 6 2HD2 LEU 6 0.997 2.300 -18.254
206 H CYS 7 H CYS 7 5.522 1.139 -15.290
207 HA CYS 7 HA CYS 7 5.950 1.855 -12.442
208 HB2 CYS 7 1HB CYS 7 6.392 -0.671 -13.127
209 HB3 CYS 7 2HB CYS 7 7.868 -0.010 -13.836
210 H GLY 8 H GLY 8 8.019 3.015 -12.159
211 HA2 GLY 8 1HA GLY 8 9.593 4.567 -12.828
212 HA3 GLY 8 2HA GLY 8 9.745 3.615 -14.313
213 H SER 9 H SER 9 9.891 5.198 -15.806
214 HA SER 9 HA SER 9 8.411 7.611 -15.850
215 HB2 SER 9 1HB SER 9 9.006 7.475 -18.359
216 HB3 SER 9 2HB SER 9 10.350 7.455 -17.192
217 HG SER 9 HG SER 9 10.621 5.809 -18.717
218 H HIS 10 H HIS 10 7.507 4.359 -16.975
219 HA HIS 10 HA HIS 10 5.375 5.222 -18.702
220 HB2 HIS 10 1HB HIS 10 6.116 2.668 -17.331
221 HB3 HIS 10 2HB HIS 10 4.454 2.845 -17.887
222 HD1 HIS 10 HD1 HIS 10 4.006 2.166 -20.257
223 HD2 HIS 10 HD2 HIS 10 8.022 3.199 -19.614
224 HE1 HIS 10 HE1 HIS 10 5.247 1.716 -22.437
225 HE2 HIS 10 HE2 HIS 10 7.666 2.341 -22.031
226 H LEU 11 H LEU 11 5.555 4.710 -15.188
227 HA LEU 11 HA LEU 11 2.710 4.812 -14.761
228 HB2 LEU 11 1HB LEU 11 4.396 3.948 -13.126
229 HB3 LEU 11 2HB LEU 11 4.996 5.586 -12.914
230 HG LEU 11 HG LEU 11 2.790 6.255 -11.972
231 HD11 LEU 11 1HD1 LEU 11 1.229 4.480 -11.244
232 HD12 LEU 11 2HD1 LEU 11 2.197 3.271 -12.120
233 HD13 LEU 11 3HD1 LEU 11 1.352 4.560 -13.008
234 HD21 LEU 11 3HD2 LEU 11 4.138 3.882 -10.620
235 HD22 LEU 11 1HD2 LEU 11 3.140 5.120 -9.823
236 HD23 LEU 11 2HD2 LEU 11 4.693 5.574 -10.552
237 H VAL 12 H VAL 12 5.306 7.258 -14.748
238 HA VAL 12 HA VAL 12 3.633 9.448 -13.987
239 HB VAL 12 HB VAL 12 6.231 9.456 -15.596
240 HG11 VAL 12 1HG1 VAL 12 5.043 11.604 -15.734
241 HG12 VAL 12 2HG1 VAL 12 4.934 11.660 -13.960
242 HG13 VAL 12 3HG1 VAL 12 6.518 11.748 -14.762
243 HG21 VAL 12 3HG2 VAL 12 7.305 9.900 -13.370
244 HG22 VAL 12 1HG2 VAL 12 5.737 9.593 -12.589
245 HG23 VAL 12 2HG2 VAL 12 6.567 8.292 -13.475
246 H GLU 13 H GLU 13 4.624 8.166 -17.195
247 HA GLU 13 HA GLU 13 3.337 10.243 -18.697
248 HB2 GLU 13 1HB GLU 13 4.132 7.403 -19.376
249 HB3 GLU 13 2HB GLU 13 3.389 8.501 -20.550
250 HG2 GLU 13 1HG GLU 13 5.997 9.000 -19.078
251 HG3 GLU 13 2HG GLU 13 5.836 8.490 -20.763
252 HE2 GLU 13 HE2 GLU 13 5.812 12.216 -19.916
253 H ALA 14 H ALA 14 2.123 7.267 -17.226
254 HA ALA 14 HA ALA 14 -0.374 7.329 -18.689
255 HB1 ALA 14 3HB ALA 14 0.564 5.294 -17.656
256 HB2 ALA 14 1HB ALA 14 0.320 6.019 -16.048
257 HB3 ALA 14 2HB ALA 14 -1.080 5.655 -17.085
258 H LEU 15 H LEU 15 0.851 8.730 -15.656
259 HA LEU 15 HA LEU 15 -1.722 9.548 -14.681
260 HB2 LEU 15 1HB LEU 15 1.087 10.537 -14.157
261 HB3 LEU 15 2HB LEU 15 -0.324 11.251 -13.389
262 HG LEU 15 HG LEU 15 0.453 8.335 -13.106
263 HD11 LEU 15 1HD1 LEU 15 1.223 8.887 -10.874
264 HD12 LEU 15 2HD1 LEU 15 0.829 10.602 -11.131
265 HD13 LEU 15 3HD1 LEU 15 2.129 9.834 -12.073
266 HD21 LEU 15 3HD2 LEU 15 -1.939 8.792 -12.825
267 HD22 LEU 15 1HD2 LEU 15 -1.549 10.032 -11.616
268 HD23 LEU 15 2HD2 LEU 15 -1.163 8.320 -11.318
269 H TYR 16 H TYR 16 0.548 11.016 -16.991
270 HA TYR 16 HA TYR 16 -0.738 13.577 -17.135
271 HB2 TYR 16 1HB TYR 16 0.843 11.931 -19.129
272 HB3 TYR 16 2HB TYR 16 0.044 13.423 -19.617
273 HD1 TYR 16 HD1 TYR 16 0.660 15.614 -18.490
274 HD2 TYR 16 HD2 TYR 16 2.958 12.022 -17.963
275 HE1 TYR 16 HE1 TYR 16 2.601 16.963 -17.685
276 HE2 TYR 16 HE2 TYR 16 4.902 13.377 -17.191
277 HH TYR 16 HH TYR 16 4.762 16.925 -16.923
278 H LEU 17 H LEU 17 -1.497 10.426 -18.626
279 HA LEU 17 HA LEU 17 -3.540 11.515 -20.351
280 HB2 LEU 17 1HB LEU 17 -3.219 8.700 -19.275
281 HB3 LEU 17 2HB LEU 17 -4.258 9.191 -20.597
282 HG LEU 17 HG LEU 17 -1.227 9.370 -20.640
283 HD11 LEU 17 1HD1 LEU 17 -1.315 7.356 -22.041
284 HD12 LEU 17 2HD1 LEU 17 -3.084 7.282 -21.855
285 HD13 LEU 17 3HD1 LEU 17 -2.022 7.037 -20.445
286 HD21 LEU 17 3HD2 LEU 17 -3.303 9.640 -22.853
287 HD22 LEU 17 1HD2 LEU 17 -1.540 9.593 -23.091
288 HD23 LEU 17 2HD2 LEU 17 -2.276 10.939 -22.201
289 H VAL 18 H VAL 18 -3.609 9.943 -17.142
290 HA VAL 18 HA VAL 18 -6.519 9.861 -17.146
291 HB VAL 18 HB VAL 18 -4.504 9.289 -14.926
292 HG11 VAL 18 1HG1 VAL 18 -7.486 8.661 -15.116
293 HG12 VAL 18 2HG1 VAL 18 -6.380 8.004 -13.884
294 HG13 VAL 18 3HG1 VAL 18 -6.699 9.746 -13.944
295 HG21 VAL 18 3HG2 VAL 18 -5.127 6.898 -15.544
296 HG22 VAL 18 1HG2 VAL 18 -5.903 7.557 -16.996
297 HG23 VAL 18 2HG2 VAL 18 -4.157 7.772 -16.739
298 H CYS 19 H CYS 19 -4.052 11.887 -15.531
299 HA CYS 19 HA CYS 19 -6.196 13.413 -14.197
300 HB2 CYS 19 1HB CYS 19 -3.407 13.065 -13.786
301 HB3 CYS 19 2HB CYS 19 -3.655 14.770 -14.199
302 H GLY 20 H GLY 20 -4.566 13.380 -17.267
303 HA2 GLY 20 1HA GLY 20 -4.906 14.756 -19.082
304 HA3 GLY 20 2HA GLY 20 -6.229 15.528 -18.190
305 H GLU 21 H GLU 21 -5.554 17.511 -19.123
306 HA GLU 21 HA GLU 21 -2.936 18.583 -18.753
307 HB2 GLU 21 1HB GLU 21 -5.591 19.920 -19.356
308 HB3 GLU 21 2HB GLU 21 -4.019 20.724 -19.444
309 HG2 GLU 21 1HG GLU 21 -3.289 19.095 -21.161
310 HG3 GLU 21 2HG GLU 21 -4.891 18.343 -21.115
311 HE2 GLU 21 HE2 GLU 21 -4.312 21.262 -23.468
312 H ARG 22 H ARG 22 -5.290 18.191 -16.277
313 HA ARG 22 HA ARG 22 -4.851 20.745 -15.004
314 HB2 ARG 22 1HB ARG 22 -6.311 20.065 -13.429
315 HB3 ARG 22 2HB ARG 22 -6.746 18.926 -14.703
316 HG2 ARG 22 1HG ARG 22 -5.129 17.281 -13.572
317 HG3 ARG 22 2HG ARG 22 -5.077 18.436 -12.221
318 HD2 ARG 22 1HD ARG 22 -6.753 16.937 -11.627
319 HD3 ARG 22 2HD ARG 22 -7.635 18.331 -12.301
320 HE ARG 22 HE ARG 22 -7.050 16.521 -14.397
321 HH11 ARG 22 1HH1 ARG 22 -9.125 16.612 -11.533
322 HH12 ARG 22 2HH1 ARG 22 -10.279 15.504 -12.221
323 HH21 ARG 22 1HH2 ARG 22 -8.539 15.109 -15.193
324 HH22 ARG 22 2HH2 ARG 22 -9.953 14.667 -14.274
325 H GLY 23 H GLY 23 -2.936 17.938 -15.329
326 HA2 GLY 23 1HA GLY 23 -0.732 17.695 -14.588
327 HA3 GLY 23 2HA GLY 23 -0.953 19.052 -13.467
328 H PHE 24 H PHE 24 0.359 17.087 -12.375
329 HA PHE 24 HA PHE 24 -1.383 16.002 -10.315
330 HB2 PHE 24 1HB PHE 24 -0.796 13.646 -10.709
331 HB3 PHE 24 2HB PHE 24 -1.725 14.283 -12.066
332 HD1 PHE 24 HD1 PHE 24 -0.659 14.747 -14.229
333 HD2 PHE 24 HD2 PHE 24 1.523 12.986 -10.981
334 HE1 PHE 24 HE1 PHE 24 1.138 14.085 -15.794
335 HE2 PHE 24 HE2 PHE 24 3.322 12.291 -12.553
336 HZ PHE 24 HZ PHE 24 3.129 12.856 -14.977
337 H PHE 25 H PHE 25 0.306 14.489 -8.966
338 HA PHE 25 HA PHE 25 3.036 15.641 -9.256
339 HB2 PHE 25 1HB PHE 25 3.221 15.937 -6.867
340 HB3 PHE 25 2HB PHE 25 1.801 16.833 -7.419
341 HD1 PHE 25 HD2 PHE 25 -0.510 15.899 -6.976
342 HD2 PHE 25 HD1 PHE 25 3.044 14.127 -5.309
343 HE1 PHE 25 HE2 PHE 25 -1.900 14.642 -5.343
344 HE2 PHE 25 HE1 PHE 25 1.652 12.885 -3.658
345 HZ PHE 25 HZ PHE 25 -0.829 13.132 -3.684
346 H TYR 26 H TYR 26 4.651 14.230 -8.161
347 HA TYR 26 HA TYR 26 3.722 11.503 -7.522
348 HB2 TYR 26 1HB TYR 26 4.178 11.412 -9.951
349 HB3 TYR 26 2HB TYR 26 5.785 12.105 -9.682
350 HD1 TYR 26 HD1 TYR 26 3.640 9.160 -8.712
351 HD2 TYR 26 HD2 TYR 26 7.631 10.673 -9.288
352 HE1 TYR 26 HE1 TYR 26 4.571 6.881 -8.301
353 HE2 TYR 26 HE2 TYR 26 8.544 8.384 -8.910
354 HH TYR 26 HH TYR 26 8.081 6.212 -8.450
355 H THR 27 H THR 27 5.007 10.635 -5.936
356 HA THR 27 HA THR 27 7.380 12.257 -5.146
357 HB THR 27 HB THR 27 5.869 12.865 -3.512
358 HG1 THR 27 HG1 THR 27 7.423 12.208 -2.229
359 HG21 THR 27 1HG2 THR 27 4.406 11.156 -2.359
360 HG22 THR 27 2HG2 THR 27 4.849 10.034 -3.665
361 HG23 THR 27 3HG2 THR 27 3.993 11.543 -4.041
362 HA PRO 28 HA PRO 28 8.856 8.033 -5.770
363 HB2 PRO 28 1HB PRO 28 11.445 8.636 -6.360
364 HB3 PRO 28 2HB PRO 28 10.116 8.922 -7.523
365 HG2 PRO 28 1HG PRO 28 11.466 10.849 -5.680
366 HG3 PRO 28 2HG PRO 28 11.050 11.037 -7.411
367 HD2 PRO 28 1HD PRO 28 9.534 12.044 -5.350
368 HD3 PRO 28 2HD PRO 28 8.804 11.547 -6.912
369 H LYS 29 H LYS 29 10.233 6.582 -4.627
370 HA LYS 29 HA LYS 29 11.944 7.528 -2.483
371 HB2 LYS 29 1HB LYS 29 10.763 6.036 -0.799
372 HB3 LYS 29 2HB LYS 29 10.018 7.581 -1.159
373 HG2 LYS 29 1HG LYS 29 8.588 6.088 -2.890
374 HG3 LYS 29 2HG LYS 29 9.038 4.815 -1.748
375 HD2 LYS 29 1HD LYS 29 7.068 5.551 -0.799
376 HD3 LYS 29 2HD LYS 29 8.215 6.595 0.057
377 HE2 LYS 29 1HE LYS 29 6.709 7.399 -2.483
378 HE3 LYS 29 2HE LYS 29 6.141 7.761 -0.851
379 HZ1 LYS 29 3HZ LYS 29 7.289 9.638 -1.867
380 HZ2 LYS 29 1HZ LYS 29 8.681 8.767 -2.011
381 HZ3 LYS 29 2HZ LYS 29 8.091 9.135 -0.514
382 H THR 30 H THR 30 13.335 5.794 -1.804
383 HA THR 30 HA THR 30 13.406 3.536 -3.752
384 HB THR 30 HB THR 30 15.857 3.454 -2.848
385 HG1 THR 30 HG1 THR 30 16.493 5.533 -2.032
386 HG21 THR 30 1HG2 THR 30 15.225 4.339 -5.143
387 HG22 THR 30 2HG2 THR 30 16.567 5.242 -4.430
388 HG23 THR 30 3HG2 THR 30 14.941 5.939 -4.431
389 HXT THR 30 H02 THR 30 13.400 2.503 -0.020
Start of MODEL 41
1 H1 GLY 1 3H0 GLY 1 6.562 -0.762 -0.636
2 H2 GLY 1 2H0 GLY 1 4.944 -1.008 -0.836
3 H3 GLY 1 1H0 GLY 1 5.960 -1.122 -2.128
4 HA2 GLY 1 1HA GLY 1 5.400 1.337 -0.603
5 HA3 GLY 1 2HA GLY 1 6.503 1.217 -1.986
6 H ILE 2 H ILE 2 4.358 3.044 -2.038
7 HA ILE 2 HA ILE 2 1.941 1.992 -3.052
8 HB ILE 2 HB ILE 2 2.396 4.324 -2.120
9 HG12 ILE 2 1HG1 ILE 2 0.883 4.169 -4.740
10 HG13 ILE 2 2HG1 ILE 2 0.278 3.633 -3.181
11 HG21 ILE 2 1HG2 ILE 2 3.215 6.108 -3.553
12 HG22 ILE 2 2HG2 ILE 2 4.414 4.801 -3.624
13 HG23 ILE 2 3HG2 ILE 2 3.274 5.037 -4.968
14 HD11 ILE 2 3HD1 ILE 2 0.917 6.504 -3.986
15 HD12 ILE 2 1HD1 ILE 2 -0.683 5.800 -3.682
16 HD13 ILE 2 2HD1 ILE 2 0.461 5.999 -2.338
17 H VAL 3 H VAL 3 4.940 2.744 -4.753
18 HA VAL 3 HA VAL 3 3.883 2.746 -7.393
19 HB VAL 3 HB VAL 3 6.093 3.683 -6.723
20 HG11 VAL 3 1HG1 VAL 3 6.814 1.942 -5.144
21 HG12 VAL 3 2HG1 VAL 3 7.029 0.794 -6.495
22 HG13 VAL 3 3HG1 VAL 3 8.046 2.246 -6.381
23 HG21 VAL 3 3HG2 VAL 3 6.361 1.544 -8.863
24 HG22 VAL 3 1HG2 VAL 3 5.635 3.150 -9.086
25 HG23 VAL 3 2HG2 VAL 3 7.357 3.006 -8.685
26 H GLU 4 H GLU 4 4.640 0.107 -5.202
27 HA GLU 4 HA GLU 4 5.148 -1.913 -7.109
28 HB2 GLU 4 1HB GLU 4 5.547 -1.933 -4.591
29 HB3 GLU 4 2HB GLU 4 3.822 -2.259 -4.402
30 HG2 GLU 4 1HG GLU 4 4.921 -4.348 -4.270
31 HG3 GLU 4 2HG GLU 4 4.149 -4.298 -5.858
32 HE2 GLU 4 HE2 GLU 4 5.640 -5.916 -6.120
33 H GLN 5 H GLN 5 2.154 -0.552 -5.820
34 HA GLN 5 HA GLN 5 0.367 -2.616 -6.578
35 HB2 GLN 5 1HB GLN 5 -0.007 0.394 -6.398
36 HB3 GLN 5 2HB GLN 5 -1.331 -0.765 -6.564
37 HG2 GLN 5 1HG GLN 5 -0.845 -1.753 -4.423
38 HG3 GLN 5 2HG GLN 5 0.667 -0.845 -4.278
39 HE21 GLN 5 2HE2 GLN 5 -2.863 -0.410 -4.511
40 HE22 GLN 5 1HE2 GLN 5 -2.892 1.040 -3.537
41 H CYS 6 H CYS 6 1.831 0.014 -8.481
42 HA CYS 6 HA CYS 6 0.137 -0.762 -10.792
43 HB2 CYS 6 1HB CYS 6 2.274 1.379 -10.593
44 HB3 CYS 6 2HB CYS 6 1.126 1.146 -11.911
45 H CYS 7 H CYS 7 3.347 -1.228 -9.524
46 HA CYS 7 HA CYS 7 4.504 -1.869 -12.095
47 HB2 CYS 7 1HB CYS 7 5.382 -1.914 -9.240
48 HB3 CYS 7 2HB CYS 7 6.237 -2.978 -10.362
49 H THR 8 H THR 8 3.423 -3.844 -9.265
50 HA THR 8 HA THR 8 4.212 -6.271 -10.722
51 HB THR 8 HB THR 8 4.536 -5.854 -8.182
52 HG1 THR 8 HG1 THR 8 4.699 -7.907 -9.385
53 HG21 THR 8 1HG2 THR 8 2.764 -6.484 -6.702
54 HG22 THR 8 2HG2 THR 8 1.715 -6.971 -8.045
55 HG23 THR 8 3HG2 THR 8 2.080 -5.252 -7.783
56 H SER 9 H SER 9 1.297 -4.434 -10.186
57 HA SER 9 HA SER 9 -0.122 -6.451 -11.804
58 HB2 SER 9 1HB SER 9 -2.088 -6.391 -10.251
59 HB3 SER 9 2HB SER 9 -0.646 -7.065 -9.463
60 HG SER 9 HG SER 9 -1.710 -5.530 -8.144
61 H ILE 10 H ILE 10 -2.658 -5.235 -11.821
62 HA ILE 10 HA ILE 10 -1.824 -2.978 -13.527
63 HB ILE 10 HB ILE 10 -4.558 -4.313 -13.291
64 HG12 ILE 10 1HG1 ILE 10 -2.856 -5.936 -14.027
65 HG13 ILE 10 2HG1 ILE 10 -4.048 -5.580 -15.272
66 HG21 ILE 10 1HG2 ILE 10 -3.416 -2.403 -15.394
67 HG22 ILE 10 2HG2 ILE 10 -4.985 -3.243 -15.511
68 HG23 ILE 10 3HG2 ILE 10 -4.720 -2.051 -14.234
69 HD11 ILE 10 3HD1 ILE 10 -1.290 -4.316 -15.210
70 HD12 ILE 10 1HD1 ILE 10 -1.707 -5.783 -16.121
71 HD13 ILE 10 2HD1 ILE 10 -2.480 -4.245 -16.516
72 H CYS 11 H CYS 11 -1.877 -0.967 -12.783
73 HA CYS 11 HA CYS 11 -3.933 -0.147 -10.816
74 HB2 CYS 11 1HB CYS 11 -1.646 1.237 -12.229
75 HB3 CYS 11 2HB CYS 11 -2.955 2.180 -11.506
76 H SER 12 H SER 12 -5.942 0.048 -11.592
77 HA SER 12 HA SER 12 -6.484 0.513 -14.419
78 HB2 SER 12 1HB SER 12 -8.828 0.594 -13.701
79 HB3 SER 12 2HB SER 12 -8.014 -0.782 -12.918
80 HG SER 12 HG SER 12 -9.037 0.213 -11.278
81 H LEU 13 H LEU 13 -7.949 2.477 -14.979
82 HA LEU 13 HA LEU 13 -6.495 4.843 -14.467
83 HB2 LEU 13 1HB LEU 13 -8.225 6.000 -15.644
84 HB3 LEU 13 2HB LEU 13 -7.919 4.460 -16.428
85 HG LEU 13 HG LEU 13 -10.036 3.781 -14.838
86 HD11 LEU 13 1HD1 LEU 13 -10.470 6.677 -15.694
87 HD12 LEU 13 2HD1 LEU 13 -10.362 6.083 -14.021
88 HD13 LEU 13 3HD1 LEU 13 -11.718 5.585 -15.049
89 HD21 LEU 13 3HD2 LEU 13 -9.773 3.321 -17.238
90 HD22 LEU 13 1HD2 LEU 13 -10.148 5.024 -17.613
91 HD23 LEU 13 2HD2 LEU 13 -11.386 3.971 -16.884
92 H TYR 14 H TYR 14 -9.144 3.392 -12.645
93 HA TYR 14 HA TYR 14 -9.865 5.765 -11.200
94 HB2 TYR 14 1HB TYR 14 -10.097 2.892 -10.255
95 HB3 TYR 14 2HB TYR 14 -11.101 4.273 -9.780
96 HD1 TYR 14 HD1 TYR 14 -12.560 5.374 -11.650
97 HD2 TYR 14 HD2 TYR 14 -10.700 1.520 -12.086
98 HE1 TYR 14 HE1 TYR 14 -14.111 4.830 -13.530
99 HE2 TYR 14 HE2 TYR 14 -12.239 0.994 -13.983
100 HH TYR 14 HH TYR 14 -14.753 3.267 -15.079
101 H GLN 15 H GLN 15 -7.565 3.095 -10.590
102 HA GLN 15 HA GLN 15 -6.656 4.079 -8.008
103 HB2 GLN 15 1HB GLN 15 -5.091 2.457 -10.062
104 HB3 GLN 15 2HB GLN 15 -4.779 2.580 -8.330
105 HG2 GLN 15 1HG GLN 15 -7.104 1.208 -9.707
106 HG3 GLN 15 2HG GLN 15 -5.804 0.449 -8.790
107 HE21 GLN 15 2HE2 GLN 15 -5.657 1.469 -6.430
108 HE22 GLN 15 1HE2 GLN 15 -7.197 1.563 -5.613
109 H LEU 16 H LEU 16 -5.651 4.572 -11.419
110 HA LEU 16 HA LEU 16 -3.358 6.118 -10.731
111 HB2 LEU 16 1HB LEU 16 -5.039 5.995 -13.221
112 HB3 LEU 16 2HB LEU 16 -3.594 7.003 -13.099
113 HG LEU 16 HG LEU 16 -3.602 4.004 -12.601
114 HD11 LEU 16 1HD1 LEU 16 -4.249 4.479 -14.916
115 HD12 LEU 16 2HD1 LEU 16 -2.644 3.740 -14.815
116 HD13 LEU 16 3HD1 LEU 16 -2.796 5.489 -15.116
117 HD21 LEU 16 3HD2 LEU 16 -1.339 5.990 -13.071
118 HD22 LEU 16 1HD2 LEU 16 -1.148 4.224 -12.969
119 HD23 LEU 16 2HD2 LEU 16 -1.701 5.132 -11.554
120 H GLU 17 H GLU 17 -6.778 7.155 -11.193
121 HA GLU 17 HA GLU 17 -6.189 9.960 -10.987
122 HB2 GLU 17 1HB GLU 17 -8.650 8.327 -10.326
123 HB3 GLU 17 2HB GLU 17 -8.559 10.060 -9.995
124 HG2 GLU 17 1HG GLU 17 -7.884 10.322 -12.457
125 HG3 GLU 17 2HG GLU 17 -8.498 8.674 -12.663
126 HE2 GLU 17 HE2 GLU 17 -11.754 9.611 -12.175
127 H ASN 18 H ASN 18 -6.486 7.428 -8.530
128 HA ASN 18 HA ASN 18 -6.659 9.186 -6.292
129 HB2 ASN 18 1HB ASN 18 -7.133 7.301 -5.310
130 HB3 ASN 18 2HB ASN 18 -6.602 6.396 -6.735
131 HD21 ASN 18 2HD2 ASN 18 -4.442 5.786 -6.905
132 HD22 ASN 18 1HD2 ASN 18 -3.549 5.513 -5.454
133 H TYR 19 H TYR 19 -3.898 8.276 -8.247
134 HA TYR 19 HA TYR 19 -1.902 9.107 -6.295
135 HB2 TYR 19 1HB TYR 19 -1.869 8.700 -9.283
136 HB3 TYR 19 2HB TYR 19 -0.448 9.277 -8.434
137 HD1 TYR 19 HD2 TYR 19 -2.749 6.435 -8.865
138 HD2 TYR 19 HD1 TYR 19 0.894 7.754 -7.065
139 HE1 TYR 19 HE2 TYR 19 -2.213 4.083 -8.296
140 HE2 TYR 19 HE1 TYR 19 1.471 5.387 -6.515
141 HH TYR 19 HH TYR 19 0.738 3.155 -6.526
142 H CYS 20 H CYS 20 -4.062 10.817 -8.450
143 HA CYS 20 HA CYS 20 -2.527 13.322 -7.893
144 HB2 CYS 20 1HB CYS 20 -3.639 14.288 -9.863
145 HB3 CYS 20 2HB CYS 20 -2.583 12.932 -10.225
146 H ASN 21 H ASN 21 -4.078 12.191 -5.954
147 HA ASN 21 HA ASN 21 -6.710 13.400 -5.820
148 HB2 ASN 21 1HB ASN 21 -6.064 11.420 -4.420
149 HB3 ASN 21 2HB ASN 21 -4.907 12.431 -3.545
150 HD21 ASN 21 2HD2 ASN 21 -5.673 12.980 -1.616
151 HD22 ASN 21 1HD2 ASN 21 -7.319 13.452 -1.289
152 HXT ASN 21 H02 ASN 21 -5.971 15.234 -6.598
153 H1 PHE 1 3H0 PHE 1 -8.727 4.577 -22.168
154 H2 PHE 1 2H0 PHE 1 -8.485 3.386 -23.285
155 H3 PHE 1 1H0 PHE 1 -9.449 3.104 -21.979
156 HA PHE 1 HA PHE 1 -6.545 3.597 -21.904
157 HB2 PHE 1 1HB PHE 1 -8.023 4.447 -19.970
158 HB3 PHE 1 2HB PHE 1 -8.337 2.746 -19.607
159 HD1 PHE 1 HD2 PHE 1 -5.641 5.323 -19.905
160 HD2 PHE 1 HD1 PHE 1 -6.730 1.437 -18.394
161 HE1 PHE 1 HE2 PHE 1 -3.515 5.233 -18.615
162 HE2 PHE 1 HE1 PHE 1 -4.603 1.344 -17.097
163 HZ PHE 1 HZ PHE 1 -2.988 3.237 -17.221
164 H VAL 2 H VAL 2 -5.307 1.633 -21.219
165 HA VAL 2 HA VAL 2 -6.772 -0.909 -21.682
166 HB VAL 2 HB VAL 2 -5.751 -0.189 -23.877
167 HG11 VAL 2 1HG1 VAL 2 -3.327 -0.179 -24.183
168 HG12 VAL 2 2HG1 VAL 2 -3.783 1.035 -22.974
169 HG13 VAL 2 3HG1 VAL 2 -3.071 -0.514 -22.458
170 HG21 VAL 2 3HG2 VAL 2 -4.693 -2.317 -24.399
171 HG22 VAL 2 1HG2 VAL 2 -4.405 -2.647 -22.676
172 HG23 VAL 2 2HG2 VAL 2 -6.071 -2.592 -23.317
173 H ASN 3 H ASN 3 -5.845 -2.646 -20.496
174 HA ASN 3 HA ASN 3 -4.475 -1.779 -18.124
175 HB2 ASN 3 1HB ASN 3 -4.387 -4.058 -17.444
176 HB3 ASN 3 2HB ASN 3 -5.990 -3.792 -18.164
177 HD21 ASN 3 2HD2 ASN 3 -6.348 -4.709 -20.322
178 HD22 ASN 3 1HD2 ASN 3 -5.380 -6.065 -20.836
179 H GLN 4 H GLN 4 -2.417 -1.764 -17.568
180 HA GLN 4 HA GLN 4 -0.469 -3.473 -18.843
181 HB2 GLN 4 1HB GLN 4 1.052 -1.596 -19.510
182 HB3 GLN 4 2HB GLN 4 -0.388 -1.729 -20.521
183 HG2 GLN 4 1HG GLN 4 -1.436 0.106 -19.180
184 HG3 GLN 4 2HG GLN 4 0.100 0.306 -18.341
185 HE21 GLN 4 2HE2 GLN 4 -1.762 1.097 -21.057
186 HE22 GLN 4 1HE2 GLN 4 -0.530 1.962 -21.951
187 H HIS 5 H HIS 5 1.196 -3.783 -17.395
188 HA HIS 5 HA HIS 5 1.059 -2.554 -14.741
189 HB2 HIS 5 1HB HIS 5 3.349 -4.070 -16.070
190 HB3 HIS 5 2HB HIS 5 3.224 -3.655 -14.358
191 HD1 HIS 5 HD1 HIS 5 0.535 -4.570 -13.482
192 HD2 HIS 5 HD2 HIS 5 2.770 -6.719 -16.225
193 HE1 HIS 5 HE1 HIS 5 -0.374 -6.973 -13.512
194 HE2 HIS 5 HE2 HIS 5 1.030 -8.248 -15.158
195 H LEU 6 H LEU 6 2.467 -0.916 -13.948
196 HA LEU 6 HA LEU 6 3.869 0.674 -16.067
197 HB2 LEU 6 1HB LEU 6 1.877 1.593 -13.982
198 HB3 LEU 6 2HB LEU 6 2.872 2.681 -14.929
199 HG LEU 6 HG LEU 6 0.889 0.787 -16.195
200 HD11 LEU 6 1HD1 LEU 6 -0.646 2.721 -16.287
201 HD12 LEU 6 2HD1 LEU 6 0.484 3.652 -15.275
202 HD13 LEU 6 3HD1 LEU 6 -0.314 2.201 -14.625
203 HD21 LEU 6 3HD2 LEU 6 2.546 1.648 -17.739
204 HD22 LEU 6 1HD2 LEU 6 2.296 3.307 -17.139
205 HD23 LEU 6 2HD2 LEU 6 1.011 2.479 -18.035
206 H CYS 7 H CYS 7 5.904 1.113 -15.482
207 HA CYS 7 HA CYS 7 6.460 1.697 -12.605
208 HB2 CYS 7 1HB CYS 7 8.168 0.045 -14.512
209 HB3 CYS 7 2HB CYS 7 8.673 0.590 -12.910
210 H GLY 8 H GLY 8 8.305 3.108 -12.302
211 HA2 GLY 8 1HA GLY 8 9.618 4.921 -12.842
212 HA3 GLY 8 2HA GLY 8 9.997 4.010 -14.305
213 H SER 9 H SER 9 10.011 5.429 -15.893
214 HA SER 9 HA SER 9 8.490 7.797 -16.044
215 HB2 SER 9 1HB SER 9 9.083 7.640 -18.516
216 HB3 SER 9 2HB SER 9 10.453 7.537 -17.386
217 HG SER 9 HG SER 9 10.515 5.914 -19.018
218 H HIS 10 H HIS 10 7.620 4.490 -17.081
219 HA HIS 10 HA HIS 10 5.460 5.320 -18.786
220 HB2 HIS 10 1HB HIS 10 6.303 2.784 -17.483
221 HB3 HIS 10 2HB HIS 10 4.597 2.918 -17.904
222 HD1 HIS 10 HD1 HIS 10 3.987 2.236 -20.245
223 HD2 HIS 10 HD2 HIS 10 7.997 3.425 -19.897
224 HE1 HIS 10 HE1 HIS 10 5.069 1.879 -22.524
225 HE2 HIS 10 HE2 HIS 10 7.485 2.598 -22.298
226 H LEU 11 H LEU 11 5.662 4.753 -15.282
227 HA LEU 11 HA LEU 11 2.814 4.832 -14.869
228 HB2 LEU 11 1HB LEU 11 4.493 3.904 -13.272
229 HB3 LEU 11 2HB LEU 11 5.081 5.534 -12.971
230 HG LEU 11 HG LEU 11 2.969 6.157 -11.921
231 HD11 LEU 11 1HD1 LEU 11 1.240 4.452 -11.471
232 HD12 LEU 11 2HD1 LEU 11 2.112 3.300 -12.512
233 HD13 LEU 11 3HD1 LEU 11 1.398 4.783 -13.202
234 HD21 LEU 11 3HD2 LEU 11 4.079 3.493 -10.931
235 HD22 LEU 11 1HD2 LEU 11 3.117 4.643 -9.969
236 HD23 LEU 11 2HD2 LEU 11 4.725 5.115 -10.556
237 H VAL 12 H VAL 12 5.399 7.257 -14.839
238 HA VAL 12 HA VAL 12 3.757 9.472 -14.050
239 HB VAL 12 HB VAL 12 6.363 9.374 -15.647
240 HG11 VAL 12 1HG1 VAL 12 5.197 11.673 -14.063
241 HG12 VAL 12 2HG1 VAL 12 6.730 11.662 -14.959
242 HG13 VAL 12 3HG1 VAL 12 5.195 11.549 -15.837
243 HG21 VAL 12 3HG2 VAL 12 7.422 9.855 -13.421
244 HG22 VAL 12 1HG2 VAL 12 5.831 9.629 -12.655
245 HG23 VAL 12 2HG2 VAL 12 6.626 8.273 -13.484
246 H GLU 13 H GLU 13 4.730 8.160 -17.242
247 HA GLU 13 HA GLU 13 3.496 10.180 -18.841
248 HB2 GLU 13 1HB GLU 13 4.161 7.268 -19.297
249 HB3 GLU 13 2HB GLU 13 3.441 8.266 -20.563
250 HG2 GLU 13 1HG GLU 13 5.341 9.658 -20.730
251 HG3 GLU 13 2HG GLU 13 5.980 9.129 -19.172
252 HE2 GLU 13 HE2 GLU 13 7.489 9.163 -21.115
253 H ALA 14 H ALA 14 2.258 7.201 -17.359
254 HA ALA 14 HA ALA 14 -0.259 7.251 -18.767
255 HB1 ALA 14 3HB ALA 14 0.495 5.982 -16.107
256 HB2 ALA 14 1HB ALA 14 -0.961 5.615 -17.064
257 HB3 ALA 14 2HB ALA 14 0.651 5.223 -17.709
258 H LEU 15 H LEU 15 0.897 8.601 -15.673
259 HA LEU 15 HA LEU 15 -1.677 9.345 -14.708
260 HB2 LEU 15 1HB LEU 15 1.142 10.262 -14.148
261 HB3 LEU 15 2HB LEU 15 -0.225 11.103 -13.426
262 HG LEU 15 HG LEU 15 0.230 8.131 -13.062
263 HD11 LEU 15 1HD1 LEU 15 1.006 10.384 -11.187
264 HD12 LEU 15 2HD1 LEU 15 2.138 9.385 -12.132
265 HD13 LEU 15 3HD1 LEU 15 1.138 8.638 -10.865
266 HD21 LEU 15 3HD2 LEU 15 -1.326 8.344 -11.265
267 HD22 LEU 15 1HD2 LEU 15 -2.071 9.019 -12.714
268 HD23 LEU 15 2HD2 LEU 15 -1.412 10.110 -11.477
269 H TYR 16 H TYR 16 0.536 11.010 -16.960
270 HA TYR 16 HA TYR 16 -0.793 13.547 -16.940
271 HB2 TYR 16 1HB TYR 16 0.683 12.028 -19.119
272 HB3 TYR 16 2HB TYR 16 -0.091 13.580 -19.431
273 HD1 TYR 16 HD1 TYR 16 0.610 15.622 -18.026
274 HD2 TYR 16 HD2 TYR 16 2.875 11.973 -18.172
275 HE1 TYR 16 HE1 TYR 16 2.623 16.828 -17.168
276 HE2 TYR 16 HE2 TYR 16 4.886 13.190 -17.336
277 HH TYR 16 HH TYR 16 4.824 16.658 -16.544
278 H LEU 17 H LEU 17 -1.484 10.528 -18.715
279 HA LEU 17 HA LEU 17 -3.593 11.710 -20.284
280 HB2 LEU 17 1HB LEU 17 -3.083 8.815 -19.548
281 HB3 LEU 17 2HB LEU 17 -4.186 9.389 -20.789
282 HG LEU 17 HG LEU 17 -1.174 9.797 -20.848
283 HD11 LEU 17 1HD1 LEU 17 -1.773 7.411 -20.948
284 HD12 LEU 17 2HD1 LEU 17 -1.149 7.986 -22.508
285 HD13 LEU 17 3HD1 LEU 17 -2.899 7.743 -22.290
286 HD21 LEU 17 3HD2 LEU 17 -3.316 10.189 -22.983
287 HD22 LEU 17 1HD2 LEU 17 -1.560 10.301 -23.253
288 HD23 LEU 17 2HD2 LEU 17 -2.366 11.466 -22.187
289 H VAL 18 H VAL 18 -3.547 9.830 -17.251
290 HA VAL 18 HA VAL 18 -6.446 9.564 -17.260
291 HB VAL 18 HB VAL 18 -4.394 8.984 -15.076
292 HG11 VAL 18 1HG1 VAL 18 -6.547 9.249 -14.054
293 HG12 VAL 18 2HG1 VAL 18 -7.343 8.287 -15.320
294 HG13 VAL 18 3HG1 VAL 18 -6.227 7.518 -14.173
295 HG21 VAL 18 3HG2 VAL 18 -5.728 7.228 -17.175
296 HG22 VAL 18 1HG2 VAL 18 -3.998 7.604 -17.022
297 HG23 VAL 18 2HG2 VAL 18 -4.793 6.613 -15.797
298 H CYS 19 H CYS 19 -4.093 11.592 -15.469
299 HA CYS 19 HA CYS 19 -6.288 12.838 -13.978
300 HB2 CYS 19 1HB CYS 19 -3.358 13.595 -14.181
301 HB3 CYS 19 2HB CYS 19 -4.523 14.234 -13.008
302 H GLY 20 H GLY 20 -4.740 13.212 -17.066
303 HA2 GLY 20 1HA GLY 20 -5.316 14.630 -18.777
304 HA3 GLY 20 2HA GLY 20 -6.657 15.213 -17.783
305 H GLU 21 H GLU 21 -6.336 17.305 -18.565
306 HA GLU 21 HA GLU 21 -3.891 18.736 -18.430
307 HB2 GLU 21 1HB GLU 21 -6.020 19.254 -19.737
308 HB3 GLU 21 2HB GLU 21 -6.682 19.919 -18.241
309 HG2 GLU 21 1HG GLU 21 -4.052 21.048 -18.796
310 HG3 GLU 21 2HG GLU 21 -5.125 21.239 -20.187
311 HE2 GLU 21 HE2 GLU 21 -4.722 21.800 -16.918
312 H ARG 22 H ARG 22 -5.885 17.741 -15.824
313 HA ARG 22 HA ARG 22 -5.517 19.980 -14.035
314 HB2 ARG 22 1HB ARG 22 -5.887 17.012 -13.481
315 HB3 ARG 22 2HB ARG 22 -5.949 18.276 -12.254
316 HG2 ARG 22 1HG ARG 22 -7.914 19.265 -13.291
317 HG3 ARG 22 2HG ARG 22 -7.851 18.090 -14.617
318 HD2 ARG 22 1HD ARG 22 -8.161 17.315 -11.691
319 HD3 ARG 22 2HD ARG 22 -9.525 17.560 -12.802
320 HE ARG 22 HE ARG 22 -7.705 15.740 -14.012
321 HH11 ARG 22 1HH1 ARG 22 -9.938 15.776 -11.262
322 HH12 ARG 22 2HH1 ARG 22 -10.225 14.059 -11.370
323 HH21 ARG 22 1HH2 ARG 22 -8.156 13.573 -14.084
