Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
566075 | 2m9r RC | 19309 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 1H ASP 1 24.039 23.085 -3.609
2 H2 ASP 1 2H ASP 1 22.391 23.229 -3.790
3 H3 ASP 1 3H ASP 1 23.029 22.670 -2.369
4 HA ASP 1 HA ASP 1 23.350 25.417 -3.432
5 HB2 ASP 1 1HB ASP 1 21.007 24.681 -2.608
6 HB3 ASP 1 2HB ASP 1 21.702 24.430 -1.004
7 H ALA 2 H ALA 2 25.200 26.332 -2.711
8 HA ALA 2 HA ALA 2 26.896 24.974 -0.594
9 HB1 ALA 2 1HB ALA 2 27.969 25.574 -2.767
10 HB2 ALA 2 2HB ALA 2 27.535 27.293 -2.536
11 HB3 ALA 2 3HB ALA 2 28.685 26.505 -1.436
12 H GLU 3 H GLU 3 27.104 25.747 1.392
13 HA GLU 3 HA GLU 3 25.764 28.338 2.236
14 HB2 GLU 3 1HB GLU 3 25.333 26.087 3.377
15 HB3 GLU 3 2HB GLU 3 26.993 26.107 3.961
16 HG2 GLU 3 1HG GLU 3 26.443 28.317 5.208
17 HG3 GLU 3 2HG GLU 3 24.778 28.176 4.633
18 H PHE 4 H PHE 4 27.010 30.086 2.171
19 HA PHE 4 HA PHE 4 30.045 29.950 2.333
20 HB2 PHE 4 1HB PHE 4 28.165 32.294 1.661
21 HB3 PHE 4 2HB PHE 4 29.885 32.462 1.823
22 HD1 PHE 4 HD2 PHE 4 31.468 31.519 0.133
23 HD2 PHE 4 HD1 PHE 4 27.216 31.059 -0.340
24 HE1 PHE 4 HE2 PHE 4 31.786 30.910 -2.232
25 HE2 PHE 4 HE1 PHE 4 27.551 30.453 -2.698
26 HZ PHE 4 HZ PHE 4 29.833 30.378 -3.651
27 H ARG 5 H ARG 5 31.044 30.199 4.216
28 HA ARG 5 HA ARG 5 29.913 32.043 6.347
29 HB2 ARG 5 1HB ARG 5 30.298 30.553 8.193
30 HB3 ARG 5 2HB ARG 5 29.143 29.871 7.068
31 HG2 ARG 5 2HG ARG 5 30.890 28.291 6.188
32 HG3 ARG 5 1HG ARG 5 32.105 28.970 7.262
33 HD2 ARG 5 2HD ARG 5 29.474 27.698 8.296
34 HD3 ARG 5 1HD ARG 5 30.871 26.726 7.966
35 HE ARG 5 HE ARG 5 30.648 28.842 10.187
36 HH11 ARG 5 2HH1 ARG 5 32.741 26.514 8.691
37 HH12 ARG 5 1HH1 ARG 5 33.807 26.440 10.180
38 HH21 ARG 5 1HH2 ARG 5 31.923 28.811 11.751
39 HH22 ARG 5 2HH2 ARG 5 33.310 27.644 11.855
40 H HIS 6 H HIS 6 31.354 33.109 7.594
41 HA HIS 6 HA HIS 6 34.325 32.918 6.855
42 HB2 HIS 6 2HB HIS 6 33.123 34.851 5.682
43 HB3 HIS 6 1HB HIS 6 32.736 35.535 7.248
44 HD2 HIS 6 HD2 HIS 6 34.782 36.722 8.627
45 HE1 HIS 6 HE1 HIS 6 37.652 36.455 5.609
46 HE2 HIS 6 HE2 HIS 6 37.199 37.586 7.885
47 H ASP 7 H ASP 7 35.290 32.265 8.634
48 HA ASP 7 HA ASP 7 34.597 33.466 11.375
49 HB2 ASP 7 1HB ASP 7 34.893 30.453 10.782
50 HB3 ASP 7 2HB ASP 7 34.997 31.144 12.390
51 H SER 8 H SER 8 37.122 31.412 9.791
52 HA SER 8 HA SER 8 39.230 33.110 11.250
53 HB2 SER 8 2HB SER 8 40.630 31.133 11.569
54 HB3 SER 8 1HB SER 8 39.064 30.877 12.325
55 HG SER 8 HG SER 8 39.695 29.983 9.683
56 H GLY 9 H GLY 9 40.680 34.026 9.973
57 HA2 GLY 9 1HA GLY 9 41.836 32.791 7.531
58 HA3 GLY 9 2HA GLY 9 40.666 34.016 7.060
59 H TYR 10 H TYR 10 41.050 36.194 7.789
60 HA TYR 10 HA TYR 10 43.895 36.871 8.700
61 HB2 TYR 10 2HB TYR 10 42.485 38.122 6.255
62 HB3 TYR 10 1HB TYR 10 43.841 38.860 7.055
63 HD1 TYR 10 HD1 TYR 10 46.142 37.886 6.913
64 HD2 TYR 10 HD2 TYR 10 42.833 36.015 4.899
65 HE1 TYR 10 HE1 TYR 10 47.700 36.536 5.576
66 HE2 TYR 10 HE2 TYR 10 44.406 34.676 3.569
67 HH TYR 10 HH TYR 10 46.539 34.243 3.130
68 H GLU 11 H GLU 11 43.651 37.930 10.529
69 HA GLU 11 HA GLU 11 41.506 40.091 10.788
70 HB2 GLU 11 1HB GLU 11 40.934 39.556 13.016
71 HB3 GLU 11 2HB GLU 11 40.602 38.210 11.954
72 HG2 GLU 11 1HG GLU 11 42.649 36.980 12.876
73 HG3 GLU 11 2HG GLU 11 42.955 38.336 13.964
74 H VAL 12 H VAL 12 42.968 41.575 10.170
75 HA VAL 12 HA VAL 12 44.917 42.475 12.330
76 HB VAL 12 HB VAL 12 46.578 43.298 10.685
77 HG11 VAL 12 1HG1 VAL 12 47.840 41.200 10.475
78 HG12 VAL 12 2HG1 VAL 12 46.365 40.227 10.707
79 HG13 VAL 12 3HG1 VAL 12 46.997 41.221 12.036
80 HG21 VAL 12 1HG2 VAL 12 45.335 43.188 8.501
81 HG22 VAL 12 2HG2 VAL 12 46.869 42.313 8.451
82 HG23 VAL 12 3HG2 VAL 12 45.342 41.407 8.578
83 H HIS 13 H HIS 13 44.005 44.246 13.042
84 HA HIS 13 HA HIS 13 42.386 46.050 11.232
85 HB2 HIS 13 1HB HIS 13 41.564 45.266 13.496
86 HB3 HIS 13 2HB HIS 13 42.807 46.221 14.276
87 HD2 HIS 13 HD2 HIS 13 39.496 46.582 12.239
88 HE1 HIS 13 HE1 HIS 13 40.300 50.320 13.910
89 HE2 HIS 13 HE2 HIS 13 38.486 49.027 12.609
90 H HIS 14 H HIS 14 45.082 46.757 13.537
91 HA HIS 14 HA HIS 14 45.800 49.220 11.868
92 HB2 HIS 14 2HB HIS 14 46.800 48.340 14.646
93 HB3 HIS 14 1HB HIS 14 47.451 49.692 13.755
94 HD2 HIS 14 HD2 HIS 14 44.354 48.708 15.816
95 HE1 HIS 14 HE1 HIS 14 43.893 52.737 14.845
96 HE2 HIS 14 HE2 HIS 14 42.874 50.867 16.305
97 H GLN 15 H GLN 15 47.263 48.973 10.335
98 HA GLN 15 HA GLN 15 49.221 46.636 10.278
99 HB2 GLN 15 1HB GLN 15 48.502 48.792 8.193
100 HB3 GLN 15 2HB GLN 15 49.805 47.668 7.960
101 HG2 GLN 15 2HG GLN 15 46.893 46.740 8.374
102 HG3 GLN 15 1HG GLN 15 47.595 47.072 6.812
103 HE21 GLN 15 2HE2 GLN 15 49.110 45.572 5.948
104 HE22 GLN 15 1HE2 GLN 15 49.298 43.909 6.715
105 H LYS 16 H LYS 16 51.250 46.909 11.040
106 HA LYS 16 HA LYS 16 52.386 49.677 11.606
107 HB2 LYS 16 2HB LYS 16 52.427 47.730 13.273
108 HB3 LYS 16 1HB LYS 16 53.552 46.914 12.210
109 HG2 LYS 16 2HG LYS 16 54.935 47.835 13.840
110 HG3 LYS 16 1HG LYS 16 55.155 48.955 12.510
111 HD2 LYS 16 1HD LYS 16 53.468 50.547 13.640
112 HD3 LYS 16 2HD LYS 16 53.284 49.383 14.953
113 HE2 LYS 16 1HE LYS 16 55.783 49.578 15.483
114 HE3 LYS 16 2HE LYS 16 55.969 50.745 14.173
115 HZ1 LYS 16 2HZ LYS 16 54.324 52.225 15.355
116 HZ2 LYS 16 3HZ LYS 16 54.169 51.143 16.575
117 HZ3 LYS 16 1HZ LYS 16 55.601 51.911 16.338
118 H LEU 17 H LEU 17 52.130 49.862 9.187
119 HA LEU 17 HA LEU 17 54.726 50.276 7.937
120 HB2 LEU 17 2HB LEU 17 54.681 48.894 5.977
121 HB3 LEU 17 1HB LEU 17 54.804 47.883 7.378
122 HG LEU 17 HG LEU 17 52.097 48.291 5.950
123 HD11 LEU 17 2HD1 LEU 17 54.216 46.143 5.252
124 HD12 LEU 17 3HD1 LEU 17 53.755 47.516 4.219
125 HD13 LEU 17 1HD1 LEU 17 52.571 46.252 4.586
126 HD21 LEU 17 1HD2 LEU 17 52.031 47.122 8.205
127 HD22 LEU 17 2HD2 LEU 17 51.570 46.028 6.894
128 HD23 LEU 17 3HD2 LEU 17 53.188 45.911 7.622
129 H VAL 18 H VAL 18 54.494 51.491 5.873
130 HA VAL 18 HA VAL 18 51.949 53.062 5.772
131 HB VAL 18 HB VAL 18 52.799 54.241 3.789
132 HG11 VAL 18 1HG1 VAL 18 54.285 55.744 5.045
133 HG12 VAL 18 2HG1 VAL 18 52.932 55.216 6.056
134 HG13 VAL 18 3HG1 VAL 18 54.545 54.503 6.299
135 HG21 VAL 18 1HG2 VAL 18 55.564 52.978 4.330
136 HG22 VAL 18 2HG2 VAL 18 54.555 52.666 2.896
137 HG23 VAL 18 3HG2 VAL 18 55.189 54.291 3.193
138 H PHE 19 H PHE 19 50.407 51.668 5.404
139 HA PHE 19 HA PHE 19 50.338 49.781 3.123
140 HB2 PHE 19 2HB PHE 19 49.411 49.430 5.488
141 HB3 PHE 19 1HB PHE 19 48.130 50.557 5.127
142 HD1 PHE 19 HD1 PHE 19 49.500 47.174 4.416
143 HD2 PHE 19 HD2 PHE 19 46.297 49.904 3.533
144 HE1 PHE 19 HE1 PHE 19 48.161 45.319 3.476
145 HE2 PHE 19 HE2 PHE 19 44.987 48.051 2.582
146 HZ PHE 19 HZ PHE 19 45.918 45.767 2.542
147 H PHE 20 H PHE 20 50.506 51.062 1.297
148 HA PHE 20 HA PHE 20 48.248 52.979 0.560
149 HB2 PHE 20 1HB PHE 20 50.783 52.216 -1.013
150 HB3 PHE 20 2HB PHE 20 49.541 53.276 -1.599
151 HD1 PHE 20 HD1 PHE 20 49.133 55.548 -0.555
152 HD2 PHE 20 HD2 PHE 20 52.428 53.056 0.649
153 HE1 PHE 20 HE1 PHE 20 50.256 57.499 0.445
154 HE2 PHE 20 HE2 PHE 20 53.557 55.028 1.595
155 HZ PHE 20 HZ PHE 20 52.466 57.241 1.526
156 H ALA 21 H ALA 21 46.440 51.889 0.031
157 HA ALA 21 HA ALA 21 46.480 49.329 -1.584
158 HB1 ALA 21 1HB ALA 21 44.136 51.012 -0.502
159 HB2 ALA 21 2HB ALA 21 44.900 49.613 0.305
160 HB3 ALA 21 3HB ALA 21 44.028 49.391 -1.225
161 H GLU 22 H GLU 22 47.786 50.634 -3.168
162 HA GLU 22 HA GLU 22 46.120 51.078 -5.592
163 HB2 GLU 22 1HB GLU 22 46.953 53.290 -6.232
164 HB3 GLU 22 2HB GLU 22 45.978 53.352 -4.783
165 HG2 GLU 22 2HG GLU 22 48.063 53.664 -3.373
166 HG3 GLU 22 1HG GLU 22 49.072 53.573 -4.820
167 H ASP 23 H ASP 23 47.251 50.800 -7.515
168 HA ASP 23 HA ASP 23 49.769 49.216 -7.320
169 HB2 ASP 23 2HB ASP 23 48.091 50.067 -9.755
170 HB3 ASP 23 1HB ASP 23 49.571 49.136 -9.873
171 H VAL 24 H VAL 24 51.480 50.366 -6.761
172 HA VAL 24 HA VAL 24 52.045 53.088 -7.840
173 HB VAL 24 HB VAL 24 52.344 52.535 -5.466
174 HG11 VAL 24 1HG2 VAL 24 54.354 51.434 -4.555
175 HG12 VAL 24 2HG2 VAL 24 54.969 51.068 -6.187
176 HG13 VAL 24 3HG2 VAL 24 53.496 50.276 -5.588
177 HG21 VAL 24 1HG1 VAL 24 53.425 54.563 -6.462
178 HG22 VAL 24 2HG1 VAL 24 54.922 53.640 -6.744
179 HG23 VAL 24 3HG1 VAL 24 54.338 53.922 -5.087
180 H GLY 25 H GLY 25 53.158 53.557 -9.557
181 HA2 GLY 25 1HA GLY 25 55.583 52.164 -10.594
182 HA3 GLY 25 2HA GLY 25 54.143 51.633 -11.457
183 H SER 26 H SER 26 56.547 53.937 -11.432
184 HA SER 26 HA SER 26 54.998 56.193 -12.655
185 HB2 SER 26 1HB SER 26 57.136 57.385 -12.728
186 HB3 SER 26 2HB SER 26 56.844 56.706 -11.128
187 HG SER 26 HG SER 26 58.977 56.323 -11.808
188 H ASN 27 H ASN 27 54.804 56.661 -14.747
189 HA ASN 27 HA ASN 27 55.795 54.724 -16.839
190 HB2 ASN 27 1HB ASN 27 54.317 55.752 -18.397
191 HB3 ASN 27 2HB ASN 27 53.464 55.295 -16.953
192 HD21 ASN 27 1HD2 ASN 27 52.686 57.077 -15.550
193 HD22 ASN 27 2HD2 ASN 27 52.465 58.726 -16.346
194 H LYS 28 H LYS 28 57.975 55.072 -16.753
195 HA LYS 28 HA LYS 28 59.192 57.747 -17.375
196 HB2 LYS 28 1HB LYS 28 60.486 54.982 -17.044
197 HB3 LYS 28 2HB LYS 28 61.399 56.414 -17.460
198 HG2 LYS 28 2HG LYS 28 60.701 57.567 -15.325
199 HG3 LYS 28 1HG LYS 28 59.680 56.209 -14.913
200 HD2 LYS 28 1HD LYS 28 61.535 55.774 -13.597
201 HD3 LYS 28 2HD LYS 28 61.821 54.702 -14.961
202 HE2 LYS 28 1HE LYS 28 63.466 56.406 -15.941
203 HE3 LYS 28 2HE LYS 28 63.159 57.478 -14.570
204 HZ1 LYS 28 2HZ LYS 28 63.956 55.651 -13.045
205 HZ2 LYS 28 3HZ LYS 28 64.247 54.661 -14.311
206 HZ3 LYS 28 1HZ LYS 28 65.141 56.027 -14.116
207 H GLY 29 H GLY 29 59.061 54.698 -19.324
208 HA2 GLY 29 1HA GLY 29 58.799 54.599 -21.761
209 HA3 GLY 29 2HA GLY 29 58.934 56.334 -21.870
210 H ALA 30 H ALA 30 61.097 57.220 -21.696
211 HA ALA 30 HA ALA 30 63.158 55.555 -23.165
212 HB1 ALA 30 1HB ALA 30 64.331 57.750 -23.448
213 HB2 ALA 30 2HB ALA 30 62.637 57.867 -23.962
214 HB3 ALA 30 3HB ALA 30 63.144 58.551 -22.395
215 H ILE 31 H ILE 31 64.943 54.729 -22.266
216 HA ILE 31 HA ILE 31 65.904 55.690 -19.543
217 HB ILE 31 HB ILE 31 64.580 53.623 -19.276
218 HG12 ILE 31 1HG1 ILE 31 67.468 52.976 -18.482
219 HG13 ILE 31 2HG1 ILE 31 66.659 54.374 -17.807
220 HG21 ILE 31 2HG2 ILE 31 65.419 51.370 -19.925
221 HG22 ILE 31 3HG2 ILE 31 65.141 52.352 -21.370
222 HG23 ILE 31 1HG2 ILE 31 66.800 52.089 -20.789
223 HD11 ILE 31 1HD1 ILE 31 66.412 52.483 -16.257
224 HD12 ILE 31 2HD1 ILE 31 64.805 52.938 -16.870
225 HD13 ILE 31 3HD1 ILE 31 65.624 51.485 -17.496
226 H ILE 32 H ILE 32 68.102 55.708 -19.174
227 HA ILE 32 HA ILE 32 69.729 56.096 -21.648
228 HB ILE 32 HB ILE 32 69.774 57.783 -19.858
229 HG12 ILE 32 2HG1 ILE 32 72.307 58.120 -19.675
230 HG13 ILE 32 1HG1 ILE 32 72.543 56.589 -20.479
231 HG21 ILE 32 3HG2 ILE 32 71.019 57.544 -17.752
232 HG22 ILE 32 1HG2 ILE 32 71.444 55.854 -18.118
233 HG23 ILE 32 2HG2 ILE 32 69.756 56.305 -17.793
234 HD11 ILE 32 1HD1 ILE 32 71.328 57.555 -22.549
235 HD12 ILE 32 2HD1 ILE 32 72.739 58.515 -22.060
236 HD13 ILE 32 3HD1 ILE 32 71.108 59.082 -21.654
237 H GLY 33 H GLY 33 71.460 55.011 -22.309
238 HA2 GLY 33 1HA GLY 33 73.001 52.909 -21.004
239 HA3 GLY 33 2HA GLY 33 71.638 52.103 -21.774
240 H LEU 34 H LEU 34 74.417 54.183 -22.393
241 HA LEU 34 HA LEU 34 74.258 53.755 -25.398
242 HB2 LEU 34 1HB LEU 34 74.767 56.035 -24.330
243 HB3 LEU 34 2HB LEU 34 76.269 55.363 -23.733
244 HG LEU 34 HG LEU 34 76.889 54.881 -26.244
245 HD11 LEU 34 2HD1 LEU 34 74.574 55.211 -27.259
246 HD12 LEU 34 3HD1 LEU 34 75.763 56.328 -27.950
247 HD13 LEU 34 1HD1 LEU 34 74.596 56.915 -26.746
248 HD21 LEU 34 1HD2 LEU 34 76.576 57.812 -25.298
249 HD22 LEU 34 2HD2 LEU 34 77.919 56.720 -24.884
250 HD23 LEU 34 3HD2 LEU 34 77.685 57.233 -26.564
251 H MET 35 H MET 35 75.042 51.867 -26.096
252 HA MET 35 HA MET 35 77.768 50.894 -25.143
253 HB2 MET 35 2HB MET 35 77.172 48.583 -25.012
254 HB3 MET 35 1HB MET 35 76.289 49.540 -23.848
255 HG2 MET 35 2HG MET 35 74.176 49.326 -25.266
256 HG3 MET 35 1HG MET 35 75.086 48.367 -26.441
257 HE1 MET 35 2HE MET 35 73.626 46.933 -22.297
258 HE2 MET 35 1HE MET 35 74.457 48.510 -22.439
259 HE3 MET 35 3HE MET 35 72.914 48.227 -23.304
260 H VAL 36 H VAL 36 78.857 51.497 -26.864
261 HA VAL 36 HA VAL 36 78.205 50.188 -29.538
262 HB VAL 36 HB VAL 36 77.295 52.463 -29.609
263 HG11 VAL 36 1HG1 VAL 36 78.980 53.781 -28.243
264 HG12 VAL 36 2HG1 VAL 36 80.162 53.607 -29.561
265 HG13 VAL 36 3HG1 VAL 36 78.651 54.502 -29.831
266 HG21 VAL 36 1HG2 VAL 36 78.132 53.044 -31.848
267 HG22 VAL 36 2HG2 VAL 36 79.605 52.068 -31.611
268 HG23 VAL 36 3HG2 VAL 36 78.013 51.287 -31.696
269 H GLY 37 H GLY 37 79.692 48.666 -29.281
270 HA2 GLY 37 1HA GLY 37 82.577 49.321 -28.497
271 HA3 GLY 37 2HA GLY 37 81.904 47.716 -28.627
272 H GLY 38 H GLY 38 81.708 46.783 -30.709
273 HA2 GLY 38 1HA GLY 38 83.549 47.972 -32.893
274 HA3 GLY 38 2HA GLY 38 83.260 46.261 -32.694
275 H VAL 39 H VAL 39 81.251 45.404 -33.427
276 HA VAL 39 HA VAL 39 79.739 47.141 -35.437
277 HB VAL 39 HB VAL 39 78.735 45.110 -36.366
278 HG11 VAL 39 1HG1 VAL 39 80.646 44.456 -37.779
279 HG12 VAL 39 2HG1 VAL 39 81.808 45.104 -36.595
280 HG13 VAL 39 3HG1 VAL 39 80.711 46.200 -37.466
281 HG21 VAL 39 1HG2 VAL 39 80.808 43.401 -34.843
282 HG22 VAL 39 2HG2 VAL 39 79.666 42.850 -36.091
283 HG23 VAL 39 3HG2 VAL 39 79.056 43.409 -34.527
284 H VAL 40 H VAL 40 77.946 48.042 -34.712
285 HA VAL 40 HA VAL 40 76.431 46.832 -32.361
286 HB VAL 40 HB VAL 40 77.301 49.145 -32.114
287 HG11 VAL 40 1HG2 VAL 40 76.870 50.124 -34.415
288 HG12 VAL 40 2HG2 VAL 40 76.163 51.120 -33.123
289 HG13 VAL 40 3HG2 VAL 40 75.126 50.063 -34.105
290 HG21 VAL 40 1HG1 VAL 40 74.241 48.958 -31.890
291 HG22 VAL 40 2HG1 VAL 40 75.407 48.312 -30.712
292 HG23 VAL 40 3HG1 VAL 40 75.309 50.061 -30.982
293 HCG9 23Y 101 HCG9 EVG 1 51.464 42.403 8.299
294 HCG3 23Y 101 HCG3 EVG 1 50.277 41.518 4.047
295 HCG7 23Y 101 HCG7 EVG 1 51.995 38.226 8.948
296 HCG4 23Y 101 HCG4 EVG 1 48.415 39.586 5.527
297 HCB1 23Y 101 HCB1 EVG 1 47.342 42.430 6.194
298 HCB2 23Y 101 HCB2 EVG 1 45.257 43.361 5.293
299 HOB3 23Y 101 HOB3 EVG 1 44.070 43.793 3.461
300 HCB4 23Y 101 HCB4 EVG 1 46.581 42.505 1.309
301 HCB5 23Y 101 HCB5 EVG 1 48.683 41.579 2.197
302 HCC1 23Y 101 HCC1 EVG 1 51.899 39.234 3.974
303 HOC2 23Y 101 HOC2 EVG 1 53.215 38.223 2.497
304 HCC3 23Y 101 HCC3 EVG 1 50.498 36.595 0.920
305 HOC4 23Y 101 HOC4 EVG 1 48.302 36.255 0.853
306 HCC5 23Y 101 HCC5 EVG 1 47.696 38.399 3.592
307 HCD1 23Y 101 HCD1 EVG 1 49.901 37.104 5.909
308 HCD2 23Y 101 HCD2 EVG 1 51.522 36.198 8.295
309 HCE1 23Y 101 HCE1 EVG 1 48.984 32.708 4.709
310 HOE2 23Y 101 HOE2 EVG 1 50.260 30.084 6.730
311 HCE3 23Y 101 HCE3 EVG 1 51.248 31.495 8.136
312 HCE4 23Y 101 HCE4 EVG 1 51.694 33.835 8.691
313 HCE6 23Y 101 HCE6 EVG 1 49.434 35.053 5.218
314 HCF5 23Y 101 HCF5 EVG 1 56.423 40.215 8.706
315 HCF1 23Y 101 HCF1 EVG 1 54.248 41.530 9.159
316 HCF2 23Y 101 HCF2 EVG 1 54.047 40.313 11.983
317 HOF2 23Y 101 HOF2 EVG 1 54.397 42.995 11.073
318 HCF3 23Y 101 HCF3 EVG 1 56.441 41.872 10.828
319 HOF3 23Y 101 HOF3 EVG 1 55.898 41.895 13.099
320 HCF4 23Y 101 HCF4 EVG 1 56.323 38.863 11.481
321 HOF4 23Y 101 HOF4 EVG 1 58.244 40.591 10.288
322 HF61 23Y 101 HF61 EVG 1 56.194 38.006 7.744
323 HF62 23Y 101 HF62 EVG 1 57.590 37.967 8.828
324 HCF6 23Y 101 HCF6 EVG 1 54.955 37.204 9.581
325 HCG9 23Y 102 HCG9 EVG 2 59.500 43.947 -21.842
326 HCG3 23Y 102 HCG3 EVG 2 56.966 47.551 -22.714
327 HCG7 23Y 102 HCG7 EVG 2 60.464 45.649 -18.050
328 HCG4 23Y 102 HCG4 EVG 2 59.570 48.940 -21.891
329 HCB1 23Y 102 HCB1 EVG 2 56.392 49.514 -24.047
330 HCB2 23Y 102 HCB2 EVG 2 56.713 50.749 -26.154
331 HOB3 23Y 102 HOB3 EVG 2 59.626 50.316 -28.130
332 HCB4 23Y 102 HCB4 EVG 2 60.499 48.829 -26.723
333 HCB5 23Y 102 HCB5 EVG 2 60.196 47.586 -24.624
334 HCC1 23Y 102 HCC1 EVG 2 58.678 51.136 -21.701
335 HOC2 23Y 102 HOC2 EVG 2 56.470 53.511 -20.287
336 HCC3 23Y 102 HCC3 EVG 2 55.251 51.963 -19.291
337 HOC4 23Y 102 HOC4 EVG 2 54.169 50.204 -18.478
338 HCC5 23Y 102 HCC5 EVG 2 56.390 47.907 -20.000
339 HCD1 23Y 102 HCD1 EVG 2 59.503 49.250 -18.989
340 HCD2 23Y 102 HCD2 EVG 2 60.567 47.417 -16.825
341 HCE1 23Y 102 HCE1 EVG 2 59.782 52.923 -16.173
342 HOE2 23Y 102 HOE2 EVG 2 60.247 53.526 -14.077
343 HCE3 23Y 102 HCE3 EVG 2 61.420 50.312 -13.202
344 HCE4 23Y 102 HCE4 EVG 2 61.197 48.408 -14.734
345 HCE6 23Y 102 HCE6 EVG 2 59.562 51.055 -17.727
346 HCF5 23Y 102 HCF5 EVG 2 57.395 40.679 -19.790
347 HCF1 23Y 102 HCF1 EVG 2 61.093 42.229 -20.768
348 HCF2 23Y 102 HCF2 EVG 2 62.047 41.651 -18.479
349 HOF2 23Y 102 HOF2 EVG 2 60.565 39.610 -19.756
350 HCF3 23Y 102 HCF3 EVG 2 60.625 40.074 -17.068
351 HOF3 23Y 102 HOF3 EVG 2 60.903 42.313 -16.607
352 HCF4 23Y 102 HCF4 EVG 2 58.081 40.375 -17.280
353 HOF4 23Y 102 HOF4 EVG 2 59.189 38.540 -17.922
354 HF61 23Y 102 HF61 EVG 2 57.976 43.197 -18.148
355 HF62 23Y 102 HF62 EVG 2 56.534 42.176 -18.044
356 HCF6 23Y 102 HOF6 EVG 2 57.461 43.422 -20.426
Start of MODEL 2
1 H1 ASP 1 1H ASP 1 30.401 21.704 17.584
2 H2 ASP 1 2H ASP 1 31.467 22.141 16.381
3 H3 ASP 1 3H ASP 1 31.821 22.413 17.980
4 HA ASP 1 HA ASP 1 29.569 23.655 16.474
5 HB2 ASP 1 2HB ASP 1 30.438 23.995 19.422
6 HB3 ASP 1 1HB ASP 1 29.329 25.081 18.601
7 H ALA 2 H ALA 2 32.665 24.645 18.171
8 HA ALA 2 HA ALA 2 32.770 27.126 16.503
9 HB1 ALA 2 1HB ALA 2 34.770 25.957 18.552
10 HB2 ALA 2 2HB ALA 2 33.480 27.148 18.893
11 HB3 ALA 2 3HB ALA 2 34.837 27.575 17.834
12 H GLU 3 H GLU 3 33.816 27.382 14.657
13 HA GLU 3 HA GLU 3 36.033 25.460 13.778
14 HB2 GLU 3 2HB GLU 3 33.736 24.944 12.730
15 HB3 GLU 3 1HB GLU 3 33.791 26.518 11.949
16 HG2 GLU 3 2HG GLU 3 35.960 25.779 10.750
17 HG3 GLU 3 1HG GLU 3 35.818 24.199 11.533
18 H PHE 4 H PHE 4 37.791 26.672 13.697
19 HA PHE 4 HA PHE 4 37.734 29.487 12.467
20 HB2 PHE 4 1HB PHE 4 39.138 28.717 15.104
21 HB3 PHE 4 2HB PHE 4 39.518 30.152 14.200
22 HD1 PHE 4 HD2 PHE 4 37.930 32.084 14.068
23 HD2 PHE 4 HD1 PHE 4 36.937 28.570 16.341
24 HE1 PHE 4 HE2 PHE 4 36.135 33.322 15.214
25 HE2 PHE 4 HE1 PHE 4 35.145 29.832 17.481
26 HZ PHE 4 HZ PHE 4 34.740 32.195 16.915
27 H ARG 5 H ARG 5 38.998 29.439 10.750
28 HA ARG 5 HA ARG 5 41.220 27.365 10.442
29 HB2 ARG 5 2HB ARG 5 39.921 29.271 8.415
30 HB3 ARG 5 1HB ARG 5 41.325 28.317 8.028
31 HG2 ARG 5 1HG ARG 5 38.679 27.023 8.952
32 HG3 ARG 5 2HG ARG 5 39.012 27.452 7.282
33 HD2 ARG 5 1HD ARG 5 41.031 25.916 7.242
34 HD3 ARG 5 2HD ARG 5 40.706 25.456 8.933
35 HE ARG 5 HE ARG 5 38.271 25.118 7.255
36 HH11 ARG 5 2HH2 ARG 5 41.259 23.487 8.014
37 HH12 ARG 5 1HH2 ARG 5 40.542 21.860 7.581
38 HH21 ARG 5 1HH1 ARG 5 37.512 23.265 6.782
39 HH22 ARG 5 2HH1 ARG 5 38.528 21.763 6.909
40 H HIS 6 H HIS 6 43.279 27.919 10.783
41 HA HIS 6 HA HIS 6 44.066 30.608 11.609
42 HB2 HIS 6 2HB HIS 6 46.224 29.702 12.083
43 HB3 HIS 6 1HB HIS 6 45.001 28.591 12.620
44 HD2 HIS 6 HD2 HIS 6 47.931 28.897 10.118
45 HE1 HIS 6 HE1 HIS 6 46.670 24.942 9.908
46 HE2 HIS 6 HE2 HIS 6 48.453 26.574 9.033
47 H ASP 7 H ASP 7 44.804 28.978 8.516
48 HA ASP 7 HA ASP 7 46.434 31.284 7.544
49 HB2 ASP 7 1HB ASP 7 45.429 28.739 6.117
50 HB3 ASP 7 2HB ASP 7 46.393 29.973 5.326
51 H SER 8 H SER 8 43.173 30.118 6.539
52 HA SER 8 HA SER 8 42.745 32.347 4.655
53 HB2 SER 8 1HB SER 8 40.664 30.458 5.930
54 HB3 SER 8 2HB SER 8 40.349 31.542 4.579
55 HG SER 8 HG SER 8 42.052 30.437 3.426
56 H GLY 9 H GLY 9 42.032 32.239 8.100
57 HA2 GLY 9 1HA GLY 9 40.174 34.670 8.013
58 HA3 GLY 9 2HA GLY 9 40.628 33.777 9.447
59 H TYR 10 H TYR 10 41.766 36.110 7.104
60 HA TYR 10 HA TYR 10 44.144 36.890 8.797
61 HB2 TYR 10 2HB TYR 10 44.875 38.301 7.042
62 HB3 TYR 10 1HB TYR 10 44.536 36.709 6.449
63 HD1 TYR 10 HD1 TYR 10 42.504 36.314 4.931
64 HD2 TYR 10 HD2 TYR 10 43.684 40.263 6.144
65 HE1 TYR 10 HE1 TYR 10 41.140 37.287 3.122
66 HE2 TYR 10 HE2 TYR 10 42.329 41.212 4.314
67 HH TYR 10 HH TYR 10 40.935 40.790 2.629
68 H GLU 11 H GLU 11 43.217 37.593 10.649
69 HA GLU 11 HA GLU 11 41.489 40.120 10.622
70 HB2 GLU 11 2HB GLU 11 40.818 38.019 11.914
71 HB3 GLU 11 1HB GLU 11 42.219 38.251 12.945
72 HG2 GLU 11 2HG GLU 11 40.396 39.187 14.169
73 HG3 GLU 11 1HG GLU 11 41.212 40.614 13.549
74 H VAL 12 H VAL 12 43.080 41.554 9.975
75 HA VAL 12 HA VAL 12 45.148 42.322 12.101
76 HB VAL 12 HB VAL 12 46.241 41.063 10.306
77 HG11 VAL 12 1HG1 VAL 12 45.705 43.398 8.363
78 HG12 VAL 12 2HG1 VAL 12 46.713 41.965 8.061
79 HG13 VAL 12 3HG1 VAL 12 44.955 41.793 8.251
80 HG21 VAL 12 1HG2 VAL 12 48.191 42.549 10.045
81 HG22 VAL 12 2HG2 VAL 12 47.522 42.720 11.675
82 HG23 VAL 12 3HG2 VAL 12 47.219 43.983 10.457
83 H HIS 13 H HIS 13 43.927 43.868 12.976
84 HA HIS 13 HA HIS 13 42.494 45.940 11.369
85 HB2 HIS 13 1HB HIS 13 42.878 45.655 14.415
86 HB3 HIS 13 2HB HIS 13 42.009 46.977 13.680
87 HD2 HIS 13 HD2 HIS 13 41.583 43.224 14.458
88 HE1 HIS 13 HE1 HIS 13 37.984 44.506 12.817
89 HE2 HIS 13 HE2 HIS 13 39.115 42.475 13.838
90 H HIS 14 H HIS 14 45.376 46.191 13.504
91 HA HIS 14 HA HIS 14 45.869 49.025 12.505
92 HB2 HIS 14 2HB HIS 14 46.060 48.402 14.997
93 HB3 HIS 14 1HB HIS 14 47.471 47.441 14.605
94 HD2 HIS 14 HD2 HIS 14 46.221 51.119 14.821
95 HE1 HIS 14 HE1 HIS 14 50.369 51.309 14.441
96 HE2 HIS 14 HE2 HIS 14 48.304 52.781 14.913
97 H GLN 15 H GLN 15 47.000 49.237 10.701
98 HA GLN 15 HA GLN 15 48.780 47.022 9.613
99 HB2 GLN 15 1HB GLN 15 46.958 48.120 8.253
100 HB3 GLN 15 2HB GLN 15 47.826 49.650 8.336
101 HG2 GLN 15 1HG GLN 15 49.783 48.565 7.090
102 HG3 GLN 15 2HG GLN 15 48.895 47.051 7.009
103 HE21 GLN 15 1HE2 GLN 15 47.229 46.900 5.409
104 HE22 GLN 15 2HE2 GLN 15 46.911 48.293 4.247
105 H LYS 16 H LYS 16 50.478 47.164 11.080
106 HA LYS 16 HA LYS 16 52.216 49.694 11.114
107 HB2 LYS 16 2HB LYS 16 51.495 48.558 13.260
108 HB3 LYS 16 1HB LYS 16 52.449 47.153 12.817
109 HG2 LYS 16 1HG LYS 16 54.542 48.639 12.807
110 HG3 LYS 16 2HG LYS 16 53.545 50.020 13.274
111 HD2 LYS 16 2HD LYS 16 52.846 48.738 15.413
112 HD3 LYS 16 1HD LYS 16 53.844 47.404 14.892
113 HE2 LYS 16 1HE LYS 16 55.234 48.451 16.467
114 HE3 LYS 16 2HE LYS 16 55.917 48.978 14.939
115 HZ1 LYS 16 2HZ LYS 16 55.618 50.897 16.501
116 HZ2 LYS 16 3HZ LYS 16 54.625 51.128 15.212
117 HZ3 LYS 16 1HZ LYS 16 54.008 50.609 16.639
118 H LEU 17 H LEU 17 52.587 49.361 8.875
119 HA LEU 17 HA LEU 17 55.197 48.326 8.210
120 HB2 LEU 17 2HB LEU 17 54.759 46.578 6.514
121 HB3 LEU 17 1HB LEU 17 54.436 46.107 8.151
122 HG LEU 17 HG LEU 17 51.887 46.492 7.626
123 HD11 LEU 17 1HD2 LEU 17 52.129 47.645 5.373
124 HD12 LEU 17 2HD2 LEU 17 52.923 46.203 4.710
125 HD13 LEU 17 3HD2 LEU 17 51.223 46.136 5.237
126 HD21 LEU 17 2HD1 LEU 17 51.702 44.166 6.719
127 HD22 LEU 17 3HD1 LEU 17 53.418 44.177 6.245
128 HD23 LEU 17 1HD1 LEU 17 52.961 44.234 7.963
129 H VAL 18 H VAL 18 55.924 49.242 6.284
130 HA VAL 18 HA VAL 18 54.198 51.451 5.239
131 HB VAL 18 HB VAL 18 56.531 51.817 5.882
132 HG11 VAL 18 1HG2 VAL 18 57.426 50.532 3.224
133 HG12 VAL 18 2HG2 VAL 18 57.709 49.828 4.831
134 HG13 VAL 18 3HG2 VAL 18 58.442 51.386 4.406
135 HG21 VAL 18 1HG1 VAL 18 55.286 53.457 4.479
136 HG22 VAL 18 2HG1 VAL 18 57.022 53.473 4.135
137 HG23 VAL 18 3HG1 VAL 18 55.901 52.682 2.998
138 H PHE 19 H PHE 19 52.542 50.447 4.251
139 HA PHE 19 HA PHE 19 52.833 48.430 2.131
140 HB2 PHE 19 2HB PHE 19 50.841 48.747 3.763
141 HB3 PHE 19 1HB PHE 19 50.330 50.105 2.812
142 HD1 PHE 19 HD2 PHE 19 50.653 46.399 2.911
143 HD2 PHE 19 HD1 PHE 19 49.349 49.720 0.507
144 HE1 PHE 19 HE2 PHE 19 49.402 44.863 1.450
145 HE2 PHE 19 HE1 PHE 19 48.119 48.167 -0.953
146 HZ PHE 19 HZ PHE 19 48.137 45.741 -0.482
147 H PHE 20 H PHE 20 52.768 48.605 -0.044
148 HA PHE 20 HA PHE 20 53.083 51.349 -1.342
149 HB2 PHE 20 2HB PHE 20 53.517 48.521 -2.496
150 HB3 PHE 20 1HB PHE 20 53.653 49.986 -3.422
151 HD1 PHE 20 HD2 PHE 20 55.566 51.561 -3.112
152 HD2 PHE 20 HD1 PHE 20 55.286 47.956 -0.784
153 HE1 PHE 20 HE2 PHE 20 57.929 51.794 -2.450
154 HE2 PHE 20 HE1 PHE 20 57.646 48.197 -0.134
155 HZ PHE 20 HZ PHE 20 58.974 50.113 -0.964
156 H ALA 21 H ALA 21 51.221 52.283 -1.989
157 HA ALA 21 HA ALA 21 48.749 50.688 -2.679
158 HB1 ALA 21 1HB ALA 21 48.596 52.742 -1.299
159 HB2 ALA 21 2HB ALA 21 47.683 52.926 -2.809
160 HB3 ALA 21 3HB ALA 21 49.258 53.727 -2.635
161 H GLU 22 H GLU 22 50.377 49.745 -4.345
162 HA GLU 22 HA GLU 22 49.485 50.738 -7.109
163 HB2 GLU 22 1HB GLU 22 52.304 49.665 -6.373
164 HB3 GLU 22 2HB GLU 22 51.747 50.023 -7.997
165 HG2 GLU 22 1HG GLU 22 51.491 52.496 -7.346
166 HG3 GLU 22 2HG GLU 22 52.157 52.113 -5.763
167 H ASP 23 H ASP 23 49.005 49.063 -8.579
168 HA ASP 23 HA ASP 23 48.386 46.387 -7.517
169 HB2 ASP 23 2HB ASP 23 48.295 47.489 -10.384
170 HB3 ASP 23 1HB ASP 23 47.857 45.845 -9.969
171 H VAL 24 H VAL 24 50.319 45.714 -6.689
172 HA VAL 24 HA VAL 24 52.620 45.000 -8.484
173 HB VAL 24 HB VAL 24 52.972 46.135 -6.335
174 HG11 VAL 24 1HG2 VAL 24 52.396 43.480 -4.865
175 HG12 VAL 24 2HG2 VAL 24 51.363 44.926 -4.801
176 HG13 VAL 24 3HG2 VAL 24 53.012 44.993 -4.154
177 HG21 VAL 24 1HG1 VAL 24 54.842 44.896 -7.454
178 HG22 VAL 24 2HG1 VAL 24 55.022 44.936 -5.694
179 HG23 VAL 24 3HG1 VAL 24 54.469 43.443 -6.492
180 H GLY 25 H GLY 25 52.504 43.228 -9.626
181 HA2 GLY 25 1HA GLY 25 50.722 40.894 -8.898
