Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25137 | 2k6o RC | 15876 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 1HT LEU 1 -22.972 5.280 5.573
2 H2 LEU 1 2HT LEU 1 -24.245 4.298 6.124
3 H3 LEU 1 3HT LEU 1 -24.024 4.554 4.458
4 HA LEU 1 HA LEU 1 -22.868 2.583 6.135
5 HB2 LEU 1 2HB LEU 1 -23.027 3.215 3.191
6 HB3 LEU 1 1HB LEU 1 -22.040 1.871 3.765
7 HG LEU 1 HG LEU 1 -23.991 0.886 4.882
8 HD11 LEU 1 2HD1 LEU 1 -25.294 2.768 5.517
9 HD12 LEU 1 3HD1 LEU 1 -26.256 1.956 4.283
10 HD13 LEU 1 1HD1 LEU 1 -25.330 3.398 3.870
11 HD21 LEU 1 1HD2 LEU 1 -25.156 0.161 2.910
12 HD22 LEU 1 2HD2 LEU 1 -23.492 0.474 2.418
13 HD23 LEU 1 3HD2 LEU 1 -24.755 1.648 2.052
14 H LEU 2 H LEU 2 -21.695 5.220 6.578
15 HA LEU 2 HA LEU 2 -19.122 5.271 5.321
16 HB2 LEU 2 2HB LEU 2 -20.538 7.198 6.483
17 HB3 LEU 2 1HB LEU 2 -19.627 6.694 7.902
18 HG LEU 2 HG LEU 2 -18.457 8.510 6.737
19 HD11 LEU 2 1HD1 LEU 2 -16.879 6.034 6.103
20 HD12 LEU 2 2HD1 LEU 2 -17.265 6.427 7.775
21 HD13 LEU 2 3HD1 LEU 2 -16.327 7.554 6.795
22 HD21 LEU 2 3HD2 LEU 2 -18.109 8.580 4.483
23 HD22 LEU 2 1HD2 LEU 2 -19.434 7.419 4.425
24 HD23 LEU 2 2HD2 LEU 2 -17.764 6.854 4.375
25 H GLY 3 H GLY 3 -20.344 4.276 8.467
26 HA2 GLY 3 2HA GLY 3 -17.908 3.589 9.674
27 HA3 GLY 3 1HA GLY 3 -19.461 2.834 10.043
28 H ASP 4 H ASP 4 -19.978 1.892 7.399
29 HA ASP 4 HA ASP 4 -18.539 -0.594 7.467
30 HB2 ASP 4 2HB ASP 4 -20.963 -0.200 6.722
31 HB3 ASP 4 1HB ASP 4 -20.282 0.386 5.209
32 H PHE 5 H PHE 5 -18.302 2.406 5.746
33 HA PHE 5 HA PHE 5 -16.703 1.566 3.550
34 HB2 PHE 5 2HB PHE 5 -17.907 3.742 3.698
35 HB3 PHE 5 1HB PHE 5 -16.772 4.248 4.932
36 HD1 PHE 5 2HD PHE 5 -14.419 4.664 4.421
37 HD2 PHE 5 1HD PHE 5 -17.223 3.563 1.361
38 HE1 PHE 5 2HE PHE 5 -12.809 5.393 2.687
39 HE2 PHE 5 1HE PHE 5 -15.614 4.294 -0.377
40 HZ PHE 5 HZ PHE 5 -13.404 5.207 0.284
41 H PHE 6 H PHE 6 -15.967 3.075 6.634
42 HA PHE 6 HA PHE 6 -13.202 3.215 6.469
43 HB2 PHE 6 2HB PHE 6 -15.163 2.949 8.713
44 HB3 PHE 6 1HB PHE 6 -13.450 2.762 9.079
45 HD1 PHE 6 2HD PHE 6 -11.974 4.646 7.620
46 HD2 PHE 6 1HD PHE 6 -15.975 5.085 9.130
47 HE1 PHE 6 2HE PHE 6 -11.707 7.108 7.617
48 HE2 PHE 6 1HE PHE 6 -15.701 7.548 9.130
49 HZ PHE 6 HZ PHE 6 -13.568 8.559 8.374
50 H ARG 7 H ARG 7 -15.251 0.522 7.537
51 HA ARG 7 HA ARG 7 -13.134 -1.230 8.239
52 HB2 ARG 7 2HB ARG 7 -15.987 -1.796 7.397
53 HB3 ARG 7 1HB ARG 7 -14.886 -3.002 8.061
54 HG2 ARG 7 2HG ARG 7 -15.273 -0.449 9.585
55 HG3 ARG 7 1HG ARG 7 -16.555 -1.658 9.641
56 HD2 ARG 7 2HD ARG 7 -13.672 -2.384 10.160
57 HD3 ARG 7 1HD ARG 7 -14.728 -1.811 11.448
58 HE ARG 7 HE ARG 7 -16.164 -3.826 10.301
59 HH11 ARG 7 1HH2 ARG 7 -12.949 -3.495 11.537
60 HH12 ARG 7 2HH2 ARG 7 -12.828 -5.145 12.051
61 HH21 ARG 7 1HH1 ARG 7 -16.013 -5.992 10.973
62 HH22 ARG 7 2HH1 ARG 7 -14.563 -6.558 11.731
63 H LYS 8 H LYS 8 -14.890 -0.627 5.236
64 HA LYS 8 HA LYS 8 -13.703 -2.811 3.805
65 HB2 LYS 8 2HB LYS 8 -15.873 -1.817 3.155
66 HB3 LYS 8 1HB LYS 8 -15.049 -0.312 2.750
67 HG2 LYS 8 2HG LYS 8 -13.931 -1.264 0.916
68 HG3 LYS 8 1HG LYS 8 -14.155 -2.909 1.512
69 HD2 LYS 8 2HD LYS 8 -15.657 -2.418 -0.401
70 HD3 LYS 8 1HD LYS 8 -16.567 -2.763 1.071
71 HE2 LYS 8 2HE LYS 8 -16.995 -0.430 1.453
72 HE3 LYS 8 1HE LYS 8 -15.859 0.046 0.190
73 HZ1 LYS 8 3HZ LYS 8 -17.823 -1.751 -0.807
74 HZ2 LYS 8 1HZ LYS 8 -17.416 -0.198 -1.350
75 HZ3 LYS 8 2HZ LYS 8 -18.554 -0.388 -0.103
76 H SER 9 H SER 9 -13.160 0.712 3.840
77 HA SER 9 HA SER 9 -11.017 0.706 1.997
78 HB2 SER 9 2HB SER 9 -12.194 2.763 2.562
79 HB3 SER 9 1HB SER 9 -11.665 2.637 4.237
80 HG SER 9 HG SER 9 -9.464 2.501 3.050
81 H LYS 10 H LYS 10 -11.203 0.200 5.457
82 HA LYS 10 HA LYS 10 -8.591 0.523 6.265
83 HB2 LYS 10 2HB LYS 10 -10.286 0.024 7.881
84 HB3 LYS 10 1HB LYS 10 -10.639 -1.527 7.119
85 HG2 LYS 10 2HG LYS 10 -8.580 -2.469 7.818
86 HG3 LYS 10 1HG LYS 10 -7.890 -0.891 8.195
87 HD2 LYS 10 2HD LYS 10 -10.371 -1.716 9.656
88 HD3 LYS 10 1HD LYS 10 -8.850 -2.477 10.119
89 HE2 LYS 10 2HE LYS 10 -9.136 0.522 9.868
90 HE3 LYS 10 1HE LYS 10 -9.462 -0.334 11.375
91 HZ1 LYS 10 3HZ LYS 10 -7.228 -1.238 11.312
92 HZ2 LYS 10 1HZ LYS 10 -7.181 0.458 11.280
93 HZ3 LYS 10 2HZ LYS 10 -6.912 -0.425 9.854
94 H GLU 11 H GLU 11 -10.008 -2.577 5.135
95 HA GLU 11 HA GLU 11 -7.464 -3.856 5.064
96 HB2 GLU 11 2HB GLU 11 -8.589 -5.763 4.254
97 HB3 GLU 11 1HB GLU 11 -9.763 -4.966 5.299
98 HG2 GLU 11 2HG GLU 11 -10.591 -3.778 3.176
99 HG3 GLU 11 1HG GLU 11 -9.650 -4.968 2.282
100 H LYS 12 H LYS 12 -9.286 -2.026 2.729
101 HA LYS 12 HA LYS 12 -8.080 -2.920 0.367
102 HB2 LYS 12 2HB LYS 12 -9.129 -0.199 1.148
103 HB3 LYS 12 1HB LYS 12 -8.526 -0.557 -0.467
104 HG2 LYS 12 2HG LYS 12 -10.303 -2.675 0.170
105 HG3 LYS 12 1HG LYS 12 -11.110 -1.200 0.690
106 HD2 LYS 12 2HD LYS 12 -11.753 -1.430 -1.568
107 HD3 LYS 12 1HD LYS 12 -10.449 -0.244 -1.620
108 HE2 LYS 12 2HE LYS 12 -9.906 -1.768 -3.346
109 HE3 LYS 12 1HE LYS 12 -8.884 -2.270 -1.999
110 HZ1 LYS 12 3HZ LYS 12 -10.786 -3.820 -1.409
111 HZ2 LYS 12 1HZ LYS 12 -9.860 -4.226 -2.770
112 HZ3 LYS 12 2HZ LYS 12 -11.388 -3.509 -2.968
113 H ILE 13 H ILE 13 -6.879 -0.714 2.857
114 HA ILE 13 HA ILE 13 -4.671 0.197 1.291
115 HB ILE 13 HB ILE 13 -4.149 1.509 3.081
116 HG12 ILE 13 2HG1 ILE 13 -5.059 -0.686 4.963
117 HG13 ILE 13 1HG1 ILE 13 -3.389 -0.356 4.519
118 HG21 ILE 13 1HG2 ILE 13 -6.108 2.325 4.041
119 HG22 ILE 13 2HG2 ILE 13 -6.801 0.716 4.231
120 HG23 ILE 13 3HG2 ILE 13 -6.726 1.459 2.633
121 HD11 ILE 13 3HD1 ILE 13 -3.628 1.944 5.438
122 HD12 ILE 13 1HD1 ILE 13 -3.868 0.699 6.662
123 HD13 ILE 13 2HD1 ILE 13 -5.258 1.534 5.969
124 H GLY 14 H GLY 14 -4.997 -2.139 3.948
125 HA2 GLY 14 2HA GLY 14 -2.421 -3.021 4.223
126 HA3 GLY 14 1HA GLY 14 -3.821 -4.078 4.379
127 H LYS 15 H LYS 15 -4.666 -3.757 1.603
128 HA LYS 15 HA LYS 15 -3.035 -5.823 0.456
129 HB2 LYS 15 2HB LYS 15 -5.490 -5.660 0.105
130 HB3 LYS 15 1HB LYS 15 -5.231 -4.191 -0.834
131 HG2 LYS 15 2HG LYS 15 -3.465 -6.265 -1.806
132 HG3 LYS 15 1HG LYS 15 -5.113 -6.883 -1.759
133 HD2 LYS 15 2HD LYS 15 -4.471 -4.186 -2.966
134 HD3 LYS 15 1HD LYS 15 -4.379 -5.672 -3.910
135 HE2 LYS 15 2HE LYS 15 -6.715 -6.165 -3.476
136 HE3 LYS 15 1HE LYS 15 -6.840 -4.799 -2.368
137 HZ1 LYS 15 3HZ LYS 15 -5.876 -3.657 -4.614
138 HZ2 LYS 15 1HZ LYS 15 -7.511 -3.680 -4.160
139 HZ3 LYS 15 2HZ LYS 15 -6.915 -4.845 -5.245
140 H GLU 16 H GLU 16 -3.688 -2.420 -0.464
141 HA GLU 16 HA GLU 16 -1.658 -2.517 -2.525
142 HB2 GLU 16 2HB GLU 16 -2.315 -0.336 -3.092
143 HB3 GLU 16 1HB GLU 16 -3.805 -1.087 -2.524
144 HG2 GLU 16 2HG GLU 16 -3.079 -0.137 -0.191
145 HG3 GLU 16 1HG GLU 16 -2.066 0.941 -1.145