324 HH22 ARG 22 2HH2 ARG 22 -9.246 12.839 -12.927
325 H GLY 23 H GLY 23 -3.446 17.392 -15.152
326 HA2 GLY 23 1HA GLY 23 -1.167 17.116 -14.749
327 HA3 GLY 23 2HA GLY 23 -1.209 18.492 -13.619
328 H PHE 24 H PHE 24 0.222 16.799 -12.446
329 HA PHE 24 HA PHE 24 -1.388 15.597 -10.351
330 HB2 PHE 24 1HB PHE 24 -0.568 13.310 -10.646
331 HB3 PHE 24 2HB PHE 24 -1.524 13.809 -12.044
332 HD1 PHE 24 HD1 PHE 24 -0.465 14.298 -14.188
333 HD2 PHE 24 HD2 PHE 24 1.777 12.815 -10.840
334 HE1 PHE 24 HE1 PHE 24 1.381 13.687 -15.687
335 HE2 PHE 24 HE2 PHE 24 3.629 12.180 -12.356
336 HZ PHE 24 HZ PHE 24 3.429 12.644 -14.809
337 H PHE 25 H PHE 25 0.276 14.238 -8.963
338 HA PHE 25 HA PHE 25 2.980 15.446 -8.992
339 HB2 PHE 25 1HB PHE 25 2.776 15.820 -6.519
340 HB3 PHE 25 2HB PHE 25 1.726 16.889 -7.457
341 HD1 PHE 25 HD2 PHE 25 1.796 13.936 -5.204
342 HD2 PHE 25 HD1 PHE 25 -0.693 16.741 -7.317
343 HE1 PHE 25 HE2 PHE 25 -0.185 13.145 -3.917
344 HE2 PHE 25 HE1 PHE 25 -2.677 15.965 -6.023
345 HZ PHE 25 HZ PHE 25 -2.424 14.165 -4.319
346 H TYR 26 H TYR 26 4.305 14.053 -7.359
347 HA TYR 26 HA TYR 26 3.053 11.458 -6.762
348 HB2 TYR 26 1HB TYR 26 4.211 11.451 -9.120
349 HB3 TYR 26 2HB TYR 26 5.718 11.459 -8.193
350 HD1 TYR 26 HD1 TYR 26 6.214 9.508 -6.647
351 HD2 TYR 26 HD2 TYR 26 2.828 9.502 -9.286
352 HE1 TYR 26 HE1 TYR 26 5.966 7.053 -6.316
353 HE2 TYR 26 HE2 TYR 26 2.603 7.041 -8.989
354 HH TYR 26 HH TYR 26 3.397 5.181 -7.981
355 H THR 27 H THR 27 3.769 10.820 -4.771
356 HA THR 27 HA THR 27 6.215 12.157 -3.732
357 HB THR 27 HB THR 27 4.584 13.508 -2.789
358 HG1 THR 27 HG1 THR 27 4.764 13.055 -0.652
359 HG21 THR 27 1HG2 THR 27 2.554 12.541 -1.642
360 HG22 THR 27 2HG2 THR 27 2.962 10.988 -2.404
361 HG23 THR 27 3HG2 THR 27 2.577 12.403 -3.410
362 HA PRO 28 HA PRO 28 6.562 7.752 -2.738
363 HB2 PRO 28 1HB PRO 28 9.156 7.401 -3.426
364 HB3 PRO 28 2HB PRO 28 7.875 7.504 -4.679
365 HG2 PRO 28 1HG PRO 28 9.755 9.619 -3.687
366 HG3 PRO 28 2HG PRO 28 9.347 9.179 -5.374
367 HD2 PRO 28 1HD PRO 28 8.177 11.284 -3.999
368 HD3 PRO 28 2HD PRO 28 7.341 10.392 -5.306
369 H LYS 29 H LYS 29 7.519 6.831 -0.864
370 HA LYS 29 HA LYS 29 9.562 8.285 0.615
371 HB2 LYS 29 1HB LYS 29 8.162 8.322 2.695
372 HB3 LYS 29 2HB LYS 29 7.700 9.496 1.470
373 HG2 LYS 29 1HG LYS 29 5.838 7.965 0.769
374 HG3 LYS 29 2HG LYS 29 6.252 6.912 2.139
375 HD2 LYS 29 1HD LYS 29 5.845 8.779 3.700
376 HD3 LYS 29 2HD LYS 29 5.524 9.865 2.335
377 HE2 LYS 29 1HE LYS 29 3.407 9.180 3.264
378 HE3 LYS 29 2HE LYS 29 3.599 8.421 1.671
379 HZ1 LYS 29 3HZ LYS 29 4.082 7.101 4.281
380 HZ2 LYS 29 1HZ LYS 29 4.291 6.391 2.805
381 HZ3 LYS 29 2HZ LYS 29 2.782 6.845 3.296
382 H THR 30 H THR 30 10.656 6.926 1.976
383 HA THR 30 HA THR 30 9.784 4.217 2.555
384 HB THR 30 HB THR 30 10.362 4.011 0.130
385 HG1 THR 30 HG1 THR 30 12.105 2.749 2.015
386 HG21 THR 30 1HG2 THR 30 12.138 5.742 -0.070
387 HG22 THR 30 2HG2 THR 30 12.737 4.162 -0.584
388 HG23 THR 30 3HG2 THR 30 13.202 4.801 0.996
389 HXT THR 30 H02 THR 30 12.817 5.916 4.149
Start of MODEL 42
1 H1 GLY 1 3H0 GLY 1 5.837 1.442 -0.214
2 H2 GLY 1 2H0 GLY 1 4.308 0.909 -0.521
3 H3 GLY 1 1H0 GLY 1 5.464 0.804 -1.690
4 HA2 GLY 1 1HA GLY 1 4.359 3.313 -0.579
5 HA3 GLY 1 2HA GLY 1 5.623 3.213 -1.822
6 H ILE 2 H ILE 2 3.256 4.641 -2.417
7 HA ILE 2 HA ILE 2 1.211 2.974 -3.464
8 HB ILE 2 HB ILE 2 0.986 5.400 -2.864
9 HG12 ILE 2 1HG1 ILE 2 0.039 4.645 -5.643
10 HG13 ILE 2 2HG1 ILE 2 -0.701 4.118 -4.139
11 HG21 ILE 2 1HG2 ILE 2 2.251 5.978 -5.583
12 HG22 ILE 2 2HG2 ILE 2 1.622 7.164 -4.421
13 HG23 ILE 2 3HG2 ILE 2 3.069 6.221 -4.024
14 HD11 ILE 2 3HD1 ILE 2 -1.182 6.542 -3.590
15 HD12 ILE 2 1HD1 ILE 2 -0.578 6.976 -5.209
16 HD13 ILE 2 2HD1 ILE 2 -2.012 5.944 -5.044
17 H VAL 3 H VAL 3 4.106 4.297 -5.088
18 HA VAL 3 HA VAL 3 3.465 3.514 -7.725
19 HB VAL 3 HB VAL 3 5.301 5.041 -7.265
20 HG11 VAL 3 1HG1 VAL 3 7.425 4.331 -6.217
21 HG12 VAL 3 2HG1 VAL 3 6.065 4.189 -5.093
22 HG13 VAL 3 3HG1 VAL 3 6.732 2.732 -5.875
23 HG21 VAL 3 3HG2 VAL 3 6.536 2.503 -8.414
24 HG22 VAL 3 1HG2 VAL 3 5.464 3.593 -9.311
25 HG23 VAL 3 2HG2 VAL 3 7.028 4.186 -8.718
26 H GLU 4 H GLU 4 4.561 1.584 -5.023
27 HA GLU 4 HA GLU 4 5.566 -0.657 -6.468
28 HB2 GLU 4 1HB GLU 4 5.831 -0.050 -4.022
29 HB3 GLU 4 2HB GLU 4 4.187 -0.640 -3.770
30 HG2 GLU 4 1HG GLU 4 4.864 -2.878 -4.468
31 HG3 GLU 4 2HG GLU 4 6.508 -2.292 -4.771
32 HE2 GLU 4 HE2 GLU 4 6.580 -3.726 -1.561
33 H GLN 5 H GLN 5 2.272 0.287 -5.462
34 HA GLN 5 HA GLN 5 1.032 -2.236 -5.947
35 HB2 GLN 5 1HB GLN 5 0.029 -0.268 -4.724
36 HB3 GLN 5 2HB GLN 5 -0.189 0.529 -6.286
37 HG2 GLN 5 1HG GLN 5 -1.659 -1.332 -7.019
38 HG3 GLN 5 2HG GLN 5 -1.440 -2.112 -5.444
39 HE21 GLN 5 2HE2 GLN 5 -3.007 -1.758 -4.020
40 HE22 GLN 5 1HE2 GLN 5 -4.061 -0.363 -3.997
41 H CYS 6 H CYS 6 1.694 0.560 -8.075
42 HA CYS 6 HA CYS 6 0.279 -0.697 -10.297
43 HB2 CYS 6 1HB CYS 6 2.067 1.749 -10.247
44 HB3 CYS 6 2HB CYS 6 0.963 1.271 -11.545
45 H CYS 7 H CYS 7 3.423 -0.945 -8.997
46 HA CYS 7 HA CYS 7 4.625 -1.718 -11.553
47 HB2 CYS 7 1HB CYS 7 5.524 -1.642 -8.679
48 HB3 CYS 7 2HB CYS 7 6.395 -2.657 -9.837
49 H THR 8 H THR 8 3.418 -3.309 -8.558
50 HA THR 8 HA THR 8 3.987 -5.947 -9.682
51 HB THR 8 HB THR 8 4.213 -5.388 -7.220
52 HG1 THR 8 HG1 THR 8 3.371 -7.430 -6.620
53 HG21 THR 8 1HG2 THR 8 1.199 -5.736 -7.163
54 HG22 THR 8 2HG2 THR 8 2.009 -4.157 -7.041
55 HG23 THR 8 3HG2 THR 8 2.284 -5.394 -5.801
56 H SER 9 H SER 9 1.214 -3.788 -9.589
57 HA SER 9 HA SER 9 -0.243 -5.885 -11.089
58 HB2 SER 9 1HB SER 9 -1.005 -5.843 -8.646
59 HB3 SER 9 2HB SER 9 -1.582 -4.186 -8.922
60 HG SER 9 HG SER 9 -3.114 -6.037 -9.222
61 H ILE 10 H ILE 10 -2.491 -4.666 -11.807
62 HA ILE 10 HA ILE 10 -1.253 -3.249 -13.957
63 HB ILE 10 HB ILE 10 -4.176 -3.816 -13.333
64 HG12 ILE 10 1HG1 ILE 10 -2.755 -5.808 -13.649
65 HG13 ILE 10 2HG1 ILE 10 -3.974 -5.637 -14.908
66 HG21 ILE 10 1HG2 ILE 10 -4.568 -3.392 -15.803
67 HG22 ILE 10 2HG2 ILE 10 -4.221 -1.942 -14.847
68 HG23 ILE 10 3HG2 ILE 10 -2.948 -2.646 -15.863
69 HD11 ILE 10 3HD1 ILE 10 -1.832 -6.386 -15.838
70 HD12 ILE 10 1HD1 ILE 10 -2.255 -4.788 -16.468
71 HD13 ILE 10 2HD1 ILE 10 -1.030 -4.937 -15.208
72 H CYS 11 H CYS 11 -3.433 -2.002 -11.403
73 HA CYS 11 HA CYS 11 -4.204 0.104 -10.990
74 HB2 CYS 11 1HB CYS 11 -1.510 0.813 -12.128
75 HB3 CYS 11 2HB CYS 11 -2.674 2.051 -11.656
76 H SER 12 H SER 12 -5.960 -0.283 -12.403
77 HA SER 12 HA SER 12 -5.965 0.656 -15.143
78 HB2 SER 12 1HB SER 12 -8.432 0.576 -14.875
79 HB3 SER 12 2HB SER 12 -7.668 -0.908 -14.266
80 HG SER 12 HG SER 12 -9.044 -0.304 -12.683
81 H LEU 13 H LEU 13 -7.406 2.631 -15.744
82 HA LEU 13 HA LEU 13 -6.212 4.939 -14.733
83 HB2 LEU 13 1HB LEU 13 -7.776 6.189 -15.999
84 HB3 LEU 13 2HB LEU 13 -7.393 4.724 -16.889
85 HG LEU 13 HG LEU 13 -9.678 3.931 -15.627
86 HD11 LEU 13 1HD1 LEU 13 -11.316 5.778 -15.810
87 HD12 LEU 13 2HD1 LEU 13 -10.006 6.908 -16.221
88 HD13 LEU 13 3HD1 LEU 13 -10.066 6.155 -14.611
89 HD21 LEU 13 3HD2 LEU 13 -9.159 3.722 -18.019
90 HD22 LEU 13 1HD2 LEU 13 -9.472 5.460 -18.248
91 HD23 LEU 13 2HD2 LEU 13 -10.794 4.366 -17.774
92 H TYR 14 H TYR 14 -9.030 3.275 -13.435
93 HA TYR 14 HA TYR 14 -9.991 5.456 -11.843
94 HB2 TYR 14 1HB TYR 14 -10.256 2.487 -11.286
95 HB3 TYR 14 2HB TYR 14 -11.345 3.782 -10.764
96 HD1 TYR 14 HD2 TYR 14 -12.624 5.090 -12.617
97 HD2 TYR 14 HD1 TYR 14 -10.573 1.381 -13.370
98 HE1 TYR 14 HE2 TYR 14 -13.921 4.791 -14.731
99 HE2 TYR 14 HE1 TYR 14 -11.867 1.100 -15.487
100 HH TYR 14 HH TYR 14 -14.312 3.458 -16.555
101 H GLN 15 H GLN 15 -7.635 2.855 -11.298
102 HA GLN 15 HA GLN 15 -7.131 3.472 -8.486
103 HB2 GLN 15 1HB GLN 15 -5.445 2.012 -10.533
104 HB3 GLN 15 2HB GLN 15 -5.223 2.015 -8.780
105 HG2 GLN 15 1HG GLN 15 -7.693 1.162 -8.742
106 HG3 GLN 15 2HG GLN 15 -7.370 0.710 -10.428
107 HE21 GLN 15 2HE2 GLN 15 -6.272 0.385 -7.104
108 HE22 GLN 15 1HE2 GLN 15 -5.479 -1.136 -7.327
109 H LEU 16 H LEU 16 -5.788 4.355 -11.652
110 HA LEU 16 HA LEU 16 -3.492 5.722 -10.666
111 HB2 LEU 16 1HB LEU 16 -5.044 5.991 -13.240
112 HB3 LEU 16 2HB LEU 16 -3.564 6.880 -12.912
113 HG LEU 16 HG LEU 16 -3.792 3.853 -12.946
114 HD11 LEU 16 1HD1 LEU 16 -4.071 4.781 -15.181
115 HD12 LEU 16 2HD1 LEU 16 -2.497 3.985 -15.029
116 HD13 LEU 16 3HD1 LEU 16 -2.599 5.762 -14.981
117 HD21 LEU 16 3HD2 LEU 16 -1.315 3.900 -12.975
118 HD22 LEU 16 1HD2 LEU 16 -1.980 4.563 -11.475
119 HD23 LEU 16 2HD2 LEU 16 -1.358 5.662 -12.729
120 H GLU 17 H GLU 17 -6.863 6.800 -11.002
121 HA GLU 17 HA GLU 17 -6.333 9.587 -10.673
122 HB2 GLU 17 1HB GLU 17 -8.719 7.881 -9.919
123 HB3 GLU 17 2HB GLU 17 -8.650 9.620 -9.618
124 HG2 GLU 17 1HG GLU 17 -8.032 9.779 -12.142
125 HG3 GLU 17 2HG GLU 17 -8.768 8.173 -12.237
126 HE2 GLU 17 HE2 GLU 17 -10.675 8.283 -10.679
127 H ASN 18 H ASN 18 -5.835 7.047 -8.374
128 HA ASN 18 HA ASN 18 -6.222 8.600 -5.973
129 HB2 ASN 18 1HB ASN 18 -4.447 6.208 -6.582
130 HB3 ASN 18 2HB ASN 18 -4.591 6.937 -4.979
131 HD21 ASN 18 2HD2 ASN 18 -5.315 4.250 -5.987
132 HD22 ASN 18 1HD2 ASN 18 -6.996 4.059 -5.548
133 H TYR 19 H TYR 19 -3.724 8.520 -8.416
134 HA TYR 19 HA TYR 19 -1.657 9.848 -6.799
135 HB2 TYR 19 1HB TYR 19 -2.009 9.197 -9.714
136 HB3 TYR 19 2HB TYR 19 -0.594 10.038 -9.125
137 HD1 TYR 19 HD2 TYR 19 -2.455 6.796 -8.912
138 HD2 TYR 19 HD1 TYR 19 1.221 8.893 -8.154
139 HE1 TYR 19 HE2 TYR 19 -1.308 4.641 -8.488
140 HE2 TYR 19 HE1 TYR 19 2.357 6.731 -7.746
141 HH TYR 19 HH TYR 19 0.646 3.616 -7.939
142 H CYS 20 H CYS 20 -4.532 10.928 -8.232
143 HA CYS 20 HA CYS 20 -3.490 13.153 -9.742
144 HB2 CYS 20 1HB CYS 20 -5.882 11.811 -9.612
145 HB3 CYS 20 2HB CYS 20 -6.282 13.339 -8.828
146 H ASN 21 H ASN 21 -3.398 15.260 -9.331
147 HA ASN 21 HA ASN 21 -3.005 16.119 -6.590
148 HB2 ASN 21 1HB ASN 21 -1.712 17.020 -8.567
149 HB3 ASN 21 2HB ASN 21 -3.202 17.757 -9.161
150 HD21 ASN 21 2HD2 ASN 21 -3.266 19.835 -8.807
151 HD22 ASN 21 1HD2 ASN 21 -2.681 20.629 -7.363
152 HXT ASN 21 H02 ASN 21 -6.542 17.334 -7.596
153 H1 PHE 1 3H0 PHE 1 -7.849 4.027 -22.917
154 H2 PHE 1 2H0 PHE 1 -7.325 2.890 -23.995
155 H3 PHE 1 1H0 PHE 1 -8.493 2.506 -22.898
156 HA PHE 1 HA PHE 1 -5.691 3.170 -22.272
157 HB2 PHE 1 1HB PHE 1 -7.626 3.827 -20.644
158 HB3 PHE 1 2HB PHE 1 -7.768 2.090 -20.347
159 HD1 PHE 1 HD2 PHE 1 -5.557 5.065 -20.037
160 HD2 PHE 1 HD1 PHE 1 -6.106 0.914 -19.008
161 HE1 PHE 1 HE2 PHE 1 -3.686 5.225 -18.405
162 HE2 PHE 1 HE1 PHE 1 -4.231 1.072 -17.373
163 HZ PHE 1 HZ PHE 1 -3.012 3.227 -17.086
164 H VAL 2 H VAL 2 -4.473 1.248 -21.426
165 HA VAL 2 HA VAL 2 -5.726 -1.349 -22.122
166 HB VAL 2 HB VAL 2 -4.403 -0.547 -24.144
167 HG11 VAL 2 1HG1 VAL 2 -1.970 -0.902 -22.349
168 HG12 VAL 2 2HG1 VAL 2 -1.968 -0.524 -24.085
169 HG13 VAL 2 3HG1 VAL 2 -2.602 0.660 -22.924
170 HG21 VAL 2 3HG2 VAL 2 -3.284 -2.666 -24.547
171 HG22 VAL 2 1HG2 VAL 2 -3.248 -3.030 -22.806
172 HG23 VAL 2 2HG2 VAL 2 -4.802 -2.961 -23.676
173 H ASN 3 H ASN 3 -4.949 -3.060 -20.853
174 HA ASN 3 HA ASN 3 -3.775 -2.218 -18.332
175 HB2 ASN 3 1HB ASN 3 -3.733 -4.757 -17.939
176 HB3 ASN 3 2HB ASN 3 -5.326 -3.987 -18.105
177 HD21 ASN 3 2HD2 ASN 3 -3.563 -6.622 -18.984
178 HD22 ASN 3 1HD2 ASN 3 -4.415 -7.057 -20.446
179 H GLN 4 H GLN 4 -1.737 -2.089 -17.808
180 HA GLN 4 HA GLN 4 0.093 -4.225 -18.510
181 HB2 GLN 4 1HB GLN 4 1.854 -2.796 -19.440
182 HB3 GLN 4 2HB GLN 4 0.433 -2.731 -20.486
183 HG2 GLN 4 1HG GLN 4 -0.190 -0.542 -19.447
184 HG3 GLN 4 2HG GLN 4 1.301 -0.605 -18.496
185 HE21 GLN 4 2HE2 GLN 4 0.047 -0.583 -21.820
186 HE22 GLN 4 1HE2 GLN 4 1.433 0.220 -22.517
187 H HIS 5 H HIS 5 1.735 -4.213 -16.893
188 HA HIS 5 HA HIS 5 1.188 -2.641 -14.494
189 HB2 HIS 5 1HB HIS 5 3.644 -4.272 -15.277
190 HB3 HIS 5 2HB HIS 5 3.315 -3.602 -13.674
191 HD1 HIS 5 HD1 HIS 5 0.543 -4.387 -13.017
192 HD2 HIS 5 HD2 HIS 5 3.058 -6.931 -15.076
193 HE1 HIS 5 HE1 HIS 5 -0.380 -6.768 -12.739
194 HE2 HIS 5 HE2 HIS 5 1.192 -8.285 -13.982
195 H LEU 6 H LEU 6 2.433 -0.868 -13.700
196 HA LEU 6 HA LEU 6 4.001 0.549 -15.832
197 HB2 LEU 6 1HB LEU 6 1.784 1.569 -14.045
198 HB3 LEU 6 2HB LEU 6 2.809 2.610 -15.019
199 HG LEU 6 HG LEU 6 1.060 0.478 -16.253
200 HD11 LEU 6 1HD1 LEU 6 -0.592 2.286 -16.646
201 HD12 LEU 6 2HD1 LEU 6 0.369 3.365 -15.609
202 HD13 LEU 6 3HD1 LEU 6 -0.389 1.904 -14.928
203 HD21 LEU 6 3HD2 LEU 6 1.216 1.970 -18.229
204 HD22 LEU 6 1HD2 LEU 6 2.800 1.366 -17.714
205 HD23 LEU 6 2HD2 LEU 6 2.307 3.037 -17.324
206 H CYS 7 H CYS 7 5.968 1.096 -15.128
207 HA CYS 7 HA CYS 7 6.266 2.004 -12.287
208 HB2 CYS 7 1HB CYS 7 8.238 0.392 -13.953
209 HB3 CYS 7 2HB CYS 7 8.562 1.059 -12.351
210 H GLY 8 H GLY 8 7.930 3.609 -11.964
211 HA2 GLY 8 1HA GLY 8 9.197 5.440 -12.559
212 HA3 GLY 8 2HA GLY 8 9.742 4.438 -13.907
213 H SER 9 H SER 9 9.799 5.740 -15.610
214 HA SER 9 HA SER 9 8.104 7.962 -16.047
215 HB2 SER 9 1HB SER 9 8.967 7.762 -18.416
216 HB3 SER 9 2HB SER 9 10.220 7.804 -17.155
217 HG SER 9 HG SER 9 10.602 6.139 -18.671
218 H HIS 10 H HIS 10 7.600 4.526 -16.888
219 HA HIS 10 HA HIS 10 5.511 5.019 -18.819
220 HB2 HIS 10 1HB HIS 10 6.301 2.681 -17.101
221 HB3 HIS 10 2HB HIS 10 4.689 2.698 -17.802
222 HD1 HIS 10 HD1 HIS 10 4.577 1.362 -19.914
223 HD2 HIS 10 HD2 HIS 10 8.248 3.371 -19.464
224 HE1 HIS 10 HE1 HIS 10 5.981 0.828 -21.967
225 HE2 HIS 10 HE2 HIS 10 8.189 2.032 -21.680
226 H LEU 11 H LEU 11 5.541 4.685 -15.263
227 HA LEU 11 HA LEU 11 2.673 4.820 -15.023
228 HB2 LEU 11 1HB LEU 11 4.259 3.906 -13.297
229 HB3 LEU 11 2HB LEU 11 4.804 5.549 -12.980
230 HG LEU 11 HG LEU 11 2.537 6.154 -12.192
231 HD11 LEU 11 1HD1 LEU 11 1.184 4.564 -13.470
232 HD12 LEU 11 2HD1 LEU 11 0.905 4.364 -11.732
233 HD13 LEU 11 3HD1 LEU 11 1.938 3.204 -12.595
234 HD21 LEU 11 3HD2 LEU 11 4.220 5.353 -10.610
235 HD22 LEU 11 1HD2 LEU 11 3.718 3.666 -10.893
236 HD23 LEU 11 2HD2 LEU 11 2.608 4.824 -10.119
237 H VAL 12 H VAL 12 5.311 7.227 -14.812
238 HA VAL 12 HA VAL 12 3.692 9.448 -14.105
239 HB VAL 12 HB VAL 12 6.290 9.302 -15.710
240 HG11 VAL 12 1HG1 VAL 12 4.985 11.723 -14.416
241 HG12 VAL 12 2HG1 VAL 12 6.608 11.680 -15.134
242 HG13 VAL 12 3HG1 VAL 12 5.183 11.445 -16.164
243 HG21 VAL 12 3HG2 VAL 12 5.757 9.947 -12.772
244 HG22 VAL 12 1HG2 VAL 12 6.430 8.425 -13.384
245 HG23 VAL 12 2HG2 VAL 12 7.350 9.929 -13.564
246 H GLU 13 H GLU 13 4.599 8.234 -17.397
247 HA GLU 13 HA GLU 13 3.152 10.373 -18.687
248 HB2 GLU 13 1HB GLU 13 4.070 7.683 -19.742
249 HB3 GLU 13 2HB GLU 13 3.357 8.969 -20.728
250 HG2 GLU 13 1HG GLU 13 5.971 9.090 -19.191
251 HG3 GLU 13 2HG GLU 13 5.763 9.084 -20.946
252 HE2 GLU 13 HE2 GLU 13 4.508 12.371 -20.860
253 H ALA 14 H ALA 14 2.181 7.217 -17.452
254 HA ALA 14 HA ALA 14 -0.346 7.173 -18.866
255 HB1 ALA 14 3HB ALA 14 0.451 5.887 -16.219
256 HB2 ALA 14 1HB ALA 14 -0.974 5.475 -17.198
257 HB3 ALA 14 2HB ALA 14 0.659 5.154 -17.827
258 H LEU 15 H LEU 15 0.816 8.438 -15.740
259 HA LEU 15 HA LEU 15 -1.744 9.239 -14.764
260 HB2 LEU 15 1HB LEU 15 1.083 10.138 -14.171
261 HB3 LEU 15 2HB LEU 15 -0.316 10.813 -13.346
262 HG LEU 15 HG LEU 15 0.361 7.867 -13.312
263 HD11 LEU 15 1HD1 LEU 15 2.120 9.220 -12.197
264 HD12 LEU 15 2HD1 LEU 15 1.214 8.174 -11.083
265 HD13 LEU 15 3HD1 LEU 15 0.863 9.915 -11.144
266 HD21 LEU 15 3HD2 LEU 15 -1.959 8.305 -12.965
267 HD22 LEU 15 1HD2 LEU 15 -1.580 9.587 -11.801
268 HD23 LEU 15 2HD2 LEU 15 -1.215 7.886 -11.421
269 H TYR 16 H TYR 16 0.602 10.895 -16.859
270 HA TYR 16 HA TYR 16 -0.592 13.479 -16.811
271 HB2 TYR 16 1HB TYR 16 1.001 11.917 -18.829
272 HB3 TYR 16 2HB TYR 16 0.154 13.366 -19.367
273 HD1 TYR 16 HD2 TYR 16 0.575 15.572 -18.049
274 HD2 TYR 16 HD1 TYR 16 3.152 12.138 -17.821
275 HE1 TYR 16 HE2 TYR 16 2.438 17.012 -17.218
276 HE2 TYR 16 HE1 TYR 16 5.013 13.587 -17.024
277 HH TYR 16 HH TYR 16 5.667 15.700 -16.460
278 H LEU 17 H LEU 17 -1.439 10.540 -18.669
279 HA LEU 17 HA LEU 17 -3.467 11.882 -20.220
280 HB2 LEU 17 1HB LEU 17 -3.186 8.954 -19.502
281 HB3 LEU 17 2HB LEU 17 -4.240 9.626 -20.732
282 HG LEU 17 HG LEU 17 -1.212 9.789 -20.828
283 HD11 LEU 17 1HD1 LEU 17 -1.331 7.914 -22.414
284 HD12 LEU 17 2HD1 LEU 17 -3.090 7.806 -22.173
285 HD13 LEU 17 3HD1 LEU 17 -1.977 7.444 -20.829
286 HD21 LEU 17 3HD2 LEU 17 -1.586 10.246 -23.235
287 HD22 LEU 17 1HD2 LEU 17 -2.321 11.488 -22.204
288 HD23 LEU 17 2HD2 LEU 17 -3.345 10.242 -22.954
289 H VAL 18 H VAL 18 -3.554 9.903 -17.246
290 HA VAL 18 HA VAL 18 -6.429 9.756 -17.186
291 HB VAL 18 HB VAL 18 -4.344 9.338 -14.988
292 HG11 VAL 18 1HG1 VAL 18 -6.500 9.801 -13.931
293 HG12 VAL 18 2HG1 VAL 18 -7.317 8.646 -15.011
294 HG13 VAL 18 3HG1 VAL 18 -6.144 8.072 -13.800
295 HG21 VAL 18 3HG2 VAL 18 -4.819 6.935 -15.449
296 HG22 VAL 18 1HG2 VAL 18 -5.851 7.420 -16.808
297 HG23 VAL 18 2HG2 VAL 18 -4.111 7.771 -16.834
298 H CYS 19 H CYS 19 -4.053 11.874 -15.548
299 HA CYS 19 HA CYS 19 -6.255 13.282 -14.220
300 HB2 CYS 19 1HB CYS 19 -3.260 13.599 -14.233
301 HB3 CYS 19 2HB CYS 19 -4.336 14.774 -13.450
302 H GLY 20 H GLY 20 -4.406 13.668 -17.204
303 HA2 GLY 20 1HA GLY 20 -4.501 15.364 -18.766
304 HA3 GLY 20 2HA GLY 20 -6.101 15.766 -18.103
305 H GLU 21 H GLU 21 -6.007 17.941 -17.989
306 HA GLU 21 HA GLU 21 -3.702 19.421 -17.183
307 HB2 GLU 21 1HB GLU 21 -5.117 21.340 -17.310
308 HB3 GLU 21 2HB GLU 21 -5.565 20.240 -18.618
309 HG2 GLU 21 1HG GLU 21 -7.506 19.452 -17.235
310 HG3 GLU 21 2HG GLU 21 -7.070 20.646 -16.003
311 HE2 GLU 21 HE2 GLU 21 -9.470 22.376 -17.731
312 H ARG 22 H ARG 22 -5.736 17.585 -15.142
313 HA ARG 22 HA ARG 22 -5.949 19.455 -12.943
314 HB2 ARG 22 1HB ARG 22 -6.067 16.428 -13.019
315 HB3 ARG 22 2HB ARG 22 -6.424 17.409 -11.595
316 HG2 ARG 22 1HG ARG 22 -8.266 18.507 -12.764
317 HG3 ARG 22 2HG ARG 22 -7.928 17.567 -14.231
318 HD2 ARG 22 1HD ARG 22 -8.570 16.312 -11.550
319 HD3 ARG 22 2HD ARG 22 -9.801 16.705 -12.766
320 HE ARG 22 HE ARG 22 -7.827 15.188 -14.073
321 HH11 ARG 22 1HH1 ARG 22 -10.165 14.670 -11.464
322 HH12 ARG 22 2HH1 ARG 22 -10.346 12.971 -11.842
323 HH21 ARG 22 1HH2 ARG 22 -8.164 12.971 -14.491
324 HH22 ARG 22 2HH2 ARG 22 -9.262 12.061 -13.475
325 H GLY 23 H GLY 23 -3.390 17.386 -14.086
326 HA2 GLY 23 1HA GLY 23 -1.185 17.310 -13.317
327 HA3 GLY 23 2HA GLY 23 -1.630 18.359 -11.956
328 H PHE 24 H PHE 24 0.041 16.246 -11.477
329 HA PHE 24 HA PHE 24 -1.522 14.582 -9.649
330 HB2 PHE 24 1HB PHE 24 -0.836 12.464 -10.626
331 HB3 PHE 24 2HB PHE 24 -1.765 13.379 -11.809
332 HD1 PHE 24 HD2 PHE 24 -0.718 14.303 -13.808
333 HD2 PHE 24 HD1 PHE 24 1.536 12.083 -10.911
334 HE1 PHE 24 HE2 PHE 24 1.143 14.083 -15.422
335 HE2 PHE 24 HE1 PHE 24 3.380 11.827 -12.513
336 HZ PHE 24 HZ PHE 24 3.199 12.841 -14.799
337 H PHE 25 H PHE 25 0.149 12.964 -8.625
338 HA PHE 25 HA PHE 25 2.828 14.292 -8.505
339 HB2 PHE 25 1HB PHE 25 2.878 13.762 -6.080
340 HB3 PHE 25 2HB PHE 25 1.634 14.943 -6.503
341 HD1 PHE 25 HD2 PHE 25 2.221 11.409 -5.495
342 HD2 PHE 25 HD1 PHE 25 -0.705 14.493 -6.181
343 HE1 PHE 25 HE2 PHE 25 0.484 9.996 -4.408
344 HE2 PHE 25 HE1 PHE 25 -2.449 13.093 -5.102
345 HZ PHE 25 HZ PHE 25 -1.850 10.836 -4.197
346 H TYR 26 H TYR 26 4.516 12.819 -7.687
347 HA TYR 26 HA TYR 26 3.963 9.927 -8.163
348 HB2 TYR 26 1HB TYR 26 4.687 10.788 -10.330
349 HB3 TYR 26 2HB TYR 26 6.053 11.629 -9.578
350 HD1 TYR 26 HD1 TYR 26 4.609 8.162 -9.945
351 HD2 TYR 26 HD2 TYR 26 8.150 10.567 -9.482
352 HE1 TYR 26 HE1 TYR 26 6.033 6.136 -10.167
353 HE2 TYR 26 HE2 TYR 26 9.559 8.530 -9.746
354 HH TYR 26 HH TYR 26 9.593 6.270 -10.031
355 H THR 27 H THR 27 5.370 8.610 -6.979
356 HA THR 27 HA THR 27 6.999 10.068 -4.954
357 HB THR 27 HB THR 27 6.738 7.998 -3.582
358 HG1 THR 27 HG1 THR 27 6.348 6.664 -5.513
359 HG21 THR 27 1HG2 THR 27 5.096 9.920 -3.432
360 HG22 THR 27 2HG2 THR 27 4.407 8.346 -2.989
361 HG23 THR 27 3HG2 THR 27 4.048 9.050 -4.579
362 HA PRO 28 HA PRO 28 10.122 7.907 -7.455
363 HB2 PRO 28 1HB PRO 28 12.237 9.569 -7.047
364 HB3 PRO 28 2HB PRO 28 10.904 9.999 -8.168
365 HG2 PRO 28 1HG PRO 28 11.297 10.814 -5.296
366 HG3 PRO 28 2HG PRO 28 10.962 11.846 -6.723
367 HD2 PRO 28 1HD PRO 28 8.996 11.034 -5.038
368 HD3 PRO 28 2HD PRO 28 8.718 11.203 -6.806
369 H LYS 29 H LYS 29 11.951 6.609 -6.903
370 HA LYS 29 HA LYS 29 12.240 6.152 -3.982
371 HB2 LYS 29 1HB LYS 29 13.551 4.137 -4.719
372 HB3 LYS 29 2HB LYS 29 11.848 4.128 -5.149
373 HG2 LYS 29 1HG LYS 29 12.236 4.297 -7.426
374 HG3 LYS 29 2HG LYS 29 13.775 5.132 -7.233
375 HD2 LYS 29 1HD LYS 29 13.315 2.181 -6.619
376 HD3 LYS 29 2HD LYS 29 14.015 2.806 -8.116
377 HE2 LYS 29 1HE LYS 29 15.219 3.038 -5.316
378 HE3 LYS 29 2HE LYS 29 15.792 2.000 -6.626
379 HZ1 LYS 29 3HZ LYS 29 15.859 4.969 -6.581
380 HZ2 LYS 29 1HZ LYS 29 16.308 4.048 -7.881
381 HZ3 LYS 29 2HZ LYS 29 17.155 3.953 -6.469
382 H THR 30 H THR 30 13.422 8.046 -3.478
383 HA THR 30 HA THR 30 15.910 8.656 -4.840
384 HB THR 30 HB THR 30 16.208 10.211 -2.808
385 HG1 THR 30 HG1 THR 30 14.289 10.395 -1.541
386 HG21 THR 30 1HG2 THR 30 15.113 10.962 -4.972
387 HG22 THR 30 2HG2 THR 30 14.373 11.732 -3.562
388 HG23 THR 30 3HG2 THR 30 13.545 10.388 -4.366
389 HXT THR 30 H02 THR 30 16.918 6.571 -1.722
Start of MODEL 43
1 H1 GLY 1 3H0 GLY 1 3.653 -0.602 -0.398
2 H2 GLY 1 2H0 GLY 1 2.330 -1.014 -1.294
3 H3 GLY 1 1H0 GLY 1 3.824 -0.986 -1.994
4 HA2 GLY 1 1HA GLY 1 2.387 1.365 -0.927
5 HA3 GLY 1 2HA GLY 1 3.987 1.400 -1.694
6 H ILE 2 H ILE 2 1.751 2.949 -2.688
7 HA ILE 2 HA ILE 2 0.219 1.476 -4.543
8 HB ILE 2 HB ILE 2 -0.347 3.710 -3.551
9 HG12 ILE 2 1HG1 ILE 2 -0.571 3.563 -6.572
10 HG13 ILE 2 2HG1 ILE 2 -1.539 2.611 -5.449
11 HG21 ILE 2 1HG2 ILE 2 1.829 4.866 -3.973
12 HG22 ILE 2 2HG2 ILE 2 1.479 4.861 -5.717
13 HG23 ILE 2 3HG2 ILE 2 0.452 5.781 -4.604
14 HD11 ILE 2 3HD1 ILE 2 -2.455 4.748 -4.478
15 HD12 ILE 2 1HD1 ILE 2 -1.565 5.653 -5.730
16 HD13 ILE 2 2HD1 ILE 2 -2.850 4.517 -6.196
17 H VAL 3 H VAL 3 3.375 3.039 -5.022
18 HA VAL 3 HA VAL 3 3.378 2.776 -7.877
19 HB VAL 3 HB VAL 3 5.742 2.738 -5.942
20 HG11 VAL 3 1HG1 VAL 3 5.594 3.315 -8.939
21 HG12 VAL 3 2HG1 VAL 3 7.032 3.579 -7.925
22 HG13 VAL 3 3HG1 VAL 3 6.399 1.936 -8.173
23 HG21 VAL 3 3HG2 VAL 3 4.335 5.054 -7.345
24 HG22 VAL 3 1HG2 VAL 3 4.397 4.750 -5.592
25 HG23 VAL 3 2HG2 VAL 3 5.879 5.187 -6.467
26 H GLU 4 H GLU 4 4.408 0.659 -5.219
27 HA GLU 4 HA GLU 4 5.526 -1.424 -6.811
28 HB2 GLU 4 1HB GLU 4 5.772 -1.064 -4.325
29 HB3 GLU 4 2HB GLU 4 4.109 -1.612 -4.135
30 HG2 GLU 4 1HG GLU 4 4.755 -3.808 -5.102
31 HG3 GLU 4 2HG GLU 4 6.435 -3.249 -5.143
32 HE2 GLU 4 HE2 GLU 4 6.271 -4.972 -2.136
33 H GLN 5 H GLN 5 2.219 -0.751 -5.625
34 HA GLN 5 HA GLN 5 1.058 -3.201 -6.532
35 HB2 GLN 5 1HB GLN 5 -0.095 -0.449 -5.998
36 HB3 GLN 5 2HB GLN 5 -1.092 -1.838 -6.440
37 HG2 GLN 5 1HG GLN 5 -0.685 -2.953 -4.432
38 HG3 GLN 5 2HG GLN 5 0.811 -2.067 -4.116
39 HE21 GLN 5 2HE2 GLN 5 -2.701 -1.452 -4.494
40 HE22 GLN 5 1HE2 GLN 5 -2.776 -0.269 -3.213
41 H CYS 6 H CYS 6 1.516 -0.020 -8.166
42 HA CYS 6 HA CYS 6 0.142 -1.001 -10.554
43 HB2 CYS 6 1HB CYS 6 1.874 1.460 -10.162
44 HB3 CYS 6 2HB CYS 6 0.836 1.119 -11.553
45 H CYS 7 H CYS 7 3.305 -1.368 -9.295
46 HA CYS 7 HA CYS 7 4.534 -1.762 -11.921
47 HB2 CYS 7 1HB CYS 7 5.415 -1.882 -9.080
48 HB3 CYS 7 2HB CYS 7 6.260 -2.943 -10.218
49 H THR 8 H THR 8 3.391 -3.787 -9.172
50 HA THR 8 HA THR 8 4.020 -6.234 -10.660
51 HB THR 8 HB THR 8 4.294 -5.994 -8.142
52 HG1 THR 8 HG1 THR 8 3.525 -8.136 -7.808
53 HG21 THR 8 1HG2 THR 8 1.306 -6.517 -8.047
54 HG22 THR 8 2HG2 THR 8 2.009 -4.905 -7.791
55 HG23 THR 8 3HG2 THR 8 2.417 -6.238 -6.693
56 H SER 9 H SER 9 1.226 -4.172 -10.256
57 HA SER 9 HA SER 9 -0.267 -6.119 -11.925
58 HB2 SER 9 1HB SER 9 -1.363 -4.708 -9.432
59 HB3 SER 9 2HB SER 9 -2.338 -5.652 -10.579