182 HA3 GLY 25 2HA GLY 25 51.581 41.082 -10.406
183 H SER 26 H SER 26 53.906 40.651 -10.360
184 HA SER 26 HA SER 26 54.568 38.212 -8.651
185 HB2 SER 26 2HB SER 26 56.032 39.392 -11.103
186 HB3 SER 26 1HB SER 26 56.495 37.924 -10.242
187 HG SER 26 HG SER 26 53.920 38.324 -11.382
188 H ASN 27 H ASN 27 56.072 38.255 -7.053
189 HA ASN 27 HA ASN 27 57.341 40.835 -6.245
190 HB2 ASN 27 2HB ASN 27 58.036 39.787 -4.222
191 HB3 ASN 27 1HB ASN 27 56.362 39.454 -4.541
192 HD21 ASN 27 2HD2 ASN 27 59.525 37.953 -4.364
193 HD22 ASN 27 1HD2 ASN 27 58.827 36.265 -4.198
194 H LYS 28 H LYS 28 58.923 41.516 -7.522
195 HA LYS 28 HA LYS 28 61.422 39.808 -7.794
196 HB2 LYS 28 1HB LYS 28 61.833 40.381 -10.105
197 HB3 LYS 28 2HB LYS 28 60.341 39.488 -9.915
198 HG2 LYS 28 1HG LYS 28 58.995 41.574 -10.228
199 HG3 LYS 28 2HG LYS 28 60.435 42.555 -10.380
200 HD2 LYS 28 2HD LYS 28 59.833 40.168 -12.270
201 HD3 LYS 28 1HD LYS 28 59.146 41.759 -12.535
202 HE2 LYS 28 1HE LYS 28 61.463 42.789 -12.706
203 HE3 LYS 28 2HE LYS 28 62.199 41.205 -12.447
204 HZ1 LYS 28 2HZ LYS 28 61.953 41.689 -14.890
205 HZ2 LYS 28 3HZ LYS 28 60.328 41.858 -14.739
206 HZ3 LYS 28 1HZ LYS 28 61.018 40.394 -14.506
207 H GLY 29 H GLY 29 63.314 40.813 -7.657
208 HA2 GLY 29 1HA GLY 29 63.481 43.860 -7.370
209 HA3 GLY 29 2HA GLY 29 63.910 42.905 -5.966
210 H ALA 30 H ALA 30 64.655 43.310 -9.401
211 HA ALA 30 HA ALA 30 67.361 42.015 -9.157
212 HB1 ALA 30 1HB ALA 30 67.503 42.482 -11.612
213 HB2 ALA 30 2HB ALA 30 65.973 41.679 -11.209
214 HB3 ALA 30 3HB ALA 30 66.005 43.434 -11.548
215 H ILE 31 H ILE 31 69.219 43.025 -8.838
216 HA ILE 31 HA ILE 31 69.540 46.035 -9.332
217 HB ILE 31 HB ILE 31 70.528 44.599 -6.812
218 HG12 ILE 31 2HG1 ILE 31 68.568 46.987 -6.789
219 HG13 ILE 31 1HG1 ILE 31 67.953 45.368 -6.949
220 HG21 ILE 31 2HG2 ILE 31 72.147 46.378 -7.618
221 HG22 ILE 31 3HG2 ILE 31 70.842 47.586 -7.600
222 HG23 ILE 31 1HG2 ILE 31 71.400 46.841 -6.085
223 HD11 ILE 31 1HD1 ILE 31 67.844 45.978 -4.607
224 HD12 ILE 31 2HD1 ILE 31 69.595 46.299 -4.526
225 HD13 ILE 31 3HD1 ILE 31 68.994 44.638 -4.796
226 H ILE 32 H ILE 32 70.669 45.748 -11.150
227 HA ILE 32 HA ILE 32 73.383 44.441 -11.041
228 HB ILE 32 HB ILE 32 73.209 43.261 -13.241
229 HG12 ILE 32 2HG1 ILE 32 70.932 42.181 -13.790
230 HG13 ILE 32 1HG1 ILE 32 70.149 43.475 -12.916
231 HG21 ILE 32 3HG2 ILE 32 71.526 42.013 -11.002
232 HG22 ILE 32 1HG2 ILE 32 73.301 42.064 -11.058
233 HG23 ILE 32 2HG2 ILE 32 72.408 41.154 -12.286
234 HD11 ILE 32 1HD1 ILE 32 72.054 43.954 -15.335
235 HD12 ILE 32 2HD1 ILE 32 70.875 45.108 -14.662
236 HD13 ILE 32 3HD1 ILE 32 70.311 43.668 -15.506
237 H GLY 33 H GLY 33 71.312 46.491 -13.042
238 HA2 GLY 33 1HA GLY 33 72.856 48.767 -13.466
239 HA3 GLY 33 2HA GLY 33 73.781 47.633 -14.435
240 H LEU 34 H LEU 34 70.601 49.097 -14.072
241 HA LEU 34 HA LEU 34 70.097 48.760 -17.084
242 HB2 LEU 34 2HB LEU 34 68.721 47.128 -15.640
243 HB3 LEU 34 1HB LEU 34 67.991 48.512 -14.859
244 HG LEU 34 HG LEU 34 67.153 49.241 -17.245
245 HD11 LEU 34 1HD2 LEU 34 66.901 47.403 -18.926
246 HD12 LEU 34 2HD2 LEU 34 67.821 46.280 -17.901
247 HD13 LEU 34 3HD2 LEU 34 68.623 47.691 -18.632
248 HD21 LEU 34 2HD1 LEU 34 65.179 47.709 -17.086
249 HD22 LEU 34 3HD1 LEU 34 66.070 46.626 -15.990
250 HD23 LEU 34 1HD1 LEU 34 65.655 48.279 -15.478
251 H MET 35 H MET 35 70.231 50.773 -17.893
252 HA MET 35 HA MET 35 69.631 53.232 -16.211
253 HB2 MET 35 1HB MET 35 70.827 52.927 -19.032
254 HB3 MET 35 2HB MET 35 70.400 54.473 -18.341
255 HG2 MET 35 2HG MET 35 72.481 52.583 -17.070
256 HG3 MET 35 1HG MET 35 72.833 53.981 -18.099
257 HE1 MET 35 2HE MET 35 73.899 55.274 -14.555
258 HE2 MET 35 1HE MET 35 74.058 53.611 -15.194
259 HE3 MET 35 3HE MET 35 74.397 55.016 -16.253
260 H VAL 36 H VAL 36 67.684 54.143 -16.249
261 HA VAL 36 HA VAL 36 65.654 53.388 -18.377
262 HB VAL 36 HB VAL 36 65.059 53.071 -16.036
263 HG11 VAL 36 1HG1 VAL 36 66.053 55.126 -14.924
264 HG12 VAL 36 2HG1 VAL 36 64.344 54.874 -14.525
265 HG13 VAL 36 3HG1 VAL 36 64.806 56.130 -15.695
266 HG21 VAL 36 1HG2 VAL 36 62.739 53.864 -16.221
267 HG22 VAL 36 2HG2 VAL 36 63.302 53.307 -17.805
268 HG23 VAL 36 3HG2 VAL 36 63.186 55.053 -17.469
269 H GLY 37 H GLY 37 66.362 54.466 -20.121
270 HA2 GLY 37 1HA GLY 37 65.642 57.383 -20.450
271 HA3 GLY 37 2HA GLY 37 67.377 57.100 -20.389
272 H GLY 38 H GLY 38 64.454 56.361 -22.160
273 HA2 GLY 38 1HA GLY 38 64.271 56.294 -24.644
274 HA3 GLY 38 2HA GLY 38 66.001 56.100 -24.796
275 H VAL 39 H VAL 39 66.874 54.005 -24.322
276 HA VAL 39 HA VAL 39 64.972 51.640 -24.164
277 HB VAL 39 HB VAL 39 66.937 51.936 -26.504
278 HG11 VAL 39 1HG2 VAL 39 67.009 49.551 -25.659
279 HG12 VAL 39 2HG2 VAL 39 66.255 49.658 -27.253
280 HG13 VAL 39 3HG2 VAL 39 65.240 49.438 -25.806
281 HG21 VAL 39 1HG1 VAL 39 64.932 51.634 -27.977
282 HG22 VAL 39 2HG1 VAL 39 64.683 53.028 -26.921
283 HG23 VAL 39 3HG1 VAL 39 63.866 51.499 -26.555
284 H VAL 40 H VAL 40 68.541 51.812 -24.785
285 HA VAL 40 HA VAL 40 69.096 51.281 -21.890
286 HB VAL 40 HB VAL 40 70.096 49.316 -24.044
287 HG11 VAL 40 1HG1 VAL 40 71.283 48.083 -22.226
288 HG12 VAL 40 2HG1 VAL 40 71.870 49.752 -22.307
289 HG13 VAL 40 3HG1 VAL 40 70.746 49.278 -21.014
290 HG21 VAL 40 1HG2 VAL 40 67.752 48.711 -23.292
291 HG22 VAL 40 2HG2 VAL 40 68.291 48.675 -21.603
292 HG23 VAL 40 3HG2 VAL 40 68.924 47.489 -22.779
293 HCG9 23Y 101 HCG9 EVG 1 43.398 46.034 -0.356
294 HCG3 23Y 101 HCG3 EVG 1 44.054 46.026 4.092
295 HCG7 23Y 101 HCG7 EVG 1 39.742 43.894 0.219
296 HCG4 23Y 101 HCG4 EVG 1 43.481 43.061 3.648
297 HCB1 23Y 101 HCB1 EVG 1 46.248 43.601 2.265
298 HCB2 23Y 101 HCB2 EVG 1 48.390 42.794 3.159
299 HOB3 23Y 101 HOB3 EVG 1 49.722 42.680 4.940
300 HCB4 23Y 101 HCB4 EVG 1 47.500 44.572 6.953
301 HCB5 23Y 101 HCB5 EVG 1 45.335 45.366 6.082
302 HCC1 23Y 101 HCC1 EVG 1 41.242 46.030 4.534
303 HOC2 23Y 101 HOC2 EVG 1 39.840 46.979 5.967
304 HCC3 23Y 101 HCC3 EVG 1 40.511 44.584 8.489
305 HOC4 23Y 101 HOC4 EVG 1 41.580 42.771 9.068
306 HCC5 23Y 101 HCC5 EVG 1 43.325 42.564 5.996
307 HCD1 23Y 101 HCD1 EVG 1 40.574 42.725 3.792
308 HCD2 23Y 101 HCD2 EVG 1 38.541 42.649 1.555
309 HCE1 23Y 101 HCE1 EVG 1 37.931 39.984 6.460
310 HOE2 23Y 101 HOE2 EVG 1 34.811 38.870 5.190
311 HCE3 23Y 101 HCE3 EVG 1 35.092 39.929 3.256
312 HCE4 23Y 101 HCE4 EVG 1 36.546 41.368 1.917
313 HCE6 23Y 101 HCE6 EVG 1 39.410 41.427 5.152
314 HCF5 23Y 101 HCF5 EVG 1 39.039 43.810 -4.540
315 HCF1 23Y 101 HCF1 EVG 1 39.689 44.083 -2.061
316 HCF2 23Y 101 HCF2 EVG 1 39.398 47.164 -2.253
317 HOF2 23Y 101 HOF2 EVG 1 39.123 46.248 -0.192
318 HCF3 23Y 101 HCF3 EVG 1 37.272 45.044 -2.907
319 HOF3 23Y 101 HOF3 EVG 1 36.285 46.908 -3.791
320 HCF4 23Y 101 HCF4 EVG 1 38.724 46.865 -4.918
321 HOF4 23Y 101 HOF4 EVG 1 37.478 45.555 -6.324
322 HF61 23Y 101 HF61 EVG 1 40.575 45.777 -6.365
323 HF62 23Y 101 HF62 EVG 1 41.037 44.111 -6.047
324 HCF6 23Y 101 HCF6 EVG 1 38.879 45.071 -7.536
325 HCG9 23Y 102 HCG9 EVG 2 66.438 51.863 -0.225
326 HCG3 23Y 102 HCG3 EVG 2 63.789 54.449 -2.735
327 HCG7 23Y 102 HCG7 EVG 2 66.398 48.911 -3.315
328 HCG4 23Y 102 HCG4 EVG 2 62.196 51.834 -2.831
329 HCB1 23Y 102 HCB1 EVG 2 61.948 52.839 0.111
330 HCB2 23Y 102 HCB2 EVG 2 59.892 53.779 1.078
331 HOB3 23Y 102 HOB3 EVG 2 58.294 55.317 0.881
332 HCB4 23Y 102 HCB4 EVG 2 59.669 56.624 -2.116
333 HCB5 23Y 102 HCB5 EVG 2 61.725 55.694 -3.101
334 HCC1 23Y 102 HCC1 EVG 2 64.860 53.399 -5.093
335 HOC2 23Y 102 HOC2 EVG 2 65.425 54.151 -7.103
336 HCC3 23Y 102 HCC3 EVG 2 62.082 54.007 -8.288
337 HOC4 23Y 102 HOC4 EVG 2 59.370 52.898 -6.285
338 HCC5 23Y 102 HCC5 EVG 2 60.691 52.512 -4.533
339 HCD1 23Y 102 HCD1 EVG 2 63.238 50.270 -5.054
340 HCD2 23Y 102 HCD2 EVG 2 65.424 48.182 -5.141
341 HCE1 23Y 102 HCE1 EVG 2 61.225 48.521 -8.848
342 HOE2 23Y 102 HOE2 EVG 2 61.366 46.891 -10.353
343 HCE3 23Y 102 HCE3 EVG 2 64.321 45.569 -8.915
344 HCE4 23Y 102 HCE4 EVG 2 65.320 46.541 -6.900
345 HCE6 23Y 102 HCE6 EVG 2 62.215 49.545 -6.868
346 HCF5 23Y 102 HCF5 EVG 2 68.313 45.951 -2.212
347 HCF1 23Y 102 HCF1 EVG 2 68.612 48.541 -2.432
348 HCF2 23Y 102 HCF2 EVG 2 69.339 48.743 0.553
349 HOF2 23Y 102 HOF2 EVG 2 71.366 49.335 -0.437
350 HCF3 23Y 102 HCF3 EVG 2 70.728 46.998 -1.572
351 HOF3 23Y 102 HOF3 EVG 2 70.965 47.070 1.253
352 HCF4 23Y 102 HCF4 EVG 2 69.000 46.027 0.798
353 HOF4 23Y 102 HOF4 EVG 2 70.248 44.743 -1.414
354 HF61 23Y 102 HF61 EVG 2 66.629 45.224 0.267
355 HF62 23Y 102 HF62 EVG 2 66.000 45.351 -1.374
356 HCF6 23Y 102 HOF6 EVG 2 67.510 43.690 -1.984
Start of MODEL 3
1 H1 ASP 1 1H ASP 1 40.304 18.661 24.718
2 H2 ASP 1 2H ASP 1 39.942 19.964 25.686
3 H3 ASP 1 3H ASP 1 40.769 18.630 26.293
4 HA ASP 1 HA ASP 1 42.316 20.458 25.970
5 HB2 ASP 1 1HB ASP 1 42.629 17.913 24.233
6 HB3 ASP 1 2HB ASP 1 43.930 19.056 24.519
7 H ALA 2 H ALA 2 42.688 22.258 24.829
8 HA ALA 2 HA ALA 2 41.363 22.700 22.145
9 HB1 ALA 2 1HB ALA 2 41.106 24.425 23.933
10 HB2 ALA 2 2HB ALA 2 42.877 24.636 24.022
11 HB3 ALA 2 3HB ALA 2 41.996 25.087 22.547
12 H GLU 3 H GLU 3 42.419 22.692 20.286
13 HA GLU 3 HA GLU 3 45.481 22.853 20.175
14 HB2 GLU 3 1HB GLU 3 44.530 20.486 19.898
15 HB3 GLU 3 2HB GLU 3 43.706 21.026 18.442
16 HG2 GLU 3 1HG GLU 3 46.030 21.637 17.450
17 HG3 GLU 3 2HG GLU 3 46.774 20.994 18.917
18 H PHE 4 H PHE 4 45.917 24.728 19.238
19 HA PHE 4 HA PHE 4 43.977 26.075 17.317
20 HB2 PHE 4 2HB PHE 4 46.552 27.130 18.636
21 HB3 PHE 4 1HB PHE 4 45.637 28.022 17.460
22 HD1 PHE 4 HD2 PHE 4 43.393 28.993 17.993
23 HD2 PHE 4 HD1 PHE 4 45.607 26.800 20.958
24 HE1 PHE 4 HE2 PHE 4 41.950 29.913 19.765
25 HE2 PHE 4 HE1 PHE 4 44.153 27.724 22.716
26 HZ PHE 4 HZ PHE 4 42.326 29.282 22.125
27 H ARG 5 H ARG 5 44.210 25.866 15.206
28 HA ARG 5 HA ARG 5 46.953 25.286 13.949
29 HB2 ARG 5 1HB ARG 5 45.406 23.218 14.118
30 HB3 ARG 5 2HB ARG 5 44.280 24.048 13.073
31 HG2 ARG 5 1HG ARG 5 45.409 22.664 11.560
32 HG3 ARG 5 2HG ARG 5 46.206 24.191 11.298
33 HD2 ARG 5 1HD ARG 5 48.010 22.627 11.338
34 HD3 ARG 5 2HD ARG 5 48.098 23.366 12.908
35 HE ARG 5 HE ARG 5 47.263 21.317 13.997
36 HH11 ARG 5 1HH1 ARG 5 47.391 20.870 10.539
37 HH12 ARG 5 2HH1 ARG 5 47.304 19.053 10.720
38 HH21 ARG 5 1HH2 ARG 5 47.102 19.271 14.154
39 HH22 ARG 5 2HH2 ARG 5 47.173 18.217 12.674
40 H HIS 6 H HIS 6 47.474 27.008 12.759
41 HA HIS 6 HA HIS 6 45.386 28.932 11.767
42 HB2 HIS 6 1HB HIS 6 47.155 30.479 11.370
43 HB3 HIS 6 2HB HIS 6 47.300 29.813 12.968
44 HD2 HIS 6 HD2 HIS 6 49.125 29.917 9.554
45 HE1 HIS 6 HE1 HIS 6 51.802 28.219 12.263
46 HE2 HIS 6 HE2 HIS 6 51.652 29.119 9.848
47 H ASP 7 H ASP 7 44.417 28.526 9.914
48 HA ASP 7 HA ASP 7 46.038 27.597 7.473
49 HB2 ASP 7 2HB ASP 7 44.671 25.740 8.542
50 HB3 ASP 7 1HB ASP 7 43.196 26.634 8.198
51 H SER 8 H SER 8 42.705 28.875 8.005
52 HA SER 8 HA SER 8 43.403 31.226 6.172
53 HB2 SER 8 2HB SER 8 41.270 31.040 5.000
54 HB3 SER 8 1HB SER 8 42.210 29.555 4.817
55 HG SER 8 HG SER 8 40.048 29.078 5.317
56 H GLY 9 H GLY 9 43.085 33.064 7.168
57 HA2 GLY 9 1HA GLY 9 40.673 34.015 8.491
58 HA3 GLY 9 2HA GLY 9 41.671 33.328 9.766
59 H TYR 10 H TYR 10 41.472 35.842 7.362
60 HA TYR 10 HA TYR 10 43.989 37.235 8.413
61 HB2 TYR 10 1HB TYR 10 42.230 37.848 5.967
62 HB3 TYR 10 2HB TYR 10 43.501 38.896 6.520
63 HD1 TYR 10 HD1 TYR 10 45.915 38.259 6.302
64 HD2 TYR 10 HD2 TYR 10 42.804 35.644 4.892
65 HE1 TYR 10 HE1 TYR 10 47.569 36.975 4.999
66 HE2 TYR 10 HE2 TYR 10 44.467 34.368 3.607
67 HH TYR 10 HH TYR 10 46.615 34.162 3.058
68 H GLU 11 H GLU 11 43.517 38.176 10.264
69 HA GLU 11 HA GLU 11 41.336 40.324 10.393
70 HB2 GLU 11 1HB GLU 11 41.797 38.136 12.506
71 HB3 GLU 11 2HB GLU 11 40.994 39.644 12.874
72 HG2 GLU 11 2HG GLU 11 39.918 37.752 10.678
73 HG3 GLU 11 1HG GLU 11 39.463 37.629 12.371
74 H VAL 12 H VAL 12 42.863 41.849 10.105
75 HA VAL 12 HA VAL 12 44.638 42.491 12.459
76 HB VAL 12 HB VAL 12 46.575 43.254 11.106
77 HG11 VAL 12 1HG2 VAL 12 47.739 41.083 11.028
78 HG12 VAL 12 2HG2 VAL 12 46.192 40.202 11.021
79 HG13 VAL 12 3HG2 VAL 12 46.677 41.136 12.448
80 HG21 VAL 12 1HG1 VAL 12 45.576 41.472 8.791
81 HG22 VAL 12 2HG1 VAL 12 45.664 43.249 8.751
82 HG23 VAL 12 3HG1 VAL 12 47.147 42.302 8.901
83 H HIS 13 H HIS 13 43.618 44.261 13.074
84 HA HIS 13 HA HIS 13 42.442 46.210 11.125
85 HB2 HIS 13 2HB HIS 13 42.478 46.183 14.204
86 HB3 HIS 13 1HB HIS 13 41.777 47.482 13.276
87 HD2 HIS 13 HD2 HIS 13 39.523 46.983 11.783
88 HE1 HIS 13 HE1 HIS 13 38.593 43.355 13.622
89 HE2 HIS 13 HE2 HIS 13 37.597 45.154 12.074
90 H HIS 14 H HIS 14 45.035 46.616 13.606
91 HA HIS 14 HA HIS 14 45.829 49.254 12.311
92 HB2 HIS 14 2HB HIS 14 46.885 47.858 14.848
93 HB3 HIS 14 1HB HIS 14 47.589 49.310 14.182
94 HD2 HIS 14 HD2 HIS 14 46.165 51.649 14.291
95 HE1 HIS 14 HE1 HIS 14 43.299 50.284 16.998
96 HE2 HIS 14 HE2 HIS 14 44.207 52.445 15.921
97 H GLN 15 H GLN 15 47.278 49.308 10.766
98 HA GLN 15 HA GLN 15 48.985 46.918 10.075
99 HB2 GLN 15 2HB GLN 15 47.593 48.255 8.400
100 HB3 GLN 15 1HB GLN 15 48.691 49.613 8.615
101 HG2 GLN 15 2HG GLN 15 50.610 48.091 7.742
102 HG3 GLN 15 1HG GLN 15 49.439 46.800 7.534
103 HE21 GLN 15 2HE2 GLN 15 50.601 49.773 6.186
104 HE22 GLN 15 1HE2 GLN 15 49.499 49.699 4.710
105 H LYS 16 H LYS 16 51.150 46.883 10.135
106 HA LYS 16 HA LYS 16 52.755 49.148 11.463
107 HB2 LYS 16 2HB LYS 16 52.528 47.019 12.868
108 HB3 LYS 16 1HB LYS 16 53.301 46.102 11.587
109 HG2 LYS 16 1HG LYS 16 55.403 47.598 11.886
110 HG3 LYS 16 2HG LYS 16 54.550 48.451 13.157
111 HD2 LYS 16 2HD LYS 16 55.831 46.970 14.437
112 HD3 LYS 16 1HD LYS 16 54.280 46.191 14.408
113 HE2 LYS 16 1HE LYS 16 55.792 44.401 14.079
114 HE3 LYS 16 2HE LYS 16 55.150 44.665 12.465
115 HZ1 LYS 16 2HZ LYS 16 57.214 46.019 11.965
116 HZ2 LYS 16 3HZ LYS 16 57.647 44.506 12.444
117 HZ3 LYS 16 1HZ LYS 16 57.785 45.773 13.479
118 H LEU 17 H LEU 17 53.556 50.154 9.627
119 HA LEU 17 HA LEU 17 53.420 49.046 7.057
120 HB2 LEU 17 1HB LEU 17 53.582 51.531 7.765
121 HB3 LEU 17 2HB LEU 17 55.308 51.371 7.607
122 HG LEU 17 HG LEU 17 54.311 52.450 5.689
123 HD11 LEU 17 2HD1 LEU 17 56.327 51.046 5.167
124 HD12 LEU 17 3HD1 LEU 17 55.245 51.249 3.776
125 HD13 LEU 17 1HD1 LEU 17 55.264 49.709 4.659
126 HD21 LEU 17 1HD2 LEU 17 52.668 49.936 5.008
127 HD22 LEU 17 2HD2 LEU 17 52.719 51.466 4.111
128 HD23 LEU 17 3HD2 LEU 17 52.017 51.436 5.736
129 H VAL 18 H VAL 18 54.304 47.197 6.754
130 HA VAL 18 HA VAL 18 57.138 47.119 5.743
131 HB VAL 18 HB VAL 18 57.520 44.770 6.528
132 HG11 VAL 18 1HG2 VAL 18 58.757 46.703 7.548
133 HG12 VAL 18 2HG2 VAL 18 58.550 45.363 8.692
134 HG13 VAL 18 3HG2 VAL 18 57.530 46.820 8.826
135 HG21 VAL 18 1HG1 VAL 18 55.434 45.239 8.755
136 HG22 VAL 18 2HG1 VAL 18 55.254 44.098 7.413
137 HG23 VAL 18 3HG1 VAL 18 56.541 43.850 8.598
138 H PHE 19 H PHE 19 56.355 47.186 3.707
139 HA PHE 19 HA PHE 19 53.764 46.025 2.953
140 HB2 PHE 19 1HB PHE 19 54.867 48.139 1.977
141 HB3 PHE 19 2HB PHE 19 55.934 47.109 1.058
142 HD1 PHE 19 HD1 PHE 19 54.997 45.736 -0.866
143 HD2 PHE 19 HD2 PHE 19 52.447 48.338 1.425
144 HE1 PHE 19 HE1 PHE 19 53.280 45.621 -2.628
145 HE2 PHE 19 HE2 PHE 19 50.745 48.215 -0.350
146 HZ PHE 19 HZ PHE 19 51.157 46.861 -2.376
147 H PHE 20 H PHE 20 53.299 44.047 2.282
148 HA PHE 20 HA PHE 20 55.513 42.084 1.472
149 HB2 PHE 20 2HB PHE 20 52.658 41.559 2.494
150 HB3 PHE 20 1HB PHE 20 53.669 40.327 1.799
151 HD1 PHE 20 HD1 PHE 20 55.705 39.472 2.976
152 HD2 PHE 20 HD2 PHE 20 53.239 42.506 4.772
153 HE1 PHE 20 HE1 PHE 20 56.761 39.051 5.162
154 HE2 PHE 20 HE2 PHE 20 54.285 42.054 6.951
155 HZ PHE 20 HZ PHE 20 56.058 40.342 7.150
156 H ALA 21 H ALA 21 55.784 41.936 -0.632
157 HA ALA 21 HA ALA 21 53.794 42.746 -2.689
158 HB1 ALA 21 1HB ALA 21 56.282 43.030 -2.963
159 HB2 ALA 21 2HB ALA 21 56.515 41.262 -2.906
160 HB3 ALA 21 3HB ALA 21 55.633 42.004 -4.256
161 H GLU 22 H GLU 22 52.738 41.421 -4.233
162 HA GLU 22 HA GLU 22 51.796 38.762 -3.282
163 HB2 GLU 22 1HB GLU 22 51.193 40.366 -5.828
164 HB3 GLU 22 2HB GLU 22 50.497 38.799 -5.495
165 HG2 GLU 22 2HG GLU 22 49.349 39.623 -3.437
166 HG3 GLU 22 1HG GLU 22 50.063 41.223 -3.635
167 H ASP 23 H ASP 23 54.085 38.084 -3.255
168 HA ASP 23 HA ASP 23 54.344 35.755 -5.030
169 HB2 ASP 23 1HB ASP 23 55.425 37.546 -6.556
170 HB3 ASP 23 2HB ASP 23 56.681 37.761 -5.346
171 H VAL 24 H VAL 24 54.444 34.568 -3.192
172 HA VAL 24 HA VAL 24 56.786 34.846 -1.310
173 HB VAL 24 HB VAL 24 53.945 34.765 -0.126
174 HG11 VAL 24 1HG1 VAL 24 55.061 34.972 2.112
175 HG12 VAL 24 2HG1 VAL 24 55.663 33.529 1.295
176 HG13 VAL 24 3HG1 VAL 24 56.670 34.993 1.350
177 HG21 VAL 24 1HG2 VAL 24 54.455 37.122 -0.877
178 HG22 VAL 24 2HG2 VAL 24 54.368 37.009 0.883
179 HG23 VAL 24 3HG2 VAL 24 55.953 37.117 0.070
180 H GLY 25 H GLY 25 57.498 32.898 -0.745
181 HA2 GLY 25 1HA GLY 25 57.340 30.452 -0.222
182 HA3 GLY 25 2HA GLY 25 55.777 30.372 -0.999
183 H SER 26 H SER 26 59.229 30.692 -1.628
184 HA SER 26 HA SER 26 58.875 29.244 -4.328
185 HB2 SER 26 1HB SER 26 60.614 31.747 -3.874
186 HB3 SER 26 2HB SER 26 60.625 30.739 -5.320
187 HG SER 26 HG SER 26 58.308 32.040 -4.283
188 H ASN 27 H ASN 27 59.288 27.550 -2.763
189 HA ASN 27 HA ASN 27 61.900 26.395 -3.152
190 HB2 ASN 27 1HB ASN 27 62.461 28.052 -1.150
191 HB3 ASN 27 2HB ASN 27 61.541 26.973 -0.138
192 HD21 ASN 27 1HD2 ASN 27 64.503 27.314 -2.002
193 HD22 ASN 27 2HD2 ASN 27 65.269 25.817 -1.243
194 H LYS 28 H LYS 28 59.129 26.251 -0.874
195 HA LYS 28 HA LYS 28 59.160 23.303 -0.686
196 HB2 LYS 28 2HB LYS 28 57.185 23.493 0.701
197 HB3 LYS 28 1HB LYS 28 58.377 24.674 1.168
198 HG2 LYS 28 2HG LYS 28 56.971 26.409 -0.255
199 HG3 LYS 28 1HG LYS 28 55.713 25.206 -0.333
200 HD2 LYS 28 2HD LYS 28 56.929 26.236 2.333
201 HD3 LYS 28 1HD LYS 28 55.628 27.069 1.502
202 HE2 LYS 28 1HE LYS 28 54.127 25.031 1.700
203 HE3 LYS 28 2HE LYS 28 55.408 24.158 2.546
204 HZ1 LYS 28 2HZ LYS 28 54.189 26.759 3.516
205 HZ2 LYS 28 3HZ LYS 28 55.369 25.947 4.306
206 HZ3 LYS 28 1HZ LYS 28 53.872 25.287 4.169
207 H GLY 29 H GLY 29 57.679 21.791 -1.414
208 HA2 GLY 29 1HA GLY 29 55.466 22.095 -3.233
209 HA3 GLY 29 2HA GLY 29 56.880 22.066 -4.278
210 H ALA 30 H ALA 30 58.086 20.144 -4.418
211 HA ALA 30 HA ALA 30 57.013 17.636 -3.025
212 HB1 ALA 30 1HB ALA 30 55.981 17.710 -5.308
213 HB2 ALA 30 2HB ALA 30 57.145 16.374 -5.186
214 HB3 ALA 30 3HB ALA 30 57.593 17.858 -6.059
215 H ILE 31 H ILE 31 58.589 16.436 -2.194
216 HA ILE 31 HA ILE 31 61.521 16.852 -3.065
217 HB ILE 31 HB ILE 31 60.486 15.895 -0.352
218 HG12 ILE 31 1HG1 ILE 31 62.104 18.492 -0.784
219 HG13 ILE 31 2HG1 ILE 31 60.373 18.519 -0.972
220 HG21 ILE 31 2HG2 ILE 31 62.886 15.937 0.382
221 HG22 ILE 31 3HG2 ILE 31 63.412 16.431 -1.243
222 HG23 ILE 31 1HG2 ILE 31 62.696 14.825 -0.978
223 HD11 ILE 31 1HD1 ILE 31 61.781 17.704 1.645
224 HD12 ILE 31 2HD1 ILE 31 60.017 17.685 1.381
225 HD13 ILE 31 3HD1 ILE 31 60.913 19.216 1.312
226 H ILE 32 H ILE 32 61.559 15.419 -4.709
227 HA ILE 32 HA ILE 32 61.345 12.483 -4.096
228 HB ILE 32 HB ILE 32 60.097 11.840 -6.143
229 HG12 ILE 32 2HG1 ILE 32 58.729 14.585 -6.239
230 HG13 ILE 32 1HG1 ILE 32 60.138 14.294 -7.219
231 HG21 ILE 32 3HG2 ILE 32 58.391 13.313 -4.051
232 HG22 ILE 32 1HG2 ILE 32 59.073 11.684 -3.880
233 HG23 ILE 32 2HG2 ILE 32 57.846 12.000 -5.119
234 HD11 ILE 32 1HD1 ILE 32 57.552 12.638 -7.446
235 HD12 ILE 32 2HD1 ILE 32 58.156 13.863 -8.583
236 HD13 ILE 32 3HD1 ILE 32 59.044 12.340 -8.375
237 H GLY 33 H GLY 33 62.014 14.642 -6.899
238 HA2 GLY 33 1HA GLY 33 64.822 13.751 -7.086
239 HA3 GLY 33 2HA GLY 33 63.873 12.822 -8.239
240 H LEU 34 H LEU 34 62.797 13.997 -9.945
241 HA LEU 34 HA LEU 34 64.281 16.482 -10.851
242 HB2 LEU 34 1HB LEU 34 62.185 14.746 -12.299
243 HB3 LEU 34 2HB LEU 34 62.868 16.198 -12.967
244 HG LEU 34 HG LEU 34 63.821 14.334 -14.029
245 HD11 LEU 34 2HD1 LEU 34 65.334 16.319 -13.737
246 HD12 LEU 34 3HD1 LEU 34 66.079 15.539 -12.316
247 HD13 LEU 34 1HD1 LEU 34 66.215 14.794 -13.924
248 HD21 LEU 34 1HD2 LEU 34 65.204 12.581 -13.052
249 HD22 LEU 34 2HD2 LEU 34 65.051 13.269 -11.421
250 HD23 LEU 34 3HD2 LEU 34 63.625 12.582 -12.243
251 H MET 35 H MET 35 63.373 18.475 -11.061
252 HA MET 35 HA MET 35 60.662 19.012 -9.772
253 HB2 MET 35 1HB MET 35 62.820 20.208 -9.058
254 HB3 MET 35 2HB MET 35 62.834 21.030 -10.608
255 HG2 MET 35 2HG MET 35 60.585 21.212 -8.476
256 HG3 MET 35 1HG MET 35 61.866 22.396 -8.704
257 HE1 MET 35 2HE MET 35 61.660 24.454 -10.177
258 HE2 MET 35 1HE MET 35 62.261 23.377 -11.481
259 HE3 MET 35 3HE MET 35 60.861 24.445 -11.772
260 H VAL 36 H VAL 36 58.967 19.078 -11.124
261 HA VAL 36 HA VAL 36 59.331 19.714 -14.076
262 HB VAL 36 HB VAL 36 58.249 17.612 -13.494
263 HG11 VAL 36 1HG1 VAL 36 55.911 17.408 -12.762
264 HG12 VAL 36 2HG1 VAL 36 56.819 18.259 -11.499
265 HG13 VAL 36 3HG1 VAL 36 55.743 19.169 -12.581
266 HG21 VAL 36 1HG2 VAL 36 56.496 17.700 -15.217
267 HG22 VAL 36 2HG2 VAL 36 56.403 19.474 -15.112
268 HG23 VAL 36 3HG2 VAL 36 57.876 18.684 -15.727
269 H GLY 37 H GLY 37 59.584 21.841 -14.168
270 HA2 GLY 37 1HA GLY 37 57.221 23.694 -13.866
271 HA3 GLY 37 2HA GLY 37 58.429 23.922 -12.609
272 H GLY 38 H GLY 38 57.868 24.037 -16.048
273 HA2 GLY 38 1HA GLY 38 59.739 26.372 -16.452
274 HA3 GLY 38 2HA GLY 38 60.376 24.871 -17.115
275 H VAL 39 H VAL 39 57.809 27.211 -17.341
276 HA VAL 39 HA VAL 39 57.289 26.378 -20.211
277 HB VAL 39 HB VAL 39 55.620 25.185 -18.857
278 HG11 VAL 39 1HG1 VAL 39 54.219 27.868 -18.248
279 HG12 VAL 39 2HG1 VAL 39 55.076 26.868 -17.046
280 HG13 VAL 39 3HG1 VAL 39 53.635 26.237 -17.864
281 HG21 VAL 39 1HG2 VAL 39 53.691 25.613 -20.326
282 HG22 VAL 39 2HG2 VAL 39 54.340 27.202 -20.800
283 HG23 VAL 39 3HG2 VAL 39 55.191 25.709 -21.263
284 H VAL 40 H VAL 40 56.226 28.995 -17.948
285 HA VAL 40 HA VAL 40 56.818 30.983 -20.187
286 HB VAL 40 HB VAL 40 54.498 30.979 -19.281
287 HG11 VAL 40 1HG1 VAL 40 55.601 32.250 -16.695
288 HG12 VAL 40 2HG1 VAL 40 53.887 32.028 -17.129
289 HG13 VAL 40 3HG1 VAL 40 54.918 30.617 -16.799
290 HG21 VAL 40 1HG2 VAL 40 54.234 33.429 -19.221
291 HG22 VAL 40 2HG2 VAL 40 55.968 33.649 -18.872
292 HG23 VAL 40 3HG2 VAL 40 55.447 32.985 -20.438
293 HCG9 23Y 101 HCG9 EVG 1 47.208 40.472 -0.082
294 HCG3 23Y 101 HCG3 EVG 1 45.804 43.574 2.857
295 HCG7 23Y 101 HCG7 EVG 1 43.487 38.447 0.371
296 HCG4 23Y 101 HCG4 EVG 1 45.213 41.030 4.460
297 HCB1 23Y 101 HCB1 EVG 1 48.318 41.227 4.354
298 HCB2 23Y 101 HCB2 EVG 1 49.727 41.822 6.278
299 HOB3 23Y 101 HOB3 EVG 1 50.113 43.300 7.895
300 HCB4 23Y 101 HCB4 EVG 1 47.429 45.391 6.876
301 HCB5 23Y 101 HCB5 EVG 1 46.013 44.811 4.953
302 HCC1 23Y 101 HCC1 EVG 1 43.141 43.232 2.089
303 HOC2 23Y 101 HOC2 EVG 1 40.283 45.059 3.098
304 HCC3 23Y 101 HCC3 EVG 1 40.564 44.536 5.243
305 HOC4 23Y 101 HOC4 EVG 1 42.525 42.885 7.677
306 HCC5 23Y 101 HCC5 EVG 1 43.921 42.064 6.158
307 HCD1 23Y 101 HCD1 EVG 1 42.559 40.125 3.724
308 HCD2 23Y 101 HCD2 EVG 1 41.710 38.140 1.606
309 HCE1 23Y 101 HCE1 EVG 1 38.734 39.309 6.215
310 HOE2 23Y 101 HOE2 EVG 1 36.891 38.070 6.303
311 HCE3 23Y 101 HCE3 EVG 1 37.628 36.426 3.248
312 HCE4 23Y 101 HCE4 EVG 1 39.663 36.936 1.973
313 HCE6 23Y 101 HCE6 EVG 1 40.752 39.855 4.964
314 HCF5 23Y 101 HCF5 EVG 1 43.499 40.654 -3.997
315 HCF1 23Y 101 HCF1 EVG 1 45.644 40.090 -2.647
316 HCF2 23Y 101 HCF2 EVG 1 45.202 37.079 -3.150
317 HOF2 23Y 101 HOF2 EVG 1 47.344 37.900 -2.655
318 HCF3 23Y 101 HCF3 EVG 1 45.505 39.314 -5.250
319 HOF3 23Y 101 HOF3 EVG 1 44.882 36.552 -5.393
320 HCF4 23Y 101 HCF4 EVG 1 42.965 37.680 -4.598
321 HOF4 23Y 101 HOF4 EVG 1 43.591 39.856 -6.312
322 HF61 23Y 101 HF61 EVG 1 41.096 40.104 -4.449
323 HF62 23Y 101 HF62 EVG 1 41.386 40.620 -2.780
324 HCF6 23Y 101 HCF6 EVG 1 40.063 38.756 -2.881
325 HCG9 23Y 102 HCG9 EVG 2 70.601 26.143 2.181
326 HCG3 23Y 102 HCG3 EVG 2 69.911 22.421 -0.215
327 HCG7 23Y 102 HCG7 EVG 2 66.679 25.749 3.831
328 HCG4 23Y 102 HCG4 EVG 2 67.381 23.986 -0.942
329 HCB1 23Y 102 HCB1 EVG 2 69.728 25.546 -2.286
330 HCB2 23Y 102 HCB2 EVG 2 70.146 25.568 -4.717
331 HOB3 23Y 102 HOB3 EVG 2 70.480 22.558 -6.564
332 HCB4 23Y 102 HCB4 EVG 2 70.176 21.285 -4.762
333 HCB5 23Y 102 HCB5 EVG 2 69.758 21.243 -2.344
334 HCC1 23Y 102 HCC1 EVG 2 68.206 21.381 1.741
335 HOC2 23Y 102 HOC2 EVG 2 67.783 19.397 2.640
336 HCC3 23Y 102 HCC3 EVG 2 65.662 18.440 -0.042
337 HOC4 23Y 102 HOC4 EVG 2 64.985 20.567 -2.802
338 HCC5 23Y 102 HCC5 EVG 2 66.261 22.190 -2.005
339 HCD1 23Y 102 HCD1 EVG 2 65.373 23.389 1.079
340 HCD2 23Y 102 HCD2 EVG 2 64.695 24.837 3.643
341 HCE1 23Y 102 HCE1 EVG 2 61.099 21.623 0.775
342 HOE2 23Y 102 HOE2 EVG 2 59.124 21.539 1.806
343 HCE3 23Y 102 HCE3 EVG 2 60.131 23.814 4.326
344 HCE4 23Y 102 HCE4 EVG 2 62.431 24.664 4.442
345 HCE6 23Y 102 HCE6 EVG 2 63.394 22.433 0.876
346 HCF5 23Y 102 HCF5 EVG 2 66.021 28.061 6.467
347 HCF1 23Y 102 HCF1 EVG 2 68.053 26.579 5.838
348 HCF2 23Y 102 HCF2 EVG 2 69.787 29.085 5.356
349 HOF2 23Y 102 HOF2 EVG 2 69.983 27.054 7.336
350 HCF3 23Y 102 HCF3 EVG 2 68.241 28.392 7.931
351 HOF3 23Y 102 HOF3 EVG 2 68.836 30.580 8.340
352 HCF4 23Y 102 HCF4 EVG 2 67.623 30.653 5.937
353 HOF4 23Y 102 HOF4 EVG 2 65.812 30.819 7.344
354 HF61 23Y 102 HF61 EVG 2 65.600 30.282 4.364
355 HF62 23Y 102 HF62 EVG 2 64.591 30.056 5.801