146 H PHE 17 H PHE 17 -1.930 -1.264 0.760
147 HA PHE 17 HA PHE 17 0.418 0.264 0.851
148 HB2 PHE 17 2HB PHE 17 -1.455 0.022 2.613
149 HB3 PHE 17 1HB PHE 17 -0.553 -1.383 3.179
150 HD1 PHE 17 2HD PHE 17 -0.293 2.273 2.506
151 HD2 PHE 17 1HD PHE 17 1.423 -1.135 4.478
152 HE1 PHE 17 2HE PHE 17 1.249 3.767 3.746
153 HE2 PHE 17 1HE PHE 17 2.965 0.359 5.718
154 HZ PHE 17 HZ PHE 17 2.878 2.810 5.351
155 H LYS 18 H LYS 18 -0.124 -3.201 1.289
156 HA LYS 18 HA LYS 18 2.500 -3.853 2.147
157 HB2 LYS 18 2HB LYS 18 0.446 -5.331 2.309
158 HB3 LYS 18 1HB LYS 18 0.632 -5.646 0.585
159 HG2 LYS 18 2HG LYS 18 1.851 -7.419 1.460
160 HG3 LYS 18 1HG LYS 18 3.128 -6.217 1.283
161 HD2 LYS 18 2HD LYS 18 3.478 -6.885 3.483
162 HD3 LYS 18 1HD LYS 18 2.384 -5.527 3.733
163 HE2 LYS 18 2HE LYS 18 0.489 -7.295 3.553
164 HE3 LYS 18 1HE LYS 18 1.769 -8.476 3.825
165 HZ1 LYS 18 3HZ LYS 18 0.883 -7.912 5.926
166 HZ2 LYS 18 1HZ LYS 18 0.958 -6.249 5.603
167 HZ3 LYS 18 2HZ LYS 18 2.391 -7.135 5.822
168 H ARG 19 H ARG 19 0.948 -3.953 -1.065
169 HA ARG 19 HA ARG 19 3.248 -4.804 -2.481
170 HB2 ARG 19 2HB ARG 19 0.871 -3.180 -3.423
171 HB3 ARG 19 1HB ARG 19 2.059 -3.942 -4.481
172 HG2 ARG 19 2HG ARG 19 1.492 -6.144 -3.339
173 HG3 ARG 19 1HG ARG 19 0.135 -5.307 -2.586
174 HD2 ARG 19 2HD ARG 19 -0.827 -6.233 -4.518
175 HD3 ARG 19 1HD ARG 19 -0.470 -4.579 -5.009
176 HE ARG 19 HE ARG 19 1.778 -5.965 -5.713
177 HH11 ARG 19 1HH2 ARG 19 -1.618 -6.317 -6.268
178 HH12 ARG 19 2HH2 ARG 19 -1.429 -7.065 -7.818
179 HH21 ARG 19 1HH1 ARG 19 2.036 -6.947 -7.746
180 HH22 ARG 19 2HH1 ARG 19 0.641 -7.422 -8.656
181 H ILE 20 H ILE 20 2.118 -1.650 -1.439
182 HA ILE 20 HA ILE 20 3.901 -0.098 -3.024
183 HB ILE 20 HB ILE 20 2.303 0.435 -0.525
184 HG12 ILE 20 2HG1 ILE 20 2.224 1.689 -3.283
185 HG13 ILE 20 1HG1 ILE 20 1.244 0.299 -2.822
186 HG21 ILE 20 1HG2 ILE 20 4.355 2.195 -1.875
187 HG22 ILE 20 2HG2 ILE 20 4.197 1.820 -0.159
188 HG23 ILE 20 3HG2 ILE 20 3.021 2.874 -0.942
189 HD11 ILE 20 3HD1 ILE 20 1.218 2.969 -1.384
190 HD12 ILE 20 1HD1 ILE 20 0.172 1.589 -1.053
191 HD13 ILE 20 2HD1 ILE 20 0.020 2.463 -2.577
192 H VAL 21 H VAL 21 4.007 -1.045 0.423
193 HA VAL 21 HA VAL 21 6.512 0.019 1.028
194 HB VAL 21 HB VAL 21 5.137 -2.450 2.113
195 HG11 VAL 21 1HG1 VAL 21 7.448 -2.707 2.657
196 HG12 VAL 21 2HG1 VAL 21 6.702 -2.001 4.090
197 HG13 VAL 21 3HG1 VAL 21 7.634 -0.985 2.990
198 HG21 VAL 21 3HG2 VAL 21 4.079 -0.122 2.350
199 HG22 VAL 21 1HG2 VAL 21 5.462 0.285 3.367
200 HG23 VAL 21 2HG2 VAL 21 4.361 -1.006 3.850
201 H GLN 22 H GLN 22 5.637 -3.034 -0.507
202 HA GLN 22 HA GLN 22 8.267 -4.148 -0.480
203 HB2 GLN 22 2HB GLN 22 6.044 -5.382 -0.817
204 HB3 GLN 22 1HB GLN 22 6.112 -4.812 -2.484
205 HG2 GLN 22 2HG GLN 22 7.137 -6.974 -2.484
206 HG3 GLN 22 1HG GLN 22 8.453 -5.807 -2.600
207 HE21 GLN 22 1HE2 GLN 22 6.753 -7.963 -0.307
208 HE22 GLN 22 2HE2 GLN 22 8.025 -8.030 0.815
209 H ARG 23 H ARG 23 6.392 -2.306 -2.864
210 HA ARG 23 HA ARG 23 8.345 -2.428 -4.930
211 HB2 ARG 23 2HB ARG 23 5.919 -1.853 -5.248
212 HB3 ARG 23 1HB ARG 23 6.252 -0.283 -4.516
213 HG2 ARG 23 2HG ARG 23 7.930 0.186 -6.254
214 HG3 ARG 23 1HG ARG 23 7.624 -1.391 -6.984
215 HD2 ARG 23 2HD ARG 23 5.169 -0.648 -7.154
216 HD3 ARG 23 1HD ARG 23 5.757 0.975 -6.807
217 HE ARG 23 HE ARG 23 7.341 0.139 -8.872
218 HH11 ARG 23 1HH2 ARG 23 3.935 0.318 -8.283
219 HH12 ARG 23 2HH2 ARG 23 3.523 0.573 -9.946
220 HH21 ARG 23 1HH1 ARG 23 6.808 0.472 -11.051
221 HH22 ARG 23 2HH1 ARG 23 5.149 0.661 -11.514
222 H ILE 24 H ILE 24 7.550 0.096 -2.536
223 HA ILE 24 HA ILE 24 9.457 1.982 -3.314
224 HB ILE 24 HB ILE 24 7.937 1.396 -0.823
225 HG12 ILE 24 2HG1 ILE 24 7.213 3.681 -1.115
226 HG13 ILE 24 1HG1 ILE 24 8.508 4.001 -2.266
227 HG21 ILE 24 1HG2 ILE 24 10.043 1.768 0.239
228 HG22 ILE 24 2HG2 ILE 24 9.201 3.315 0.305
229 HG23 ILE 24 3HG2 ILE 24 10.468 3.054 -0.893
230 HD11 ILE 24 3HD1 ILE 24 7.444 2.885 -3.984
231 HD12 ILE 24 1HD1 ILE 24 6.029 3.413 -3.075
232 HD13 ILE 24 2HD1 ILE 24 6.627 1.766 -2.896
233 H LYS 25 H LYS 25 9.774 -0.855 -1.224
234 HA LYS 25 HA LYS 25 12.313 -0.380 -0.176
235 HB2 LYS 25 2HB LYS 25 11.089 -2.219 0.685
236 HB3 LYS 25 1HB LYS 25 10.863 -2.921 -0.914
237 HG2 LYS 25 2HG LYS 25 13.695 -2.544 -0.111
238 HG3 LYS 25 1HG LYS 25 12.801 -3.722 0.848
239 HD2 LYS 25 2HD LYS 25 12.095 -4.874 -1.224
240 HD3 LYS 25 1HD LYS 25 13.017 -3.714 -2.178
241 HE2 LYS 25 2HE LYS 25 15.084 -4.409 -0.979
242 HE3 LYS 25 1HE LYS 25 14.144 -5.623 -0.110
243 HZ1 LYS 25 3HZ LYS 25 14.072 -6.955 -1.888
244 HZ2 LYS 25 1HZ LYS 25 15.387 -6.045 -2.453
245 HZ3 LYS 25 2HZ LYS 25 13.813 -5.676 -2.977
246 H ASP 26 H ASP 26 11.324 -1.603 -3.326
247 HA ASP 26 HA ASP 26 13.971 -2.308 -4.183
248 HB2 ASP 26 2HB ASP 26 11.759 -3.211 -5.096
249 HB3 ASP 26 1HB ASP 26 11.624 -1.690 -5.978
250 H PHE 27 H PHE 27 11.911 0.533 -4.429
251 HA PHE 27 HA PHE 27 13.265 1.996 -6.371
252 HB2 PHE 27 2HB PHE 27 11.101 2.634 -5.308
253 HB3 PHE 27 1HB PHE 27 11.986 3.088 -3.855
254 HD1 PHE 27 1HD PHE 27 12.188 3.661 -7.564
255 HD2 PHE 27 2HD PHE 27 12.542 5.341 -3.625
256 HE1 PHE 27 1HE PHE 27 12.648 5.885 -8.555
257 HE2 PHE 27 2HE PHE 27 13.001 7.565 -4.618
258 HZ PHE 27 HZ PHE 27 13.055 7.838 -7.083
259 H LEU 28 H LEU 28 13.755 2.096 -2.838
260 HA LEU 28 HA LEU 28 15.886 3.862 -2.743
261 HB2 LEU 28 2HB LEU 28 15.140 1.512 -1.010
262 HB3 LEU 28 1HB LEU 28 16.555 2.501 -0.657
263 HG LEU 28 HG LEU 28 14.945 4.525 -0.834
264 HD11 LEU 28 1HD1 LEU 28 12.999 2.219 -0.558
265 HD12 LEU 28 2HD1 LEU 28 13.032 3.441 -1.828
266 HD13 LEU 28 3HD1 LEU 28 12.588 3.892 -0.184
267 HD21 LEU 28 3HD2 LEU 28 15.877 3.864 1.292
268 HD22 LEU 28 1HD2 LEU 28 14.785 2.483 1.399
269 HD23 LEU 28 2HD2 LEU 28 14.149 4.123 1.530
270 H ARG 29 H ARG 29 15.842 0.474 -3.645
271 HA ARG 29 HA ARG 29 18.656 0.044 -3.486
272 HB2 ARG 29 2HB ARG 29 16.694 -1.674 -3.646
273 HB3 ARG 29 1HB ARG 29 16.880 -1.459 -5.387
274 HG2 ARG 29 2HG ARG 29 19.274 -2.041 -5.203
275 HG3 ARG 29 1HG ARG 29 19.085 -2.263 -3.464
276 HD2 ARG 29 2HD ARG 29 17.142 -3.906 -4.215
277 HD3 ARG 29 1HD ARG 29 18.070 -3.965 -5.711
278 HE ARG 29 HE ARG 29 19.941 -4.392 -3.760
279 HH11 ARG 29 1HH2 ARG 29 16.890 -5.775 -4.619
280 HH12 ARG 29 2HH2 ARG 29 17.286 -7.358 -4.035
281 HH21 ARG 29 1HH1 ARG 29 20.469 -6.463 -2.988
282 HH22 ARG 29 2HH1 ARG 29 19.313 -7.747 -3.110
283 H ASN 30 H ASN 30 16.475 0.982 -6.125
284 HA ASN 30 HA ASN 30 18.718 1.223 -7.986
285 HB2 ASN 30 2HB ASN 30 15.782 1.837 -8.394
286 HB3 ASN 30 1HB ASN 30 17.014 1.735 -9.651
287 HD21 ASN 30 1HD2 ASN 30 15.324 -0.232 -7.176
288 HD22 ASN 30 2HD2 ASN 30 15.585 -1.715 -7.958