60 HG SER 9 HG SER 9 -0.159 -7.045 -9.765
61 H ILE 10 H ILE 10 -2.506 -4.830 -12.532
62 HA ILE 10 HA ILE 10 -1.272 -3.100 -14.445
63 HB ILE 10 HB ILE 10 -4.205 -3.771 -13.963
64 HG12 ILE 10 1HG1 ILE 10 -2.772 -5.725 -14.460
65 HG13 ILE 10 2HG1 ILE 10 -3.960 -5.410 -15.719
66 HG21 ILE 10 1HG2 ILE 10 -4.189 -1.739 -15.264
67 HG22 ILE 10 2HG2 ILE 10 -2.886 -2.340 -16.306
68 HG23 ILE 10 3HG2 ILE 10 -4.511 -3.073 -16.384
69 HD11 ILE 10 3HD1 ILE 10 -1.763 -6.071 -16.640
70 HD12 ILE 10 1HD1 ILE 10 -2.232 -4.446 -17.166
71 HD13 ILE 10 2HD1 ILE 10 -1.019 -4.643 -15.893
72 H CYS 11 H CYS 11 -3.566 -2.311 -11.821
73 HA CYS 11 HA CYS 11 -4.419 -0.335 -11.065
74 HB2 CYS 11 1HB CYS 11 -1.847 0.770 -12.202
75 HB3 CYS 11 2HB CYS 11 -3.081 1.801 -11.478
76 H SER 12 H SER 12 -6.305 -0.186 -12.135
77 HA SER 12 HA SER 12 -6.545 0.627 -14.898
78 HB2 SER 12 1HB SER 12 -8.945 0.892 -14.325
79 HB3 SER 12 2HB SER 12 -8.307 -0.656 -13.730
80 HG SER 12 HG SER 12 -9.472 0.295 -12.083
81 H LEU 13 H LEU 13 -7.757 2.721 -15.469
82 HA LEU 13 HA LEU 13 -6.221 4.925 -14.649
83 HB2 LEU 13 1HB LEU 13 -7.757 6.296 -15.856
84 HB3 LEU 13 2HB LEU 13 -7.502 4.801 -16.737
85 HG LEU 13 HG LEU 13 -9.807 4.235 -15.327
86 HD11 LEU 13 1HD1 LEU 13 -11.285 6.193 -15.665
87 HD12 LEU 13 2HD1 LEU 13 -9.885 7.163 -16.170
88 HD13 LEU 13 3HD1 LEU 13 -9.993 6.543 -14.506
89 HD21 LEU 13 3HD2 LEU 13 -10.944 4.564 -17.480
90 HD22 LEU 13 1HD2 LEU 13 -9.373 3.765 -17.697
91 HD23 LEU 13 2HD2 LEU 13 -9.552 5.497 -18.081
92 H TYR 14 H TYR 14 -9.245 3.683 -13.257
93 HA TYR 14 HA TYR 14 -9.814 5.940 -11.618
94 HB2 TYR 14 1HB TYR 14 -10.402 3.046 -10.961
95 HB3 TYR 14 2HB TYR 14 -11.322 4.477 -10.484
96 HD1 TYR 14 HD2 TYR 14 -12.439 5.856 -12.418
97 HD2 TYR 14 HD1 TYR 14 -10.933 1.854 -12.918
98 HE1 TYR 14 HE2 TYR 14 -13.825 5.586 -14.477
99 HE2 TYR 14 HE1 TYR 14 -12.304 1.604 -14.997
100 HH TYR 14 HH TYR 14 -14.446 4.195 -16.185
101 H GLN 15 H GLN 15 -7.779 3.069 -11.122
102 HA GLN 15 HA GLN 15 -7.193 3.602 -8.337
103 HB2 GLN 15 1HB GLN 15 -5.697 2.041 -10.476
104 HB3 GLN 15 2HB GLN 15 -5.254 2.055 -8.770
105 HG2 GLN 15 1HG GLN 15 -8.021 1.202 -9.690
106 HG3 GLN 15 2HG GLN 15 -6.655 0.076 -9.658
107 HE21 GLN 15 2HE2 GLN 15 -9.225 1.219 -7.886
108 HE22 GLN 15 1HE2 GLN 15 -8.667 0.764 -6.295
109 H LEU 16 H LEU 16 -5.752 4.444 -11.467
110 HA LEU 16 HA LEU 16 -3.418 5.702 -10.396
111 HB2 LEU 16 1HB LEU 16 -4.831 5.960 -13.051
112 HB3 LEU 16 2HB LEU 16 -3.307 6.760 -12.684
113 HG LEU 16 HG LEU 16 -3.705 3.753 -12.522
114 HD11 LEU 16 1HD1 LEU 16 -2.557 3.614 -14.653
115 HD12 LEU 16 2HD1 LEU 16 -2.475 5.392 -14.754
116 HD13 LEU 16 3HD1 LEU 16 -4.045 4.555 -14.814
117 HD21 LEU 16 3HD2 LEU 16 -1.205 5.495 -12.533
118 HD22 LEU 16 1HD2 LEU 16 -1.213 3.718 -12.631
119 HD23 LEU 16 2HD2 LEU 16 -1.819 4.524 -11.178
120 H GLU 17 H GLU 17 -6.707 6.955 -10.976
121 HA GLU 17 HA GLU 17 -6.122 9.720 -10.846
122 HB2 GLU 17 1HB GLU 17 -8.499 8.113 -9.876
123 HB3 GLU 17 2HB GLU 17 -8.437 9.872 -9.756
124 HG2 GLU 17 1HG GLU 17 -8.260 10.091 -12.157
125 HG3 GLU 17 2HG GLU 17 -8.140 8.346 -12.347
126 HE2 GLU 17 HE2 GLU 17 -10.121 10.573 -10.776
127 H ASN 18 H ASN 18 -6.135 7.330 -8.232
128 HA ASN 18 HA ASN 18 -6.342 9.124 -6.043
129 HB2 ASN 18 1HB ASN 18 -4.901 6.468 -6.310
130 HB3 ASN 18 2HB ASN 18 -5.055 7.345 -4.783
131 HD21 ASN 18 2HD2 ASN 18 -6.570 5.250 -7.006
132 HD22 ASN 18 1HD2 ASN 18 -8.114 5.146 -6.182
133 H TYR 19 H TYR 19 -3.611 8.506 -8.188
134 HA TYR 19 HA TYR 19 -1.513 9.478 -6.457
135 HB2 TYR 19 1HB TYR 19 -1.882 9.296 -9.442
136 HB3 TYR 19 2HB TYR 19 -0.445 10.029 -8.769
137 HD1 TYR 19 HD2 TYR 19 -2.342 6.801 -8.942
138 HD2 TYR 19 HD1 TYR 19 1.375 8.730 -7.967
139 HE1 TYR 19 HE2 TYR 19 -1.226 4.582 -8.827
140 HE2 TYR 19 HE1 TYR 19 2.485 6.503 -7.853
141 HH TYR 19 HH TYR 19 0.745 3.457 -8.465
142 H CYS 20 H CYS 20 -4.057 11.057 -8.294
143 HA CYS 20 HA CYS 20 -2.949 13.700 -7.457
144 HB2 CYS 20 1HB CYS 20 -3.958 14.636 -9.505
145 HB3 CYS 20 2HB CYS 20 -2.641 13.524 -9.843
146 H ASN 21 H ASN 21 -4.643 11.921 -6.042
147 HA ASN 21 HA ASN 21 -6.568 11.747 -4.887
148 HB2 ASN 21 1HB ASN 21 -6.250 13.982 -4.090
149 HB3 ASN 21 2HB ASN 21 -6.827 14.684 -5.594
150 HD21 ASN 21 2HD2 ASN 21 -7.763 12.945 -2.672
151 HD22 ASN 21 1HD2 ASN 21 -9.459 13.325 -2.794
152 HXT ASN 21 H02 ASN 21 -7.328 13.422 -7.663
153 H1 PHE 1 3H0 PHE 1 -8.805 2.847 -21.897
154 H2 PHE 1 2H0 PHE 1 -8.392 4.443 -21.946
155 H3 PHE 1 1H0 PHE 1 -7.943 3.435 -23.171
156 HA PHE 1 HA PHE 1 -6.051 3.888 -21.783
157 HB2 PHE 1 1HB PHE 1 -7.569 4.294 -19.773
158 HB3 PHE 1 2HB PHE 1 -7.667 2.539 -19.588
159 HD1 PHE 1 HD2 PHE 1 -5.385 5.481 -19.481
160 HD2 PHE 1 HD1 PHE 1 -5.842 1.282 -18.618
161 HE1 PHE 1 HE2 PHE 1 -3.264 5.520 -18.187
162 HE2 PHE 1 HE1 PHE 1 -3.732 1.328 -17.294
163 HZ PHE 1 HZ PHE 1 -2.437 3.443 -17.092
164 H VAL 2 H VAL 2 -4.409 2.251 -21.681
165 HA VAL 2 HA VAL 2 -5.408 -0.434 -22.557
166 HB VAL 2 HB VAL 2 -2.684 0.891 -23.029
167 HG11 VAL 2 1HG1 VAL 2 -3.835 -1.753 -24.046
168 HG12 VAL 2 2HG1 VAL 2 -2.309 -1.025 -24.595
169 HG13 VAL 2 3HG1 VAL 2 -2.475 -1.558 -22.912
170 HG21 VAL 2 3HG2 VAL 2 -3.413 0.962 -25.427
171 HG22 VAL 2 1HG2 VAL 2 -5.033 0.424 -24.926
172 HG23 VAL 2 2HG2 VAL 2 -4.400 1.997 -24.380
173 H ASN 3 H ASN 3 -4.993 -2.158 -21.269
174 HA ASN 3 HA ASN 3 -3.800 -1.745 -18.679
175 HB2 ASN 3 1HB ASN 3 -3.756 -4.318 -18.669
176 HB3 ASN 3 2HB ASN 3 -5.348 -3.520 -18.713
177 HD21 ASN 3 2HD2 ASN 3 -3.607 -6.005 -19.988
178 HD22 ASN 3 1HD2 ASN 3 -4.461 -6.204 -21.495
179 H GLN 4 H GLN 4 -1.784 -1.698 -18.112
180 HA GLN 4 HA GLN 4 0.101 -3.660 -19.124
181 HB2 GLN 4 1HB GLN 4 1.794 -1.986 -19.822
182 HB3 GLN 4 2HB GLN 4 0.369 -1.914 -20.863
183 HG2 GLN 4 1HG GLN 4 -0.447 0.035 -19.461
184 HG3 GLN 4 2HG GLN 4 1.128 0.019 -18.657
185 HE21 GLN 4 2HE2 GLN 4 -0.542 0.459 -21.724
186 HE22 GLN 4 1HE2 GLN 4 0.710 1.423 -22.472
187 H HIS 5 H HIS 5 1.737 -3.854 -17.525
188 HA HIS 5 HA HIS 5 1.215 -2.594 -14.942
189 HB2 HIS 5 1HB HIS 5 3.641 -4.126 -15.964
190 HB3 HIS 5 2HB HIS 5 3.365 -3.633 -14.291
191 HD1 HIS 5 HD1 HIS 5 0.592 -4.451 -13.654
192 HD2 HIS 5 HD2 HIS 5 3.030 -6.784 -16.030
193 HE1 HIS 5 HE1 HIS 5 -0.357 -6.842 -13.620
194 HE2 HIS 5 HE2 HIS 5 1.175 -8.231 -15.046
195 H LEU 6 H LEU 6 2.464 -0.947 -13.940
196 HA LEU 6 HA LEU 6 3.886 0.796 -15.928
197 HB2 LEU 6 1HB LEU 6 1.848 1.480 -13.798
198 HB3 LEU 6 2HB LEU 6 2.756 2.670 -14.714
199 HG LEU 6 HG LEU 6 0.915 0.671 -16.033
200 HD11 LEU 6 1HD1 LEU 6 -0.372 1.952 -14.424
201 HD12 LEU 6 2HD1 LEU 6 -0.756 2.468 -16.073
202 HD13 LEU 6 3HD1 LEU 6 0.304 3.475 -15.057
203 HD21 LEU 6 3HD2 LEU 6 2.101 3.322 -16.933
204 HD22 LEU 6 1HD2 LEU 6 0.906 2.379 -17.845
205 HD23 LEU 6 2HD2 LEU 6 2.518 1.704 -17.552
206 H CYS 7 H CYS 7 5.945 1.011 -15.336
207 HA CYS 7 HA CYS 7 6.492 1.783 -12.499
208 HB2 CYS 7 1HB CYS 7 8.245 0.098 -14.328
209 HB3 CYS 7 2HB CYS 7 8.695 0.674 -12.722
210 H GLY 8 H GLY 8 8.310 3.250 -12.268
211 HA2 GLY 8 1HA GLY 8 9.611 5.044 -12.900
212 HA3 GLY 8 2HA GLY 8 9.971 4.086 -14.341
213 H SER 9 H SER 9 9.974 5.523 -15.943
214 HA SER 9 HA SER 9 8.369 7.813 -16.121
215 HB2 SER 9 1HB SER 9 9.177 6.476 -18.649
216 HB3 SER 9 2HB SER 9 9.476 8.138 -18.082
217 HG SER 9 HG SER 9 11.423 7.105 -17.963
218 H HIS 10 H HIS 10 7.586 4.475 -17.090
219 HA HIS 10 HA HIS 10 5.405 5.180 -18.836
220 HB2 HIS 10 1HB HIS 10 6.320 2.725 -17.417
221 HB3 HIS 10 2HB HIS 10 4.599 2.798 -17.794
222 HD1 HIS 10 HD1 HIS 10 3.910 2.040 -20.103
223 HD2 HIS 10 HD2 HIS 10 7.973 3.108 -19.882
224 HE1 HIS 10 HE1 HIS 10 4.946 1.502 -22.355
225 HE2 HIS 10 HE2 HIS 10 7.392 2.146 -22.214
226 H LEU 11 H LEU 11 5.664 4.757 -15.310
227 HA LEU 11 HA LEU 11 2.834 4.768 -14.851
228 HB2 LEU 11 1HB LEU 11 4.514 3.921 -13.252
229 HB3 LEU 11 2HB LEU 11 5.129 5.551 -13.029
230 HG LEU 11 HG LEU 11 3.063 6.244 -11.942
231 HD11 LEU 11 1HD1 LEU 11 2.137 3.371 -12.333
232 HD12 LEU 11 2HD1 LEU 11 1.414 4.822 -13.073
233 HD13 LEU 11 3HD1 LEU 11 1.336 4.591 -11.319
234 HD21 LEU 11 3HD2 LEU 11 4.150 3.616 -10.854
235 HD22 LEU 11 1HD2 LEU 11 3.330 4.892 -9.919
236 HD23 LEU 11 2HD2 LEU 11 4.911 5.219 -10.661
237 H VAL 12 H VAL 12 5.285 7.425 -14.770
238 HA VAL 12 HA VAL 12 3.227 9.318 -14.025
239 HB VAL 12 HB VAL 12 4.907 11.077 -14.405
240 HG11 VAL 12 1HG1 VAL 12 6.463 10.394 -12.652
241 HG12 VAL 12 2HG1 VAL 12 4.839 9.792 -12.268
242 HG13 VAL 12 3HG1 VAL 12 6.067 8.680 -12.915
243 HG21 VAL 12 3HG2 VAL 12 7.203 10.522 -15.061
244 HG22 VAL 12 1HG2 VAL 12 6.728 8.838 -15.345
245 HG23 VAL 12 2HG2 VAL 12 6.068 10.135 -16.367
246 H GLU 13 H GLU 13 4.469 8.161 -17.143
247 HA GLU 13 HA GLU 13 3.157 10.253 -18.659
248 HB2 GLU 13 1HB GLU 13 4.148 7.491 -19.384
249 HB3 GLU 13 2HB GLU 13 3.322 8.544 -20.540
250 HG2 GLU 13 1HG GLU 13 5.892 9.210 -19.065
251 HG3 GLU 13 2HG GLU 13 5.756 8.749 -20.767
252 HE2 GLU 13 HE2 GLU 13 5.494 12.426 -19.802
253 H ALA 14 H ALA 14 2.129 7.124 -17.326
254 HA ALA 14 HA ALA 14 -0.423 7.122 -18.661
255 HB1 ALA 14 3HB ALA 14 0.379 5.933 -15.974
256 HB2 ALA 14 1HB ALA 14 -1.079 5.532 -16.903
257 HB3 ALA 14 2HB ALA 14 0.525 5.123 -17.551
258 H LEU 15 H LEU 15 0.807 8.497 -15.586
259 HA LEU 15 HA LEU 15 -1.722 9.422 -14.657
260 HB2 LEU 15 1HB LEU 15 1.107 10.342 -14.114
261 HB3 LEU 15 2HB LEU 15 -0.294 11.062 -13.335
262 HG LEU 15 HG LEU 15 0.425 8.131 -13.109
263 HD11 LEU 15 1HD1 LEU 15 2.126 9.598 -12.054
264 HD12 LEU 15 2HD1 LEU 15 1.223 8.621 -10.882
265 HD13 LEU 15 3HD1 LEU 15 0.838 10.346 -11.084
266 HD21 LEU 15 3HD2 LEU 15 -1.563 9.864 -11.648
267 HD22 LEU 15 1HD2 LEU 15 -1.189 8.164 -11.280
268 HD23 LEU 15 2HD2 LEU 15 -1.945 8.581 -12.817
269 H TYR 16 H TYR 16 0.614 10.925 -16.892
270 HA TYR 16 HA TYR 16 -0.591 13.516 -16.970
271 HB2 TYR 16 1HB TYR 16 0.969 11.862 -18.958
272 HB3 TYR 16 2HB TYR 16 0.143 13.317 -19.508
273 HD1 TYR 16 HD1 TYR 16 0.655 15.547 -18.298
274 HD2 TYR 16 HD2 TYR 16 3.133 12.051 -17.941
275 HE1 TYR 16 HE1 TYR 16 2.564 16.962 -17.527
276 HE2 TYR 16 HE2 TYR 16 5.030 13.470 -17.176
277 HH TYR 16 HH TYR 16 4.737 17.002 -16.811
278 H LEU 17 H LEU 17 -1.344 10.498 -18.744
279 HA LEU 17 HA LEU 17 -3.469 11.722 -20.268
280 HB2 LEU 17 1HB LEU 17 -2.949 8.815 -19.586
281 HB3 LEU 17 2HB LEU 17 -4.104 9.396 -20.777
282 HG LEU 17 HG LEU 17 -1.103 9.832 -20.955
283 HD11 LEU 17 1HD1 LEU 17 -1.132 8.036 -22.636
284 HD12 LEU 17 2HD1 LEU 17 -2.866 7.768 -22.333
285 HD13 LEU 17 3HD1 LEU 17 -1.669 7.441 -21.054
286 HD21 LEU 17 3HD2 LEU 17 -1.596 10.347 -23.337
287 HD22 LEU 17 1HD2 LEU 17 -2.366 11.497 -22.231
288 HD23 LEU 17 2HD2 LEU 17 -3.337 10.216 -22.993
289 H VAL 18 H VAL 18 -3.404 9.790 -17.267
290 HA VAL 18 HA VAL 18 -6.270 9.483 -17.168
291 HB VAL 18 HB VAL 18 -4.103 9.174 -15.040
292 HG11 VAL 18 1HG1 VAL 18 -5.827 7.900 -13.749
293 HG12 VAL 18 2HG1 VAL 18 -6.178 9.628 -13.863
294 HG13 VAL 18 3HG1 VAL 18 -7.065 8.475 -14.889
295 HG21 VAL 18 3HG2 VAL 18 -4.025 7.588 -16.931
296 HG22 VAL 18 1HG2 VAL 18 -4.462 6.783 -15.420
297 HG23 VAL 18 2HG2 VAL 18 -5.711 7.143 -16.632
298 H CYS 19 H CYS 19 -4.013 11.690 -15.436
299 HA CYS 19 HA CYS 19 -6.354 12.946 -14.165
300 HB2 CYS 19 1HB CYS 19 -3.776 12.628 -13.337
301 HB3 CYS 19 2HB CYS 19 -3.747 14.306 -13.916
302 H GLY 20 H GLY 20 -4.585 13.270 -17.099
303 HA2 GLY 20 1HA GLY 20 -5.037 14.638 -18.870
304 HA3 GLY 20 2HA GLY 20 -6.463 15.202 -18.002
305 H GLU 21 H GLU 21 -6.326 17.259 -18.672
306 HA GLU 21 HA GLU 21 -3.961 18.836 -18.728
307 HB2 GLU 21 1HB GLU 21 -6.844 19.776 -18.468
308 HB3 GLU 21 2HB GLU 21 -5.473 20.724 -19.042
309 HG2 GLU 21 1HG GLU 21 -6.347 20.164 -21.067
310 HG3 GLU 21 2HG GLU 21 -5.312 18.745 -20.847
311 HE2 GLU 21 HE2 GLU 21 -7.497 19.000 -22.350
312 H ARG 22 H ARG 22 -5.899 17.936 -16.015
313 HA ARG 22 HA ARG 22 -5.473 20.264 -14.372
314 HB2 ARG 22 1HB ARG 22 -6.155 17.352 -13.853
315 HB3 ARG 22 2HB ARG 22 -5.872 18.478 -12.532
316 HG2 ARG 22 1HG ARG 22 -8.222 18.336 -12.847
317 HG3 ARG 22 2HG ARG 22 -7.698 19.927 -13.391
318 HD2 ARG 22 1HD ARG 22 -9.434 18.962 -14.848
319 HD3 ARG 22 2HD ARG 22 -7.928 19.272 -15.720
320 HE ARG 22 HE ARG 22 -7.773 16.603 -14.881
321 HH11 ARG 22 1HH1 ARG 22 -9.921 18.474 -16.981
322 HH12 ARG 22 2HH1 ARG 22 -10.273 17.099 -17.991
323 HH21 ARG 22 1HH2 ARG 22 -8.284 14.911 -16.192
324 HH22 ARG 22 2HH2 ARG 22 -9.385 15.107 -17.534
325 H GLY 23 H GLY 23 -3.470 17.577 -15.344
326 HA2 GLY 23 1HA GLY 23 -1.206 17.256 -14.882
327 HA3 GLY 23 2HA GLY 23 -1.247 18.635 -13.757
328 H PHE 24 H PHE 24 0.123 16.820 -12.619
329 HA PHE 24 HA PHE 24 -1.557 15.675 -10.526
330 HB2 PHE 24 1HB PHE 24 -0.822 13.376 -10.835
331 HB3 PHE 24 2HB PHE 24 -1.662 13.904 -12.297
332 HD1 PHE 24 HD1 PHE 24 -0.339 14.482 -14.341
333 HD2 PHE 24 HD2 PHE 24 1.452 12.720 -10.865
334 HE1 PHE 24 HE1 PHE 24 1.649 13.869 -15.669
335 HE2 PHE 24 HE2 PHE 24 3.435 12.077 -12.195
336 HZ PHE 24 HZ PHE 24 3.549 12.674 -14.622
337 H PHE 25 H PHE 25 0.124 14.460 -8.994
338 HA PHE 25 HA PHE 25 2.784 15.780 -9.256
339 HB2 PHE 25 1HB PHE 25 2.878 16.104 -6.856
340 HB3 PHE 25 2HB PHE 25 1.458 16.937 -7.498
341 HD1 PHE 25 HD1 PHE 25 2.658 14.124 -5.430
342 HD2 PHE 25 HD2 PHE 25 -0.814 16.161 -6.955
343 HE1 PHE 25 HE1 PHE 25 1.237 12.913 -3.788
344 HE2 PHE 25 HE2 PHE 25 -2.246 14.951 -5.312
345 HZ PHE 25 HZ PHE 25 -1.218 13.322 -3.725
346 H TYR 26 H TYR 26 4.484 14.535 -8.166
347 HA TYR 26 HA TYR 26 3.823 11.734 -7.524
348 HB2 TYR 26 1HB TYR 26 4.208 11.885 -10.033
349 HB3 TYR 26 2HB TYR 26 5.846 12.449 -9.688
350 HD1 TYR 26 HD2 TYR 26 3.481 9.578 -9.252
351 HD2 TYR 26 HD1 TYR 26 7.585 10.865 -9.157
352 HE1 TYR 26 HE2 TYR 26 4.228 7.206 -9.077
353 HE2 TYR 26 HE1 TYR 26 8.324 8.486 -8.978
354 HH TYR 26 HH TYR 26 6.002 5.778 -8.904
355 H THR 27 H THR 27 5.435 10.884 -6.156
356 HA THR 27 HA THR 27 7.499 12.865 -5.291
357 HB THR 27 HB THR 27 6.103 12.840 -3.453
358 HG1 THR 27 HG1 THR 27 7.825 10.597 -3.099
359 HG21 THR 27 1HG2 THR 27 5.555 9.934 -4.109
360 HG22 THR 27 2HG2 THR 27 4.419 11.307 -4.142
361 HG23 THR 27 3HG2 THR 27 5.039 10.706 -2.593
362 HA PRO 28 HA PRO 28 9.677 9.089 -6.678
363 HB2 PRO 28 1HB PRO 28 11.742 10.295 -7.971
364 HB3 PRO 28 2HB PRO 28 10.119 10.168 -8.722
365 HG2 PRO 28 1HG PRO 28 11.353 12.486 -7.251
366 HG3 PRO 28 2HG PRO 28 10.511 12.473 -8.833
367 HD2 PRO 28 1HD PRO 28 9.274 13.168 -6.487
368 HD3 PRO 28 2HD PRO 28 8.399 12.362 -7.831
369 H LYS 29 H LYS 29 11.759 8.227 -5.966
370 HA LYS 29 HA LYS 29 13.101 9.908 -3.894
371 HB2 LYS 29 1HB LYS 29 13.656 7.859 -2.661
372 HB3 LYS 29 2HB LYS 29 11.918 8.150 -2.736
373 HG2 LYS 29 1HG LYS 29 11.679 6.406 -4.472
374 HG3 LYS 29 2HG LYS 29 13.427 6.131 -4.424
375 HD2 LYS 29 1HD LYS 29 13.201 5.612 -1.963
376 HD3 LYS 29 2HD LYS 29 11.440 5.642 -2.195
377 HE2 LYS 29 1HE LYS 29 12.199 3.343 -2.350
378 HE3 LYS 29 2HE LYS 29 11.705 3.877 -3.972
379 HZ1 LYS 29 3HZ LYS 29 14.504 3.750 -2.973
380 HZ2 LYS 29 1HZ LYS 29 14.063 4.276 -4.471
381 HZ3 LYS 29 2HZ LYS 29 13.822 2.700 -4.045
382 H THR 30 H THR 30 14.897 10.615 -4.741
383 HA THR 30 HA THR 30 16.226 9.128 -6.910
384 HB THR 30 HB THR 30 17.764 11.174 -6.883
385 HG1 THR 30 HG1 THR 30 16.871 12.927 -5.589
386 HG21 THR 30 1HG2 THR 30 14.750 11.827 -7.059
387 HG22 THR 30 2HG2 THR 30 15.684 11.063 -8.362
388 HG23 THR 30 3HG2 THR 30 16.071 12.707 -7.841
389 HXT THR 30 H02 THR 30 17.357 10.576 -4.160
Start of MODEL 44
1 H1 GLY 1 3H0 GLY 1 2.918 1.590 0.477
2 H2 GLY 1 2H0 GLY 1 3.916 0.505 -0.260
3 H3 GLY 1 1H0 GLY 1 4.520 1.546 0.870
4 HA2 GLY 1 1HA GLY 1 4.058 3.433 -0.537
5 HA3 GLY 1 2HA GLY 1 5.151 2.272 -1.317
6 H ILE 2 H ILE 2 3.186 4.287 -2.481
7 HA ILE 2 HA ILE 2 1.021 2.621 -3.450
8 HB ILE 2 HB ILE 2 0.915 5.091 -2.799
9 HG12 ILE 2 1HG1 ILE 2 -0.222 4.269 -5.468
10 HG13 ILE 2 2HG1 ILE 2 -0.870 3.789 -3.909
11 HG21 ILE 2 1HG2 ILE 2 1.466 6.793 -4.452
12 HG22 ILE 2 2HG2 ILE 2 2.922 5.828 -4.165
13 HG23 ILE 2 3HG2 ILE 2 1.955 5.569 -5.639
14 HD11 ILE 2 3HD1 ILE 2 -2.220 5.605 -4.784
15 HD12 ILE 2 1HD1 ILE 2 -1.302 6.222 -3.392
16 HD13 ILE 2 2HD1 ILE 2 -0.790 6.619 -5.052
17 H VAL 3 H VAL 3 4.134 3.589 -4.789
18 HA VAL 3 HA VAL 3 3.504 3.431 -7.528
19 HB VAL 3 HB VAL 3 6.142 2.722 -6.135
20 HG11 VAL 3 1HG1 VAL 3 5.575 3.469 -9.040
21 HG12 VAL 3 2HG1 VAL 3 7.194 3.367 -8.325
22 HG13 VAL 3 3HG1 VAL 3 6.186 1.911 -8.450
23 HG21 VAL 3 3HG2 VAL 3 5.459 4.972 -5.525
24 HG22 VAL 3 1HG2 VAL 3 6.752 5.096 -6.723
25 HG23 VAL 3 2HG2 VAL 3 5.067 5.362 -7.213
26 H GLU 4 H GLU 4 4.556 0.862 -5.305
27 HA GLU 4 HA GLU 4 4.979 -1.113 -7.285
28 HB2 GLU 4 1HB GLU 4 4.649 -2.750 -5.368
29 HB3 GLU 4 2HB GLU 4 5.962 -1.582 -5.238
30 HG2 GLU 4 1HG GLU 4 3.373 -0.809 -3.978
31 HG3 GLU 4 2HG GLU 4 4.273 -2.133 -3.234
32 HE2 GLU 4 HE2 GLU 4 6.579 -0.208 -1.854
33 H GLN 5 H GLN 5 1.987 -0.007 -5.793
34 HA GLN 5 HA GLN 5 0.421 -2.327 -6.400
35 HB2 GLN 5 1HB GLN 5 -0.365 0.593 -6.116
36 HB3 GLN 5 2HB GLN 5 -1.499 -0.758 -6.168
37 HG2 GLN 5 1HG GLN 5 -0.545 -1.683 -4.110
38 HG3 GLN 5 2HG GLN 5 0.674 -0.400 -4.069
39 HE21 GLN 5 2HE2 GLN 5 -2.854 -0.928 -4.038
40 HE22 GLN 5 1HE2 GLN 5 -3.198 0.451 -3.022
41 H CYS 6 H CYS 6 1.576 0.347 -8.392
42 HA CYS 6 HA CYS 6 -0.229 -0.541 -10.616
43 HB2 CYS 6 1HB CYS 6 1.424 1.889 -10.056
44 HB3 CYS 6 2HB CYS 6 1.235 1.396 -11.738
45 H CYS 7 H CYS 7 2.877 -1.109 -9.366
46 HA CYS 7 HA CYS 7 4.096 -1.585 -11.997
47 HB2 CYS 7 1HB CYS 7 5.418 -0.477 -10.297
48 HB3 CYS 7 2HB CYS 7 5.146 -1.805 -9.168
49 H THR 8 H THR 8 3.359 -3.506 -9.017
50 HA THR 8 HA THR 8 4.434 -5.904 -10.212
51 HB THR 8 HB THR 8 4.316 -5.389 -7.714
52 HG1 THR 8 HG1 THR 8 3.365 -7.848 -8.785
53 HG21 THR 8 1HG2 THR 8 2.338 -5.973 -6.490
54 HG22 THR 8 2HG2 THR 8 1.502 -6.515 -7.956
55 HG23 THR 8 3HG2 THR 8 1.847 -4.786 -7.717
56 H SER 9 H SER 9 1.354 -4.357 -10.421
57 HA SER 9 HA SER 9 0.405 -6.607 -12.060
58 HB2 SER 9 1HB SER 9 -1.794 -6.656 -10.798
59 HB3 SER 9 2HB SER 9 -0.428 -7.183 -9.794
60 HG SER 9 HG SER 9 -1.844 -4.735 -9.712
61 H ILE 10 H ILE 10 -2.098 -5.792 -12.676
62 HA ILE 10 HA ILE 10 -1.463 -3.296 -14.120
63 HB ILE 10 HB ILE 10 -3.958 -5.065 -14.252
64 HG12 ILE 10 1HG1 ILE 10 -1.933 -6.325 -14.915
65 HG13 ILE 10 2HG1 ILE 10 -3.093 -6.115 -16.219
66 HG21 ILE 10 1HG2 ILE 10 -2.965 -2.839 -16.096
67 HG22 ILE 10 2HG2 ILE 10 -4.327 -3.931 -16.466
68 HG23 ILE 10 3HG2 ILE 10 -4.431 -2.823 -15.089
69 HD11 ILE 10 3HD1 ILE 10 -0.624 -4.381 -15.911
70 HD12 ILE 10 1HD1 ILE 10 -0.699 -5.851 -16.905
71 HD13 ILE 10 2HD1 ILE 10 -1.728 -4.462 -17.299
72 H CYS 11 H CYS 11 -2.339 -1.331 -13.603
73 HA CYS 11 HA CYS 11 -4.579 -1.320 -11.624
74 HB2 CYS 11 1HB CYS 11 -3.768 0.881 -10.889
75 HB3 CYS 11 2HB CYS 11 -2.558 -0.377 -10.614
76 H SER 12 H SER 12 -6.289 0.087 -12.150
77 HA SER 12 HA SER 12 -6.446 0.667 -15.050
78 HB2 SER 12 1HB SER 12 -8.843 0.843 -14.657
79 HB3 SER 12 2HB SER 12 -8.243 -0.647 -13.897
80 HG SER 12 HG SER 12 -9.423 0.281 -12.328
81 H LEU 13 H LEU 13 -7.755 2.721 -15.580
82 HA LEU 13 HA LEU 13 -6.336 4.994 -14.653
83 HB2 LEU 13 1HB LEU 13 -7.854 6.290 -15.954
84 HB3 LEU 13 2HB LEU 13 -7.490 4.810 -16.824
85 HG LEU 13 HG LEU 13 -9.820 4.082 -15.605
86 HD11 LEU 13 1HD1 LEU 13 -10.048 7.067 -16.206
87 HD12 LEU 13 2HD1 LEU 13 -10.184 6.306 -14.603
88 HD13 LEU 13 3HD1 LEU 13 -11.403 5.975 -15.846
89 HD21 LEU 13 3HD2 LEU 13 -9.520 5.591 -18.228
90 HD22 LEU 13 1HD2 LEU 13 -10.885 4.542 -17.775
91 HD23 LEU 13 2HD2 LEU 13 -9.266 3.844 -17.982
92 H TYR 14 H TYR 14 -9.234 3.418 -13.410
93 HA TYR 14 HA TYR 14 -10.186 5.641 -11.874
94 HB2 TYR 14 1HB TYR 14 -10.510 2.695 -11.233
95 HB3 TYR 14 2HB TYR 14 -11.584 4.023 -10.773
96 HD1 TYR 14 HD1 TYR 14 -12.593 5.396 -12.862
97 HD2 TYR 14 HD2 TYR 14 -11.071 1.379 -13.076
98 HE1 TYR 14 HE1 TYR 14 -13.886 5.009 -14.964
99 HE2 TYR 14 HE2 TYR 14 -12.360 1.005 -15.182
100 HH TYR 14 HH TYR 14 -13.844 1.891 -16.689
101 H GLN 15 H GLN 15 -7.957 2.938 -11.207
102 HA GLN 15 HA GLN 15 -7.551 3.642 -8.440
103 HB2 GLN 15 1HB GLN 15 -5.636 2.153 -10.274
104 HB3 GLN 15 2HB GLN 15 -5.680 2.109 -8.510
105 HG2 GLN 15 1HG GLN 15 -7.661 0.924 -10.462
106 HG3 GLN 15 2HG GLN 15 -6.641 0.073 -9.305
107 HE21 GLN 15 2HE2 GLN 15 -7.077 0.787 -6.925
108 HE22 GLN 15 1HE2 GLN 15 -8.767 0.938 -6.508
109 H LEU 16 H LEU 16 -5.965 4.385 -11.515
110 HA LEU 16 HA LEU 16 -3.703 5.716 -10.471
111 HB2 LEU 16 1HB LEU 16 -5.132 5.772 -13.094
112 HB3 LEU 16 2HB LEU 16 -3.829 6.922 -12.789
113 HG LEU 16 HG LEU 16 -3.476 3.939 -12.395
114 HD11 LEU 16 1HD1 LEU 16 -2.435 3.841 -14.590
115 HD12 LEU 16 2HD1 LEU 16 -2.825 5.553 -14.879
116 HD13 LEU 16 3HD1 LEU 16 -4.128 4.347 -14.730
117 HD21 LEU 16 3HD2 LEU 16 -1.521 6.238 -12.824
118 HD22 LEU 16 1HD2 LEU 16 -1.083 4.521 -12.681
119 HD23 LEU 16 2HD2 LEU 16 -1.801 5.364 -11.301
120 H GLU 17 H GLU 17 -6.985 7.042 -11.034
121 HA GLU 17 HA GLU 17 -6.241 9.781 -10.831
122 HB2 GLU 17 1HB GLU 17 -8.766 8.296 -10.068
123 HB3 GLU 17 2HB GLU 17 -8.574 10.026 -9.758
124 HG2 GLU 17 1HG GLU 17 -7.959 10.231 -12.243
125 HG3 GLU 17 2HG GLU 17 -8.666 8.616 -12.415
126 HE2 GLU 17 HE2 GLU 17 -10.644 8.597 -11.021
127 H ASN 18 H ASN 18 -6.452 7.339 -8.288
128 HA ASN 18 HA ASN 18 -6.564 9.158 -6.069
129 HB2 ASN 18 1HB ASN 18 -5.454 6.336 -6.257
130 HB3 ASN 18 2HB ASN 18 -5.686 7.232 -4.750
131 HD21 ASN 18 2HD2 ASN 18 -7.135 5.281 -7.134
132 HD22 ASN 18 1HD2 ASN 18 -8.769 5.340 -6.507
133 H TYR 19 H TYR 19 -3.965 8.197 -8.189
134 HA TYR 19 HA TYR 19 -1.784 8.699 -6.339
135 HB2 TYR 19 1HB TYR 19 -1.958 8.470 -9.343
136 HB3 TYR 19 2HB TYR 19 -0.450 8.775 -8.504
137 HD1 TYR 19 HD2 TYR 19 -3.312 6.299 -8.290
138 HD2 TYR 19 HD1 TYR 19 0.934 6.967 -8.163
139 HE1 TYR 19 HE2 TYR 19 -2.942 3.879 -7.989
140 HE2 TYR 19 HE1 TYR 19 1.294 4.528 -7.877
141 HH TYR 19 HH TYR 19 0.262 2.507 -7.357
142 H CYS 20 H CYS 20 -3.926 10.800 -8.062
143 HA CYS 20 HA CYS 20 -1.939 12.993 -7.903
144 HB2 CYS 20 1HB CYS 20 -2.748 13.802 -10.038
145 HB3 CYS 20 2HB CYS 20 -2.028 12.210 -10.191
146 H ASN 21 H ASN 21 -2.983 15.159 -8.201
147 HA ASN 21 HA ASN 21 -5.045 15.526 -6.239
148 HB2 ASN 21 1HB ASN 21 -4.856 17.933 -7.022
149 HB3 ASN 21 2HB ASN 21 -3.326 17.230 -6.511
150 HD21 ASN 21 2HD2 ASN 21 -5.072 18.702 -9.083
151 HD22 ASN 21 1HD2 ASN 21 -3.837 18.550 -10.306
152 HXT ASN 21 H02 ASN 21 -7.057 14.975 -9.286
153 H1 PHE 1 3H0 PHE 1 -7.894 4.843 -22.357
154 H2 PHE 1 2H0 PHE 1 -7.335 3.881 -23.577
155 H3 PHE 1 1H0 PHE 1 -8.389 3.272 -22.464
156 HA PHE 1 HA PHE 1 -5.626 4.148 -21.929
157 HB2 PHE 1 1HB PHE 1 -7.364 4.527 -20.104
158 HB3 PHE 1 2HB PHE 1 -7.584 2.774 -20.051
159 HD1 PHE 1 HD1 PHE 1 -5.114 5.529 -19.530
160 HD2 PHE 1 HD2 PHE 1 -6.033 1.370 -18.872
161 HE1 PHE 1 HE1 PHE 1 -3.177 5.351 -17.982
162 HE2 PHE 1 HE2 PHE 1 -4.099 1.188 -17.312
163 HZ PHE 1 HZ PHE 1 -2.656 3.173 -16.885
164 H VAL 2 H VAL 2 -4.146 2.333 -21.457
165 HA VAL 2 HA VAL 2 -5.137 -0.264 -22.582
166 HB VAL 2 HB VAL 2 -2.390 1.031 -23.019
167 HG11 VAL 2 1HG1 VAL 2 -2.202 -1.417 -22.911
168 HG12 VAL 2 2HG1 VAL 2 -3.555 -1.600 -24.055
169 HG13 VAL 2 3HG1 VAL 2 -2.019 -0.883 -24.592
170 HG21 VAL 2 3HG2 VAL 2 -3.084 1.104 -25.433
171 HG22 VAL 2 1HG2 VAL 2 -4.722 0.607 -24.945
172 HG23 VAL 2 2HG2 VAL 2 -4.054 2.164 -24.397
173 H ASN 3 H ASN 3 -4.633 -2.043 -21.355
174 HA ASN 3 HA ASN 3 -3.551 -1.633 -18.704
175 HB2 ASN 3 1HB ASN 3 -3.432 -4.198 -18.733
176 HB3 ASN 3 2HB ASN 3 -5.049 -3.458 -18.846
177 HD21 ASN 3 2HD2 ASN 3 -3.172 -5.868 -20.061
178 HD22 ASN 3 1HD2 ASN 3 -3.936 -6.068 -21.617