356 HCF6 23Y 102 HOF6 EVG 2 64.173 27.889 4.995
Start of MODEL 4
1 H1 ASP 1 1H ASP 1 30.346 40.188 23.131
2 H2 ASP 1 2H ASP 1 30.142 38.574 23.378
3 H3 ASP 1 3H ASP 1 31.551 39.304 23.847
4 HA ASP 1 HA ASP 1 30.384 40.673 25.469
5 HB2 ASP 1 1HB ASP 1 28.271 40.694 24.036
6 HB3 ASP 1 2HB ASP 1 27.875 39.079 24.624
7 H ALA 2 H ALA 2 29.247 37.208 25.265
8 HA ALA 2 HA ALA 2 30.912 36.656 27.788
9 HB1 ALA 2 1HB ALA 2 28.462 36.740 28.206
10 HB2 ALA 2 2HB ALA 2 29.107 35.109 28.479
11 HB3 ALA 2 3HB ALA 2 28.178 35.458 27.001
12 H GLU 3 H GLU 3 29.670 34.858 24.891
13 HA GLU 3 HA GLU 3 31.686 32.674 25.382
14 HB2 GLU 3 1HB GLU 3 29.252 32.302 24.591
15 HB3 GLU 3 2HB GLU 3 29.715 32.980 23.041
16 HG2 GLU 3 2HG GLU 3 29.833 30.603 22.748
17 HG3 GLU 3 1HG GLU 3 31.526 31.052 22.896
18 H PHE 4 H PHE 4 33.541 32.420 24.309
19 HA PHE 4 HA PHE 4 34.539 34.607 22.429
20 HB2 PHE 4 2HB PHE 4 36.064 32.331 23.835
21 HB3 PHE 4 1HB PHE 4 36.794 33.421 22.695
22 HD1 PHE 4 HD1 PHE 4 37.223 35.824 23.261
23 HD2 PHE 4 HD2 PHE 4 35.399 33.177 26.120
24 HE1 PHE 4 HE1 PHE 4 37.698 37.431 25.067
25 HE2 PHE 4 HE2 PHE 4 35.875 34.794 27.910
26 HZ PHE 4 HZ PHE 4 37.027 36.921 27.392
27 H ARG 5 H ARG 5 34.554 34.313 20.309
28 HA ARG 5 HA ARG 5 34.618 31.493 19.091
29 HB2 ARG 5 2HB ARG 5 32.274 32.609 19.077
30 HB3 ARG 5 1HB ARG 5 32.945 33.848 18.045
31 HG2 ARG 5 2HG ARG 5 31.911 32.439 16.514
32 HG3 ARG 5 1HG ARG 5 33.586 31.936 16.358
33 HD2 ARG 5 2HD ARG 5 33.076 29.918 17.884
34 HD3 ARG 5 1HD ARG 5 31.402 30.497 18.037
35 HE ARG 5 HE ARG 5 32.297 30.201 15.180
36 HH11 ARG 5 2HH1 ARG 5 30.859 28.424 17.825
37 HH12 ARG 5 1HH1 ARG 5 30.132 27.201 16.678
38 HH21 ARG 5 2HH2 ARG 5 31.455 28.780 13.934
39 HH22 ARG 5 1HH2 ARG 5 30.467 27.405 14.597
40 H HIS 6 H HIS 6 36.516 31.331 18.079
41 HA HIS 6 HA HIS 6 38.021 33.757 17.124
42 HB2 HIS 6 2HB HIS 6 39.935 32.336 16.919
43 HB3 HIS 6 1HB HIS 6 39.196 32.107 18.475
44 HD2 HIS 6 HD2 HIS 6 39.956 30.225 15.179
45 HE1 HIS 6 HE1 HIS 6 38.624 27.350 17.891
46 HE2 HIS 6 HE2 HIS 6 39.682 27.596 15.551
47 H ASP 7 H ASP 7 37.795 34.547 15.088
48 HA ASP 7 HA ASP 7 36.664 32.817 12.906
49 HB2 ASP 7 2HB ASP 7 36.325 34.828 11.646
50 HB3 ASP 7 1HB ASP 7 35.596 34.944 13.234
51 H SER 8 H SER 8 37.943 31.720 11.650
52 HA SER 8 HA SER 8 40.894 32.291 11.429
53 HB2 SER 8 1HB SER 8 41.066 30.118 10.328
54 HB3 SER 8 2HB SER 8 40.148 29.969 11.823
55 HG SER 8 HG SER 8 38.904 30.361 9.281
56 H GLY 9 H GLY 9 41.747 33.432 9.859
57 HA2 GLY 9 1HA GLY 9 41.470 33.221 7.027
58 HA3 GLY 9 2HA GLY 9 40.212 34.380 7.452
59 H TYR 10 H TYR 10 40.816 36.405 8.177
60 HA TYR 10 HA TYR 10 43.758 37.131 8.474
61 HB2 TYR 10 1HB TYR 10 41.862 38.490 6.469
62 HB3 TYR 10 2HB TYR 10 43.322 39.251 7.041
63 HD1 TYR 10 HD1 TYR 10 45.588 38.404 6.358
64 HD2 TYR 10 HD2 TYR 10 42.002 36.554 4.873
65 HE1 TYR 10 HE1 TYR 10 46.891 37.264 4.598
66 HE2 TYR 10 HE2 TYR 10 43.312 35.413 3.139
67 HH TYR 10 HH TYR 10 45.330 35.087 2.269
68 H GLU 11 H GLU 11 43.767 37.955 10.446
69 HA GLU 11 HA GLU 11 41.623 39.986 11.302
70 HB2 GLU 11 1HB GLU 11 41.285 37.664 12.319
71 HB3 GLU 11 2HB GLU 11 42.855 37.817 13.089
72 HG2 GLU 11 1HG GLU 11 41.252 38.388 14.763
73 HG3 GLU 11 2HG GLU 11 41.944 39.938 14.313
74 H VAL 12 H VAL 12 42.980 41.592 10.599
75 HA VAL 12 HA VAL 12 45.124 42.418 12.533
76 HB VAL 12 HB VAL 12 46.410 41.097 10.914
77 HG11 VAL 12 1HG1 VAL 12 45.863 43.223 8.744
78 HG12 VAL 12 2HG1 VAL 12 45.214 41.567 8.737
79 HG13 VAL 12 3HG1 VAL 12 46.968 41.838 8.640
80 HG21 VAL 12 1HG2 VAL 12 48.285 42.669 10.613
81 HG22 VAL 12 2HG2 VAL 12 47.216 44.074 10.836
82 HG23 VAL 12 3HG2 VAL 12 47.522 42.951 12.185
83 H HIS 13 H HIS 13 43.980 44.123 13.195
84 HA HIS 13 HA HIS 13 42.430 45.865 11.351
85 HB2 HIS 13 2HB HIS 13 42.952 46.068 14.381
86 HB3 HIS 13 1HB HIS 13 42.021 47.254 13.506
87 HD2 HIS 13 HD2 HIS 13 39.595 46.519 12.445
88 HE1 HIS 13 HE1 HIS 13 39.256 42.941 14.569
89 HE2 HIS 13 HE2 HIS 13 37.885 44.584 13.142
90 H HIS 14 H HIS 14 45.320 46.639 13.348
91 HA HIS 14 HA HIS 14 45.771 49.129 11.610
92 HB2 HIS 14 1HB HIS 14 46.971 48.376 14.345
93 HB3 HIS 14 2HB HIS 14 47.549 49.703 13.371
94 HD2 HIS 14 HD2 HIS 14 45.908 51.901 13.027
95 HE1 HIS 14 HE1 HIS 14 43.216 50.892 16.047
96 HE2 HIS 14 HE2 HIS 14 43.917 52.852 14.531
97 H GLN 15 H GLN 15 47.128 48.898 9.998
98 HA GLN 15 HA GLN 15 49.181 46.653 9.889
99 HB2 GLN 15 2HB GLN 15 47.503 47.124 8.048
100 HB3 GLN 15 1HB GLN 15 48.273 48.681 7.759
101 HG2 GLN 15 2HG GLN 15 50.453 47.399 7.177
102 HG3 GLN 15 1HG GLN 15 49.577 45.893 7.434
103 HE21 GLN 15 2HE2 GLN 15 50.049 48.510 5.221
104 HE22 GLN 15 1HE2 GLN 15 48.956 47.793 3.922
105 H LYS 16 H LYS 16 50.663 47.391 11.424
106 HA LYS 16 HA LYS 16 52.116 50.064 10.974
107 HB2 LYS 16 2HB LYS 16 52.168 48.102 13.323
108 HB3 LYS 16 1HB LYS 16 53.268 49.441 13.195
109 HG2 LYS 16 1HG LYS 16 50.205 49.858 13.213
110 HG3 LYS 16 2HG LYS 16 51.159 49.719 14.678
111 HD2 LYS 16 1HD LYS 16 52.576 51.677 14.027
112 HD3 LYS 16 2HD LYS 16 51.676 51.912 12.549
113 HE2 LYS 16 1HE LYS 16 50.386 52.029 15.388
114 HE3 LYS 16 2HE LYS 16 51.119 53.427 14.622
115 HZ1 LYS 16 2HZ LYS 16 48.823 51.886 13.423
116 HZ2 LYS 16 3HZ LYS 16 48.694 53.364 14.138
117 HZ3 LYS 16 1HZ LYS 16 49.522 53.194 12.728
118 H LEU 17 H LEU 17 52.900 49.263 8.982
119 HA LEU 17 HA LEU 17 55.689 48.444 9.089
120 HB2 LEU 17 1HB LEU 17 55.784 46.436 7.774
121 HB3 LEU 17 2HB LEU 17 55.024 46.117 9.300
122 HG LEU 17 HG LEU 17 53.356 46.476 6.727
123 HD11 LEU 17 2HD1 LEU 17 55.046 44.661 6.300
124 HD12 LEU 17 3HD1 LEU 17 53.410 43.995 6.432
125 HD13 LEU 17 1HD1 LEU 17 54.546 43.823 7.789
126 HD21 LEU 17 1HD2 LEU 17 52.772 44.930 9.356
127 HD22 LEU 17 2HD2 LEU 17 52.046 46.481 8.885
128 HD23 LEU 17 3HD2 LEU 17 51.696 45.024 7.942
129 H VAL 18 H VAL 18 56.750 49.127 7.221
130 HA VAL 18 HA VAL 18 55.135 50.714 5.242
131 HB VAL 18 HB VAL 18 57.225 51.299 4.098
132 HG11 VAL 18 1HG2 VAL 18 56.185 52.808 5.807
133 HG12 VAL 18 2HG2 VAL 18 57.201 52.085 7.076
134 HG13 VAL 18 3HG2 VAL 18 57.945 52.988 5.734
135 HG21 VAL 18 1HG1 VAL 18 58.793 50.060 6.451
136 HG22 VAL 18 2HG1 VAL 18 58.793 49.443 4.782
137 HG23 VAL 18 3HG1 VAL 18 59.446 51.051 5.126
138 H PHE 19 H PHE 19 53.881 49.176 4.385
139 HA PHE 19 HA PHE 19 54.572 46.728 3.235
140 HB2 PHE 19 2HB PHE 19 52.381 46.647 2.229
141 HB3 PHE 19 1HB PHE 19 52.289 47.355 3.802
142 HD1 PHE 19 HD2 PHE 19 51.717 49.831 4.057
143 HD2 PHE 19 HD1 PHE 19 51.817 47.966 0.183
144 HE1 PHE 19 HE2 PHE 19 50.442 51.711 3.111
145 HE2 PHE 19 HE1 PHE 19 50.540 49.854 -0.749
146 HZ PHE 19 HZ PHE 19 49.853 51.729 0.711
147 H PHE 20 H PHE 20 55.354 45.901 1.418
148 HA PHE 20 HA PHE 20 55.541 47.551 -1.122
149 HB2 PHE 20 2HB PHE 20 57.861 46.988 -1.573
150 HB3 PHE 20 1HB PHE 20 57.681 48.007 -0.184
151 HD1 PHE 20 HD2 PHE 20 58.635 44.573 -1.296
152 HD2 PHE 20 HD1 PHE 20 58.388 47.234 2.065
153 HE1 PHE 20 HE2 PHE 20 60.068 43.058 0.008
154 HE2 PHE 20 HE1 PHE 20 59.813 45.707 3.370
155 HZ PHE 20 HZ PHE 20 60.656 43.616 2.346
156 H ALA 21 H ALA 21 54.489 46.427 -2.590
157 HA ALA 21 HA ALA 21 54.412 43.374 -2.524
158 HB1 ALA 21 1HB ALA 21 52.862 45.398 -4.247
159 HB2 ALA 21 2HB ALA 21 52.287 44.597 -2.757
160 HB3 ALA 21 3HB ALA 21 52.623 43.635 -4.211
161 H GLU 22 H GLU 22 56.739 43.420 -2.871
162 HA GLU 22 HA GLU 22 57.684 43.865 -5.735
163 HB2 GLU 22 2HB GLU 22 59.201 43.170 -3.146
164 HB3 GLU 22 1HB GLU 22 59.975 43.241 -4.707
165 HG2 GLU 22 1HG GLU 22 58.503 45.702 -3.562
166 HG3 GLU 22 2HG GLU 22 60.192 45.346 -3.219
167 H ASP 23 H ASP 23 58.261 42.246 -7.067
168 HA ASP 23 HA ASP 23 57.575 39.373 -6.366
169 HB2 ASP 23 1HB ASP 23 56.788 40.527 -8.502
170 HB3 ASP 23 2HB ASP 23 58.450 40.535 -9.077
171 H VAL 24 H VAL 24 59.143 38.786 -4.980
172 HA VAL 24 HA VAL 24 62.104 39.004 -5.716
173 HB VAL 24 HB VAL 24 60.949 37.882 -3.107
174 HG11 VAL 24 1HG2 VAL 24 63.330 37.135 -3.659
175 HG12 VAL 24 2HG2 VAL 24 63.252 38.132 -2.201
176 HG13 VAL 24 3HG2 VAL 24 63.839 38.832 -3.728
177 HG21 VAL 24 1HG1 VAL 24 60.396 40.349 -3.249
178 HG22 VAL 24 2HG1 VAL 24 61.571 39.999 -1.973
179 HG23 VAL 24 3HG1 VAL 24 62.113 40.724 -3.508
180 H GLY 25 H GLY 25 62.738 37.430 -7.046
181 HA2 GLY 25 1HA GLY 25 61.422 34.729 -7.254
182 HA3 GLY 25 2HA GLY 25 62.784 35.280 -8.198
183 H SER 26 H SER 26 62.121 34.586 -4.793
184 HA SER 26 HA SER 26 64.829 33.402 -4.319
185 HB2 SER 26 2HB SER 26 62.341 33.530 -2.489
186 HB3 SER 26 1HB SER 26 63.932 32.969 -1.977
187 HG SER 26 HG SER 26 64.751 35.072 -2.629
188 H ASN 27 H ASN 27 65.378 31.295 -4.125
189 HA ASN 27 HA ASN 27 63.618 29.199 -5.286
190 HB2 ASN 27 2HB ASN 27 65.473 27.707 -5.192
191 HB3 ASN 27 1HB ASN 27 65.947 29.223 -5.897
192 HD21 ASN 27 2HD2 ASN 27 67.445 30.589 -4.614
193 HD22 ASN 27 1HD2 ASN 27 68.428 29.747 -3.302
194 H LYS 28 H LYS 28 61.908 29.390 -3.824
195 HA LYS 28 HA LYS 28 62.133 28.278 -1.044
196 HB2 LYS 28 2HB LYS 28 59.721 29.236 -2.700
197 HB3 LYS 28 1HB LYS 28 59.550 28.547 -1.099
198 HG2 LYS 28 2HG LYS 28 60.952 30.325 -0.071
199 HG3 LYS 28 1HG LYS 28 61.300 31.029 -1.650
200 HD2 LYS 28 1HD LYS 28 58.849 31.519 -2.000
201 HD3 LYS 28 2HD LYS 28 58.455 30.781 -0.447
202 HE2 LYS 28 1HE LYS 28 59.880 32.541 0.745
203 HE3 LYS 28 2HE LYS 28 60.293 33.265 -0.813
204 HZ1 LYS 28 2HZ LYS 28 57.867 33.694 -1.199
205 HZ2 LYS 28 3HZ LYS 28 58.328 34.414 0.205
206 HZ3 LYS 28 1HZ LYS 28 57.467 33.015 0.240
207 H GLY 29 H GLY 29 60.472 27.014 -3.988
208 HA2 GLY 29 1HA GLY 29 60.353 24.646 -4.628
209 HA3 GLY 29 2HA GLY 29 61.045 24.170 -3.096
210 H ALA 30 H ALA 30 59.621 24.201 -1.242
211 HA ALA 30 HA ALA 30 56.817 23.246 -1.895
212 HB1 ALA 30 1HB ALA 30 56.789 22.487 0.487
213 HB2 ALA 30 2HB ALA 30 58.370 23.246 0.777
214 HB3 ALA 30 3HB ALA 30 58.226 21.874 -0.357
215 H ILE 31 H ILE 31 55.067 24.428 -1.598
216 HA ILE 31 HA ILE 31 55.000 26.794 0.343
217 HB ILE 31 HB ILE 31 53.899 26.938 -2.516
218 HG12 ILE 31 1HG1 ILE 31 56.075 28.834 -1.417
219 HG13 ILE 31 2HG1 ILE 31 56.531 27.318 -2.140
220 HG21 ILE 31 2HG2 ILE 31 53.863 29.114 -0.300
221 HG22 ILE 31 3HG2 ILE 31 52.453 28.176 -0.839
222 HG23 ILE 31 1HG2 ILE 31 53.239 29.298 -1.956
223 HD11 ILE 31 1HD1 ILE 31 54.980 29.487 -3.663
224 HD12 ILE 31 2HD1 ILE 31 56.690 29.027 -3.852
225 HD13 ILE 31 3HD1 ILE 31 55.417 27.880 -4.305
226 H ILE 32 H ILE 32 53.810 25.703 1.816
227 HA ILE 32 HA ILE 32 51.005 24.874 1.109
228 HB ILE 32 HB ILE 32 51.030 22.785 2.451
229 HG12 ILE 32 2HG1 ILE 32 54.031 22.394 1.991
230 HG13 ILE 32 1HG1 ILE 32 53.507 23.232 3.427
231 HG21 ILE 32 3HG2 ILE 32 50.894 22.725 -0.029
232 HG22 ILE 32 1HG2 ILE 32 51.735 21.293 0.595
233 HG23 ILE 32 2HG2 ILE 32 52.661 22.616 -0.151
234 HD11 ILE 32 1HD1 ILE 32 52.628 20.358 2.719
235 HD12 ILE 32 2HD1 ILE 32 52.085 21.275 4.149
236 HD13 ILE 32 3HD1 ILE 32 53.797 20.850 3.964
237 H GLY 33 H GLY 33 49.682 25.761 2.527
238 HA2 GLY 33 1HA GLY 33 50.725 26.996 5.111
239 HA3 GLY 33 2HA GLY 33 49.140 27.243 4.423
240 H LEU 34 H LEU 34 51.118 24.815 6.027
241 HA LEU 34 HA LEU 34 48.629 23.753 7.503
242 HB2 LEU 34 1HB LEU 34 49.543 22.198 5.664
243 HB3 LEU 34 2HB LEU 34 51.044 22.112 6.556
244 HG LEU 34 HG LEU 34 49.629 21.168 8.568
245 HD11 LEU 34 1HD2 LEU 34 47.480 20.035 7.957
246 HD12 LEU 34 2HD2 LEU 34 47.314 21.779 7.697
247 HD13 LEU 34 3HD2 LEU 34 47.553 20.693 6.309
248 HD21 LEU 34 2HD1 LEU 34 49.702 18.855 7.613
249 HD22 LEU 34 3HD1 LEU 34 51.155 19.764 7.162
250 HD23 LEU 34 1HD1 LEU 34 49.861 19.510 5.966
251 H MET 35 H MET 35 48.816 24.498 9.509
252 HA MET 35 HA MET 35 51.503 24.354 11.000
253 HB2 MET 35 1HB MET 35 50.852 26.721 10.237
254 HB3 MET 35 2HB MET 35 49.438 26.626 11.274
255 HG2 MET 35 2HG MET 35 50.986 26.336 13.296
256 HG3 MET 35 1HG MET 35 52.393 26.457 12.227
257 HE1 MET 35 2HE MET 35 52.592 30.193 11.289
258 HE2 MET 35 1HE MET 35 53.528 28.727 11.697
259 HE3 MET 35 3HE MET 35 52.390 28.710 10.313
260 H VAL 36 H VAL 36 51.236 22.785 12.469
261 HA VAL 36 HA VAL 36 48.484 22.143 13.586
262 HB VAL 36 HB VAL 36 49.742 20.342 12.539
263 HG11 VAL 36 1HG2 VAL 36 51.681 20.306 14.941
264 HG12 VAL 36 2HG2 VAL 36 51.602 19.138 13.605
265 HG13 VAL 36 3HG2 VAL 36 52.121 20.805 13.294
266 HG21 VAL 36 1HG1 VAL 36 47.945 19.860 14.215
267 HG22 VAL 36 2HG1 VAL 36 49.163 19.792 15.514
268 HG23 VAL 36 3HG1 VAL 36 49.192 18.602 14.191
269 H GLY 37 H GLY 37 48.130 23.787 14.949
270 HA2 GLY 37 1HA GLY 37 48.059 24.548 17.357
271 HA3 GLY 37 2HA GLY 37 49.633 23.847 17.629
272 H GLY 38 H GLY 38 47.942 26.558 16.206
273 HA2 GLY 38 1HA GLY 38 50.507 28.149 15.710
274 HA3 GLY 38 2HA GLY 38 48.900 28.656 15.258
275 H VAL 39 H VAL 39 47.528 29.531 16.901
276 HA VAL 39 HA VAL 39 48.968 30.640 19.393
277 HB VAL 39 HB VAL 39 46.599 31.888 17.897
278 HG11 VAL 39 1HG2 VAL 39 46.479 32.330 20.390
279 HG12 VAL 39 2HG2 VAL 39 46.801 33.808 19.474
280 HG13 VAL 39 3HG2 VAL 39 48.123 33.005 20.356
281 HG21 VAL 39 1HG1 VAL 39 48.798 32.291 16.684
282 HG22 VAL 39 2HG1 VAL 39 48.125 33.788 17.344
283 HG23 VAL 39 3HG1 VAL 39 49.490 32.985 18.163
284 H VAL 40 H VAL 40 48.522 29.085 20.868
285 HA VAL 40 HA VAL 40 45.664 28.447 21.582
286 HB VAL 40 HB VAL 40 47.757 26.229 21.131
287 HG11 VAL 40 1HG1 VAL 40 46.006 24.589 21.833
288 HG12 VAL 40 2HG1 VAL 40 44.846 25.909 22.144
289 HG13 VAL 40 3HG1 VAL 40 46.310 25.748 23.137
290 HG21 VAL 40 1HG2 VAL 40 46.198 25.239 19.429
291 HG22 VAL 40 2HG2 VAL 40 46.666 26.876 18.941
292 HG23 VAL 40 3HG2 VAL 40 45.060 26.597 19.645
293 HCG9 23Y 101 HCG9 EVG 1 47.482 46.626 1.186
294 HCG3 23Y 101 HCG3 EVG 1 46.047 44.304 4.737
295 HCG7 23Y 101 HCG7 EVG 1 43.555 46.450 -0.463
296 HCG4 23Y 101 HCG4 EVG 1 44.990 42.488 2.507
297 HCB1 23Y 101 HCB1 EVG 1 46.081 42.334 6.192
298 HCB2 23Y 101 HCB2 EVG 1 47.292 40.308 6.891
299 HOB3 23Y 101 HOB3 EVG 1 48.808 38.780 6.338
300 HCB4 23Y 101 HCB4 EVG 1 49.331 40.204 3.130
301 HCB5 23Y 101 HCB5 EVG 1 48.126 42.233 2.411
302 HCC1 23Y 101 HCC1 EVG 1 43.571 41.165 3.856
303 HOC2 23Y 101 HOC2 EVG 1 42.010 40.017 4.893
304 HCC3 23Y 101 HCC3 EVG 1 40.609 42.909 6.393
305 HOC4 23Y 101 HOC4 EVG 1 41.899 46.167 5.829
306 HCC5 23Y 101 HCC5 EVG 1 43.502 45.417 4.486
307 HCD1 23Y 101 HCD1 EVG 1 42.383 43.474 1.705
308 HCD2 23Y 101 HCD2 EVG 1 41.603 45.455 -0.444
309 HCE1 23Y 101 HCE1 EVG 1 38.179 41.489 1.572
310 HOE2 23Y 101 HOE2 EVG 1 35.800 42.685 -0.770
311 HCE3 23Y 101 HCE3 EVG 1 37.184 44.241 -1.552
312 HCE4 23Y 101 HCE4 EVG 1 39.405 45.252 -1.395
313 HCE6 23Y 101 HCE6 EVG 1 40.410 42.481 1.761
314 HCF5 23Y 101 HCF5 EVG 1 47.765 46.003 -3.701
315 HCF1 23Y 101 HCF1 EVG 1 45.683 46.888 -2.455
316 HCF2 23Y 101 HCF2 EVG 1 47.118 49.550 -1.858
317 HOF2 23Y 101 HOF2 EVG 1 45.459 50.281 -3.291
318 HCF3 23Y 101 HCF3 EVG 1 46.652 48.243 -4.611
319 HOF3 23Y 101 HOF3 EVG 1 48.136 49.932 -5.152
320 HCF4 23Y 101 HCF4 EVG 1 49.334 48.606 -3.137
321 HOF4 23Y 101 HOF4 EVG 1 50.000 47.331 -4.933
322 HF61 23Y 101 HF61 EVG 1 50.267 45.681 -3.652
323 HF62 23Y 101 HF62 EVG 1 49.425 44.854 -2.344
324 HCF6 23Y 101 HCF6 EVG 1 49.882 46.724 -1.031
325 HCG9 23Y 102 HCG9 EVG 2 49.270 31.469 -10.409
326 HCG3 23Y 102 HCG3 EVG 2 49.768 35.826 -9.533
327 HCG7 23Y 102 HCG7 EVG 2 52.532 30.621 -7.780
328 HCG4 23Y 102 HCG4 EVG 2 52.654 35.108 -10.270
329 HCB1 23Y 102 HCB1 EVG 2 51.046 34.856 -12.928
330 HCB2 23Y 102 HCB2 EVG 2 51.222 36.457 -14.798
331 HOB3 23Y 102 HOB3 EVG 2 50.756 39.938 -14.298
332 HCB4 23Y 102 HCB4 EVG 2 50.361 39.691 -12.123
333 HCB5 23Y 102 HCB5 EVG 2 50.184 38.114 -10.252
334 HCC1 23Y 102 HCC1 EVG 2 50.727 35.289 -6.954
335 HOC2 23Y 102 HOC2 EVG 2 51.471 37.583 -4.370
336 HCC3 23Y 102 HCC3 EVG 2 52.986 38.664 -5.611
337 HOC4 23Y 102 HOC4 EVG 2 55.071 38.632 -8.427
338 HCC5 23Y 102 HCC5 EVG 2 53.627 37.143 -9.543
339 HCD1 23Y 102 HCD1 EVG 2 53.970 34.197 -7.841
340 HCD2 23Y 102 HCD2 EVG 2 54.309 31.400 -6.750
341 HCE1 23Y 102 HCE1 EVG 2 57.760 35.677 -5.590
342 HOE2 23Y 102 HOE2 EVG 2 59.586 34.930 -4.451
343 HCE3 23Y 102 HCE3 EVG 2 58.260 31.662 -4.184
344 HCE4 23Y 102 HCE4 EVG 2 56.236 30.975 -5.382
345 HCE6 23Y 102 HCE6 EVG 2 55.744 35.021 -6.801
346 HCF5 23Y 102 HCF5 EVG 2 53.663 27.128 -9.845
347 HCF1 23Y 102 HCF1 EVG 2 50.836 28.695 -7.318
348 HCF2 23Y 102 HCF2 EVG 2 48.934 27.530 -8.598
349 HOF2 23Y 102 HOF2 EVG 2 49.938 26.502 -6.894
350 HCF3 23Y 102 HCF3 EVG 2 49.654 25.754 -10.261
351 HOF3 23Y 102 HOF3 EVG 2 49.995 28.503 -10.662
352 HCF4 23Y 102 HCF4 EVG 2 51.856 26.163 -11.485
353 HOF4 23Y 102 HOF4 EVG 2 51.802 25.474 -8.755
354 HF61 23Y 102 HF61 EVG 2 53.630 29.408 -10.726
355 HF62 23Y 102 HF62 EVG 2 53.456 28.168 -11.968
356 HCF6 23Y 102 HOF6 EVG 2 51.234 28.591 -12.038
Start of MODEL 5
1 H1 ASP 1 1H ASP 1 26.230 21.067 8.464
2 H2 ASP 1 2H ASP 1 24.894 21.940 8.864
3 H3 ASP 1 3H ASP 1 24.786 20.712 7.730
4 HA ASP 1 HA ASP 1 24.767 22.906 6.643
5 HB2 ASP 1 2HB ASP 1 27.417 23.244 8.212
6 HB3 ASP 1 1HB ASP 1 26.932 24.289 6.888
7 H ALA 2 H ALA 2 25.136 22.502 4.538
8 HA ALA 2 HA ALA 2 26.992 20.326 3.683
9 HB1 ALA 2 1HB ALA 2 24.709 20.544 2.727
10 HB2 ALA 2 2HB ALA 2 25.111 22.143 2.039
11 HB3 ALA 2 3HB ALA 2 25.934 20.681 1.453
12 H GLU 3 H GLU 3 27.016 23.884 3.046
13 HA GLU 3 HA GLU 3 29.619 23.625 1.529
14 HB2 GLU 3 2HB GLU 3 27.761 26.004 2.104
15 HB3 GLU 3 1HB GLU 3 29.394 26.265 1.532
16 HG2 GLU 3 2HG GLU 3 28.998 24.928 -0.541
17 HG3 GLU 3 1HG GLU 3 27.353 24.555 -0.023
18 H PHE 4 H PHE 4 31.530 24.334 2.165
19 HA PHE 4 HA PHE 4 32.106 24.459 5.110
20 HB2 PHE 4 1HB PHE 4 34.033 24.523 2.701
21 HB3 PHE 4 2HB PHE 4 34.534 24.468 4.364
22 HD1 PHE 4 HD2 PHE 4 34.263 22.377 5.741
23 HD2 PHE 4 HD1 PHE 4 33.041 22.480 1.617
24 HE1 PHE 4 HE2 PHE 4 34.164 19.915 5.696
25 HE2 PHE 4 HE1 PHE 4 32.932 20.025 1.594
26 HZ PHE 4 HZ PHE 4 33.499 18.736 3.626
27 H ARG 5 H ARG 5 32.409 26.263 6.233
28 HA ARG 5 HA ARG 5 33.220 28.886 4.859
29 HB2 ARG 5 1HB ARG 5 30.693 28.721 5.412
30 HB3 ARG 5 2HB ARG 5 31.135 28.627 7.098
31 HG2 ARG 5 2HG ARG 5 30.590 30.870 6.864
32 HG3 ARG 5 1HG ARG 5 32.342 30.945 6.789
33 HD2 ARG 5 2HD ARG 5 32.179 31.104 4.217
34 HD3 ARG 5 1HD ARG 5 30.411 30.981 4.353
35 HE ARG 5 HE ARG 5 31.597 33.170 6.048
36 HH11 ARG 5 1HH1 ARG 5 30.336 32.515 2.855
37 HH12 ARG 5 2HH1 ARG 5 29.995 34.288 2.570
38 HH21 ARG 5 2HH2 ARG 5 31.195 35.162 5.663
39 HH22 ARG 5 1HH2 ARG 5 30.467 35.691 4.083
40 H HIS 6 H HIS 6 35.179 29.328 5.605
41 HA HIS 6 HA HIS 6 36.151 28.384 8.320
42 HB2 HIS 6 2HB HIS 6 37.575 29.721 5.929
43 HB3 HIS 6 1HB HIS 6 38.366 29.446 7.457
44 HD2 HIS 6 HD2 HIS 6 38.949 26.892 8.208
45 HE1 HIS 6 HE1 HIS 6 38.181 25.138 4.501
46 HE2 HIS 6 HE2 HIS 6 39.275 24.656 6.787
47 H ASP 7 H ASP 7 35.951 29.655 10.072
48 HA ASP 7 HA ASP 7 35.200 32.515 9.843
49 HB2 ASP 7 2HB ASP 7 34.795 32.474 12.207
50 HB3 ASP 7 1HB ASP 7 34.065 31.082 11.441
51 H SER 8 H SER 8 38.024 31.027 11.482
52 HA SER 8 HA SER 8 39.405 33.672 11.650
53 HB2 SER 8 2HB SER 8 39.597 31.951 13.444
54 HB3 SER 8 1HB SER 8 40.449 30.857 12.348
55 HG SER 8 HG SER 8 42.058 32.533 12.109
56 H GLY 9 H GLY 9 40.816 34.510 10.283
57 HA2 GLY 9 1HA GLY 9 42.746 32.989 8.604
58 HA3 GLY 9 2HA GLY 9 41.404 33.542 7.608
59 H TYR 10 H TYR 10 41.098 35.815 7.387
60 HA TYR 10 HA TYR 10 43.623 37.480 7.777
61 HB2 TYR 10 1HB TYR 10 42.904 38.962 6.091
62 HB3 TYR 10 2HB TYR 10 42.902 37.338 5.491
63 HD1 TYR 10 HD2 TYR 10 40.670 36.153 5.010
64 HD2 TYR 10 HD1 TYR 10 40.826 40.303 6.135
65 HE1 TYR 10 HE2 TYR 10 38.375 36.470 4.191
66 HE2 TYR 10 HE1 TYR 10 38.520 40.590 5.341
67 HH TYR 10 HH TYR 10 36.708 37.915 3.885
68 H GLU 11 H GLU 11 43.494 37.903 9.914
69 HA GLU 11 HA GLU 11 41.329 39.901 10.831
70 HB2 GLU 11 2HB GLU 11 41.102 37.540 11.803
71 HB3 GLU 11 1HB GLU 11 42.675 37.740 12.551
72 HG2 GLU 11 2HG GLU 11 41.094 38.235 14.276
73 HG3 GLU 11 1HG GLU 11 41.677 39.826 13.811
74 H VAL 12 H VAL 12 42.544 41.656 10.326
75 HA VAL 12 HA VAL 12 44.893 42.283 12.102
76 HB VAL 12 HB VAL 12 46.264 43.372 10.347
77 HG11 VAL 12 1HG2 VAL 12 46.119 40.319 9.987
78 HG12 VAL 12 2HG2 VAL 12 47.519 41.368 9.662
79 HG13 VAL 12 3HG2 VAL 12 46.936 41.158 11.321
80 HG21 VAL 12 1HG1 VAL 12 44.640 43.474 8.403
81 HG22 VAL 12 2HG1 VAL 12 44.787 41.710 8.213
82 HG23 VAL 12 3HG1 VAL 12 46.197 42.774 7.988
83 H HIS 13 H HIS 13 44.167 43.977 13.139
84 HA HIS 13 HA HIS 13 42.137 45.848 11.973
85 HB2 HIS 13 2HB HIS 13 43.495 45.814 14.738
86 HB3 HIS 13 1HB HIS 13 42.338 47.024 14.247
87 HD2 HIS 13 HD2 HIS 13 42.480 43.311 15.316
88 HE1 HIS 13 HE1 HIS 13 38.448 44.267 14.879
89 HE2 HIS 13 HE2 HIS 13 40.003 42.386 15.664
90 H HIS 14 H HIS 14 45.532 46.388 13.042
91 HA HIS 14 HA HIS 14 45.666 48.761 11.116
92 HB2 HIS 14 2HB HIS 14 46.573 48.845 14.071
93 HB3 HIS 14 1HB HIS 14 47.106 49.999 12.873
94 HD2 HIS 14 HD2 HIS 14 45.296 51.804 11.882
95 HE1 HIS 14 HE1 HIS 14 42.331 51.077 14.725
96 HE2 HIS 14 HE2 HIS 14 43.004 52.745 12.877
97 H GLN 15 H GLN 15 47.380 48.589 9.827
98 HA GLN 15 HA GLN 15 49.510 46.491 10.274
99 HB2 GLN 15 2HB GLN 15 49.062 48.503 7.978
100 HB3 GLN 15 1HB GLN 15 50.427 47.414 8.046
101 HG2 GLN 15 2HG GLN 15 48.884 45.394 8.001
102 HG3 GLN 15 1HG GLN 15 47.494 46.468 7.923
103 HE21 GLN 15 2HE2 GLN 15 50.093 45.113 6.065
104 HE22 GLN 15 1HE2 GLN 15 49.587 45.928 4.498
105 H LYS 16 H LYS 16 51.483 46.900 11.113
106 HA LYS 16 HA LYS 16 52.447 49.777 11.511
107 HB2 LYS 16 2HB LYS 16 54.010 49.076 13.079
108 HB3 LYS 16 1HB LYS 16 52.450 48.409 13.490
109 HG2 LYS 16 1HG LYS 16 53.210 46.126 12.620
110 HG3 LYS 16 2HG LYS 16 54.787 46.816 12.238
111 HD2 LYS 16 1HD LYS 16 55.056 47.468 14.732
112 HD3 LYS 16 2HD LYS 16 53.498 46.743 15.047
113 HE2 LYS 16 1HE LYS 16 54.982 45.050 15.736
114 HE3 LYS 16 2HE LYS 16 54.420 44.470 14.176
115 HZ1 LYS 16 2HZ LYS 16 57.035 45.935 14.635
116 HZ2 LYS 16 3HZ LYS 16 56.534 45.404 13.170
117 HZ3 LYS 16 1HZ LYS 16 56.906 44.322 14.353
118 H LEU 17 H LEU 17 52.283 49.589 9.117
119 HA LEU 17 HA LEU 17 54.789 50.166 7.882
120 HB2 LEU 17 2HB LEU 17 55.146 48.413 6.183
121 HB3 LEU 17 1HB LEU 17 55.467 47.902 7.809
122 HG LEU 17 HG LEU 17 53.165 46.675 7.781
123 HD11 LEU 17 1HD2 LEU 17 53.484 47.076 4.713
124 HD12 LEU 17 2HD2 LEU 17 52.136 47.682 5.697
125 HD13 LEU 17 3HD2 LEU 17 52.361 45.945 5.498
126 HD21 LEU 17 2HD1 LEU 17 55.402 45.727 5.855
127 HD22 LEU 17 3HD1 LEU 17 54.182 44.690 6.627
128 HD23 LEU 17 1HD1 LEU 17 55.400 45.508 7.620
129 H VAL 18 H VAL 18 54.432 51.104 5.783
130 HA VAL 18 HA VAL 18 51.608 51.926 5.283
131 HB VAL 18 HB VAL 18 52.395 53.132 3.264
132 HG11 VAL 18 1HG2 VAL 18 52.163 54.295 5.465
133 HG12 VAL 18 2HG2 VAL 18 53.429 55.013 4.456
134 HG13 VAL 18 3HG2 VAL 18 53.874 53.971 5.828
135 HG21 VAL 18 1HG1 VAL 18 54.497 51.863 2.671
136 HG22 VAL 18 2HG1 VAL 18 54.762 53.610 2.814
137 HG23 VAL 18 3HG1 VAL 18 55.298 52.524 4.117
138 H PHE 19 H PHE 19 50.138 50.975 4.044
139 HA PHE 19 HA PHE 19 50.595 48.376 2.775
140 HB2 PHE 19 1HB PHE 19 48.421 49.098 3.789
141 HB3 PHE 19 2HB PHE 19 48.195 50.287 2.539
142 HD1 PHE 19 HD1 PHE 19 48.296 46.582 3.195
143 HD2 PHE 19 HD2 PHE 19 47.314 49.627 0.332
144 HE1 PHE 19 HE1 PHE 19 47.061 44.931 1.867
145 HE2 PHE 19 HE2 PHE 19 46.084 47.956 -0.999
146 HZ PHE 19 HZ PHE 19 45.948 45.607 -0.226
147 H PHE 20 H PHE 20 51.529 47.988 0.887
148 HA PHE 20 HA PHE 20 51.700 50.124 -1.282
149 HB2 PHE 20 2HB PHE 20 53.792 48.887 -0.412
150 HB3 PHE 20 1HB PHE 20 53.191 47.436 -1.172
151 HD1 PHE 20 HD2 PHE 20 54.602 50.824 -1.748
152 HD2 PHE 20 HD1 PHE 20 53.144 47.279 -3.710
153 HE1 PHE 20 HE2 PHE 20 55.643 51.550 -3.859
154 HE2 PHE 20 HE1 PHE 20 54.185 48.015 -5.802
155 HZ PHE 20 HZ PHE 20 55.436 50.153 -5.890
156 H ALA 21 H ALA 21 50.048 50.082 -2.639
157 HA ALA 21 HA ALA 21 48.475 47.610 -3.360
158 HB1 ALA 21 1HB ALA 21 47.165 49.203 -4.768
159 HB2 ALA 21 2HB ALA 21 48.321 50.507 -4.432
160 HB3 ALA 21 3HB ALA 21 47.332 49.825 -3.112
161 H GLU 22 H GLU 22 49.354 46.199 -4.767
162 HA GLU 22 HA GLU 22 51.700 46.771 -6.427
163 HB2 GLU 22 1HB GLU 22 49.881 44.325 -6.193
164 HB3 GLU 22 2HB GLU 22 51.134 44.385 -7.400
165 HG2 GLU 22 2HG GLU 22 51.824 44.832 -4.428
166 HG3 GLU 22 1HG GLU 22 51.774 43.240 -5.179
167 H ASP 23 H ASP 23 51.141 48.442 -7.661
168 HA ASP 23 HA ASP 23 50.127 47.797 -10.441
169 HB2 ASP 23 1HB ASP 23 48.856 50.072 -8.765
170 HB3 ASP 23 2HB ASP 23 48.767 49.976 -10.516
171 H VAL 24 H VAL 24 52.220 48.028 -11.050
172 HA VAL 24 HA VAL 24 53.337 50.817 -11.229
173 HB VAL 24 HB VAL 24 54.211 50.105 -9.075
174 HG11 VAL 24 1HG1 VAL 24 55.941 47.950 -10.447
175 HG12 VAL 24 2HG1 VAL 24 54.550 47.624 -9.387
176 HG13 VAL 24 3HG1 VAL 24 55.983 48.437 -8.736
177 HG21 VAL 24 1HG2 VAL 24 55.481 51.760 -10.469
178 HG22 VAL 24 2HG2 VAL 24 56.477 50.442 -11.138
179 HG23 VAL 24 3HG2 VAL 24 56.545 50.828 -9.402
180 H GLY 25 H GLY 25 53.062 50.791 -13.346
181 HA2 GLY 25 1HA GLY 25 53.963 50.460 -15.636
182 HA3 GLY 25 2HA GLY 25 54.835 49.037 -15.119
183 H SER 26 H SER 26 53.602 47.076 -14.824
184 HA SER 26 HA SER 26 51.281 46.829 -16.770
185 HB2 SER 26 2HB SER 26 51.704 44.415 -16.730