289 H LEU 31 H LEU 31 17.698 3.039 -5.538
290 HA LEU 31 HA LEU 31 17.588 5.631 -6.844
291 HB2 LEU 31 2HB LEU 31 16.361 4.825 -4.675
292 HB3 LEU 31 1HB LEU 31 17.877 5.238 -3.881
293 HG LEU 31 HG LEU 31 17.723 7.522 -4.906
294 HD11 LEU 31 1HD1 LEU 31 15.298 6.262 -6.096
295 HD12 LEU 31 2HD1 LEU 31 16.337 7.534 -6.739
296 HD13 LEU 31 3HD1 LEU 31 15.116 7.924 -5.531
297 HD21 LEU 31 3HD2 LEU 31 16.953 7.098 -2.606
298 HD22 LEU 31 1HD2 LEU 31 15.365 6.629 -3.213
299 HD23 LEU 31 2HD2 LEU 31 15.919 8.295 -3.386
300 H VAL 32 H VAL 32 19.672 4.231 -4.297
301 HA VAL 32 HA VAL 32 21.684 6.198 -4.503
302 HB VAL 32 HB VAL 32 22.940 4.870 -3.026
303 HG11 VAL 32 1HG1 VAL 32 20.121 3.869 -2.567
304 HG12 VAL 32 2HG1 VAL 32 20.611 5.529 -2.227
305 HG13 VAL 32 3HG1 VAL 32 21.363 4.191 -1.357
306 HG21 VAL 32 3HG2 VAL 32 22.340 2.368 -2.785
307 HG22 VAL 32 1HG2 VAL 32 23.233 2.841 -4.230
308 HG23 VAL 32 2HG2 VAL 32 21.497 2.550 -4.323
309 HA PRO 33 HA PRO 33 23.523 4.766 -8.311
310 HB2 PRO 33 2HB PRO 33 25.752 6.350 -8.291
311 HB3 PRO 33 1HB PRO 33 24.139 6.960 -8.708
312 HG2 PRO 33 2HG PRO 33 25.653 7.205 -6.157
313 HG3 PRO 33 1HG PRO 33 24.618 8.389 -6.975
314 HD2 PRO 33 2HD PRO 33 23.790 6.893 -4.821
315 HD3 PRO 33 1HD PRO 33 22.681 7.531 -6.056
316 H ARG 34 H ARG 34 25.290 4.993 -5.281
317 HA ARG 34 HA ARG 34 26.700 2.487 -5.917
318 HB2 ARG 34 2HB ARG 34 27.972 5.062 -5.001
319 HB3 ARG 34 1HB ARG 34 28.760 3.495 -4.833
320 HG2 ARG 34 2HG ARG 34 28.949 3.186 -7.145
321 HG3 ARG 34 1HG ARG 34 27.672 4.343 -7.510
322 HD2 ARG 34 2HD ARG 34 29.396 6.006 -6.286
323 HD3 ARG 34 1HD ARG 34 30.547 4.827 -6.901
324 HE ARG 34 HE ARG 34 29.499 6.847 -8.421
325 HH11 ARG 34 1HH2 ARG 34 29.381 3.380 -8.551
326 HH12 ARG 34 2HH2 ARG 34 29.101 3.327 -10.256
327 HH21 ARG 34 1HH1 ARG 34 29.147 6.766 -10.648
328 HH22 ARG 34 2HH1 ARG 34 28.974 5.236 -11.442
329 H THR 35 H THR 35 26.268 1.099 -4.336
330 HA THR 35 HA THR 35 25.145 1.903 -1.835
331 HB THR 35 HB THR 35 24.674 -0.311 -1.573
332 HG1 THR 35 1HG THR 35 27.348 -0.604 -2.317
333 HG21 THR 35 3HG2 THR 35 25.726 -0.636 -4.379
334 HG22 THR 35 1HG2 THR 35 24.282 0.318 -4.037
335 HG23 THR 35 2HG2 THR 35 24.318 -1.401 -3.643
336 H GLU 36 H GLU 36 26.370 0.209 -0.009
337 HA GLU 36 HA GLU 36 28.608 1.787 0.800
338 HB2 GLU 36 2HB GLU 36 27.278 -0.696 1.855
339 HB3 GLU 36 1HB GLU 36 28.797 -0.125 2.549
340 HG2 GLU 36 2HG GLU 36 27.804 2.049 3.032
341 HG3 GLU 36 1HG GLU 36 26.304 1.570 2.245
342 H SER 37 H SER 37 30.745 1.440 0.550
343 HA SER 37 HA SER 37 31.648 -0.436 -1.400
344 HB2 SER 37 2HB SER 37 33.276 1.186 0.570
345 HB3 SER 37 1HB SER 37 33.873 0.420 -0.901
346 HG SER 37 HG SER 37 33.336 2.248 -1.790
Start of MODEL 2
1 H1 LEU 1 1HT LEU 1 -24.094 5.113 3.887
2 H2 LEU 1 2HT LEU 1 -22.840 6.061 3.239
3 H3 LEU 1 3HT LEU 1 -22.948 5.822 4.917
4 HA LEU 1 HA LEU 1 -22.644 3.382 4.486
5 HB2 LEU 1 2HB LEU 1 -21.611 4.397 1.828
6 HB3 LEU 1 1HB LEU 1 -21.774 2.721 2.353
7 HG LEU 1 HG LEU 1 -24.058 4.662 1.890
8 HD11 LEU 1 2HD1 LEU 1 -23.024 2.272 0.343
9 HD12 LEU 1 3HD1 LEU 1 -23.143 3.939 -0.219
10 HD13 LEU 1 1HD1 LEU 1 -24.606 2.996 0.064
11 HD21 LEU 1 1HD2 LEU 1 -23.906 1.833 2.938
12 HD22 LEU 1 2HD2 LEU 1 -25.361 2.423 2.134
13 HD23 LEU 1 3HD2 LEU 1 -24.787 3.208 3.605
14 H LEU 2 H LEU 2 -21.533 5.813 5.670
15 HA LEU 2 HA LEU 2 -18.753 5.942 5.008
16 HB2 LEU 2 2HB LEU 2 -20.337 7.686 6.236
17 HB3 LEU 2 1HB LEU 2 -19.768 6.843 7.673
18 HG LEU 2 HG LEU 2 -18.332 8.776 7.185
19 HD11 LEU 2 1HD1 LEU 2 -16.292 7.690 7.501
20 HD12 LEU 2 2HD1 LEU 2 -16.701 6.381 6.400
21 HD13 LEU 2 3HD1 LEU 2 -17.445 6.452 7.994
22 HD21 LEU 2 3HD2 LEU 2 -17.478 9.261 5.124
23 HD22 LEU 2 1HD2 LEU 2 -18.798 8.247 4.547
24 HD23 LEU 2 2HD2 LEU 2 -17.180 7.569 4.731
25 H GLY 3 H GLY 3 -20.632 4.415 7.561
26 HA2 GLY 3 2HA GLY 3 -18.515 3.343 9.059
27 HA3 GLY 3 1HA GLY 3 -20.129 2.636 8.949
28 H ASP 4 H ASP 4 -20.107 2.283 6.115
29 HA ASP 4 HA ASP 4 -18.777 -0.259 5.940
30 HB2 ASP 4 2HB ASP 4 -20.989 0.472 4.831
31 HB3 ASP 4 1HB ASP 4 -19.974 1.254 3.624
32 H PHE 5 H PHE 5 -18.098 3.003 5.003
33 HA PHE 5 HA PHE 5 -16.107 2.522 3.025
34 HB2 PHE 5 2HB PHE 5 -17.262 4.696 3.396
35 HB3 PHE 5 1HB PHE 5 -16.400 4.861 4.911
36 HD1 PHE 5 1HD PHE 5 -16.038 4.794 1.240
37 HD2 PHE 5 2HD PHE 5 -14.054 5.384 5.002
38 HE1 PHE 5 1HE PHE 5 -14.085 5.760 0.059
39 HE2 PHE 5 2HE PHE 5 -12.100 6.350 3.825
40 HZ PHE 5 HZ PHE 5 -12.114 6.539 1.349
41 H PHE 6 H PHE 6 -15.984 3.315 6.444
42 HA PHE 6 HA PHE 6 -13.240 3.298 6.855
43 HB2 PHE 6 2HB PHE 6 -15.632 2.759 8.561
44 HB3 PHE 6 1HB PHE 6 -14.049 2.349 9.216
45 HD1 PHE 6 2HD PHE 6 -12.204 4.331 8.525
46 HD2 PHE 6 1HD PHE 6 -16.413 4.843 9.228
47 HE1 PHE 6 2HE PHE 6 -11.821 6.712 9.088
48 HE2 PHE 6 1HE PHE 6 -16.025 7.225 9.794
49 HZ PHE 6 HZ PHE 6 -13.731 8.160 9.723
50 H ARG 7 H ARG 7 -15.511 0.598 6.721
51 HA ARG 7 HA ARG 7 -13.606 -1.389 7.522
52 HB2 ARG 7 2HB ARG 7 -16.237 -1.662 6.046
53 HB3 ARG 7 1HB ARG 7 -15.321 -2.993 6.751
54 HG2 ARG 7 2HG ARG 7 -16.345 -0.609 8.318
55 HG3 ARG 7 1HG ARG 7 -17.171 -2.165 8.232
56 HD2 ARG 7 2HD ARG 7 -14.632 -2.941 8.925
57 HD3 ARG 7 1HD ARG 7 -14.753 -1.393 9.754
58 HE ARG 7 HE ARG 7 -15.828 -3.717 10.726
59 HH11 ARG 7 1HH2 ARG 7 -17.124 -0.667 9.699
60 HH12 ARG 7 2HH2 ARG 7 -18.533 -0.784 10.695
61 HH21 ARG 7 1HH1 ARG 7 -17.666 -3.859 12.032
62 HH22 ARG 7 2HH1 ARG 7 -18.838 -2.584 12.015
63 H LYS 8 H LYS 8 -14.646 -0.001 4.471
64 HA LYS 8 HA LYS 8 -13.405 -1.956 2.794
65 HB2 LYS 8 2HB LYS 8 -15.253 -0.161 2.258
66 HB3 LYS 8 1HB LYS 8 -13.869 0.873 1.907
67 HG2 LYS 8 2HG LYS 8 -13.012 -0.795 0.310
68 HG3 LYS 8 1HG LYS 8 -14.377 -1.851 0.673
69 HD2 LYS 8 2HD LYS 8 -15.859 0.167 0.000
70 HD3 LYS 8 1HD LYS 8 -14.393 0.816 -0.737
71 HE2 LYS 8 2HE LYS 8 -14.177 -1.441 -1.932
72 HE3 LYS 8 1HE LYS 8 -15.831 -1.756 -1.410
73 HZ1 LYS 8 3HZ LYS 8 -14.959 0.600 -2.993
74 HZ2 LYS 8 1HZ LYS 8 -16.550 0.240 -2.533
75 HZ3 LYS 8 2HZ LYS 8 -15.735 -0.771 -3.629
76 H SER 9 H SER 9 -12.435 1.228 4.026
77 HA SER 9 HA SER 9 -9.956 1.333 2.626
78 HB2 SER 9 2HB SER 9 -10.957 2.765 5.091
79 HB3 SER 9 1HB SER 9 -9.398 3.097 4.342
80 HG SER 9 HG SER 9 -11.490 4.288 3.692
81 H LYS 10 H LYS 10 -10.900 0.230 5.855
82 HA LYS 10 HA LYS 10 -8.474 -0.166 7.068
83 HB2 LYS 10 2HB LYS 10 -11.063 -1.670 7.151
84 HB3 LYS 10 1HB LYS 10 -9.665 -2.334 7.995
85 HG2 LYS 10 2HG LYS 10 -10.365 0.564 8.379
86 HG3 LYS 10 1HG LYS 10 -11.289 -0.664 9.243
87 HD2 LYS 10 2HD LYS 10 -8.290 -0.817 9.292
88 HD3 LYS 10 1HD LYS 10 -9.098 0.363 10.322
89 HE2 LYS 10 2HE LYS 10 -10.264 -1.305 11.521