179 H GLN 4 H GLN 4 -1.541 -1.533 -18.084
180 HA GLN 4 HA GLN 4 0.421 -3.412 -19.096
181 HB2 GLN 4 1HB GLN 4 2.086 -1.601 -19.647
182 HB3 GLN 4 2HB GLN 4 0.763 -1.733 -20.810
183 HG2 GLN 4 1HG GLN 4 -0.374 0.177 -19.703
184 HG3 GLN 4 2HG GLN 4 1.005 0.335 -18.620
185 HE21 GLN 4 2HE2 GLN 4 -0.266 0.918 -21.769
186 HE22 GLN 4 1HE2 GLN 4 1.096 1.829 -22.378
187 H HIS 5 H HIS 5 1.994 -3.674 -17.519
188 HA HIS 5 HA HIS 5 1.546 -2.539 -14.880
189 HB2 HIS 5 1HB HIS 5 4.009 -3.906 -16.047
190 HB3 HIS 5 2HB HIS 5 3.745 -3.547 -14.342
191 HD1 HIS 5 HD1 HIS 5 0.996 -4.562 -13.740
192 HD2 HIS 5 HD2 HIS 5 3.574 -6.577 -16.277
193 HE1 HIS 5 HE1 HIS 5 0.198 -7.001 -13.877
194 HE2 HIS 5 HE2 HIS 5 1.803 -8.194 -15.397
195 H LEU 6 H LEU 6 2.648 -0.853 -13.851
196 HA LEU 6 HA LEU 6 4.301 0.889 -15.660
197 HB2 LEU 6 1HB LEU 6 2.210 1.682 -13.621
198 HB3 LEU 6 2HB LEU 6 3.146 2.785 -14.609
199 HG LEU 6 HG LEU 6 1.161 0.801 -15.739
200 HD11 LEU 6 1HD1 LEU 6 -0.403 2.677 -15.885
201 HD12 LEU 6 2HD1 LEU 6 0.763 3.721 -15.039
202 HD13 LEU 6 3HD1 LEU 6 0.038 2.332 -14.203
203 HD21 LEU 6 3HD2 LEU 6 2.750 1.572 -17.409
204 HD22 LEU 6 1HD2 LEU 6 2.481 3.263 -16.911
205 HD23 LEU 6 2HD2 LEU 6 1.180 2.352 -17.686
206 H CYS 7 H CYS 7 6.348 0.689 -14.786
207 HA CYS 7 HA CYS 7 6.554 0.774 -11.800
208 HB2 CYS 7 1HB CYS 7 8.400 -0.471 -13.851
209 HB3 CYS 7 2HB CYS 7 8.628 -0.510 -12.099
210 H GLY 8 H GLY 8 7.278 2.747 -14.440
211 HA2 GLY 8 1HA GLY 8 9.205 4.279 -12.821
212 HA3 GLY 8 2HA GLY 8 9.822 3.609 -14.340
213 H SER 9 H SER 9 9.942 5.182 -15.842
214 HA SER 9 HA SER 9 8.504 7.616 -15.827
215 HB2 SER 9 1HB SER 9 9.080 7.286 -18.448
216 HB3 SER 9 2HB SER 9 10.316 7.701 -17.233
217 HG SER 9 HG SER 9 10.974 5.909 -18.466
218 H HIS 10 H HIS 10 7.638 4.449 -17.077
219 HA HIS 10 HA HIS 10 5.466 5.149 -18.755
220 HB2 HIS 10 1HB HIS 10 6.217 2.761 -17.093
221 HB3 HIS 10 2HB HIS 10 4.579 2.859 -17.727
222 HD1 HIS 10 HD1 HIS 10 4.177 1.989 -20.039
223 HD2 HIS 10 HD2 HIS 10 8.210 2.947 -19.330
224 HE1 HIS 10 HE1 HIS 10 5.477 1.272 -22.084
225 HE2 HIS 10 HE2 HIS 10 7.908 1.864 -21.666
226 H LEU 11 H LEU 11 5.627 4.901 -15.196
227 HA LEU 11 HA LEU 11 2.770 4.979 -14.836
228 HB2 LEU 11 1HB LEU 11 4.444 4.117 -13.193
229 HB3 LEU 11 2HB LEU 11 5.013 5.757 -12.937
230 HG LEU 11 HG LEU 11 3.009 6.386 -11.805
231 HD11 LEU 11 1HD1 LEU 11 1.888 3.655 -12.520
232 HD12 LEU 11 2HD1 LEU 11 1.304 5.228 -13.126
233 HD13 LEU 11 3HD1 LEU 11 1.144 4.824 -11.410
234 HD21 LEU 11 3HD2 LEU 11 3.114 4.875 -9.913
235 HD22 LEU 11 1HD2 LEU 11 4.739 5.003 -10.619
236 HD23 LEU 11 2HD2 LEU 11 3.749 3.560 -10.934
237 H VAL 12 H VAL 12 5.366 7.408 -14.924
238 HA VAL 12 HA VAL 12 3.737 9.659 -14.252
239 HB VAL 12 HB VAL 12 6.249 9.525 -15.995
240 HG11 VAL 12 1HG1 VAL 12 5.065 11.860 -14.455
241 HG12 VAL 12 2HG1 VAL 12 6.581 11.872 -15.381
242 HG13 VAL 12 3HG1 VAL 12 5.033 11.664 -16.220
243 HG21 VAL 12 3HG2 VAL 12 7.439 10.136 -13.872
244 HG22 VAL 12 1HG2 VAL 12 5.914 9.894 -12.987
245 HG23 VAL 12 2HG2 VAL 12 6.698 8.527 -13.815
246 H GLU 13 H GLU 13 4.607 8.131 -17.371
247 HA GLU 13 HA GLU 13 3.259 10.028 -19.043
248 HB2 GLU 13 1HB GLU 13 3.931 7.090 -19.412
249 HB3 GLU 13 2HB GLU 13 3.256 8.102 -20.693
250 HG2 GLU 13 1HG GLU 13 5.198 9.527 -20.695
251 HG3 GLU 13 2HG GLU 13 5.859 8.724 -19.268
252 HE2 GLU 13 HE2 GLU 13 6.721 7.398 -22.751
253 H ALA 14 H ALA 14 2.140 7.177 -17.261
254 HA ALA 14 HA ALA 14 -0.443 7.093 -18.581
255 HB1 ALA 14 3HB ALA 14 -1.037 5.548 -16.768
256 HB2 ALA 14 1HB ALA 14 0.558 5.139 -17.446
257 HB3 ALA 14 2HB ALA 14 0.445 5.991 -15.888
258 H LEU 15 H LEU 15 0.858 8.555 -15.592
259 HA LEU 15 HA LEU 15 -1.649 9.457 -14.568
260 HB2 LEU 15 1HB LEU 15 1.202 10.405 -14.204
261 HB3 LEU 15 2HB LEU 15 -0.154 11.140 -13.354
262 HG LEU 15 HG LEU 15 0.410 8.176 -13.171
263 HD11 LEU 15 1HD1 LEU 15 2.427 9.380 -12.403
264 HD12 LEU 15 2HD1 LEU 15 1.575 8.608 -11.052
265 HD13 LEU 15 3HD1 LEU 15 1.427 10.363 -11.306
266 HD21 LEU 15 3HD2 LEU 15 -0.912 8.318 -11.180
267 HD22 LEU 15 1HD2 LEU 15 -1.827 9.046 -12.501
268 HD23 LEU 15 2HD2 LEU 15 -1.019 10.089 -11.309
269 H TYR 16 H TYR 16 0.629 10.906 -16.883
270 HA TYR 16 HA TYR 16 -0.506 13.492 -17.090
271 HB2 TYR 16 1HB TYR 16 0.954 11.636 -18.932
272 HB3 TYR 16 2HB TYR 16 0.033 12.932 -19.689
273 HD1 TYR 16 HD1 TYR 16 0.509 15.358 -18.976
274 HD2 TYR 16 HD2 TYR 16 3.128 12.073 -18.054
275 HE1 TYR 16 HE1 TYR 16 2.392 16.957 -18.596
276 HE2 TYR 16 HE2 TYR 16 5.006 13.679 -17.687
277 HH TYR 16 HH TYR 16 5.653 15.875 -17.650
278 H LEU 17 H LEU 17 -1.455 10.422 -18.674
279 HA LEU 17 HA LEU 17 -3.584 11.648 -20.180
280 HB2 LEU 17 1HB LEU 17 -3.141 8.756 -19.386
281 HB3 LEU 17 2HB LEU 17 -4.309 9.326 -20.566
282 HG LEU 17 HG LEU 17 -1.302 9.640 -20.857
283 HD11 LEU 17 1HD1 LEU 17 -1.448 7.759 -22.436
284 HD12 LEU 17 2HD1 LEU 17 -3.180 7.575 -22.072
285 HD13 LEU 17 3HD1 LEU 17 -1.961 7.268 -20.809
286 HD21 LEU 17 3HD2 LEU 17 -1.853 10.054 -23.245
287 HD22 LEU 17 1HD2 LEU 17 -2.550 11.283 -22.176
288 HD23 LEU 17 2HD2 LEU 17 -3.586 10.000 -22.843
289 H VAL 18 H VAL 18 -3.506 9.805 -17.122
290 HA VAL 18 HA VAL 18 -6.390 9.599 -17.020
291 HB VAL 18 HB VAL 18 -4.257 9.146 -14.884
292 HG11 VAL 18 1HG1 VAL 18 -7.230 8.487 -14.882
293 HG12 VAL 18 2HG1 VAL 18 -6.046 7.824 -13.732
294 HG13 VAL 18 3HG1 VAL 18 -6.358 9.564 -13.764
295 HG21 VAL 18 3HG2 VAL 18 -5.785 7.264 -16.722
296 HG22 VAL 18 1HG2 VAL 18 -4.052 7.630 -16.773
297 HG23 VAL 18 2HG2 VAL 18 -4.723 6.752 -15.395
298 H CYS 19 H CYS 19 -4.012 11.694 -15.336
299 HA CYS 19 HA CYS 19 -6.253 13.036 -13.971
300 HB2 CYS 19 1HB CYS 19 -3.503 12.740 -13.440
301 HB3 CYS 19 2HB CYS 19 -3.745 14.461 -13.787
302 H GLY 20 H GLY 20 -4.480 13.285 -16.958
303 HA2 GLY 20 1HA GLY 20 -4.813 14.697 -18.725
304 HA3 GLY 20 2HA GLY 20 -6.370 15.087 -17.988
305 H GLU 21 H GLU 21 -6.443 17.182 -18.479
306 HA GLU 21 HA GLU 21 -4.245 18.985 -18.255
307 HB2 GLU 21 1HB GLU 21 -7.239 19.475 -18.392
308 HB3 GLU 21 2HB GLU 21 -6.004 20.730 -18.559
309 HG2 GLU 21 1HG GLU 21 -5.094 19.561 -20.548
310 HG3 GLU 21 2HG GLU 21 -6.368 18.342 -20.406
311 HE2 GLU 21 HE2 GLU 21 -7.477 20.690 -22.789
312 H ARG 22 H ARG 22 -6.152 17.699 -15.667
313 HA ARG 22 HA ARG 22 -6.118 20.154 -14.114
314 HB2 ARG 22 1HB ARG 22 -7.383 19.091 -12.610
315 HB3 ARG 22 2HB ARG 22 -7.666 18.011 -13.972
316 HG2 ARG 22 1HG ARG 22 -5.727 16.601 -13.015
317 HG3 ARG 22 2HG ARG 22 -5.904 17.597 -11.557
318 HD2 ARG 22 1HD ARG 22 -7.291 15.807 -11.104
319 HD3 ARG 22 2HD ARG 22 -8.429 17.002 -11.763
320 HE ARG 22 HE ARG 22 -7.503 15.560 -13.953
321 HH11 ARG 22 1HH1 ARG 22 -9.234 14.691 -10.980
322 HH12 ARG 22 2HH1 ARG 22 -9.957 13.276 -11.715
323 HH21 ARG 22 1HH2 ARG 22 -8.496 13.735 -14.793
324 HH22 ARG 22 2HH2 ARG 22 -9.562 12.766 -13.800
325 H GLY 23 H GLY 23 -3.736 17.982 -15.014
326 HA2 GLY 23 1HA GLY 23 -1.479 18.044 -14.430
327 HA3 GLY 23 2HA GLY 23 -1.862 19.144 -13.084
328 H PHE 24 H PHE 24 -0.077 17.201 -12.541
329 HA PHE 24 HA PHE 24 -1.485 15.549 -10.601
330 HB2 PHE 24 1HB PHE 24 -0.785 13.421 -11.440
331 HB3 PHE 24 2HB PHE 24 -1.644 14.231 -12.746
332 HD1 PHE 24 HD1 PHE 24 -0.283 15.327 -14.596
333 HD2 PHE 24 HD2 PHE 24 1.410 12.685 -11.666
334 HE1 PHE 24 HE1 PHE 24 1.680 14.982 -16.048
335 HE2 PHE 24 HE2 PHE 24 3.358 12.290 -13.118
336 HZ PHE 24 HZ PHE 24 3.517 13.447 -15.333
337 H PHE 25 H PHE 25 0.224 14.162 -9.438
338 HA PHE 25 HA PHE 25 2.944 15.337 -9.626
339 HB2 PHE 25 1HB PHE 25 3.107 15.329 -7.164
340 HB3 PHE 25 2HB PHE 25 1.866 16.457 -7.717
341 HD1 PHE 25 HD2 PHE 25 2.451 13.159 -6.097
342 HD2 PHE 25 HD1 PHE 25 -0.459 16.159 -7.130
343 HE1 PHE 25 HE2 PHE 25 0.793 12.054 -4.609
344 HE2 PHE 25 HE1 PHE 25 -2.114 15.070 -5.616
345 HZ PHE 25 HZ PHE 25 -1.493 13.007 -4.364
346 H TYR 26 H TYR 26 4.492 13.759 -8.500
347 HA TYR 26 HA TYR 26 3.437 10.999 -8.356
348 HB2 TYR 26 1HB TYR 26 4.060 11.180 -10.697
349 HB3 TYR 26 2HB TYR 26 5.603 11.937 -10.276
350 HD1 TYR 26 HD2 TYR 26 3.725 8.790 -9.324
351 HD2 TYR 26 HD1 TYR 26 7.483 10.567 -10.441
352 HE1 TYR 26 HE2 TYR 26 4.835 6.574 -9.162
353 HE2 TYR 26 HE1 TYR 26 8.570 8.326 -10.327
354 HH TYR 26 HH TYR 26 8.287 6.102 -9.945
355 H THR 27 H THR 27 4.531 9.786 -6.892
356 HA THR 27 HA THR 27 6.815 11.102 -5.522
357 HB THR 27 HB THR 27 5.344 10.757 -3.795
358 HG1 THR 27 HG1 THR 27 7.106 9.536 -3.203
359 HG21 THR 27 1HG2 THR 27 3.888 8.716 -3.659
360 HG22 THR 27 2HG2 THR 27 4.420 8.318 -5.308
361 HG23 THR 27 3HG2 THR 27 3.520 9.826 -4.992
362 HA PRO 28 HA PRO 28 8.863 7.726 -7.662
363 HB2 PRO 28 1HB PRO 28 11.410 8.660 -7.530
364 HB3 PRO 28 2HB PRO 28 10.169 9.430 -8.570
365 HG2 PRO 28 1HG PRO 28 11.178 10.265 -5.880
366 HG3 PRO 28 2HG PRO 28 10.827 11.262 -7.321
367 HD2 PRO 28 1HD PRO 28 9.119 10.918 -5.148
368 HD3 PRO 28 2HD PRO 28 8.555 11.390 -6.782
369 H LYS 29 H LYS 29 10.416 6.024 -7.184
370 HA LYS 29 HA LYS 29 10.499 5.380 -4.308
371 HB2 LYS 29 1HB LYS 29 11.524 3.856 -6.738
372 HB3 LYS 29 2HB LYS 29 11.499 3.248 -5.078
373 HG2 LYS 29 1HG LYS 29 8.980 3.527 -5.133
374 HG3 LYS 29 2HG LYS 29 9.129 3.839 -6.871
375 HD2 LYS 29 1HD LYS 29 10.097 1.303 -5.456
376 HD3 LYS 29 2HD LYS 29 8.561 1.461 -6.320
377 HE2 LYS 29 1HE LYS 29 9.842 0.485 -7.971
378 HE3 LYS 29 2HE LYS 29 10.099 2.192 -8.355
379 HZ1 LYS 29 3HZ LYS 29 11.971 0.465 -6.808
380 HZ2 LYS 29 1HZ LYS 29 12.227 2.057 -7.151
381 HZ3 LYS 29 2HZ LYS 29 12.180 0.946 -8.370
382 H THR 30 H THR 30 11.976 6.917 -3.497
383 HA THR 30 HA THR 30 14.616 7.139 -4.746
384 HB THR 30 HB THR 30 15.105 8.668 -2.785
385 HG1 THR 30 HG1 THR 30 13.195 9.145 -1.489
386 HG21 THR 30 1HG2 THR 30 13.555 10.457 -3.469
387 HG22 THR 30 2HG2 THR 30 12.403 9.291 -4.133
388 HG23 THR 30 3HG2 THR 30 13.977 9.539 -4.919
389 HXT THR 30 H02 THR 30 13.755 6.462 -1.631
Start of MODEL 45
1 H1 GLY 1 3H0 GLY 1 1.207 -1.586 -1.292
2 H2 GLY 1 2H0 GLY 1 2.702 -1.693 -1.979
3 H3 GLY 1 1H0 GLY 1 2.556 -1.437 -0.356
4 HA2 GLY 1 1HA GLY 1 1.579 0.727 -0.707
5 HA3 GLY 1 2HA GLY 1 3.178 0.610 -1.466
6 H ILE 2 H ILE 2 1.333 2.569 -2.363
7 HA ILE 2 HA ILE 2 -0.363 1.591 -4.415
8 HB ILE 2 HB ILE 2 -0.579 3.809 -3.283
9 HG12 ILE 2 1HG1 ILE 2 -0.485 3.940 -6.312
10 HG13 ILE 2 2HG1 ILE 2 -1.763 3.168 -5.375
11 HG21 ILE 2 1HG2 ILE 2 1.882 4.482 -3.473
12 HG22 ILE 2 2HG2 ILE 2 1.577 4.842 -5.193
13 HG23 ILE 2 3HG2 ILE 2 0.724 5.743 -3.925
14 HD11 ILE 2 3HD1 ILE 2 -2.508 5.362 -6.085
15 HD12 ILE 2 1HD1 ILE 2 -2.285 5.387 -4.321
16 HD13 ILE 2 2HD1 ILE 2 -1.074 6.139 -5.389
17 H VAL 3 H VAL 3 3.008 2.836 -4.717
18 HA VAL 3 HA VAL 3 3.041 2.591 -7.565
19 HB VAL 3 HB VAL 3 4.669 3.985 -6.328
20 HG11 VAL 3 1HG1 VAL 3 5.948 1.379 -5.388
21 HG12 VAL 3 2HG1 VAL 3 6.564 3.020 -5.117
22 HG13 VAL 3 3HG1 VAL 3 5.043 2.522 -4.360
23 HG21 VAL 3 3HG2 VAL 3 6.071 1.780 -7.897
24 HG22 VAL 3 1HG2 VAL 3 5.205 3.155 -8.612
25 HG23 VAL 3 2HG2 VAL 3 6.652 3.441 -7.628
26 H GLU 4 H GLU 4 3.617 0.299 -4.969
27 HA GLU 4 HA GLU 4 4.783 -1.758 -6.560
28 HB2 GLU 4 1HB GLU 4 4.740 -1.602 -4.041
29 HB3 GLU 4 2HB GLU 4 3.029 -2.011 -4.101
30 HG2 GLU 4 1HG GLU 4 3.617 -4.181 -5.165
31 HG3 GLU 4 2HG GLU 4 5.326 -3.775 -4.943
32 HE2 GLU 4 HE2 GLU 4 4.617 -5.700 -2.144
33 H GLN 5 H GLN 5 1.404 -0.896 -5.760
34 HA GLN 5 HA GLN 5 0.197 -3.209 -6.859
35 HB2 GLN 5 1HB GLN 5 -0.760 -1.267 -5.413
36 HB3 GLN 5 2HB GLN 5 -1.084 -0.464 -6.950
37 HG2 GLN 5 1HG GLN 5 -2.045 -3.291 -6.495
38 HG3 GLN 5 2HG GLN 5 -2.917 -1.946 -5.752
39 HE21 GLN 5 2HE2 GLN 5 -2.590 -3.837 -8.510
40 HE22 GLN 5 1HE2 GLN 5 -3.556 -2.871 -9.599
41 H CYS 6 H CYS 6 1.044 -0.068 -8.373
42 HA CYS 6 HA CYS 6 -0.035 -0.841 -10.957
43 HB2 CYS 6 1HB CYS 6 1.799 1.387 -10.031
44 HB3 CYS 6 2HB CYS 6 1.374 1.151 -11.724
45 H CYS 7 H CYS 7 3.101 -1.237 -9.394
46 HA CYS 7 HA CYS 7 4.440 -1.699 -11.939
47 HB2 CYS 7 1HB CYS 7 5.211 -1.503 -9.096
48 HB3 CYS 7 2HB CYS 7 6.151 -2.667 -10.036
49 H THR 8 H THR 8 3.595 -3.790 -9.115
50 HA THR 8 HA THR 8 4.664 -6.099 -10.557
51 HB THR 8 HB THR 8 4.753 -5.669 -7.984
52 HG1 THR 8 HG1 THR 8 4.626 -7.987 -7.684
53 HG21 THR 8 1HG2 THR 8 2.974 -6.551 -6.650
54 HG22 THR 8 2HG2 THR 8 2.109 -7.167 -8.073
55 HG23 THR 8 3HG2 THR 8 2.209 -5.415 -7.780
56 H SER 9 H SER 9 1.588 -4.529 -10.320
57 HA SER 9 HA SER 9 0.483 -6.697 -11.971
58 HB2 SER 9 1HB SER 9 -0.090 -7.144 -9.499
59 HB3 SER 9 2HB SER 9 -1.070 -5.665 -9.548
60 HG SER 9 HG SER 9 -2.125 -7.783 -10.041
61 H ILE 10 H ILE 10 -2.091 -5.840 -12.259
62 HA ILE 10 HA ILE 10 -1.525 -3.422 -13.866
63 HB ILE 10 HB ILE 10 -4.059 -5.124 -13.694
64 HG12 ILE 10 1HG1 ILE 10 -2.135 -6.474 -14.463
65 HG13 ILE 10 2HG1 ILE 10 -3.381 -6.277 -15.688
66 HG21 ILE 10 1HG2 ILE 10 -3.171 -3.035 -15.742
67 HG22 ILE 10 2HG2 ILE 10 -4.608 -4.081 -15.894
68 HG23 ILE 10 3HG2 ILE 10 -4.522 -2.892 -14.588
69 HD11 ILE 10 3HD1 ILE 10 -2.043 -4.732 -16.946
70 HD12 ILE 10 1HD1 ILE 10 -0.847 -4.603 -15.642
71 HD13 ILE 10 2HD1 ILE 10 -1.022 -6.122 -16.545
72 H CYS 11 H CYS 11 -2.278 -1.410 -13.379
73 HA CYS 11 HA CYS 11 -4.445 -1.243 -11.338
74 HB2 CYS 11 1HB CYS 11 -3.519 0.787 -10.478
75 HB3 CYS 11 2HB CYS 11 -2.278 -0.452 -10.416
76 H SER 12 H SER 12 -6.144 0.044 -11.914
77 HA SER 12 HA SER 12 -6.341 0.575 -14.800
78 HB2 SER 12 1HB SER 12 -8.724 0.893 -14.307
79 HB3 SER 12 2HB SER 12 -8.143 -0.601 -13.539
80 HG SER 12 HG SER 12 -9.236 0.438 -11.961
81 H LEU 13 H LEU 13 -7.711 2.665 -15.328
82 HA LEU 13 HA LEU 13 -6.142 4.922 -14.634
83 HB2 LEU 13 1HB LEU 13 -7.734 6.227 -15.821
84 HB3 LEU 13 2HB LEU 13 -7.507 4.715 -16.675
85 HG LEU 13 HG LEU 13 -9.745 4.139 -15.196
86 HD11 LEU 13 1HD1 LEU 13 -11.254 6.096 -15.441
87 HD12 LEU 13 2HD1 LEU 13 -9.881 7.087 -15.977
88 HD13 LEU 13 3HD1 LEU 13 -9.924 6.434 -14.321
89 HD21 LEU 13 3HD2 LEU 13 -9.402 3.725 -17.595
90 HD22 LEU 13 1HD2 LEU 13 -9.616 5.461 -17.934
91 HD23 LEU 13 2HD2 LEU 13 -10.971 4.499 -17.297
92 H TYR 14 H TYR 14 -9.042 3.550 -13.119
93 HA TYR 14 HA TYR 14 -9.645 5.821 -11.488
94 HB2 TYR 14 1HB TYR 14 -10.149 2.913 -10.805
95 HB3 TYR 14 2HB TYR 14 -11.075 4.324 -10.284
96 HD1 TYR 14 HD2 TYR 14 -12.203 5.733 -12.247
97 HD2 TYR 14 HD1 TYR 14 -10.864 1.661 -12.653
98 HE1 TYR 14 HE2 TYR 14 -13.691 5.433 -14.233
99 HE2 TYR 14 HE1 TYR 14 -12.336 1.382 -14.654
100 HH TYR 14 HH TYR 14 -13.911 2.352 -16.011
101 H GLN 15 H GLN 15 -7.542 2.978 -11.064
102 HA GLN 15 HA GLN 15 -6.838 3.531 -8.324
103 HB2 GLN 15 1HB GLN 15 -5.296 2.081 -10.503
104 HB3 GLN 15 2HB GLN 15 -4.899 2.048 -8.788
105 HG2 GLN 15 1HG GLN 15 -7.496 1.005 -9.977
106 HG3 GLN 15 2HG GLN 15 -6.082 0.012 -9.597
107 HE21 GLN 15 2HE2 GLN 15 -5.416 -0.199 -7.389
108 HE22 GLN 15 1HE2 GLN 15 -6.604 0.020 -6.117
109 H LEU 16 H LEU 16 -5.538 4.442 -11.502
110 HA LEU 16 HA LEU 16 -3.199 5.764 -10.538
111 HB2 LEU 16 1HB LEU 16 -4.784 5.927 -13.094
112 HB3 LEU 16 2HB LEU 16 -3.355 6.921 -12.829
113 HG LEU 16 HG LEU 16 -3.300 3.898 -12.567
114 HD11 LEU 16 1HD1 LEU 16 -2.347 3.831 -14.830
115 HD12 LEU 16 2HD1 LEU 16 -2.659 5.573 -15.016
116 HD13 LEU 16 3HD1 LEU 16 -4.012 4.432 -14.838
117 HD21 LEU 16 3HD2 LEU 16 -0.880 4.198 -12.934
118 HD22 LEU 16 1HD2 LEU 16 -1.423 5.098 -11.511
119 HD23 LEU 16 2HD2 LEU 16 -1.103 5.959 -13.034
120 H GLU 17 H GLU 17 -6.548 6.937 -10.937
121 HA GLU 17 HA GLU 17 -5.995 9.718 -10.715
122 HB2 GLU 17 1HB GLU 17 -8.359 8.033 -9.858
123 HB3 GLU 17 2HB GLU 17 -8.315 9.781 -9.618
124 HG2 GLU 17 1HG GLU 17 -8.039 10.133 -12.019
125 HG3 GLU 17 2HG GLU 17 -8.058 8.389 -12.286
126 HE2 GLU 17 HE2 GLU 17 -11.404 10.305 -11.484
127 H ASN 18 H ASN 18 -5.771 7.225 -8.262
128 HA ASN 18 HA ASN 18 -6.089 8.915 -5.961
129 HB2 ASN 18 1HB ASN 18 -4.578 6.327 -6.381
130 HB3 ASN 18 2HB ASN 18 -4.642 7.152 -4.823
131 HD21 ASN 18 2HD2 ASN 18 -6.269 5.087 -6.994
132 HD22 ASN 18 1HD2 ASN 18 -7.744 4.924 -6.066
133 H TYR 19 H TYR 19 -3.403 8.520 -8.200
134 HA TYR 19 HA TYR 19 -1.347 9.615 -6.450
135 HB2 TYR 19 1HB TYR 19 -1.659 9.351 -9.443
136 HB3 TYR 19 2HB TYR 19 -0.240 10.093 -8.728
137 HD1 TYR 19 HD2 TYR 19 -2.108 6.876 -9.061
138 HD2 TYR 19 HD1 TYR 19 1.512 8.777 -7.739
139 HE1 TYR 19 HE2 TYR 19 -1.009 4.653 -8.880
140 HE2 TYR 19 HE1 TYR 19 2.600 6.545 -7.555
141 HH TYR 19 HH TYR 19 2.400 4.316 -7.926
142 H CYS 20 H CYS 20 -3.863 10.867 -8.557
143 HA CYS 20 HA CYS 20 -2.828 13.631 -8.472
144 HB2 CYS 20 1HB CYS 20 -5.459 12.613 -9.590
145 HB3 CYS 20 2HB CYS 20 -4.590 14.091 -10.036
146 H ASN 21 H ASN 21 -3.154 12.803 -5.990
147 HA ASN 21 HA ASN 21 -5.796 12.858 -4.908
148 HB2 ASN 21 1HB ASN 21 -3.377 12.011 -3.991
149 HB3 ASN 21 2HB ASN 21 -3.501 13.529 -3.097
150 HD21 ASN 21 2HD2 ASN 21 -4.786 10.351 -3.654
151 HD22 ASN 21 1HD2 ASN 21 -5.885 10.334 -2.287
152 HXT ASN 21 H02 ASN 21 -6.488 15.978 -4.068
153 H1 PHE 1 3H0 PHE 1 -7.559 4.695 -23.070
154 H2 PHE 1 2H0 PHE 1 -7.181 3.513 -24.159
155 H3 PHE 1 1H0 PHE 1 -8.377 3.261 -23.054
156 HA PHE 1 HA PHE 1 -5.510 3.588 -22.451
157 HB2 PHE 1 1HB PHE 1 -7.302 4.478 -20.798
158 HB3 PHE 1 2HB PHE 1 -7.714 2.780 -20.530
159 HD1 PHE 1 HD2 PHE 1 -5.094 5.383 -20.121
160 HD2 PHE 1 HD1 PHE 1 -6.245 1.326 -19.232
161 HE1 PHE 1 HE2 PHE 1 -3.262 5.235 -18.441
162 HE2 PHE 1 HE1 PHE 1 -4.404 1.168 -17.561
163 HZ PHE 1 HZ PHE 1 -2.915 3.123 -17.159
164 H VAL 2 H VAL 2 -4.461 1.568 -21.763
165 HA VAL 2 HA VAL 2 -6.012 -0.899 -22.306
166 HB VAL 2 HB VAL 2 -4.811 -0.274 -24.452
167 HG11 VAL 2 1HG1 VAL 2 -2.261 -0.775 -22.861
168 HG12 VAL 2 2HG1 VAL 2 -2.382 -0.433 -24.599
169 HG13 VAL 2 3HG1 VAL 2 -2.821 0.820 -23.421
170 HG21 VAL 2 3HG2 VAL 2 -5.341 -2.637 -23.880
171 HG22 VAL 2 1HG2 VAL 2 -3.877 -2.485 -24.869
172 HG23 VAL 2 2HG2 VAL 2 -3.734 -2.800 -23.126
173 H ASN 3 H ASN 3 -5.238 -2.652 -21.021
174 HA ASN 3 HA ASN 3 -3.904 -1.748 -18.617
175 HB2 ASN 3 1HB ASN 3 -3.861 -4.176 -18.000
176 HB3 ASN 3 2HB ASN 3 -5.487 -3.502 -18.285
177 HD21 ASN 3 2HD2 ASN 3 -6.654 -4.172 -20.138
178 HD22 ASN 3 1HD2 ASN 3 -6.184 -5.605 -21.019
179 H GLN 4 H GLN 4 -1.912 -1.814 -18.015
180 HA GLN 4 HA GLN 4 -0.044 -3.815 -18.954
181 HB2 GLN 4 1HB GLN 4 1.663 -2.142 -19.705
182 HB3 GLN 4 2HB GLN 4 0.288 -2.254 -20.807
183 HG2 GLN 4 1HG GLN 4 -0.672 -0.197 -19.798
184 HG3 GLN 4 2HG GLN 4 0.750 -0.071 -18.757
185 HE21 GLN 4 2HE2 GLN 4 -0.406 0.005 -22.082
186 HE22 GLN 4 1HE2 GLN 4 0.944 0.914 -22.719
187 H HIS 5 H HIS 5 1.711 -3.786 -17.466
188 HA HIS 5 HA HIS 5 1.222 -2.563 -14.871
189 HB2 HIS 5 1HB HIS 5 3.804 -3.737 -16.000
190 HB3 HIS 5 2HB HIS 5 3.471 -3.379 -14.303
191 HD1 HIS 5 HD1 HIS 5 0.863 -4.668 -13.701
192 HD2 HIS 5 HD2 HIS 5 3.635 -6.455 -16.214
193 HE1 HIS 5 HE1 HIS 5 0.309 -7.170 -13.796
194 HE2 HIS 5 HE2 HIS 5 2.025 -8.223 -15.305
195 H LEU 6 H LEU 6 2.263 -0.722 -13.984
196 HA LEU 6 HA LEU 6 3.654 1.025 -15.992
197 HB2 LEU 6 1HB LEU 6 1.636 1.657 -13.833
198 HB3 LEU 6 2HB LEU 6 2.716 2.852 -14.468
199 HG LEU 6 HG LEU 6 0.922 3.433 -15.603
200 HD11 LEU 6 1HD1 LEU 6 0.765 2.495 -17.898
201 HD12 LEU 6 2HD1 LEU 6 1.899 1.214 -17.424
202 HD13 LEU 6 3HD1 LEU 6 2.407 2.915 -17.411
203 HD21 LEU 6 3HD2 LEU 6 -0.003 0.571 -15.635
204 HD22 LEU 6 1HD2 LEU 6 -0.894 1.947 -16.320
205 HD23 LEU 6 2HD2 LEU 6 -0.572 1.880 -14.580
206 H CYS 7 H CYS 7 5.738 1.173 -15.465
207 HA CYS 7 HA CYS 7 6.405 1.844 -12.630
208 HB2 CYS 7 1HB CYS 7 7.978 0.042 -14.518
209 HB3 CYS 7 2HB CYS 7 8.571 0.644 -12.970
210 H GLY 8 H GLY 8 8.288 3.228 -12.442
211 HA2 GLY 8 1HA GLY 8 9.650 4.964 -13.112
212 HA3 GLY 8 2HA GLY 8 9.956 3.967 -14.537
213 H SER 9 H SER 9 9.900 5.216 -16.260
214 HA SER 9 HA SER 9 8.471 7.648 -16.478
215 HB2 SER 9 1HB SER 9 8.919 7.341 -18.952
216 HB3 SER 9 2HB SER 9 10.349 7.218 -17.901
217 HG SER 9 HG SER 9 10.269 5.517 -19.427
218 H HIS 10 H HIS 10 7.511 4.313 -17.352
219 HA HIS 10 HA HIS 10 5.222 5.068 -18.892
220 HB2 HIS 10 1HB HIS 10 6.104 2.593 -17.449
221 HB3 HIS 10 2HB HIS 10 4.408 2.724 -17.892
222 HD1 HIS 10 HD1 HIS 10 3.881 1.618 -20.068
223 HD2 HIS 10 HD2 HIS 10 7.729 3.312 -20.010
224 HE1 HIS 10 HE1 HIS 10 4.931 1.154 -22.325
225 HE2 HIS 10 HE2 HIS 10 7.248 2.180 -22.288
226 H LEU 11 H LEU 11 5.710 4.730 -15.386
227 HA LEU 11 HA LEU 11 2.899 4.831 -14.769
228 HB2 LEU 11 1HB LEU 11 4.618 3.936 -13.236
229 HB3 LEU 11 2HB LEU 11 5.318 5.539 -13.078
230 HG LEU 11 HG LEU 11 3.352 6.350 -11.901
231 HD11 LEU 11 1HD1 LEU 11 2.243 3.531 -12.200
232 HD12 LEU 11 2HD1 LEU 11 1.577 5.010 -12.941
233 HD13 LEU 11 3HD1 LEU 11 1.558 4.817 -11.181
234 HD21 LEU 11 3HD2 LEU 11 4.350 3.678 -10.835
235 HD22 LEU 11 1HD2 LEU 11 3.618 4.990 -9.877
236 HD23 LEU 11 2HD2 LEU 11 5.183 5.246 -10.673
237 H VAL 12 H VAL 12 5.469 7.360 -14.791
238 HA VAL 12 HA VAL 12 3.579 9.360 -13.965
239 HB VAL 12 HB VAL 12 6.104 9.463 -13.654
240 HG11 VAL 12 1HG1 VAL 12 7.459 10.498 -15.411
241 HG12 VAL 12 2HG1 VAL 12 6.803 8.948 -15.950
242 HG13 VAL 12 3HG1 VAL 12 6.077 10.464 -16.530
243 HG21 VAL 12 3HG2 VAL 12 4.765 11.899 -14.862
244 HG22 VAL 12 1HG2 VAL 12 4.623 11.347 -13.177
245 HG23 VAL 12 2HG2 VAL 12 6.191 11.897 -13.799
246 H GLU 13 H GLU 13 4.578 8.115 -17.134
247 HA GLU 13 HA GLU 13 3.307 10.166 -18.698
248 HB2 GLU 13 1HB GLU 13 4.015 7.272 -19.224
249 HB3 GLU 13 2HB GLU 13 3.200 8.267 -20.435
250 HG2 GLU 13 1HG GLU 13 5.049 9.818 -20.519
251 HG3 GLU 13 2HG GLU 13 5.854 9.009 -19.171
252 HE2 GLU 13 HE2 GLU 13 6.665 7.901 -22.706
253 H ALA 14 H ALA 14 2.110 7.103 -17.253
254 HA ALA 14 HA ALA 14 -0.430 7.183 -18.554
255 HB1 ALA 14 3HB ALA 14 -1.115 5.608 -16.814
256 HB2 ALA 14 1HB ALA 14 0.512 5.196 -17.400
257 HB3 ALA 14 2HB ALA 14 0.314 6.026 -15.838
258 H LEU 15 H LEU 15 0.793 8.653 -15.528
259 HA LEU 15 HA LEU 15 -1.755 9.510 -14.577
260 HB2 LEU 15 1HB LEU 15 1.024 10.631 -14.132
261 HB3 LEU 15 2HB LEU 15 -0.410 11.194 -13.284
262 HG LEU 15 HG LEU 15 0.693 8.375 -13.126
263 HD11 LEU 15 1HD1 LEU 15 1.368 8.960 -10.867
264 HD12 LEU 15 2HD1 LEU 15 0.760 10.618 -11.093
265 HD13 LEU 15 3HD1 LEU 15 2.149 10.038 -12.042
266 HD21 LEU 15 3HD2 LEU 15 -0.909 8.134 -11.276
267 HD22 LEU 15 1HD2 LEU 15 -1.704 8.399 -12.829
268 HD23 LEU 15 2HD2 LEU 15 -1.575 9.737 -11.671
269 H TYR 16 H TYR 16 0.493 11.020 -16.891
270 HA TYR 16 HA TYR 16 -0.859 13.561 -16.969
271 HB2 TYR 16 1HB TYR 16 0.833 12.066 -18.996
272 HB3 TYR 16 2HB TYR 16 0.062 13.606 -19.376
273 HD1 TYR 16 HD1 TYR 16 0.573 15.640 -17.842
274 HD2 TYR 16 HD2 TYR 16 2.961 12.065 -17.914
275 HE1 TYR 16 HE1 TYR 16 2.474 16.880 -16.803
276 HE2 TYR 16 HE2 TYR 16 4.859 13.313 -16.889
277 HH TYR 16 HH TYR 16 5.595 15.317 -16.068
278 H LEU 17 H LEU 17 -1.407 10.473 -18.670
279 HA LEU 17 HA LEU 17 -3.468 11.581 -20.372
280 HB2 LEU 17 1HB LEU 17 -2.945 8.725 -19.511
281 HB3 LEU 17 2HB LEU 17 -4.060 9.234 -20.769
282 HG LEU 17 HG LEU 17 -1.054 9.675 -20.858
283 HD11 LEU 17 1HD1 LEU 17 -1.623 7.282 -20.877
284 HD12 LEU 17 2HD1 LEU 17 -1.019 7.811 -22.460
285 HD13 LEU 17 3HD1 LEU 17 -2.763 7.555 -22.218
286 HD21 LEU 17 3HD2 LEU 17 -1.457 10.085 -23.279
287 HD22 LEU 17 1HD2 LEU 17 -2.258 11.285 -22.250
288 HD23 LEU 17 2HD2 LEU 17 -3.210 9.979 -22.991
289 H VAL 18 H VAL 18 -3.515 9.777 -17.293
290 HA VAL 18 HA VAL 18 -6.373 9.422 -17.296
291 HB VAL 18 HB VAL 18 -4.262 9.227 -15.095
292 HG11 VAL 18 1HG1 VAL 18 -5.958 7.985 -13.770
293 HG12 VAL 18 2HG1 VAL 18 -6.401 9.680 -14.003
294 HG13 VAL 18 3HG1 VAL 18 -7.200 8.421 -14.971
295 HG21 VAL 18 3HG2 VAL 18 -4.629 6.798 -15.405
296 HG22 VAL 18 1HG2 VAL 18 -5.770 7.142 -16.720
297 HG23 VAL 18 2HG2 VAL 18 -4.061 7.574 -16.888
298 H CYS 19 H CYS 19 -4.215 11.738 -15.630