186 HB3 SER 26 1HB SER 26 53.171 45.306 -17.128
187 HG SER 26 HG SER 26 53.597 43.689 -15.595
188 H ASN 27 H ASN 27 49.252 46.428 -16.146
189 HA ASN 27 HA ASN 27 48.525 46.213 -13.201
190 HB2 ASN 27 1HB ASN 27 47.405 47.837 -14.761
191 HB3 ASN 27 2HB ASN 27 46.743 46.515 -15.706
192 HD21 ASN 27 1HD2 ASN 27 45.015 45.251 -14.664
193 HD22 ASN 27 2HD2 ASN 27 44.165 46.008 -13.205
194 H LYS 28 H LYS 28 49.208 44.176 -12.674
195 HA LYS 28 HA LYS 28 48.295 41.720 -14.216
196 HB2 LYS 28 2HB LYS 28 50.111 41.995 -11.752
197 HB3 LYS 28 1HB LYS 28 49.603 40.448 -12.400
198 HG2 LYS 28 2HG LYS 28 50.714 40.934 -14.612
199 HG3 LYS 28 1HG LYS 28 51.108 42.550 -14.072
200 HD2 LYS 28 2HD LYS 28 53.140 41.481 -13.790
201 HD3 LYS 28 1HD LYS 28 52.520 41.507 -12.149
202 HE2 LYS 28 1HE LYS 28 51.765 39.057 -12.442
203 HE3 LYS 28 2HE LYS 28 52.389 39.086 -14.092
204 HZ1 LYS 28 2HZ LYS 28 54.103 38.171 -12.566
205 HZ2 LYS 28 3HZ LYS 28 54.660 39.588 -13.167
206 HZ3 LYS 28 1HZ LYS 28 54.093 39.525 -11.630
207 H GLY 29 H GLY 29 47.895 42.678 -10.740
208 HA2 GLY 29 1HA GLY 29 45.905 42.478 -9.378
209 HA3 GLY 29 2HA GLY 29 44.993 41.980 -10.782
210 H ALA 30 H ALA 30 45.093 39.736 -11.364
211 HA ALA 30 HA ALA 30 45.295 37.851 -8.978
212 HB1 ALA 30 1HB ALA 30 43.992 36.284 -10.441
213 HB2 ALA 30 2HB ALA 30 44.071 37.438 -11.791
214 HB3 ALA 30 3HB ALA 30 43.175 37.854 -10.306
215 H ILE 31 H ILE 31 46.838 36.316 -8.821
216 HA ILE 31 HA ILE 31 48.987 36.104 -10.942
217 HB ILE 31 HB ILE 31 49.652 36.510 -8.651
218 HG12 ILE 31 2HG1 ILE 31 50.853 33.814 -9.473
219 HG13 ILE 31 1HG1 ILE 31 51.042 35.212 -10.496
220 HG21 ILE 31 2HG2 ILE 31 48.044 35.086 -7.325
221 HG22 ILE 31 3HG2 ILE 31 48.860 33.618 -7.904
222 HG23 ILE 31 1HG2 ILE 31 49.729 34.777 -6.879
223 HD11 ILE 31 1HD1 ILE 31 52.160 36.513 -8.634
224 HD12 ILE 31 2HD1 ILE 31 53.023 35.016 -9.046
225 HD13 ILE 31 3HD1 ILE 31 52.027 35.084 -7.576
226 H ILE 32 H ILE 32 47.804 35.164 -12.581
227 HA ILE 32 HA ILE 32 46.708 32.371 -12.226
228 HB ILE 32 HB ILE 32 46.106 32.374 -14.609
229 HG12 ILE 32 2HG1 ILE 32 46.492 35.400 -14.840
230 HG13 ILE 32 1HG1 ILE 32 47.826 34.347 -15.244
231 HG21 ILE 32 3HG2 ILE 32 44.102 33.816 -14.370
232 HG22 ILE 32 1HG2 ILE 32 44.444 32.956 -12.860
233 HG23 ILE 32 2HG2 ILE 32 44.851 34.681 -13.006
234 HD11 ILE 32 1HD1 ILE 32 46.438 33.132 -16.970
235 HD12 ILE 32 2HD1 ILE 32 46.576 34.870 -17.297
236 HD13 ILE 32 3HD1 ILE 32 45.066 34.215 -16.625
237 H GLY 33 H GLY 33 47.734 30.555 -12.668
238 HA2 GLY 33 1HA GLY 33 50.621 30.568 -13.629
239 HA3 GLY 33 2HA GLY 33 49.755 29.190 -12.993
240 H LEU 34 H LEU 34 49.973 31.278 -15.818
241 HA LEU 34 HA LEU 34 48.722 29.199 -17.637
242 HB2 LEU 34 1HB LEU 34 48.238 31.719 -17.781
243 HB3 LEU 34 2HB LEU 34 49.888 31.953 -18.310
244 HG LEU 34 HG LEU 34 49.320 30.337 -20.313
245 HD11 LEU 34 2HD1 LEU 34 47.137 29.390 -19.404
246 HD12 LEU 34 3HD1 LEU 34 46.413 31.015 -19.458
247 HD13 LEU 34 1HD1 LEU 34 46.905 30.204 -20.960
248 HD21 LEU 34 1HD2 LEU 34 48.306 32.215 -21.619
249 HD22 LEU 34 2HD2 LEU 34 47.887 33.073 -20.116
250 HD23 LEU 34 3HD2 LEU 34 49.592 32.816 -20.558
251 H MET 35 H MET 35 49.957 27.608 -18.390
252 HA MET 35 HA MET 35 52.830 28.118 -19.326
253 HB2 MET 35 1HB MET 35 51.921 25.764 -17.553
254 HB3 MET 35 2HB MET 35 53.387 25.722 -18.508
255 HG2 MET 35 2HG MET 35 52.856 27.783 -16.281
256 HG3 MET 35 1HG MET 35 53.845 26.331 -16.118
257 HE1 MET 35 2HE MET 35 55.899 25.903 -18.219
258 HE2 MET 35 1HE MET 35 56.372 26.299 -16.537
259 HE3 MET 35 3HE MET 35 57.147 27.143 -17.907
260 H VAL 36 H VAL 36 52.942 27.606 -21.408
261 HA VAL 36 HA VAL 36 50.824 25.849 -22.685
262 HB VAL 36 HB VAL 36 51.204 28.072 -23.601
263 HG11 VAL 36 1HG1 VAL 36 53.730 28.302 -23.467
264 HG12 VAL 36 2HG1 VAL 36 53.893 27.116 -24.779
265 HG13 VAL 36 3HG1 VAL 36 53.079 28.667 -25.075
266 HG21 VAL 36 1HG2 VAL 36 51.038 27.439 -25.971
267 HG22 VAL 36 2HG2 VAL 36 51.759 25.843 -25.652
268 HG23 VAL 36 3HG2 VAL 36 50.164 26.261 -24.980
269 H GLY 37 H GLY 37 51.368 23.874 -21.969
270 HA2 GLY 37 1HA GLY 37 53.437 22.279 -23.448
271 HA3 GLY 37 2HA GLY 37 53.950 22.635 -21.805
272 H GLY 38 H GLY 38 51.473 21.090 -23.715
273 HA2 GLY 38 1HA GLY 38 51.153 18.717 -21.982
274 HA3 GLY 38 2HA GLY 38 49.905 19.884 -21.556
275 H VAL 39 H VAL 39 51.150 17.873 -24.140
276 HA VAL 39 HA VAL 39 48.704 18.405 -25.875
277 HB VAL 39 HB VAL 39 50.914 18.575 -26.908
278 HG11 VAL 39 1HG2 VAL 39 51.200 15.504 -26.764
279 HG12 VAL 39 2HG2 VAL 39 52.178 16.653 -25.827
280 HG13 VAL 39 3HG2 VAL 39 52.275 16.646 -27.599
281 HG21 VAL 39 1HG1 VAL 39 50.332 17.453 -29.019
282 HG22 VAL 39 2HG1 VAL 39 49.171 16.386 -28.191
283 HG23 VAL 39 3HG1 VAL 39 48.873 18.138 -28.285
284 H VAL 40 H VAL 40 47.081 17.482 -24.734
285 HA VAL 40 HA VAL 40 46.877 14.469 -24.744
286 HB VAL 40 HB VAL 40 46.256 16.139 -22.227
287 HG11 VAL 40 1HG1 VAL 40 45.899 13.085 -22.620
288 HG12 VAL 40 2HG1 VAL 40 45.584 14.000 -21.120
289 HG13 VAL 40 3HG1 VAL 40 44.585 14.281 -22.556
290 HG21 VAL 40 1HG2 VAL 40 48.730 15.617 -22.344
291 HG22 VAL 40 2HG2 VAL 40 47.959 14.757 -21.004
292 HG23 VAL 40 3HG2 VAL 40 48.371 13.887 -22.507
293 HCG9 23Y 101 HCG9 EVG 1 46.735 42.106 -0.912
294 HCG3 23Y 101 HCG3 EVG 1 46.492 43.283 3.400
295 HCG7 23Y 101 HCG7 EVG 1 42.493 42.536 -1.195
296 HCG4 23Y 101 HCG4 EVG 1 44.400 41.049 3.336
297 HCB1 23Y 101 HCB1 EVG 1 47.111 39.600 2.936
298 HCB2 23Y 101 HCB2 EVG 1 48.225 38.215 4.638
299 HOB3 23Y 101 HOB3 EVG 1 49.008 38.126 6.729
300 HCB4 23Y 101 HCB4 EVG 1 48.069 41.469 7.412
301 HCB5 23Y 101 HCB5 EVG 1 46.937 42.868 5.726
302 HCC1 23Y 101 HCC1 EVG 1 44.240 44.870 2.979
303 HOC2 23Y 101 HOC2 EVG 1 42.550 46.986 5.254
304 HCC3 23Y 101 HCC3 EVG 1 42.104 45.313 6.659
305 HOC4 23Y 101 HOC4 EVG 1 42.419 41.865 7.388
306 HCC5 23Y 101 HCC5 EVG 1 43.502 41.453 5.490
307 HCD1 23Y 101 HCD1 EVG 1 41.859 42.322 2.601
308 HCD2 23Y 101 HCD2 EVG 1 40.593 42.672 -0.121
309 HCE1 23Y 101 HCE1 EVG 1 37.711 42.662 4.698
310 HOE2 23Y 101 HOE2 EVG 1 34.807 42.945 2.695
311 HCE3 23Y 101 HCE3 EVG 1 35.978 42.953 0.800
312 HCE4 23Y 101 HCE4 EVG 1 38.198 42.827 -0.220
313 HCE6 23Y 101 HCE6 EVG 1 39.952 42.508 3.713
314 HCF5 23Y 101 HCF5 EVG 1 41.388 41.925 -4.772
315 HCF1 23Y 101 HCF1 EVG 1 43.285 43.407 -3.451
316 HCF2 23Y 101 HCF2 EVG 1 45.694 42.606 -4.805
317 HOF2 23Y 101 HOF2 EVG 1 43.294 43.726 -5.800
318 HCF3 23Y 101 HCF3 EVG 1 44.781 41.453 -6.887
319 HOF3 23Y 101 HOF3 EVG 1 44.694 40.112 -4.402
320 HCF4 23Y 101 HCF4 EVG 1 42.881 39.767 -6.239
321 HOF4 23Y 101 HOF4 EVG 1 42.227 42.449 -6.860
322 HF61 23Y 101 HF61 EVG 1 41.860 38.958 -4.093
323 HF62 23Y 101 HF62 EVG 1 40.718 40.026 -3.282
324 HCF6 23Y 101 HCF6 EVG 1 39.662 40.304 -5.339
325 HCG9 23Y 102 HCG9 EVG 2 61.281 31.142 -10.223
326 HCG3 23Y 102 HCG3 EVG 2 59.614 34.226 -7.413
327 HCG7 23Y 102 HCG7 EVG 2 58.552 32.490 -13.217
328 HCG4 23Y 102 HCG4 EVG 2 57.004 32.922 -8.339
329 HCB1 23Y 102 HCB1 EVG 2 58.489 34.878 -5.342
330 HCB2 23Y 102 HCB2 EVG 2 57.724 34.202 -3.110
331 HOB3 23Y 102 HOB3 EVG 2 57.137 32.505 -1.791
332 HCB4 23Y 102 HCB4 EVG 2 57.662 30.102 -4.347
333 HCB5 23Y 102 HCB5 EVG 2 58.433 30.761 -6.596
334 HCC1 23Y 102 HCC1 EVG 2 55.555 34.568 -7.438
335 HOC2 23Y 102 HOC2 EVG 2 54.112 36.143 -6.836
336 HCC3 23Y 102 HCC3 EVG 2 56.018 38.716 -8.354
337 HOC4 23Y 102 HOC4 EVG 2 59.139 38.123 -9.933
338 HCC5 23Y 102 HCC5 EVG 2 59.037 35.933 -9.556
339 HCD1 23Y 102 HCD1 EVG 2 56.160 34.254 -10.770
340 HCD2 23Y 102 HCD2 EVG 2 56.723 33.569 -13.663
341 HCE1 23Y 102 HCE1 EVG 2 52.250 36.469 -11.931
342 HOE2 23Y 102 HOE2 EVG 2 50.835 36.847 -13.665
343 HCE3 23Y 102 HCE3 EVG 2 53.063 35.421 -15.999
344 HCE4 23Y 102 HCE4 EVG 2 55.119 34.273 -15.308
345 HCE6 23Y 102 HCE6 EVG 2 54.299 35.351 -11.209
346 HCF5 23Y 102 HCF5 EVG 2 64.297 29.767 -11.678
347 HCF1 23Y 102 HCF1 EVG 2 61.754 29.570 -12.191
348 HCF2 23Y 102 HCF2 EVG 2 62.165 30.817 -14.980
349 HOF2 23Y 102 HOF2 EVG 2 61.358 28.198 -14.213
350 HCF3 23Y 102 HCF3 EVG 2 63.601 28.327 -13.886
351 HOF3 23Y 102 HOF3 EVG 2 64.703 28.550 -15.820
352 HCF4 23Y 102 HCF4 EVG 2 64.869 31.083 -14.411
353 HOF4 23Y 102 HOF4 EVG 2 66.276 29.391 -14.624
354 HF61 23Y 102 HF61 EVG 2 65.349 32.578 -12.382
355 HF62 23Y 102 HF62 EVG 2 64.858 32.044 -10.770
356 HCF6 23Y 102 HOF6 EVG 2 67.128 31.829 -11.145
Start of MODEL 6
1 H1 ASP 1 1H ASP 1 31.932 30.026 27.844
2 H2 ASP 1 2H ASP 1 31.320 31.233 26.894
3 H3 ASP 1 3H ASP 1 31.154 31.298 28.543
4 HA ASP 1 HA ASP 1 32.836 32.857 27.854
5 HB2 ASP 1 1HB ASP 1 32.863 31.625 30.096
6 HB3 ASP 1 2HB ASP 1 33.999 30.456 29.420
7 H ALA 2 H ALA 2 34.275 29.542 27.207
8 HA ALA 2 HA ALA 2 36.033 30.734 25.099
9 HB1 ALA 2 1HB ALA 2 36.889 28.980 26.645
10 HB2 ALA 2 2HB ALA 2 35.689 27.808 26.028
11 HB3 ALA 2 3HB ALA 2 36.965 28.430 24.959
12 H GLU 3 H GLU 3 35.485 30.941 23.055
13 HA GLU 3 HA GLU 3 33.476 29.035 21.714
14 HB2 GLU 3 2HB GLU 3 32.530 31.327 22.298
15 HB3 GLU 3 1HB GLU 3 33.721 32.064 21.232
16 HG2 GLU 3 1HG GLU 3 32.701 30.769 19.263
17 HG3 GLU 3 2HG GLU 3 31.519 30.047 20.365
18 H PHE 4 H PHE 4 35.060 27.755 20.905
19 HA PHE 4 HA PHE 4 37.284 28.950 19.189
20 HB2 PHE 4 1HB PHE 4 38.488 26.914 19.371
21 HB3 PHE 4 2HB PHE 4 38.093 27.536 20.937
22 HD1 PHE 4 HD1 PHE 4 36.404 26.324 22.415
23 HD2 PHE 4 HD2 PHE 4 37.645 24.699 18.632
24 HE1 PHE 4 HE1 PHE 4 35.486 24.128 23.048
25 HE2 PHE 4 HE2 PHE 4 36.727 22.509 19.278
26 HZ PHE 4 HZ PHE 4 35.642 22.219 21.482
27 H ARG 5 H ARG 5 36.312 29.477 17.339
28 HA ARG 5 HA ARG 5 35.175 27.224 15.589
29 HB2 ARG 5 2HB ARG 5 33.369 28.797 16.608
30 HB3 ARG 5 1HB ARG 5 34.097 30.100 15.702
31 HG2 ARG 5 2HG ARG 5 32.324 29.512 14.342
32 HG3 ARG 5 1HG ARG 5 33.647 28.709 13.528
33 HD2 ARG 5 1HD ARG 5 32.928 26.488 14.656
34 HD3 ARG 5 2HD ARG 5 31.623 27.371 15.480
35 HE ARG 5 HE ARG 5 31.582 27.802 12.520
36 HH11 ARG 5 2HH2 ARG 5 30.486 25.573 14.977
37 HH12 ARG 5 1HH2 ARG 5 29.157 24.940 13.891
38 HH21 ARG 5 2HH1 ARG 5 30.070 27.037 11.333
39 HH22 ARG 5 1HH1 ARG 5 28.951 25.735 11.935
40 H HIS 6 H HIS 6 36.566 26.976 13.966
41 HA HIS 6 HA HIS 6 38.452 29.205 13.124
42 HB2 HIS 6 1HB HIS 6 39.265 26.872 13.661
43 HB3 HIS 6 2HB HIS 6 38.376 26.245 12.285
44 HD2 HIS 6 HD2 HIS 6 39.412 26.739 9.814
45 HE1 HIS 6 HE1 HIS 6 42.969 28.517 11.083
46 HE2 HIS 6 HE2 HIS 6 41.819 27.552 8.983
47 H ASP 7 H ASP 7 37.245 30.608 11.968
48 HA ASP 7 HA ASP 7 36.149 29.698 9.269
49 HB2 ASP 7 1HB ASP 7 34.154 31.022 9.433
50 HB3 ASP 7 2HB ASP 7 34.221 29.870 10.748
51 H SER 8 H SER 8 36.878 32.810 10.938
52 HA SER 8 HA SER 8 37.726 34.040 8.377
53 HB2 SER 8 1HB SER 8 37.986 35.073 11.268
54 HB3 SER 8 2HB SER 8 38.319 36.026 9.831
55 HG SER 8 HG SER 8 36.085 35.528 9.175
56 H GLY 9 H GLY 9 39.682 34.200 7.521
57 HA2 GLY 9 1HA GLY 9 42.070 32.796 8.744
58 HA3 GLY 9 2HA GLY 9 42.001 33.452 7.126
59 H TYR 10 H TYR 10 42.137 35.838 6.947
60 HA TYR 10 HA TYR 10 44.273 36.927 8.832
61 HB2 TYR 10 2HB TYR 10 43.303 37.932 6.096
62 HB3 TYR 10 1HB TYR 10 44.432 38.804 7.082
63 HD1 TYR 10 HD2 TYR 10 46.768 37.989 7.452
64 HD2 TYR 10 HD1 TYR 10 44.036 35.795 4.958
65 HE1 TYR 10 HE2 TYR 10 48.645 36.695 6.513
66 HE2 TYR 10 HE1 TYR 10 45.916 34.509 4.037
67 HH TYR 10 HH TYR 10 48.114 34.168 4.079
68 H GLU 11 H GLU 11 43.603 38.045 10.484
69 HA GLU 11 HA GLU 11 41.466 40.221 10.197
70 HB2 GLU 11 1HB GLU 11 41.590 38.139 12.463
71 HB3 GLU 11 2HB GLU 11 40.771 39.681 12.625
72 HG2 GLU 11 1HG GLU 11 39.202 39.098 10.718
73 HG3 GLU 11 2HG GLU 11 40.010 37.540 10.538
74 H VAL 12 H VAL 12 43.070 41.712 10.035
75 HA VAL 12 HA VAL 12 44.511 42.416 12.617
76 HB VAL 12 HB VAL 12 46.565 43.179 11.453
77 HG11 VAL 12 1HG1 VAL 12 46.187 40.127 11.326
78 HG12 VAL 12 2HG1 VAL 12 47.728 41.007 11.476
79 HG13 VAL 12 3HG1 VAL 12 46.542 41.058 12.795
80 HG21 VAL 12 1HG2 VAL 12 45.851 43.170 9.028
81 HG22 VAL 12 2HG2 VAL 12 45.783 41.394 9.058
82 HG23 VAL 12 3HG2 VAL 12 47.333 42.229 9.313
83 H HIS 13 H HIS 13 43.621 44.254 13.166
84 HA HIS 13 HA HIS 13 42.432 46.120 11.148
85 HB2 HIS 13 2HB HIS 13 41.346 45.458 13.361
86 HB3 HIS 13 1HB HIS 13 42.538 46.418 14.211
87 HD2 HIS 13 HD2 HIS 13 39.463 46.745 11.838
88 HE1 HIS 13 HE1 HIS 13 40.205 50.556 13.365
89 HE2 HIS 13 HE2 HIS 13 38.492 49.228 11.965
90 H HIS 14 H HIS 14 45.008 46.633 13.625
91 HA HIS 14 HA HIS 14 45.864 49.179 12.200
92 HB2 HIS 14 2HB HIS 14 45.620 49.030 14.754
93 HB3 HIS 14 1HB HIS 14 47.001 47.953 14.790
94 HD2 HIS 14 HD2 HIS 14 45.990 51.642 14.094
95 HE1 HIS 14 HE1 HIS 14 50.143 51.639 14.434
96 HE2 HIS 14 HE2 HIS 14 48.127 53.226 14.246
97 H GLN 15 H GLN 15 47.250 48.984 10.572
98 HA GLN 15 HA GLN 15 49.114 46.595 10.262
99 HB2 GLN 15 1HB GLN 15 48.584 48.960 8.345
100 HB3 GLN 15 2HB GLN 15 49.712 47.651 8.061
101 HG2 GLN 15 2HG GLN 15 47.783 45.975 8.187
102 HG3 GLN 15 1HG GLN 15 46.657 47.314 8.263
103 HE21 GLN 15 2HE2 GLN 15 45.937 47.951 6.229
104 HE22 GLN 15 1HE2 GLN 15 46.852 47.608 4.671
105 H LYS 16 H LYS 16 51.292 46.727 10.618
106 HA LYS 16 HA LYS 16 52.552 49.318 11.620
107 HB2 LYS 16 2HB LYS 16 53.662 46.479 11.423
108 HB3 LYS 16 1HB LYS 16 54.630 47.839 11.906
109 HG2 LYS 16 1HG LYS 16 52.061 47.059 13.443
110 HG3 LYS 16 2HG LYS 16 53.622 46.324 13.759
111 HD2 LYS 16 1HD LYS 16 54.638 48.548 14.296
112 HD3 LYS 16 2HD LYS 16 53.123 49.373 14.015
113 HE2 LYS 16 2HE LYS 16 53.492 47.136 16.156
114 HE3 LYS 16 1HE LYS 16 53.815 48.827 16.487
115 HZ1 LYS 16 2HZ LYS 16 51.119 47.795 15.586
116 HZ2 LYS 16 3HZ LYS 16 51.484 48.264 17.119
117 HZ3 LYS 16 1HZ LYS 16 51.443 49.360 15.897
118 H LEU 17 H LEU 17 51.942 50.191 9.576
119 HA LEU 17 HA LEU 17 54.171 50.962 7.907
120 HB2 LEU 17 2HB LEU 17 53.511 50.183 5.651
121 HB3 LEU 17 1HB LEU 17 54.095 48.927 6.698
122 HG LEU 17 HG LEU 17 51.648 48.180 7.057
123 HD11 LEU 17 2HD1 LEU 17 50.400 50.201 6.162
124 HD12 LEU 17 3HD1 LEU 17 50.014 48.762 5.221
125 HD13 LEU 17 1HD1 LEU 17 51.139 49.964 4.561
126 HD21 LEU 17 1HD2 LEU 17 53.272 46.959 5.578
127 HD22 LEU 17 2HD2 LEU 17 52.824 47.993 4.201
128 HD23 LEU 17 3HD2 LEU 17 51.629 46.887 4.919
129 H VAL 18 H VAL 18 53.506 52.780 6.514
130 HA VAL 18 HA VAL 18 51.348 54.348 7.648
131 HB VAL 18 HB VAL 18 51.541 55.943 5.741
132 HG11 VAL 18 1HG2 VAL 18 52.816 56.256 7.867
133 HG12 VAL 18 2HG2 VAL 18 53.675 56.906 6.463
134 HG13 VAL 18 3HG2 VAL 18 54.197 55.365 7.183
135 HG21 VAL 18 1HG1 VAL 18 53.425 55.874 4.162
136 HG22 VAL 18 2HG1 VAL 18 53.954 54.285 4.764
137 HG23 VAL 18 3HG1 VAL 18 52.407 54.448 3.901
138 H PHE 19 H PHE 19 49.378 53.623 7.675
139 HA PHE 19 HA PHE 19 48.062 52.112 5.571
140 HB2 PHE 19 1HB PHE 19 47.630 51.984 8.081
141 HB3 PHE 19 2HB PHE 19 46.815 53.524 8.016
142 HD1 PHE 19 HD1 PHE 19 44.546 53.707 6.864
143 HD2 PHE 19 HD2 PHE 19 46.544 49.926 7.273
144 HE1 PHE 19 HE1 PHE 19 42.435 52.532 6.378
145 HE2 PHE 19 HE2 PHE 19 44.396 48.764 6.816
146 HZ PHE 19 HZ PHE 19 42.369 50.062 6.342
147 H PHE 20 H PHE 20 46.946 52.757 3.845
148 HA PHE 20 HA PHE 20 46.270 55.709 3.415
149 HB2 PHE 20 2HB PHE 20 46.419 53.376 1.418
150 HB3 PHE 20 1HB PHE 20 45.765 54.937 1.022
151 HD1 PHE 20 HD2 PHE 20 47.213 56.964 0.832
152 HD2 PHE 20 HD1 PHE 20 48.917 53.140 1.821
153 HE1 PHE 20 HE2 PHE 20 49.461 57.814 0.290
154 HE2 PHE 20 HE1 PHE 20 51.154 54.003 1.276
155 HZ PHE 20 HZ PHE 20 51.432 56.338 0.507
156 H ALA 21 H ALA 21 44.327 56.273 4.064
157 HA ALA 21 HA ALA 21 42.019 54.396 4.408
158 HB1 ALA 21 1HB ALA 21 40.891 56.500 5.243
159 HB2 ALA 21 2HB ALA 21 42.256 57.481 4.688
160 HB3 ALA 21 3HB ALA 21 42.483 56.292 6.000
161 H GLU 22 H GLU 22 39.977 54.549 3.315
162 HA GLU 22 HA GLU 22 40.196 55.130 0.407
163 HB2 GLU 22 1HB GLU 22 38.160 54.042 0.064
164 HB3 GLU 22 2HB GLU 22 39.178 53.091 1.117
165 HG2 GLU 22 1HG GLU 22 37.709 53.778 3.116
166 HG3 GLU 22 2HG GLU 22 36.694 54.712 2.018
167 H ASP 23 H ASP 23 40.716 57.320 1.031
168 HA ASP 23 HA ASP 23 38.792 59.116 -0.270
169 HB2 ASP 23 1HB ASP 23 38.546 60.890 1.426
170 HB3 ASP 23 2HB ASP 23 37.646 59.441 1.797
171 H VAL 24 H VAL 24 40.328 59.622 -1.688
172 HA VAL 24 HA VAL 24 42.878 61.019 -0.741
173 HB VAL 24 HB VAL 24 42.958 58.760 -2.817
174 HG11 VAL 24 1HG1 VAL 24 45.428 59.146 -2.887
175 HG12 VAL 24 2HG1 VAL 24 44.594 60.640 -3.340
176 HG13 VAL 24 3HG1 VAL 24 45.298 60.479 -1.714
177 HG21 VAL 24 1HG2 VAL 24 44.467 57.532 -1.232
178 HG22 VAL 24 2HG2 VAL 24 42.903 57.818 -0.460
179 HG23 VAL 24 3HG2 VAL 24 44.289 58.823 -0.013
180 H GLY 25 H GLY 25 42.215 62.947 -1.381
181 HA2 GLY 25 1HA GLY 25 40.690 63.429 -3.955
182 HA3 GLY 25 2HA GLY 25 41.060 64.633 -2.742
183 H SER 26 H SER 26 41.753 63.800 -5.794
184 HA SER 26 HA SER 26 44.658 64.531 -5.915
185 HB2 SER 26 1HB SER 26 44.384 64.224 -8.359
186 HB3 SER 26 2HB SER 26 43.699 62.859 -7.483
187 HG SER 26 HG SER 26 42.102 65.086 -8.219
188 H ASN 27 H ASN 27 45.549 66.435 -6.705
189 HA ASN 27 HA ASN 27 43.983 68.937 -6.387
190 HB2 ASN 27 2HB ASN 27 46.432 68.555 -5.720
191 HB3 ASN 27 1HB ASN 27 46.859 68.604 -7.417
192 HD21 ASN 27 2HD2 ASN 27 45.782 70.529 -4.677
193 HD22 ASN 27 1HD2 ASN 27 46.141 72.123 -5.529
194 H LYS 28 H LYS 28 42.356 68.701 -7.886
195 HA LYS 28 HA LYS 28 42.967 69.780 -10.636
196 HB2 LYS 28 1HB LYS 28 41.493 68.199 -11.842
197 HB3 LYS 28 2HB LYS 28 42.973 67.483 -11.242
198 HG2 LYS 28 1HG LYS 28 41.715 66.347 -9.394
199 HG3 LYS 28 2HG LYS 28 40.241 67.157 -9.844
200 HD2 LYS 28 2HD LYS 28 39.958 65.003 -10.722
201 HD3 LYS 28 1HD LYS 28 40.285 66.005 -12.124
202 HE2 LYS 28 2HE LYS 28 42.723 65.142 -12.127
203 HE3 LYS 28 1HE LYS 28 42.358 64.144 -10.725
204 HZ1 LYS 28 2HZ LYS 28 42.045 62.829 -12.800
205 HZ2 LYS 28 3HZ LYS 28 40.590 62.991 -12.060
206 HZ3 LYS 28 1HZ LYS 28 40.938 63.897 -13.379
207 H GLY 29 H GLY 29 41.575 71.243 -11.269
208 HA2 GLY 29 1HA GLY 29 38.736 71.525 -10.725
209 HA3 GLY 29 2HA GLY 29 39.555 72.323 -9.384
210 H ALA 30 H ALA 30 39.231 72.235 -12.880
211 HA ALA 30 HA ALA 30 40.068 75.190 -13.071
212 HB1 ALA 30 1HB ALA 30 41.574 73.633 -14.312
213 HB2 ALA 30 2HB ALA 30 40.677 74.682 -15.430
214 HB3 ALA 30 3HB ALA 30 40.188 72.984 -15.231
215 H ILE 31 H ILE 31 38.334 76.438 -13.173
216 HA ILE 31 HA ILE 31 36.179 75.932 -15.194
217 HB ILE 31 HB ILE 31 34.286 76.556 -13.716
218 HG12 ILE 31 1HG1 ILE 31 35.764 75.541 -11.230
219 HG13 ILE 31 2HG1 ILE 31 35.883 77.230 -11.647
220 HG21 ILE 31 2HG2 ILE 31 35.513 73.809 -13.056
221 HG22 ILE 31 3HG2 ILE 31 34.596 74.211 -14.520
222 HG23 ILE 31 1HG2 ILE 31 33.796 74.245 -12.936
223 HD11 ILE 31 1HD1 ILE 31 34.031 76.935 -10.046
224 HD12 ILE 31 2HD1 ILE 31 33.202 75.787 -11.123
225 HD13 ILE 31 3HD1 ILE 31 33.373 77.498 -11.597
226 H ILE 32 H ILE 32 36.111 77.732 -16.359
227 HA ILE 32 HA ILE 32 37.283 80.274 -15.272
228 HB ILE 32 HB ILE 32 37.995 79.483 -17.478
229 HG12 ILE 32 2HG1 ILE 32 37.749 81.666 -18.794
230 HG13 ILE 32 1HG1 ILE 32 36.682 82.268 -17.550
231 HG21 ILE 32 3HG2 ILE 32 35.232 80.255 -18.620
232 HG22 ILE 32 1HG2 ILE 32 36.650 79.677 -19.529
233 HG23 ILE 32 2HG2 ILE 32 35.814 78.588 -18.412
234 HD11 ILE 32 1HD1 ILE 32 38.635 82.084 -15.864
235 HD12 ILE 32 2HD1 ILE 32 39.659 81.454 -17.182
236 HD13 ILE 32 3HD1 ILE 32 39.019 83.106 -17.262
237 H GLY 33 H GLY 33 36.289 82.163 -14.956
238 HA2 GLY 33 1HA GLY 33 33.440 82.794 -15.563
239 HA3 GLY 33 2HA GLY 33 33.601 82.274 -13.890
240 H LEU 34 H LEU 34 34.741 84.646 -16.240
241 HA LEU 34 HA LEU 34 35.883 86.451 -14.085
242 HB2 LEU 34 1HB LEU 34 37.014 85.992 -16.315
243 HB3 LEU 34 2HB LEU 34 35.781 86.927 -17.129
244 HG LEU 34 HG LEU 34 37.546 88.090 -14.867
245 HD11 LEU 34 1HD2 LEU 34 39.076 88.971 -16.638
246 HD12 LEU 34 2HD2 LEU 34 38.143 88.138 -17.903
247 HD13 LEU 34 3HD2 LEU 34 39.037 87.202 -16.682
248 HD21 LEU 34 2HD1 LEU 34 36.055 89.534 -17.175
249 HD22 LEU 34 3HD1 LEU 34 37.072 90.310 -15.940
250 HD23 LEU 34 1HD1 LEU 34 35.553 89.547 -15.471
251 H MET 35 H MET 35 34.541 87.750 -13.033
252 HA MET 35 HA MET 35 32.307 89.204 -14.508
253 HB2 MET 35 1HB MET 35 30.686 88.958 -12.761
254 HB3 MET 35 2HB MET 35 31.131 87.415 -13.450
255 HG2 MET 35 2HG MET 35 32.505 86.875 -11.366
256 HG3 MET 35 1HG MET 35 32.058 88.446 -10.687
257 HE1 MET 35 2HE MET 35 31.105 84.758 -10.948
258 HE2 MET 35 1HE MET 35 29.320 84.739 -11.047
259 HE3 MET 35 3HE MET 35 30.285 85.263 -12.459
260 H VAL 36 H VAL 36 33.017 91.178 -14.558
261 HA VAL 36 HA VAL 36 33.767 92.634 -11.990
262 HB VAL 36 HB VAL 36 35.503 92.827 -14.520
263 HG11 VAL 36 1HG1 VAL 36 36.928 94.432 -13.239
264 HG12 VAL 36 2HG1 VAL 36 35.283 95.070 -13.347
265 HG13 VAL 36 3HG1 VAL 36 35.847 94.335 -11.829
266 HG21 VAL 36 1HG2 VAL 36 36.105 90.782 -13.150
267 HG22 VAL 36 2HG2 VAL 36 36.327 91.797 -11.713
268 HG23 VAL 36 3HG2 VAL 36 37.401 91.984 -13.125
269 H GLY 37 H GLY 37 31.993 93.849 -11.951
270 HA2 GLY 37 1HA GLY 37 31.432 95.970 -13.958
271 HA3 GLY 37 2HA GLY 37 30.299 94.644 -14.176
272 H GLY 38 H GLY 38 28.840 94.178 -12.483
273 HA2 GLY 38 1HA GLY 38 28.716 95.629 -9.898
274 HA3 GLY 38 2HA GLY 38 27.657 96.427 -11.054
275 H VAL 39 H VAL 39 28.246 93.464 -9.305
276 HA VAL 39 HA VAL 39 25.305 92.727 -9.556
277 HB VAL 39 HB VAL 39 26.491 91.437 -11.279
278 HG11 VAL 39 1HG2 VAL 39 27.904 89.804 -9.074
279 HG12 VAL 39 2HG2 VAL 39 28.716 90.946 -10.169
280 HG13 VAL 39 3HG2 VAL 39 27.931 89.496 -10.825
281 HG21 VAL 39 1HG1 VAL 39 24.356 90.592 -10.290
282 HG22 VAL 39 2HG1 VAL 39 25.403 89.275 -10.841
283 HG23 VAL 39 3HG1 VAL 39 25.272 89.633 -9.102
284 H VAL 40 H VAL 40 24.797 93.390 -7.552
285 HA VAL 40 HA VAL 40 25.973 91.920 -5.206
286 HB VAL 40 HB VAL 40 27.300 94.027 -5.404
287 HG11 VAL 40 1HG2 VAL 40 26.424 96.250 -4.767
288 HG12 VAL 40 2HG2 VAL 40 25.537 95.670 -6.196
289 HG13 VAL 40 3HG2 VAL 40 24.773 95.602 -4.597
290 HG21 VAL 40 1HG1 VAL 40 25.634 93.882 -2.820
291 HG22 VAL 40 2HG1 VAL 40 27.040 92.862 -3.202
292 HG23 VAL 40 3HG1 VAL 40 27.250 94.613 -3.002
293 HCG9 23Y 101 HCG9 EVG 1 50.346 43.198 -1.246
294 HCG3 23Y 101 HCG3 EVG 1 46.762 43.144 1.467
295 HCG7 23Y 101 HCG7 EVG 1 49.252 39.315 -2.646
296 HCG4 23Y 101 HCG4 EVG 1 47.998 40.442 2.208
297 HCB1 23Y 101 HCB1 EVG 1 49.972 42.594 3.324
298 HCB2 23Y 101 HCB2 EVG 1 50.230 43.070 5.731
299 HOB3 23Y 101 HOB3 EVG 1 47.437 43.840 7.762
300 HCB4 23Y 101 HCB4 EVG 1 46.007 43.682 6.078
301 HCB5 23Y 101 HCB5 EVG 1 45.728 43.213 3.684
302 HCC1 23Y 101 HCC1 EVG 1 45.345 41.555 -0.337
303 HOC2 23Y 101 HOC2 EVG 1 41.963 40.518 -0.236
304 HCC3 23Y 101 HCC3 EVG 1 42.223 39.470 1.701
305 HOC4 23Y 101 HOC4 EVG 1 42.761 38.531 3.615
306 HCC5 23Y 101 HCC5 EVG 1 46.131 39.586 3.416
307 HCD1 23Y 101 HCD1 EVG 1 46.990 38.466 0.349
308 HCD2 23Y 101 HCD2 EVG 1 48.120 37.500 -2.287
309 HCE1 23Y 101 HCE1 EVG 1 44.673 34.493 0.954
310 HOE2 23Y 101 HOE2 EVG 1 44.299 32.482 0.062
311 HCE3 23Y 101 HCE3 EVG 1 46.390 33.133 -2.725
312 HCE4 23Y 101 HCE4 EVG 1 47.558 35.274 -2.988
313 HCE6 23Y 101 HCE6 EVG 1 45.817 36.635 0.722
314 HCF5 23Y 101 HCF5 EVG 1 52.147 45.064 -3.738
315 HCF1 23Y 101 HCF1 EVG 1 52.241 42.615 -2.933
316 HCF2 23Y 101 HCF2 EVG 1 51.352 41.606 -5.711
317 HOF2 23Y 101 HOF2 EVG 1 52.573 40.183 -4.426
318 HCF3 23Y 101 HCF3 EVG 1 53.782 43.386 -5.130
319 HOF3 23Y 101 HOF3 EVG 1 53.879 43.395 -7.349
320 HCF4 23Y 101 HCF4 EVG 1 51.190 44.258 -6.553
321 HOF4 23Y 101 HOF4 EVG 1 53.026 45.368 -7.159
322 HF61 23Y 101 HF61 EVG 1 50.800 46.828 -4.956
323 HF62 23Y 101 HF62 EVG 1 50.027 46.218 -3.489
324 HCF6 23Y 101 HCF6 EVG 1 48.890 44.718 -4.892
325 HCG9 23Y 102 HCG9 EVG 2 27.941 74.980 -5.249
326 HCG3 23Y 102 HCG3 EVG 2 31.850 75.561 -3.136
327 HCG7 23Y 102 HCG7 EVG 2 29.801 72.070 -7.773
328 HCG4 23Y 102 HCG4 EVG 2 32.783 75.887 -6.034
329 HCB1 23Y 102 HCB1 EVG 2 31.007 78.391 -5.451
330 HCB2 23Y 102 HCB2 EVG 2 31.897 80.664 -5.168
331 HOB3 23Y 102 HOB3 EVG 2 33.346 81.958 -4.080
332 HCB4 23Y 102 HCB4 EVG 2 34.587 79.255 -2.147
333 HCB5 23Y 102 HCB5 EVG 2 33.709 76.970 -2.417
334 HCC1 23Y 102 HCC1 EVG 2 32.579 72.911 -3.614
335 HOC2 23Y 102 HOC2 EVG 2 35.401 71.130 -2.439
336 HCC3 23Y 102 HCC3 EVG 2 36.829 72.535 -3.400
337 HOC4 23Y 102 HOC4 EVG 2 38.009 74.095 -4.453
338 HCC5 23Y 102 HCC5 EVG 2 35.117 75.779 -5.584
339 HCD1 23Y 102 HCD1 EVG 2 33.399 73.260 -7.069
340 HCD2 23Y 102 HCD2 EVG 2 31.684 71.295 -8.596
341 HCE1 23Y 102 HCE1 EVG 2 37.285 71.442 -8.827
342 HOE2 23Y 102 HOE2 EVG 2 38.071 69.764 -10.121
343 HCE3 23Y 102 HCE3 EVG 2 34.810 68.774 -11.083
344 HCE4 23Y 102 HCE4 EVG 2 32.804 69.767 -10.078
345 HCE6 23Y 102 HCE6 EVG 2 35.314 72.468 -7.833
346 HCF5 23Y 102 HCF5 EVG 2 25.395 71.156 -9.841
347 HCF1 23Y 102 HCF1 EVG 2 27.685 71.883 -8.530
348 HCF2 23Y 102 HCF2 EVG 2 27.243 70.825 -5.889
349 HOF2 23Y 102 HOF2 EVG 2 26.998 69.465 -8.355
350 HCF3 23Y 102 HCF3 EVG 2 25.289 69.224 -6.317
351 HOF3 23Y 102 HOF3 EVG 2 25.216 71.094 -4.982
352 HCF4 23Y 102 HCF4 EVG 2 23.424 70.331 -7.769
353 HOF4 23Y 102 HOF4 EVG 2 24.393 68.387 -8.221
354 HF61 23Y 102 HF61 EVG 2 23.925 73.053 -10.214
355 HF62 23Y 102 HF62 EVG 2 22.951 71.591 -10.065
356 HCF6 23Y 102 HOF6 EVG 2 22.706 72.245 -7.769