90 HE3 LYS 10 1HE LYS 10 -9.974 -2.525 10.282
91 HZ1 LYS 10 3HZ LYS 10 -8.504 -2.952 12.075
92 HZ2 LYS 10 1HZ LYS 10 -7.990 -1.336 12.138
93 HZ3 LYS 10 2HZ LYS 10 -7.566 -2.309 10.811
94 H GLU 11 H GLU 11 -10.137 -2.585 5.026
95 HA GLU 11 HA GLU 11 -7.892 -4.344 4.967
96 HB2 GLU 11 2HB GLU 11 -10.312 -4.207 3.155
97 HB3 GLU 11 1HB GLU 11 -9.167 -5.547 3.230
98 HG2 GLU 11 2HG GLU 11 -10.748 -4.548 5.615
99 HG3 GLU 11 1HG GLU 11 -11.247 -5.905 4.606
100 H LYS 12 H LYS 12 -8.918 -1.655 3.032
101 HA LYS 12 HA LYS 12 -7.548 -2.137 0.653
102 HB2 LYS 12 2HB LYS 12 -9.155 -0.236 1.166
103 HB3 LYS 12 1HB LYS 12 -7.795 0.585 1.934
104 HG2 LYS 12 2HG LYS 12 -6.528 0.545 -0.137
105 HG3 LYS 12 1HG LYS 12 -7.774 -0.430 -0.922
106 HD2 LYS 12 2HD LYS 12 -9.400 1.464 -0.431
107 HD3 LYS 12 1HD LYS 12 -8.000 2.434 0.029
108 HE2 LYS 12 2HE LYS 12 -7.030 2.177 -2.185
109 HE3 LYS 12 1HE LYS 12 -8.314 1.065 -2.657
110 HZ1 LYS 12 3HZ LYS 12 -9.254 3.589 -1.634
111 HZ2 LYS 12 1HZ LYS 12 -9.732 2.733 -3.018
112 HZ3 LYS 12 2HZ LYS 12 -8.354 3.724 -3.067
113 H ILE 13 H ILE 13 -6.354 -1.036 3.776
114 HA ILE 13 HA ILE 13 -3.790 -0.235 2.788
115 HB ILE 13 HB ILE 13 -3.232 0.154 5.024
116 HG12 ILE 13 2HG1 ILE 13 -5.003 -0.860 6.800
117 HG13 ILE 13 1HG1 ILE 13 -5.058 -2.125 5.583
118 HG21 ILE 13 1HG2 ILE 13 -6.218 0.408 5.195
119 HG22 ILE 13 2HG2 ILE 13 -5.295 1.383 4.051
120 HG23 ILE 13 3HG2 ILE 13 -4.982 1.520 5.782
121 HD11 ILE 13 3HD1 ILE 13 -2.788 -1.267 7.324
122 HD12 ILE 13 1HD1 ILE 13 -2.403 -1.884 5.718
123 HD13 ILE 13 2HD1 ILE 13 -3.289 -2.891 6.860
124 H GLY 14 H GLY 14 -5.156 -3.161 4.166
125 HA2 GLY 14 2HA GLY 14 -2.869 -4.653 4.661
126 HA3 GLY 14 1HA GLY 14 -4.409 -5.340 4.152
127 H LYS 15 H LYS 15 -4.712 -4.378 1.618
128 HA LYS 15 HA LYS 15 -2.850 -6.020 0.155
129 HB2 LYS 15 2HB LYS 15 -4.874 -4.094 -0.996
130 HB3 LYS 15 1HB LYS 15 -4.169 -5.508 -1.776
131 HG2 LYS 15 2HG LYS 15 -5.771 -6.844 -0.909
132 HG3 LYS 15 1HG LYS 15 -5.389 -6.304 0.724
133 HD2 LYS 15 2HD LYS 15 -6.822 -4.334 0.430
134 HD3 LYS 15 1HD LYS 15 -7.175 -4.822 -1.226
135 HE2 LYS 15 2HE LYS 15 -8.934 -5.458 0.512
136 HE3 LYS 15 1HE LYS 15 -8.347 -6.777 -0.501
137 HZ1 LYS 15 3HZ LYS 15 -7.121 -7.666 1.203
138 HZ2 LYS 15 1HZ LYS 15 -8.457 -7.065 2.057
139 HZ3 LYS 15 2HZ LYS 15 -6.998 -6.195 2.044
140 H GLU 16 H GLU 16 -3.579 -2.533 0.221
141 HA GLU 16 HA GLU 16 -1.589 -1.763 -1.629
142 HB2 GLU 16 2HB GLU 16 -3.088 -0.308 0.538
143 HB3 GLU 16 1HB GLU 16 -1.827 0.500 -0.392
144 HG2 GLU 16 2HG GLU 16 -4.154 0.777 -1.335
145 HG3 GLU 16 1HG GLU 16 -2.984 0.096 -2.463
146 H PHE 17 H PHE 17 -1.550 -1.710 1.947
147 HA PHE 17 HA PHE 17 0.989 -0.707 2.351
148 HB2 PHE 17 2HB PHE 17 -0.650 -1.229 4.154
149 HB3 PHE 17 1HB PHE 17 -0.271 -2.941 3.954
150 HD1 PHE 17 2HD PHE 17 1.910 -3.838 4.602
151 HD2 PHE 17 1HD PHE 17 0.979 0.327 5.096
152 HE1 PHE 17 2HE PHE 17 3.887 -3.570 6.075
153 HE2 PHE 17 1HE PHE 17 2.957 0.594 6.568
154 HZ PHE 17 HZ PHE 17 4.412 -1.355 7.058
155 H LYS 18 H LYS 18 0.050 -4.076 1.721
156 HA LYS 18 HA LYS 18 2.590 -5.239 1.989
157 HB2 LYS 18 2HB LYS 18 0.418 -6.479 1.776
158 HB3 LYS 18 1HB LYS 18 0.430 -6.098 0.054
159 HG2 LYS 18 2HG LYS 18 2.384 -7.378 -0.338
160 HG3 LYS 18 1HG LYS 18 2.786 -7.443 1.377
161 HD2 LYS 18 2HD LYS 18 1.881 -9.595 0.748
162 HD3 LYS 18 1HD LYS 18 0.682 -8.774 1.748
163 HE2 LYS 18 2HE LYS 18 -0.643 -8.188 -0.148
164 HE3 LYS 18 1HE LYS 18 0.646 -8.615 -1.271
165 HZ1 LYS 18 3HZ LYS 18 -0.535 -10.611 0.560
166 HZ2 LYS 18 1HZ LYS 18 0.361 -10.875 -0.857
167 HZ3 LYS 18 2HZ LYS 18 -1.226 -10.278 -0.957
168 H ARG 19 H ARG 19 0.951 -3.970 -0.911
169 HA ARG 19 HA ARG 19 3.087 -4.477 -2.700
170 HB2 ARG 19 2HB ARG 19 0.723 -2.610 -2.757
171 HB3 ARG 19 1HB ARG 19 1.918 -2.607 -4.052
172 HG2 ARG 19 2HG ARG 19 0.764 -5.236 -3.179
173 HG3 ARG 19 1HG ARG 19 -0.219 -4.177 -4.191
174 HD2 ARG 19 2HD ARG 19 1.601 -4.073 -5.855
175 HD3 ARG 19 1HD ARG 19 2.583 -5.134 -4.849
176 HE ARG 19 HE ARG 19 0.280 -6.555 -5.230
177 HH11 ARG 19 1HH2 ARG 19 2.562 -4.948 -7.278
178 HH12 ARG 19 2HH2 ARG 19 2.338 -6.033 -8.610
179 HH21 ARG 19 1HH1 ARG 19 -0.017 -7.982 -6.973
180 HH22 ARG 19 2HH1 ARG 19 0.879 -7.750 -8.436
181 H ILE 20 H ILE 20 2.289 -1.757 -0.612
182 HA ILE 20 HA ILE 20 4.151 0.103 -1.622
183 HB ILE 20 HB ILE 20 2.832 -0.266 1.062
184 HG12 ILE 20 2HG1 ILE 20 2.654 1.993 -0.947
185 HG13 ILE 20 1HG1 ILE 20 1.600 0.581 -1.004
186 HG21 ILE 20 1HG2 ILE 20 4.879 0.743 1.705
187 HG22 ILE 20 2HG2 ILE 20 3.766 2.096 1.506
188 HG23 ILE 20 3HG2 ILE 20 4.945 1.732 0.245
189 HD11 ILE 20 3HD1 ILE 20 0.532 1.133 1.001
190 HD12 ILE 20 1HD1 ILE 20 0.814 2.724 0.296
191 HD13 ILE 20 2HD1 ILE 20 1.879 2.121 1.564
192 H VAL 21 H VAL 21 4.419 -2.239 1.053
193 HA VAL 21 HA VAL 21 7.004 -1.666 1.889
194 HB VAL 21 HB VAL 21 5.549 -4.315 1.759
195 HG11 VAL 21 1HG1 VAL 21 7.854 -4.887 1.922
196 HG12 VAL 21 2HG1 VAL 21 7.255 -4.916 3.579
197 HG13 VAL 21 3HG1 VAL 21 8.191 -3.536 3.005
198 HG21 VAL 21 3HG2 VAL 21 4.950 -3.870 4.018
199 HG22 VAL 21 1HG2 VAL 21 4.683 -2.342 3.176
200 HG23 VAL 21 2HG2 VAL 21 6.131 -2.567 4.157
201 H GLN 22 H GLN 22 5.946 -3.892 -0.679
202 HA GLN 22 HA GLN 22 8.586 -4.690 -1.413
203 HB2 GLN 22 2HB GLN 22 6.242 -5.788 -1.917
204 HB3 GLN 22 1HB GLN 22 6.296 -4.762 -3.350
205 HG2 GLN 22 2HG GLN 22 8.336 -6.845 -2.523
206 HG3 GLN 22 1HG GLN 22 7.269 -6.904 -3.924
207 HE21 GLN 22 1HE2 GLN 22 7.700 -5.317 -5.689
208 HE22 GLN 22 2HE2 GLN 22 9.250 -4.644 -5.854
209 H ARG 23 H ARG 23 6.315 -2.259 -2.630
210 HA ARG 23 HA ARG 23 7.798 -1.430 -4.874
211 HB2 ARG 23 2HB ARG 23 5.401 -0.835 -4.336
212 HB3 ARG 23 1HB ARG 23 6.029 0.334 -3.173
213 HG2 ARG 23 2HG ARG 23 7.376 1.357 -5.036
214 HG3 ARG 23 1HG ARG 23 6.540 0.285 -6.159
215 HD2 ARG 23 2HD ARG 23 4.436 1.369 -4.765
216 HD3 ARG 23 1HD ARG 23 5.562 2.721 -4.799
217 HE ARG 23 HE ARG 23 3.939 2.052 -6.903
218 HH11 ARG 23 1HH2 ARG 23 7.370 2.185 -6.407
219 HH12 ARG 23 2HH2 ARG 23 7.732 2.443 -8.078
220 HH21 ARG 23 1HH1 ARG 23 4.419 2.398 -9.084
221 HH22 ARG 23 2HH1 ARG 23 6.066 2.567 -9.590
222 H ILE 24 H ILE 24 7.866 -0.366 -1.493
223 HA ILE 24 HA ILE 24 9.600 1.825 -1.808
224 HB ILE 24 HB ILE 24 9.088 -0.031 0.521
225 HG12 ILE 24 2HG1 ILE 24 8.392 2.893 0.165
226 HG13 ILE 24 1HG1 ILE 24 7.319 1.600 -0.373
227 HG21 ILE 24 1HG2 ILE 24 11.280 0.784 0.952
228 HG22 ILE 24 2HG2 ILE 24 10.214 1.877 1.834
229 HG23 ILE 24 3HG2 ILE 24 10.904 2.375 0.288
230 HD11 ILE 24 3HD1 ILE 24 6.745 2.384 1.913
231 HD12 ILE 24 1HD1 ILE 24 8.361 1.930 2.456
232 HD13 ILE 24 2HD1 ILE 24 7.235 0.689 1.902