299 HA CYS 19 HA CYS 19 -6.634 13.049 -14.542
300 HB2 CYS 19 1HB CYS 19 -3.689 13.417 -13.951
301 HB3 CYS 19 2HB CYS 19 -5.012 14.313 -13.158
302 H GLY 20 H GLY 20 -4.695 13.295 -17.312
303 HA2 GLY 20 1HA GLY 20 -4.974 14.774 -19.044
304 HA3 GLY 20 2HA GLY 20 -6.261 15.556 -18.122
305 H GLU 21 H GLU 21 -5.463 17.457 -19.169
306 HA GLU 21 HA GLU 21 -2.861 18.543 -18.653
307 HB2 GLU 21 1HB GLU 21 -5.478 19.912 -19.401
308 HB3 GLU 21 2HB GLU 21 -3.884 20.661 -19.452
309 HG2 GLU 21 1HG GLU 21 -4.213 20.087 -21.677
310 HG3 GLU 21 2HG GLU 21 -3.243 18.732 -21.087
311 HE2 GLU 21 HE2 GLU 21 -5.779 17.195 -22.910
312 H ARG 22 H ARG 22 -5.398 18.085 -16.496
313 HA ARG 22 HA ARG 22 -5.227 20.522 -14.941
314 HB2 ARG 22 1HB ARG 22 -6.045 17.697 -14.166
315 HB3 ARG 22 2HB ARG 22 -6.290 19.131 -13.165
316 HG2 ARG 22 1HG ARG 22 -7.811 20.089 -14.807
317 HG3 ARG 22 2HG ARG 22 -7.506 18.749 -15.927
318 HD2 ARG 22 1HD ARG 22 -8.709 18.431 -13.155
319 HD3 ARG 22 2HD ARG 22 -9.645 18.526 -14.663
320 HE ARG 22 HE ARG 22 -7.651 16.489 -14.916
321 HH11 ARG 22 1HH1 ARG 22 -10.702 17.037 -13.211
322 HH12 ARG 22 2HH1 ARG 22 -11.077 15.336 -13.158
323 HH21 ARG 22 1HH2 ARG 22 -8.201 14.369 -14.825
324 HH22 ARG 22 2HH2 ARG 22 -9.672 13.843 -14.050
325 H GLY 23 H GLY 23 -3.252 17.674 -15.279
326 HA2 GLY 23 1HA GLY 23 -1.090 17.419 -14.452
327 HA3 GLY 23 2HA GLY 23 -1.321 18.829 -13.405
328 H PHE 24 H PHE 24 -0.065 17.127 -12.093
329 HA PHE 24 HA PHE 24 -1.797 16.020 -10.054
330 HB2 PHE 24 1HB PHE 24 -1.040 13.680 -10.333
331 HB3 PHE 24 2HB PHE 24 -2.007 14.212 -11.711
332 HD1 PHE 24 HD1 PHE 24 -1.042 14.533 -13.905
333 HD2 PHE 24 HD2 PHE 24 1.362 13.271 -10.587
334 HE1 PHE 24 HE1 PHE 24 0.781 13.916 -15.458
335 HE2 PHE 24 HE2 PHE 24 3.196 12.657 -12.126
336 HZ PHE 24 HZ PHE 24 2.912 12.988 -14.590
337 H PHE 25 H PHE 25 -0.041 14.638 -8.607
338 HA PHE 25 HA PHE 25 2.631 15.907 -8.936
339 HB2 PHE 25 1HB PHE 25 2.848 16.251 -6.569
340 HB3 PHE 25 2HB PHE 25 1.367 17.060 -7.091
341 HD1 PHE 25 HD2 PHE 25 -0.856 16.135 -6.460
342 HD2 PHE 25 HD1 PHE 25 2.805 14.340 -5.081
343 HE1 PHE 25 HE2 PHE 25 -2.121 14.881 -4.734
344 HE2 PHE 25 HE1 PHE 25 1.537 13.062 -3.361
345 HZ PHE 25 HZ PHE 25 -0.934 13.331 -3.185
346 H TYR 26 H TYR 26 4.317 14.575 -7.829
347 HA TYR 26 HA TYR 26 3.513 11.770 -7.317
348 HB2 TYR 26 1HB TYR 26 4.074 12.010 -9.777
349 HB3 TYR 26 2HB TYR 26 5.702 12.513 -9.295
350 HD1 TYR 26 HD2 TYR 26 3.285 9.703 -9.388
351 HD2 TYR 26 HD1 TYR 26 7.303 10.877 -8.401
352 HE1 TYR 26 HE2 TYR 26 3.945 7.314 -9.212
353 HE2 TYR 26 HE1 TYR 26 7.954 8.477 -8.215
354 HH TYR 26 HH TYR 26 7.274 6.308 -8.372
355 H THR 27 H THR 27 4.904 10.828 -5.804
356 HA THR 27 HA THR 27 7.065 12.632 -4.808
357 HB THR 27 HB THR 27 6.637 11.641 -2.549
358 HG1 THR 27 HG1 THR 27 4.073 10.908 -3.214
359 HG21 THR 27 1HG2 THR 27 4.640 12.964 -2.086
360 HG22 THR 27 2HG2 THR 27 4.217 12.987 -3.813
361 HG23 THR 27 3HG2 THR 27 5.672 13.834 -3.243
362 HA PRO 28 HA PRO 28 9.133 8.790 -6.059
363 HB2 PRO 28 1HB PRO 28 11.589 9.836 -6.597
364 HB3 PRO 28 2HB PRO 28 10.221 10.005 -7.745
365 HG2 PRO 28 1HG PRO 28 11.195 11.955 -5.671
366 HG3 PRO 28 2HG PRO 28 10.900 12.225 -7.419
367 HD2 PRO 28 1HD PRO 28 9.052 12.872 -5.561
368 HD3 PRO 28 2HD PRO 28 8.570 12.183 -7.150
369 H LYS 29 H LYS 29 11.138 7.715 -5.160
370 HA LYS 29 HA LYS 29 11.900 8.753 -2.466
371 HB2 LYS 29 1HB LYS 29 11.131 5.888 -3.167
372 HB3 LYS 29 2HB LYS 29 11.827 6.401 -1.625
373 HG2 LYS 29 1HG LYS 29 9.169 7.405 -2.723
374 HG3 LYS 29 2HG LYS 29 9.328 6.061 -1.587
375 HD2 LYS 29 1HD LYS 29 10.205 7.479 0.140
376 HD3 LYS 29 2HD LYS 29 10.429 8.834 -0.978
377 HE2 LYS 29 1HE LYS 29 7.709 7.657 -0.326
378 HE3 LYS 29 2HE LYS 29 8.429 9.037 0.535
379 HZ1 LYS 29 3HZ LYS 29 7.775 8.929 -2.360
380 HZ2 LYS 29 1HZ LYS 29 8.610 10.158 -1.650
381 HZ3 LYS 29 2HZ LYS 29 7.043 9.863 -1.214
382 H THR 30 H THR 30 13.856 9.427 -3.061
383 HA THR 30 HA THR 30 15.625 7.677 -4.679
384 HB THR 30 HB THR 30 17.029 9.854 -4.649
385 HG1 THR 30 HG1 THR 30 16.055 10.802 -2.825
386 HG21 THR 30 1HG2 THR 30 15.480 9.259 -6.584
387 HG22 THR 30 2HG2 THR 30 15.583 11.003 -6.298
388 HG23 THR 30 3HG2 THR 30 14.159 10.108 -5.753
389 HXT THR 30 H02 THR 30 17.851 7.072 -2.284
Start of MODEL 46
1 H1 GLY 1 3H0 GLY 1 2.146 -1.928 -1.667
2 H2 GLY 1 2H0 GLY 1 1.533 -1.838 -0.138
3 H3 GLY 1 1H0 GLY 1 0.546 -2.228 -1.401
4 HA2 GLY 1 1HA GLY 1 0.188 0.045 -0.703
5 HA3 GLY 1 2HA GLY 1 1.904 0.357 -1.029
6 H ILE 2 H ILE 2 0.161 1.970 -2.341
7 HA ILE 2 HA ILE 2 -0.970 0.909 -4.706
8 HB ILE 2 HB ILE 2 -1.577 3.075 -3.610
9 HG12 ILE 2 1HG1 ILE 2 -0.886 3.250 -6.560
10 HG13 ILE 2 2HG1 ILE 2 -2.293 2.431 -5.885
11 HG21 ILE 2 1HG2 ILE 2 0.854 4.292 -5.011
12 HG22 ILE 2 2HG2 ILE 2 -0.305 5.108 -3.945
13 HG23 ILE 2 3HG2 ILE 2 0.815 3.911 -3.274
14 HD11 ILE 2 3HD1 ILE 2 -1.703 5.415 -5.821
15 HD12 ILE 2 1HD1 ILE 2 -2.978 4.575 -6.718
16 HD13 ILE 2 2HD1 ILE 2 -3.051 4.636 -4.944
17 H VAL 3 H VAL 3 2.303 2.271 -4.202
18 HA VAL 3 HA VAL 3 2.896 2.308 -6.994
19 HB VAL 3 HB VAL 3 4.147 3.650 -5.351
20 HG11 VAL 3 1HG1 VAL 3 5.826 2.689 -3.880
21 HG12 VAL 3 2HG1 VAL 3 4.239 1.993 -3.505
22 HG13 VAL 3 3HG1 VAL 3 5.432 1.050 -4.433
23 HG21 VAL 3 3HG2 VAL 3 5.933 1.699 -6.868
24 HG22 VAL 3 1HG2 VAL 3 5.144 3.137 -7.555
25 HG23 VAL 3 2HG2 VAL 3 6.387 3.322 -6.297
26 H GLU 4 H GLU 4 3.171 -0.260 -4.532
27 HA GLU 4 HA GLU 4 4.608 -2.045 -6.298
28 HB2 GLU 4 1HB GLU 4 2.843 -2.572 -3.879
29 HB3 GLU 4 2HB GLU 4 3.660 -3.838 -4.793
30 HG2 GLU 4 1HG GLU 4 5.114 -3.467 -3.054
31 HG3 GLU 4 2HG GLU 4 5.809 -2.527 -4.383
32 HE2 GLU 4 HE2 GLU 4 6.813 -1.496 -2.797
33 H GLN 5 H GLN 5 1.166 -1.414 -5.592
34 HA GLN 5 HA GLN 5 0.088 -3.599 -6.998
35 HB2 GLN 5 1HB GLN 5 -1.090 -1.854 -5.521
36 HB3 GLN 5 2HB GLN 5 -1.112 -0.808 -6.940
37 HG2 GLN 5 1HG GLN 5 -3.235 -1.875 -6.829
38 HG3 GLN 5 2HG GLN 5 -2.357 -2.639 -8.165
39 HE21 GLN 5 2HE2 GLN 5 -3.015 -4.706 -8.213
40 HE22 GLN 5 1HE2 GLN 5 -3.064 -5.769 -6.825
41 H CYS 6 H CYS 6 1.011 -0.330 -8.170
42 HA CYS 6 HA CYS 6 0.135 -1.008 -10.869
43 HB2 CYS 6 1HB CYS 6 1.825 1.322 -9.906
44 HB3 CYS 6 2HB CYS 6 1.042 1.176 -11.481
45 H CYS 7 H CYS 7 3.187 -1.120 -9.102
46 HA CYS 7 HA CYS 7 4.837 -1.311 -11.440
47 HB2 CYS 7 1HB CYS 7 5.572 -0.706 -9.098
48 HB3 CYS 7 2HB CYS 7 5.396 -2.408 -8.663
49 H THR 8 H THR 8 3.520 -3.777 -9.164
50 HA THR 8 HA THR 8 4.635 -5.900 -10.850
51 HB THR 8 HB THR 8 4.679 -5.867 -8.290
52 HG1 THR 8 HG1 THR 8 3.745 -8.090 -9.805
53 HG21 THR 8 1HG2 THR 8 2.101 -5.445 -8.168
54 HG22 THR 8 2HG2 THR 8 2.841 -6.600 -7.045
55 HG23 THR 8 3HG2 THR 8 1.968 -7.188 -8.481
56 H SER 9 H SER 9 1.525 -4.338 -10.600
57 HA SER 9 HA SER 9 0.514 -6.427 -12.444
58 HB2 SER 9 1HB SER 9 -1.547 -6.758 -11.252
59 HB3 SER 9 2HB SER 9 -0.248 -6.952 -10.062
60 HG SER 9 HG SER 9 -0.692 -4.537 -9.726
61 H ILE 10 H ILE 10 -2.117 -5.447 -12.786
62 HA ILE 10 HA ILE 10 -1.312 -3.045 -14.340
63 HB ILE 10 HB ILE 10 -3.834 -4.739 -14.654
64 HG12 ILE 10 1HG1 ILE 10 -1.796 -6.121 -15.028
65 HG13 ILE 10 2HG1 ILE 10 -2.818 -5.938 -16.446
66 HG21 ILE 10 1HG2 ILE 10 -2.504 -2.643 -16.442
67 HG22 ILE 10 2HG2 ILE 10 -3.865 -3.682 -16.948
68 HG23 ILE 10 3HG2 ILE 10 -4.081 -2.517 -15.628
69 HD11 ILE 10 3HD1 ILE 10 -1.286 -4.427 -17.480
70 HD12 ILE 10 1HD1 ILE 10 -0.324 -4.279 -15.999
71 HD13 ILE 10 2HD1 ILE 10 -0.356 -5.812 -16.894
72 H CYS 11 H CYS 11 -1.698 -1.174 -13.267
73 HA CYS 11 HA CYS 11 -4.032 -0.899 -11.509
74 HB2 CYS 11 1HB CYS 11 -1.772 0.887 -12.395
75 HB3 CYS 11 2HB CYS 11 -3.242 1.612 -11.727
76 H SER 12 H SER 12 -5.989 -0.213 -12.093
77 HA SER 12 HA SER 12 -6.525 0.497 -14.894
78 HB2 SER 12 1HB SER 12 -8.857 0.622 -14.161
79 HB3 SER 12 2HB SER 12 -8.119 -0.865 -13.529
80 HG SER 12 HG SER 12 -9.117 0.014 -11.808
81 H LEU 13 H LEU 13 -7.888 2.576 -15.253
82 HA LEU 13 HA LEU 13 -6.324 4.807 -14.496
83 HB2 LEU 13 1HB LEU 13 -7.945 6.162 -15.571
84 HB3 LEU 13 2HB LEU 13 -7.785 4.676 -16.489
85 HG LEU 13 HG LEU 13 -9.948 4.054 -14.938
86 HD11 LEU 13 1HD1 LEU 13 -10.060 6.298 -13.917
87 HD12 LEU 13 2HD1 LEU 13 -11.458 6.018 -14.967
88 HD13 LEU 13 3HD1 LEU 13 -10.121 7.044 -15.532
89 HD21 LEU 13 3HD2 LEU 13 -11.288 4.547 -16.936
90 HD22 LEU 13 1HD2 LEU 13 -9.744 3.790 -17.373
91 HD23 LEU 13 2HD2 LEU 13 -9.965 5.545 -17.588
92 H TYR 14 H TYR 14 -9.115 3.344 -12.904
93 HA TYR 14 HA TYR 14 -9.740 5.556 -11.209
94 HB2 TYR 14 1HB TYR 14 -10.106 2.617 -10.581
95 HB3 TYR 14 2HB TYR 14 -11.064 3.979 -9.987
96 HD1 TYR 14 HD2 TYR 14 -12.372 5.363 -11.813
97 HD2 TYR 14 HD1 TYR 14 -10.768 1.427 -12.493
98 HE1 TYR 14 HE2 TYR 14 -13.908 5.066 -13.758
99 HE2 TYR 14 HE1 TYR 14 -12.291 1.152 -14.459
100 HH TYR 14 HH TYR 14 -14.614 3.672 -15.434
101 H GLN 15 H GLN 15 -7.500 2.818 -10.917
102 HA GLN 15 HA GLN 15 -6.754 3.367 -8.172
103 HB2 GLN 15 1HB GLN 15 -5.253 1.913 -10.373
104 HB3 GLN 15 2HB GLN 15 -4.852 1.911 -8.649
105 HG2 GLN 15 1HG GLN 15 -7.390 1.142 -8.444
106 HG3 GLN 15 2HG GLN 15 -7.089 0.557 -10.086
107 HE21 GLN 15 2HE2 GLN 15 -6.728 0.003 -6.774
108 HE22 GLN 15 1HE2 GLN 15 -5.652 -1.360 -6.872
109 H LEU 16 H LEU 16 -5.598 4.321 -11.392
110 HA LEU 16 HA LEU 16 -3.269 5.707 -10.508
111 HB2 LEU 16 1HB LEU 16 -4.950 5.976 -13.003
112 HB3 LEU 16 2HB LEU 16 -3.448 6.856 -12.747
113 HG LEU 16 HG LEU 16 -3.662 3.825 -12.739
114 HD11 LEU 16 1HD1 LEU 16 -4.192 4.748 -14.958
115 HD12 LEU 16 2HD1 LEU 16 -2.633 3.911 -14.958
116 HD13 LEU 16 3HD1 LEU 16 -2.682 5.690 -14.931
117 HD21 LEU 16 3HD2 LEU 16 -1.739 4.623 -11.457
118 HD22 LEU 16 1HD2 LEU 16 -1.263 5.700 -12.792
119 HD23 LEU 16 2HD2 LEU 16 -1.191 3.935 -12.990
120 H GLU 17 H GLU 17 -6.655 6.779 -10.754
121 HA GLU 17 HA GLU 17 -6.216 9.573 -10.571
122 HB2 GLU 17 1HB GLU 17 -8.442 7.794 -9.548
123 HB3 GLU 17 2HB GLU 17 -8.476 9.546 -9.351
124 HG2 GLU 17 1HG GLU 17 -8.407 9.869 -11.756
125 HG3 GLU 17 2HG GLU 17 -8.273 8.132 -12.016
126 HE2 GLU 17 HE2 GLU 17 -11.739 9.749 -11.098
127 H ASN 18 H ASN 18 -5.689 7.156 -8.091
128 HA ASN 18 HA ASN 18 -5.951 8.919 -5.828
129 HB2 ASN 18 1HB ASN 18 -4.415 6.355 -6.259
130 HB3 ASN 18 2HB ASN 18 -4.465 7.199 -4.707
131 HD21 ASN 18 2HD2 ASN 18 -6.071 5.076 -6.844
132 HD22 ASN 18 1HD2 ASN 18 -7.529 4.875 -5.892
133 H TYR 19 H TYR 19 -3.399 8.476 -8.211
134 HA TYR 19 HA TYR 19 -1.306 9.770 -6.591
135 HB2 TYR 19 1HB TYR 19 -1.570 9.077 -9.518
136 HB3 TYR 19 2HB TYR 19 -0.141 9.815 -8.833
137 HD1 TYR 19 HD1 TYR 19 1.353 8.578 -7.331
138 HD2 TYR 19 HD2 TYR 19 -2.002 6.689 -9.232
139 HE1 TYR 19 HE1 TYR 19 2.359 6.348 -6.908
140 HE2 TYR 19 HE2 TYR 19 -0.987 4.455 -8.804
141 HH TYR 19 HH TYR 19 2.196 4.110 -7.237
142 H CYS 20 H CYS 20 -4.069 10.931 -8.155
143 HA CYS 20 HA CYS 20 -2.916 13.016 -9.757
144 HB2 CYS 20 1HB CYS 20 -5.292 11.801 -9.730
145 HB3 CYS 20 2HB CYS 20 -5.727 13.215 -8.767
146 H ASN 21 H ASN 21 -3.243 15.310 -9.536
147 HA ASN 21 HA ASN 21 -2.428 16.290 -6.932
148 HB2 ASN 21 1HB ASN 21 -1.684 17.394 -9.043
149 HB3 ASN 21 2HB ASN 21 -3.358 17.798 -9.430
150 HD21 ASN 21 2HD2 ASN 21 -3.544 19.909 -9.238
151 HD22 ASN 21 1HD2 ASN 21 -3.044 20.825 -7.836
152 HXT ASN 21 H02 ASN 21 -5.292 17.046 -5.477
153 H1 PHE 1 3H0 PHE 1 -7.795 3.766 -23.197
154 H2 PHE 1 2H0 PHE 1 -6.954 2.997 -24.389
155 H3 PHE 1 1H0 PHE 1 -8.062 2.165 -23.497
156 HA PHE 1 HA PHE 1 -5.540 3.305 -22.488
157 HB2 PHE 1 1HB PHE 1 -7.632 3.239 -20.961
158 HB3 PHE 1 2HB PHE 1 -7.461 1.481 -21.010
159 HD1 PHE 1 HD1 PHE 1 -5.818 4.663 -19.964
160 HD2 PHE 1 HD2 PHE 1 -5.777 0.361 -19.685
161 HE1 PHE 1 HE1 PHE 1 -4.169 4.802 -18.102
162 HE2 PHE 1 HE2 PHE 1 -4.128 0.497 -17.821
163 HZ PHE 1 HZ PHE 1 -3.320 2.719 -17.031
164 H VAL 2 H VAL 2 -3.957 1.598 -21.860
165 HA VAL 2 HA VAL 2 -4.445 -1.007 -23.253
166 HB VAL 2 HB VAL 2 -1.862 0.651 -23.340
167 HG11 VAL 2 1HG1 VAL 2 -2.530 -2.073 -24.552
168 HG12 VAL 2 2HG1 VAL 2 -1.053 -1.142 -24.887
169 HG13 VAL 2 3HG1 VAL 2 -1.358 -1.749 -23.250
170 HG21 VAL 2 3HG2 VAL 2 -3.494 1.599 -24.887
171 HG22 VAL 2 1HG2 VAL 2 -2.269 0.716 -25.816
172 HG23 VAL 2 2HG2 VAL 2 -3.869 -0.015 -25.541
173 H ASN 3 H ASN 3 -3.876 -2.739 -21.969
174 HA ASN 3 HA ASN 3 -3.145 -2.238 -19.216
175 HB2 ASN 3 1HB ASN 3 -2.692 -4.755 -19.211
176 HB3 ASN 3 2HB ASN 3 -4.365 -4.253 -19.558
177 HD21 ASN 3 2HD2 ASN 3 -2.044 -6.382 -20.451
178 HD22 ASN 3 1HD2 ASN 3 -2.528 -6.669 -22.101
179 H GLN 4 H GLN 4 -1.244 -1.912 -18.374
180 HA GLN 4 HA GLN 4 1.100 -3.358 -19.304
181 HB2 GLN 4 1HB GLN 4 2.440 -1.256 -19.640
182 HB3 GLN 4 2HB GLN 4 1.216 -1.514 -20.891
183 HG2 GLN 4 1HG GLN 4 -0.290 0.078 -19.669
184 HG3 GLN 4 2HG GLN 4 1.039 0.416 -18.568
185 HE21 GLN 4 2HE2 GLN 4 -0.446 1.142 -21.520
186 HE22 GLN 4 1HE2 GLN 4 0.773 2.238 -22.134
187 H HIS 5 H HIS 5 2.517 -3.521 -17.576
188 HA HIS 5 HA HIS 5 1.664 -2.532 -14.972
189 HB2 HIS 5 1HB HIS 5 4.361 -3.622 -15.874
190 HB3 HIS 5 2HB HIS 5 3.852 -3.355 -14.204
191 HD1 HIS 5 HD1 HIS 5 1.158 -4.613 -14.002
192 HD2 HIS 5 HD2 HIS 5 4.204 -6.317 -16.224
193 HE1 HIS 5 HE1 HIS 5 0.589 -7.098 -14.286
194 HE2 HIS 5 HE2 HIS 5 2.480 -8.111 -15.609
195 H LEU 6 H LEU 6 2.546 -0.819 -13.779
196 HA LEU 6 HA LEU 6 4.054 1.202 -15.423
197 HB2 LEU 6 1HB LEU 6 1.677 1.599 -13.576
198 HB3 LEU 6 2HB LEU 6 2.584 2.887 -14.347
199 HG LEU 6 HG LEU 6 1.010 0.790 -15.864
200 HD11 LEU 6 1HD1 LEU 6 -0.686 2.550 -16.149
201 HD12 LEU 6 2HD1 LEU 6 0.235 3.604 -15.051
202 HD13 LEU 6 3HD1 LEU 6 -0.478 2.088 -14.450
203 HD21 LEU 6 3HD2 LEU 6 2.694 1.775 -17.277
204 HD22 LEU 6 1HD2 LEU 6 2.295 3.409 -16.689
205 HD23 LEU 6 2HD2 LEU 6 1.141 2.521 -17.693
206 H CYS 7 H CYS 7 6.017 1.239 -14.401
207 HA CYS 7 HA CYS 7 5.960 1.510 -11.420
208 HB2 CYS 7 1HB CYS 7 6.715 -0.737 -12.465
209 HB3 CYS 7 2HB CYS 7 8.192 0.122 -12.909
210 H GLY 8 H GLY 8 8.223 1.924 -14.193
211 HA2 GLY 8 1HA GLY 8 9.559 4.125 -12.786
212 HA3 GLY 8 2HA GLY 8 9.991 3.444 -14.363
213 H SER 9 H SER 9 10.089 5.257 -15.618
214 HA SER 9 HA SER 9 8.485 7.536 -15.507
215 HB2 SER 9 1HB SER 9 9.143 6.891 -18.238
216 HB3 SER 9 2HB SER 9 9.912 8.072 -17.146
217 HG SER 9 HG SER 9 11.441 6.531 -17.702
218 H HIS 10 H HIS 10 7.647 4.411 -16.852
219 HA HIS 10 HA HIS 10 5.512 5.149 -18.563
220 HB2 HIS 10 1HB HIS 10 6.269 2.736 -16.969
221 HB3 HIS 10 2HB HIS 10 4.603 2.843 -17.531
222 HD1 HIS 10 HD1 HIS 10 4.088 2.363 -19.986
223 HD2 HIS 10 HD2 HIS 10 8.195 2.647 -19.145
224 HE1 HIS 10 HE1 HIS 10 5.321 1.634 -22.069
225 HE2 HIS 10 HE2 HIS 10 7.799 1.817 -21.568
226 H LEU 11 H LEU 11 5.602 4.860 -15.004
227 HA LEU 11 HA LEU 11 2.750 4.946 -14.657
228 HB2 LEU 11 1HB LEU 11 4.407 4.180 -12.964
229 HB3 LEU 11 2HB LEU 11 5.007 5.823 -12.821
230 HG LEU 11 HG LEU 11 2.889 6.548 -11.827
231 HD11 LEU 11 1HD1 LEU 11 1.320 4.980 -12.886
232 HD12 LEU 11 2HD1 LEU 11 1.206 4.888 -11.121
233 HD13 LEU 11 3HD1 LEU 11 2.074 3.618 -12.016
234 HD21 LEU 11 3HD2 LEU 11 4.031 4.041 -10.523
235 HD22 LEU 11 1HD2 LEU 11 3.180 5.375 -9.704
236 HD23 LEU 11 2HD2 LEU 11 4.763 5.662 -10.458
237 H VAL 12 H VAL 12 5.298 7.421 -14.758
238 HA VAL 12 HA VAL 12 3.622 9.663 -14.186
239 HB VAL 12 HB VAL 12 6.213 9.496 -15.812
240 HG11 VAL 12 1HG1 VAL 12 6.528 11.847 -15.281
241 HG12 VAL 12 2HG1 VAL 12 4.991 11.624 -16.138
242 HG13 VAL 12 3HG1 VAL 12 4.999 11.877 -14.380
243 HG21 VAL 12 3HG2 VAL 12 6.557 8.556 -13.588
244 HG22 VAL 12 1HG2 VAL 12 7.306 10.160 -13.652
245 HG23 VAL 12 2HG2 VAL 12 5.742 9.945 -12.832
246 H GLU 13 H GLU 13 4.629 8.096 -17.241
247 HA GLU 13 HA GLU 13 3.404 9.979 -19.006
248 HB2 GLU 13 1HB GLU 13 4.047 7.028 -19.268
249 HB3 GLU 13 2HB GLU 13 3.448 8.002 -20.613
250 HG2 GLU 13 1HG GLU 13 5.406 9.380 -20.617
251 HG3 GLU 13 2HG GLU 13 5.959 8.724 -19.074
252 HE2 GLU 13 HE2 GLU 13 7.262 8.856 -21.396
253 H ALA 14 H ALA 14 2.145 7.124 -17.313
254 HA ALA 14 HA ALA 14 -0.371 7.083 -18.757
255 HB1 ALA 14 3HB ALA 14 0.554 5.107 -17.606
256 HB2 ALA 14 1HB ALA 14 0.396 5.937 -16.041
257 HB3 ALA 14 2HB ALA 14 -1.060 5.522 -16.980
258 H LEU 15 H LEU 15 0.791 8.546 -15.723
259 HA LEU 15 HA LEU 15 -1.788 9.370 -14.824
260 HB2 LEU 15 1HB LEU 15 1.029 10.257 -14.216
261 HB3 LEU 15 2HB LEU 15 -0.368 11.025 -13.463
262 HG LEU 15 HG LEU 15 0.154 8.047 -13.292
263 HD11 LEU 15 1HD1 LEU 15 0.834 10.189 -11.252
264 HD12 LEU 15 2HD1 LEU 15 2.012 9.299 -12.246
265 HD13 LEU 15 3HD1 LEU 15 1.024 8.432 -11.051
266 HD21 LEU 15 3HD2 LEU 15 -1.432 8.166 -11.450
267 HD22 LEU 15 1HD2 LEU 15 -2.169 8.768 -12.935
268 HD23 LEU 15 2HD2 LEU 15 -1.615 9.919 -11.700
269 H TYR 16 H TYR 16 0.458 10.867 -17.111
270 HA TYR 16 HA TYR 16 -0.747 13.465 -17.109
271 HB2 TYR 16 1HB TYR 16 0.767 11.844 -19.155
272 HB3 TYR 16 2HB TYR 16 -0.054 13.330 -19.642
273 HD1 TYR 16 HD2 TYR 16 0.440 15.486 -18.232
274 HD2 TYR 16 HD1 TYR 16 2.978 12.011 -18.284
275 HE1 TYR 16 HE2 TYR 16 2.355 16.863 -17.417
276 HE2 TYR 16 HE1 TYR 16 4.896 13.411 -17.505
277 HH TYR 16 HH TYR 16 4.562 16.888 -16.818
278 H LEU 17 H LEU 17 -1.689 10.406 -18.684
279 HA LEU 17 HA LEU 17 -3.773 11.648 -20.264
280 HB2 LEU 17 1HB LEU 17 -3.513 8.786 -19.300
281 HB3 LEU 17 2HB LEU 17 -4.602 9.373 -20.545
282 HG LEU 17 HG LEU 17 -1.570 9.428 -20.753
283 HD11 LEU 17 1HD1 LEU 17 -1.826 7.476 -22.228
284 HD12 LEU 17 2HD1 LEU 17 -3.578 7.456 -21.918
285 HD13 LEU 17 3HD1 LEU 17 -2.431 7.125 -20.596
286 HD21 LEU 17 3HD2 LEU 17 -2.640 11.092 -22.200
287 HD22 LEU 17 1HD2 LEU 17 -3.756 9.858 -22.834
288 HD23 LEU 17 2HD2 LEU 17 -2.013 9.750 -23.177
289 H VAL 18 H VAL 18 -3.676 9.973 -17.122
290 HA VAL 18 HA VAL 18 -6.544 9.895 -16.848
291 HB VAL 18 HB VAL 18 -4.332 9.568 -14.754
292 HG11 VAL 18 1HG1 VAL 18 -7.288 8.814 -14.649
293 HG12 VAL 18 2HG1 VAL 18 -6.062 8.312 -13.458
294 HG13 VAL 18 3HG1 VAL 18 -6.464 10.030 -13.644
295 HG21 VAL 18 3HG2 VAL 18 -5.854 7.537 -16.453
296 HG22 VAL 18 1HG2 VAL 18 -4.118 7.912 -16.544
297 HG23 VAL 18 2HG2 VAL 18 -4.777 7.124 -15.104
298 H CYS 19 H CYS 19 -4.001 12.055 -15.554
299 HA CYS 19 HA CYS 19 -6.061 13.638 -14.163
300 HB2 CYS 19 1HB CYS 19 -3.047 13.824 -14.333
301 HB3 CYS 19 2HB CYS 19 -4.061 14.970 -13.438
302 H GLY 20 H GLY 20 -4.582 13.638 -17.290
303 HA2 GLY 20 1HA GLY 20 -4.632 15.227 -18.955
304 HA3 GLY 20 2HA GLY 20 -6.111 15.802 -18.173
305 H GLU 21 H GLU 21 -5.965 17.907 -18.312
306 HA GLU 21 HA GLU 21 -3.528 19.401 -18.011
307 HB2 GLU 21 1HB GLU 21 -6.411 20.364 -17.839
308 HB3 GLU 21 2HB GLU 21 -4.986 21.348 -18.159
309 HG2 GLU 21 1HG GLU 21 -5.744 21.116 -20.303
310 HG3 GLU 21 2HG GLU 21 -4.703 19.690 -20.234
311 HE2 GLU 21 HE2 GLU 21 -7.930 18.831 -21.574
312 H ARG 22 H ARG 22 -5.516 18.012 -15.580
313 HA ARG 22 HA ARG 22 -5.329 20.252 -13.698
314 HB2 ARG 22 1HB ARG 22 -6.154 17.356 -13.315
315 HB3 ARG 22 2HB ARG 22 -6.141 18.563 -12.034
316 HG2 ARG 22 1HG ARG 22 -8.347 18.714 -12.631
317 HG3 ARG 22 2HG ARG 22 -7.672 19.948 -13.704
318 HD2 ARG 22 1HD ARG 22 -9.254 18.540 -14.927
319 HD3 ARG 22 2HD ARG 22 -7.615 18.272 -15.551
320 HE ARG 22 HE ARG 22 -8.186 16.406 -13.467
321 HH11 ARG 22 1HH1 ARG 22 -8.941 16.979 -16.870
322 HH12 ARG 22 2HH1 ARG 22 -9.197 15.285 -17.186
323 HH21 ARG 22 1HH2 ARG 22 -8.546 14.276 -13.945
324 HH22 ARG 22 2HH2 ARG 22 -8.958 13.777 -15.561
325 H GLY 23 H GLY 23 -3.294 17.646 -14.664
326 HA2 GLY 23 1HA GLY 23 -1.084 17.316 -14.060
327 HA3 GLY 23 2HA GLY 23 -1.233 18.600 -12.855
328 H PHE 24 H PHE 24 0.274 16.618 -12.113
329 HA PHE 24 HA PHE 24 -1.133 15.345 -9.902
330 HB2 PHE 24 1HB PHE 24 -0.508 13.065 -10.507
331 HB3 PHE 24 2HB PHE 24 -1.584 13.735 -11.728
332 HD1 PHE 24 HD1 PHE 24 -0.735 14.396 -13.950
333 HD2 PHE 24 HD2 PHE 24 1.771 12.494 -11.026
334 HE1 PHE 24 HE1 PHE 24 0.933 13.901 -15.706
335 HE2 PHE 24 HE2 PHE 24 3.432 11.966 -12.783
336 HZ PHE 24 HZ PHE 24 3.017 12.683 -15.147
337 H PHE 25 H PHE 25 0.727 13.896 -8.815
338 HA PHE 25 HA PHE 25 3.353 15.228 -9.285
339 HB2 PHE 25 1HB PHE 25 3.660 15.422 -6.852
340 HB3 PHE 25 2HB PHE 25 2.270 16.372 -7.390
341 HD1 PHE 25 HD1 PHE 25 -0.039 15.661 -6.842
342 HD2 PHE 25 HD2 PHE 25 3.382 13.480 -5.407
343 HE1 PHE 25 HE1 PHE 25 -1.492 14.470 -5.213
344 HE2 PHE 25 HE2 PHE 25 1.936 12.289 -3.764
345 HZ PHE 25 HZ PHE 25 -0.510 12.773 -3.678
346 H TYR 26 H TYR 26 5.112 13.961 -8.203
347 HA TYR 26 HA TYR 26 4.413 11.130 -7.652
348 HB2 TYR 26 1HB TYR 26 5.074 11.170 -10.035
349 HB3 TYR 26 2HB TYR 26 6.573 12.013 -9.603
350 HD1 TYR 26 HD2 TYR 26 4.712 8.809 -9.320
351 HD2 TYR 26 HD1 TYR 26 8.429 10.831 -8.545
352 HE1 TYR 26 HE2 TYR 26 5.796 6.634 -8.816
353 HE2 TYR 26 HE1 TYR 26 9.512 8.650 -8.043
354 HH TYR 26 HH TYR 26 7.805 5.544 -8.490
355 H THR 27 H THR 27 5.490 10.485 -5.868
356 HA THR 27 HA THR 27 7.355 12.392 -4.649
357 HB THR 27 HB THR 27 7.224 10.809 -2.707
358 HG1 THR 27 HG1 THR 27 6.794 8.962 -4.095
359 HG21 THR 27 1HG2 THR 27 4.897 11.262 -2.153
360 HG22 THR 27 2HG2 THR 27 4.493 11.520 -3.863
361 HG23 THR 27 3HG2 THR 27 5.560 12.668 -3.015
362 HA PRO 28 HA PRO 28 10.627 9.718 -6.291
363 HB2 PRO 28 1HB PRO 28 12.767 11.311 -5.785
364 HB3 PRO 28 2HB PRO 28 11.631 11.677 -7.123
365 HG2 PRO 28 1HG PRO 28 11.678 12.784 -4.327
366 HG3 PRO 28 2HG PRO 28 11.642 13.666 -5.888
367 HD2 PRO 28 1HD PRO 28 9.387 13.195 -4.471
368 HD3 PRO 28 2HD PRO 28 9.397 13.131 -6.270
369 H LYS 29 H LYS 29 12.740 8.868 -5.215
370 HA LYS 29 HA LYS 29 12.811 9.077 -2.298
371 HB2 LYS 29 1HB LYS 29 12.776 6.601 -2.032
372 HB3 LYS 29 2HB LYS 29 11.214 7.290 -2.415
373 HG2 LYS 29 1HG LYS 29 12.963 6.051 -4.585
374 HG3 LYS 29 2HG LYS 29 11.958 5.044 -3.545
375 HD2 LYS 29 1HD LYS 29 10.895 7.254 -5.363
376 HD3 LYS 29 2HD LYS 29 10.869 5.531 -5.726
377 HE2 LYS 29 1HE LYS 29 9.386 5.109 -3.820
378 HE3 LYS 29 2HE LYS 29 9.468 6.823 -3.349
379 HZ1 LYS 29 3HZ LYS 29 8.384 7.447 -5.340
380 HZ2 LYS 29 1HZ LYS 29 7.481 6.243 -4.665
381 HZ3 LYS 29 2HZ LYS 29 8.446 5.921 -5.968
382 H THR 30 H THR 30 14.831 8.441 -1.530
383 HA THR 30 HA THR 30 16.891 7.791 -3.597
384 HB THR 30 HB THR 30 18.435 9.408 -2.403
385 HG1 THR 30 HG1 THR 30 17.255 10.993 -1.090
386 HG21 THR 30 1HG2 THR 30 17.530 11.456 -3.417
387 HG22 THR 30 2HG2 THR 30 15.886 10.798 -3.439
388 HG23 THR 30 3HG2 THR 30 17.132 10.113 -4.500
389 HXT THR 30 H02 THR 30 16.916 8.422 -0.352
Start of MODEL 47
1 H1 GLY 1 3H0 GLY 1 2.766 -2.024 -1.322
2 H2 GLY 1 2H0 GLY 1 4.112 -2.213 -2.254
3 H3 GLY 1 1H0 GLY 1 4.241 -2.230 -0.610
4 HA2 GLY 1 1HA GLY 1 3.628 0.070 -0.444
5 HA3 GLY 1 2HA GLY 1 5.024 -0.123 -1.521
6 H ILE 2 H ILE 2 3.132 2.159 -1.604
7 HA ILE 2 HA ILE 2 1.018 1.597 -3.388
8 HB ILE 2 HB ILE 2 1.063 3.552 -1.884
9 HG12 ILE 2 1HG1 ILE 2 0.814 4.350 -4.793
10 HG13 ILE 2 2HG1 ILE 2 -0.398 3.434 -3.903
11 HG21 ILE 2 1HG2 ILE 2 2.396 5.524 -2.259
12 HG22 ILE 2 2HG2 ILE 2 3.519 4.160 -2.256
13 HG23 ILE 2 3HG2 ILE 2 3.026 4.906 -3.797
14 HD11 ILE 2 3HD1 ILE 2 0.464 6.311 -3.365
15 HD12 ILE 2 1HD1 ILE 2 -1.083 5.764 -4.041
16 HD13 ILE 2 2HD1 ILE 2 -0.675 5.389 -2.350
17 H VAL 3 H VAL 3 4.311 2.793 -4.169
18 HA VAL 3 HA VAL 3 3.715 3.033 -6.987
19 HB VAL 3 HB VAL 3 6.435 2.614 -5.663
20 HG11 VAL 3 1HG1 VAL 3 5.683 4.020 -8.268
21 HG12 VAL 3 2HG1 VAL 3 7.326 3.778 -7.624
22 HG13 VAL 3 3HG1 VAL 3 6.370 2.383 -8.164
23 HG21 VAL 3 3HG2 VAL 3 6.573 5.126 -5.633
24 HG22 VAL 3 1HG2 VAL 3 4.853 5.186 -6.082
25 HG23 VAL 3 2HG2 VAL 3 5.349 4.473 -4.526
26 H GLU 4 H GLU 4 5.116 0.570 -4.886
27 HA GLU 4 HA GLU 4 6.043 -1.263 -6.809
28 HB2 GLU 4 1HB GLU 4 6.463 -1.247 -4.327
29 HB3 GLU 4 2HB GLU 4 4.818 -1.834 -4.096
30 HG2 GLU 4 1HG GLU 4 5.405 -3.874 -5.407