Start of MODEL 7
1 H1 ASP 1 1H ASP 1 24.852 41.151 0.707
2 H2 ASP 1 2H ASP 1 25.138 42.470 -0.272
3 H3 ASP 1 3H ASP 1 24.418 41.168 -0.918
4 HA ASP 1 HA ASP 1 23.255 42.966 1.111
5 HB2 ASP 1 1HB ASP 1 21.776 43.770 -0.623
6 HB3 ASP 1 2HB ASP 1 23.440 43.995 -1.112
7 H ALA 2 H ALA 2 22.175 40.191 -1.002
8 HA ALA 2 HA ALA 2 19.914 39.622 0.738
9 HB1 ALA 2 1HB ALA 2 21.218 37.857 -1.436
10 HB2 ALA 2 2HB ALA 2 19.963 39.100 -1.688
11 HB3 ALA 2 3HB ALA 2 19.594 37.643 -0.746
12 H GLU 3 H GLU 3 23.025 37.828 0.586
13 HA GLU 3 HA GLU 3 22.343 36.579 3.305
14 HB2 GLU 3 2HB GLU 3 22.031 34.977 1.318
15 HB3 GLU 3 1HB GLU 3 23.756 35.106 1.000
16 HG2 GLU 3 1HG GLU 3 24.199 34.154 3.366
17 HG3 GLU 3 2HG GLU 3 22.452 34.009 3.598
18 H PHE 4 H PHE 4 23.735 37.408 4.697
19 HA PHE 4 HA PHE 4 26.479 38.434 3.833
20 HB2 PHE 4 2HB PHE 4 24.925 38.841 6.457
21 HB3 PHE 4 1HB PHE 4 26.561 39.369 6.216
22 HD1 PHE 4 HD2 PHE 4 27.120 41.289 4.713
23 HD2 PHE 4 HD1 PHE 4 23.043 40.020 5.240
24 HE1 PHE 4 HE2 PHE 4 26.324 43.410 3.743
25 HE2 PHE 4 HE1 PHE 4 22.265 42.141 4.269
26 HZ PHE 4 HZ PHE 4 23.897 43.840 3.523
27 H ARG 5 H ARG 5 28.100 37.057 3.952
28 HA ARG 5 HA ARG 5 28.322 35.073 6.273
29 HB2 ARG 5 2HB ARG 5 27.464 33.994 4.088
30 HB3 ARG 5 1HB ARG 5 29.007 34.389 3.344
31 HG2 ARG 5 1HG ARG 5 30.185 32.974 5.135
32 HG3 ARG 5 2HG ARG 5 28.610 32.604 5.849
33 HD2 ARG 5 1HD ARG 5 27.864 31.530 3.671
34 HD3 ARG 5 2HD ARG 5 29.460 31.859 2.963
35 HE ARG 5 HE ARG 5 30.209 30.503 5.289
36 HH11 ARG 5 1HH2 ARG 5 27.917 29.622 2.802
37 HH12 ARG 5 2HH2 ARG 5 28.194 27.839 3.098
38 HH21 ARG 5 2HH1 ARG 5 30.478 28.478 5.583
39 HH22 ARG 5 1HH1 ARG 5 29.577 27.242 4.596
40 H HIS 6 H HIS 6 30.125 35.544 7.363
41 HA HIS 6 HA HIS 6 32.219 37.323 6.204
42 HB2 HIS 6 2HB HIS 6 33.112 37.511 8.427
43 HB3 HIS 6 1HB HIS 6 31.390 37.748 8.451
44 HD2 HIS 6 HD2 HIS 6 34.130 35.292 9.690
45 HE1 HIS 6 HE1 HIS 6 30.618 34.280 11.703
46 HE2 HIS 6 HE2 HIS 6 33.148 33.770 11.652
47 H ASP 7 H ASP 7 34.185 36.816 5.479
48 HA ASP 7 HA ASP 7 35.045 33.925 5.306
49 HB2 ASP 7 1HB ASP 7 36.178 36.475 4.002
50 HB3 ASP 7 2HB ASP 7 36.908 34.887 3.847
51 H SER 8 H SER 8 36.371 33.075 6.713
52 HA SER 8 HA SER 8 37.866 34.762 8.765
53 HB2 SER 8 1HB SER 8 37.439 31.711 8.650
54 HB3 SER 8 2HB SER 8 38.262 32.588 9.941
55 HG SER 8 HG SER 8 35.595 33.128 9.106
56 H GLY 9 H GLY 9 39.992 35.073 8.678
57 HA2 GLY 9 1HA GLY 9 42.002 33.163 7.680
58 HA3 GLY 9 2HA GLY 9 41.707 34.342 6.409
59 H TYR 10 H TYR 10 42.191 36.549 6.860
60 HA TYR 10 HA TYR 10 44.426 36.953 8.918
61 HB2 TYR 10 2HB TYR 10 43.639 38.605 6.449
62 HB3 TYR 10 1HB TYR 10 44.820 39.132 7.619
63 HD1 TYR 10 HD1 TYR 10 47.054 38.013 7.823
64 HD2 TYR 10 HD2 TYR 10 44.196 36.712 4.883
65 HE1 TYR 10 HE1 TYR 10 48.820 36.761 6.642
66 HE2 TYR 10 HE2 TYR 10 45.964 35.464 3.722
67 HH TYR 10 HH TYR 10 48.115 34.893 3.708
68 H GLU 11 H GLU 11 43.850 37.839 10.755
69 HA GLU 11 HA GLU 11 41.604 39.945 10.896
70 HB2 GLU 11 1HB GLU 11 41.022 37.648 11.812
71 HB3 GLU 11 2HB GLU 11 42.313 37.813 12.996
72 HG2 GLU 11 2HG GLU 11 41.102 39.867 13.960
73 HG3 GLU 11 1HG GLU 11 39.817 39.647 12.763
74 H VAL 12 H VAL 12 43.149 41.531 10.512
75 HA VAL 12 HA VAL 12 44.679 42.415 12.967
76 HB VAL 12 HB VAL 12 46.660 43.222 11.702
77 HG11 VAL 12 1HG2 VAL 12 46.789 41.182 13.159
78 HG12 VAL 12 2HG2 VAL 12 46.456 40.154 11.753
79 HG13 VAL 12 3HG2 VAL 12 47.948 41.123 11.814
80 HG21 VAL 12 1HG1 VAL 12 45.898 43.044 9.299
81 HG22 VAL 12 2HG1 VAL 12 45.929 41.271 9.427
82 HG23 VAL 12 3HG1 VAL 12 47.432 42.212 9.590
83 H HIS 13 H HIS 13 43.737 44.261 13.431
84 HA HIS 13 HA HIS 13 42.356 45.916 11.377
85 HB2 HIS 13 2HB HIS 13 41.495 45.423 13.723
86 HB3 HIS 13 1HB HIS 13 42.719 46.488 14.382
87 HD2 HIS 13 HD2 HIS 13 39.445 46.523 12.260
88 HE1 HIS 13 HE1 HIS 13 40.148 50.458 13.454
89 HE2 HIS 13 HE2 HIS 13 38.385 48.972 12.296
90 H HIS 14 H HIS 14 45.124 46.733 13.530
91 HA HIS 14 HA HIS 14 45.682 49.234 11.900
92 HB2 HIS 14 2HB HIS 14 47.096 48.115 14.394
93 HB3 HIS 14 1HB HIS 14 47.619 49.548 13.531
94 HD2 HIS 14 HD2 HIS 14 44.858 48.375 15.942
95 HE1 HIS 14 HE1 HIS 14 44.400 52.494 15.474
96 HE2 HIS 14 HE2 HIS 14 43.540 50.500 16.868
97 H GLN 15 H GLN 15 47.054 49.302 10.292
98 HA GLN 15 HA GLN 15 48.776 46.930 9.520
99 HB2 GLN 15 1HB GLN 15 47.184 48.040 7.932
100 HB3 GLN 15 2HB GLN 15 48.102 49.536 8.025
101 HG2 GLN 15 1HG GLN 15 50.092 48.410 6.984
102 HG3 GLN 15 2HG GLN 15 49.263 46.851 7.019
103 HE21 GLN 15 1HE2 GLN 15 50.062 47.259 4.691
104 HE22 GLN 15 2HE2 GLN 15 48.748 47.954 3.594
105 H LYS 16 H LYS 16 50.508 46.935 10.857
106 HA LYS 16 HA LYS 16 52.282 49.440 11.155
107 HB2 LYS 16 2HB LYS 16 52.321 46.824 12.772
108 HB3 LYS 16 1HB LYS 16 53.564 48.030 12.820
109 HG2 LYS 16 2HG LYS 16 52.374 48.621 14.716
110 HG3 LYS 16 1HG LYS 16 51.866 49.797 13.541
111 HD2 LYS 16 2HD LYS 16 49.899 49.301 14.635
112 HD3 LYS 16 1HD LYS 16 49.698 48.382 13.178
113 HE2 LYS 16 2HE LYS 16 50.695 47.178 15.882
114 HE3 LYS 16 1HE LYS 16 48.997 47.316 15.471
115 HZ1 LYS 16 2HZ LYS 16 49.816 45.088 14.808
116 HZ2 LYS 16 3HZ LYS 16 49.397 45.923 13.443
117 HZ3 LYS 16 1HZ LYS 16 50.980 45.741 13.852
118 H LEU 17 H LEU 17 52.480 49.085 8.827
119 HA LEU 17 HA LEU 17 55.115 47.909 8.097
120 HB2 LEU 17 2HB LEU 17 53.516 45.908 7.987
121 HB3 LEU 17 1HB LEU 17 52.616 46.689 6.712
122 HG LEU 17 HG LEU 17 55.641 46.077 6.470
123 HD11 LEU 17 2HD1 LEU 17 54.443 43.929 6.984
124 HD12 LEU 17 3HD1 LEU 17 55.050 43.942 5.320
125 HD13 LEU 17 1HD1 LEU 17 53.322 44.218 5.628
126 HD21 LEU 17 1HD2 LEU 17 53.493 46.418 4.250
127 HD22 LEU 17 2HD2 LEU 17 54.749 47.601 4.655
128 HD23 LEU 17 3HD2 LEU 17 55.215 46.044 3.994
129 H VAL 18 H VAL 18 55.908 49.391 6.663
130 HA VAL 18 HA VAL 18 54.201 51.591 5.650
131 HB VAL 18 HB VAL 18 56.490 51.945 6.476
132 HG11 VAL 18 1HG1 VAL 18 57.587 50.859 3.800
133 HG12 VAL 18 2HG1 VAL 18 58.513 51.626 5.110
134 HG13 VAL 18 3HG1 VAL 18 57.760 50.040 5.365
135 HG21 VAL 18 1HG2 VAL 18 56.090 53.013 3.615
136 HG22 VAL 18 2HG2 VAL 18 55.337 53.677 5.086
137 HG23 VAL 18 3HG2 VAL 18 57.097 53.727 4.898
138 H PHE 19 H PHE 19 52.801 51.268 4.056
139 HA PHE 19 HA PHE 19 53.043 49.120 2.055
140 HB2 PHE 19 1HB PHE 19 50.858 50.059 3.022
141 HB3 PHE 19 2HB PHE 19 51.064 51.480 2.035
142 HD1 PHE 19 HD1 PHE 19 50.330 47.823 1.988
143 HD2 PHE 19 HD2 PHE 19 50.721 51.334 -0.465
144 HE1 PHE 19 HE1 PHE 19 49.147 46.681 0.158
145 HE2 PHE 19 HE2 PHE 19 49.570 50.162 -2.302
146 HZ PHE 19 HZ PHE 19 48.775 47.843 -1.991
147 H PHE 20 H PHE 20 54.303 49.173 0.314
148 HA PHE 20 HA PHE 20 55.324 51.795 -0.823
149 HB2 PHE 20 1HB PHE 20 56.847 49.766 -0.260
150 HB3 PHE 20 2HB PHE 20 56.171 48.956 -1.648
151 HD1 PHE 20 HD2 PHE 20 56.700 49.838 -3.985
152 HD2 PHE 20 HD1 PHE 20 58.344 51.732 -0.489
153 HE1 PHE 20 HE2 PHE 20 58.357 51.005 -5.384
154 HE2 PHE 20 HE1 PHE 20 59.996 52.888 -1.901
155 HZ PHE 20 HZ PHE 20 60.009 52.526 -4.348
156 H ALA 21 H ALA 21 54.134 52.705 -2.352
157 HA ALA 21 HA ALA 21 52.227 51.283 -4.163
158 HB1 ALA 21 1HB ALA 21 53.336 54.176 -4.240
159 HB2 ALA 21 2HB ALA 21 51.957 53.561 -5.175
160 HB3 ALA 21 3HB ALA 21 51.848 53.650 -3.406
161 H GLU 22 H GLU 22 52.757 50.282 -6.044
162 HA GLU 22 HA GLU 22 55.534 50.090 -6.991
163 HB2 GLU 22 1HB GLU 22 52.913 49.013 -8.160
164 HB3 GLU 22 2HB GLU 22 54.472 48.737 -8.903
165 HG2 GLU 22 1HG GLU 22 55.327 47.534 -6.868
166 HG3 GLU 22 2HG GLU 22 53.796 47.803 -6.036
167 H ASP 23 H ASP 23 55.863 52.333 -7.245
168 HA ASP 23 HA ASP 23 55.962 53.069 -10.176
169 HB2 ASP 23 1HB ASP 23 53.853 54.206 -9.208
170 HB3 ASP 23 2HB ASP 23 54.887 55.114 -8.112
171 H VAL 24 H VAL 24 58.127 52.907 -10.218
172 HA VAL 24 HA VAL 24 59.819 54.600 -8.360
173 HB VAL 24 HB VAL 24 59.646 52.387 -7.282
174 HG11 VAL 24 1HG2 VAL 24 59.663 50.821 -9.268
175 HG12 VAL 24 2HG2 VAL 24 60.873 50.390 -8.043
176 HG13 VAL 24 3HG2 VAL 24 61.378 51.200 -9.548
177 HG21 VAL 24 1HG1 VAL 24 62.015 52.192 -6.651
178 HG22 VAL 24 2HG1 VAL 24 62.536 53.080 -8.104
179 HG23 VAL 24 3HG1 VAL 24 61.591 53.901 -6.835
180 H GLY 25 H GLY 25 60.935 55.859 -9.585
181 HA2 GLY 25 1HA GLY 25 61.285 55.394 -12.526
182 HA3 GLY 25 2HA GLY 25 61.758 56.838 -11.667
183 H SER 26 H SER 26 63.734 56.582 -10.290
184 HA SER 26 HA SER 26 65.962 55.321 -11.947
185 HB2 SER 26 2HB SER 26 66.128 57.214 -9.521
186 HB3 SER 26 1HB SER 26 67.501 56.647 -10.462
187 HG SER 26 HG SER 26 65.304 58.000 -11.659
188 H ASN 27 H ASN 27 67.270 53.695 -11.215
189 HA ASN 27 HA ASN 27 66.383 52.011 -8.899
190 HB2 ASN 27 1HB ASN 27 67.176 51.123 -11.169
191 HB3 ASN 27 2HB ASN 27 68.802 51.625 -10.758
192 HD21 ASN 27 2HD2 ASN 27 66.259 49.303 -10.048
193 HD22 ASN 27 1HD2 ASN 27 67.391 48.202 -9.098
194 H LYS 28 H LYS 28 66.663 53.320 -7.156
195 HA LYS 28 HA LYS 28 69.381 54.403 -6.365
196 HB2 LYS 28 2HB LYS 28 66.599 54.604 -5.044
197 HB3 LYS 28 1HB LYS 28 68.054 55.255 -4.325
198 HG2 LYS 28 2HG LYS 28 68.425 56.840 -6.179
199 HG3 LYS 28 1HG LYS 28 67.082 56.162 -7.102
200 HD2 LYS 28 2HD LYS 28 65.464 56.849 -5.228
201 HD3 LYS 28 1HD LYS 28 66.816 57.466 -4.311
202 HE2 LYS 28 2HE LYS 28 65.889 59.431 -5.224
203 HE3 LYS 28 1HE LYS 28 67.312 59.155 -6.219
204 HZ1 LYS 28 2HZ LYS 28 65.809 58.090 -7.916
205 HZ2 LYS 28 3HZ LYS 28 64.492 58.346 -6.979
206 HZ3 LYS 28 1HZ LYS 28 65.302 59.627 -7.622
207 H GLY 29 H GLY 29 70.574 53.718 -4.655
208 HA2 GLY 29 1HA GLY 29 69.839 51.795 -2.581
209 HA3 GLY 29 2HA GLY 29 70.507 50.858 -3.911
210 H ALA 30 H ALA 30 72.690 51.383 -4.597
211 HA ALA 30 HA ALA 30 74.526 51.990 -2.291
212 HB1 ALA 30 1HB ALA 30 76.311 51.217 -3.875
213 HB2 ALA 30 2HB ALA 30 75.135 51.138 -5.204
214 HB3 ALA 30 3HB ALA 30 74.980 50.046 -3.800
215 H ILE 31 H ILE 31 75.698 53.782 -2.012
216 HA ILE 31 HA ILE 31 75.496 56.110 -4.002
217 HB ILE 31 HB ILE 31 76.436 56.156 -1.093
218 HG12 ILE 31 1HG1 ILE 31 73.833 57.484 -2.091
219 HG13 ILE 31 2HG1 ILE 31 73.811 55.806 -1.628
220 HG21 ILE 31 2HG2 ILE 31 75.887 58.534 -3.012
221 HG22 ILE 31 3HG2 ILE 31 76.381 58.657 -1.308
222 HG23 ILE 31 1HG2 ILE 31 77.496 57.980 -2.500
223 HD11 ILE 31 1HD1 ILE 31 74.615 58.082 0.288
224 HD12 ILE 31 2HD1 ILE 31 73.107 57.138 0.292
225 HD13 ILE 31 3HD1 ILE 31 74.643 56.343 0.688
226 H ILE 32 H ILE 32 76.972 55.597 -5.527
227 HA ILE 32 HA ILE 32 79.897 55.562 -4.777
228 HB ILE 32 HB ILE 32 80.504 53.793 -6.415
229 HG12 ILE 32 2HG1 ILE 32 77.739 52.495 -6.203
230 HG13 ILE 32 1HG1 ILE 32 78.017 53.670 -7.460
231 HG21 ILE 32 3HG2 ILE 32 80.239 51.886 -4.849
232 HG22 ILE 32 1HG2 ILE 32 78.951 52.748 -3.974
233 HG23 ILE 32 2HG2 ILE 32 80.610 53.379 -3.965
234 HD11 ILE 32 1HD1 ILE 32 79.958 52.347 -8.384
235 HD12 ILE 32 2HD1 ILE 32 79.686 51.090 -7.147
236 HD13 ILE 32 3HD1 ILE 32 78.441 51.426 -8.372
237 H GLY 33 H GLY 33 80.970 56.946 -6.004
238 HA2 GLY 33 1HA GLY 33 79.635 58.294 -8.381
239 HA3 GLY 33 2HA GLY 33 81.131 58.788 -7.629
240 H LEU 34 H LEU 34 79.744 56.265 -9.654
241 HA LEU 34 HA LEU 34 82.361 56.126 -11.274
242 HB2 LEU 34 2HB LEU 34 81.975 54.161 -9.730
243 HB3 LEU 34 1HB LEU 34 80.537 53.723 -10.624
244 HG LEU 34 HG LEU 34 83.327 53.952 -11.949
245 HD11 LEU 34 2HD1 LEU 34 82.071 51.424 -10.681
246 HD12 LEU 34 3HD1 LEU 34 83.473 52.320 -10.050
247 HD13 LEU 34 1HD1 LEU 34 83.589 51.486 -11.608
248 HD21 LEU 34 1HD2 LEU 34 81.406 53.803 -13.603
249 HD22 LEU 34 2HD2 LEU 34 80.831 52.321 -12.810
250 HD23 LEU 34 3HD2 LEU 34 82.401 52.346 -13.647
251 H MET 35 H MET 35 81.896 57.170 -13.082
252 HA MET 35 HA MET 35 79.318 56.553 -14.625
253 HB2 MET 35 2HB MET 35 79.241 58.808 -13.367
254 HB3 MET 35 1HB MET 35 80.566 59.358 -14.378
255 HG2 MET 35 1HG MET 35 78.452 60.190 -15.319
256 HG3 MET 35 2HG MET 35 79.087 58.993 -16.445
257 HE1 MET 35 2HE MET 35 76.760 59.102 -13.099
258 HE2 MET 35 1HE MET 35 76.078 60.145 -14.386
259 HE3 MET 35 3HE MET 35 75.229 58.649 -13.900
260 H VAL 36 H VAL 36 79.977 55.520 -16.378
261 HA VAL 36 HA VAL 36 82.285 56.566 -18.069
262 HB VAL 36 HB VAL 36 82.076 53.598 -17.291
263 HG11 VAL 36 1HG1 VAL 36 82.815 53.892 -19.700
264 HG12 VAL 36 2HG1 VAL 36 84.113 53.239 -18.695
265 HG13 VAL 36 3HG1 VAL 36 84.140 54.954 -19.171
266 HG21 VAL 36 1HG2 VAL 36 84.357 53.834 -16.287
267 HG22 VAL 36 2HG2 VAL 36 84.380 55.577 -16.664
268 HG23 VAL 36 3HG2 VAL 36 83.231 54.930 -15.476
269 H GLY 37 H GLY 37 80.985 57.242 -19.659
270 HA2 GLY 37 1HA GLY 37 79.684 56.825 -21.761
271 HA3 GLY 37 2HA GLY 37 79.166 55.275 -21.150
272 H GLY 38 H GLY 38 78.649 58.727 -20.936
273 HA2 GLY 38 1HA GLY 38 75.744 58.572 -20.747
274 HA3 GLY 38 2HA GLY 38 76.324 58.702 -19.091
275 H VAL 39 H VAL 39 77.403 60.601 -18.472
276 HA VAL 39 HA VAL 39 77.610 62.944 -20.384
277 HB VAL 39 HB VAL 39 76.022 63.196 -17.762
278 HG11 VAL 39 1HG1 VAL 39 75.678 65.595 -18.360
279 HG12 VAL 39 2HG1 VAL 39 76.663 65.417 -19.832
280 HG13 VAL 39 3HG1 VAL 39 77.411 65.268 -18.226
281 HG21 VAL 39 1HG2 VAL 39 74.994 63.620 -20.659
282 HG22 VAL 39 2HG2 VAL 39 74.057 63.873 -19.161
283 HG23 VAL 39 3HG2 VAL 39 74.577 62.247 -19.617
284 H VAL 40 H VAL 40 79.789 63.092 -20.219
285 HA VAL 40 HA VAL 40 81.103 63.550 -17.554
286 HB VAL 40 HB VAL 40 82.178 61.429 -19.514
287 HG11 VAL 40 1HG2 VAL 40 84.056 61.067 -17.905
288 HG12 VAL 40 2HG2 VAL 40 84.038 62.753 -18.449
289 HG13 VAL 40 3HG2 VAL 40 83.426 62.345 -16.830
290 HG21 VAL 40 1HG1 VAL 40 81.955 59.740 -17.665
291 HG22 VAL 40 2HG1 VAL 40 80.371 60.429 -18.050
292 HG23 VAL 40 3HG1 VAL 40 81.233 60.968 -16.595
293 HCG9 23Y 101 HCG9 EVG 1 49.724 42.583 -2.034
294 HCG3 23Y 101 HCG3 EVG 1 47.153 43.798 1.451
295 HCG7 23Y 101 HCG7 EVG 1 47.280 39.110 -2.521
296 HCG4 23Y 101 HCG4 EVG 1 47.789 40.916 2.261
297 HCB1 23Y 101 HCB1 EVG 1 50.483 42.470 2.541
298 HCB2 23Y 101 HCB2 EVG 1 51.507 43.018 4.703
299 HOB3 23Y 101 HOB3 EVG 1 51.210 43.947 6.712
300 HCB4 23Y 101 HCB4 EVG 1 47.861 44.864 5.987
301 HCB5 23Y 101 HCB5 EVG 1 46.816 44.321 3.826
302 HCC1 23Y 101 HCC1 EVG 1 46.199 40.769 4.011
303 HOC2 23Y 101 HOC2 EVG 1 44.623 40.422 5.500
304 HCC3 23Y 101 HCC3 EVG 1 42.073 41.664 3.387
305 HOC4 23Y 101 HOC4 EVG 1 41.550 42.576 1.424
306 HCC5 23Y 101 HCC5 EVG 1 44.910 42.549 0.310
307 HCD1 23Y 101 HCD1 EVG 1 45.807 39.195 1.030
308 HCD2 23Y 101 HCD2 EVG 1 45.872 37.743 -1.624
309 HCE1 23Y 101 HCE1 EVG 1 42.774 36.139 2.762
310 HOE2 23Y 101 HOE2 EVG 1 41.624 34.280 2.283
311 HCE3 23Y 101 HCE3 EVG 1 42.989 34.069 -0.980
312 HCE4 23Y 101 HCE4 EVG 1 44.567 35.743 -1.832
313 HCE6 23Y 101 HCE6 EVG 1 44.343 37.823 1.945
314 HCF5 23Y 101 HCF5 EVG 1 49.466 40.369 -7.854
315 HCF1 23Y 101 HCF1 EVG 1 49.930 42.287 -4.244
316 HCF2 23Y 101 HCF2 EVG 1 51.474 40.418 -3.345
317 HOF2 23Y 101 HOF2 EVG 1 51.947 41.840 -5.729
318 HCF3 23Y 101 HCF3 EVG 1 52.426 38.895 -5.176
319 HOF3 23Y 101 HOF3 EVG 1 50.929 38.269 -3.539
320 HCF4 23Y 101 HCF4 EVG 1 50.733 38.223 -6.981
321 HOF4 23Y 101 HOF4 EVG 1 51.783 40.807 -7.331
322 HF61 23Y 101 HF61 EVG 1 48.208 38.718 -5.606
323 HF62 23Y 101 HF62 EVG 1 48.302 38.280 -7.316
324 HCF6 23Y 101 HCF6 EVG 1 47.123 40.673 -6.336
325 HCG9 23Y 102 HCG9 EVG 2 71.707 54.586 9.341
326 HCG3 23Y 102 HCG3 EVG 2 70.319 58.741 8.422
327 HCG7 23Y 102 HCG7 EVG 2 71.479 53.647 5.176
328 HCG4 23Y 102 HCG4 EVG 2 68.153 57.144 6.959
329 HCB1 23Y 102 HCB1 EVG 2 68.737 60.581 8.679
330 HCB2 23Y 102 HCB2 EVG 2 66.842 61.515 9.944
331 HOB3 23Y 102 HOB3 EVG 2 64.664 59.437 11.821
332 HCB4 23Y 102 HCB4 EVG 2 65.761 57.584 11.259
333 HCB5 23Y 102 HCB5 EVG 2 67.648 56.633 10.002
334 HCC1 23Y 102 HCC1 EVG 2 71.513 58.668 5.920
335 HOC2 23Y 102 HOC2 EVG 2 72.626 60.059 4.597
336 HCC3 23Y 102 HCC3 EVG 2 69.659 61.514 3.329
337 HOC4 23Y 102 HOC4 EVG 2 67.432 61.554 3.352
338 HCC5 23Y 102 HCC5 EVG 2 67.224 58.963 5.745
339 HCD1 23Y 102 HCD1 EVG 2 69.134 56.573 4.293
340 HCD2 23Y 102 HCD2 EVG 2 70.669 54.206 3.206
341 HCE1 23Y 102 HCE1 EVG 2 67.445 57.599 0.111
342 HOE2 23Y 102 HOE2 EVG 2 67.376 56.937 -1.968
343 HCE3 23Y 102 HCE3 EVG 2 69.530 54.171 -1.386
344 HCE4 23Y 102 HCE4 EVG 2 70.411 53.710 0.855
345 HCE6 23Y 102 HCE6 EVG 2 68.308 57.176 2.349
346 HCF5 23Y 102 HCF5 EVG 2 72.656 49.978 4.746
347 HCF1 23Y 102 HCF1 EVG 2 73.493 52.341 5.874
348 HCF2 23Y 102 HCF2 EVG 2 74.221 51.467 8.475
349 HOF2 23Y 102 HOF2 EVG 2 75.768 50.328 7.375
350 HCF3 23Y 102 HCF3 EVG 2 74.131 48.922 8.305
351 HOF3 23Y 102 HOF3 EVG 2 71.688 50.334 8.416
352 HCF4 23Y 102 HCF4 EVG 2 71.991 48.120 7.025
353 HOF4 23Y 102 HOF4 EVG 2 74.373 48.810 5.664
354 HF61 23Y 102 HF61 EVG 2 70.756 48.314 4.688
355 HF62 23Y 102 HF62 EVG 2 69.954 49.200 5.997
356 HCF6 23Y 102 HOF6 EVG 2 70.108 51.086 4.624
Start of MODEL 8
1 H1 ASP 1 1H ASP 1 51.232 15.026 2.157
2 H2 ASP 1 2H ASP 1 50.809 14.933 0.562
3 H3 ASP 1 3H ASP 1 49.709 14.536 1.747
4 HA ASP 1 HA ASP 1 49.171 16.734 0.878
5 HB2 ASP 1 2HB ASP 1 48.796 15.970 3.312
6 HB3 ASP 1 1HB ASP 1 50.310 16.762 3.764
7 H ALA 2 H ALA 2 50.248 18.051 -0.520
8 HA ALA 2 HA ALA 2 53.180 18.753 -0.070
9 HB1 ALA 2 1HB ALA 2 53.172 19.380 -2.467
10 HB2 ALA 2 2HB ALA 2 51.433 19.035 -2.594
11 HB3 ALA 2 3HB ALA 2 52.587 17.722 -2.238
12 H GLU 3 H GLU 3 50.249 20.644 -1.072
13 HA GLU 3 HA GLU 3 51.161 22.842 0.785
14 HB2 GLU 3 2HB GLU 3 51.028 24.667 -0.729
15 HB3 GLU 3 1HB GLU 3 52.265 23.532 -1.217
16 HG2 GLU 3 1HG GLU 3 50.747 22.696 -3.099
17 HG3 GLU 3 2HG GLU 3 49.519 23.867 -2.616
18 H PHE 4 H PHE 4 49.533 22.374 2.108
19 HA PHE 4 HA PHE 4 46.709 23.198 1.235
20 HB2 PHE 4 2HB PHE 4 47.451 20.680 2.850
21 HB3 PHE 4 1HB PHE 4 45.848 21.333 2.809
22 HD1 PHE 4 HD1 PHE 4 48.410 19.591 0.777
23 HD2 PHE 4 HD2 PHE 4 44.409 21.143 0.785
24 HE1 PHE 4 HE1 PHE 4 47.894 18.287 -1.259
25 HE2 PHE 4 HE2 PHE 4 43.906 19.848 -1.251
26 HZ PHE 4 HZ PHE 4 45.645 18.419 -2.273
27 H ARG 5 H ARG 5 46.051 24.802 2.468
28 HA ARG 5 HA ARG 5 47.376 25.417 5.157
29 HB2 ARG 5 1HB ARG 5 45.532 27.123 3.380
30 HB3 ARG 5 2HB ARG 5 46.011 27.585 5.001
31 HG2 ARG 5 1HG ARG 5 48.440 27.590 4.361
32 HG3 ARG 5 2HG ARG 5 48.029 27.087 2.720
33 HD2 ARG 5 2HD ARG 5 46.655 29.196 2.403
34 HD3 ARG 5 1HD ARG 5 47.079 29.728 4.045
35 HE ARG 5 HE ARG 5 49.620 29.222 2.905
36 HH11 ARG 5 2HH1 ARG 5 46.969 31.259 1.889
37 HH12 ARG 5 1HH1 ARG 5 48.103 32.400 1.022
38 HH21 ARG 5 2HH2 ARG 5 50.855 30.553 1.927
39 HH22 ARG 5 1HH2 ARG 5 50.192 32.009 1.061
40 H HIS 6 H HIS 6 46.406 24.675 6.920
41 HA HIS 6 HA HIS 6 43.587 23.642 6.887
42 HB2 HIS 6 1HB HIS 6 45.582 22.451 7.959
43 HB3 HIS 6 2HB HIS 6 45.612 23.678 9.209
44 HD2 HIS 6 HD2 HIS 6 43.443 20.723 7.873
45 HE1 HIS 6 HE1 HIS 6 42.025 21.623 11.693
46 HE2 HIS 6 HE2 HIS 6 41.772 19.900 9.787
47 H ASP 7 H ASP 7 45.216 26.162 8.896
48 HA ASP 7 HA ASP 7 42.510 27.234 9.762
49 HB2 ASP 7 1HB ASP 7 44.433 26.813 11.414
50 HB3 ASP 7 2HB ASP 7 45.319 28.134 10.659
51 H SER 8 H SER 8 41.625 28.836 8.675
52 HA SER 8 HA SER 8 43.294 30.801 7.006
53 HB2 SER 8 1HB SER 8 40.686 29.445 6.086
54 HB3 SER 8 2HB SER 8 41.457 30.812 5.270
55 HG SER 8 HG SER 8 42.028 28.663 4.477
56 H GLY 9 H GLY 9 42.939 32.783 7.657
57 HA2 GLY 9 1HA GLY 9 40.341 34.105 8.095
58 HA3 GLY 9 2HA GLY 9 40.956 33.566 9.655
59 H TYR 10 H TYR 10 41.154 35.985 7.316
60 HA TYR 10 HA TYR 10 43.805 37.115 8.321
61 HB2 TYR 10 1HB TYR 10 41.979 37.997 6.010
62 HB3 TYR 10 2HB TYR 10 43.361 38.902 6.533
63 HD1 TYR 10 HD1 TYR 10 42.325 35.755 4.844
64 HD2 TYR 10 HD2 TYR 10 45.672 38.100 6.142
65 HE1 TYR 10 HE1 TYR 10 43.820 34.440 3.390
66 HE2 TYR 10 HE2 TYR 10 47.153 36.821 4.659
67 HH TYR 10 HH TYR 10 47.298 35.162 3.212
68 H GLU 11 H GLU 11 43.631 38.136 10.175
69 HA GLU 11 HA GLU 11 41.590 40.370 10.496
70 HB2 GLU 11 2HB GLU 11 41.003 39.871 12.742
71 HB3 GLU 11 1HB GLU 11 40.534 38.580 11.660
72 HG2 GLU 11 1HG GLU 11 42.438 37.135 12.537
73 HG3 GLU 11 2HG GLU 11 42.925 38.436 13.626
74 H VAL 12 H VAL 12 43.105 41.790 9.963
75 HA VAL 12 HA VAL 12 45.251 42.417 12.068
76 HB VAL 12 HB VAL 12 45.703 42.648 9.035
77 HG11 VAL 12 1HG2 VAL 12 46.842 44.524 10.317
78 HG12 VAL 12 2HG2 VAL 12 48.015 43.414 9.592
79 HG13 VAL 12 3HG2 VAL 12 47.671 43.328 11.337
80 HG21 VAL 12 1HG1 VAL 12 47.544 40.974 9.318
81 HG22 VAL 12 2HG1 VAL 12 46.004 40.261 9.820
82 HG23 VAL 12 3HG1 VAL 12 47.162 40.797 11.052
83 H HIS 13 H HIS 13 44.164 44.034 13.015
84 HA HIS 13 HA HIS 13 42.490 46.004 11.459
85 HB2 HIS 13 1HB HIS 13 43.011 45.743 14.485
86 HB3 HIS 13 2HB HIS 13 42.063 47.028 13.779
87 HD2 HIS 13 HD2 HIS 13 41.848 43.230 14.513
88 HE1 HIS 13 HE1 HIS 13 38.086 44.427 13.166
89 HE2 HIS 13 HE2 HIS 13 39.328 42.420 14.216
90 H HIS 14 H HIS 14 45.358 46.439 13.589
91 HA HIS 14 HA HIS 14 45.905 49.131 12.210
92 HB2 HIS 14 1HB HIS 14 47.080 48.000 14.822
93 HB3 HIS 14 2HB HIS 14 47.666 49.437 14.019
94 HD2 HIS 14 HD2 HIS 14 44.649 48.204 16.093
95 HE1 HIS 14 HE1 HIS 14 44.178 52.323 15.631
96 HE2 HIS 14 HE2 HIS 14 43.198 50.298 16.895
97 H GLN 15 H GLN 15 47.050 48.821 10.439
98 HA GLN 15 HA GLN 15 49.084 46.564 10.175
99 HB2 GLN 15 2HB GLN 15 47.255 46.934 8.484
100 HB3 GLN 15 1HB GLN 15 47.939 48.506 8.086
101 HG2 GLN 15 1HG GLN 15 50.077 47.353 7.300
102 HG3 GLN 15 2HG GLN 15 49.398 45.788 7.725
103 HE21 GLN 15 1HE2 GLN 15 47.821 44.904 6.307
104 HE22 GLN 15 2HE2 GLN 15 47.381 45.737 4.734
105 H LYS 16 H LYS 16 50.786 47.260 11.402
106 HA LYS 16 HA LYS 16 52.123 49.960 10.822
107 HB2 LYS 16 2HB LYS 16 51.609 49.243 13.194
108 HB3 LYS 16 1HB LYS 16 52.755 47.919 13.022
109 HG2 LYS 16 2HG LYS 16 54.604 49.645 12.585
110 HG3 LYS 16 1HG LYS 16 53.422 50.941 12.788
111 HD2 LYS 16 1HD LYS 16 52.956 50.085 15.187
112 HD3 LYS 16 2HD LYS 16 54.134 48.823 14.922
113 HE2 LYS 16 1HE LYS 16 55.373 50.386 16.162
114 HE3 LYS 16 2HE LYS 16 55.948 50.646 14.524
115 HZ1 LYS 16 2HZ LYS 16 55.385 52.806 15.639
116 HZ2 LYS 16 3HZ LYS 16 53.837 52.330 15.905
117 HZ3 LYS 16 1HZ LYS 16 54.356 52.597 14.375
118 H LEU 17 H LEU 17 52.486 49.204 8.705
119 HA LEU 17 HA LEU 17 55.190 48.166 8.109
120 HB2 LEU 17 1HB LEU 17 53.901 45.943 8.495
121 HB3 LEU 17 2HB LEU 17 52.801 46.414 7.225
122 HG LEU 17 HG LEU 17 54.917 46.493 5.630
123 HD11 LEU 17 2HD1 LEU 17 56.703 46.376 7.441
124 HD12 LEU 17 3HD1 LEU 17 56.122 44.757 7.898
125 HD13 LEU 17 1HD1 LEU 17 56.829 45.034 6.291
126 HD21 LEU 17 1HD2 LEU 17 54.775 44.052 5.184
127 HD22 LEU 17 2HD2 LEU 17 53.164 44.725 5.479
128 HD23 LEU 17 3HD2 LEU 17 53.976 43.775 6.749
129 H VAL 18 H VAL 18 55.722 49.114 6.140
130 HA VAL 18 HA VAL 18 53.627 50.792 4.736
131 HB VAL 18 HB VAL 18 56.584 50.607 3.991
132 HG11 VAL 18 1HG1 VAL 18 56.158 52.798 2.833
133 HG12 VAL 18 2HG1 VAL 18 54.449 52.762 3.324
134 HG13 VAL 18 3HG1 VAL 18 55.079 51.556 2.179
135 HG21 VAL 18 1HG2 VAL 18 55.256 52.762 5.787
136 HG22 VAL 18 2HG2 VAL 18 56.938 52.768 5.199
137 HG23 VAL 18 3HG2 VAL 18 56.408 51.533 6.345
138 H PHE 19 H PHE 19 52.292 49.332 3.815
139 HA PHE 19 HA PHE 19 53.120 46.902 2.440
140 HB2 PHE 19 2HB PHE 19 50.882 47.401 3.650
141 HB3 PHE 19 1HB PHE 19 50.386 48.327 2.263
142 HD1 PHE 19 HD1 PHE 19 51.047 44.911 3.571
143 HD2 PHE 19 HD2 PHE 19 49.810 47.135 0.101
144 HE1 PHE 19 HE1 PHE 19 50.210 42.840 2.521
145 HE2 PHE 19 HE2 PHE 19 48.975 45.059 -0.922
146 HZ PHE 19 HZ PHE 19 49.164 42.914 0.289
147 H PHE 20 H PHE 20 53.300 46.366 0.312
148 HA PHE 20 HA PHE 20 53.618 48.601 -1.730
149 HB2 PHE 20 1HB PHE 20 54.375 45.621 -1.868
150 HB3 PHE 20 2HB PHE 20 54.482 46.699 -3.226
151 HD1 PHE 20 HD1 PHE 20 56.185 48.526 -3.331
152 HD2 PHE 20 HD2 PHE 20 56.000 45.885 0.059
153 HE1 PHE 20 HE1 PHE 20 58.433 49.251 -2.632
154 HE2 PHE 20 HE2 PHE 20 58.245 46.623 0.747
155 HZ PHE 20 HZ PHE 20 59.466 48.303 -0.596
156 H ALA 21 H ALA 21 51.890 49.149 -2.849
157 HA ALA 21 HA ALA 21 49.449 47.497 -3.170
158 HB1 ALA 21 1HB ALA 21 50.335 50.160 -4.501
159 HB2 ALA 21 2HB ALA 21 48.685 49.507 -4.500
160 HB3 ALA 21 3HB ALA 21 49.430 50.005 -2.970
161 H GLU 22 H GLU 22 48.534 46.656 -5.095
162 HA GLU 22 HA GLU 22 50.407 45.386 -7.003
163 HB2 GLU 22 2HB GLU 22 47.342 45.444 -6.903
164 HB3 GLU 22 1HB GLU 22 48.244 44.615 -8.152
165 HG2 GLU 22 2HG GLU 22 49.352 43.107 -6.472
166 HG3 GLU 22 1HG GLU 22 48.496 43.910 -5.155
167 H ASP 23 H ASP 23 51.420 47.172 -7.829
168 HA ASP 23 HA ASP 23 50.163 48.339 -10.372
169 HB2 ASP 23 2HB ASP 23 50.179 49.966 -8.328
170 HB3 ASP 23 1HB ASP 23 51.932 49.995 -8.450
171 H VAL 24 H VAL 24 53.233 47.493 -8.756
172 HA VAL 24 HA VAL 24 54.489 47.110 -11.491
173 HB VAL 24 HB VAL 24 55.185 49.326 -10.611
174 HG11 VAL 24 1HG1 VAL 24 56.881 49.615 -8.849
175 HG12 VAL 24 2HG1 VAL 24 56.896 47.870 -8.488
176 HG13 VAL 24 3HG1 VAL 24 55.450 48.843 -8.139
177 HG21 VAL 24 1HG2 VAL 24 57.547 47.385 -11.001
178 HG22 VAL 24 2HG2 VAL 24 56.560 48.099 -12.303
179 HG23 VAL 24 3HG2 VAL 24 57.544 49.147 -11.269
180 H GLY 25 H GLY 25 55.183 45.136 -11.719
181 HA2 GLY 25 1HA GLY 25 56.416 43.496 -9.467
182 HA3 GLY 25 2HA GLY 25 54.853 42.922 -10.029
183 H SER 26 H SER 26 58.134 43.661 -11.054
184 HA SER 26 HA SER 26 57.899 41.646 -13.356
185 HB2 SER 26 2HB SER 26 59.477 43.012 -14.644
186 HB3 SER 26 1HB SER 26 58.047 43.949 -14.217