233 H LYS 25 H LYS 25 10.359 -1.540 -0.868
234 HA LYS 25 HA LYS 25 13.094 -1.350 -0.629
235 HB2 LYS 25 2HB LYS 25 11.412 -3.404 -0.454
236 HB3 LYS 25 1HB LYS 25 11.993 -3.722 -2.086
237 HG2 LYS 25 2HG LYS 25 13.575 -4.892 -0.849
238 HG3 LYS 25 1HG LYS 25 14.370 -3.322 -0.970
239 HD2 LYS 25 2HD LYS 25 13.258 -2.714 1.234
240 HD3 LYS 25 1HD LYS 25 12.779 -4.406 1.366
241 HE2 LYS 25 2HE LYS 25 15.610 -3.340 1.173
242 HE3 LYS 25 1HE LYS 25 14.863 -4.094 2.580
243 HZ1 LYS 25 3HZ LYS 25 16.280 -5.618 1.282
244 HZ2 LYS 25 1HZ LYS 25 15.232 -5.439 -0.040
245 HZ3 LYS 25 2HZ LYS 25 14.670 -6.147 1.399
246 H ASP 26 H ASP 26 11.162 -1.551 -3.569
247 HA ASP 26 HA ASP 26 13.416 -1.798 -5.333
248 HB2 ASP 26 2HB ASP 26 10.945 -2.447 -5.766
249 HB3 ASP 26 1HB ASP 26 10.713 -0.741 -6.136
250 H PHE 27 H PHE 27 11.626 0.812 -3.875
251 HA PHE 27 HA PHE 27 12.304 2.924 -5.577
252 HB2 PHE 27 2HB PHE 27 10.705 2.906 -3.558
253 HB3 PHE 27 1HB PHE 27 12.138 3.230 -2.586
254 HD1 PHE 27 1HD PHE 27 10.509 4.425 -5.748
255 HD2 PHE 27 2HD PHE 27 12.727 5.462 -2.218
256 HE1 PHE 27 1HE PHE 27 10.382 6.822 -6.372
257 HE2 PHE 27 2HE PHE 27 12.599 7.859 -2.843
258 HZ PHE 27 HZ PHE 27 11.427 8.538 -4.921
259 H LEU 28 H LEU 28 14.002 1.858 -2.595
260 HA LEU 28 HA LEU 28 16.104 3.652 -2.663
261 HB2 LEU 28 2HB LEU 28 16.325 0.726 -1.918
262 HB3 LEU 28 1HB LEU 28 17.394 2.023 -1.400
263 HG LEU 28 HG LEU 28 15.899 1.648 0.412
264 HD11 LEU 28 1HD1 LEU 28 14.932 3.775 0.718
265 HD12 LEU 28 2HD1 LEU 28 14.585 3.959 -1.000
266 HD13 LEU 28 3HD1 LEU 28 16.248 4.064 -0.420
267 HD21 LEU 28 3HD2 LEU 28 13.377 2.180 -1.007
268 HD22 LEU 28 1HD2 LEU 28 13.737 0.994 0.243
269 HD23 LEU 28 2HD2 LEU 28 14.144 0.651 -1.437
270 H ARG 29 H ARG 29 15.678 0.686 -4.522
271 HA ARG 29 HA ARG 29 18.305 0.768 -5.683
272 HB2 ARG 29 2HB ARG 29 16.864 -1.305 -5.414
273 HB3 ARG 29 1HB ARG 29 15.886 -0.697 -6.749
274 HG2 ARG 29 2HG ARG 29 17.404 -2.034 -7.900
275 HG3 ARG 29 1HG ARG 29 18.223 -0.475 -7.966
276 HD2 ARG 29 2HD ARG 29 19.961 -1.789 -7.192
277 HD3 ARG 29 1HD ARG 29 19.250 -1.315 -5.653
278 HE ARG 29 HE ARG 29 17.920 -3.614 -6.303
279 HH11 ARG 29 1HH2 ARG 29 21.236 -2.661 -6.042
280 HH12 ARG 29 2HH2 ARG 29 21.793 -4.229 -5.562
281 HH21 ARG 29 1HH1 ARG 29 18.644 -5.674 -5.675
282 HH22 ARG 29 2HH1 ARG 29 20.326 -5.934 -5.355
283 H ASN 30 H ASN 30 15.172 2.091 -6.461
284 HA ASN 30 HA ASN 30 16.116 2.959 -9.110
285 HB2 ASN 30 2HB ASN 30 13.389 2.924 -7.813
286 HB3 ASN 30 1HB ASN 30 13.710 3.717 -9.355
287 HD21 ASN 30 1HD2 ASN 30 14.634 0.540 -7.888
288 HD22 ASN 30 2HD2 ASN 30 14.202 -0.370 -9.254
289 H LEU 31 H LEU 31 16.362 4.079 -6.058
290 HA LEU 31 HA LEU 31 15.439 6.761 -6.286
291 HB2 LEU 31 2HB LEU 31 16.989 5.174 -4.365
292 HB3 LEU 31 1HB LEU 31 17.529 6.848 -4.459
293 HG LEU 31 HG LEU 31 14.663 5.957 -4.005
294 HD11 LEU 31 1HD1 LEU 31 14.973 6.263 -1.746
295 HD12 LEU 31 2HD1 LEU 31 16.208 7.499 -1.971
296 HD13 LEU 31 3HD1 LEU 31 16.622 5.798 -2.157
297 HD21 LEU 31 3HD2 LEU 31 14.242 8.047 -4.815
298 HD22 LEU 31 1HD2 LEU 31 15.926 8.549 -4.664
299 HD23 LEU 31 2HD2 LEU 31 14.859 8.606 -3.262
300 H VAL 32 H VAL 32 17.983 5.134 -7.769
301 HA VAL 32 HA VAL 32 19.614 7.559 -8.092
302 HB VAL 32 HB VAL 32 21.108 5.835 -9.355
303 HG11 VAL 32 1HG1 VAL 32 20.627 5.701 -6.363
304 HG12 VAL 32 2HG1 VAL 32 21.695 6.829 -7.197
305 HG13 VAL 32 3HG1 VAL 32 22.073 5.107 -7.181
306 HG21 VAL 32 3HG2 VAL 32 19.373 3.997 -7.673
307 HG22 VAL 32 1HG2 VAL 32 20.777 3.523 -8.629
308 HG23 VAL 32 2HG2 VAL 32 19.314 4.091 -9.432
309 HA PRO 33 HA PRO 33 17.475 7.776 -12.084
310 HB2 PRO 33 2HB PRO 33 17.916 10.398 -12.567
311 HB3 PRO 33 1HB PRO 33 16.715 9.855 -11.378
312 HG2 PRO 33 2HG PRO 33 19.459 10.921 -10.943
313 HG3 PRO 33 1HG PRO 33 17.981 11.189 -10.004
314 HD2 PRO 33 2HD PRO 33 19.993 9.385 -9.314
315 HD3 PRO 33 1HD PRO 33 18.319 9.317 -8.717
316 H ARG 34 H ARG 34 20.730 8.919 -11.351
317 HA ARG 34 HA ARG 34 21.772 9.441 -13.846
318 HB2 ARG 34 2HB ARG 34 23.162 7.949 -11.606
319 HB3 ARG 34 1HB ARG 34 23.950 8.804 -12.932
320 HG2 ARG 34 2HG ARG 34 23.186 10.923 -12.160
321 HG3 ARG 34 1HG ARG 34 22.024 10.185 -11.058
322 HD2 ARG 34 2HD ARG 34 24.014 11.010 -9.845
323 HD3 ARG 34 1HD ARG 34 23.859 9.260 -9.714
324 HE ARG 34 HE ARG 34 25.486 9.608 -11.885
325 HH11 ARG 34 1HH2 ARG 34 25.463 10.713 -8.605
326 HH12 ARG 34 2HH2 ARG 34 27.189 10.800 -8.477
327 HH21 ARG 34 1HH1 ARG 34 27.749 9.719 -11.724
328 HH22 ARG 34 2HH1 ARG 34 28.482 10.237 -10.243
329 H THR 35 H THR 35 20.440 6.526 -12.776
330 HA THR 35 HA THR 35 22.043 4.734 -14.360
331 HB THR 35 HB THR 35 19.270 4.021 -13.492
332 HG1 THR 35 1HG THR 35 20.982 3.628 -11.497
333 HG21 THR 35 3HG2 THR 35 20.169 1.880 -13.277
334 HG22 THR 35 1HG2 THR 35 21.795 2.485 -12.967
335 HG23 THR 35 2HG2 THR 35 21.137 2.525 -14.603
336 H GLU 36 H GLU 36 19.743 3.235 -15.384
337 HA GLU 36 HA GLU 36 19.644 4.291 -17.998
338 HB2 GLU 36 2HB GLU 36 17.903 2.233 -16.625
339 HB3 GLU 36 1HB GLU 36 17.853 2.579 -18.355
340 HG2 GLU 36 2HG GLU 36 20.051 1.792 -18.700
341 HG3 GLU 36 1HG GLU 36 20.451 1.897 -16.986
342 H SER 37 H SER 37 18.026 5.360 -19.124
343 HA SER 37 HA SER 37 16.346 7.096 -17.530
344 HB2 SER 37 2HB SER 37 17.486 7.981 -19.507
345 HB3 SER 37 1HB SER 37 16.647 6.819 -20.530
346 HG SER 37 HG SER 37 15.823 9.184 -19.930
Start of MODEL 3
1 H1 LEU 1 1HT LEU 1 -25.580 2.153 5.862
2 H2 LEU 1 2HT LEU 1 -24.736 3.200 4.823
3 H3 LEU 1 3HT LEU 1 -24.476 3.271 6.501
4 HA LEU 1 HA LEU 1 -23.599 0.979 6.430
5 HB2 LEU 1 2HB LEU 1 -22.872 0.300 4.049
6 HB3 LEU 1 1HB LEU 1 -24.571 0.081 4.465
7 HG LEU 1 HG LEU 1 -23.813 2.728 3.316
8 HD11 LEU 1 2HD1 LEU 1 -23.838 0.143 1.740
9 HD12 LEU 1 3HD1 LEU 1 -22.551 1.346 1.815
10 HD13 LEU 1 1HD1 LEU 1 -24.066 1.724 0.994
11 HD21 LEU 1 1HD2 LEU 1 -26.087 0.893 2.548
12 HD22 LEU 1 2HD2 LEU 1 -26.015 2.653 2.448
13 HD23 LEU 1 3HD2 LEU 1 -26.156 1.864 4.018
14 H LEU 2 H LEU 2 -22.914 3.796 6.729
15 HA LEU 2 HA LEU 2 -20.534 4.320 5.230
16 HB2 LEU 2 2HB LEU 2 -22.161 5.946 6.570
17 HB3 LEU 2 1HB LEU 2 -21.020 5.627 7.873
18 HG LEU 2 HG LEU 2 -20.330 7.622 6.637
19 HD11 LEU 2 1HD1 LEU 2 -18.072 7.064 6.414
20 HD12 LEU 2 2HD1 LEU 2 -18.424 5.485 5.727
21 HD13 LEU 2 3HD1 LEU 2 -18.665 5.767 7.448
22 HD21 LEU 2 3HD2 LEU 2 -19.672 6.136 4.150
23 HD22 LEU 2 1HD2 LEU 2 -20.275 7.779 4.356
24 HD23 LEU 2 2HD2 LEU 2 -21.391 6.417 4.425
25 H GLY 3 H GLY 3 -21.216 3.146 8.477
26 HA2 GLY 3 2HA GLY 3 -18.593 2.943 9.435
27 HA3 GLY 3 1HA GLY 3 -19.927 1.902 9.940
28 H ASP 4 H ASP 4 -20.485 0.881 7.321
29 HA ASP 4 HA ASP 4 -18.616 -1.294 7.236