31 HG3 GLU 4 2HG GLU 4 7.078 -3.295 -5.473
32 HE2 GLU 4 HE2 GLU 4 7.164 -5.400 -2.734
33 H GLN 5 H GLN 5 2.802 -0.903 -5.319
34 HA GLN 5 HA GLN 5 1.663 -3.254 -6.415
35 HB2 GLN 5 1HB GLN 5 0.818 -0.888 -4.996
36 HB3 GLN 5 2HB GLN 5 -0.315 -1.205 -6.309
37 HG2 GLN 5 1HG GLN 5 -1.021 -2.288 -4.216
38 HG3 GLN 5 2HG GLN 5 -0.700 -3.469 -5.492
39 HE21 GLN 5 2HE2 GLN 5 0.003 -5.253 -4.530
40 HE22 GLN 5 1HE2 GLN 5 1.273 -5.330 -3.336
41 H CYS 6 H CYS 6 1.981 0.042 -7.796
42 HA CYS 6 HA CYS 6 0.439 -0.675 -10.154
43 HB2 CYS 6 1HB CYS 6 1.126 1.675 -8.971
44 HB3 CYS 6 2HB CYS 6 2.324 1.619 -10.274
45 H CYS 7 H CYS 7 3.820 -0.809 -9.213
46 HA CYS 7 HA CYS 7 4.864 -1.148 -11.877
47 HB2 CYS 7 1HB CYS 7 5.926 -1.948 -9.148
48 HB3 CYS 7 2HB CYS 7 6.821 -2.181 -10.651
49 H THR 8 H THR 8 3.753 -3.411 -9.316
50 HA THR 8 HA THR 8 4.448 -5.700 -11.017
51 HB THR 8 HB THR 8 4.839 -5.655 -8.516
52 HG1 THR 8 HG1 THR 8 4.187 -7.853 -8.327
53 HG21 THR 8 1HG2 THR 8 3.065 -6.107 -6.998
54 HG22 THR 8 2HG2 THR 8 1.894 -6.339 -8.311
55 HG23 THR 8 3HG2 THR 8 2.531 -4.717 -7.961
56 H SER 9 H SER 9 1.516 -3.862 -10.350
57 HA SER 9 HA SER 9 0.073 -5.868 -12.020
58 HB2 SER 9 1HB SER 9 -0.965 -4.620 -9.431
59 HB3 SER 9 2HB SER 9 -1.906 -5.652 -10.528
60 HG SER 9 HG SER 9 0.372 -6.908 -9.991
61 H ILE 10 H ILE 10 -1.968 -4.998 -12.959
62 HA ILE 10 HA ILE 10 -1.269 -2.401 -14.106
63 HB ILE 10 HB ILE 10 -3.606 -4.316 -14.635
64 HG12 ILE 10 1HG1 ILE 10 -1.979 -3.833 -16.920
65 HG13 ILE 10 2HG1 ILE 10 -0.871 -4.112 -15.594
66 HG21 ILE 10 1HG2 ILE 10 -4.331 -2.023 -15.145
67 HG22 ILE 10 2HG2 ILE 10 -2.838 -1.728 -16.069
68 HG23 ILE 10 3HG2 ILE 10 -4.044 -2.909 -16.643
69 HD11 ILE 10 3HD1 ILE 10 -3.046 -5.978 -16.585
70 HD12 ILE 10 1HD1 ILE 10 -1.281 -6.192 -16.728
71 HD13 ILE 10 2HD1 ILE 10 -2.064 -6.275 -15.131
72 H CYS 11 H CYS 11 -1.816 -0.534 -13.236
73 HA CYS 11 HA CYS 11 -4.160 -0.311 -11.461
74 HB2 CYS 11 1HB CYS 11 -2.283 1.784 -12.628
75 HB3 CYS 11 2HB CYS 11 -3.543 2.097 -11.436
76 H SER 12 H SER 12 -6.165 0.157 -12.257
77 HA SER 12 HA SER 12 -6.525 0.744 -15.111
78 HB2 SER 12 1HB SER 12 -8.906 0.866 -14.537
79 HB3 SER 12 2HB SER 12 -8.198 -0.581 -13.786
80 HG SER 12 HG SER 12 -9.356 0.412 -12.204
81 H LEU 13 H LEU 13 -7.861 2.844 -15.612
82 HA LEU 13 HA LEU 13 -6.341 5.076 -14.768
83 HB2 LEU 13 1HB LEU 13 -7.892 6.433 -15.948
84 HB3 LEU 13 2HB LEU 13 -7.658 4.947 -16.851
85 HG LEU 13 HG LEU 13 -9.925 4.315 -15.463
86 HD11 LEU 13 1HD1 LEU 13 -10.110 6.560 -14.451
87 HD12 LEU 13 2HD1 LEU 13 -11.431 6.281 -15.598
88 HD13 LEU 13 3HD1 LEU 13 -10.056 7.308 -16.064
89 HD21 LEU 13 3HD2 LEU 13 -9.540 4.056 -17.877
90 HD22 LEU 13 1HD2 LEU 13 -9.750 5.811 -18.108
91 HD23 LEU 13 2HD2 LEU 13 -11.115 4.810 -17.555
92 H TYR 14 H TYR 14 -9.234 3.616 -13.361
93 HA TYR 14 HA TYR 14 -9.918 5.827 -11.675
94 HB2 TYR 14 1HB TYR 14 -10.422 2.890 -11.123
95 HB3 TYR 14 2HB TYR 14 -11.381 4.276 -10.584
96 HD1 TYR 14 HD1 TYR 14 -12.595 5.671 -12.416
97 HD2 TYR 14 HD2 TYR 14 -10.898 1.790 -13.166
98 HE1 TYR 14 HE1 TYR 14 -13.982 5.457 -14.482
99 HE2 TYR 14 HE2 TYR 14 -12.280 1.591 -15.240
100 HH TYR 14 HH TYR 14 -14.540 4.143 -16.275
101 H GLN 15 H GLN 15 -7.807 2.981 -11.262
102 HA GLN 15 HA GLN 15 -7.230 3.512 -8.476
103 HB2 GLN 15 1HB GLN 15 -5.643 1.993 -10.574
104 HB3 GLN 15 2HB GLN 15 -5.326 1.965 -8.838
105 HG2 GLN 15 1HG GLN 15 -7.867 0.980 -10.181
106 HG3 GLN 15 2HG GLN 15 -6.532 -0.032 -9.625
107 HE21 GLN 15 2HE2 GLN 15 -6.282 -0.439 -7.417
108 HE22 GLN 15 1HE2 GLN 15 -7.512 -0.005 -6.255
109 H LEU 16 H LEU 16 -5.815 4.394 -11.594
110 HA LEU 16 HA LEU 16 -3.491 5.688 -10.573
111 HB2 LEU 16 1HB LEU 16 -5.026 5.968 -13.143
112 HB3 LEU 16 2HB LEU 16 -3.610 6.957 -12.797
113 HG LEU 16 HG LEU 16 -3.595 3.922 -12.810
114 HD11 LEU 16 1HD1 LEU 16 -4.081 4.762 -15.042
115 HD12 LEU 16 2HD1 LEU 16 -2.435 4.110 -14.964
116 HD13 LEU 16 3HD1 LEU 16 -2.690 5.872 -14.948
117 HD21 LEU 16 3HD2 LEU 16 -1.323 5.956 -12.769
118 HD22 LEU 16 1HD2 LEU 16 -1.124 4.201 -12.953
119 HD23 LEU 16 2HD2 LEU 16 -1.778 4.860 -11.446
120 H GLU 17 H GLU 17 -6.840 6.870 -10.881
121 HA GLU 17 HA GLU 17 -6.259 9.640 -10.578
122 HB2 GLU 17 1HB GLU 17 -8.635 7.973 -9.727
123 HB3 GLU 17 2HB GLU 17 -8.546 9.712 -9.442
124 HG2 GLU 17 1HG GLU 17 -8.254 10.093 -11.863
125 HG3 GLU 17 2HG GLU 17 -8.443 8.361 -12.144
126 HE2 GLU 17 HE2 GLU 17 -11.805 8.434 -11.284
127 H ASN 18 H ASN 18 -6.057 7.061 -8.173
128 HA ASN 18 HA ASN 18 -6.212 8.741 -5.849
129 HB2 ASN 18 1HB ASN 18 -4.747 6.125 -6.334
130 HB3 ASN 18 2HB ASN 18 -4.856 6.918 -4.757
131 HD21 ASN 18 2HD2 ASN 18 -6.269 4.696 -6.799
132 HD22 ASN 18 1HD2 ASN 18 -7.830 4.585 -6.012
133 H TYR 19 H TYR 19 -3.695 8.209 -8.210
134 HA TYR 19 HA TYR 19 -1.539 9.353 -6.546
135 HB2 TYR 19 1HB TYR 19 -1.671 8.551 -9.441
136 HB3 TYR 19 2HB TYR 19 -0.213 9.043 -8.600
137 HD1 TYR 19 HD1 TYR 19 -2.876 6.422 -8.727
138 HD2 TYR 19 HD2 TYR 19 1.049 7.468 -7.349
139 HE1 TYR 19 HE1 TYR 19 -2.485 4.078 -8.100
140 HE2 TYR 19 HE2 TYR 19 1.443 5.114 -6.733
141 HH TYR 19 HH TYR 19 0.534 2.920 -6.647
142 H CYS 20 H CYS 20 -4.158 10.591 -8.240
143 HA CYS 20 HA CYS 20 -2.606 12.788 -9.525
144 HB2 CYS 20 1HB CYS 20 -3.280 11.862 -11.435
145 HB3 CYS 20 2HB CYS 20 -4.352 10.753 -10.593
146 H ASN 21 H ASN 21 -3.063 14.764 -9.043
147 HA ASN 21 HA ASN 21 -5.735 15.700 -8.509
148 HB2 ASN 21 1HB ASN 21 -4.910 14.730 -6.225
149 HB3 ASN 21 2HB ASN 21 -3.758 16.070 -6.205
150 HD21 ASN 21 2HD2 ASN 21 -5.402 16.091 -4.169
151 HD22 ASN 21 1HD2 ASN 21 -6.698 17.238 -4.374
152 HXT ASN 21 H02 ASN 21 -5.733 17.792 -8.302
153 H1 PHE 1 3H0 PHE 1 -7.433 4.983 -22.838
154 H2 PHE 1 2H0 PHE 1 -6.966 3.901 -23.995
155 H3 PHE 1 1H0 PHE 1 -8.205 3.532 -22.972
156 HA PHE 1 HA PHE 1 -5.382 3.885 -22.207
157 HB2 PHE 1 1HB PHE 1 -7.250 4.605 -20.571
158 HB3 PHE 1 2HB PHE 1 -7.662 2.890 -20.470
159 HD1 PHE 1 HD2 PHE 1 -5.085 5.455 -19.713
160 HD2 PHE 1 HD1 PHE 1 -6.248 1.332 -19.236
161 HE1 PHE 1 HE2 PHE 1 -3.320 5.160 -17.985
162 HE2 PHE 1 HE1 PHE 1 -4.487 1.035 -17.500
163 HZ PHE 1 HZ PHE 1 -3.009 2.942 -16.889
164 H VAL 2 H VAL 2 -4.288 1.860 -21.680
165 HA VAL 2 HA VAL 2 -5.743 -0.601 -22.456
166 HB VAL 2 HB VAL 2 -4.553 0.236 -24.518
167 HG11 VAL 2 1HG1 VAL 2 -1.994 -0.274 -22.945
168 HG12 VAL 2 2HG1 VAL 2 -2.117 0.205 -24.652
169 HG13 VAL 2 3HG1 VAL 2 -2.623 1.334 -23.381
170 HG21 VAL 2 3HG2 VAL 2 -3.517 -1.884 -25.112
171 HG22 VAL 2 1HG2 VAL 2 -3.358 -2.336 -23.399
172 HG23 VAL 2 2HG2 VAL 2 -4.970 -2.190 -24.140
173 H ASN 3 H ASN 3 -4.968 -2.444 -21.352
174 HA ASN 3 HA ASN 3 -3.797 -1.870 -18.800
175 HB2 ASN 3 1HB ASN 3 -3.501 -4.417 -18.717
176 HB3 ASN 3 2HB ASN 3 -5.166 -3.794 -18.829
177 HD21 ASN 3 2HD2 ASN 3 -3.125 -6.109 -19.992
178 HD22 ASN 3 1HD2 ASN 3 -3.914 -6.435 -21.514
179 H GLN 4 H GLN 4 -1.813 -1.646 -18.184
180 HA GLN 4 HA GLN 4 0.265 -3.422 -19.132
181 HB2 GLN 4 1HB GLN 4 1.832 -1.518 -19.688
182 HB3 GLN 4 2HB GLN 4 0.546 -1.751 -20.877
183 HG2 GLN 4 1HG GLN 4 -0.722 0.119 -19.865
184 HG3 GLN 4 2HG GLN 4 0.584 0.371 -18.712
185 HE21 GLN 4 2HE2 GLN 4 -0.454 0.690 -22.017
186 HE22 GLN 4 1HE2 GLN 4 0.858 1.723 -22.532
187 H HIS 5 H HIS 5 1.877 -3.470 -17.504
188 HA HIS 5 HA HIS 5 1.151 -2.334 -14.914
189 HB2 HIS 5 1HB HIS 5 3.749 -3.604 -15.866
190 HB3 HIS 5 2HB HIS 5 3.333 -3.219 -14.194
191 HD1 HIS 5 HD1 HIS 5 0.597 -4.313 -13.801
192 HD2 HIS 5 HD2 HIS 5 3.417 -6.308 -16.075
193 HE1 HIS 5 HE1 HIS 5 -0.132 -6.753 -13.911
194 HE2 HIS 5 HE2 HIS 5 1.628 -7.958 -15.262
195 H LEU 6 H LEU 6 2.198 -0.613 -13.810
196 HA LEU 6 HA LEU 6 3.612 1.268 -15.675
197 HB2 LEU 6 1HB LEU 6 1.534 1.726 -13.536
198 HB3 LEU 6 2HB LEU 6 2.589 2.988 -14.083
199 HG LEU 6 HG LEU 6 0.863 3.564 -15.321
200 HD11 LEU 6 1HD1 LEU 6 0.795 2.685 -17.603
201 HD12 LEU 6 2HD1 LEU 6 1.758 1.281 -17.111
202 HD13 LEU 6 3HD1 LEU 6 2.463 2.909 -17.060
203 HD21 LEU 6 3HD2 LEU 6 -0.070 0.686 -15.320
204 HD22 LEU 6 1HD2 LEU 6 -0.956 2.045 -16.044
205 HD23 LEU 6 2HD2 LEU 6 -0.663 2.009 -14.295
206 H CYS 7 H CYS 7 5.674 1.290 -15.140
207 HA CYS 7 HA CYS 7 6.340 2.004 -12.338
208 HB2 CYS 7 1HB CYS 7 6.638 -0.558 -13.037
209 HB3 CYS 7 2HB CYS 7 8.103 0.059 -13.807
210 H GLY 8 H GLY 8 8.390 3.168 -12.213
211 HA2 GLY 8 1HA GLY 8 9.956 4.666 -13.032
212 HA3 GLY 8 2HA GLY 8 10.003 3.678 -14.504
213 H SER 9 H SER 9 10.080 5.358 -15.982
214 HA SER 9 HA SER 9 8.477 7.673 -15.935
215 HB2 SER 9 1HB SER 9 9.009 6.802 -18.633
216 HB3 SER 9 2HB SER 9 9.788 8.100 -17.695
217 HG SER 9 HG SER 9 11.358 6.595 -18.165
218 H HIS 10 H HIS 10 7.645 4.392 -16.991
219 HA HIS 10 HA HIS 10 5.440 5.104 -18.673
220 HB2 HIS 10 1HB HIS 10 6.394 2.671 -17.285
221 HB3 HIS 10 2HB HIS 10 4.655 2.729 -17.554
222 HD1 HIS 10 HD1 HIS 10 3.788 2.191 -19.892
223 HD2 HIS 10 HD2 HIS 10 7.946 2.813 -19.765
224 HE1 HIS 10 HE1 HIS 10 4.703 1.564 -22.166
225 HE2 HIS 10 HE2 HIS 10 7.208 1.939 -22.087
226 H LEU 11 H LEU 11 5.750 4.904 -15.143
227 HA LEU 11 HA LEU 11 2.919 4.885 -14.640
228 HB2 LEU 11 1HB LEU 11 4.588 4.198 -12.975
229 HB3 LEU 11 2HB LEU 11 5.250 5.825 -12.941
230 HG LEU 11 HG LEU 11 3.253 6.695 -11.879
231 HD11 LEU 11 1HD1 LEU 11 1.511 5.250 -12.830
232 HD12 LEU 11 2HD1 LEU 11 1.462 5.208 -11.060
233 HD13 LEU 11 3HD1 LEU 11 2.181 3.849 -11.955
234 HD21 LEU 11 3HD2 LEU 11 3.498 5.531 -9.732
235 HD22 LEU 11 1HD2 LEU 11 5.076 5.733 -10.523
236 HD23 LEU 11 2HD2 LEU 11 4.263 4.145 -10.553
237 H VAL 12 H VAL 12 5.322 7.575 -14.741
238 HA VAL 12 HA VAL 12 3.250 9.487 -14.147
239 HB VAL 12 HB VAL 12 4.914 11.230 -14.666
240 HG11 VAL 12 1HG1 VAL 12 6.143 8.957 -13.044
241 HG12 VAL 12 2HG1 VAL 12 6.494 10.694 -12.891
242 HG13 VAL 12 3HG1 VAL 12 4.892 10.073 -12.447
243 HG21 VAL 12 3HG2 VAL 12 7.198 10.683 -15.329
244 HG22 VAL 12 1HG2 VAL 12 6.773 8.966 -15.465
245 HG23 VAL 12 2HG2 VAL 12 6.058 10.155 -16.579
246 H GLU 13 H GLU 13 4.522 8.115 -17.152
247 HA GLU 13 HA GLU 13 3.296 10.021 -18.918
248 HB2 GLU 13 1HB GLU 13 4.080 7.110 -19.213
249 HB3 GLU 13 2HB GLU 13 3.314 8.013 -20.527
250 HG2 GLU 13 1HG GLU 13 5.139 9.623 -20.554
251 HG3 GLU 13 2HG GLU 13 5.910 8.823 -19.181
252 HE2 GLU 13 HE2 GLU 13 6.884 6.112 -21.105
253 H ALA 14 H ALA 14 2.099 7.010 -17.380
254 HA ALA 14 HA ALA 14 -0.431 7.053 -18.741
255 HB1 ALA 14 3HB ALA 14 -1.115 5.471 -16.988
256 HB2 ALA 14 1HB ALA 14 0.495 5.058 -17.622
257 HB3 ALA 14 2HB ALA 14 0.342 5.870 -16.046
258 H LEU 15 H LEU 15 0.779 8.463 -15.692
259 HA LEU 15 HA LEU 15 -1.778 9.318 -14.761
260 HB2 LEU 15 1HB LEU 15 1.053 10.170 -14.161
261 HB3 LEU 15 2HB LEU 15 -0.332 10.946 -13.393
262 HG LEU 15 HG LEU 15 0.132 7.957 -13.264
263 HD11 LEU 15 1HD1 LEU 15 1.035 8.295 -11.017
264 HD12 LEU 15 2HD1 LEU 15 0.912 10.060 -11.206
265 HD13 LEU 15 3HD1 LEU 15 2.043 9.127 -12.219
266 HD21 LEU 15 3HD2 LEU 15 -1.513 9.828 -11.528
267 HD22 LEU 15 1HD2 LEU 15 -1.446 8.052 -11.443
268 HD23 LEU 15 2HD2 LEU 15 -2.176 8.836 -12.843
269 H TYR 16 H TYR 16 0.509 10.854 -17.005
270 HA TYR 16 HA TYR 16 -0.725 13.445 -16.987
271 HB2 TYR 16 1HB TYR 16 0.847 11.885 -19.052
272 HB3 TYR 16 2HB TYR 16 0.053 13.400 -19.487
273 HD1 TYR 16 HD1 TYR 16 0.547 15.485 -17.966
274 HD2 TYR 16 HD2 TYR 16 3.046 11.986 -18.140
275 HE1 TYR 16 HE1 TYR 16 2.459 16.793 -17.037
276 HE2 TYR 16 HE2 TYR 16 4.947 13.302 -17.203
277 HH TYR 16 HH TYR 16 5.657 15.340 -16.436
278 H LEU 17 H LEU 17 -1.562 10.399 -18.649
279 HA LEU 17 HA LEU 17 -3.616 11.632 -20.270
280 HB2 LEU 17 1HB LEU 17 -3.334 8.758 -19.359
281 HB3 LEU 17 2HB LEU 17 -4.396 9.352 -20.623
282 HG LEU 17 HG LEU 17 -1.362 9.464 -20.738
283 HD11 LEU 17 1HD1 LEU 17 -3.297 7.499 -22.024
284 HD12 LEU 17 2HD1 LEU 17 -2.194 7.145 -20.671
285 HD13 LEU 17 3HD1 LEU 17 -1.535 7.553 -22.269
286 HD21 LEU 17 3HD2 LEU 17 -2.409 11.152 -22.170
287 HD22 LEU 17 1HD2 LEU 17 -3.489 9.925 -22.870
288 HD23 LEU 17 2HD2 LEU 17 -1.735 9.848 -23.164
289 H VAL 18 H VAL 18 -3.591 9.982 -17.116
290 HA VAL 18 HA VAL 18 -6.481 9.854 -16.959
291 HB VAL 18 HB VAL 18 -4.323 9.490 -14.827
292 HG11 VAL 18 1HG1 VAL 18 -6.092 8.289 -13.544
293 HG12 VAL 18 2HG1 VAL 18 -6.444 10.014 -13.730
294 HG13 VAL 18 3HG1 VAL 18 -7.297 8.822 -14.740
295 HG21 VAL 18 3HG2 VAL 18 -4.144 7.851 -16.601
296 HG22 VAL 18 1HG2 VAL 18 -4.856 7.070 -15.187
297 HG23 VAL 18 2HG2 VAL 18 -5.888 7.536 -16.553
298 H CYS 19 H CYS 19 -3.999 12.010 -15.530
299 HA CYS 19 HA CYS 19 -6.158 13.518 -14.217
300 HB2 CYS 19 1HB CYS 19 -3.454 13.104 -13.664
301 HB3 CYS 19 2HB CYS 19 -3.559 14.800 -14.165
302 H GLY 20 H GLY 20 -4.551 13.543 -17.274
303 HA2 GLY 20 1HA GLY 20 -4.811 15.008 -19.033
304 HA3 GLY 20 2HA GLY 20 -6.080 15.834 -18.106
305 H GLU 21 H GLU 21 -5.340 17.847 -18.806
306 HA GLU 21 HA GLU 21 -2.669 18.781 -18.518
307 HB2 GLU 21 1HB GLU 21 -4.657 19.615 -19.939
308 HB3 GLU 21 2HB GLU 21 -5.152 20.513 -18.501
309 HG2 GLU 21 1HG GLU 21 -2.995 21.732 -18.536
310 HG3 GLU 21 2HG GLU 21 -2.487 20.794 -19.947
311 HE2 GLU 21 HE2 GLU 21 -3.667 23.774 -21.301
312 H ARG 22 H ARG 22 -4.876 18.120 -16.017
313 HA ARG 22 HA ARG 22 -4.438 20.376 -14.290
314 HB2 ARG 22 1HB ARG 22 -5.133 17.486 -13.677
315 HB3 ARG 22 2HB ARG 22 -5.136 18.787 -12.484
316 HG2 ARG 22 1HG ARG 22 -6.879 19.971 -13.736
317 HG3 ARG 22 2HG ARG 22 -6.899 18.677 -14.954
318 HD2 ARG 22 1HD ARG 22 -7.405 18.205 -11.999
319 HD3 ARG 22 2HD ARG 22 -8.696 18.533 -13.173
320 HE ARG 22 HE ARG 22 -7.156 16.426 -14.229
321 HH11 ARG 22 1HH1 ARG 22 -9.184 16.918 -11.373
322 HH12 ARG 22 2HH1 ARG 22 -9.647 15.239 -11.298
323 HH21 ARG 22 1HH2 ARG 22 -7.828 14.309 -14.085
324 HH22 ARG 22 2HH2 ARG 22 -8.883 13.792 -12.799
325 H GLY 23 H GLY 23 -2.475 17.565 -15.014
326 HA2 GLY 23 1HA GLY 23 -0.266 17.174 -14.282
327 HA3 GLY 23 2HA GLY 23 -0.415 18.516 -13.120
328 H PHE 24 H PHE 24 0.663 16.473 -11.900
329 HA PHE 24 HA PHE 24 -1.379 15.376 -10.132
330 HB2 PHE 24 1HB PHE 24 -0.745 13.001 -10.599
331 HB3 PHE 24 2HB PHE 24 -1.616 13.762 -11.931
332 HD1 PHE 24 HD2 PHE 24 1.662 12.516 -10.792
333 HD2 PHE 24 HD1 PHE 24 -0.565 14.201 -14.049
334 HE1 PHE 24 HE2 PHE 24 3.503 11.945 -12.328
335 HE2 PHE 24 HE1 PHE 24 1.273 13.634 -15.594
336 HZ PHE 24 HZ PHE 24 3.324 12.529 -14.758
337 H PHE 25 H PHE 25 0.075 13.532 -8.783
338 HA PHE 25 HA PHE 25 2.696 14.865 -8.260
339 HB2 PHE 25 1HB PHE 25 2.311 14.533 -5.860
340 HB3 PHE 25 2HB PHE 25 1.078 15.579 -6.566
341 HD1 PHE 25 HD2 PHE 25 1.750 12.251 -5.094
342 HD2 PHE 25 HD1 PHE 25 -1.257 14.872 -6.712
343 HE1 PHE 25 HE2 PHE 25 -0.028 10.778 -4.164
344 HE2 PHE 25 HE1 PHE 25 -3.041 13.398 -5.782
345 HZ PHE 25 HZ PHE 25 -2.428 11.364 -4.490
346 H TYR 26 H TYR 26 4.119 13.402 -6.878
347 HA TYR 26 HA TYR 26 3.587 10.521 -7.347
348 HB2 TYR 26 1HB TYR 26 4.939 11.198 -9.271
349 HB3 TYR 26 2HB TYR 26 6.103 12.003 -8.207
350 HD1 TYR 26 HD2 TYR 26 4.522 8.603 -8.704
351 HD2 TYR 26 HD1 TYR 26 8.036 10.824 -7.571
352 HE1 TYR 26 HE2 TYR 26 5.793 6.473 -8.421
353 HE2 TYR 26 HE1 TYR 26 9.297 8.686 -7.326
354 HH TYR 26 HH TYR 26 7.776 5.509 -7.874
355 H THR 27 H THR 27 4.582 9.211 -5.812
356 HA THR 27 HA THR 27 5.741 10.676 -3.495
357 HB THR 27 HB THR 27 3.796 9.882 -2.585
358 HG1 THR 27 HG1 THR 27 5.446 8.898 -1.405
359 HG21 THR 27 1HG2 THR 27 2.831 7.643 -3.175
360 HG22 THR 27 2HG2 THR 27 4.059 7.520 -4.456
361 HG23 THR 27 3HG2 THR 27 2.843 8.824 -4.498
362 HA PRO 28 HA PRO 28 9.115 7.927 -4.850
363 HB2 PRO 28 1HB PRO 28 11.179 9.538 -4.147
364 HB3 PRO 28 2HB PRO 28 10.158 9.905 -5.573
365 HG2 PRO 28 1HG PRO 28 10.044 11.047 -2.812
366 HG3 PRO 28 2HG PRO 28 9.978 11.886 -4.389
367 HD2 PRO 28 1HD PRO 28 7.758 11.232 -2.869
368 HD3 PRO 28 2HD PRO 28 7.708 11.416 -4.656
369 H LYS 29 H LYS 29 11.142 7.129 -3.575
370 HA LYS 29 HA LYS 29 10.274 6.403 -0.852
371 HB2 LYS 29 1HB LYS 29 12.809 5.716 -2.392
372 HB3 LYS 29 2HB LYS 29 12.363 5.078 -0.803
373 HG2 LYS 29 1HG LYS 29 10.263 4.152 -1.934
374 HG3 LYS 29 2HG LYS 29 11.054 4.531 -3.474
375 HD2 LYS 29 1HD LYS 29 12.215 2.729 -1.288
376 HD3 LYS 29 2HD LYS 29 11.386 2.160 -2.742
377 HE2 LYS 29 1HE LYS 29 13.571 1.953 -3.440
378 HE3 LYS 29 2HE LYS 29 13.234 3.595 -4.003
379 HZ1 LYS 29 3HZ LYS 29 15.364 3.459 -2.853
380 HZ2 LYS 29 1HZ LYS 29 14.651 2.891 -1.479
381 HZ3 LYS 29 2HZ LYS 29 14.345 4.428 -1.991
382 H THR 30 H THR 30 10.331 8.504 0.095
383 HA THR 30 HA THR 30 12.722 10.115 0.087
384 HB THR 30 HB THR 30 11.478 11.341 1.947
385 HG1 THR 30 HG1 THR 30 10.422 9.395 2.719
386 HG21 THR 30 1HG2 THR 30 9.738 10.631 -0.502
387 HG22 THR 30 2HG2 THR 30 11.031 11.848 -0.512
388 HG23 THR 30 3HG2 THR 30 9.600 12.078 0.505
389 HXT THR 30 H02 THR 30 14.429 9.142 2.770
Start of MODEL 48
1 H1 GLY 1 3H0 GLY 1 2.163 -1.138 -1.177
2 H2 GLY 1 2H0 GLY 1 3.641 -0.834 -1.843
3 H3 GLY 1 1H0 GLY 1 3.379 -0.528 -0.242
4 HA2 GLY 1 1HA GLY 1 1.819 1.202 -0.747
5 HA3 GLY 1 2HA GLY 1 3.398 1.513 -1.498
6 H ILE 2 H ILE 2 1.254 2.834 -2.571
7 HA ILE 2 HA ILE 2 -0.216 1.348 -4.493
8 HB ILE 2 HB ILE 2 -0.820 3.605 -3.539
9 HG12 ILE 2 1HG1 ILE 2 -0.833 3.417 -6.568
10 HG13 ILE 2 2HG1 ILE 2 -1.940 2.569 -5.492
11 HG21 ILE 2 1HG2 ILE 2 0.095 5.663 -4.502
12 HG22 ILE 2 2HG2 ILE 2 1.422 4.709 -3.829
13 HG23 ILE 2 3HG2 ILE 2 1.152 4.740 -5.586
14 HD11 ILE 2 3HD1 ILE 2 -2.762 4.816 -4.663
15 HD12 ILE 2 1HD1 ILE 2 -1.744 5.594 -5.906
16 HD13 ILE 2 2HD1 ILE 2 -3.073 4.519 -6.388
17 H VAL 3 H VAL 3 3.006 2.837 -4.721
18 HA VAL 3 HA VAL 3 3.167 2.758 -7.566
19 HB VAL 3 HB VAL 3 5.439 2.476 -5.548
20 HG11 VAL 3 1HG1 VAL 3 6.158 1.791 -7.797
21 HG12 VAL 3 2HG1 VAL 3 5.417 3.234 -8.514
22 HG13 VAL 3 3HG1 VAL 3 6.833 3.396 -7.441
23 HG21 VAL 3 3HG2 VAL 3 4.219 4.941 -6.872
24 HG22 VAL 3 1HG2 VAL 3 4.174 4.539 -5.140
25 HG23 VAL 3 2HG2 VAL 3 5.719 4.941 -5.916
26 H GLU 4 H GLU 4 3.980 0.327 -5.050
27 HA GLU 4 HA GLU 4 5.013 -1.600 -6.917
28 HB2 GLU 4 1HB GLU 4 3.745 -1.898 -4.171
29 HB3 GLU 4 2HB GLU 4 4.346 -3.265 -5.110
30 HG2 GLU 4 1HG GLU 4 6.086 -2.742 -3.649
31 HG3 GLU 4 2HG GLU 4 6.576 -2.083 -5.216
32 HE2 GLU 4 HE2 GLU 4 7.322 0.720 -3.496
33 H GLN 5 H GLN 5 1.768 -0.924 -5.609
34 HA GLN 5 HA GLN 5 0.424 -3.164 -6.659
35 HB2 GLN 5 1HB GLN 5 -0.406 -1.432 -5.029
36 HB3 GLN 5 2HB GLN 5 -0.629 -0.329 -6.385
37 HG2 GLN 5 1HG GLN 5 -2.261 -1.876 -7.381
38 HG3 GLN 5 2HG GLN 5 -2.056 -2.964 -5.994
39 HE21 GLN 5 2HE2 GLN 5 -4.294 -1.107 -7.131
40 HE22 GLN 5 1HE2 GLN 5 -4.846 -0.275 -5.693
41 H CYS 6 H CYS 6 1.204 -0.026 -8.214
42 HA CYS 6 HA CYS 6 -0.191 -0.912 -10.658
43 HB2 CYS 6 1HB CYS 6 1.355 1.638 -10.115
44 HB3 CYS 6 2HB CYS 6 0.268 1.318 -11.476
45 H CYS 7 H CYS 7 2.952 -1.223 -9.402
46 HA CYS 7 HA CYS 7 4.204 -1.246 -12.072
47 HB2 CYS 7 1HB CYS 7 5.424 -0.240 -10.223
48 HB3 CYS 7 2HB CYS 7 5.338 -1.749 -9.312
49 H THR 8 H THR 8 3.447 -3.540 -9.390
50 HA THR 8 HA THR 8 4.388 -5.762 -11.081
51 HB THR 8 HB THR 8 4.818 -5.629 -8.565
52 HG1 THR 8 HG1 THR 8 4.413 -7.924 -8.379
53 HG21 THR 8 1HG2 THR 8 3.178 -6.216 -7.013
54 HG22 THR 8 2HG2 THR 8 2.074 -6.849 -8.263
55 HG23 THR 8 3HG2 THR 8 2.310 -5.101 -8.077
56 H SER 9 H SER 9 1.408 -4.141 -10.322
57 HA SER 9 HA SER 9 0.057 -6.128 -12.074
58 HB2 SER 9 1HB SER 9 -1.167 -4.836 -9.571
59 HB3 SER 9 2HB SER 9 -2.026 -5.884 -10.716
60 HG SER 9 HG SER 9 -1.211 -6.979 -8.826
61 H ILE 10 H ILE 10 -2.333 -4.858 -12.524
62 HA ILE 10 HA ILE 10 -1.197 -3.006 -14.421
63 HB ILE 10 HB ILE 10 -4.098 -3.839 -13.983
64 HG12 ILE 10 1HG1 ILE 10 -2.586 -5.732 -14.499
65 HG13 ILE 10 2HG1 ILE 10 -3.791 -5.441 -15.745
66 HG21 ILE 10 1HG2 ILE 10 -2.792 -2.327 -16.283
67 HG22 ILE 10 2HG2 ILE 10 -4.389 -3.113 -16.403
68 HG23 ILE 10 3HG2 ILE 10 -4.131 -1.786 -15.255
69 HD11 ILE 10 3HD1 ILE 10 -0.908 -4.504 -15.941
70 HD12 ILE 10 1HD1 ILE 10 -1.540 -6.002 -16.652
71 HD13 ILE 10 2HD1 ILE 10 -2.141 -4.431 -17.206
72 H CYS 11 H CYS 11 -3.665 -2.515 -11.876
73 HA CYS 11 HA CYS 11 -4.694 -0.662 -11.055
74 HB2 CYS 11 1HB CYS 11 -2.204 0.739 -12.031
75 HB3 CYS 11 2HB CYS 11 -3.559 1.609 -11.324
76 H SER 12 H SER 12 -6.569 -0.223 -11.976
77 HA SER 12 HA SER 12 -6.800 0.542 -14.779
78 HB2 SER 12 1HB SER 12 -9.180 0.892 -14.217
79 HB3 SER 12 2HB SER 12 -8.608 -0.671 -13.593
80 HG SER 12 HG SER 12 -9.698 0.289 -11.940
81 H LEU 13 H LEU 13 -7.854 2.700 -15.360
82 HA LEU 13 HA LEU 13 -6.219 4.817 -14.499
83 HB2 LEU 13 1HB LEU 13 -7.619 6.264 -15.769
84 HB3 LEU 13 2HB LEU 13 -7.470 4.736 -16.619
85 HG LEU 13 HG LEU 13 -9.814 4.300 -15.310
86 HD11 LEU 13 1HD1 LEU 13 -11.186 6.355 -15.495
87 HD12 LEU 13 2HD1 LEU 13 -9.736 7.291 -15.930
88 HD13 LEU 13 3HD1 LEU 13 -9.882 6.561 -14.312
89 HD21 LEU 13 3HD2 LEU 13 -10.901 4.869 -17.442
90 HD22 LEU 13 1HD2 LEU 13 -9.377 4.000 -17.707
91 HD23 LEU 13 2HD2 LEU 13 -9.450 5.764 -17.953
92 H TYR 14 H TYR 14 -9.208 3.640 -13.077
93 HA TYR 14 HA TYR 14 -9.800 5.982 -11.534
94 HB2 TYR 14 1HB TYR 14 -10.438 3.102 -10.841
95 HB3 TYR 14 2HB TYR 14 -11.328 4.552 -10.358
96 HD1 TYR 14 HD1 TYR 14 -12.462 5.939 -12.266
97 HD2 TYR 14 HD2 TYR 14 -10.981 1.937 -12.819
98 HE1 TYR 14 HE1 TYR 14 -13.855 5.701 -14.326
99 HE2 TYR 14 HE2 TYR 14 -12.363 1.716 -14.891
100 HH TYR 14 HH TYR 14 -14.495 4.323 -16.046
101 H GLN 15 H GLN 15 -7.800 3.097 -10.968
102 HA GLN 15 HA GLN 15 -7.200 3.712 -8.194
103 HB2 GLN 15 1HB GLN 15 -5.690 2.025 -10.213
104 HB3 GLN 15 2HB GLN 15 -5.424 2.058 -8.464
105 HG2 GLN 15 1HG GLN 15 -8.075 1.557 -8.509
106 HG3 GLN 15 2HG GLN 15 -7.621 0.818 -10.051
107 HE21 GLN 15 2HE2 GLN 15 -7.947 0.364 -6.782
108 HE22 GLN 15 1HE2 GLN 15 -6.939 -1.041 -6.601
109 H LEU 16 H LEU 16 -5.838 4.458 -11.360
110 HA LEU 16 HA LEU 16 -3.417 5.641 -10.393
111 HB2 LEU 16 1HB LEU 16 -4.883 5.936 -13.014
112 HB3 LEU 16 2HB LEU 16 -3.299 6.627 -12.685
113 HG LEU 16 HG LEU 16 -3.922 3.656 -12.562
114 HD11 LEU 16 1HD1 LEU 16 -2.418 5.174 -14.722
115 HD12 LEU 16 2HD1 LEU 16 -4.106 4.622 -14.861
116 HD13 LEU 16 3HD1 LEU 16 -2.806 3.435 -14.676
117 HD21 LEU 16 3HD2 LEU 16 -2.018 4.224 -11.158
118 HD22 LEU 16 1HD2 LEU 16 -1.299 5.196 -12.464
119 HD23 LEU 16 2HD2 LEU 16 -1.437 3.430 -12.629
120 H GLU 17 H GLU 17 -6.687 6.962 -10.844
121 HA GLU 17 HA GLU 17 -6.077 9.731 -10.816
122 HB2 GLU 17 1HB GLU 17 -8.385 8.211 -9.556
123 HB3 GLU 17 2HB GLU 17 -8.306 9.966 -9.615
124 HG2 GLU 17 1HG GLU 17 -7.985 8.576 -12.221
125 HG3 GLU 17 2HG GLU 17 -9.568 8.436 -11.456
126 HE2 GLU 17 HE2 GLU 17 -7.995 9.996 -13.517
127 H ASN 18 H ASN 18 -5.918 7.398 -8.178
128 HA ASN 18 HA ASN 18 -5.980 9.178 -5.970
129 HB2 ASN 18 1HB ASN 18 -4.579 6.521 -6.360
130 HB3 ASN 18 2HB ASN 18 -4.647 7.373 -4.814
131 HD21 ASN 18 2HD2 ASN 18 -6.034 4.991 -6.554
132 HD22 ASN 18 1HD2 ASN 18 -7.630 5.003 -5.829
133 H TYR 19 H TYR 19 -3.409 8.616 -8.298
134 HA TYR 19 HA TYR 19 -1.228 9.544 -6.604
135 HB2 TYR 19 1HB TYR 19 -1.624 9.223 -9.573
136 HB3 TYR 19 2HB TYR 19 -0.136 9.855 -8.901
137 HD1 TYR 19 HD1 TYR 19 -2.280 6.804 -9.039
138 HD2 TYR 19 HD2 TYR 19 1.538 8.453 -7.983
139 HE1 TYR 19 HE1 TYR 19 -1.362 4.510 -8.831
140 HE2 TYR 19 HE2 TYR 19 2.456 6.158 -7.771
141 HH TYR 19 HH TYR 19 0.497 3.245 -8.342
142 H CYS 20 H CYS 20 -3.835 11.170 -8.194
143 HA CYS 20 HA CYS 20 -2.286 13.593 -8.783
144 HB2 CYS 20 1HB CYS 20 -5.289 13.145 -8.808
145 HB3 CYS 20 2HB CYS 20 -4.416 14.505 -9.533
146 H ASN 21 H ASN 21 -2.656 15.632 -7.723
147 HA ASN 21 HA ASN 21 -2.790 15.372 -4.857
148 HB2 ASN 21 1HB ASN 21 -1.455 17.173 -6.054
149 HB3 ASN 21 2HB ASN 21 -2.984 17.949 -6.491
150 HD21 ASN 21 2HD2 ASN 21 -3.455 19.601 -5.204
151 HD22 ASN 21 1HD2 ASN 21 -3.143 19.652 -3.488