187 HG SER 26 HG SER 26 59.957 45.133 -13.857
188 H ASN 27 H ASN 27 59.313 40.026 -13.385
189 HA ASN 27 HA ASN 27 61.466 39.804 -11.259
190 HB2 ASN 27 2HB ASN 27 60.443 37.787 -13.339
191 HB3 ASN 27 1HB ASN 27 61.802 37.472 -12.293
192 HD21 ASN 27 1HD2 ASN 27 61.405 37.171 -10.006
193 HD22 ASN 27 2HD2 ASN 27 59.678 36.844 -9.454
194 H LYS 28 H LYS 28 63.005 41.226 -11.776
195 HA LYS 28 HA LYS 28 64.246 41.365 -14.536
196 HB2 LYS 28 1HB LYS 28 64.806 42.956 -11.955
197 HB3 LYS 28 2HB LYS 28 65.750 43.152 -13.418
198 HG2 LYS 28 2HG LYS 28 63.710 43.887 -14.716
199 HG3 LYS 28 1HG LYS 28 62.711 43.606 -13.306
200 HD2 LYS 28 2HD LYS 28 62.988 45.902 -13.203
201 HD3 LYS 28 1HD LYS 28 64.152 45.348 -12.015
202 HE2 LYS 28 2HE LYS 28 66.030 45.649 -13.768
203 HE3 LYS 28 1HE LYS 28 64.826 46.188 -14.941
204 HZ1 LYS 28 2HZ LYS 28 65.822 48.145 -13.763
205 HZ2 LYS 28 3HZ LYS 28 64.230 48.054 -13.373
206 HZ3 LYS 28 1HZ LYS 28 65.360 47.563 -12.298
207 H GLY 29 H GLY 29 66.259 40.731 -15.060
208 HA2 GLY 29 1HA GLY 29 68.571 40.014 -13.666
209 HA3 GLY 29 2HA GLY 29 67.588 38.591 -13.345
210 H ALA 30 H ALA 30 66.995 37.261 -15.095
211 HA ALA 30 HA ALA 30 68.391 37.728 -17.790
212 HB1 ALA 30 1HB ALA 30 68.335 35.068 -16.205
213 HB2 ALA 30 2HB ALA 30 69.757 36.115 -16.446
214 HB3 ALA 30 3HB ALA 30 69.008 35.299 -17.835
215 H ILE 31 H ILE 31 66.969 37.626 -19.422
216 HA ILE 31 HA ILE 31 64.236 36.331 -19.017
217 HB ILE 31 HB ILE 31 63.505 37.323 -21.115
218 HG12 ILE 31 1HG1 ILE 31 65.764 39.388 -21.126
219 HG13 ILE 31 2HG1 ILE 31 66.018 37.882 -21.972
220 HG21 ILE 31 2HG2 ILE 31 62.940 38.352 -18.917
221 HG22 ILE 31 3HG2 ILE 31 64.376 39.391 -19.002
222 HG23 ILE 31 1HG2 ILE 31 63.061 39.582 -20.183
223 HD11 ILE 31 1HD1 ILE 31 63.675 39.806 -22.571
224 HD12 ILE 31 2HD1 ILE 31 65.134 39.554 -23.557
225 HD13 ILE 31 3HD1 ILE 31 63.952 38.242 -23.380
226 H ILE 32 H ILE 32 64.075 34.269 -19.527
227 HA ILE 32 HA ILE 32 65.911 33.021 -21.602
228 HB ILE 32 HB ILE 32 64.976 30.831 -21.030
229 HG12 ILE 32 2HG1 ILE 32 63.805 31.870 -18.399
230 HG13 ILE 32 1HG1 ILE 32 62.792 31.867 -19.821
231 HG21 ILE 32 3HG2 ILE 32 66.311 32.285 -18.666
232 HG22 ILE 32 1HG2 ILE 32 67.140 31.613 -20.086
233 HG23 ILE 32 2HG2 ILE 32 66.312 30.529 -18.956
234 HD11 ILE 32 1HD1 ILE 32 63.110 29.400 -20.152
235 HD12 ILE 32 2HD1 ILE 32 64.138 29.327 -18.694
236 HD13 ILE 32 3HD1 ILE 32 62.422 29.782 -18.566
237 H GLY 33 H GLY 33 65.331 32.829 -23.629
238 HA2 GLY 33 1HA GLY 33 62.481 33.354 -24.562
239 HA3 GLY 33 2HA GLY 33 63.885 33.196 -25.588
240 H LEU 34 H LEU 34 61.747 31.311 -23.518
241 HA LEU 34 HA LEU 34 61.786 29.005 -25.549
242 HB2 LEU 34 1HB LEU 34 62.063 28.723 -22.498
243 HB3 LEU 34 2HB LEU 34 61.635 27.385 -23.534
244 HG LEU 34 HG LEU 34 64.269 28.926 -23.930
245 HD11 LEU 34 2HD1 LEU 34 64.218 28.007 -21.600
246 HD12 LEU 34 3HD1 LEU 34 63.813 26.389 -22.219
247 HD13 LEU 34 1HD1 LEU 34 65.387 27.132 -22.597
248 HD21 LEU 34 1HD2 LEU 34 63.558 27.464 -25.883
249 HD22 LEU 34 2HD2 LEU 34 65.020 26.849 -25.096
250 HD23 LEU 34 3HD2 LEU 34 63.456 26.059 -24.795
251 H MET 35 H MET 35 59.772 28.693 -26.218
252 HA MET 35 HA MET 35 57.374 29.651 -24.592
253 HB2 MET 35 1HB MET 35 57.600 28.711 -27.513
254 HB3 MET 35 2HB MET 35 56.072 28.999 -26.709
255 HG2 MET 35 1HG MET 35 56.647 31.415 -26.313
256 HG3 MET 35 2HG MET 35 58.217 31.177 -27.110
257 HE1 MET 35 2HE MET 35 56.161 33.145 -29.831
258 HE2 MET 35 1HE MET 35 57.658 33.093 -28.853
259 HE3 MET 35 3HE MET 35 56.073 33.356 -28.057
260 H VAL 36 H VAL 36 56.431 28.243 -23.300
261 HA VAL 36 HA VAL 36 56.532 25.216 -23.869
262 HB VAL 36 HB VAL 36 56.074 26.610 -21.183
263 HG11 VAL 36 1HG1 VAL 36 56.309 23.571 -21.769
264 HG12 VAL 36 2HG1 VAL 36 54.805 24.417 -21.341
265 HG13 VAL 36 3HG1 VAL 36 56.126 24.329 -20.169
266 HG21 VAL 36 1HG2 VAL 36 58.521 26.660 -21.881
267 HG22 VAL 36 2HG2 VAL 36 58.259 25.621 -20.472
268 HG23 VAL 36 3HG2 VAL 36 58.503 24.896 -22.082
269 H GLY 37 H GLY 37 54.823 24.929 -25.160
270 HA2 GLY 37 1HA GLY 37 52.029 25.204 -24.178
271 HA3 GLY 37 2HA GLY 37 52.386 26.506 -25.304
272 H GLY 38 H GLY 38 52.899 25.928 -27.483
273 HA2 GLY 38 1HA GLY 38 51.544 23.359 -28.461
274 HA3 GLY 38 2HA GLY 38 51.939 24.731 -29.465
275 H VAL 39 H VAL 39 54.187 25.014 -30.089
276 HA VAL 39 HA VAL 39 55.654 22.369 -30.390
277 HB VAL 39 HB VAL 39 55.040 23.597 -32.427
278 HG11 VAL 39 1HG2 VAL 39 57.206 25.702 -31.787
279 HG12 VAL 39 2HG2 VAL 39 56.250 25.558 -33.282
280 HG13 VAL 39 3HG2 VAL 39 55.456 26.014 -31.764
281 HG21 VAL 39 1HG1 VAL 39 56.916 21.941 -32.434
282 HG22 VAL 39 2HG1 VAL 39 58.085 23.253 -32.147
283 HG23 VAL 39 3HG1 VAL 39 57.130 23.211 -33.650
284 H VAL 40 H VAL 40 57.252 21.905 -29.024
285 HA VAL 40 HA VAL 40 58.619 24.103 -27.405
286 HB VAL 40 HB VAL 40 59.524 22.372 -25.931
287 HG11 VAL 40 1HG2 VAL 40 56.445 22.368 -25.912
288 HG12 VAL 40 2HG2 VAL 40 57.492 23.657 -25.267
289 HG13 VAL 40 3HG2 VAL 40 57.523 22.042 -24.529
290 HG21 VAL 40 1HG1 VAL 40 59.340 20.282 -27.319
291 HG22 VAL 40 2HG1 VAL 40 58.629 20.090 -25.709
292 HG23 VAL 40 3HG1 VAL 40 57.572 20.303 -27.128
293 HCG9 23Y 101 HCG9 EVG 1 44.850 46.802 3.980
294 HCG3 23Y 101 HCG3 EVG 1 44.491 42.527 5.396
295 HCG7 23Y 101 HCG7 EVG 1 42.740 45.748 0.421
296 HCG4 23Y 101 HCG4 EVG 1 45.558 42.043 2.573
297 HCB1 23Y 101 HCB1 EVG 1 45.509 40.451 6.131
298 HCB2 23Y 101 HCB2 EVG 1 47.558 39.267 6.824
299 HOB3 23Y 101 HOB3 EVG 1 49.780 39.207 6.727
300 HCB4 23Y 101 HCB4 EVG 1 49.949 42.171 4.794
301 HCB5 23Y 101 HCB5 EVG 1 47.909 43.343 4.047
302 HCC1 23Y 101 HCC1 EVG 1 42.070 42.287 4.174
303 HOC2 23Y 101 HOC2 EVG 1 40.087 41.339 4.534
304 HCC3 23Y 101 HCC3 EVG 1 41.139 38.231 3.185
305 HOC4 23Y 101 HOC4 EVG 1 44.423 37.647 2.018
306 HCC5 23Y 101 HCC5 EVG 1 45.045 39.757 2.374
307 HCD1 23Y 101 HCD1 EVG 1 43.335 41.959 0.739
308 HCD2 23Y 101 HCD2 EVG 1 42.079 44.165 -0.906
309 HCE1 23Y 101 HCE1 EVG 1 41.844 38.724 -2.236
310 HOE2 23Y 101 HOE2 EVG 1 40.776 38.427 -4.169
311 HCE3 23Y 101 HCE3 EVG 1 40.187 41.897 -4.585
312 HCE4 23Y 101 HCE4 EVG 1 40.984 43.543 -2.950
313 HCE6 23Y 101 HCE6 EVG 1 42.644 40.333 -0.586
314 HCF5 23Y 101 HCF5 EVG 1 44.481 50.273 4.789
315 HCF1 23Y 101 HCF1 EVG 1 44.879 48.985 2.578
316 HCF2 23Y 101 HCF2 EVG 1 42.185 49.954 1.446
317 HOF2 23Y 101 HOF2 EVG 1 43.506 50.831 -0.126
318 HCF3 23Y 101 HCF3 EVG 1 44.452 51.753 2.495
319 HOF3 23Y 101 HOF3 EVG 1 43.142 52.670 0.935
320 HCF4 23Y 101 HCF4 EVG 1 41.717 51.282 3.827
321 HOF4 23Y 101 HOF4 EVG 1 44.085 52.697 4.515
322 HF61 23Y 101 HF61 EVG 1 41.648 49.746 5.893
323 HF62 23Y 101 HF62 EVG 1 43.134 48.976 6.458
324 HCF6 23Y 101 HCF6 EVG 1 42.707 51.793 6.394
325 HCG9 23Y 102 HCG9 EVG 2 54.752 44.127 -26.241
326 HCG3 23Y 102 HCG3 EVG 2 53.707 40.057 -24.690
327 HCG7 23Y 102 HCG7 EVG 2 58.306 44.059 -23.870
328 HCG4 23Y 102 HCG4 EVG 2 54.241 41.505 -22.045
329 HCB1 23Y 102 HCB1 EVG 2 52.211 38.530 -23.513
330 HCB2 23Y 102 HCB2 EVG 2 49.970 38.153 -22.563
331 HOB3 23Y 102 HOB3 EVG 2 47.884 40.859 -21.610
332 HCB4 23Y 102 HCB4 EVG 2 49.387 42.383 -22.222
333 HCB5 23Y 102 HCB5 EVG 2 51.620 42.778 -23.169
334 HCC1 23Y 102 HCC1 EVG 2 54.238 39.564 -20.673
335 HOC2 23Y 102 HOC2 EVG 2 55.547 36.441 -19.667
336 HCC3 23Y 102 HCC3 EVG 2 56.741 36.213 -21.529
337 HOC4 23Y 102 HOC4 EVG 2 57.803 36.247 -23.479
338 HCC5 23Y 102 HCC5 EVG 2 56.406 39.369 -24.389
339 HCD1 23Y 102 HCD1 EVG 2 57.086 41.278 -21.494
340 HCD2 23Y 102 HCD2 EVG 2 59.359 43.151 -22.174
341 HCE1 23Y 102 HCE1 EVG 2 59.438 39.522 -17.889
342 HOE2 23Y 102 HOE2 EVG 2 61.370 39.718 -16.705
343 HCE3 23Y 102 HCE3 EVG 2 62.570 42.287 -18.821
344 HCE4 23Y 102 HCE4 EVG 2 61.282 43.127 -20.733
345 HCE6 23Y 102 HCE6 EVG 2 58.129 40.335 -19.786
346 HCF5 23Y 102 HCF5 EVG 2 60.478 46.817 -24.528
347 HCF1 23Y 102 HCF1 EVG 2 59.096 45.214 -26.048
348 HCF2 23Y 102 HCF2 EVG 2 57.353 47.572 -26.990
349 HOF2 23Y 102 HOF2 EVG 2 58.453 47.033 -28.973
350 HCF3 23Y 102 HCF3 EVG 2 60.421 47.363 -27.179
351 HOF3 23Y 102 HOF3 EVG 2 58.636 49.524 -27.621
352 HCF4 23Y 102 HCF4 EVG 2 58.787 49.256 -25.377
353 HOF4 23Y 102 HOF4 EVG 2 61.557 48.671 -25.659
354 HF61 23Y 102 HF61 EVG 2 60.442 48.634 -22.804
355 HF62 23Y 102 HF62 EVG 2 59.614 47.167 -22.277
356 HCF6 23Y 102 HOF6 EVG 2 58.319 49.451 -23.386
Start of MODEL 9
1 H1 ASP 1 1H ASP 1 35.929 10.921 6.499
2 H2 ASP 1 2H ASP 1 36.768 12.051 7.377
3 H3 ASP 1 3H ASP 1 35.134 11.943 7.556
4 HA ASP 1 HA ASP 1 34.757 12.690 5.282
5 HB2 ASP 1 1HB ASP 1 36.461 14.515 7.117
6 HB3 ASP 1 2HB ASP 1 35.625 15.084 5.683
7 H ALA 2 H ALA 2 35.570 12.570 3.274
8 HA ALA 2 HA ALA 2 38.454 11.968 2.786
9 HB1 ALA 2 1HB ALA 2 36.638 10.763 1.583
10 HB2 ALA 2 2HB ALA 2 36.087 12.282 0.824
11 HB3 ALA 2 3HB ALA 2 37.688 11.616 0.437
12 H GLU 3 H GLU 3 36.408 14.808 1.953
13 HA GLU 3 HA GLU 3 38.778 16.201 0.675
14 HB2 GLU 3 1HB GLU 3 36.409 16.196 -0.327
15 HB3 GLU 3 2HB GLU 3 35.893 17.211 1.013
16 HG2 GLU 3 2HG GLU 3 37.611 18.988 0.245
17 HG3 GLU 3 1HG GLU 3 38.048 17.934 -1.104
18 H PHE 4 H PHE 4 40.074 17.411 1.880
19 HA PHE 4 HA PHE 4 39.378 18.222 4.713
20 HB2 PHE 4 1HB PHE 4 42.007 18.475 3.124
21 HB3 PHE 4 2HB PHE 4 41.802 19.077 4.740
22 HD1 PHE 4 HD1 PHE 4 41.620 17.544 6.703
23 HD2 PHE 4 HD2 PHE 4 42.084 15.970 2.726
24 HE1 PHE 4 HE1 PHE 4 42.225 15.344 7.632
25 HE2 PHE 4 HE2 PHE 4 42.681 13.780 3.670
26 HZ PHE 4 HZ PHE 4 42.755 13.461 6.121
27 H ARG 5 H ARG 5 38.579 20.156 5.207
28 HA ARG 5 HA ARG 5 38.473 22.412 3.170
29 HB2 ARG 5 2HB ARG 5 37.163 22.128 5.930
30 HB3 ARG 5 1HB ARG 5 37.052 23.580 4.974
31 HG2 ARG 5 2HG ARG 5 36.061 20.853 3.929
32 HG3 ARG 5 1HG ARG 5 35.055 21.891 4.899
33 HD2 ARG 5 1HD ARG 5 36.278 22.781 2.196
34 HD3 ARG 5 2HD ARG 5 34.707 21.987 2.353
35 HE ARG 5 HE ARG 5 34.540 24.195 4.175
36 HH11 ARG 5 2HH2 ARG 5 35.000 23.865 0.732
37 HH12 ARG 5 1HH2 ARG 5 34.210 25.483 0.408
38 HH21 ARG 5 1HH1 ARG 5 33.635 26.012 3.755
39 HH22 ARG 5 2HH1 ARG 5 33.471 26.616 2.047
40 H HIS 6 H HIS 6 39.958 23.943 3.161
41 HA HIS 6 HA HIS 6 41.409 24.770 5.732
42 HB2 HIS 6 2HB HIS 6 42.838 23.276 4.202
43 HB3 HIS 6 1HB HIS 6 42.737 24.505 2.959
44 HD2 HIS 6 HD2 HIS 6 44.335 23.783 6.430
45 HE1 HIS 6 HE1 HIS 6 46.208 27.207 4.952
46 HE2 HIS 6 HE2 HIS 6 46.348 25.484 6.868
47 H ASP 7 H ASP 7 40.655 26.727 6.151
48 HA ASP 7 HA ASP 7 40.627 28.861 3.988
49 HB2 ASP 7 1HB ASP 7 38.513 29.795 4.708
50 HB3 ASP 7 2HB ASP 7 38.325 28.175 4.082
51 H SER 8 H SER 8 41.994 30.346 4.560
52 HA SER 8 HA SER 8 42.852 30.712 7.441
53 HB2 SER 8 1HB SER 8 44.572 30.502 5.635
54 HB3 SER 8 2HB SER 8 43.971 31.978 4.871
55 HG SER 8 HG SER 8 44.992 31.770 7.539
56 H GLY 9 H GLY 9 42.070 32.245 8.692
57 HA2 GLY 9 1HA GLY 9 40.257 34.465 7.667
58 HA3 GLY 9 2HA GLY 9 40.506 34.034 9.345
59 H TYR 10 H TYR 10 41.213 36.342 7.115
60 HA TYR 10 HA TYR 10 43.876 37.198 8.252
61 HB2 TYR 10 2HB TYR 10 43.999 38.877 6.603
62 HB3 TYR 10 1HB TYR 10 43.602 37.363 5.863
63 HD1 TYR 10 HD2 TYR 10 41.226 36.990 4.920
64 HD2 TYR 10 HD1 TYR 10 42.527 40.830 6.361
65 HE1 TYR 10 HE2 TYR 10 39.314 38.071 3.806
66 HE2 TYR 10 HE1 TYR 10 40.623 41.892 5.231
67 HH TYR 10 HH TYR 10 38.845 41.596 3.965
68 H GLU 11 H GLU 11 43.393 37.528 10.397
69 HA GLU 11 HA GLU 11 41.605 39.918 11.090
70 HB2 GLU 11 1HB GLU 11 41.351 39.138 13.281
71 HB3 GLU 11 2HB GLU 11 40.876 37.911 12.132
72 HG2 GLU 11 2HG GLU 11 43.008 36.601 12.640
73 HG3 GLU 11 1HG GLU 11 43.487 37.845 13.798
74 H VAL 12 H VAL 12 42.968 41.477 10.432
75 HA VAL 12 HA VAL 12 45.030 42.305 12.458
76 HB VAL 12 HB VAL 12 46.717 43.101 10.817
77 HG11 VAL 12 1HG2 VAL 12 46.511 40.033 10.903
78 HG12 VAL 12 2HG2 VAL 12 47.124 41.056 12.217
79 HG13 VAL 12 3HG2 VAL 12 47.988 40.998 10.667
80 HG21 VAL 12 1HG1 VAL 12 45.460 42.907 8.621
81 HG22 VAL 12 2HG1 VAL 12 47.031 42.092 8.592
82 HG23 VAL 12 3HG1 VAL 12 45.531 41.141 8.746
83 H HIS 13 H HIS 13 43.967 44.031 13.134
84 HA HIS 13 HA HIS 13 42.478 45.848 11.263
85 HB2 HIS 13 2HB HIS 13 42.826 45.923 14.321
86 HB3 HIS 13 1HB HIS 13 41.961 47.150 13.432
87 HD2 HIS 13 HD2 HIS 13 39.602 46.474 12.190
88 HE1 HIS 13 HE1 HIS 13 39.074 42.879 14.240
89 HE2 HIS 13 HE2 HIS 13 37.822 44.561 12.740
90 H HIS 14 H HIS 14 45.292 46.435 13.423
91 HA HIS 14 HA HIS 14 45.782 49.110 12.037
92 HB2 HIS 14 1HB HIS 14 47.212 47.820 14.443
93 HB3 HIS 14 2HB HIS 14 47.718 49.318 13.682
94 HD2 HIS 14 HD2 HIS 14 45.015 47.965 16.065
95 HE1 HIS 14 HE1 HIS 14 44.365 52.074 15.744
96 HE2 HIS 14 HE2 HIS 14 43.627 50.003 17.091
97 H GLN 15 H GLN 15 47.141 49.276 10.408
98 HA GLN 15 HA GLN 15 49.010 46.997 9.619
99 HB2 GLN 15 1HB GLN 15 47.335 47.960 8.018
100 HB3 GLN 15 2HB GLN 15 48.127 49.525 8.096
101 HG2 GLN 15 2HG GLN 15 50.193 48.563 7.058
102 HG3 GLN 15 1HG GLN 15 49.516 46.932 7.142
103 HE21 GLN 15 1HE2 GLN 15 50.260 47.360 4.808
104 HE22 GLN 15 2HE2 GLN 15 48.900 47.913 3.690
105 H LYS 16 H LYS 16 50.676 47.177 11.067
106 HA LYS 16 HA LYS 16 52.249 49.818 11.310
107 HB2 LYS 16 2HB LYS 16 52.345 47.275 13.025
108 HB3 LYS 16 1HB LYS 16 53.540 48.549 13.117
109 HG2 LYS 16 2HG LYS 16 51.789 50.242 13.758
110 HG3 LYS 16 1HG LYS 16 50.535 49.009 13.657
111 HD2 LYS 16 1HD LYS 16 51.760 47.669 15.500
112 HD3 LYS 16 2HD LYS 16 52.981 48.916 15.548
113 HE2 LYS 16 1HE LYS 16 51.655 49.451 17.415
114 HE3 LYS 16 2HE LYS 16 51.156 50.640 16.224
115 HZ1 LYS 16 2HZ LYS 16 49.665 48.072 16.826
116 HZ2 LYS 16 3HZ LYS 16 49.172 49.181 15.723
117 HZ3 LYS 16 1HZ LYS 16 49.188 49.564 17.320
118 H LEU 17 H LEU 17 52.604 49.427 9.025
119 HA LEU 17 HA LEU 17 55.358 48.443 8.486
120 HB2 LEU 17 1HB LEU 17 53.907 46.327 8.299
121 HB3 LEU 17 2HB LEU 17 53.069 47.023 6.938
122 HG LEU 17 HG LEU 17 56.140 46.642 6.960
123 HD11 LEU 17 2HD1 LEU 17 55.817 44.438 5.834
124 HD12 LEU 17 3HD1 LEU 17 54.051 44.575 5.995
125 HD13 LEU 17 1HD1 LEU 17 55.077 44.420 7.442
126 HD21 LEU 17 1HD2 LEU 17 55.929 46.522 4.462
127 HD22 LEU 17 2HD2 LEU 17 55.282 48.054 5.029
128 HD23 LEU 17 3HD2 LEU 17 54.169 46.754 4.562
129 H VAL 18 H VAL 18 56.137 49.935 7.056
130 HA VAL 18 HA VAL 18 54.394 52.037 5.946
131 HB VAL 18 HB VAL 18 56.626 52.477 6.829
132 HG11 VAL 18 1HG1 VAL 18 57.874 51.381 4.225
133 HG12 VAL 18 2HG1 VAL 18 58.712 52.196 5.563
134 HG13 VAL 18 3HG1 VAL 18 57.999 50.592 5.811
135 HG21 VAL 18 1HG2 VAL 18 56.320 53.485 3.937
136 HG22 VAL 18 2HG2 VAL 18 55.483 54.149 5.362
137 HG23 VAL 18 3HG2 VAL 18 57.247 54.249 5.250
138 H PHE 19 H PHE 19 52.917 51.219 4.591
139 HA PHE 19 HA PHE 19 53.500 49.376 2.373
140 HB2 PHE 19 1HB PHE 19 51.300 49.556 3.657
141 HB3 PHE 19 2HB PHE 19 50.951 51.044 2.825
142 HD1 PHE 19 HD1 PHE 19 51.268 47.347 2.437
143 HD2 PHE 19 HD2 PHE 19 50.319 51.007 0.385
144 HE1 PHE 19 HE1 PHE 19 50.222 46.064 0.615
145 HE2 PHE 19 HE2 PHE 19 49.307 49.705 -1.445
146 HZ PHE 19 HZ PHE 19 49.251 47.237 -1.330
147 H PHE 20 H PHE 20 54.571 49.958 0.611
148 HA PHE 20 HA PHE 20 54.515 52.798 -0.443
149 HB2 PHE 20 1HB PHE 20 56.373 52.220 -1.882
150 HB3 PHE 20 2HB PHE 20 56.712 51.986 -0.204
151 HD1 PHE 20 HD2 PHE 20 56.236 50.251 -3.455
152 HD2 PHE 20 HD1 PHE 20 57.217 49.717 0.692
153 HE1 PHE 20 HE2 PHE 20 57.075 47.989 -3.945
154 HE2 PHE 20 HE1 PHE 20 58.066 47.458 0.193
155 HZ PHE 20 HZ PHE 20 57.992 46.586 -2.123
156 H ALA 21 H ALA 21 52.860 53.263 -1.708
157 HA ALA 21 HA ALA 21 51.746 51.270 -3.734
158 HB1 ALA 21 1HB ALA 21 50.847 54.126 -3.009
159 HB2 ALA 21 2HB ALA 21 50.005 52.990 -4.086
160 HB3 ALA 21 3HB ALA 21 50.170 52.606 -2.361
161 H GLU 22 H GLU 22 54.057 51.295 -4.508
162 HA GLU 22 HA GLU 22 54.542 53.394 -6.697
163 HB2 GLU 22 1HB GLU 22 56.504 51.394 -5.397
164 HB3 GLU 22 2HB GLU 22 56.901 52.469 -6.716
165 HG2 GLU 22 1HG GLU 22 56.465 54.497 -5.252
166 HG3 GLU 22 2HG GLU 22 56.078 53.434 -3.901
167 H ASP 23 H ASP 23 54.716 52.766 -8.804
168 HA ASP 23 HA ASP 23 53.778 50.032 -9.629
169 HB2 ASP 23 2HB ASP 23 53.007 52.186 -10.711
170 HB3 ASP 23 1HB ASP 23 54.621 52.417 -11.380
171 H VAL 24 H VAL 24 55.422 48.805 -8.753
172 HA VAL 24 HA VAL 24 58.239 49.037 -9.737
173 HB VAL 24 HB VAL 24 57.683 48.575 -7.365
174 HG11 VAL 24 1HG1 VAL 24 55.858 46.834 -7.578
175 HG12 VAL 24 2HG1 VAL 24 57.056 45.653 -8.156
176 HG13 VAL 24 3HG1 VAL 24 57.173 46.318 -6.508
177 HG21 VAL 24 1HG2 VAL 24 59.540 46.427 -8.562
178 HG22 VAL 24 2HG2 VAL 24 59.559 47.061 -6.903
179 HG23 VAL 24 3HG2 VAL 24 59.984 48.126 -8.252
180 H GLY 25 H GLY 25 59.433 47.443 -10.792
181 HA2 GLY 25 1HA GLY 25 57.994 46.150 -13.106
182 HA3 GLY 25 2HA GLY 25 59.728 46.220 -12.893
183 H SER 26 H SER 26 57.192 44.160 -12.892
184 HA SER 26 HA SER 26 57.961 42.183 -10.882
185 HB2 SER 26 1HB SER 26 56.279 41.887 -13.462
186 HB3 SER 26 2HB SER 26 56.383 40.663 -12.194
187 HG SER 26 HG SER 26 54.587 42.080 -11.910
188 H ASN 27 H ASN 27 58.843 40.057 -11.147
189 HA ASN 27 HA ASN 27 61.302 39.944 -12.739
190 HB2 ASN 27 1HB ASN 27 60.869 38.855 -10.451
191 HB3 ASN 27 2HB ASN 27 59.937 37.617 -11.265
192 HD21 ASN 27 1HD2 ASN 27 63.181 38.872 -10.734
193 HD22 ASN 27 2HD2 ASN 27 63.986 37.372 -11.439
194 H LYS 28 H LYS 28 61.000 40.061 -14.870
195 HA LYS 28 HA LYS 28 59.048 38.366 -16.399
196 HB2 LYS 28 1HB LYS 28 61.224 40.298 -17.414
197 HB3 LYS 28 2HB LYS 28 60.035 39.534 -18.429
198 HG2 LYS 28 2HG LYS 28 59.380 41.584 -16.215
199 HG3 LYS 28 1HG LYS 28 59.623 41.958 -17.908
200 HD2 LYS 28 1HD LYS 28 57.627 40.505 -18.533
201 HD3 LYS 28 2HD LYS 28 57.358 40.161 -16.823
202 HE2 LYS 28 1HE LYS 28 57.030 42.655 -16.365
203 HE3 LYS 28 2HE LYS 28 57.329 43.017 -18.058
204 HZ1 LYS 28 2HZ LYS 28 54.896 42.814 -17.658
205 HZ2 LYS 28 3HZ LYS 28 55.060 41.280 -17.087
206 HZ3 LYS 28 1HZ LYS 28 55.361 41.607 -18.665
207 H GLY 29 H GLY 29 59.530 36.710 -17.798
208 HA2 GLY 29 1HA GLY 29 61.810 34.964 -17.198
209 HA3 GLY 29 2HA GLY 29 60.663 34.683 -18.484
210 H ALA 30 H ALA 30 61.053 36.106 -20.490
211 HA ALA 30 HA ALA 30 64.076 36.368 -21.068
212 HB1 ALA 30 1HB ALA 30 63.229 34.227 -21.995
213 HB2 ALA 30 2HB ALA 30 63.675 35.351 -23.297
214 HB3 ALA 30 3HB ALA 30 61.960 35.088 -22.910
215 H ILE 31 H ILE 31 63.489 38.548 -20.370
216 HA ILE 31 HA ILE 31 63.209 40.304 -22.804
217 HB ILE 31 HB ILE 31 61.493 40.952 -20.333
218 HG12 ILE 31 2HG1 ILE 31 60.330 40.418 -23.144
219 HG13 ILE 31 1HG1 ILE 31 60.494 39.137 -21.974
220 HG21 ILE 31 2HG2 ILE 31 62.460 43.008 -21.477
221 HG22 ILE 31 3HG2 ILE 31 61.738 42.497 -23.018
222 HG23 ILE 31 1HG2 ILE 31 60.703 42.951 -21.650
223 HD11 ILE 31 1HD1 ILE 31 58.741 41.598 -21.504
224 HD12 ILE 31 2HD1 ILE 31 58.219 39.942 -21.869
225 HD13 ILE 31 3HD1 ILE 31 59.027 40.286 -20.330
226 H ILE 32 H ILE 32 65.323 40.965 -22.629
227 HA ILE 32 HA ILE 32 66.238 42.238 -20.046
228 HB ILE 32 HB ILE 32 67.017 39.929 -19.877
229 HG12 ILE 32 1HG1 ILE 32 69.484 41.736 -20.173
230 HG13 ILE 32 2HG1 ILE 32 68.279 42.030 -18.936
231 HG21 ILE 32 3HG2 ILE 32 67.472 39.333 -22.280
232 HG22 ILE 32 1HG2 ILE 32 68.872 38.984 -21.254
233 HG23 ILE 32 2HG2 ILE 32 68.877 40.422 -22.303
234 HD11 ILE 32 1HD1 ILE 32 68.671 39.769 -17.911
235 HD12 ILE 32 2HD1 ILE 32 70.137 40.769 -17.966
236 HD13 ILE 32 3HD1 ILE 32 69.937 39.439 -19.125
237 H GLY 33 H GLY 33 67.600 43.876 -20.193
238 HA2 GLY 33 1HA GLY 33 69.047 44.719 -22.667
239 HA3 GLY 33 2HA GLY 33 67.591 45.679 -22.440
240 H LEU 34 H LEU 34 70.406 44.532 -20.583
241 HA LEU 34 HA LEU 34 70.721 47.310 -19.301
242 HB2 LEU 34 1HB LEU 34 69.607 45.578 -17.795
243 HB3 LEU 34 2HB LEU 34 71.038 44.586 -17.891
244 HG LEU 34 HG LEU 34 70.809 45.709 -15.773
245 HD11 LEU 34 2HD1 LEU 34 73.036 46.600 -15.386
246 HD12 LEU 34 3HD1 LEU 34 73.146 45.270 -16.554
247 HD13 LEU 34 1HD1 LEU 34 73.280 46.959 -17.103
248 HD21 LEU 34 1HD2 LEU 34 70.942 48.106 -15.353
249 HD22 LEU 34 2HD2 LEU 34 71.118 48.480 -17.080
250 HD23 LEU 34 3HD2 LEU 34 69.592 47.797 -16.458
251 H MET 35 H MET 35 72.656 48.115 -19.801
252 HA MET 35 HA MET 35 74.873 46.379 -20.931
253 HB2 MET 35 1HB MET 35 74.057 48.561 -22.014
254 HB3 MET 35 2HB MET 35 74.744 49.443 -20.657
255 HG2 MET 35 2HG MET 35 77.060 48.527 -21.296
256 HG3 MET 35 1HG MET 35 76.309 47.658 -22.655
257 HE1 MET 35 2HE MET 35 78.081 50.669 -24.465
258 HE2 MET 35 1HE MET 35 77.847 48.896 -24.435
259 HE3 MET 35 3HE MET 35 78.671 49.709 -23.073
260 H VAL 36 H VAL 36 76.357 45.572 -19.582
261 HA VAL 36 HA VAL 36 76.910 46.861 -16.845
262 HB VAL 36 HB VAL 36 77.592 44.027 -17.793
263 HG11 VAL 36 1HG2 VAL 36 79.266 44.869 -16.084
264 HG12 VAL 36 2HG2 VAL 36 78.268 43.565 -15.434
265 HG13 VAL 36 3HG2 VAL 36 77.940 45.249 -14.961
266 HG21 VAL 36 1HG1 VAL 36 75.896 43.227 -16.141
267 HG22 VAL 36 2HG1 VAL 36 75.487 44.901 -15.689
268 HG23 VAL 36 3HG1 VAL 36 75.118 44.292 -17.320
269 H GLY 37 H GLY 37 78.364 48.402 -17.256
270 HA2 GLY 37 1HA GLY 37 80.784 49.092 -17.528
271 HA3 GLY 37 2HA GLY 37 81.066 47.717 -18.565
272 H GLY 38 H GLY 38 79.638 50.895 -18.389
273 HA2 GLY 38 1HA GLY 38 80.436 51.769 -21.038
274 HA3 GLY 38 2HA GLY 38 78.810 51.127 -21.236
275 H VAL 39 H VAL 39 77.097 52.160 -20.189
276 HA VAL 39 HA VAL 39 77.556 54.740 -18.666
277 HB VAL 39 HB VAL 39 75.778 54.683 -21.178
278 HG11 VAL 39 1HG1 VAL 39 76.254 57.050 -19.232
279 HG12 VAL 39 2HG1 VAL 39 74.753 56.103 -19.345
280 HG13 VAL 39 3HG1 VAL 39 75.279 57.084 -20.720
281 HG21 VAL 39 1HG2 VAL 39 77.259 56.478 -22.109
282 HG22 VAL 39 2HG2 VAL 39 78.216 55.030 -21.784
283 HG23 VAL 39 3HG2 VAL 39 78.309 56.405 -20.669
284 H VAL 40 H VAL 40 76.633 54.036 -16.817
285 HA VAL 40 HA VAL 40 74.160 52.257 -16.892
286 HB VAL 40 HB VAL 40 76.166 51.364 -15.733
287 HG11 VAL 40 1HG2 VAL 40 76.855 52.083 -13.466
288 HG12 VAL 40 2HG2 VAL 40 75.683 53.425 -13.487
289 HG13 VAL 40 3HG2 VAL 40 77.072 53.446 -14.588
290 HG21 VAL 40 1HG1 VAL 40 73.876 50.520 -15.188
291 HG22 VAL 40 2HG1 VAL 40 73.742 51.710 -13.871
292 HG23 VAL 40 3HG1 VAL 40 74.968 50.418 -13.793
293 HCG9 23Y 101 HCG9 EVG 1 48.412 41.582 1.741
294 HCG3 23Y 101 HCG3 EVG 1 45.292 44.755 2.132
295 HCG7 23Y 101 HCG7 EVG 1 45.379 38.917 0.358
296 HCG4 23Y 101 HCG4 EVG 1 43.961 42.521 3.755
297 HCB1 23Y 101 HCB1 EVG 1 46.388 43.482 5.485
298 HCB2 23Y 101 HCB2 EVG 1 46.200 44.818 7.547
299 HOB3 23Y 101 HOB3 EVG 1 45.239 46.590 8.528
300 HCB4 23Y 101 HCB4 EVG 1 43.835 47.719 5.477
301 HCB5 23Y 101 HCB5 EVG 1 44.021 46.409 3.400
302 HCC1 23Y 101 HCC1 EVG 1 41.836 43.546 3.969
303 HOC2 23Y 101 HOC2 EVG 1 38.845 44.874 2.644
304 HCC3 23Y 101 HCC3 EVG 1 39.659 44.948 0.575
305 HOC4 23Y 101 HOC4 EVG 1 40.754 44.969 -1.359
306 HCC5 23Y 101 HCC5 EVG 1 43.710 43.677 0.096
307 HCD1 23Y 101 HCD1 EVG 1 42.426 40.913 1.807
308 HCD2 23Y 101 HCD2 EVG 1 43.270 38.482 0.210
309 HCE1 23Y 101 HCE1 EVG 1 37.952 39.804 1.355
310 HOE2 23Y 101 HOE2 EVG 1 36.564 38.230 0.629
311 HCE3 23Y 101 HCE3 EVG 1 39.200 36.255 -0.685
312 HCE4 23Y 101 HCE4 EVG 1 41.549 36.945 -0.474
313 HCE6 23Y 101 HCE6 EVG 1 40.269 40.534 1.547
314 HCF5 23Y 101 HCF5 EVG 1 51.778 40.553 0.359
315 HCF1 23Y 101 HCF1 EVG 1 49.622 39.228 1.450
316 HCF2 23Y 101 HCF2 EVG 1 48.942 37.374 -0.641
317 HOF2 23Y 101 HOF2 EVG 1 51.349 37.772 0.789
318 HCF3 23Y 101 HCF3 EVG 1 51.070 37.425 -2.052
319 HOF3 23Y 101 HOF3 EVG 1 50.067 38.960 -3.448
320 HCF4 23Y 101 HCF4 EVG 1 51.730 39.929 -2.571
321 HOF4 23Y 101 HOF4 EVG 1 52.796 38.647 -0.291
322 HF61 23Y 101 HF61 EVG 1 50.761 42.176 -2.047
323 HF62 23Y 101 HF62 EVG 1 50.977 42.789 -0.404
324 HCF6 23Y 101 HCF6 EVG 1 52.797 43.213 -1.738
325 HCG9 23Y 102 HCG9 EVG 2 58.174 50.796 -30.153
326 HCG3 23Y 102 HCG3 EVG 2 55.549 47.201 -30.746
327 HCG7 23Y 102 HCG7 EVG 2 59.537 49.100 -26.479
328 HCG4 23Y 102 HCG4 EVG 2 54.731 47.961 -27.895
329 HCB1 23Y 102 HCB1 EVG 2 53.600 50.232 -29.710
330 HCB2 23Y 102 HCB2 EVG 2 51.207 50.520 -30.198
331 HOB3 23Y 102 HOB3 EVG 2 49.347 49.557 -30.951
332 HCB4 23Y 102 HCB4 EVG 2 50.966 46.453 -31.520
333 HCB5 23Y 102 HCB5 EVG 2 53.362 46.144 -31.036
334 HCC1 23Y 102 HCC1 EVG 2 57.349 45.576 -29.361
335 HOC2 23Y 102 HOC2 EVG 2 58.141 43.507 -29.517
336 HCC3 23Y 102 HCC3 EVG 2 55.325 42.114 -27.889
337 HOC4 23Y 102 HOC4 EVG 2 53.353 42.470 -26.918
338 HCC5 23Y 102 HCC5 EVG 2 53.536 45.965 -27.405
339 HCD1 23Y 102 HCD1 EVG 2 56.586 46.661 -26.076
340 HCD2 23Y 102 HCD2 EVG 2 59.171 47.686 -24.883
341 HCE1 23Y 102 HCE1 EVG 2 55.990 43.711 -22.530
342 HOE2 23Y 102 HOE2 EVG 2 58.434 43.720 -19.952
343 HCE3 23Y 102 HCE3 EVG 2 59.592 45.309 -20.848
344 HCE4 23Y 102 HCE4 EVG 2 59.853 46.793 -22.768
345 HCE6 23Y 102 HCE6 EVG 2 56.224 45.186 -24.471
346 HCF5 23Y 102 HCF5 EVG 2 60.440 53.168 -31.497
347 HCF1 23Y 102 HCF1 EVG 2 59.764 52.669 -29.061
348 HCF2 23Y 102 HCF2 EVG 2 62.578 51.584 -28.437
349 HOF2 23Y 102 HOF2 EVG 2 62.560 53.487 -27.100
350 HCF3 23Y 102 HCF3 EVG 2 61.891 54.375 -29.544
351 HOF3 23Y 102 HOF3 EVG 2 64.357 53.000 -29.268
352 HCF4 23Y 102 HCF4 EVG 2 63.297 52.075 -31.051
353 HOF4 23Y 102 HOF4 EVG 2 62.350 54.656 -31.787
354 HF61 23Y 102 HF61 EVG 2 61.885 50.764 -32.766
355 HF62 23Y 102 HF62 EVG 2 61.607 52.317 -33.575
356 HCF6 23Y 102 HOF6 EVG 2 59.967 50.719 -33.991