30 HB2 ASP 4 2HB ASP 4 -21.093 -1.403 6.682
31 HB3 ASP 4 1HB ASP 4 -20.704 -0.599 5.165
32 H PHE 5 H PHE 5 -19.127 1.671 5.473
33 HA PHE 5 HA PHE 5 -17.468 1.125 3.228
34 HB2 PHE 5 2HB PHE 5 -19.145 2.958 3.346
35 HB3 PHE 5 1HB PHE 5 -18.128 3.774 4.513
36 HD1 PHE 5 2HD PHE 5 -17.614 2.068 1.203
37 HD2 PHE 5 1HD PHE 5 -16.862 5.515 3.653
38 HE1 PHE 5 2HE PHE 5 -16.287 3.082 -0.626
39 HE2 PHE 5 1HE PHE 5 -15.537 6.528 1.826
40 HZ PHE 5 HZ PHE 5 -15.247 5.312 -0.319
41 H PHE 6 H PHE 6 -16.978 2.919 6.210
42 HA PHE 6 HA PHE 6 -14.286 3.607 5.866
43 HB2 PHE 6 2HB PHE 6 -16.182 3.405 8.131
44 HB3 PHE 6 1HB PHE 6 -14.476 3.318 8.571
45 HD1 PHE 6 1HD PHE 6 -16.092 5.172 5.759
46 HD2 PHE 6 2HD PHE 6 -13.998 5.439 9.496
47 HE1 PHE 6 1HE PHE 6 -15.895 7.628 5.473
48 HE2 PHE 6 2HE PHE 6 -13.800 7.895 9.214
49 HZ PHE 6 HZ PHE 6 -14.748 8.990 7.201
50 H ARG 7 H ARG 7 -15.685 0.809 7.582
51 HA ARG 7 HA ARG 7 -13.291 -0.431 8.318
52 HB2 ARG 7 2HB ARG 7 -15.914 -1.739 7.556
53 HB3 ARG 7 1HB ARG 7 -14.616 -2.496 8.477
54 HG2 ARG 7 2HG ARG 7 -15.604 0.123 9.502
55 HG3 ARG 7 1HG ARG 7 -16.709 -1.241 9.654
56 HD2 ARG 7 2HD ARG 7 -14.912 -2.545 10.770
57 HD3 ARG 7 1HD ARG 7 -13.855 -1.138 10.671
58 HE ARG 7 HE ARG 7 -16.069 -0.184 11.953
59 HH11 ARG 7 1HH2 ARG 7 -13.936 -2.874 12.387
60 HH12 ARG 7 2HH2 ARG 7 -14.115 -2.916 14.109
61 HH21 ARG 7 1HH1 ARG 7 -16.309 -0.231 14.211
62 HH22 ARG 7 2HH1 ARG 7 -15.459 -1.419 15.142
63 H LYS 8 H LYS 8 -15.080 -0.492 5.286
64 HA LYS 8 HA LYS 8 -13.628 -2.610 4.069
65 HB2 LYS 8 2HB LYS 8 -15.882 -1.549 3.363
66 HB3 LYS 8 1HB LYS 8 -14.891 -0.343 2.541
67 HG2 LYS 8 2HG LYS 8 -13.804 -2.058 1.212
68 HG3 LYS 8 1HG LYS 8 -14.616 -3.334 2.121
69 HD2 LYS 8 2HD LYS 8 -16.819 -2.316 1.359
70 HD3 LYS 8 1HD LYS 8 -15.878 -1.309 0.259
71 HE2 LYS 8 2HE LYS 8 -15.035 -3.223 -0.914
72 HE3 LYS 8 1HE LYS 8 -15.658 -4.327 0.313
73 HZ1 LYS 8 3HZ LYS 8 -17.009 -4.087 -1.791
74 HZ2 LYS 8 1HZ LYS 8 -17.431 -2.540 -1.240
75 HZ3 LYS 8 2HZ LYS 8 -17.853 -3.910 -0.327
76 H SER 9 H SER 9 -13.319 0.933 3.868
77 HA SER 9 HA SER 9 -11.169 1.028 2.075
78 HB2 SER 9 2HB SER 9 -11.546 2.960 4.360
79 HB3 SER 9 1HB SER 9 -10.860 3.276 2.768
80 HG SER 9 HG SER 9 -12.817 3.746 2.192
81 H LYS 10 H LYS 10 -11.254 0.582 5.572
82 HA LYS 10 HA LYS 10 -8.588 0.934 6.221
83 HB2 LYS 10 2HB LYS 10 -10.883 -0.236 7.439
84 HB3 LYS 10 1HB LYS 10 -9.566 -1.395 7.603
85 HG2 LYS 10 2HG LYS 10 -9.384 0.006 9.512
86 HG3 LYS 10 1HG LYS 10 -8.139 0.592 8.409
87 HD2 LYS 10 2HD LYS 10 -9.965 2.230 7.553
88 HD3 LYS 10 1HD LYS 10 -10.822 1.821 9.040
89 HE2 LYS 10 2HE LYS 10 -7.979 2.870 8.920
90 HE3 LYS 10 1HE LYS 10 -9.396 3.847 9.298
91 HZ1 LYS 10 3HZ LYS 10 -9.696 2.810 11.300
92 HZ2 LYS 10 1HZ LYS 10 -8.004 2.776 11.193
93 HZ3 LYS 10 2HZ LYS 10 -8.905 1.385 10.821
94 H GLU 11 H GLU 11 -10.169 -1.947 4.870
95 HA GLU 11 HA GLU 11 -7.786 -3.519 4.852
96 HB2 GLU 11 2HB GLU 11 -10.341 -3.861 3.270
97 HB3 GLU 11 1HB GLU 11 -9.079 -5.079 3.456
98 HG2 GLU 11 2HG GLU 11 -10.381 -3.837 5.875
99 HG3 GLU 11 1HG GLU 11 -11.144 -5.187 5.039
100 H LYS 12 H LYS 12 -9.354 -1.404 2.554
101 HA LYS 12 HA LYS 12 -7.984 -2.115 0.230
102 HB2 LYS 12 2HB LYS 12 -9.076 0.546 1.148
103 HB3 LYS 12 1HB LYS 12 -8.382 0.300 -0.451
104 HG2 LYS 12 2HG LYS 12 -10.505 -1.588 0.534
105 HG3 LYS 12 1HG LYS 12 -10.977 -0.007 -0.086
106 HD2 LYS 12 2HD LYS 12 -9.611 -0.524 -2.162
107 HD3 LYS 12 1HD LYS 12 -9.446 -2.172 -1.552
108 HE2 LYS 12 2HE LYS 12 -11.909 -0.745 -2.508
109 HE3 LYS 12 1HE LYS 12 -11.342 -2.369 -2.896
110 HZ1 LYS 12 3HZ LYS 12 -12.595 -1.426 -0.385
111 HZ2 LYS 12 1HZ LYS 12 -11.758 -2.897 -0.483
112 HZ3 LYS 12 2HZ LYS 12 -13.140 -2.644 -1.437
113 H ILE 13 H ILE 13 -6.920 -0.223 3.000
114 HA ILE 13 HA ILE 13 -4.609 0.814 1.655
115 HB ILE 13 HB ILE 13 -4.273 2.031 3.536
116 HG12 ILE 13 2HG1 ILE 13 -5.174 -0.284 5.269
117 HG13 ILE 13 1HG1 ILE 13 -3.500 0.044 4.843
118 HG21 ILE 13 1HG2 ILE 13 -6.303 2.635 4.566
119 HG22 ILE 13 2HG2 ILE 13 -6.947 0.999 4.448
120 HG23 ILE 13 3HG2 ILE 13 -6.790 1.991 2.999
121 HD11 ILE 13 3HD1 ILE 13 -5.346 1.883 6.383
122 HD12 ILE 13 1HD1 ILE 13 -3.714 2.305 5.865
123 HD13 ILE 13 2HD1 ILE 13 -3.960 1.004 7.030
124 H GLY 14 H GLY 14 -5.159 -1.690 4.115
125 HA2 GLY 14 2HA GLY 14 -2.626 -2.625 4.536
126 HA3 GLY 14 1HA GLY 14 -4.034 -3.681 4.479
127 H LYS 15 H LYS 15 -4.646 -3.132 1.687
128 HA LYS 15 HA LYS 15 -2.878 -5.074 0.507
129 HB2 LYS 15 2HB LYS 15 -5.347 -4.879 0.022
130 HB3 LYS 15 1HB LYS 15 -4.987 -3.410 -0.884
131 HG2 LYS 15 2HG LYS 15 -3.302 -5.751 -1.588
132 HG3 LYS 15 1HG LYS 15 -5.010 -5.916 -1.988
133 HD2 LYS 15 2HD LYS 15 -4.987 -4.056 -3.425
134 HD3 LYS 15 1HD LYS 15 -3.515 -3.401 -2.711
135 HE2 LYS 15 2HE LYS 15 -3.415 -4.649 -5.040
136 HE3 LYS 15 1HE LYS 15 -2.134 -4.890 -3.850
137 HZ1 LYS 15 3HZ LYS 15 -3.415 -6.895 -4.973
138 HZ2 LYS 15 1HZ LYS 15 -4.466 -6.633 -3.669
139 HZ3 LYS 15 2HZ LYS 15 -2.826 -6.975 -3.382
140 H GLU 16 H GLU 16 -3.584 -1.621 -0.157
141 HA GLU 16 HA GLU 16 -1.529 -1.419 -2.135
142 HB2 GLU 16 2HB GLU 16 -2.177 0.797 -2.368
143 HB3 GLU 16 1HB GLU 16 -3.654 0.076 -1.729
144 HG2 GLU 16 2HG GLU 16 -2.706 0.685 0.596
145 HG3 GLU 16 1HG GLU 16 -1.599 1.728 -0.279
146 H PHE 17 H PHE 17 -1.702 -0.985 1.332
147 HA PHE 17 HA PHE 17 0.756 0.425 1.610
148 HB2 PHE 17 2HB PHE 17 -1.250 -0.043 3.322
149 HB3 PHE 17 1HB PHE 17 -0.183 -1.356 3.812
150 HD1 PHE 17 1HD PHE 17 -0.320 2.327 3.235
151 HD2 PHE 17 2HD PHE 17 1.751 -0.928 5.124
152 HE1 PHE 17 1HE PHE 17 1.062 3.945 4.505
153 HE2 PHE 17 2HE PHE 17 3.133 0.690 6.394
154 HZ PHE 17 HZ PHE 17 2.792 3.127 6.085
155 H LYS 18 H LYS 18 -0.143 -2.968 1.433
156 HA LYS 18 HA LYS 18 2.354 -4.043 2.264
157 HB2 LYS 18 2HB LYS 18 0.124 -5.281 2.002
158 HB3 LYS 18 1HB LYS 18 0.488 -5.338 0.277
159 HG2 LYS 18 2HG LYS 18 2.515 -6.573 0.657
160 HG3 LYS 18 1HG LYS 18 2.415 -6.317 2.398
161 HD2 LYS 18 2HD LYS 18 1.604 -8.504 2.142
162 HD3 LYS 18 1HD LYS 18 0.129 -7.544 2.226
163 HE2 LYS 18 2HE LYS 18 -0.079 -7.558 -0.198
164 HE3 LYS 18 1HE LYS 18 1.476 -8.373 -0.361
165 HZ1 LYS 18 3HZ LYS 18 0.079 -9.952 1.360
166 HZ2 LYS 18 1HZ LYS 18 0.315 -10.250 -0.293
167 HZ3 LYS 18 2HZ LYS 18 -1.098 -9.468 0.235
168 H ARG 19 H ARG 19 1.106 -2.739 -0.711
169 HA ARG 19 HA ARG 19 3.096 -3.743 -2.472
170 HB2 ARG 19 2HB ARG 19 0.882 -2.755 -3.153
171 HB3 ARG 19 1HB ARG 19 1.542 -1.167 -2.764
172 HG2 ARG 19 2HG ARG 19 3.225 -1.343 -4.448
173 HG3 ARG 19 1HG ARG 19 2.917 -3.065 -4.674
174 HD2 ARG 19 2HD ARG 19 1.900 -1.289 -6.357
175 HD3 ARG 19 1HD ARG 19 0.967 -2.703 -5.876