152 HXT ASN 21 H02 ASN 21 -5.955 15.865 -4.090
153 H1 PHE 1 3H0 PHE 1 -8.744 4.270 -22.444
154 H2 PHE 1 2H0 PHE 1 -8.154 3.341 -23.674
155 H3 PHE 1 1H0 PHE 1 -9.132 2.668 -22.531
156 HA PHE 1 HA PHE 1 -6.424 3.737 -22.075
157 HB2 PHE 1 1HB PHE 1 -8.207 3.965 -20.221
158 HB3 PHE 1 2HB PHE 1 -8.171 2.200 -20.122
159 HD1 PHE 1 HD2 PHE 1 -6.169 5.309 -19.671
160 HD2 PHE 1 HD1 PHE 1 -6.342 1.052 -19.024
161 HE1 PHE 1 HE2 PHE 1 -4.189 5.461 -18.169
162 HE2 PHE 1 HE1 PHE 1 -4.360 1.200 -17.520
163 HZ PHE 1 HZ PHE 1 -3.274 3.404 -17.104
164 H VAL 2 H VAL 2 -4.807 2.034 -21.650
165 HA VAL 2 HA VAL 2 -5.664 -0.648 -22.676
166 HB VAL 2 HB VAL 2 -3.033 0.810 -23.269
167 HG11 VAL 2 1HG1 VAL 2 -2.680 -1.616 -23.088
168 HG12 VAL 2 2HG1 VAL 2 -4.059 -1.925 -24.171
169 HG13 VAL 2 3HG1 VAL 2 -2.594 -1.129 -24.791
170 HG21 VAL 2 3HG2 VAL 2 -4.828 1.780 -24.610
171 HG22 VAL 2 1HG2 VAL 2 -3.827 0.755 -25.652
172 HG23 VAL 2 2HG2 VAL 2 -5.406 0.163 -25.080
173 H ASN 3 H ASN 3 -5.017 -2.334 -21.404
174 HA ASN 3 HA ASN 3 -3.839 -1.736 -18.825
175 HB2 ASN 3 1HB ASN 3 -3.681 -4.284 -18.688
176 HB3 ASN 3 2HB ASN 3 -5.317 -3.594 -18.820
177 HD21 ASN 3 2HD2 ASN 3 -3.376 -6.023 -19.908
178 HD22 ASN 3 1HD2 ASN 3 -4.168 -6.358 -21.426
179 H GLN 4 H GLN 4 -1.816 -1.660 -18.241
180 HA GLN 4 HA GLN 4 0.136 -3.521 -19.313
181 HB2 GLN 4 1HB GLN 4 1.774 -1.772 -19.947
182 HB3 GLN 4 2HB GLN 4 0.359 -1.722 -21.003
183 HG2 GLN 4 1HG GLN 4 -0.537 0.186 -19.662
184 HG3 GLN 4 2HG GLN 4 0.946 0.162 -18.699
185 HE21 GLN 4 2HE2 GLN 4 -0.419 0.751 -21.882
186 HE22 GLN 4 1HE2 GLN 4 0.907 1.727 -22.467
187 H HIS 5 H HIS 5 1.785 -3.703 -17.720
188 HA HIS 5 HA HIS 5 1.212 -2.553 -15.101
189 HB2 HIS 5 1HB HIS 5 3.681 -3.956 -16.200
190 HB3 HIS 5 2HB HIS 5 3.432 -3.508 -14.515
191 HD1 HIS 5 HD1 HIS 5 0.719 -4.446 -13.806
192 HD2 HIS 5 HD2 HIS 5 3.172 -6.627 -16.307
193 HE1 HIS 5 HE1 HIS 5 -0.136 -6.867 -13.794
194 HE2 HIS 5 HE2 HIS 5 1.403 -8.168 -15.298
195 H LEU 6 H LEU 6 2.318 -0.849 -14.070
196 HA LEU 6 HA LEU 6 3.787 0.950 -15.966
197 HB2 LEU 6 1HB LEU 6 1.710 1.556 -13.848
198 HB3 LEU 6 2HB LEU 6 2.631 2.777 -14.712
199 HG LEU 6 HG LEU 6 0.793 0.814 -16.098
200 HD11 LEU 6 1HD1 LEU 6 -0.509 2.115 -14.529
201 HD12 LEU 6 2HD1 LEU 6 -0.823 2.677 -16.180
202 HD13 LEU 6 3HD1 LEU 6 0.238 3.625 -15.107
203 HD21 LEU 6 3HD2 LEU 6 0.865 2.536 -17.899
204 HD22 LEU 6 1HD2 LEU 6 2.446 1.805 -17.580
205 HD23 LEU 6 2HD2 LEU 6 2.073 3.431 -16.960
206 H CYS 7 H CYS 7 5.865 0.871 -15.304
207 HA CYS 7 HA CYS 7 6.367 1.447 -12.408
208 HB2 CYS 7 1HB CYS 7 8.168 -0.059 -14.334
209 HB3 CYS 7 2HB CYS 7 8.428 0.167 -12.603
210 H GLY 8 H GLY 8 8.093 2.910 -11.966
211 HA2 GLY 8 1HA GLY 8 9.442 4.735 -12.383
212 HA3 GLY 8 2HA GLY 8 9.923 3.869 -13.848
213 H SER 9 H SER 9 9.995 5.362 -15.394
214 HA SER 9 HA SER 9 8.401 7.663 -15.549
215 HB2 SER 9 1HB SER 9 9.386 6.389 -18.065
216 HB3 SER 9 2HB SER 9 9.575 8.059 -17.477
217 HG SER 9 HG SER 9 11.552 7.029 -17.290
218 H HIS 10 H HIS 10 7.630 4.376 -16.709
219 HA HIS 10 HA HIS 10 5.603 5.194 -18.575
220 HB2 HIS 10 1HB HIS 10 6.384 2.680 -17.229
221 HB3 HIS 10 2HB HIS 10 4.668 2.799 -17.615
222 HD1 HIS 10 HD1 HIS 10 3.995 2.119 -19.961
223 HD2 HIS 10 HD2 HIS 10 8.049 3.191 -19.668
224 HE1 HIS 10 HE1 HIS 10 5.045 1.705 -22.237
225 HE2 HIS 10 HE2 HIS 10 7.484 2.354 -22.049
226 H LEU 11 H LEU 11 5.577 4.683 -15.066
227 HA LEU 11 HA LEU 11 2.721 4.837 -14.786
228 HB2 LEU 11 1HB LEU 11 4.287 3.910 -13.105
229 HB3 LEU 11 2HB LEU 11 4.959 5.508 -12.844
230 HG LEU 11 HG LEU 11 2.957 6.274 -11.765
231 HD11 LEU 11 1HD1 LEU 11 1.053 4.763 -11.318
232 HD12 LEU 11 2HD1 LEU 11 1.763 3.551 -12.408
233 HD13 LEU 11 3HD1 LEU 11 1.220 5.125 -13.043
234 HD21 LEU 11 3HD2 LEU 11 4.652 4.950 -10.514
235 HD22 LEU 11 1HD2 LEU 11 3.708 3.473 -10.820
236 HD23 LEU 11 2HD2 LEU 11 3.027 4.781 -9.827
237 H VAL 12 H VAL 12 5.354 7.237 -14.655
238 HA VAL 12 HA VAL 12 3.705 9.472 -14.003
239 HB VAL 12 HB VAL 12 6.320 9.397 -15.591
240 HG11 VAL 12 1HG1 VAL 12 5.048 11.655 -14.002
241 HG12 VAL 12 2HG1 VAL 12 6.626 11.707 -14.820
242 HG13 VAL 12 3HG1 VAL 12 5.139 11.555 -15.774
243 HG21 VAL 12 3HG2 VAL 12 7.372 9.888 -13.365
244 HG22 VAL 12 1HG2 VAL 12 5.795 9.595 -12.601
245 HG23 VAL 12 2HG2 VAL 12 6.632 8.281 -13.456
246 H GLU 13 H GLU 13 4.751 8.087 -17.140
247 HA GLU 13 HA GLU 13 3.591 10.119 -18.781
248 HB2 GLU 13 1HB GLU 13 4.202 7.192 -19.267
249 HB3 GLU 13 2HB GLU 13 3.593 8.270 -20.529
250 HG2 GLU 13 1HG GLU 13 5.558 9.634 -20.445
251 HG3 GLU 13 2HG GLU 13 6.133 8.840 -18.976
252 HE2 GLU 13 HE2 GLU 13 6.408 9.026 -22.059
253 H ALA 14 H ALA 14 2.250 7.185 -17.289
254 HA ALA 14 HA ALA 14 -0.187 7.239 -18.836
255 HB1 ALA 14 3HB ALA 14 0.635 5.205 -17.729
256 HB2 ALA 14 1HB ALA 14 0.450 5.977 -16.137
257 HB3 ALA 14 2HB ALA 14 -0.987 5.631 -17.130
258 H LEU 15 H LEU 15 0.859 8.603 -15.719
259 HA LEU 15 HA LEU 15 -1.730 9.347 -14.823
260 HB2 LEU 15 1HB LEU 15 1.044 10.342 -14.195
261 HB3 LEU 15 2HB LEU 15 -0.387 11.002 -13.408
262 HG LEU 15 HG LEU 15 0.328 8.060 -13.335
263 HD11 LEU 15 1HD1 LEU 15 2.082 9.412 -12.236
264 HD12 LEU 15 2HD1 LEU 15 1.158 8.426 -11.084
265 HD13 LEU 15 3HD1 LEU 15 0.836 10.171 -11.218
266 HD21 LEU 15 3HD2 LEU 15 -2.024 8.521 -12.977
267 HD22 LEU 15 1HD2 LEU 15 -1.618 9.757 -11.769
268 HD23 LEU 15 2HD2 LEU 15 -1.257 8.042 -11.461
269 H TYR 16 H TYR 16 0.438 10.983 -17.076
270 HA TYR 16 HA TYR 16 -0.851 13.542 -17.023
271 HB2 TYR 16 1HB TYR 16 0.584 11.992 -19.207
272 HB3 TYR 16 2HB TYR 16 -0.157 13.566 -19.512
273 HD1 TYR 16 HD1 TYR 16 0.618 15.598 -18.166
274 HD2 TYR 16 HD2 TYR 16 2.749 11.867 -18.192
275 HE1 TYR 16 HE1 TYR 16 2.662 16.753 -17.316
276 HE2 TYR 16 HE2 TYR 16 4.800 13.035 -17.377
277 HH TYR 16 HH TYR 16 4.851 16.527 -16.680
278 H LEU 17 H LEU 17 -1.579 10.520 -18.800
279 HA LEU 17 HA LEU 17 -3.815 11.684 -20.224
280 HB2 LEU 17 1HB LEU 17 -3.230 8.786 -19.554
281 HB3 LEU 17 2HB LEU 17 -4.397 9.371 -20.726
282 HG LEU 17 HG LEU 17 -1.392 9.773 -20.946
283 HD11 LEU 17 1HD1 LEU 17 -2.009 7.389 -21.026
284 HD12 LEU 17 2HD1 LEU 17 -1.467 7.971 -22.616
285 HD13 LEU 17 3HD1 LEU 17 -3.203 7.735 -22.303
286 HD21 LEU 17 3HD2 LEU 17 -3.646 10.186 -22.958
287 HD22 LEU 17 1HD2 LEU 17 -1.908 10.297 -23.320
288 HD23 LEU 17 2HD2 LEU 17 -2.653 11.456 -22.205
289 H VAL 18 H VAL 18 -3.431 9.857 -17.209
290 HA VAL 18 HA VAL 18 -6.198 9.250 -16.843
291 HB VAL 18 HB VAL 18 -3.900 9.515 -14.855
292 HG11 VAL 18 1HG1 VAL 18 -5.333 8.172 -13.305
293 HG12 VAL 18 2HG1 VAL 18 -5.936 9.808 -13.581
294 HG13 VAL 18 3HG1 VAL 18 -6.706 8.424 -14.406
295 HG21 VAL 18 3HG2 VAL 18 -5.253 6.997 -15.858
296 HG22 VAL 18 1HG2 VAL 18 -3.863 7.719 -16.680
297 HG23 VAL 18 2HG2 VAL 18 -3.699 7.171 -15.013
298 H CYS 19 H CYS 19 -4.181 11.915 -15.515
299 HA CYS 19 HA CYS 19 -6.681 13.021 -14.383
300 HB2 CYS 19 1HB CYS 19 -3.873 13.151 -13.660
301 HB3 CYS 19 2HB CYS 19 -4.655 14.747 -13.646
302 H GLY 20 H GLY 20 -4.814 13.410 -17.226
303 HA2 GLY 20 1HA GLY 20 -5.084 14.926 -18.934
304 HA3 GLY 20 2HA GLY 20 -6.586 15.446 -18.151
305 H GLU 21 H GLU 21 -6.345 17.592 -18.530
306 HA GLU 21 HA GLU 21 -3.947 19.071 -18.080
307 HB2 GLU 21 1HB GLU 21 -6.837 20.023 -18.119
308 HB3 GLU 21 2HB GLU 21 -5.407 21.045 -18.271
309 HG2 GLU 21 1HG GLU 21 -5.844 20.849 -20.483
310 HG3 GLU 21 2HG GLU 21 -4.915 19.352 -20.321
311 HE2 GLU 21 HE2 GLU 21 -8.314 19.062 -21.833
312 H ARG 22 H ARG 22 -6.038 17.746 -15.721
313 HA ARG 22 HA ARG 22 -5.902 19.881 -13.762
314 HB2 ARG 22 1HB ARG 22 -6.280 16.883 -13.453
315 HB3 ARG 22 2HB ARG 22 -6.439 18.047 -12.140
316 HG2 ARG 22 1HG ARG 22 -8.318 19.125 -13.241
317 HG3 ARG 22 2HG ARG 22 -8.156 18.052 -14.648
318 HD2 ARG 22 1HD ARG 22 -8.643 17.049 -11.825
319 HD3 ARG 22 2HD ARG 22 -9.948 17.397 -12.980
320 HE ARG 22 HE ARG 22 -8.189 15.712 -14.340
321 HH11 ARG 22 1HH1 ARG 22 -10.082 15.407 -11.359
322 HH12 ARG 22 2HH1 ARG 22 -10.263 13.680 -11.556
323 HH21 ARG 22 1HH2 ARG 22 -8.527 13.533 -14.526
324 HH22 ARG 22 2HH2 ARG 22 -9.390 12.650 -13.293
325 H GLY 23 H GLY 23 -3.699 17.388 -14.837
326 HA2 GLY 23 1HA GLY 23 -1.451 17.165 -14.298
327 HA3 GLY 23 2HA GLY 23 -1.611 18.480 -13.121
328 H PHE 24 H PHE 24 -0.067 16.669 -12.204
329 HA PHE 24 HA PHE 24 -1.466 15.356 -10.019
330 HB2 PHE 24 1HB PHE 24 -0.738 13.093 -10.546
331 HB3 PHE 24 2HB PHE 24 -1.766 13.682 -11.856
332 HD1 PHE 24 HD2 PHE 24 -0.753 14.398 -14.018
333 HD2 PHE 24 HD1 PHE 24 1.545 12.517 -10.924
334 HE1 PHE 24 HE2 PHE 24 1.043 13.912 -15.654
335 HE2 PHE 24 HE1 PHE 24 3.344 12.007 -12.555
336 HZ PHE 24 HZ PHE 24 3.102 12.722 -14.937
337 H PHE 25 H PHE 25 0.525 14.012 -8.869
338 HA PHE 25 HA PHE 25 3.080 15.402 -9.492
339 HB2 PHE 25 1HB PHE 25 3.551 15.846 -7.194
340 HB3 PHE 25 2HB PHE 25 1.955 16.528 -7.519
341 HD1 PHE 25 HD1 PHE 25 -0.108 15.251 -6.724
342 HD2 PHE 25 HD2 PHE 25 3.886 14.167 -5.546
343 HE1 PHE 25 HE1 PHE 25 -1.034 13.913 -4.839
344 HE2 PHE 25 HE2 PHE 25 2.971 12.838 -3.651
345 HZ PHE 25 HZ PHE 25 0.503 12.705 -3.297
346 H TYR 26 H TYR 26 4.944 14.130 -8.625
347 HA TYR 26 HA TYR 26 4.333 11.378 -7.809
348 HB2 TYR 26 1HB TYR 26 4.217 11.388 -10.336
349 HB3 TYR 26 2HB TYR 26 5.911 11.905 -10.358
350 HD1 TYR 26 HD1 TYR 26 3.631 9.182 -9.127
351 HD2 TYR 26 HD2 TYR 26 7.654 10.271 -10.205
352 HE1 TYR 26 HE1 TYR 26 4.344 6.806 -8.897
353 HE2 TYR 26 HE2 TYR 26 8.347 7.880 -10.000
354 HH TYR 26 HH TYR 26 6.073 5.319 -9.003
355 H THR 27 H THR 27 6.142 10.380 -6.858
356 HA THR 27 HA THR 27 8.496 12.173 -6.461
357 HB THR 27 HB THR 27 7.491 12.237 -4.372
358 HG1 THR 27 HG1 THR 27 9.536 11.546 -3.970
359 HG21 THR 27 1HG2 THR 27 5.661 10.763 -4.644
360 HG22 THR 27 2HG2 THR 27 6.596 10.141 -3.269
361 HG23 THR 27 3HG2 THR 27 6.731 9.355 -4.858
362 HA PRO 28 HA PRO 28 9.992 8.296 -8.313
363 HB2 PRO 28 1HB PRO 28 11.912 9.351 -9.919
364 HB3 PRO 28 2HB PRO 28 10.170 9.462 -10.340
365 HG2 PRO 28 1HG PRO 28 11.940 11.493 -9.028
366 HG3 PRO 28 2HG PRO 28 10.819 11.703 -10.407
367 HD2 PRO 28 1HD PRO 28 10.166 12.354 -7.816
368 HD3 PRO 28 2HD PRO 28 8.936 11.774 -8.990
369 H LYS 29 H LYS 29 11.879 7.073 -7.910
370 HA LYS 29 HA LYS 29 13.540 8.111 -5.703
371 HB2 LYS 29 1HB LYS 29 14.515 5.763 -5.762
372 HB3 LYS 29 2HB LYS 29 12.828 5.913 -5.277
373 HG2 LYS 29 1HG LYS 29 12.016 4.866 -7.181
374 HG3 LYS 29 2HG LYS 29 13.413 5.305 -8.173
375 HD2 LYS 29 1HD LYS 29 14.028 3.539 -5.860
376 HD3 LYS 29 2HD LYS 29 12.984 2.822 -7.097
377 HE2 LYS 29 1HE LYS 29 15.276 2.285 -7.652
378 HE3 LYS 29 2HE LYS 29 14.665 3.435 -8.850
379 HZ1 LYS 29 3HZ LYS 29 16.916 3.972 -8.122
380 HZ2 LYS 29 1HZ LYS 29 16.414 4.152 -6.561
381 HZ3 LYS 29 2HZ LYS 29 15.878 5.193 -7.729
382 H THR 30 H THR 30 14.690 9.714 -6.827
383 HA THR 30 HA THR 30 16.257 9.079 -9.176
384 HB THR 30 HB THR 30 17.314 11.356 -8.643
385 HG1 THR 30 HG1 THR 30 16.187 12.491 -6.959
386 HG21 THR 30 1HG2 THR 30 14.226 11.227 -8.659
387 HG22 THR 30 2HG2 THR 30 15.245 11.111 -10.108
388 HG23 THR 30 3HG2 THR 30 15.215 12.607 -9.165
389 HXT THR 30 H02 THR 30 18.692 8.664 -6.176
Start of MODEL 49
1 H1 GLY 1 3H0 GLY 1 0.320 -0.237 0.668
2 H2 GLY 1 2H0 GLY 1 -1.117 0.025 -0.101
3 H3 GLY 1 1H0 GLY 1 -0.006 -0.998 -0.759
4 HA2 GLY 1 1HA GLY 1 0.348 1.903 -0.399
5 HA3 GLY 1 2HA GLY 1 1.533 0.796 -1.124
6 H ILE 2 H ILE 2 1.196 2.512 -2.939
7 HA ILE 2 HA ILE 2 -0.947 1.436 -4.681
8 HB ILE 2 HB ILE 2 -1.504 3.655 -3.697
9 HG12 ILE 2 1HG1 ILE 2 -1.120 3.689 -6.699
10 HG13 ILE 2 2HG1 ILE 2 -2.388 2.797 -5.852
11 HG21 ILE 2 1HG2 ILE 2 0.766 4.795 -5.410
12 HG22 ILE 2 2HG2 ILE 2 -0.341 5.694 -4.356
13 HG23 ILE 2 3HG2 ILE 2 0.848 4.601 -3.639
14 HD11 ILE 2 3HD1 ILE 2 -3.150 4.963 -4.860
15 HD12 ILE 2 1HD1 ILE 2 -1.993 5.793 -5.931
16 HD13 ILE 2 2HD1 ILE 2 -3.321 4.844 -6.629
17 H VAL 3 H VAL 3 2.357 2.851 -4.571
18 HA VAL 3 HA VAL 3 2.692 2.743 -7.414
19 HB VAL 3 HB VAL 3 4.850 2.714 -5.253
20 HG11 VAL 3 1HG1 VAL 3 6.299 3.660 -7.072
21 HG12 VAL 3 2HG1 VAL 3 5.750 2.013 -7.444
22 HG13 VAL 3 3HG1 VAL 3 4.976 3.405 -8.233
23 HG21 VAL 3 3HG2 VAL 3 4.968 5.181 -5.742
24 HG22 VAL 3 1HG2 VAL 3 3.509 5.013 -6.742
25 HG23 VAL 3 2HG2 VAL 3 3.437 4.688 -4.995
26 H GLU 4 H GLU 4 3.645 0.481 -4.805
27 HA GLU 4 HA GLU 4 5.005 -1.370 -6.471
28 HB2 GLU 4 1HB GLU 4 5.011 -1.368 -3.958
29 HB3 GLU 4 2HB GLU 4 3.333 -1.908 -3.991
30 HG2 GLU 4 1HG GLU 4 4.112 -3.963 -5.261
31 HG3 GLU 4 2HG GLU 4 5.771 -3.440 -4.938
32 HE2 GLU 4 HE2 GLU 4 5.375 -5.512 -2.266
33 H GLN 5 H GLN 5 1.588 -1.013 -5.582
34 HA GLN 5 HA GLN 5 0.668 -3.432 -6.745
35 HB2 GLN 5 1HB GLN 5 -0.625 -0.788 -6.039
36 HB3 GLN 5 2HB GLN 5 -1.554 -2.112 -6.748
37 HG2 GLN 5 1HG GLN 5 -1.732 -2.028 -4.257
38 HG3 GLN 5 2HG GLN 5 -1.088 -3.559 -4.858
39 HE21 GLN 5 2HE2 GLN 5 0.360 -4.350 -3.509
40 HE22 GLN 5 1HE2 GLN 5 1.625 -3.446 -2.706
41 H CYS 6 H CYS 6 1.035 -0.135 -8.151
42 HA CYS 6 HA CYS 6 -0.110 -1.075 -10.688
43 HB2 CYS 6 1HB CYS 6 1.303 1.524 -10.019
44 HB3 CYS 6 2HB CYS 6 0.415 1.171 -11.504
45 H CYS 7 H CYS 7 2.959 -1.216 -9.211
46 HA CYS 7 HA CYS 7 4.417 -1.264 -11.763
47 HB2 CYS 7 1HB CYS 7 5.482 -0.301 -9.794
48 HB3 CYS 7 2HB CYS 7 5.282 -1.817 -8.912
49 H THR 8 H THR 8 3.529 -3.577 -9.139
50 HA THR 8 HA THR 8 4.622 -5.805 -10.670
51 HB THR 8 HB THR 8 4.573 -5.650 -8.110
52 HG1 THR 8 HG1 THR 8 4.949 -7.603 -9.326
53 HG21 THR 8 1HG2 THR 8 1.752 -6.724 -8.425
54 HG22 THR 8 2HG2 THR 8 2.091 -5.030 -8.005
55 HG23 THR 8 3HG2 THR 8 2.618 -6.338 -6.926
56 H SER 9 H SER 9 1.544 -4.187 -10.465
57 HA SER 9 HA SER 9 0.504 -6.217 -12.363
58 HB2 SER 9 1HB SER 9 -0.413 -6.586 -9.990
59 HB3 SER 9 2HB SER 9 -1.210 -5.004 -10.132
60 HG SER 9 HG SER 9 -2.396 -7.036 -10.780
61 H ILE 10 H ILE 10 -1.952 -5.051 -12.903
62 HA ILE 10 HA ILE 10 -0.821 -3.045 -14.704
63 HB ILE 10 HB ILE 10 -3.635 -4.227 -14.558
64 HG12 ILE 10 1HG1 ILE 10 -1.890 -5.961 -14.888
65 HG13 ILE 10 2HG1 ILE 10 -2.976 -5.792 -16.261
66 HG21 ILE 10 1HG2 ILE 10 -3.745 -3.551 -16.988
67 HG22 ILE 10 2HG2 ILE 10 -3.715 -2.193 -15.858
68 HG23 ILE 10 3HG2 ILE 10 -2.240 -2.626 -16.738
69 HD11 ILE 10 3HD1 ILE 10 -1.288 -4.650 -17.559
70 HD12 ILE 10 1HD1 ILE 10 -0.206 -4.550 -16.164
71 HD13 ILE 10 2HD1 ILE 10 -0.581 -6.127 -16.888
72 H CYS 11 H CYS 11 -3.179 -3.014 -12.062
73 HA CYS 11 HA CYS 11 -4.459 -1.368 -11.112
74 HB2 CYS 11 1HB CYS 11 -2.221 0.327 -12.221
75 HB3 CYS 11 2HB CYS 11 -3.660 1.109 -11.581
76 H SER 12 H SER 12 -5.363 1.130 -12.166
77 HA SER 12 HA SER 12 -6.269 0.687 -14.914
78 HB2 SER 12 1HB SER 12 -8.652 0.701 -14.374
79 HB3 SER 12 2HB SER 12 -7.895 -0.682 -13.554
80 HG SER 12 HG SER 12 -9.119 0.300 -12.031
81 H LEU 13 H LEU 13 -7.740 2.708 -15.431
82 HA LEU 13 HA LEU 13 -6.282 5.006 -14.663
83 HB2 LEU 13 1HB LEU 13 -7.898 6.287 -15.840
84 HB3 LEU 13 2HB LEU 13 -7.624 4.796 -16.721
85 HG LEU 13 HG LEU 13 -9.858 4.141 -15.261
86 HD11 LEU 13 1HD1 LEU 13 -11.418 6.052 -15.490
87 HD12 LEU 13 2HD1 LEU 13 -10.077 7.087 -16.025
88 HD13 LEU 13 3HD1 LEU 13 -10.098 6.428 -14.372
89 HD21 LEU 13 3HD2 LEU 13 -11.079 4.482 -17.363
90 HD22 LEU 13 1HD2 LEU 13 -9.487 3.757 -17.661
91 HD23 LEU 13 2HD2 LEU 13 -9.751 5.489 -17.985
92 H TYR 14 H TYR 14 -9.176 3.540 -13.215
93 HA TYR 14 HA TYR 14 -9.867 5.755 -11.561
94 HB2 TYR 14 1HB TYR 14 -10.283 2.821 -10.936
95 HB3 TYR 14 2HB TYR 14 -11.264 4.193 -10.400
96 HD1 TYR 14 HD1 TYR 14 -12.517 5.550 -12.244
97 HD2 TYR 14 HD2 TYR 14 -10.782 1.671 -12.940
98 HE1 TYR 14 HE1 TYR 14 -13.932 5.276 -14.281
99 HE2 TYR 14 HE2 TYR 14 -12.191 1.417 -14.994
100 HH TYR 14 HH TYR 14 -14.504 3.925 -16.033
101 H GLN 15 H GLN 15 -7.657 3.016 -11.116
102 HA GLN 15 HA GLN 15 -7.060 3.596 -8.340
103 HB2 GLN 15 1HB GLN 15 -5.480 2.119 -10.479
104 HB3 GLN 15 2HB GLN 15 -5.084 2.127 -8.761
105 HG2 GLN 15 1HG GLN 15 -7.685 1.065 -9.936
106 HG3 GLN 15 2HG GLN 15 -6.283 0.074 -9.504
107 HE21 GLN 15 2HE2 GLN 15 -9.237 0.801 -8.454
108 HE22 GLN 15 1HE2 GLN 15 -8.983 0.752 -6.728
109 H LEU 16 H LEU 16 -5.733 4.510 -11.496
110 HA LEU 16 HA LEU 16 -3.451 5.906 -10.493
111 HB2 LEU 16 1HB LEU 16 -4.952 6.078 -13.102
112 HB3 LEU 16 2HB LEU 16 -3.490 6.996 -12.774
113 HG LEU 16 HG LEU 16 -3.644 3.962 -12.665
114 HD11 LEU 16 1HD1 LEU 16 -2.453 4.006 -14.824
115 HD12 LEU 16 2HD1 LEU 16 -2.630 5.778 -14.880
116 HD13 LEU 16 3HD1 LEU 16 -4.066 4.728 -14.942
117 HD21 LEU 16 3HD2 LEU 16 -1.814 4.851 -11.321
118 HD22 LEU 16 1HD2 LEU 16 -1.283 5.877 -12.674
119 HD23 LEU 16 2HD2 LEU 16 -1.174 4.105 -12.793
120 H GLU 17 H GLU 17 -6.825 6.956 -10.945
121 HA GLU 17 HA GLU 17 -6.427 9.756 -10.829
122 HB2 GLU 17 1HB GLU 17 -8.640 7.986 -9.756
123 HB3 GLU 17 2HB GLU 17 -8.696 9.743 -9.636
124 HG2 GLU 17 1HG GLU 17 -8.655 9.972 -12.040
125 HG3 GLU 17 2HG GLU 17 -8.430 8.238 -12.240
126 HE2 GLU 17 HE2 GLU 17 -10.464 10.308 -10.529
127 H ASN 18 H ASN 18 -6.135 7.374 -8.231
128 HA ASN 18 HA ASN 18 -6.412 9.156 -6.031
129 HB2 ASN 18 1HB ASN 18 -4.825 6.606 -6.367
130 HB3 ASN 18 2HB ASN 18 -4.974 7.456 -4.826
131 HD21 ASN 18 2HD2 ASN 18 -6.207 5.012 -6.645
132 HD22 ASN 18 1HD2 ASN 18 -7.801 4.913 -5.924
133 H TYR 19 H TYR 19 -3.719 8.699 -8.258
134 HA TYR 19 HA TYR 19 -1.656 9.822 -6.558
135 HB2 TYR 19 1HB TYR 19 -1.989 9.489 -9.537
136 HB3 TYR 19 2HB TYR 19 -0.553 10.219 -8.854
137 HD1 TYR 19 HD2 TYR 19 -2.469 7.035 -9.082
138 HD2 TYR 19 HD1 TYR 19 1.187 8.912 -7.842
139 HE1 TYR 19 HE2 TYR 19 -1.407 4.803 -8.866
140 HE2 TYR 19 HE1 TYR 19 2.243 6.665 -7.608
141 HH TYR 19 HH TYR 19 0.463 3.644 -8.344
142 H CYS 20 H CYS 20 -4.301 11.173 -8.382
143 HA CYS 20 HA CYS 20 -3.292 13.914 -7.785
144 HB2 CYS 20 1HB CYS 20 -4.397 14.620 -9.922
145 HB3 CYS 20 2HB CYS 20 -2.945 13.654 -10.119
146 H ASN 21 H ASN 21 -4.840 12.324 -6.144
147 HA ASN 21 HA ASN 21 -7.669 12.666 -6.455
148 HB2 ASN 21 1HB ASN 21 -6.686 11.016 -4.854
149 HB3 ASN 21 2HB ASN 21 -6.020 12.341 -3.895
150 HD21 ASN 21 2HD2 ASN 21 -7.151 12.659 -2.112
151 HD22 ASN 21 1HD2 ASN 21 -8.891 12.602 -2.005
152 HXT ASN 21 H02 ASN 21 -8.300 15.775 -5.523
153 H1 PHE 1 3H0 PHE 1 -7.512 3.013 -23.559
154 H2 PHE 1 2H0 PHE 1 -6.868 4.505 -23.272
155 H3 PHE 1 1H0 PHE 1 -6.228 3.541 -24.448
156 HA PHE 1 HA PHE 1 -4.794 3.517 -22.535
157 HB2 PHE 1 1HB PHE 1 -6.902 3.965 -21.057
158 HB3 PHE 1 2HB PHE 1 -7.085 2.208 -21.047
159 HD1 PHE 1 HD1 PHE 1 -5.041 5.068 -19.908
160 HD2 PHE 1 HD2 PHE 1 -5.486 0.780 -19.823
161 HE1 PHE 1 HE1 PHE 1 -3.433 4.943 -18.014
162 HE2 PHE 1 HE2 PHE 1 -3.866 0.649 -17.935
163 HZ PHE 1 HZ PHE 1 -2.846 2.735 -17.019
164 H VAL 2 H VAL 2 -3.585 1.540 -22.063
165 HA VAL 2 HA VAL 2 -4.842 -0.969 -23.012
166 HB VAL 2 HB VAL 2 -3.598 -0.022 -24.985
167 HG11 VAL 2 1HG1 VAL 2 -1.821 1.201 -23.744
168 HG12 VAL 2 2HG1 VAL 2 -1.096 -0.358 -23.278
169 HG13 VAL 2 3HG1 VAL 2 -1.160 0.121 -24.987
170 HG21 VAL 2 3HG2 VAL 2 -2.279 -2.519 -23.836
171 HG22 VAL 2 1HG2 VAL 2 -3.851 -2.476 -24.677
172 HG23 VAL 2 2HG2 VAL 2 -2.365 -2.047 -25.548
173 H ASN 3 H ASN 3 -4.055 -2.761 -21.877
174 HA ASN 3 HA ASN 3 -3.110 -2.161 -19.247
175 HB2 ASN 3 1HB ASN 3 -3.316 -4.785 -20.769
176 HB3 ASN 3 2HB ASN 3 -2.832 -4.666 -19.074
177 HD21 ASN 3 2HD2 ASN 3 -5.025 -6.160 -19.747
178 HD22 ASN 3 1HD2 ASN 3 -6.472 -5.358 -19.189
179 H GLN 4 H GLN 4 -1.150 -1.946 -18.444
180 HA GLN 4 HA GLN 4 1.083 -3.523 -19.412
181 HB2 GLN 4 1HB GLN 4 2.523 -1.529 -19.859
182 HB3 GLN 4 2HB GLN 4 1.221 -1.699 -21.041
183 HG2 GLN 4 1HG GLN 4 -0.104 0.001 -19.758
184 HG3 GLN 4 2HG GLN 4 1.301 0.239 -18.720
185 HE21 GLN 4 2HE2 GLN 4 -0.228 0.995 -21.661
186 HE22 GLN 4 1HE2 GLN 4 1.029 2.023 -22.314
187 H HIS 5 H HIS 5 2.598 -3.637 -17.712
188 HA HIS 5 HA HIS 5 1.772 -2.616 -15.108
189 HB2 HIS 5 1HB HIS 5 4.388 -3.845 -16.065
190 HB3 HIS 5 2HB HIS 5 3.995 -3.476 -14.388
191 HD1 HIS 5 HD1 HIS 5 1.267 -4.564 -13.950
192 HD2 HIS 5 HD2 HIS 5 4.039 -6.537 -16.289
193 HE1 HIS 5 HE1 HIS 5 0.534 -7.019 -14.085
194 HE2 HIS 5 HE2 HIS 5 2.264 -8.196 -15.487
195 H LEU 6 H LEU 6 2.690 -0.912 -13.903
196 HA LEU 6 HA LEU 6 4.272 1.044 -15.559
197 HB2 LEU 6 1HB LEU 6 1.979 1.534 -13.632
198 HB3 LEU 6 2HB LEU 6 2.871 2.773 -14.493
199 HG LEU 6 HG LEU 6 1.166 0.673 -15.858
200 HD11 LEU 6 1HD1 LEU 6 0.487 3.514 -15.029
201 HD12 LEU 6 2HD1 LEU 6 -0.215 2.012 -14.378
202 HD13 LEU 6 3HD1 LEU 6 -0.516 2.469 -16.063
203 HD21 LEU 6 3HD2 LEU 6 2.800 1.631 -17.375
204 HD22 LEU 6 1HD2 LEU 6 2.391 3.278 -16.828
205 HD23 LEU 6 2HD2 LEU 6 1.209 2.324 -17.737
206 H CYS 7 H CYS 7 6.272 1.007 -14.568
207 HA CYS 7 HA CYS 7 6.300 1.309 -11.589
208 HB2 CYS 7 1HB CYS 7 8.494 0.257 -13.400
209 HB3 CYS 7 2HB CYS 7 8.517 0.306 -11.635
210 H GLY 8 H GLY 8 8.466 2.119 -14.346
211 HA2 GLY 8 1HA GLY 8 9.503 4.408 -12.826
212 HA3 GLY 8 2HA GLY 8 10.105 3.789 -14.368
213 H SER 9 H SER 9 10.071 5.445 -15.764
214 HA SER 9 HA SER 9 8.392 7.687 -15.724
215 HB2 SER 9 1HB SER 9 9.023 7.188 -18.413
216 HB3 SER 9 2HB SER 9 9.981 8.135 -17.246
217 HG SER 9 HG SER 9 11.276 6.497 -18.058
218 H HIS 10 H HIS 10 7.701 4.474 -16.957
219 HA HIS 10 HA HIS 10 5.538 5.066 -18.699
220 HB2 HIS 10 1HB HIS 10 6.353 2.736 -16.989
221 HB3 HIS 10 2HB HIS 10 4.705 2.765 -17.610
222 HD1 HIS 10 HD1 HIS 10 4.305 1.933 -19.956
223 HD2 HIS 10 HD2 HIS 10 8.343 2.846 -19.205
224 HE1 HIS 10 HE1 HIS 10 5.623 1.181 -21.978
225 HE2 HIS 10 HE2 HIS 10 8.058 1.729 -21.527
226 H LEU 11 H LEU 11 5.626 4.808 -15.122
227 HA LEU 11 HA LEU 11 2.768 4.898 -14.798
228 HB2 LEU 11 1HB LEU 11 4.386 4.075 -13.102
229 HB3 LEU 11 2HB LEU 11 5.025 5.701 -12.925
230 HG LEU 11 HG LEU 11 2.967 6.470 -11.900
231 HD11 LEU 11 1HD1 LEU 11 1.936 3.635 -12.295
232 HD12 LEU 11 2HD1 LEU 11 1.299 5.113 -13.065
233 HD13 LEU 11 3HD1 LEU 11 1.155 4.894 -11.313
234 HD21 LEU 11 3HD2 LEU 11 3.874 3.812 -10.722
235 HD22 LEU 11 1HD2 LEU 11 3.116 5.163 -9.845
236 HD23 LEU 11 2HD2 LEU 11 4.734 5.357 -10.549
237 H VAL 12 H VAL 12 5.336 7.355 -14.862
238 HA VAL 12 HA VAL 12 3.690 9.585 -14.198
239 HB VAL 12 HB VAL 12 6.222 9.471 -15.917
240 HG11 VAL 12 1HG1 VAL 12 6.539 11.816 -15.278
241 HG12 VAL 12 2HG1 VAL 12 5.017 11.601 -16.162
242 HG13 VAL 12 3HG1 VAL 12 4.995 11.796 -14.397
243 HG21 VAL 12 3HG2 VAL 12 6.641 8.468 -13.727
244 HG22 VAL 12 1HG2 VAL 12 7.386 10.076 -13.775
245 HG23 VAL 12 2HG2 VAL 12 5.850 9.835 -12.909
246 H GLU 13 H GLU 13 4.572 8.107 -17.353
247 HA GLU 13 HA GLU 13 3.175 10.060 -18.923
248 HB2 GLU 13 1HB GLU 13 3.934 7.188 -19.523
249 HB3 GLU 13 2HB GLU 13 3.248 8.308 -20.709
250 HG2 GLU 13 1HG GLU 13 5.900 8.599 -19.264
251 HG3 GLU 13 2HG GLU 13 5.657 8.235 -20.976
252 HE2 GLU 13 HE2 GLU 13 4.544 11.517 -21.574
253 H ALA 14 H ALA 14 2.113 7.126 -17.267
254 HA ALA 14 HA ALA 14 -0.447 7.019 -18.614
255 HB1 ALA 14 3HB ALA 14 0.580 5.075 -17.447
256 HB2 ALA 14 1HB ALA 14 0.388 5.923 -15.894
257 HB3 ALA 14 2HB ALA 14 -1.047 5.445 -16.833
258 H LEU 15 H LEU 15 0.825 8.521 -15.633
259 HA LEU 15 HA LEU 15 -1.710 9.426 -14.672
260 HB2 LEU 15 1HB LEU 15 1.131 10.345 -14.193
261 HB3 LEU 15 2HB LEU 15 -0.250 11.114 -13.421
262 HG LEU 15 HG LEU 15 0.459 8.184 -13.099
263 HD11 LEU 15 1HD1 LEU 15 1.234 8.755 -10.880
264 HD12 LEU 15 2HD1 LEU 15 0.849 10.470 -11.153
265 HD13 LEU 15 3HD1 LEU 15 2.146 9.686 -12.084
266 HD21 LEU 15 3HD2 LEU 15 -1.909 8.611 -12.836
267 HD22 LEU 15 1HD2 LEU 15 -1.559 9.947 -11.721
268 HD23 LEU 15 2HD2 LEU 15 -1.162 8.269 -11.278
269 H TYR 16 H TYR 16 0.567 10.865 -17.003
270 HA TYR 16 HA TYR 16 -0.620 13.456 -17.101
271 HB2 TYR 16 1HB TYR 16 0.837 11.736 -19.108
272 HB3 TYR 16 2HB TYR 16 0.023 13.203 -19.648