Start of MODEL 10
1 H1 ASP 1 1H ASP 1 22.632 38.081 12.860
2 H2 ASP 1 2H ASP 1 22.593 38.969 11.490
3 H3 ASP 1 3H ASP 1 23.662 37.696 11.599
4 HA ASP 1 HA ASP 1 21.838 36.102 11.785
5 HB2 ASP 1 1HB ASP 1 20.078 38.632 11.560
6 HB3 ASP 1 2HB ASP 1 19.469 36.998 11.345
7 H ALA 2 H ALA 2 21.483 38.809 9.331
8 HA ALA 2 HA ALA 2 21.037 36.857 7.183
9 HB1 ALA 2 1HB ALA 2 21.000 38.864 5.716
10 HB2 ALA 2 2HB ALA 2 21.656 39.878 7.019
11 HB3 ALA 2 3HB ALA 2 20.040 39.133 7.180
12 H GLU 3 H GLU 3 24.011 38.797 7.862
13 HA GLU 3 HA GLU 3 25.476 37.398 5.624
14 HB2 GLU 3 1HB GLU 3 26.288 39.605 7.604
15 HB3 GLU 3 2HB GLU 3 27.494 38.768 6.650
16 HG2 GLU 3 2HG GLU 3 26.453 39.454 4.500
17 HG3 GLU 3 1HG GLU 3 25.127 40.254 5.347
18 H PHE 4 H PHE 4 27.054 35.972 5.807
19 HA PHE 4 HA PHE 4 27.110 34.187 8.211
20 HB2 PHE 4 1HB PHE 4 28.592 33.955 5.513
21 HB3 PHE 4 2HB PHE 4 28.625 32.747 6.760
22 HD1 PHE 4 HD2 PHE 4 26.610 31.322 7.255
23 HD2 PHE 4 HD1 PHE 4 26.508 34.282 4.135
24 HE1 PHE 4 HE2 PHE 4 24.573 30.290 6.326
25 HE2 PHE 4 HE1 PHE 4 24.469 33.249 3.230
26 HZ PHE 4 HZ PHE 4 23.501 31.251 4.316
27 H ARG 5 H ARG 5 28.644 34.131 9.737
28 HA ARG 5 HA ARG 5 31.070 35.976 9.588
29 HB2 ARG 5 1HB ARG 5 29.849 34.415 11.929
30 HB3 ARG 5 2HB ARG 5 31.363 35.265 12.055
31 HG2 ARG 5 1HG ARG 5 28.747 36.712 11.263
32 HG3 ARG 5 2HG ARG 5 29.223 36.434 12.929
33 HD2 ARG 5 2HD ARG 5 31.349 37.738 12.604
34 HD3 ARG 5 1HD ARG 5 30.970 38.041 10.926
35 HE ARG 5 HE ARG 5 29.471 39.139 13.379
36 HH11 ARG 5 2HH2 ARG 5 29.814 39.277 9.901
37 HH12 ARG 5 1HH2 ARG 5 28.811 40.797 9.803
38 HH21 ARG 5 1HH1 ARG 5 28.331 40.853 13.211
39 HH22 ARG 5 2HH1 ARG 5 28.020 41.623 11.591
40 H HIS 6 H HIS 6 32.927 35.174 8.932
41 HA HIS 6 HA HIS 6 33.472 32.194 8.805
42 HB2 HIS 6 1HB HIS 6 34.987 34.656 7.711
43 HB3 HIS 6 2HB HIS 6 35.629 33.039 7.613
44 HD2 HIS 6 HD2 HIS 6 34.432 31.235 5.945
45 HE1 HIS 6 HE1 HIS 6 32.095 34.016 3.891
46 HE2 HIS 6 HE2 HIS 6 32.920 31.573 3.770
47 H ASP 7 H ASP 7 34.557 31.180 10.374
48 HA ASP 7 HA ASP 7 35.903 32.622 12.583
49 HB2 ASP 7 1HB ASP 7 35.584 29.613 12.003
50 HB3 ASP 7 2HB ASP 7 36.400 30.243 13.422
51 H SER 8 H SER 8 37.286 30.426 10.094
52 HA SER 8 HA SER 8 40.100 31.190 10.965
53 HB2 SER 8 1HB SER 8 39.587 28.786 10.453
54 HB3 SER 8 2HB SER 8 39.201 29.215 8.783
55 HG SER 8 HG SER 8 41.710 29.650 10.093
56 H GLY 9 H GLY 9 41.123 32.850 10.068
57 HA2 GLY 9 1HA GLY 9 41.324 33.435 7.216
58 HA3 GLY 9 2HA GLY 9 40.064 34.480 7.886
59 H TYR 10 H TYR 10 41.546 36.042 7.019
60 HA TYR 10 HA TYR 10 44.003 36.722 8.710
61 HB2 TYR 10 2HB TYR 10 42.991 37.935 6.066
62 HB3 TYR 10 1HB TYR 10 44.311 38.580 6.997
63 HD1 TYR 10 HD2 TYR 10 46.515 37.432 7.139
64 HD2 TYR 10 HD1 TYR 10 43.293 35.721 4.862
65 HE1 TYR 10 HE2 TYR 10 48.097 35.916 6.027
66 HE2 TYR 10 HE1 TYR 10 44.893 34.210 3.751
67 HH TYR 10 HH TYR 10 48.350 34.276 4.538
68 H GLU 11 H GLU 11 43.580 37.856 10.454
69 HA GLU 11 HA GLU 11 41.530 40.157 10.413
70 HB2 GLU 11 1HB GLU 11 40.762 38.043 11.649
71 HB3 GLU 11 2HB GLU 11 42.104 38.253 12.757
72 HG2 GLU 11 1HG GLU 11 40.210 39.187 13.880
73 HG3 GLU 11 2HG GLU 11 41.086 40.612 13.345
74 H VAL 12 H VAL 12 43.146 41.589 9.889
75 HA VAL 12 HA VAL 12 45.109 42.299 12.123
76 HB VAL 12 HB VAL 12 46.340 41.005 10.448
77 HG11 VAL 12 1HG1 VAL 12 45.241 41.710 8.279
78 HG12 VAL 12 2HG1 VAL 12 46.007 43.306 8.420
79 HG13 VAL 12 3HG1 VAL 12 47.010 41.848 8.238
80 HG21 VAL 12 1HG2 VAL 12 47.517 42.675 11.890
81 HG22 VAL 12 2HG2 VAL 12 48.321 42.456 10.330
82 HG23 VAL 12 3HG2 VAL 12 47.337 43.916 10.627
83 H HIS 13 H HIS 13 43.797 43.878 12.876
84 HA HIS 13 HA HIS 13 42.544 45.886 11.109
85 HB2 HIS 13 2HB HIS 13 41.498 46.824 13.033
86 HB3 HIS 13 1HB HIS 13 41.378 45.092 13.085
87 HD2 HIS 13 HD2 HIS 13 42.992 48.077 14.966
88 HE1 HIS 13 HE1 HIS 13 43.526 44.731 17.397
89 HE2 HIS 13 HE2 HIS 13 43.826 47.292 17.379
90 H HIS 14 H HIS 14 45.208 46.294 13.462
91 HA HIS 14 HA HIS 14 45.742 49.088 12.397
92 HB2 HIS 14 2HB HIS 14 45.723 48.508 14.913
93 HB3 HIS 14 1HB HIS 14 47.192 47.588 14.668
94 HD2 HIS 14 HD2 HIS 14 45.819 51.229 14.714
95 HE1 HIS 14 HE1 HIS 14 49.979 51.534 14.705
96 HE2 HIS 14 HE2 HIS 14 47.841 52.952 14.966
97 H GLN 15 H GLN 15 47.173 49.415 10.830
98 HA GLN 15 HA GLN 15 48.978 47.211 9.786
99 HB2 GLN 15 1HB GLN 15 48.390 50.054 8.753
100 HB3 GLN 15 2HB GLN 15 49.600 49.010 8.039
101 HG2 GLN 15 1HG GLN 15 47.910 47.294 7.414
102 HG3 GLN 15 2HG GLN 15 46.625 48.190 8.205
103 HE21 GLN 15 1HE2 GLN 15 45.713 49.932 7.052
104 HE22 GLN 15 2HE2 GLN 15 46.276 50.349 5.347
105 H LYS 16 H LYS 16 51.007 47.009 10.497
106 HA LYS 16 HA LYS 16 52.460 49.295 11.908
107 HB2 LYS 16 2HB LYS 16 52.308 46.968 12.884
108 HB3 LYS 16 1HB LYS 16 53.300 46.367 11.559
109 HG2 LYS 16 2HG LYS 16 55.174 47.950 12.323
110 HG3 LYS 16 1HG LYS 16 54.141 48.504 13.643
111 HD2 LYS 16 1HD LYS 16 53.994 46.157 14.551
112 HD3 LYS 16 2HD LYS 16 54.997 45.541 13.260
113 HE2 LYS 16 1HE LYS 16 55.950 47.701 15.293
114 HE3 LYS 16 2HE LYS 16 56.101 45.977 15.591
115 HZ1 LYS 16 2HZ LYS 16 57.479 45.770 13.525
116 HZ2 LYS 16 3HZ LYS 16 58.176 46.848 14.550
117 HZ3 LYS 16 1HZ LYS 16 57.354 47.373 13.225
118 H LEU 17 H LEU 17 52.166 50.303 9.769
119 HA LEU 17 HA LEU 17 54.656 50.909 8.472
120 HB2 LEU 17 1HB LEU 17 54.358 50.175 6.127
121 HB3 LEU 17 2HB LEU 17 54.692 48.899 7.252
122 HG LEU 17 HG LEU 17 52.144 48.307 7.178
123 HD11 LEU 17 2HD1 LEU 17 52.275 49.991 4.568
124 HD12 LEU 17 3HD1 LEU 17 51.271 50.378 5.983
125 HD13 LEU 17 1HD1 LEU 17 50.945 48.915 5.055
126 HD21 LEU 17 1HD2 LEU 17 52.486 46.926 5.117
127 HD22 LEU 17 2HD2 LEU 17 53.865 47.936 4.627
128 HD23 LEU 17 3HD2 LEU 17 53.963 46.936 6.094
129 H VAL 18 H VAL 18 54.418 52.805 7.168
130 HA VAL 18 HA VAL 18 52.091 54.435 7.838
131 HB VAL 18 HB VAL 18 52.922 56.174 6.261
132 HG11 VAL 18 1HG2 VAL 18 53.501 56.189 8.696
133 HG12 VAL 18 2HG2 VAL 18 54.987 55.270 8.356
134 HG13 VAL 18 3HG2 VAL 18 54.771 56.908 7.694
135 HG21 VAL 18 1HG1 VAL 18 55.458 54.450 5.892
136 HG22 VAL 18 2HG1 VAL 18 55.189 56.113 5.316
137 HG23 VAL 18 3HG1 VAL 18 54.259 54.772 4.624
138 H PHE 19 H PHE 19 50.252 53.606 7.218
139 HA PHE 19 HA PHE 19 49.536 52.540 4.705
140 HB2 PHE 19 1HB PHE 19 47.266 52.451 5.496
141 HB3 PHE 19 2HB PHE 19 48.363 52.008 6.760
142 HD1 PHE 19 HD1 PHE 19 48.692 53.575 8.765
143 HD2 PHE 19 HD2 PHE 19 45.762 54.406 5.726
144 HE1 PHE 19 HE1 PHE 19 47.579 55.178 10.264
145 HE2 PHE 19 HE2 PHE 19 44.648 55.990 7.247
146 HZ PHE 19 HZ PHE 19 45.555 56.383 9.512
147 H PHE 20 H PHE 20 48.721 53.213 2.836
148 HA PHE 20 HA PHE 20 47.603 56.034 2.500
149 HB2 PHE 20 2HB PHE 20 49.784 54.859 0.655
150 HB3 PHE 20 1HB PHE 20 48.823 56.261 0.282
151 HD1 PHE 20 HD1 PHE 20 49.141 58.437 1.477
152 HD2 PHE 20 HD2 PHE 20 51.613 55.032 2.350
153 HE1 PHE 20 HE1 PHE 20 50.767 59.899 2.617
154 HE2 PHE 20 HE2 PHE 20 53.230 56.503 3.476
155 HZ PHE 20 HZ PHE 20 52.812 58.933 3.623
156 H ALA 21 H ALA 21 45.632 55.742 1.699
157 HA ALA 21 HA ALA 21 44.872 53.263 0.116
158 HB1 ALA 21 1HB ALA 21 42.562 54.115 0.400
159 HB2 ALA 21 2HB ALA 21 43.405 54.036 1.960
160 HB3 ALA 21 3HB ALA 21 43.164 55.610 1.150
161 H GLU 22 H GLU 22 46.360 53.797 -1.588
162 HA GLU 22 HA GLU 22 44.978 55.267 -3.822
163 HB2 GLU 22 1HB GLU 22 46.893 56.567 -4.560
164 HB3 GLU 22 2HB GLU 22 46.342 57.064 -2.977
165 HG2 GLU 22 1HG GLU 22 48.343 55.889 -1.917
166 HG3 GLU 22 2HG GLU 22 48.894 55.395 -3.512
167 H ASP 23 H ASP 23 45.340 54.441 -5.819
168 HA ASP 23 HA ASP 23 46.565 51.685 -5.957
169 HB2 ASP 23 2HB ASP 23 44.278 52.220 -6.895
170 HB3 ASP 23 1HB ASP 23 45.027 53.229 -8.125
171 H VAL 24 H VAL 24 48.699 52.113 -5.743
172 HA VAL 24 HA VAL 24 50.147 53.172 -8.215
173 HB VAL 24 HB VAL 24 50.078 54.992 -6.574
174 HG11 VAL 24 1HG1 VAL 24 51.987 53.420 -4.727
175 HG12 VAL 24 2HG1 VAL 24 51.409 55.095 -4.531
176 HG13 VAL 24 3HG1 VAL 24 50.273 53.740 -4.380
177 HG21 VAL 24 1HG2 VAL 24 52.429 55.684 -6.792
178 HG22 VAL 24 2HG2 VAL 24 51.918 54.861 -8.274
179 HG23 VAL 24 3HG2 VAL 24 52.954 54.011 -7.099
180 H GLY 25 H GLY 25 50.499 51.181 -8.934
181 HA2 GLY 25 1HA GLY 25 52.054 49.131 -7.214
182 HA3 GLY 25 2HA GLY 25 51.035 48.742 -8.577
183 H SER 26 H SER 26 54.078 50.187 -7.655
184 HA SER 26 HA SER 26 55.264 49.561 -10.441
185 HB2 SER 26 1HB SER 26 55.778 52.094 -8.753
186 HB3 SER 26 2HB SER 26 56.608 51.679 -10.251
187 HG SER 26 HG SER 26 53.784 51.919 -10.027
188 H ASN 27 H ASN 27 55.409 48.056 -7.894
189 HA ASN 27 HA ASN 27 58.232 47.195 -8.219
190 HB2 ASN 27 1HB ASN 27 58.464 49.044 -6.459
191 HB3 ASN 27 2HB ASN 27 57.422 48.145 -5.378
192 HD21 ASN 27 2HD2 ASN 27 58.336 46.192 -4.427
193 HD22 ASN 27 1HD2 ASN 27 60.162 45.934 -4.512
194 H LYS 28 H LYS 28 57.248 45.326 -8.942
195 HA LYS 28 HA LYS 28 56.083 43.477 -6.917
196 HB2 LYS 28 2HB LYS 28 53.983 42.929 -8.058
197 HB3 LYS 28 1HB LYS 28 54.025 44.559 -7.435
198 HG2 LYS 28 2HG LYS 28 54.476 45.401 -9.846
199 HG3 LYS 28 1HG LYS 28 54.258 43.744 -10.409
200 HD2 LYS 28 1HD LYS 28 51.912 43.725 -9.386
201 HD3 LYS 28 2HD LYS 28 52.150 45.381 -8.825
202 HE2 LYS 28 2HE LYS 28 52.431 46.166 -11.247
203 HE3 LYS 28 1HE LYS 28 52.183 44.508 -11.802
204 HZ1 LYS 28 2HZ LYS 28 50.041 45.768 -11.831
205 HZ2 LYS 28 3HZ LYS 28 49.920 44.552 -10.731
206 HZ3 LYS 28 1HZ LYS 28 50.146 46.095 -10.226
207 H GLY 29 H GLY 29 56.392 41.380 -7.361
208 HA2 GLY 29 1HA GLY 29 58.357 40.651 -9.521
209 HA3 GLY 29 2HA GLY 29 57.724 39.573 -8.300
210 H ALA 30 H ALA 30 56.908 41.153 -11.310
211 HA ALA 30 HA ALA 30 54.536 39.562 -11.910
212 HB1 ALA 30 1HB ALA 30 54.938 41.845 -12.833
213 HB2 ALA 30 2HB ALA 30 56.323 41.246 -13.786
214 HB3 ALA 30 3HB ALA 30 54.677 40.688 -14.154
215 H ILE 31 H ILE 31 54.216 37.686 -12.940
216 HA ILE 31 HA ILE 31 56.591 36.078 -13.937
217 HB ILE 31 HB ILE 31 55.092 34.172 -14.211
218 HG12 ILE 31 1HG1 ILE 31 52.929 35.405 -12.428
219 HG13 ILE 31 2HG1 ILE 31 52.840 35.696 -14.146
220 HG21 ILE 31 2HG2 ILE 31 55.034 33.554 -11.800
221 HG22 ILE 31 3HG2 ILE 31 56.527 34.426 -12.190
222 HG23 ILE 31 1HG2 ILE 31 55.216 35.261 -11.331
223 HD11 ILE 31 1HD1 ILE 31 52.843 33.220 -14.642
224 HD12 ILE 31 2HD1 ILE 31 52.886 32.873 -12.893
225 HD13 ILE 31 3HD1 ILE 31 51.486 33.710 -13.606
226 H ILE 32 H ILE 32 57.202 36.320 -15.957
227 HA ILE 32 HA ILE 32 55.321 37.392 -18.041
228 HB ILE 32 HB ILE 32 57.556 38.388 -17.805
229 HG12 ILE 32 2HG1 ILE 32 58.222 38.430 -20.269
230 HG13 ILE 32 1HG1 ILE 32 57.027 37.201 -20.592
231 HG21 ILE 32 3HG2 ILE 32 58.976 36.338 -17.367
232 HG22 ILE 32 1HG2 ILE 32 58.773 35.843 -19.062
233 HG23 ILE 32 2HG2 ILE 32 59.622 37.356 -18.662
234 HD11 ILE 32 1HD1 ILE 32 56.210 39.529 -21.124
235 HD12 ILE 32 2HD1 ILE 32 55.190 38.844 -19.847
236 HD13 ILE 32 3HD1 ILE 32 56.454 40.038 -19.447
237 H GLY 33 H GLY 33 54.639 36.399 -19.835
238 HA2 GLY 33 1HA GLY 33 55.414 33.688 -20.782
239 HA3 GLY 33 2HA GLY 33 53.973 33.575 -19.780
240 H LEU 34 H LEU 34 55.293 35.107 -22.678
241 HA LEU 34 HA LEU 34 52.693 36.148 -23.665
242 HB2 LEU 34 2HB LEU 34 55.320 35.675 -25.211
243 HB3 LEU 34 1HB LEU 34 53.909 36.439 -25.878
244 HG LEU 34 HG LEU 34 55.523 38.076 -25.487
245 HD11 LEU 34 1HD2 LEU 34 53.377 38.581 -23.335
246 HD12 LEU 34 2HD2 LEU 34 53.156 38.817 -25.089
247 HD13 LEU 34 3HD2 LEU 34 54.345 39.789 -24.209
248 HD21 LEU 34 2HD1 LEU 34 55.628 37.496 -22.478
249 HD22 LEU 34 3HD1 LEU 34 56.870 37.005 -23.661
250 HD23 LEU 34 1HD1 LEU 34 56.546 38.724 -23.378
251 H MET 35 H MET 35 51.261 35.251 -25.075
252 HA MET 35 HA MET 35 51.540 32.298 -25.822
253 HB2 MET 35 2HB MET 35 49.087 34.158 -25.807
254 HB3 MET 35 1HB MET 35 49.091 32.583 -26.571
255 HG2 MET 35 2HG MET 35 48.095 32.342 -24.374
256 HG3 MET 35 1HG MET 35 49.616 31.437 -24.398
257 HE1 MET 35 2HE MET 35 49.709 31.334 -21.756
258 HE2 MET 35 1HE MET 35 48.110 32.133 -21.771
259 HE3 MET 35 3HE MET 35 49.417 32.757 -20.713
260 H VAL 36 H VAL 36 52.368 31.906 -27.738
261 HA VAL 36 HA VAL 36 51.536 33.497 -30.201
262 HB VAL 36 HB VAL 36 54.482 32.870 -29.581
263 HG11 VAL 36 1HG1 VAL 36 53.971 32.589 -32.050
264 HG12 VAL 36 2HG1 VAL 36 55.033 33.971 -31.752
265 HG13 VAL 36 3HG1 VAL 36 53.310 34.241 -32.106
266 HG21 VAL 36 1HG2 VAL 36 53.151 35.649 -29.936
267 HG22 VAL 36 2HG2 VAL 36 53.717 34.973 -28.396
268 HG23 VAL 36 3HG2 VAL 36 54.887 35.339 -29.670
269 H GLY 37 H GLY 37 50.347 31.888 -31.024
270 HA2 GLY 37 1HA GLY 37 51.157 28.958 -30.798
271 HA3 GLY 37 2HA GLY 37 49.625 29.542 -31.397
272 H GLY 38 H GLY 38 49.507 30.285 -33.588
273 HA2 GLY 38 1HA GLY 38 51.699 30.448 -35.469
274 HA3 GLY 38 2HA GLY 38 51.147 28.770 -35.522
275 H VAL 39 H VAL 39 51.058 29.907 -37.761
276 HA VAL 39 HA VAL 39 48.227 30.912 -38.337
277 HB VAL 39 HB VAL 39 48.914 31.365 -40.643
278 HG11 VAL 39 1HG1 VAL 39 50.538 32.995 -38.592
279 HG12 VAL 39 2HG1 VAL 39 50.000 33.536 -40.201
280 HG13 VAL 39 3HG1 VAL 39 48.805 33.202 -38.934
281 HG21 VAL 39 1HG2 VAL 39 51.006 29.976 -40.912
282 HG22 VAL 39 2HG2 VAL 39 51.872 31.066 -39.803
283 HG23 VAL 39 3HG2 VAL 39 51.251 31.670 -41.357
284 H VAL 40 H VAL 40 46.810 29.348 -38.650
285 HA VAL 40 HA VAL 40 47.680 26.663 -39.808
286 HB VAL 40 HB VAL 40 46.673 26.629 -37.536
287 HG11 VAL 40 1HG1 VAL 40 44.847 28.379 -37.749
288 HG12 VAL 40 2HG1 VAL 40 43.953 27.295 -38.830
289 HG13 VAL 40 3HG1 VAL 40 44.240 26.825 -37.135
290 HG21 VAL 40 1HG2 VAL 40 45.053 25.053 -39.623
291 HG22 VAL 40 2HG2 VAL 40 45.265 24.633 -37.903
292 HG23 VAL 40 3HG2 VAL 40 46.658 24.602 -39.003
293 HCG9 23Y 101 HCG9 EVG 1 51.301 42.310 -0.135
294 HCG3 23Y 101 HCG3 EVG 1 48.139 43.578 2.781
295 HCG7 23Y 101 HCG7 EVG 1 48.747 39.140 -1.440
296 HCG4 23Y 101 HCG4 EVG 1 48.327 40.599 3.467
297 HCB1 23Y 101 HCB1 EVG 1 47.390 44.037 5.057
298 HCB2 23Y 101 HCB2 EVG 1 48.020 44.382 7.404
299 HOB3 23Y 101 HOB3 EVG 1 49.511 43.962 8.993
300 HCB4 23Y 101 HCB4 EVG 1 51.635 42.172 6.784
301 HCB5 23Y 101 HCB5 EVG 1 51.027 41.828 4.418
302 HCC1 23Y 101 HCC1 EVG 1 46.093 42.646 1.108
303 HOC2 23Y 101 HOC2 EVG 1 42.589 42.956 1.499
304 HCC3 23Y 101 HCC3 EVG 1 42.595 41.883 3.449
305 HOC4 23Y 101 HOC4 EVG 1 44.512 40.257 5.934
306 HCC5 23Y 101 HCC5 EVG 1 46.395 40.519 4.836
307 HCD1 23Y 101 HCD1 EVG 1 46.505 39.190 1.696
308 HCD2 23Y 101 HCD2 EVG 1 47.010 37.880 -0.981
309 HCE1 23Y 101 HCE1 EVG 1 42.850 36.450 2.503
310 HOE2 23Y 101 HOE2 EVG 1 41.668 34.748 1.675
311 HCE3 23Y 101 HCE3 EVG 1 43.683 34.536 -1.232
312 HCE4 23Y 101 HCE4 EVG 1 45.580 36.049 -1.601
313 HCE6 23Y 101 HCE6 EVG 1 44.735 37.963 2.177
314 HCF5 23Y 101 HCF5 EVG 1 49.846 37.570 -4.438
315 HCF1 23Y 101 HCF1 EVG 1 49.833 40.037 -3.687
316 HCF2 23Y 101 HCF2 EVG 1 52.918 40.068 -3.595
317 HOF2 23Y 101 HOF2 EVG 1 51.868 42.055 -3.923
318 HCF3 23Y 101 HCF3 EVG 1 51.175 39.332 -6.013
319 HOF3 23Y 101 HOF3 EVG 1 53.261 38.724 -6.781
320 HCF4 23Y 101 HCF4 EVG 1 52.923 37.411 -4.359
321 HOF4 23Y 101 HOF4 EVG 1 52.637 36.783 -6.482
322 HF61 23Y 101 HF61 EVG 1 50.706 35.250 -4.039
323 HF62 23Y 101 HF62 EVG 1 49.830 35.914 -2.658
324 HCF6 23Y 101 HCF6 EVG 1 52.667 35.949 -2.922
325 HCG9 23Y 102 HCG9 EVG 2 43.137 34.844 -14.797
326 HCG3 23Y 102 HCG3 EVG 2 45.128 37.858 -17.452
327 HCG7 23Y 102 HCG7 EVG 2 45.783 35.990 -11.649
328 HCG4 23Y 102 HCG4 EVG 2 47.600 36.354 -16.443
329 HCB1 23Y 102 HCB1 EVG 2 46.115 34.348 -18.311
330 HCB2 23Y 102 HCB2 EVG 2 46.907 33.689 -20.534
331 HOB3 23Y 102 HOB3 EVG 2 47.636 34.392 -22.526
332 HCB4 23Y 102 HCB4 EVG 2 47.205 37.806 -21.679
333 HCB5 23Y 102 HCB5 EVG 2 46.391 38.488 -19.455
334 HCC1 23Y 102 HCC1 EVG 2 45.741 39.509 -15.281
335 HOC2 23Y 102 HOC2 EVG 2 47.163 42.749 -15.311
336 HCC3 23Y 102 HCC3 EVG 2 49.031 42.047 -16.298
337 HOC4 23Y 102 HOC4 EVG 2 50.813 39.338 -17.716
338 HCC5 23Y 102 HCC5 EVG 2 49.211 37.889 -17.244
339 HCD1 23Y 102 HCD1 EVG 2 48.403 37.632 -13.937
340 HCD2 23Y 102 HCD2 EVG 2 47.636 36.942 -11.091
341 HCE1 23Y 102 HCE1 EVG 2 52.287 39.725 -12.502
342 HOE2 23Y 102 HOE2 EVG 2 53.084 39.712 -9.047
343 HCE3 23Y 102 HCE3 EVG 2 51.200 38.609 -8.508
344 HCE4 23Y 102 HCE4 EVG 2 49.171 37.538 -9.346
345 HCE6 23Y 102 HCE6 EVG 2 50.274 38.652 -13.368
346 HCF5 23Y 102 HCF5 EVG 2 39.791 33.819 -13.254
347 HCF1 23Y 102 HCF1 EVG 2 42.468 33.290 -12.824
348 HCF2 23Y 102 HCF2 EVG 2 42.725 33.918 -10.046
349 HOF2 23Y 102 HOF2 EVG 2 40.986 32.156 -11.405
350 HCF3 23Y 102 HCF3 EVG 2 40.271 34.035 -9.305
351 HOF3 23Y 102 HOF3 EVG 2 41.814 35.742 -9.262
352 HCF4 23Y 102 HCF4 EVG 2 38.929 35.573 -10.964
353 HOF4 23Y 102 HOF4 EVG 2 39.064 32.769 -11.330
354 HF61 23Y 102 HF61 EVG 2 39.392 36.864 -13.045
355 HF62 23Y 102 HF62 EVG 2 38.109 35.714 -13.445
356 HCF6 23Y 102 HOF6 EVG 2 39.489 35.040 -15.241
Start of MODEL 11
1 H1 ASP 1 1H ASP 1 28.860 36.642 -14.473
2 H2 ASP 1 2H ASP 1 28.286 38.102 -13.930
3 H3 ASP 1 3H ASP 1 27.235 36.883 -14.401
4 HA ASP 1 HA ASP 1 27.276 37.016 -11.983
5 HB2 ASP 1 1HB ASP 1 28.446 34.473 -13.313
6 HB3 ASP 1 2HB ASP 1 27.898 34.533 -11.645
7 H ALA 2 H ALA 2 28.468 37.632 -10.282
8 HA ALA 2 HA ALA 2 31.475 37.878 -10.499
9 HB1 ALA 2 1HB ALA 2 30.144 39.831 -9.695
10 HB2 ALA 2 2HB ALA 2 29.495 38.865 -8.339
11 HB3 ALA 2 3HB ALA 2 31.228 39.243 -8.418
12 H GLU 3 H GLU 3 32.856 36.573 -9.509
13 HA GLU 3 HA GLU 3 31.897 34.302 -7.733
14 HB2 GLU 3 1HB GLU 3 33.348 33.948 -9.814
15 HB3 GLU 3 2HB GLU 3 34.662 34.779 -8.990
16 HG2 GLU 3 1HG GLU 3 34.573 32.952 -7.154
17 HG3 GLU 3 2HG GLU 3 33.292 32.147 -8.071
18 H PHE 4 H PHE 4 31.874 34.735 -5.632
19 HA PHE 4 HA PHE 4 33.640 36.875 -4.382
20 HB2 PHE 4 2HB PHE 4 31.279 35.283 -3.213
21 HB3 PHE 4 1HB PHE 4 32.257 36.372 -2.278
22 HD1 PHE 4 HD2 PHE 4 32.151 38.849 -2.599
23 HD2 PHE 4 HD1 PHE 4 29.705 36.219 -4.969
24 HE1 PHE 4 HE2 PHE 4 30.740 40.752 -3.273
25 HE2 PHE 4 HE1 PHE 4 28.306 38.129 -5.631
26 HZ PHE 4 HZ PHE 4 28.817 40.398 -4.786
27 H ARG 5 H ARG 5 35.503 36.355 -3.502
28 HA ARG 5 HA ARG 5 36.213 33.472 -2.853
29 HB2 ARG 5 2HB ARG 5 37.692 34.983 -4.303
30 HB3 ARG 5 1HB ARG 5 38.052 35.936 -2.868
31 HG2 ARG 5 1HG ARG 5 38.989 33.763 -1.770
32 HG3 ARG 5 2HG ARG 5 38.628 32.920 -3.266
33 HD2 ARG 5 1HD ARG 5 40.932 33.388 -3.533
34 HD3 ARG 5 2HD ARG 5 40.176 34.613 -4.503
35 HE ARG 5 HE ARG 5 40.742 36.358 -2.871
36 HH11 ARG 5 2HH1 ARG 5 41.841 33.244 -1.736
37 HH12 ARG 5 1HH1 ARG 5 42.972 34.021 -0.527
38 HH21 ARG 5 2HH2 ARG 5 41.989 37.172 -1.448
39 HH22 ARG 5 1HH2 ARG 5 43.030 36.132 -0.379
40 H HIS 6 H HIS 6 35.866 32.794 -0.853
41 HA HIS 6 HA HIS 6 35.538 34.690 1.496
42 HB2 HIS 6 1HB HIS 6 35.068 31.652 1.197
43 HB3 HIS 6 2HB HIS 6 34.934 32.493 2.719
44 HD2 HIS 6 HD2 HIS 6 33.034 32.069 -0.621
45 HE1 HIS 6 HE1 HIS 6 30.574 34.315 1.892
46 HE2 HIS 6 HE2 HIS 6 30.571 33.064 -0.366
47 H ASP 7 H ASP 7 37.156 35.118 2.894
48 HA ASP 7 HA ASP 7 39.754 33.654 2.708
49 HB2 ASP 7 1HB ASP 7 40.702 35.375 4.112
50 HB3 ASP 7 2HB ASP 7 39.846 36.063 2.751
51 H SER 8 H SER 8 40.543 32.213 4.063
52 HA SER 8 HA SER 8 38.874 30.892 6.065
53 HB2 SER 8 2HB SER 8 41.875 30.520 5.456
54 HB3 SER 8 1HB SER 8 40.897 29.434 6.447
55 HG SER 8 HG SER 8 40.995 28.732 4.281
56 H GLY 9 H GLY 9 41.324 33.328 6.590
57 HA2 GLY 9 1HA GLY 9 40.577 33.789 9.367
58 HA3 GLY 9 2HA GLY 9 42.027 32.791 9.421
59 H TYR 10 H TYR 10 40.721 35.860 8.314
60 HA TYR 10 HA TYR 10 43.545 37.080 8.387
61 HB2 TYR 10 1HB TYR 10 42.556 36.780 6.042
62 HB3 TYR 10 2HB TYR 10 41.256 37.851 6.474
63 HD1 TYR 10 HD1 TYR 10 44.900 37.624 5.725
64 HD2 TYR 10 HD2 TYR 10 41.703 40.312 6.758
65 HE1 TYR 10 HE1 TYR 10 46.293 39.550 5.072
66 HE2 TYR 10 HE2 TYR 10 43.102 42.222 6.089
67 HH TYR 10 HH TYR 10 45.068 42.872 5.275
68 H GLU 11 H GLU 11 43.561 38.063 10.283
69 HA GLU 11 HA GLU 11 41.440 40.168 10.951
70 HB2 GLU 11 1HB GLU 11 42.456 38.022 12.912
71 HB3 GLU 11 2HB GLU 11 41.732 39.532 13.430
72 HG2 GLU 11 1HG GLU 11 39.563 38.967 12.274
73 HG3 GLU 11 2HG GLU 11 40.248 37.448 11.704
74 H VAL 12 H VAL 12 42.845 41.691 10.212
75 HA VAL 12 HA VAL 12 45.056 42.462 12.125
76 HB VAL 12 HB VAL 12 46.630 43.212 10.360
77 HG11 VAL 12 1HG2 VAL 12 46.304 40.151 10.448
78 HG12 VAL 12 2HG2 VAL 12 47.074 41.135 11.708
79 HG13 VAL 12 3HG2 VAL 12 47.796 41.051 10.088
80 HG21 VAL 12 1HG1 VAL 12 46.720 42.177 8.110
81 HG22 VAL 12 2HG1 VAL 12 45.188 41.322 8.399
82 HG23 VAL 12 3HG1 VAL 12 45.216 43.095 8.267
83 H HIS 13 H HIS 13 44.023 44.149 12.914
84 HA HIS 13 HA HIS 13 42.473 46.047 11.156
85 HB2 HIS 13 1HB HIS 13 41.622 45.163 13.381
86 HB3 HIS 13 2HB HIS 13 42.848 46.099 14.211
87 HD2 HIS 13 HD2 HIS 13 39.558 46.502 12.157
88 HE1 HIS 13 HE1 HIS 13 40.315 50.196 13.945
89 HE2 HIS 13 HE2 HIS 13 38.523 48.925 12.591
90 H HIS 14 H HIS 14 45.194 46.576 13.467
91 HA HIS 14 HA HIS 14 45.827 49.221 12.084
92 HB2 HIS 14 2HB HIS 14 47.017 47.967 14.638
93 HB3 HIS 14 1HB HIS 14 47.609 49.438 13.905
94 HD2 HIS 14 HD2 HIS 14 44.636 48.144 15.988
95 HE1 HIS 14 HE1 HIS 14 44.150 52.272 15.652
96 HE2 HIS 14 HE2 HIS 14 43.201 50.207 16.875
97 H GLN 15 H GLN 15 47.279 49.307 10.530
98 HA GLN 15 HA GLN 15 49.185 47.009 9.947
99 HB2 GLN 15 1HB GLN 15 48.490 49.549 8.334
100 HB3 GLN 15 2HB GLN 15 49.769 48.447 7.899
101 HG2 GLN 15 2HG GLN 15 48.003 47.788 6.502
102 HG3 GLN 15 1HG GLN 15 48.105 46.529 7.705
103 HE21 GLN 15 1HE2 GLN 15 46.128 49.204 6.546
104 HE22 GLN 15 2HE2 GLN 15 44.658 48.682 7.529
105 H LYS 16 H LYS 16 51.131 47.059 10.921
106 HA LYS 16 HA LYS 16 52.497 49.720 11.648
107 HB2 LYS 16 2HB LYS 16 53.120 46.848 12.515
108 HB3 LYS 16 1HB LYS 16 54.195 48.197 12.802
109 HG2 LYS 16 1HG LYS 16 52.437 49.406 14.144
110 HG3 LYS 16 2HG LYS 16 51.297 48.093 13.862
111 HD2 LYS 16 1HD LYS 16 52.844 46.466 15.003
112 HD3 LYS 16 2HD LYS 16 54.027 47.716 15.303
113 HE2 LYS 16 2HE LYS 16 51.119 47.808 16.420
114 HE3 LYS 16 1HE LYS 16 52.433 46.995 17.254
115 HZ1 LYS 16 2HZ LYS 16 53.681 49.151 17.331
116 HZ2 LYS 16 3HZ LYS 16 52.463 49.935 16.567
117 HZ3 LYS 16 1HZ LYS 16 52.227 49.319 18.073
118 H LEU 17 H LEU 17 52.457 49.999 9.321
119 HA LEU 17 HA LEU 17 55.072 50.032 8.167
120 HB2 LEU 17 1HB LEU 17 54.947 48.589 6.156
121 HB3 LEU 17 2HB LEU 17 55.095 47.743 7.660
122 HG LEU 17 HG LEU 17 52.523 47.254 7.511
123 HD11 LEU 17 1HD2 LEU 17 51.924 48.829 5.605
124 HD12 LEU 17 2HD2 LEU 17 51.582 47.148 5.184
125 HD13 LEU 17 3HD2 LEU 17 53.025 47.949 4.523
126 HD21 LEU 17 2HD1 LEU 17 54.332 45.534 7.163
127 HD22 LEU 17 3HD1 LEU 17 52.962 45.245 6.078
128 HD23 LEU 17 1HD1 LEU 17 54.453 45.981 5.446
129 H VAL 18 H VAL 18 55.116 51.400 6.342
130 HA VAL 18 HA VAL 18 52.762 53.169 6.093
131 HB VAL 18 HB VAL 18 55.015 54.034 6.175
132 HG11 VAL 18 1HG1 VAL 18 56.566 54.136 4.271
133 HG12 VAL 18 2HG1 VAL 18 56.282 52.431 4.665
134 HG13 VAL 18 3HG1 VAL 18 55.485 53.158 3.252
135 HG21 VAL 18 1HG2 VAL 18 54.740 55.875 4.577
136 HG22 VAL 18 2HG2 VAL 18 53.162 55.448 5.257
137 HG23 VAL 18 3HG2 VAL 18 53.583 54.937 3.603
138 H PHE 19 H PHE 19 51.107 51.978 5.373
139 HA PHE 19 HA PHE 19 51.128 50.376 2.907
140 HB2 PHE 19 2HB PHE 19 49.690 49.990 5.009
141 HB3 PHE 19 1HB PHE 19 48.686 51.333 4.532
142 HD1 PHE 19 HD1 PHE 19 49.662 47.832 3.754
143 HD2 PHE 19 HD2 PHE 19 47.147 51.102 2.526
144 HE1 PHE 19 HE1 PHE 19 48.357 46.310 2.330
145 HE2 PHE 19 HE2 PHE 19 45.829 49.550 1.136
146 HZ PHE 19 HZ PHE 19 46.432 47.156 1.040
147 H PHE 20 H PHE 20 50.833 51.030 0.889
148 HA PHE 20 HA PHE 20 49.828 53.849 0.248
149 HB2 PHE 20 2HB PHE 20 51.275 51.812 -1.556
150 HB3 PHE 20 1HB PHE 20 50.661 53.348 -2.087
151 HD1 PHE 20 HD1 PHE 20 51.747 55.501 -1.435
152 HD2 PHE 20 HD2 PHE 20 53.326 51.734 -0.086
153 HE1 PHE 20 HE1 PHE 20 53.859 56.600 -0.805
154 HE2 PHE 20 HE2 PHE 20 55.430 52.844 0.534
155 HZ PHE 20 HZ PHE 20 55.704 55.277 0.178
156 H ALA 21 H ALA 21 47.691 53.954 -0.109
157 HA ALA 21 HA ALA 21 46.061 51.596 -1.042
158 HB1 ALA 21 1HB ALA 21 45.220 53.117 0.725
159 HB2 ALA 21 2HB ALA 21 45.247 54.499 -0.407
160 HB3 ALA 21 3HB ALA 21 44.146 53.133 -0.687
161 H GLU 22 H GLU 22 47.546 51.522 -2.939
162 HA GLU 22 HA GLU 22 46.001 52.338 -5.352
163 HB2 GLU 22 2HB GLU 22 47.820 53.387 -6.617
164 HB3 GLU 22 1HB GLU 22 47.340 54.340 -5.234
165 HG2 GLU 22 1HG GLU 22 49.440 53.636 -4.001
166 HG3 GLU 22 2HG GLU 22 49.934 52.648 -5.377
167 H ASP 23 H ASP 23 46.418 51.031 -7.154
168 HA ASP 23 HA ASP 23 47.449 48.310 -6.511
169 HB2 ASP 23 1HB ASP 23 45.363 48.795 -7.854
170 HB3 ASP 23 2HB ASP 23 46.362 49.383 -9.180
171 H VAL 24 H VAL 24 49.573 48.791 -6.039
172 HA VAL 24 HA VAL 24 51.479 49.583 -8.254
173 HB VAL 24 HB VAL 24 51.586 50.731 -6.104
174 HG11 VAL 24 1HG2 VAL 24 52.842 48.214 -4.829
175 HG12 VAL 24 2HG2 VAL 24 51.229 48.856 -4.442
176 HG13 VAL 24 3HG2 VAL 24 52.673 49.824 -4.090
177 HG21 VAL 24 1HG1 VAL 24 53.553 50.713 -7.649
178 HG22 VAL 24 2HG1 VAL 24 54.225 49.298 -6.797
179 HG23 VAL 24 3HG1 VAL 24 54.041 50.855 -5.953
180 H GLY 25 H GLY 25 51.600 47.922 -9.593
181 HA2 GLY 25 1HA GLY 25 53.194 45.446 -8.881
182 HA3 GLY 25 2HA GLY 25 51.480 45.141 -9.129
183 H SER 26 H SER 26 54.362 46.403 -10.634