176 HE ARG 19 HE ARG 19 0.299 -0.823 -4.009
177 HH11 ARG 19 1HH2 ARG 19 0.361 -0.961 -7.465
178 HH12 ARG 19 2HH2 ARG 19 -0.967 0.132 -7.671
179 HH21 ARG 19 1HH1 ARG 19 -1.443 0.611 -4.269
180 HH22 ARG 19 2HH1 ARG 19 -1.988 1.022 -5.861
181 H ILE 20 H ILE 20 2.837 -0.687 -0.630
182 HA ILE 20 HA ILE 20 5.138 0.522 -1.689
183 HB ILE 20 HB ILE 20 5.113 2.001 0.217
184 HG12 ILE 20 2HG1 ILE 20 2.891 0.708 1.650
185 HG13 ILE 20 1HG1 ILE 20 4.389 -0.203 1.731
186 HG21 ILE 20 1HG2 ILE 20 3.339 2.232 -1.499
187 HG22 ILE 20 2HG2 ILE 20 2.801 2.777 0.089
188 HG23 ILE 20 3HG2 ILE 20 2.287 1.205 -0.525
189 HD11 ILE 20 3HD1 ILE 20 5.575 1.684 2.640
190 HD12 ILE 20 1HD1 ILE 20 4.092 1.495 3.574
191 HD13 ILE 20 2HD1 ILE 20 4.203 2.752 2.343
192 H VAL 21 H VAL 21 4.751 -1.886 0.830
193 HA VAL 21 HA VAL 21 7.323 -1.744 1.970
194 HB VAL 21 HB VAL 21 5.484 -4.125 1.633
195 HG11 VAL 21 1HG1 VAL 21 6.820 -4.934 3.661
196 HG12 VAL 21 2HG1 VAL 21 7.998 -3.685 3.257
197 HG13 VAL 21 3HG1 VAL 21 7.661 -4.982 2.111
198 HG21 VAL 21 3HG2 VAL 21 5.909 -2.132 3.882
199 HG22 VAL 21 1HG2 VAL 21 4.931 -3.593 4.017
200 HG23 VAL 21 2HG2 VAL 21 4.455 -2.313 2.901
201 H GLN 22 H GLN 22 6.073 -3.756 -0.689
202 HA GLN 22 HA GLN 22 8.590 -4.976 -1.262
203 HB2 GLN 22 2HB GLN 22 6.458 -6.017 -1.903
204 HB3 GLN 22 1HB GLN 22 6.132 -4.678 -3.006
205 HG2 GLN 22 2HG GLN 22 7.998 -5.248 -4.395
206 HG3 GLN 22 1HG GLN 22 8.621 -6.386 -3.201
207 HE21 GLN 22 1HE2 GLN 22 5.320 -6.781 -3.118
208 HE22 GLN 22 2HE2 GLN 22 5.164 -8.038 -4.246
209 H ARG 23 H ARG 23 6.806 -2.245 -2.664
210 HA ARG 23 HA ARG 23 8.526 -1.702 -4.810
211 HB2 ARG 23 2HB ARG 23 6.318 -0.671 -4.602
212 HB3 ARG 23 1HB ARG 23 6.857 0.223 -3.181
213 HG2 ARG 23 2HG ARG 23 8.380 1.535 -4.441
214 HG3 ARG 23 1HG ARG 23 8.288 0.450 -5.830
215 HD2 ARG 23 2HD ARG 23 6.903 2.748 -5.732
216 HD3 ARG 23 1HD ARG 23 6.280 1.318 -6.552
217 HE ARG 23 HE ARG 23 5.387 1.023 -3.989
218 HH11 ARG 23 1HH2 ARG 23 5.274 3.538 -6.362
219 HH12 ARG 23 2HH2 ARG 23 3.756 4.171 -5.820
220 HH21 ARG 23 1HH1 ARG 23 3.396 1.846 -3.272
221 HH22 ARG 23 2HH1 ARG 23 2.693 3.214 -4.070
222 H ILE 24 H ILE 24 8.694 -0.750 -1.415
223 HA ILE 24 HA ILE 24 10.677 1.209 -1.572
224 HB ILE 24 HB ILE 24 9.883 -0.770 0.548
225 HG12 ILE 24 2HG1 ILE 24 10.005 2.235 0.749
226 HG13 ILE 24 1HG1 ILE 24 8.674 1.462 -0.109
227 HG21 ILE 24 1HG2 ILE 24 12.202 -0.636 1.007
228 HG22 ILE 24 2HG2 ILE 24 11.491 0.603 2.040
229 HG23 ILE 24 3HG2 ILE 24 12.285 1.061 0.534
230 HD11 ILE 24 3HD1 ILE 24 9.380 0.402 2.596
231 HD12 ILE 24 1HD1 ILE 24 7.807 0.509 1.805
232 HD13 ILE 24 2HD1 ILE 24 8.539 1.950 2.511
233 H LYS 25 H LYS 25 11.037 -2.312 -1.137
234 HA LYS 25 HA LYS 25 13.787 -2.490 -0.970
235 HB2 LYS 25 2HB LYS 25 12.133 -4.392 -2.636
236 HB3 LYS 25 1HB LYS 25 13.587 -4.745 -1.701
237 HG2 LYS 25 2HG LYS 25 12.253 -4.015 0.364
238 HG3 LYS 25 1HG LYS 25 10.822 -4.101 -0.666
239 HD2 LYS 25 2HD LYS 25 11.476 -6.468 -1.241
240 HD3 LYS 25 1HD LYS 25 12.737 -6.356 -0.014
241 HE2 LYS 25 2HE LYS 25 10.872 -5.662 1.610
242 HE3 LYS 25 1HE LYS 25 9.745 -6.222 0.375
243 HZ1 LYS 25 3HZ LYS 25 10.645 -7.830 2.216
244 HZ2 LYS 25 1HZ LYS 25 11.950 -7.987 1.146
245 HZ3 LYS 25 2HZ LYS 25 10.379 -8.377 0.630
246 H ASP 26 H ASP 26 11.772 -2.204 -3.872
247 HA ASP 26 HA ASP 26 13.987 -2.308 -5.698
248 HB2 ASP 26 2HB ASP 26 11.526 -2.878 -6.180
249 HB3 ASP 26 1HB ASP 26 11.275 -1.137 -6.294
250 H PHE 27 H PHE 27 12.161 0.225 -4.077
251 HA PHE 27 HA PHE 27 12.920 2.460 -5.533
252 HB2 PHE 27 2HB PHE 27 11.295 2.500 -3.672
253 HB3 PHE 27 1HB PHE 27 12.614 2.263 -2.528
254 HD1 PHE 27 2HD PHE 27 11.838 4.484 -5.462
255 HD2 PHE 27 1HD PHE 27 13.422 4.174 -1.480
256 HE1 PHE 27 2HE PHE 27 12.261 6.927 -5.439
257 HE2 PHE 27 1HE PHE 27 13.841 6.618 -1.457
258 HZ PHE 27 HZ PHE 27 13.262 7.994 -3.437
259 H LEU 28 H LEU 28 14.599 1.069 -2.704
260 HA LEU 28 HA LEU 28 16.762 2.792 -2.592
261 HB2 LEU 28 2HB LEU 28 16.493 -0.140 -1.952
262 HB3 LEU 28 1HB LEU 28 18.021 0.709 -1.726
263 HG LEU 28 HG LEU 28 16.650 2.443 -0.386
264 HD11 LEU 28 1HD1 LEU 28 14.709 0.118 -0.504
265 HD12 LEU 28 2HD1 LEU 28 14.415 1.776 -1.030
266 HD13 LEU 28 3HD1 LEU 28 14.610 1.416 0.684
267 HD21 LEU 28 3HD2 LEU 28 16.696 0.956 1.652
268 HD22 LEU 28 1HD2 LEU 28 18.195 0.950 0.722
269 HD23 LEU 28 2HD2 LEU 28 17.066 -0.397 0.584
270 H ARG 29 H ARG 29 16.284 -0.032 -4.668
271 HA ARG 29 HA ARG 29 18.909 0.148 -5.845
272 HB2 ARG 29 2HB ARG 29 16.444 -1.367 -6.740
273 HB3 ARG 29 1HB ARG 29 18.066 -1.570 -7.402
274 HG2 ARG 29 2HG ARG 29 18.804 -2.041 -4.977
275 HG3 ARG 29 1HG ARG 29 17.087 -2.231 -4.624
276 HD2 ARG 29 2HD ARG 29 17.036 -3.868 -6.608
277 HD3 ARG 29 1HD ARG 29 18.795 -3.856 -6.509
278 HE ARG 29 HE ARG 29 18.005 -4.394 -3.948
279 HH11 ARG 29 1HH2 ARG 29 17.329 -5.712 -7.074
280 HH12 ARG 29 2HH2 ARG 29 17.077 -7.324 -6.495
281 HH21 ARG 29 1HH1 ARG 29 17.675 -6.506 -3.178
282 HH22 ARG 29 2HH1 ARG 29 17.272 -7.773 -4.287
283 H ASN 30 H ASN 30 15.661 1.244 -6.659
284 HA ASN 30 HA ASN 30 16.560 2.307 -9.232
285 HB2 ASN 30 2HB ASN 30 13.872 2.174 -7.865
286 HB3 ASN 30 1HB ASN 30 14.132 3.047 -9.374
287 HD21 ASN 30 1HD2 ASN 30 12.374 1.008 -9.646
288 HD22 ASN 30 2HD2 ASN 30 13.085 -0.345 -10.383
289 H LEU 31 H LEU 31 16.905 3.300 -6.168
290 HA LEU 31 HA LEU 31 15.929 5.971 -6.214
291 HB2 LEU 31 2HB LEU 31 17.413 4.279 -4.411
292 HB3 LEU 31 1HB LEU 31 18.215 5.844 -4.527
293 HG LEU 31 HG LEU 31 15.233 5.596 -4.082
294 HD11 LEU 31 1HD1 LEU 31 17.448 5.118 -2.203
295 HD12 LEU 31 2HD1 LEU 31 15.734 4.740 -2.043
296 HD13 LEU 31 3HD1 LEU 31 16.317 6.355 -1.652
297 HD21 LEU 31 3HD2 LEU 31 17.291 7.795 -3.726
298 HD22 LEU 31 1HD2 LEU 31 15.648 7.901 -3.097
299 HD23 LEU 31 2HD2 LEU 31 15.920 7.782 -4.833
300 H VAL 32 H VAL 32 19.099 4.539 -6.929
301 HA VAL 32 HA VAL 32 20.549 6.854 -7.429
302 HB VAL 32 HB VAL 32 22.019 5.463 -8.788
303 HG11 VAL 32 1HG1 VAL 32 22.560 3.828 -7.135
304 HG12 VAL 32 2HG1 VAL 32 20.887 3.729 -6.583
305 HG13 VAL 32 3HG1 VAL 32 21.842 5.175 -6.251
306 HG21 VAL 32 3HG2 VAL 32 19.624 3.613 -8.792
307 HG22 VAL 32 1HG2 VAL 32 21.250 3.049 -9.175
308 HG23 VAL 32 2HG2 VAL 32 20.482 4.277 -10.182
309 HA PRO 33 HA PRO 33 18.686 8.575 -11.046
310 HB2 PRO 33 2HB PRO 33 20.890 9.813 -12.151
311 HB3 PRO 33 1HB PRO 33 19.983 10.463 -10.771
312 HG2 PRO 33 2HG PRO 33 22.539 8.935 -10.801
313 HG3 PRO 33 1HG PRO 33 22.065 10.314 -9.805
314 HD2 PRO 33 2HD PRO 33 22.049 7.774 -8.852
315 HD3 PRO 33 1HD PRO 33 20.886 8.999 -8.296
316 H ARG 34 H ARG 34 21.553 6.612 -11.197
317 HA ARG 34 HA ARG 34 20.597 5.065 -13.372