273 HD1 TYR 16 HD1 TYR 16 0.583 15.424 -18.360
274 HD2 TYR 16 HD2 TYR 16 3.072 11.918 -18.307
275 HE1 TYR 16 HE1 TYR 16 2.546 16.813 -17.685
276 HE2 TYR 16 HE2 TYR 16 5.028 13.313 -17.665
277 HH TYR 16 HH TYR 16 5.789 15.410 -17.186
278 H LEU 17 H LEU 17 -1.582 10.385 -18.656
279 HA LEU 17 HA LEU 17 -3.685 11.620 -20.207
280 HB2 LEU 17 1HB LEU 17 -3.357 8.752 -19.279
281 HB3 LEU 17 2HB LEU 17 -4.498 9.323 -20.485
282 HG LEU 17 HG LEU 17 -1.478 9.463 -20.782
283 HD11 LEU 17 1HD1 LEU 17 -3.469 7.459 -21.915
284 HD12 LEU 17 2HD1 LEU 17 -2.270 7.136 -20.637
285 HD13 LEU 17 3HD1 LEU 17 -1.729 7.528 -22.280
286 HD21 LEU 17 3HD2 LEU 17 -3.737 9.871 -22.789
287 HD22 LEU 17 1HD2 LEU 17 -2.003 9.808 -23.188
288 HD23 LEU 17 2HD2 LEU 17 -2.628 11.119 -22.172
289 H VAL 18 H VAL 18 -3.611 9.897 -17.083
290 HA VAL 18 HA VAL 18 -6.501 9.836 -16.890
291 HB VAL 18 HB VAL 18 -4.327 9.312 -14.808
292 HG11 VAL 18 1HG1 VAL 18 -6.429 9.820 -13.676
293 HG12 VAL 18 2HG1 VAL 18 -7.310 8.694 -14.738
294 HG13 VAL 18 3HG1 VAL 18 -6.106 8.085 -13.580
295 HG21 VAL 18 3HG2 VAL 18 -5.938 7.467 -16.626
296 HG22 VAL 18 1HG2 VAL 18 -4.186 7.752 -16.676
297 HG23 VAL 18 2HG2 VAL 18 -4.902 6.916 -15.296
298 H CYS 19 H CYS 19 -3.944 11.817 -15.356
299 HA CYS 19 HA CYS 19 -5.977 13.314 -13.858
300 HB2 CYS 19 1HB CYS 19 -2.997 13.782 -14.151
301 HB3 CYS 19 2HB CYS 19 -4.068 14.509 -12.942
302 H GLY 20 H GLY 20 -4.569 13.395 -16.994
303 HA2 GLY 20 1HA GLY 20 -4.785 14.907 -18.696
304 HA3 GLY 20 2HA GLY 20 -6.276 15.380 -17.885
305 H GLU 21 H GLU 21 -6.355 17.456 -18.179
306 HA GLU 21 HA GLU 21 -4.081 19.206 -18.190
307 HB2 GLU 21 1HB GLU 21 -7.018 19.918 -17.820
308 HB3 GLU 21 2HB GLU 21 -5.730 20.982 -18.374
309 HG2 GLU 21 1HG GLU 21 -6.774 20.470 -20.369
310 HG3 GLU 21 2HG GLU 21 -5.480 19.264 -20.348
311 HE2 GLU 21 HE2 GLU 21 -7.215 18.699 -21.843
312 H ARG 22 H ARG 22 -5.773 17.843 -15.537
313 HA ARG 22 HA ARG 22 -5.635 20.215 -13.820
314 HB2 ARG 22 1HB ARG 22 -6.257 17.294 -13.251
315 HB3 ARG 22 2HB ARG 22 -6.222 18.548 -12.019
316 HG2 ARG 22 1HG ARG 22 -8.493 18.408 -12.504
317 HG3 ARG 22 2HG ARG 22 -7.976 19.797 -13.466
318 HD2 ARG 22 1HD ARG 22 -9.497 18.404 -14.772
319 HD3 ARG 22 2HD ARG 22 -7.879 18.336 -15.488
320 HE ARG 22 HE ARG 22 -8.236 16.197 -13.612
321 HH11 ARG 22 1HH1 ARG 22 -9.117 17.116 -16.917
322 HH12 ARG 22 2HH1 ARG 22 -9.291 15.455 -17.417
323 HH21 ARG 22 1HH2 ARG 22 -8.471 14.117 -14.339
324 HH22 ARG 22 2HH2 ARG 22 -8.918 13.790 -15.987
325 H GLY 23 H GLY 23 -3.505 17.660 -14.767
326 HA2 GLY 23 1HA GLY 23 -1.236 17.501 -14.279
327 HA3 GLY 23 2HA GLY 23 -1.404 18.809 -13.096
328 H PHE 24 H PHE 24 0.202 16.948 -12.253
329 HA PHE 24 HA PHE 24 -1.164 15.663 -10.030
330 HB2 PHE 24 1HB PHE 24 -0.531 13.379 -10.583
331 HB3 PHE 24 2HB PHE 24 -1.585 14.019 -11.841
332 HD1 PHE 24 HD1 PHE 24 -0.677 14.659 -14.057
333 HD2 PHE 24 HD2 PHE 24 1.733 12.748 -11.066
334 HE1 PHE 24 HE1 PHE 24 1.006 14.089 -15.782
335 HE2 PHE 24 HE2 PHE 24 3.407 12.141 -12.785
336 HZ PHE 24 HZ PHE 24 3.050 12.823 -15.168
337 H PHE 25 H PHE 25 0.672 14.225 -8.915
338 HA PHE 25 HA PHE 25 3.360 15.355 -9.478
339 HB2 PHE 25 1HB PHE 25 3.805 15.838 -7.198
340 HB3 PHE 25 2HB PHE 25 2.241 16.591 -7.525
341 HD1 PHE 25 HD1 PHE 25 0.114 15.343 -6.761
342 HD2 PHE 25 HD2 PHE 25 4.076 14.220 -5.497
343 HE1 PHE 25 HE1 PHE 25 -0.860 14.048 -4.876
344 HE2 PHE 25 HE2 PHE 25 3.109 12.939 -3.595
345 HZ PHE 25 HZ PHE 25 0.635 12.845 -3.283
346 H TYR 26 H TYR 26 5.025 13.913 -8.342
347 HA TYR 26 HA TYR 26 4.035 11.220 -7.676
348 HB2 TYR 26 1HB TYR 26 4.318 11.185 -10.153
349 HB3 TYR 26 2HB TYR 26 5.992 11.725 -9.960
350 HD1 TYR 26 HD2 TYR 26 3.796 9.045 -8.418
351 HD2 TYR 26 HD1 TYR 26 7.569 10.013 -10.259
352 HE1 TYR 26 HE2 TYR 26 4.545 6.684 -8.147
353 HE2 TYR 26 HE1 TYR 26 8.290 7.634 -10.007
354 HH TYR 26 HH TYR 26 7.657 5.503 -9.390
355 H THR 27 H THR 27 5.671 10.025 -6.532
356 HA THR 27 HA THR 27 7.975 11.713 -5.654
357 HB THR 27 HB THR 27 6.636 11.643 -3.748
358 HG1 THR 27 HG1 THR 27 8.642 10.936 -3.142
359 HG21 THR 27 1HG2 THR 27 5.983 8.787 -4.514
360 HG22 THR 27 2HG2 THR 27 4.880 10.176 -4.375
361 HG23 THR 27 3HG2 THR 27 5.606 9.474 -2.918
362 HA PRO 28 HA PRO 28 9.726 7.916 -7.538
363 HB2 PRO 28 1HB PRO 28 11.769 9.110 -8.876
364 HB3 PRO 28 2HB PRO 28 10.095 9.142 -9.516
365 HG2 PRO 28 1HG PRO 28 11.569 11.240 -7.955
366 HG3 PRO 28 2HG PRO 28 10.626 11.412 -9.467
367 HD2 PRO 28 1HD PRO 28 9.598 11.985 -6.999
368 HD3 PRO 28 2HD PRO 28 8.580 11.331 -8.326
369 H LYS 29 H LYS 29 11.927 6.976 -7.155
370 HA LYS 29 HA LYS 29 13.451 8.340 -4.986
371 HB2 LYS 29 1HB LYS 29 12.365 5.496 -4.975
372 HB3 LYS 29 2HB LYS 29 13.650 6.055 -3.885
373 HG2 LYS 29 1HG LYS 29 12.192 7.641 -2.840
374 HG3 LYS 29 2HG LYS 29 10.973 7.444 -4.097
375 HD2 LYS 29 1HD LYS 29 10.511 5.167 -3.358
376 HD3 LYS 29 2HD LYS 29 11.732 5.331 -2.074
377 HE2 LYS 29 1HE LYS 29 9.434 5.770 -1.217
378 HE3 LYS 29 2HE LYS 29 10.478 7.197 -1.081
379 HZ1 LYS 29 3HZ LYS 29 9.436 8.090 -3.095
380 HZ2 LYS 29 1HZ LYS 29 8.292 7.792 -1.949
381 HZ3 LYS 29 2HZ LYS 29 8.465 6.769 -3.231
382 H THR 30 H THR 30 15.511 8.375 -5.451
383 HA THR 30 HA THR 30 16.878 6.420 -7.086
384 HB THR 30 HB THR 30 15.643 7.652 -8.869
385 HG1 THR 30 HG1 THR 30 17.632 8.455 -9.950
386 HG21 THR 30 1HG2 THR 30 17.119 10.154 -7.851
387 HG22 THR 30 2HG2 THR 30 15.369 9.884 -7.748
388 HG23 THR 30 3HG2 THR 30 16.147 10.051 -9.325
389 HXT THR 30 H02 THR 30 18.850 7.485 -7.691
Start of MODEL 50
1 H1 GLY 1 3H0 GLY 1 1.120 -2.114 -1.959
2 H2 GLY 1 2H0 GLY 1 0.656 -1.740 -0.421
3 H3 GLY 1 1H0 GLY 1 -0.447 -1.700 -1.649
4 HA2 GLY 1 1HA GLY 1 0.236 0.524 -0.998
5 HA3 GLY 1 2HA GLY 1 1.900 0.071 -1.422
6 H ILE 2 H ILE 2 -0.026 2.153 -2.567
7 HA ILE 2 HA ILE 2 -1.209 1.217 -4.905
8 HB ILE 2 HB ILE 2 -1.707 3.378 -3.791
9 HG12 ILE 2 1HG1 ILE 2 -1.016 3.658 -6.730
10 HG13 ILE 2 2HG1 ILE 2 -2.447 2.851 -6.094
11 HG21 ILE 2 1HG2 ILE 2 -0.352 5.369 -4.065
12 HG22 ILE 2 2HG2 ILE 2 0.716 4.104 -3.437
13 HG23 ILE 2 3HG2 ILE 2 0.770 4.541 -5.162
14 HD11 ILE 2 3HD1 ILE 2 -3.153 5.037 -5.049
15 HD12 ILE 2 1HD1 ILE 2 -1.776 5.821 -5.873
16 HD13 ILE 2 2HD1 ILE 2 -3.067 5.072 -6.824
17 H VAL 3 H VAL 3 2.119 2.506 -4.607
18 HA VAL 3 HA VAL 3 2.596 2.430 -7.421
19 HB VAL 3 HB VAL 3 3.952 3.789 -5.888
20 HG11 VAL 3 1HG1 VAL 3 5.626 2.829 -4.392
21 HG12 VAL 3 2HG1 VAL 3 4.014 2.230 -3.948
22 HG13 VAL 3 3HG1 VAL 3 5.148 1.183 -4.847
23 HG21 VAL 3 3HG2 VAL 3 4.885 3.092 -8.086
24 HG22 VAL 3 1HG2 VAL 3 6.149 3.349 -6.864
25 HG23 VAL 3 2HG2 VAL 3 5.659 1.696 -7.306
26 H GLU 4 H GLU 4 2.898 -0.064 -4.897
27 HA GLU 4 HA GLU 4 4.325 -1.937 -6.570
28 HB2 GLU 4 1HB GLU 4 2.482 -2.366 -4.192
29 HB3 GLU 4 2HB GLU 4 3.448 -3.635 -4.940
30 HG2 GLU 4 1HG GLU 4 5.469 -2.711 -4.192
31 HG3 GLU 4 2HG GLU 4 4.734 -1.137 -3.852
32 HE2 GLU 4 HE2 GLU 4 4.978 -3.738 -1.056
33 H GLN 5 H GLN 5 0.899 -1.296 -5.823
34 HA GLN 5 HA GLN 5 -0.175 -3.505 -7.265
35 HB2 GLN 5 1HB GLN 5 -1.305 -0.812 -6.457
36 HB3 GLN 5 2HB GLN 5 -2.279 -2.068 -7.236
37 HG2 GLN 5 1HG GLN 5 -2.122 -3.524 -5.400
38 HG3 GLN 5 2HG GLN 5 -0.685 -2.725 -4.753
39 HE21 GLN 5 2HE2 GLN 5 -4.153 -2.149 -5.383
40 HE22 GLN 5 1HE2 GLN 5 -4.393 -1.136 -3.980
41 H CYS 6 H CYS 6 0.915 -0.315 -8.364
42 HA CYS 6 HA CYS 6 -0.153 -0.802 -11.065
43 HB2 CYS 6 1HB CYS 6 1.638 1.353 -9.895
44 HB3 CYS 6 2HB CYS 6 1.183 1.270 -11.599
45 H CYS 7 H CYS 7 2.904 -1.253 -9.326
46 HA CYS 7 HA CYS 7 4.420 -1.453 -11.796
47 HB2 CYS 7 1HB CYS 7 4.988 -1.391 -8.923
48 HB3 CYS 7 2HB CYS 7 5.995 -2.546 -9.795
49 H THR 8 H THR 8 3.492 -3.831 -9.230
50 HA THR 8 HA THR 8 4.749 -5.953 -10.844
51 HB THR 8 HB THR 8 4.939 -5.746 -8.279
52 HG1 THR 8 HG1 THR 8 5.483 -7.632 -9.532
53 HG21 THR 8 1HG2 THR 8 3.238 -6.676 -6.907
54 HG22 THR 8 2HG2 THR 8 2.302 -7.242 -8.305
55 HG23 THR 8 3HG2 THR 8 2.401 -5.506 -7.944
56 H SER 9 H SER 9 1.639 -4.560 -10.380
57 HA SER 9 HA SER 9 0.516 -6.683 -12.108
58 HB2 SER 9 1HB SER 9 -1.571 -6.681 -10.649
59 HB3 SER 9 2HB SER 9 -0.142 -7.337 -9.826
60 HG SER 9 HG SER 9 -0.931 -4.610 -9.591
61 H ILE 10 H ILE 10 -2.032 -5.770 -12.453
62 HA ILE 10 HA ILE 10 -1.407 -3.208 -13.818
63 HB ILE 10 HB ILE 10 -3.950 -4.890 -14.046
64 HG12 ILE 10 1HG1 ILE 10 -1.982 -6.266 -14.694
65 HG13 ILE 10 2HG1 ILE 10 -3.118 -5.969 -16.000
66 HG21 ILE 10 1HG2 ILE 10 -4.223 -2.585 -14.838
67 HG22 ILE 10 2HG2 ILE 10 -2.747 -2.701 -15.825
68 HG23 ILE 10 3HG2 ILE 10 -4.186 -3.670 -16.235
69 HD11 ILE 10 3HD1 ILE 10 -1.659 -4.435 -17.079
70 HD12 ILE 10 1HD1 ILE 10 -0.584 -4.347 -15.673
71 HD13 ILE 10 2HD1 ILE 10 -0.682 -5.843 -16.631
72 H CYS 11 H CYS 11 -2.214 -1.299 -13.062
73 HA CYS 11 HA CYS 11 -4.445 -1.467 -11.085
74 HB2 CYS 11 1HB CYS 11 -3.712 0.649 -10.188
75 HB3 CYS 11 2HB CYS 11 -2.372 -0.492 -10.148
76 H SER 12 H SER 12 -6.285 -0.309 -11.595
77 HA SER 12 HA SER 12 -6.596 0.245 -14.441
78 HB2 SER 12 1HB SER 12 -8.955 0.595 -13.841
79 HB3 SER 12 2HB SER 12 -8.345 -0.899 -13.098
80 HG SER 12 HG SER 12 -9.389 0.181 -11.494
81 H LEU 13 H LEU 13 -7.858 2.300 -15.054
82 HA LEU 13 HA LEU 13 -6.279 4.570 -14.446
83 HB2 LEU 13 1HB LEU 13 -7.850 5.836 -15.713
84 HB3 LEU 13 2HB LEU 13 -7.635 4.275 -16.487
85 HG LEU 13 HG LEU 13 -9.870 3.787 -14.976
86 HD11 LEU 13 1HD1 LEU 13 -10.044 6.122 -14.218
87 HD12 LEU 13 2HD1 LEU 13 -11.383 5.718 -15.302
88 HD13 LEU 13 3HD1 LEU 13 -10.021 6.688 -15.906
89 HD21 LEU 13 3HD2 LEU 13 -11.112 4.049 -17.082
90 HD22 LEU 13 1HD2 LEU 13 -9.553 3.241 -17.340
91 HD23 LEU 13 2HD2 LEU 13 -9.749 4.958 -17.778
92 H TYR 14 H TYR 14 -9.151 3.275 -12.853
93 HA TYR 14 HA TYR 14 -9.827 5.636 -11.393
94 HB2 TYR 14 1HB TYR 14 -10.246 2.763 -10.536
95 HB3 TYR 14 2HB TYR 14 -11.207 4.175 -10.082
96 HD1 TYR 14 HD2 TYR 14 -12.398 5.442 -12.092
97 HD2 TYR 14 HD1 TYR 14 -10.900 1.415 -12.333
98 HE1 TYR 14 HE2 TYR 14 -13.870 5.007 -14.060
99 HE2 TYR 14 HE1 TYR 14 -12.358 0.999 -14.326
100 HH TYR 14 HH TYR 14 -14.570 3.479 -15.615
101 H GLN 15 H GLN 15 -7.618 2.925 -10.777
102 HA GLN 15 HA GLN 15 -6.971 3.728 -8.076
103 HB2 GLN 15 1HB GLN 15 -5.345 2.123 -10.080
104 HB3 GLN 15 2HB GLN 15 -5.032 2.228 -8.347
105 HG2 GLN 15 1HG GLN 15 -7.486 1.013 -9.678
106 HG3 GLN 15 2HG GLN 15 -6.158 0.129 -8.920
107 HE21 GLN 15 2HE2 GLN 15 -5.843 0.454 -6.574
108 HE22 GLN 15 1HE2 GLN 15 -7.253 0.781 -5.594
109 H LEU 16 H LEU 16 -5.684 4.368 -11.317
110 HA LEU 16 HA LEU 16 -3.394 5.851 -10.493
111 HB2 LEU 16 1HB LEU 16 -5.017 5.868 -13.036
112 HB3 LEU 16 2HB LEU 16 -3.588 6.867 -12.822
113 HG LEU 16 HG LEU 16 -3.582 3.840 -12.566
114 HD11 LEU 16 1HD1 LEU 16 -2.523 3.819 -14.779
115 HD12 LEU 16 2HD1 LEU 16 -2.742 5.581 -14.911
116 HD13 LEU 16 3HD1 LEU 16 -4.156 4.502 -14.856
117 HD21 LEU 16 3HD2 LEU 16 -1.727 4.901 -11.371
118 HD22 LEU 16 1HD2 LEU 16 -1.331 5.881 -12.802
119 HD23 LEU 16 2HD2 LEU 16 -1.125 4.114 -12.837
120 H GLU 17 H GLU 17 -6.790 6.851 -10.866
121 HA GLU 17 HA GLU 17 -6.399 9.647 -10.895
122 HB2 GLU 17 1HB GLU 17 -8.608 7.953 -9.723
123 HB3 GLU 17 2HB GLU 17 -8.657 9.713 -9.703
124 HG2 GLU 17 1HG GLU 17 -8.612 9.805 -12.120
125 HG3 GLU 17 2HG GLU 17 -8.406 8.058 -12.221
126 HE2 GLU 17 HE2 GLU 17 -11.925 9.444 -11.047
127 H ASN 18 H ASN 18 -5.944 7.435 -8.207
128 HA ASN 18 HA ASN 18 -6.225 9.348 -6.089
129 HB2 ASN 18 1HB ASN 18 -4.643 6.779 -6.307
130 HB3 ASN 18 2HB ASN 18 -4.744 7.731 -4.821
131 HD21 ASN 18 2HD2 ASN 18 -6.294 5.454 -6.857
132 HD22 ASN 18 1HD2 ASN 18 -7.761 5.292 -5.911
133 H TYR 19 H TYR 19 -3.613 8.794 -8.384
134 HA TYR 19 HA TYR 19 -1.551 10.140 -6.794
135 HB2 TYR 19 1HB TYR 19 -1.840 9.403 -9.702
136 HB3 TYR 19 2HB TYR 19 -0.424 10.214 -9.080
137 HD1 TYR 19 HD2 TYR 19 1.184 9.082 -7.627
138 HD2 TYR 19 HD1 TYR 19 -2.185 7.011 -9.298
139 HE1 TYR 19 HE2 TYR 19 2.287 6.901 -7.166
140 HE2 TYR 19 HE1 TYR 19 -1.082 4.832 -8.846
141 HH TYR 19 HH TYR 19 2.193 4.650 -7.414
142 H CYS 20 H CYS 20 -4.277 11.256 -8.592
143 HA CYS 20 HA CYS 20 -2.993 13.447 -9.942
144 HB2 CYS 20 1HB CYS 20 -5.918 13.097 -9.242
145 HB3 CYS 20 2HB CYS 20 -5.254 14.234 -10.416
146 H ASN 21 H ASN 21 -3.258 15.639 -9.645
147 HA ASN 21 HA ASN 21 -3.113 16.556 -6.866
148 HB2 ASN 21 1HB ASN 21 -1.617 17.593 -8.524
149 HB3 ASN 21 2HB ASN 21 -2.988 17.955 -9.575
150 HD21 ASN 21 2HD2 ASN 21 -3.448 20.002 -9.612
151 HD22 ASN 21 1HD2 ASN 21 -3.460 21.055 -8.211
152 HXT ASN 21 H02 ASN 21 -4.482 17.340 -5.908
153 H1 PHE 1 3H0 PHE 1 -9.194 3.448 -21.607
154 H2 PHE 1 2H0 PHE 1 -8.656 2.675 -22.963
155 H3 PHE 1 1H0 PHE 1 -9.392 1.817 -21.766
156 HA PHE 1 HA PHE 1 -6.801 3.201 -21.548
157 HB2 PHE 1 1HB PHE 1 -8.375 3.051 -19.495
158 HB3 PHE 1 2HB PHE 1 -8.048 1.315 -19.525
159 HD1 PHE 1 HD1 PHE 1 -6.368 4.672 -19.348
160 HD2 PHE 1 HD2 PHE 1 -6.091 0.458 -18.472
161 HE1 PHE 1 HE1 PHE 1 -4.263 5.076 -18.082
162 HE2 PHE 1 HE2 PHE 1 -3.990 0.862 -17.197
163 HZ PHE 1 HZ PHE 1 -3.062 3.170 -17.022
164 H VAL 2 H VAL 2 -4.992 1.547 -21.128
165 HA VAL 2 HA VAL 2 -5.632 -1.081 -22.381
166 HB VAL 2 HB VAL 2 -4.620 0.333 -24.156
167 HG11 VAL 2 1HG1 VAL 2 -2.316 1.189 -23.978
168 HG12 VAL 2 2HG1 VAL 2 -3.366 1.936 -22.761
169 HG13 VAL 2 3HG1 VAL 2 -2.233 0.648 -22.288
170 HG21 VAL 2 3HG2 VAL 2 -2.636 -1.744 -23.132
171 HG22 VAL 2 1HG2 VAL 2 -4.100 -2.092 -24.087
172 HG23 VAL 2 2HG2 VAL 2 -2.782 -1.142 -24.799
173 H ASN 3 H ASN 3 -4.650 -2.783 -21.332
174 HA ASN 3 HA ASN 3 -3.630 -2.113 -18.690
175 HB2 ASN 3 1HB ASN 3 -3.984 -4.770 -20.121
176 HB3 ASN 3 2HB ASN 3 -3.378 -4.603 -18.467
177 HD21 ASN 3 2HD2 ASN 3 -5.739 -6.019 -19.255
178 HD22 ASN 3 1HD2 ASN 3 -7.095 -5.212 -18.506
179 H GLN 4 H GLN 4 -1.636 -1.867 -18.087
180 HA GLN 4 HA GLN 4 0.481 -3.579 -19.090
181 HB2 GLN 4 1HB GLN 4 1.989 -1.644 -19.646
182 HB3 GLN 4 2HB GLN 4 0.688 -1.871 -20.820
183 HG2 GLN 4 1HG GLN 4 -0.575 -0.029 -19.834
184 HG3 GLN 4 2HG GLN 4 0.654 0.182 -18.589
185 HE21 GLN 4 2HE2 GLN 4 -0.395 1.127 -21.639
186 HE22 GLN 4 1HE2 GLN 4 1.035 2.001 -22.130
187 H HIS 5 H HIS 5 2.131 -3.564 -17.504
188 HA HIS 5 HA HIS 5 1.450 -2.428 -14.901
189 HB2 HIS 5 1HB HIS 5 4.085 -3.577 -15.910
190 HB3 HIS 5 2HB HIS 5 3.668 -3.231 -14.232
191 HD1 HIS 5 HD1 HIS 5 1.014 -4.513 -13.787
192 HD2 HIS 5 HD2 HIS 5 3.924 -6.283 -16.133
193 HE1 HIS 5 HE1 HIS 5 0.460 -7.015 -13.944
194 HE2 HIS 5 HE2 HIS 5 2.269 -8.059 -15.341
195 H LEU 6 H LEU 6 2.441 -0.644 -13.896
196 HA LEU 6 HA LEU 6 3.867 1.221 -15.768
197 HB2 LEU 6 1HB LEU 6 1.748 1.707 -13.666
198 HB3 LEU 6 2HB LEU 6 2.800 2.958 -14.237
199 HG LEU 6 HG LEU 6 1.047 3.514 -15.442
200 HD11 LEU 6 1HD1 LEU 6 0.994 2.637 -17.723
201 HD12 LEU 6 2HD1 LEU 6 2.016 1.272 -17.234
202 HD13 LEU 6 3HD1 LEU 6 2.647 2.932 -17.173
203 HD21 LEU 6 3HD2 LEU 6 0.162 0.625 -15.492
204 HD22 LEU 6 1HD2 LEU 6 -0.744 1.991 -16.180
205 HD23 LEU 6 2HD2 LEU 6 -0.446 1.916 -14.434
206 H CYS 7 H CYS 7 5.925 1.408 -15.130
207 HA CYS 7 HA CYS 7 6.409 1.990 -12.237
208 HB2 CYS 7 1HB CYS 7 8.129 0.289 -14.086
209 HB3 CYS 7 2HB CYS 7 8.627 0.863 -12.493
210 H GLY 8 H GLY 8 8.120 3.483 -11.863
211 HA2 GLY 8 1HA GLY 8 9.427 5.317 -12.368
212 HA3 GLY 8 2HA GLY 8 9.951 4.370 -13.766
213 H SER 9 H SER 9 9.986 5.703 -15.442
214 HA SER 9 HA SER 9 8.340 7.973 -15.784
215 HB2 SER 9 1HB SER 9 10.471 7.603 -16.966
216 HB3 SER 9 2HB SER 9 9.722 6.294 -17.908
217 HG SER 9 HG SER 9 9.765 8.399 -18.950
218 H HIS 10 H HIS 10 7.705 4.567 -16.723
219 HA HIS 10 HA HIS 10 5.570 5.199 -18.533
220 HB2 HIS 10 1HB HIS 10 6.544 2.787 -17.138
221 HB3 HIS 10 2HB HIS 10 4.810 2.794 -17.454
222 HD1 HIS 10 HD1 HIS 10 4.112 1.916 -19.722
223 HD2 HIS 10 HD2 HIS 10 8.043 3.404 -19.684
224 HE1 HIS 10 HE1 HIS 10 5.088 1.512 -22.035
225 HE2 HIS 10 HE2 HIS 10 7.452 2.413 -21.999
226 H LEU 11 H LEU 11 5.684 4.926 -15.001
227 HA LEU 11 HA LEU 11 2.818 4.962 -14.662
228 HB2 LEU 11 1HB LEU 11 4.464 4.196 -12.956
229 HB3 LEU 11 2HB LEU 11 5.036 5.844 -12.786
230 HG LEU 11 HG LEU 11 2.964 6.542 -11.760
231 HD11 LEU 11 1HD1 LEU 11 1.343 5.123 -12.953
232 HD12 LEU 11 2HD1 LEU 11 1.178 4.951 -11.198
233 HD13 LEU 11 3HD1 LEU 11 1.997 3.680 -12.133
234 HD21 LEU 11 3HD2 LEU 11 3.154 5.230 -9.717
235 HD22 LEU 11 1HD2 LEU 11 4.766 5.439 -10.428
236 HD23 LEU 11 2HD2 LEU 11 3.915 3.884 -10.602
237 H VAL 12 H VAL 12 5.365 7.445 -14.733
238 HA VAL 12 HA VAL 12 3.668 9.679 -14.207
239 HB VAL 12 HB VAL 12 6.268 9.502 -15.813
240 HG11 VAL 12 1HG1 VAL 12 6.556 11.870 -15.354
241 HG12 VAL 12 2HG1 VAL 12 5.031 11.602 -16.221
242 HG13 VAL 12 3HG1 VAL 12 5.012 11.913 -14.476
243 HG21 VAL 12 3HG2 VAL 12 7.339 10.230 -13.678
244 HG22 VAL 12 1HG2 VAL 12 5.767 10.068 -12.860
245 HG23 VAL 12 2HG2 VAL 12 6.572 8.639 -13.547
246 H GLU 13 H GLU 13 4.658 8.085 -17.259
247 HA GLU 13 HA GLU 13 3.420 9.959 -19.027
248 HB2 GLU 13 1HB GLU 13 4.103 7.015 -19.280
249 HB3 GLU 13 2HB GLU 13 3.434 7.956 -20.619
250 HG2 GLU 13 1HG GLU 13 5.361 9.410 -20.660
251 HG3 GLU 13 2HG GLU 13 6.005 8.694 -19.183
252 HE2 GLU 13 HE2 GLU 13 6.492 8.871 -22.118
253 H ALA 14 H ALA 14 2.183 7.092 -17.321
254 HA ALA 14 HA ALA 14 -0.323 7.039 -18.766
255 HB1 ALA 14 3HB ALA 14 0.430 5.923 -16.031
256 HB2 ALA 14 1HB ALA 14 -1.019 5.491 -16.972
257 HB3 ALA 14 2HB ALA 14 0.600 5.073 -17.585
258 H LEU 15 H LEU 15 0.847 8.519 -15.751
259 HA LEU 15 HA LEU 15 -1.719 9.360 -14.838
260 HB2 LEU 15 1HB LEU 15 1.104 10.240 -14.242
261 HB3 LEU 15 2HB LEU 15 -0.291 10.997 -13.477
262 HG LEU 15 HG LEU 15 0.296 8.031 -13.305
263 HD11 LEU 15 1HD1 LEU 15 2.071 9.353 -12.207
264 HD12 LEU 15 2HD1 LEU 15 1.083 8.445 -11.043
265 HD13 LEU 15 3HD1 LEU 15 0.829 10.192 -11.247
266 HD21 LEU 15 3HD2 LEU 15 -1.325 8.149 -11.456
267 HD22 LEU 15 1HD2 LEU 15 -2.038 8.561 -13.016
268 HD23 LEU 15 2HD2 LEU 15 -1.630 9.854 -11.869
269 H TYR 16 H TYR 16 0.539 10.884 -17.108
270 HA TYR 16 HA TYR 16 -0.643 13.485 -17.075
271 HB2 TYR 16 1HB TYR 16 0.759 11.858 -19.204
272 HB3 TYR 16 2HB TYR 16 -0.014 13.390 -19.613
273 HD1 TYR 16 HD1 TYR 16 0.628 15.470 -18.108
274 HD2 TYR 16 HD2 TYR 16 3.017 11.915 -18.483
275 HE1 TYR 16 HE1 TYR 16 2.642 16.736 -17.352
276 HE2 TYR 16 HE2 TYR 16 5.031 13.198 -17.756
277 HH TYR 16 HH TYR 16 5.855 15.211 -17.070
278 H LEU 17 H LEU 17 -1.590 10.475 -18.750
279 HA LEU 17 HA LEU 17 -3.733 11.752 -20.205
280 HB2 LEU 17 1HB LEU 17 -3.353 8.848 -19.432
281 HB3 LEU 17 2HB LEU 17 -4.504 9.467 -20.601
282 HG LEU 17 HG LEU 17 -1.487 9.673 -20.895
283 HD11 LEU 17 1HD1 LEU 17 -3.439 7.692 -22.133
284 HD12 LEU 17 2HD1 LEU 17 -2.238 7.326 -20.869
285 HD13 LEU 17 3HD1 LEU 17 -1.701 7.815 -22.489
286 HD21 LEU 17 3HD2 LEU 17 -3.753 10.139 -22.879
287 HD22 LEU 17 1HD2 LEU 17 -2.019 10.133 -23.278
288 HD23 LEU 17 2HD2 LEU 17 -2.672 11.377 -22.196
289 H VAL 18 H VAL 18 -3.611 9.834 -17.185
290 HA VAL 18 HA VAL 18 -6.490 9.742 -16.954
291 HB VAL 18 HB VAL 18 -4.310 9.207 -14.875
292 HG11 VAL 18 1HG1 VAL 18 -7.286 8.535 -14.844
293 HG12 VAL 18 2HG1 VAL 18 -6.086 7.894 -13.700
294 HG13 VAL 18 3HG1 VAL 18 -6.428 9.630 -13.737
295 HG21 VAL 18 3HG2 VAL 18 -4.128 7.698 -16.788
296 HG22 VAL 18 1HG2 VAL 18 -4.808 6.813 -15.416
297 HG23 VAL 18 2HG2 VAL 18 -5.870 7.354 -16.731
298 H CYS 19 H CYS 19 -3.954 11.741 -15.401
299 HA CYS 19 HA CYS 19 -6.010 13.151 -13.857
300 HB2 CYS 19 1HB CYS 19 -3.043 13.693 -14.155
301 HB3 CYS 19 2HB CYS 19 -4.131 14.416 -12.958
302 H GLY 20 H GLY 20 -4.568 13.448 -17.002
303 HA2 GLY 20 1HA GLY 20 -4.702 15.134 -18.558
304 HA3 GLY 20 2HA GLY 20 -6.271 15.462 -17.821
305 H GLU 21 H GLU 21 -6.460 17.558 -17.773
306 HA GLU 21 HA GLU 21 -4.277 19.389 -17.480
307 HB2 GLU 21 1HB GLU 21 -7.269 19.843 -17.145
308 HB3 GLU 21 2HB GLU 21 -6.048 21.093 -17.362
309 HG2 GLU 21 1HG GLU 21 -6.910 20.916 -19.504
310 HG3 GLU 21 2HG GLU 21 -5.494 19.862 -19.606
311 HE2 GLU 21 HE2 GLU 21 -8.028 18.006 -21.115
312 H ARG 22 H ARG 22 -6.031 17.662 -15.033
313 HA ARG 22 HA ARG 22 -5.944 19.761 -13.014
314 HB2 ARG 22 1HB ARG 22 -6.353 16.749 -12.869
315 HB3 ARG 22 2HB ARG 22 -6.317 17.784 -11.448
316 HG2 ARG 22 1HG ARG 22 -8.602 17.531 -11.880
317 HG3 ARG 22 2HG ARG 22 -8.212 19.132 -12.517
318 HD2 ARG 22 1HD ARG 22 -9.721 17.980 -14.039
319 HD3 ARG 22 2HD ARG 22 -8.149 18.199 -14.817
320 HE ARG 22 HE ARG 22 -8.253 15.645 -13.531
321 HH11 ARG 22 1HH1 ARG 22 -9.479 17.292 -16.404
322 HH12 ARG 22 2HH1 ARG 22 -9.609 15.811 -17.311
323 HH21 ARG 22 1HH2 ARG 22 -8.449 13.787 -14.758
324 HH22 ARG 22 2HH2 ARG 22 -9.041 13.867 -16.391
325 H GLY 23 H GLY 23 -3.708 17.428 -14.286
326 HA2 GLY 23 1HA GLY 23 -1.424 17.315 -13.884
327 HA3 GLY 23 2HA GLY 23 -1.593 18.527 -12.601
328 H PHE 24 H PHE 24 0.105 16.618 -11.998
329 HA PHE 24 HA PHE 24 -1.161 15.150 -9.823
330 HB2 PHE 24 1HB PHE 24 -0.499 12.941 -10.557
331 HB3 PHE 24 2HB PHE 24 -1.572 13.651 -11.755
332 HD1 PHE 24 HD1 PHE 24 -0.711 14.435 -13.928
333 HD2 PHE 24 HD2 PHE 24 1.783 12.415 -11.075
334 HE1 PHE 24 HE1 PHE 24 0.962 14.008 -15.698
335 HE2 PHE 24 HE2 PHE 24 3.446 11.952 -12.847
336 HZ PHE 24 HZ PHE 24 3.044 12.766 -15.182
337 H PHE 25 H PHE 25 0.680 13.710 -8.839
338 HA PHE 25 HA PHE 25 3.336 14.986 -9.263
339 HB2 PHE 25 1HB PHE 25 3.643 15.157 -6.827
340 HB3 PHE 25 2HB PHE 25 2.274 16.149 -7.348
341 HD1 PHE 25 HD1 PHE 25 -0.089 15.319 -6.958
342 HD2 PHE 25 HD2 PHE 25 3.356 13.362 -5.272
343 HE1 PHE 25 HE1 PHE 25 -1.568 14.116 -5.376
344 HE2 PHE 25 HE2 PHE 25 1.889 12.167 -3.656
345 HZ PHE 25 HZ PHE 25 -0.575 12.526 -3.710
346 H TYR 26 H TYR 26 5.043 13.564 -8.272
347 HA TYR 26 HA TYR 26 4.167 10.812 -7.678
348 HB2 TYR 26 1HB TYR 26 4.455 10.753 -10.112
349 HB3 TYR 26 2HB TYR 26 6.046 11.518 -9.970
350 HD1 TYR 26 HD1 TYR 26 4.208 8.521 -8.559
351 HD2 TYR 26 HD2 TYR 26 7.918 10.106 -10.069
352 HE1 TYR 26 HE1 TYR 26 5.295 6.295 -8.254
353 HE2 TYR 26 HE2 TYR 26 8.978 7.864 -9.799
354 HH TYR 26 HH TYR 26 8.710 5.705 -9.094
355 H THR 27 H THR 27 5.634 9.757 -6.383
356 HA THR 27 HA THR 27 7.869 11.435 -5.369
357 HB THR 27 HB THR 27 6.740 11.034 -3.438
358 HG1 THR 27 HG1 THR 27 8.602 9.914 -3.024
359 HG21 THR 27 1HG2 THR 27 4.813 10.004 -4.368
360 HG22 THR 27 2HG2 THR 27 5.386 8.949 -3.063
361 HG23 THR 27 3HG2 THR 27 5.719 8.516 -4.759
362 HA PRO 28 HA PRO 28 10.013 8.205 -7.703
363 HB2 PRO 28 1HB PRO 28 12.365 9.524 -8.071
364 HB3 PRO 28 2HB PRO 28 10.874 9.970 -8.963
365 HG2 PRO 28 1HG PRO 28 12.081 11.226 -6.532
366 HG3 PRO 28 2HG PRO 28 11.425 12.002 -8.005
367 HD2 PRO 28 1HD PRO 28 10.028 11.733 -5.646
368 HD3 PRO 28 2HD PRO 28 9.212 11.796 -7.242
369 H LYS 29 H LYS 29 11.811 6.780 -7.307
370 HA LYS 29 HA LYS 29 13.006 6.941 -4.580
371 HB2 LYS 29 1HB LYS 29 11.374 4.631 -5.713
372 HB3 LYS 29 2HB LYS 29 12.396 4.507 -4.270
373 HG2 LYS 29 1HG LYS 29 11.046 6.128 -3.087
374 HG3 LYS 29 2HG LYS 29 10.132 6.499 -4.555
375 HD2 LYS 29 1HD LYS 29 9.201 4.238 -4.592
376 HD3 LYS 29 2HD LYS 29 10.102 3.841 -3.111
377 HE2 LYS 29 1HE LYS 29 7.769 4.470 -2.582
378 HE3 LYS 29 2HE LYS 29 8.922 5.628 -1.891
379 HZ1 LYS 29 3HZ LYS 29 7.050 6.748 -2.960
380 HZ2 LYS 29 1HZ LYS 29 7.417 6.062 -4.415
381 HZ3 LYS 29 2HZ LYS 29 8.455 7.133 -3.724
382 H THR 30 H THR 30 15.075 7.173 -5.272
383 HA THR 30 HA THR 30 16.121 5.723 -7.563
384 HB THR 30 HB THR 30 18.288 6.820 -6.197
385 HG1 THR 30 HG1 THR 30 17.493 8.670 -5.191
386 HG21 THR 30 1HG2 THR 30 16.267 8.327 -7.980
387 HG22 THR 30 2HG2 THR 30 17.618 7.338 -8.580
388 HG23 THR 30 3HG2 THR 30 17.940 8.820 -7.669
389 HXT THR 30 H02 THR 30 15.444 3.909 -6.673
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