184 HA SER 26 HA SER 26 53.311 45.653 -13.432
185 HB2 SER 26 2HB SER 26 53.355 48.138 -13.055
186 HB3 SER 26 1HB SER 26 55.074 48.074 -12.636
187 HG SER 26 HG SER 26 54.714 48.607 -14.837
188 H ASN 27 H ASN 27 55.155 45.307 -14.987
189 HA ASN 27 HA ASN 27 57.082 43.273 -13.908
190 HB2 ASN 27 1HB ASN 27 56.713 44.385 -16.746
191 HB3 ASN 27 2HB ASN 27 57.958 43.237 -16.335
192 HD21 ASN 27 1HD2 ASN 27 57.335 41.051 -15.791
193 HD22 ASN 27 2HD2 ASN 27 55.637 40.493 -16.236
194 H LYS 28 H LYS 28 58.164 44.468 -12.460
195 HA LYS 28 HA LYS 28 60.083 46.672 -13.327
196 HB2 LYS 28 1HB LYS 28 58.202 47.007 -11.606
197 HB3 LYS 28 2HB LYS 28 59.012 45.885 -10.551
198 HG2 LYS 28 2HG LYS 28 59.631 47.940 -9.666
199 HG3 LYS 28 1HG LYS 28 61.071 47.508 -10.571
200 HD2 LYS 28 1HD LYS 28 60.267 48.993 -12.489
201 HD3 LYS 28 2HD LYS 28 58.838 49.433 -11.585
202 HE2 LYS 28 1HE LYS 28 61.733 49.981 -10.575
203 HE3 LYS 28 2HE LYS 28 60.861 51.100 -11.609
204 HZ1 LYS 28 2HZ LYS 28 59.081 51.274 -9.870
205 HZ2 LYS 28 3HZ LYS 28 60.530 51.705 -9.233
206 HZ3 LYS 28 1HZ LYS 28 59.880 50.238 -8.884
207 H GLY 29 H GLY 29 60.264 43.893 -11.007
208 HA2 GLY 29 1HA GLY 29 63.318 43.804 -11.276
209 HA3 GLY 29 2HA GLY 29 62.373 42.901 -10.121
210 H ALA 30 H ALA 30 63.317 43.046 -13.468
211 HA ALA 30 HA ALA 30 62.202 40.321 -14.123
212 HB1 ALA 30 1HB ALA 30 63.131 40.780 -16.397
213 HB2 ALA 30 2HB ALA 30 62.146 42.143 -15.824
214 HB3 ALA 30 3HB ALA 30 63.928 42.253 -15.804
215 H ILE 31 H ILE 31 63.255 38.492 -13.828
216 HA ILE 31 HA ILE 31 66.310 38.332 -13.948
217 HB ILE 31 HB ILE 31 64.650 36.982 -11.746
218 HG12 ILE 31 1HG1 ILE 31 66.872 39.052 -11.185
219 HG13 ILE 31 2HG1 ILE 31 65.238 39.583 -11.455
220 HG21 ILE 31 2HG2 ILE 31 67.722 36.934 -12.193
221 HG22 ILE 31 3HG2 ILE 31 66.850 36.147 -10.859
222 HG23 ILE 31 1HG2 ILE 31 66.619 35.579 -12.517
223 HD11 ILE 31 1HD1 ILE 31 64.358 38.223 -9.548
224 HD12 ILE 31 2HD1 ILE 31 65.576 39.418 -9.060
225 HD13 ILE 31 3HD1 ILE 31 66.020 37.698 -9.160
226 H ILE 32 H ILE 32 66.362 37.304 -15.897
227 HA ILE 32 HA ILE 32 64.259 35.294 -16.655
228 HB ILE 32 HB ILE 32 64.920 37.008 -18.285
229 HG12 ILE 32 2HG1 ILE 32 65.268 35.494 -20.333
230 HG13 ILE 32 1HG1 ILE 32 65.386 34.123 -19.261
231 HG21 ILE 32 3HG2 ILE 32 67.617 35.560 -18.676
232 HG22 ILE 32 1HG2 ILE 32 67.419 37.140 -17.886
233 HG23 ILE 32 2HG2 ILE 32 66.999 36.954 -19.595
234 HD11 ILE 32 1HD1 ILE 32 62.963 34.605 -18.480
235 HD12 ILE 32 2HD1 ILE 32 62.929 36.000 -19.591
236 HD13 ILE 32 3HD1 ILE 32 63.096 34.354 -20.232
237 H GLY 33 H GLY 33 64.527 33.159 -16.973
238 HA2 GLY 33 1HA GLY 33 66.804 31.784 -15.479
239 HA3 GLY 33 2HA GLY 33 65.322 31.019 -15.996
240 H LEU 34 H LEU 34 65.087 30.580 -18.320
241 HA LEU 34 HA LEU 34 67.730 29.682 -19.564
242 HB2 LEU 34 2HB LEU 34 64.835 28.844 -20.218
243 HB3 LEU 34 1HB LEU 34 66.222 28.454 -21.197
244 HG LEU 34 HG LEU 34 67.291 27.308 -19.120
245 HD11 LEU 34 2HD1 LEU 34 65.683 26.387 -17.426
246 HD12 LEU 34 3HD1 LEU 34 65.723 28.147 -17.319
247 HD13 LEU 34 1HD1 LEU 34 64.353 27.343 -18.122
248 HD21 LEU 34 1HD2 LEU 34 64.745 26.088 -20.389
249 HD22 LEU 34 2HD2 LEU 34 66.058 25.183 -19.598
250 HD23 LEU 34 3HD2 LEU 34 66.376 26.064 -21.101
251 H MET 35 H MET 35 68.600 30.974 -21.028
252 HA MET 35 HA MET 35 66.989 33.130 -22.445
253 HB2 MET 35 2HB MET 35 69.194 33.568 -21.202
254 HB3 MET 35 1HB MET 35 70.035 32.679 -22.461
255 HG2 MET 35 1HG MET 35 68.336 35.244 -22.895
256 HG3 MET 35 2HG MET 35 70.095 35.186 -22.734
257 HE1 MET 35 2HE MET 35 69.657 36.042 -26.517
258 HE2 MET 35 1HE MET 35 70.420 36.500 -24.968
259 HE3 MET 35 3HE MET 35 68.641 36.586 -25.152
260 H VAL 36 H VAL 36 66.072 32.544 -24.302
261 HA VAL 36 HA VAL 36 67.378 30.460 -26.158
262 HB VAL 36 HB VAL 36 64.451 31.357 -26.088
263 HG11 VAL 36 1HG2 VAL 36 64.022 29.570 -27.775
264 HG12 VAL 36 2HG2 VAL 36 65.749 29.146 -27.837
265 HG13 VAL 36 3HG2 VAL 36 65.187 30.725 -28.433
266 HG21 VAL 36 1HG1 VAL 36 65.643 28.596 -25.315
267 HG22 VAL 36 2HG1 VAL 36 65.015 29.793 -24.163
268 HG23 VAL 36 3HG1 VAL 36 63.916 29.037 -25.326
269 H GLY 37 H GLY 37 68.735 31.619 -27.353
270 HA2 GLY 37 1HA GLY 37 67.776 33.687 -29.304
271 HA3 GLY 37 2HA GLY 37 68.706 34.420 -28.007
272 H GLY 38 H GLY 38 70.922 33.839 -27.803
273 HA2 GLY 38 1HA GLY 38 72.346 31.952 -29.581
274 HA3 GLY 38 2HA GLY 38 72.451 33.562 -30.279
275 H VAL 39 H VAL 39 73.288 31.601 -27.507
276 HA VAL 39 HA VAL 39 75.738 33.282 -27.024
277 HB VAL 39 HB VAL 39 75.567 33.251 -24.548
278 HG11 VAL 39 1HG1 VAL 39 74.280 35.339 -24.312
279 HG12 VAL 39 2HG1 VAL 39 75.179 35.364 -25.842
280 HG13 VAL 39 3HG1 VAL 39 73.432 35.046 -25.849
281 HG21 VAL 39 1HG2 VAL 39 72.524 32.793 -24.815
282 HG22 VAL 39 2HG2 VAL 39 73.678 31.628 -24.130
283 HG23 VAL 39 3HG2 VAL 39 73.423 33.182 -23.327
284 H VAL 40 H VAL 40 77.300 31.831 -27.352
285 HA VAL 40 HA VAL 40 77.357 29.285 -25.824
286 HB VAL 40 HB VAL 40 78.075 27.851 -27.713
287 HG11 VAL 40 1HG1 VAL 40 75.123 28.686 -27.967
288 HG12 VAL 40 2HG1 VAL 40 75.828 27.121 -28.442
289 HG13 VAL 40 3HG1 VAL 40 75.783 27.596 -26.731
290 HG21 VAL 40 1HG2 VAL 40 78.516 29.531 -29.533
291 HG22 VAL 40 2HG2 VAL 40 76.773 29.850 -29.672
292 HG23 VAL 40 3HG2 VAL 40 77.427 28.237 -30.068
293 HCG9 23Y 101 HCG9 EVG 1 51.665 42.184 2.333
294 HCG3 23Y 101 HCG3 EVG 1 47.527 42.667 0.681
295 HCG7 23Y 101 HCG7 EVG 1 50.949 37.991 2.744
296 HCG4 23Y 101 HCG4 EVG 1 46.897 41.105 3.236
297 HCB1 23Y 101 HCB1 EVG 1 47.840 43.922 4.203
298 HCB2 23Y 101 HCB2 EVG 1 46.330 45.608 5.170
299 HOB3 23Y 101 HOB3 EVG 1 44.486 46.817 4.877
300 HCB4 23Y 101 HCB4 EVG 1 43.788 45.320 1.734
301 HCB5 23Y 101 HCB5 EVG 1 45.284 43.627 0.756
302 HCC1 23Y 101 HCC1 EVG 1 44.628 40.644 2.703
303 HOC2 23Y 101 HOC2 EVG 1 42.584 39.902 2.251
304 HCC3 23Y 101 HCC3 EVG 1 43.523 38.796 -0.976
305 HOC4 23Y 101 HOC4 EVG 1 45.148 38.552 -2.493
306 HCC5 23Y 101 HCC5 EVG 1 47.558 40.069 -0.395
307 HCD1 23Y 101 HCD1 EVG 1 47.106 38.278 2.600
308 HCD2 23Y 101 HCD2 EVG 1 49.454 36.392 2.861
309 HCE1 23Y 101 HCE1 EVG 1 44.081 34.764 2.913
310 HOE2 23Y 101 HOE2 EVG 1 43.926 32.558 3.235
311 HCE3 23Y 101 HCE3 EVG 1 47.441 32.152 3.374
312 HCE4 23Y 101 HCE4 EVG 1 48.971 34.060 3.180
313 HCE6 23Y 101 HCE6 EVG 1 45.577 36.686 2.706
314 HCF5 23Y 101 HCF5 EVG 1 53.875 36.133 3.622
315 HCF1 23Y 101 HCF1 EVG 1 53.412 38.073 1.949
316 HCF2 23Y 101 HCF2 EVG 1 55.265 39.928 3.576
317 HOF2 23Y 101 HOF2 EVG 1 55.417 38.917 0.912
318 HCF3 23Y 101 HCF3 EVG 1 56.003 37.172 2.403
319 HOF3 23Y 101 HOF3 EVG 1 57.563 38.913 2.661
320 HCF4 23Y 101 HCF4 EVG 1 55.680 37.935 5.363
321 HOF4 23Y 101 HOF4 EVG 1 57.205 36.342 4.663
322 HF61 23Y 101 HF61 EVG 1 53.951 35.398 6.008
323 HF62 23Y 101 HF62 EVG 1 52.364 36.009 5.534
324 HCF6 23Y 101 HCF6 EVG 1 54.349 37.552 6.875
325 HCG9 23Y 102 HCG9 EVG 2 69.001 42.599 -4.314
326 HCG3 23Y 102 HCG3 EVG 2 66.416 39.620 -2.183
327 HCG7 23Y 102 HCG7 EVG 2 65.529 44.118 -6.290
328 HCG4 23Y 102 HCG4 EVG 2 65.509 39.126 -5.066
329 HCB1 23Y 102 HCB1 EVG 2 68.454 38.082 -4.930
330 HCB2 23Y 102 HCB2 EVG 2 69.068 35.703 -4.971
331 HOB3 23Y 102 HOB3 EVG 2 68.759 33.699 -4.050
332 HCB4 23Y 102 HCB4 EVG 2 66.421 34.943 -1.691
333 HCB5 23Y 102 HCB5 EVG 2 65.792 37.324 -1.634
334 HCC1 23Y 102 HCC1 EVG 2 63.626 37.778 -4.526
335 HOC2 23Y 102 HOC2 EVG 2 60.457 37.287 -3.043
336 HCC3 23Y 102 HCC3 EVG 2 60.624 39.126 -1.798
337 HOC4 23Y 102 HOC4 EVG 2 62.576 41.928 -0.868
338 HCC5 23Y 102 HCC5 EVG 2 64.238 41.363 -2.227
339 HCD1 23Y 102 HCD1 EVG 2 63.364 40.996 -5.640
340 HCD2 23Y 102 HCD2 EVG 2 63.454 43.749 -6.887
341 HCE1 23Y 102 HCE1 EVG 2 58.970 40.370 -7.029
342 HOE2 23Y 102 HOE2 EVG 2 57.387 42.926 -8.911
343 HCE3 23Y 102 HCE3 EVG 2 59.182 44.246 -8.824
344 HCE4 23Y 102 HCE4 EVG 2 61.486 44.507 -8.037
345 HCE6 23Y 102 HCE6 EVG 2 61.269 40.600 -6.215
346 HCF5 23Y 102 HCF5 EVG 2 66.105 47.142 -8.088
347 HCF1 23Y 102 HCF1 EVG 2 66.904 46.286 -5.774
348 HCF2 23Y 102 HCF2 EVG 2 69.829 46.180 -6.749
349 HOF2 23Y 102 HOF2 EVG 2 69.448 46.450 -4.507
350 HCF3 23Y 102 HCF3 EVG 2 67.964 48.630 -6.808
351 HOF3 23Y 102 HOF3 EVG 2 70.571 48.077 -7.788
352 HCF4 23Y 102 HCF4 EVG 2 68.968 47.020 -9.240
353 HOF4 23Y 102 HOF4 EVG 2 68.575 49.308 -9.332
354 HF61 23Y 102 HF61 EVG 2 67.303 45.466 -10.381
355 HF62 23Y 102 HF62 EVG 2 65.705 45.211 -9.671
356 HCF6 23Y 102 HOF6 EVG 2 65.717 46.571 -11.572
Start of MODEL 12
1 H1 ASP 1 1H ASP 1 21.894 43.052 25.219
2 H2 ASP 1 2H ASP 1 23.220 43.233 24.240
3 H3 ASP 1 3H ASP 1 22.350 41.828 24.216
4 HA ASP 1 HA ASP 1 23.885 42.870 26.537
5 HB2 ASP 1 1HB ASP 1 21.717 41.627 27.061
6 HB3 ASP 1 2HB ASP 1 22.368 40.188 26.276
7 H ALA 2 H ALA 2 23.871 39.888 24.398
8 HA ALA 2 HA ALA 2 26.837 39.688 24.649
9 HB1 ALA 2 1HB ALA 2 24.807 38.060 22.972
10 HB2 ALA 2 2HB ALA 2 26.504 37.634 23.245
11 HB3 ALA 2 3HB ALA 2 25.381 37.663 24.618
12 H GLU 3 H GLU 3 28.313 40.475 23.305
13 HA GLU 3 HA GLU 3 27.699 41.091 20.382
14 HB2 GLU 3 2HB GLU 3 29.005 43.104 22.318
15 HB3 GLU 3 1HB GLU 3 29.138 43.206 20.570
16 HG2 GLU 3 1HG GLU 3 26.619 43.426 20.348
17 HG3 GLU 3 2HG GLU 3 26.468 43.353 22.105
18 H PHE 4 H PHE 4 28.996 39.646 19.482
19 HA PHE 4 HA PHE 4 31.960 39.507 20.235
20 HB2 PHE 4 2HB PHE 4 30.142 37.021 20.008
21 HB3 PHE 4 1HB PHE 4 31.876 36.987 20.162
22 HD1 PHE 4 HD2 PHE 4 32.998 37.630 22.354
23 HD2 PHE 4 HD1 PHE 4 28.716 37.558 21.987
24 HE1 PHE 4 HE2 PHE 4 32.776 37.672 24.809
25 HE2 PHE 4 HE1 PHE 4 28.515 37.612 24.447
26 HZ PHE 4 HZ PHE 4 30.534 37.666 25.853
27 H ARG 5 H ARG 5 33.141 39.668 18.444
28 HA ARG 5 HA ARG 5 32.161 38.483 15.836
29 HB2 ARG 5 1HB ARG 5 32.708 40.369 14.449
30 HB3 ARG 5 2HB ARG 5 31.420 40.734 15.576
31 HG2 ARG 5 2HG ARG 5 33.034 42.076 17.002
32 HG3 ARG 5 1HG ARG 5 34.344 41.699 15.878
33 HD2 ARG 5 1HD ARG 5 33.093 42.856 14.000
34 HD3 ARG 5 2HD ARG 5 31.751 43.225 15.110
35 HE ARG 5 HE ARG 5 34.180 44.235 16.354
36 HH11 ARG 5 1HH2 ARG 5 32.294 44.978 13.511
37 HH12 ARG 5 2HH2 ARG 5 32.873 46.713 13.507
38 HH21 ARG 5 2HH1 ARG 5 34.799 46.207 16.304
39 HH22 ARG 5 1HH1 ARG 5 34.219 47.355 15.017
40 H HIS 6 H HIS 6 33.633 37.414 14.761
41 HA HIS 6 HA HIS 6 36.615 37.758 15.355
42 HB2 HIS 6 2HB HIS 6 35.067 35.078 15.442
43 HB3 HIS 6 1HB HIS 6 36.802 35.183 15.266
44 HD2 HIS 6 HD2 HIS 6 34.054 35.594 17.938
45 HE1 HIS 6 HE1 HIS 6 37.711 36.040 19.902
46 HE2 HIS 6 HE2 HIS 6 35.184 35.777 20.358
47 H ASP 7 H ASP 7 37.659 38.003 13.490
48 HA ASP 7 HA ASP 7 36.325 37.378 10.845
49 HB2 ASP 7 2HB ASP 7 38.896 38.925 11.548
50 HB3 ASP 7 1HB ASP 7 38.409 38.567 9.906
51 H SER 8 H SER 8 36.747 35.589 9.749
52 HA SER 8 HA SER 8 38.847 33.638 10.651
53 HB2 SER 8 2HB SER 8 36.739 33.420 8.417
54 HB3 SER 8 1HB SER 8 37.832 32.119 8.910
55 HG SER 8 HG SER 8 35.774 32.056 9.970
56 H GLY 9 H GLY 9 40.780 33.348 9.765
57 HA2 GLY 9 1HA GLY 9 42.414 33.055 7.907
58 HA3 GLY 9 2HA GLY 9 41.393 33.973 6.826
59 H TYR 10 H TYR 10 41.372 36.281 7.089
60 HA TYR 10 HA TYR 10 44.002 37.414 8.146
61 HB2 TYR 10 2HB TYR 10 43.756 39.304 6.718
62 HB3 TYR 10 1HB TYR 10 43.709 37.835 5.806
63 HD1 TYR 10 HD2 TYR 10 41.714 40.762 6.894
64 HD2 TYR 10 HD1 TYR 10 41.614 37.157 4.572
65 HE1 TYR 10 HE2 TYR 10 39.679 41.559 5.742
66 HE2 TYR 10 HE1 TYR 10 39.563 37.932 3.462
67 HH TYR 10 HH TYR 10 38.045 39.554 3.312
68 H GLU 11 H GLU 11 43.857 38.049 10.185
69 HA GLU 11 HA GLU 11 41.623 39.971 10.990
70 HB2 GLU 11 1HB GLU 11 41.247 39.020 13.122
71 HB3 GLU 11 2HB GLU 11 40.907 37.862 11.860
72 HG2 GLU 11 1HG GLU 11 43.030 36.595 12.399
73 HG3 GLU 11 2HG GLU 11 43.411 37.763 13.670
74 H VAL 12 H VAL 12 42.988 41.612 10.529
75 HA VAL 12 HA VAL 12 44.808 42.405 12.769
76 HB VAL 12 HB VAL 12 46.659 43.284 11.353
77 HG11 VAL 12 1HG2 VAL 12 47.994 41.218 11.299
78 HG12 VAL 12 2HG2 VAL 12 46.527 40.212 11.345
79 HG13 VAL 12 3HG2 VAL 12 46.959 41.217 12.741
80 HG21 VAL 12 1HG1 VAL 12 45.687 43.144 9.024
81 HG22 VAL 12 2HG1 VAL 12 45.756 41.368 9.108
82 HG23 VAL 12 3HG1 VAL 12 47.254 42.331 9.168
83 H HIS 13 H HIS 13 43.963 44.266 13.357
84 HA HIS 13 HA HIS 13 42.410 45.974 11.435
85 HB2 HIS 13 1HB HIS 13 41.631 45.382 13.781
86 HB3 HIS 13 2HB HIS 13 42.890 46.402 14.445
87 HD2 HIS 13 HD2 HIS 13 39.532 46.571 12.473
88 HE1 HIS 13 HE1 HIS 13 40.361 50.453 13.759
89 HE2 HIS 13 HE2 HIS 13 38.523 49.040 12.631
90 H HIS 14 H HIS 14 45.193 46.813 13.619
91 HA HIS 14 HA HIS 14 45.790 49.200 11.871
92 HB2 HIS 14 2HB HIS 14 47.390 49.924 13.497
93 HB3 HIS 14 1HB HIS 14 45.845 49.616 14.234
94 HD2 HIS 14 HD2 HIS 14 49.494 48.282 14.190
95 HE1 HIS 14 HE1 HIS 14 47.625 46.553 17.492
96 HE2 HIS 14 HE2 HIS 14 49.935 46.811 16.378
97 H GLN 15 H GLN 15 47.072 49.069 10.185
98 HA GLN 15 HA GLN 15 48.974 46.726 9.779
99 HB2 GLN 15 2HB GLN 15 47.260 47.395 8.066
100 HB3 GLN 15 1HB GLN 15 48.063 48.949 7.862
101 HG2 GLN 15 1HG GLN 15 50.152 47.739 7.039
102 HG3 GLN 15 2HG GLN 15 49.358 46.188 7.269
103 HE21 GLN 15 2HE2 GLN 15 47.836 45.552 5.675
104 HE22 GLN 15 1HE2 GLN 15 47.532 46.590 4.179
105 H LYS 16 H LYS 16 50.605 47.205 11.216
106 HA LYS 16 HA LYS 16 52.249 49.787 10.841
107 HB2 LYS 16 1HB LYS 16 51.360 49.168 13.148
108 HB3 LYS 16 2HB LYS 16 52.344 47.721 13.101
109 HG2 LYS 16 2HG LYS 16 53.611 49.159 14.410
110 HG3 LYS 16 1HG LYS 16 54.428 49.293 12.866
111 HD2 LYS 16 2HD LYS 16 53.146 51.490 12.438
112 HD3 LYS 16 1HD LYS 16 52.342 51.301 13.997
113 HE2 LYS 16 1HE LYS 16 54.607 51.364 15.186
114 HE3 LYS 16 2HE LYS 16 55.419 51.553 13.632
115 HZ1 LYS 16 2HZ LYS 16 54.138 53.681 13.297
116 HZ2 LYS 16 3HZ LYS 16 55.005 53.770 14.689
117 HZ3 LYS 16 1HZ LYS 16 53.386 53.504 14.741
118 H LEU 17 H LEU 17 52.702 48.810 8.745
119 HA LEU 17 HA LEU 17 55.401 47.539 8.625
120 HB2 LEU 17 1HB LEU 17 53.777 45.566 8.867
121 HB3 LEU 17 2HB LEU 17 53.037 45.981 7.344
122 HG LEU 17 HG LEU 17 56.060 45.365 7.579
123 HD11 LEU 17 1HD2 LEU 17 54.806 43.415 8.545
124 HD12 LEU 17 2HD2 LEU 17 55.569 42.986 7.006
125 HD13 LEU 17 3HD2 LEU 17 53.819 43.295 7.068
126 HD21 LEU 17 2HD1 LEU 17 54.139 45.038 5.159
127 HD22 LEU 17 3HD1 LEU 17 55.877 44.652 5.179
128 HD23 LEU 17 1HD1 LEU 17 55.350 46.319 5.340
129 H VAL 18 H VAL 18 56.389 48.542 6.886
130 HA VAL 18 HA VAL 18 54.884 50.440 5.187
131 HB VAL 18 HB VAL 18 56.958 50.834 3.901
132 HG11 VAL 18 1HG2 VAL 18 58.086 52.159 5.629
133 HG12 VAL 18 2HG2 VAL 18 56.333 52.254 5.868
134 HG13 VAL 18 3HG2 VAL 18 57.317 51.223 6.933
135 HG21 VAL 18 1HG1 VAL 18 58.223 48.668 4.211
136 HG22 VAL 18 2HG1 VAL 18 59.175 50.091 4.653
137 HG23 VAL 18 3HG1 VAL 18 58.475 49.065 5.927
138 H PHE 19 H PHE 19 53.451 49.685 3.822
139 HA PHE 19 HA PHE 19 53.621 47.130 2.437
140 HB2 PHE 19 1HB PHE 19 51.503 48.435 3.161
141 HB3 PHE 19 2HB PHE 19 51.729 49.477 1.784
142 HD1 PHE 19 HD1 PHE 19 51.314 48.571 -0.553
143 HD2 PHE 19 HD2 PHE 19 50.761 46.072 2.907
144 HE1 PHE 19 HE1 PHE 19 50.055 46.953 -1.913
145 HE2 PHE 19 HE2 PHE 19 49.490 44.468 1.531
146 HZ PHE 19 HZ PHE 19 49.140 44.903 -0.876
147 H PHE 20 H PHE 20 54.218 46.571 0.417
148 HA PHE 20 HA PHE 20 55.716 48.582 -1.313
149 HB2 PHE 20 1HB PHE 20 55.589 45.510 -1.437
150 HB3 PHE 20 2HB PHE 20 56.355 46.485 -2.654
151 HD1 PHE 20 HD2 PHE 20 58.479 47.724 -2.209
152 HD2 PHE 20 HD1 PHE 20 56.654 45.323 0.859
153 HE1 PHE 20 HE2 PHE 20 60.575 47.767 -0.916
154 HE2 PHE 20 HE1 PHE 20 58.754 45.378 2.140
155 HZ PHE 20 HZ PHE 20 60.717 46.595 1.257
156 H ALA 21 H ALA 21 54.588 49.600 -2.802
157 HA ALA 21 HA ALA 21 51.961 48.710 -3.892
158 HB1 ALA 21 1HB ALA 21 52.555 51.122 -3.474
159 HB2 ALA 21 2HB ALA 21 52.173 50.873 -5.187
160 HB3 ALA 21 3HB ALA 21 53.867 51.034 -4.681
161 H GLU 22 H GLU 22 51.466 48.290 -6.143
162 HA GLU 22 HA GLU 22 53.457 46.540 -7.476
163 HB2 GLU 22 2HB GLU 22 51.781 45.808 -8.934
164 HB3 GLU 22 1HB GLU 22 51.176 45.832 -7.297
165 HG2 GLU 22 2HG GLU 22 49.808 47.938 -7.859
166 HG3 GLU 22 1HG GLU 22 50.424 47.865 -9.510
167 H ASP 23 H ASP 23 54.885 48.430 -7.525
168 HA ASP 23 HA ASP 23 55.537 48.912 -10.388
169 HB2 ASP 23 1HB ASP 23 54.033 50.940 -9.843
170 HB3 ASP 23 2HB ASP 23 55.217 51.453 -8.648
171 H VAL 24 H VAL 24 57.400 47.846 -10.057
172 HA VAL 24 HA VAL 24 59.489 48.930 -8.135
173 HB VAL 24 HB VAL 24 58.820 45.932 -8.125
174 HG11 VAL 24 1HG1 VAL 24 60.921 47.471 -6.433
175 HG12 VAL 24 2HG1 VAL 24 61.302 46.413 -7.811
176 HG13 VAL 24 3HG1 VAL 24 60.573 45.728 -6.352
177 HG21 VAL 24 1HG2 VAL 24 58.200 46.172 -5.714
178 HG22 VAL 24 2HG2 VAL 24 57.145 47.190 -6.702
179 HG23 VAL 24 3HG2 VAL 24 58.465 47.935 -5.785
180 H GLY 25 H GLY 25 60.754 49.605 -9.722
181 HA2 GLY 25 1HA GLY 25 61.917 47.624 -11.770
182 HA3 GLY 25 2HA GLY 25 61.089 49.051 -12.377
183 H SER 26 H SER 26 63.779 47.938 -10.427
184 HA SER 26 HA SER 26 65.101 50.650 -10.358
185 HB2 SER 26 2HB SER 26 66.756 49.583 -8.887
186 HB3 SER 26 1HB SER 26 65.133 49.210 -8.329
187 HG SER 26 HG SER 26 66.688 47.501 -10.012
188 H ASN 27 H ASN 27 66.923 51.218 -11.458
189 HA ASN 27 HA ASN 27 67.685 49.674 -13.933
190 HB2 ASN 27 1HB ASN 27 68.692 52.377 -12.839
191 HB3 ASN 27 2HB ASN 27 69.290 51.621 -14.292
192 HD21 ASN 27 1HD2 ASN 27 66.457 53.214 -12.949
193 HD22 ASN 27 2HD2 ASN 27 65.679 53.418 -14.605
194 H LYS 28 H LYS 28 68.502 47.813 -13.112
195 HA LYS 28 HA LYS 28 71.079 47.882 -11.484
196 HB2 LYS 28 1HB LYS 28 70.677 45.602 -10.841
197 HB3 LYS 28 2HB LYS 28 69.332 46.632 -10.427
198 HG2 LYS 28 2HG LYS 28 68.029 45.662 -12.433
199 HG3 LYS 28 1HG LYS 28 69.392 44.591 -12.752
200 HD2 LYS 28 2HD LYS 28 69.189 43.622 -10.431
201 HD3 LYS 28 1HD LYS 28 67.835 44.653 -10.055
202 HE2 LYS 28 2HE LYS 28 67.838 42.559 -12.362
203 HE3 LYS 28 1HE LYS 28 67.372 42.171 -10.714
204 HZ1 LYS 28 2HZ LYS 28 65.575 43.890 -10.845
205 HZ2 LYS 28 3HZ LYS 28 65.986 44.269 -12.385
206 HZ3 LYS 28 1HZ LYS 28 65.372 42.782 -12.040
207 H GLY 29 H GLY 29 72.930 46.944 -12.103
208 HA2 GLY 29 1HA GLY 29 73.247 45.446 -14.715
209 HA3 GLY 29 2HA GLY 29 73.894 47.079 -14.761
210 H ALA 30 H ALA 30 75.628 47.591 -13.290
211 HA ALA 30 HA ALA 30 77.476 45.273 -12.692
212 HB1 ALA 30 1HB ALA 30 79.167 47.074 -12.302
213 HB2 ALA 30 2HB ALA 30 77.922 48.328 -12.482
214 HB3 ALA 30 3HB ALA 30 78.365 47.294 -13.869
215 H ILE 31 H ILE 31 77.785 44.453 -10.719
216 HA ILE 31 HA ILE 31 77.145 46.084 -8.229
217 HB ILE 31 HB ILE 31 75.220 44.658 -8.714
218 HG12 ILE 31 2HG1 ILE 31 76.450 43.628 -6.102
219 HG13 ILE 31 1HG1 ILE 31 76.116 45.334 -6.308
220 HG21 ILE 31 2HG2 ILE 31 75.184 42.193 -8.393
221 HG22 ILE 31 3HG2 ILE 31 76.945 42.160 -8.135
222 HG23 ILE 31 1HG2 ILE 31 76.280 42.608 -9.720
223 HD11 ILE 31 1HD1 ILE 31 73.697 44.912 -6.735
224 HD12 ILE 31 2HD1 ILE 31 74.206 44.264 -5.169
225 HD13 ILE 31 3HD1 ILE 31 73.939 43.157 -6.536
226 H ILE 32 H ILE 32 78.877 46.282 -6.992
227 HA ILE 32 HA ILE 32 81.281 44.498 -7.428
228 HB ILE 32 HB ILE 32 82.543 45.929 -5.878
229 HG12 ILE 32 2HG1 ILE 32 80.469 48.172 -6.050
230 HG13 ILE 32 1HG1 ILE 32 80.332 47.001 -4.762
231 HG21 ILE 32 3HG2 ILE 32 82.947 47.765 -7.498
232 HG22 ILE 32 1HG2 ILE 32 82.715 46.223 -8.336
233 HG23 ILE 32 2HG2 ILE 32 81.404 47.423 -8.315
234 HD11 ILE 32 1HD1 ILE 32 82.664 47.516 -3.944
235 HD12 ILE 32 2HD1 ILE 32 82.832 48.756 -5.215
236 HD13 ILE 32 3HD1 ILE 32 81.603 48.938 -3.943
237 H GLY 33 H GLY 33 81.731 42.810 -6.214
238 HA2 GLY 33 1HA GLY 33 80.114 42.139 -3.728
239 HA3 GLY 33 2HA GLY 33 81.245 41.081 -4.534
240 H LEU 34 H LEU 34 81.097 43.972 -2.525
241 HA LEU 34 HA LEU 34 83.914 43.525 -1.457
242 HB2 LEU 34 2HB LEU 34 83.012 45.832 -2.136
243 HB3 LEU 34 1HB LEU 34 81.889 45.730 -0.799
244 HG LEU 34 HG LEU 34 83.995 45.493 0.764
245 HD11 LEU 34 2HD1 LEU 34 85.437 46.608 -1.751
246 HD12 LEU 34 3HD1 LEU 34 86.129 46.460 -0.121
247 HD13 LEU 34 1HD1 LEU 34 85.726 45.001 -1.041
248 HD21 LEU 34 1HD2 LEU 34 83.548 48.134 -0.787
249 HD22 LEU 34 2HD2 LEU 34 84.318 47.975 0.810
250 HD23 LEU 34 3HD2 LEU 34 82.604 47.573 0.613
251 H MET 35 H MET 35 84.103 42.055 0.120
252 HA MET 35 HA MET 35 81.830 41.411 2.034
253 HB2 MET 35 2HB MET 35 84.574 40.085 1.620
254 HB3 MET 35 1HB MET 35 83.482 39.644 2.915
255 HG2 MET 35 2HG MET 35 82.740 39.398 -0.070
256 HG3 MET 35 1HG MET 35 83.316 38.085 0.971
257 HE1 MET 35 2HE MET 35 80.617 37.919 -0.659
258 HE2 MET 35 1HE MET 35 81.208 36.616 0.420
259 HE3 MET 35 3HE MET 35 79.524 37.202 0.562
260 H VAL 36 H VAL 36 81.678 42.448 3.890
261 HA VAL 36 HA VAL 36 84.139 43.740 5.222
262 HB VAL 36 HB VAL 36 81.187 44.468 5.594
263 HG11 VAL 36 1HG2 VAL 36 83.681 45.834 6.833
264 HG12 VAL 36 2HG2 VAL 36 81.989 46.355 7.015
265 HG13 VAL 36 3HG2 VAL 36 82.518 44.825 7.723
266 HG21 VAL 36 1HG1 VAL 36 82.119 45.353 3.399
267 HG22 VAL 36 2HG1 VAL 36 83.440 46.151 4.277
268 HG23 VAL 36 3HG1 VAL 36 81.751 46.660 4.534
269 H GLY 37 H GLY 37 84.926 42.112 6.406
270 HA2 GLY 37 1HA GLY 37 83.532 41.058 8.807
271 HA3 GLY 37 2HA GLY 37 83.486 39.845 7.535
272 H GLY 38 H GLY 38 85.498 38.986 6.789
273 HA2 GLY 38 1HA GLY 38 87.719 38.882 8.886
274 HA3 GLY 38 2HA GLY 38 87.570 37.831 7.498
275 H VAL 39 H VAL 39 88.488 41.062 8.495
276 HA VAL 39 HA VAL 39 89.976 41.547 5.882
277 HB VAL 39 HB VAL 39 88.493 43.292 6.738
278 HG11 VAL 39 1HG1 VAL 39 89.075 44.847 8.549
279 HG12 VAL 39 2HG1 VAL 39 88.923 43.219 9.236
280 HG13 VAL 39 3HG1 VAL 39 90.533 43.921 8.965
281 HG21 VAL 39 1HG2 VAL 39 89.944 45.201 6.196
282 HG22 VAL 39 2HG2 VAL 39 91.411 44.239 6.500
283 HG23 VAL 39 3HG2 VAL 39 90.336 43.836 5.139
284 H VAL 40 H VAL 40 91.611 40.085 5.925
285 HA VAL 40 HA VAL 40 93.902 40.622 7.811
286 HB VAL 40 HB VAL 40 92.586 38.764 8.836
287 HG11 VAL 40 1HG1 VAL 40 92.603 36.447 7.971
288 HG12 VAL 40 2HG1 VAL 40 91.794 37.500 6.787
289 HG13 VAL 40 3HG1 VAL 40 93.457 36.957 6.493
290 HG21 VAL 40 1HG2 VAL 40 94.520 37.327 9.393
291 HG22 VAL 40 2HG2 VAL 40 95.410 37.909 7.962
292 HG23 VAL 40 3HG2 VAL 40 95.033 39.023 9.296
293 HCG9 23Y 101 HCG9 EVG 1 46.609 44.679 -1.078
294 HCG3 23Y 101 HCG3 EVG 1 46.272 44.877 3.381
295 HCG7 23Y 101 HCG7 EVG 1 42.344 44.756 -1.345
296 HCG4 23Y 101 HCG4 EVG 1 44.359 42.557 2.829
297 HCB1 23Y 101 HCB1 EVG 1 46.632 43.927 5.616
298 HCB2 23Y 101 HCB2 EVG 1 47.899 42.316 6.961
299 HOB3 23Y 101 HOB3 EVG 1 48.965 40.363 6.987
300 HCB4 23Y 101 HCB4 EVG 1 48.442 39.831 3.517
301 HCB5 23Y 101 HCB5 EVG 1 47.228 41.474 2.133
302 HCC1 23Y 101 HCC1 EVG 1 43.898 46.350 3.217
303 HOC2 23Y 101 HOC2 EVG 1 42.054 47.844 5.843
304 HCC3 23Y 101 HCC3 EVG 1 41.750 45.909 6.889
305 HOC4 23Y 101 HOC4 EVG 1 42.341 42.433 6.934
306 HCC5 23Y 101 HCC5 EVG 1 43.437 42.466 5.013
307 HCD1 23Y 101 HCD1 EVG 1 41.747 43.686 2.310
308 HCD2 23Y 101 HCD2 EVG 1 40.436 44.454 -0.302
309 HCE1 23Y 101 HCE1 EVG 1 37.617 43.045 4.348
310 HOE2 23Y 101 HOE2 EVG 1 34.676 43.495 2.416
311 HCE3 23Y 101 HCE3 EVG 1 35.824 44.038 0.590
312 HCE4 23Y 101 HCE4 EVG 1 38.035 44.380 -0.397
313 HCE6 23Y 101 HCE6 EVG 1 39.846 43.381 3.395
314 HCF5 23Y 101 HCF5 EVG 1 41.304 44.855 -4.998
315 HCF1 23Y 101 HCF1 EVG 1 43.057 46.179 -3.332
316 HCF2 23Y 101 HCF2 EVG 1 45.508 45.961 -4.793
317 HOF2 23Y 101 HOF2 EVG 1 43.015 46.802 -5.826
318 HCF3 23Y 101 HCF3 EVG 1 44.756 45.145 -7.067
319 HOF3 23Y 101 HOF3 EVG 1 44.771 43.341 -4.894
320 HCF4 23Y 101 HCF4 EVG 1 42.953 43.260 -6.910
321 HOF4 23Y 101 HOF4 EVG 1 42.711 45.159 -8.049
322 HF61 23Y 101 HF61 EVG 1 40.611 42.587 -5.821
323 HF62 23Y 101 HF62 EVG 1 40.655 42.713 -4.062
324 HCF6 23Y 101 HCF6 EVG 1 42.752 41.619 -5.658
325 HCG9 23Y 102 HCG9 EVG 2 74.096 37.797 -13.787
326 HCG3 23Y 102 HCG3 EVG 2 71.745 35.713 -10.575
327 HCG7 23Y 102 HCG7 EVG 2 73.712 41.449 -11.607
328 HCG4 23Y 102 HCG4 EVG 2 69.870 38.068 -11.129
329 HCB1 23Y 102 HCB1 EVG 2 69.724 36.275 -13.685
330 HCB2 23Y 102 HCB2 EVG 2 67.756 34.908 -14.272
331 HOB3 23Y 102 HOB3 EVG 2 66.357 32.594 -11.977
332 HCB4 23Y 102 HCB4 EVG 2 67.854 33.080 -10.401
333 HCB5 23Y 102 HCB5 EVG 2 69.812 34.431 -9.797
334 HCC1 23Y 102 HCC1 EVG 2 68.468 37.753 -9.232
335 HOC2 23Y 102 HOC2 EVG 2 67.899 37.639 -5.748
336 HCC3 23Y 102 HCC3 EVG 2 70.068 37.520 -5.281
337 HOC4 23Y 102 HOC4 EVG 2 72.280 37.380 -5.118
338 HCC5 23Y 102 HCC5 EVG 2 72.724 37.476 -8.627
339 HCD1 23Y 102 HCD1 EVG 2 70.730 40.288 -9.468
340 HCD2 23Y 102 HCD2 EVG 2 72.648 42.550 -10.076
341 HCE1 23Y 102 HCE1 EVG 2 68.560 42.837 -6.244
342 HOE2 23Y 102 HOE2 EVG 2 69.619 46.177 -5.705
343 HCE3 23Y 102 HCE3 EVG 2 71.195 46.048 -7.278
344 HCE4 23Y 102 HCE4 EVG 2 72.315 44.624 -8.923
345 HCE6 23Y 102 HCE6 EVG 2 69.666 41.380 -7.873
346 HCF5 23Y 102 HCF5 EVG 2 77.122 37.716 -15.721
347 HCF1 23Y 102 HCF1 EVG 2 75.318 39.517 -15.294
348 HCF2 23Y 102 HCF2 EVG 2 77.389 41.346 -13.926
349 HOF2 23Y 102 HOF2 EVG 2 75.593 42.368 -14.855
350 HCF3 23Y 102 HCF3 EVG 2 77.569 40.176 -16.766
351 HOF3 23Y 102 HOF3 EVG 2 79.411 41.572 -15.121
352 HCF4 23Y 102 HCF4 EVG 2 79.304 39.395 -14.331
353 HOF4 23Y 102 HOF4 EVG 2 79.059 38.453 -17.004
354 HF61 23Y 102 HF61 EVG 2 79.031 36.371 -14.738
355 HF62 23Y 102 HF62 EVG 2 77.466 36.063 -13.980
356 HCF6 23Y 102 HOF6 EVG 2 78.089 37.670 -12.386