318 HB2 ARG 34 2HB ARG 34 21.870 5.742 -15.199
319 HB3 ARG 34 1HB ARG 34 21.410 7.279 -14.476
320 HG2 ARG 34 2HG ARG 34 24.049 5.876 -13.933
321 HG3 ARG 34 1HG ARG 34 23.830 7.152 -15.122
322 HD2 ARG 34 2HD ARG 34 22.925 8.609 -13.266
323 HD3 ARG 34 1HD ARG 34 23.447 7.362 -12.133
324 HE ARG 34 HE ARG 34 25.702 7.848 -13.558
325 HH11 ARG 34 1HH2 ARG 34 23.390 9.863 -11.953
326 HH12 ARG 34 2HH2 ARG 34 24.549 11.069 -11.502
327 HH21 ARG 34 1HH1 ARG 34 27.224 9.427 -12.974
328 HH22 ARG 34 2HH1 ARG 34 26.719 10.822 -12.080
329 H THR 35 H THR 35 21.584 3.124 -13.410
330 HA THR 35 HA THR 35 23.547 2.576 -11.376
331 HB THR 35 HB THR 35 22.761 0.471 -11.535
332 HG1 THR 35 1HG THR 35 22.634 0.285 -14.287
333 HG21 THR 35 3HG2 THR 35 20.963 1.478 -13.746
334 HG22 THR 35 1HG2 THR 35 20.701 1.852 -12.043
335 HG23 THR 35 2HG2 THR 35 20.631 0.181 -12.599
336 H GLU 36 H GLU 36 25.094 0.603 -12.501
337 HA GLU 36 HA GLU 36 27.049 2.183 -13.935
338 HB2 GLU 36 2HB GLU 36 27.042 -0.692 -12.993
339 HB3 GLU 36 1HB GLU 36 28.412 0.085 -13.790
340 HG2 GLU 36 2HG GLU 36 28.737 1.607 -12.015
341 HG3 GLU 36 1HG GLU 36 27.128 1.316 -11.355
342 H SER 37 H SER 37 26.752 2.502 -16.056
343 HA SER 37 HA SER 37 25.328 0.633 -17.720
344 HB2 SER 37 2HB SER 37 25.666 2.210 -19.480
345 HB3 SER 37 1HB SER 37 25.370 3.151 -18.021
346 HG SER 37 HG SER 37 27.333 3.523 -19.547
Start of MODEL 4
1 H1 LEU 1 1HT LEU 1 -23.103 6.092 3.086
2 H2 LEU 1 2HT LEU 1 -22.292 6.453 4.534
3 H3 LEU 1 3HT LEU 1 -23.743 5.571 4.568
4 HA LEU 1 HA LEU 1 -22.486 3.754 4.621
5 HB2 LEU 1 2HB LEU 1 -22.133 4.740 1.791
6 HB3 LEU 1 1HB LEU 1 -21.441 3.206 2.314
7 HG LEU 1 HG LEU 1 -23.724 2.996 1.273
8 HD11 LEU 1 2HD1 LEU 1 -24.066 2.193 4.133
9 HD12 LEU 1 3HD1 LEU 1 -22.673 1.546 3.268
10 HD13 LEU 1 1HD1 LEU 1 -24.302 1.250 2.664
11 HD21 LEU 1 1HD2 LEU 1 -24.498 5.196 2.353
12 HD22 LEU 1 2HD2 LEU 1 -24.734 4.257 3.828
13 HD23 LEU 1 3HD2 LEU 1 -25.648 3.860 2.374
14 H LEU 2 H LEU 2 -21.142 6.195 5.522
15 HA LEU 2 HA LEU 2 -18.423 6.083 4.625
16 HB2 LEU 2 2HB LEU 2 -19.807 8.023 5.818
17 HB3 LEU 2 1HB LEU 2 -19.135 7.281 7.266
18 HG LEU 2 HG LEU 2 -17.635 9.043 6.504
19 HD11 LEU 2 1HD1 LEU 2 -16.296 6.495 5.635
20 HD12 LEU 2 2HD1 LEU 2 -16.782 6.714 7.313
21 HD13 LEU 2 3HD1 LEU 2 -15.631 7.826 6.574
22 HD21 LEU 2 3HD2 LEU 2 -16.911 7.657 3.974
23 HD22 LEU 2 1HD2 LEU 2 -17.016 9.381 4.324
24 HD23 LEU 2 2HD2 LEU 2 -18.480 8.463 3.977
25 H GLY 3 H GLY 3 -20.170 4.953 7.462
26 HA2 GLY 3 2HA GLY 3 -18.033 3.882 8.914
27 HA3 GLY 3 1HA GLY 3 -19.688 3.271 8.972
28 H ASP 4 H ASP 4 -19.858 2.649 6.182
29 HA ASP 4 HA ASP 4 -18.712 0.017 6.199
30 HB2 ASP 4 2HB ASP 4 -20.911 0.712 5.121
31 HB3 ASP 4 1HB ASP 4 -19.948 1.440 3.838
32 H PHE 5 H PHE 5 -17.938 3.108 4.776
33 HA PHE 5 HA PHE 5 -16.006 2.250 2.876
34 HB2 PHE 5 2HB PHE 5 -17.103 4.509 2.977
35 HB3 PHE 5 1HB PHE 5 -16.106 4.862 4.374
36 HD1 PHE 5 1HD PHE 5 -13.563 4.711 4.145
37 HD2 PHE 5 2HD PHE 5 -16.239 4.770 0.788
38 HE1 PHE 5 1HE PHE 5 -11.694 5.385 2.671
39 HE2 PHE 5 2HE PHE 5 -14.368 5.443 -0.690
40 HZ PHE 5 HZ PHE 5 -12.093 5.751 0.248
41 H PHE 6 H PHE 6 -15.764 3.572 6.126
42 HA PHE 6 HA PHE 6 -12.981 3.406 6.431
43 HB2 PHE 6 2HB PHE 6 -15.334 3.726 8.195
44 HB3 PHE 6 1HB PHE 6 -13.891 3.084 8.980
45 HD1 PHE 6 1HD PHE 6 -14.262 5.517 6.151
46 HD2 PHE 6 2HD PHE 6 -12.923 4.856 10.175
47 HE1 PHE 6 1HE PHE 6 -13.266 7.788 6.193
48 HE2 PHE 6 2HE PHE 6 -11.929 7.127 10.220
49 HZ PHE 6 HZ PHE 6 -12.100 8.593 8.227
50 H ARG 7 H ARG 7 -15.541 1.065 7.220
51 HA ARG 7 HA ARG 7 -13.820 -0.883 8.362
52 HB2 ARG 7 2HB ARG 7 -16.530 -1.176 7.043
53 HB3 ARG 7 1HB ARG 7 -15.721 -2.445 7.963
54 HG2 ARG 7 2HG ARG 7 -16.084 0.252 9.235
55 HG3 ARG 7 1HG ARG 7 -17.466 -0.839 9.147
56 HD2 ARG 7 2HD ARG 7 -14.768 -1.554 10.331
57 HD3 ARG 7 1HD ARG 7 -16.192 -1.107 11.264
58 HE ARG 7 HE ARG 7 -17.068 -3.182 9.725
59 HH11 ARG 7 1HH2 ARG 7 -14.388 -2.651 11.849
60 HH12 ARG 7 2HH2 ARG 7 -14.288 -4.303 12.361
61 HH21 ARG 7 1HH1 ARG 7 -16.943 -5.351 10.393
62 HH22 ARG 7 2HH1 ARG 7 -15.735 -5.832 11.536
63 H LYS 8 H LYS 8 -14.981 -0.292 5.081
64 HA LYS 8 HA LYS 8 -13.797 -2.657 3.965
65 HB2 LYS 8 2HB LYS 8 -15.753 -1.255 3.026
66 HB3 LYS 8 1HB LYS 8 -14.503 -0.173 2.413
67 HG2 LYS 8 2HG LYS 8 -13.441 -2.087 1.243
68 HG3 LYS 8 1HG LYS 8 -14.739 -3.136 1.814
69 HD2 LYS 8 2HD LYS 8 -16.387 -1.935 0.558
70 HD3 LYS 8 1HD LYS 8 -15.254 -0.631 0.198
71 HE2 LYS 8 2HE LYS 8 -14.795 -3.484 -0.700
72 HE3 LYS 8 1HE LYS 8 -15.644 -2.297 -1.692
73 HZ1 LYS 8 3HZ LYS 8 -13.729 -0.896 -1.688
74 HZ2 LYS 8 1HZ LYS 8 -13.239 -2.449 -2.164
75 HZ3 LYS 8 2HZ LYS 8 -12.918 -1.904 -0.587
76 H SER 9 H SER 9 -12.911 0.770 4.136
77 HA SER 9 HA SER 9 -10.603 0.693 2.560
78 HB2 SER 9 2HB SER 9 -11.684 2.770 3.394
79 HB3 SER 9 1HB SER 9 -11.087 2.401 5.009
80 HG SER 9 HG SER 9 -9.745 3.293 2.749
81 H LYS 10 H LYS 10 -11.128 -0.143 5.933
82 HA LYS 10 HA LYS 10 -8.598 -0.243 6.972
83 HB2 LYS 10 2HB LYS 10 -10.790 -0.872 8.099
84 HB3 LYS 10 1HB LYS 10 -10.592 -2.470 7.380
85 HG2 LYS 10 2HG LYS 10 -8.213 -2.408 8.432
86 HG3 LYS 10 1HG LYS 10 -8.857 -1.104 9.431
87 HD2 LYS 10 2HD LYS 10 -9.999 -3.904 9.205
88 HD3 LYS 10 1HD LYS 10 -9.120 -3.251 10.587
89 HE2 LYS 10 2HE LYS 10 -10.900 -1.434 10.708
90 HE3 LYS 10 1HE LYS 10 -11.822 -2.381 9.540
91 HZ1 LYS 10 3HZ LYS 10 -10.894 -4.048 11.621
92 HZ2 LYS 10 1HZ LYS 10 -12.490 -3.728 11.144
93 HZ3 LYS 10 2HZ LYS 10 -11.728 -2.724 12.284
94 H GLU 11 H GLU 11 -10.172 -2.990 5.297
95 HA GLU 11 HA GLU 11 -7.770 -4.520 5.218
96 HB2 GLU 11 2HB GLU 11 -9.090 -5.949 3.595
97 HB3 GLU 11 1HB GLU 11 -9.830 -5.717 5.179
98 HG2 GLU 11 2HG GLU 11 -11.300 -4.001 4.313
99 HG3 GLU 11 1HG GLU 11 -10.472 -4.016 2.757
100 H LYS 12 H LYS 12 -9.226 -2.214 3.049
101 HA LYS 12 HA LYS 12 -7.935 -2.895 0.668
102 HB2 LYS 12 2HB LYS 12 -8.753 -0.189 1.727
103 HB3 LYS 12 1HB LYS 12 -8.167 -0.458 0.089
104 HG2 LYS 12 2HG LYS 12 -10.403 -2.178 1.117
105 HG3 LYS 12 1HG LYS 12 -10.769 -0.531 0.608
106 HD2 LYS 12 2HD LYS 12 -9.083 -2.202 -1.218
107 HD3 LYS 12 1HD LYS 12 -10.805 -2.566 -1.129
108 HE2 LYS 12 2HE LYS 12 -9.925 -0.782 -2.862
109 HE3 LYS 12 1HE LYS 12 -11.429 -0.493 -1.987
110 HZ1 LYS 12 3HZ LYS 12 -9.623 0.497 -0.282
111 HZ2 LYS 12 1HZ LYS 12 -10.437 1.425 -1.445
112 HZ3 LYS 12 2HZ LYS 12 -8.872 0.844 -1.765
113 H ILE 13 H ILE 13 -6.700 -1.231 3.516
114 HA ILE 13 HA ILE 13 -4.324 -0.309 2.196
115 HB ILE 13 HB ILE 13 -3.841 0.741 4.155
116 HG12 ILE 13 2HG1 ILE 13 -5.035 -1.568 5.713
117 HG13 ILE 13 1HG1 ILE 13 -3.318 -1.346 5.389
118 HG21 ILE 13 1HG2 ILE 13 -6.372 0.969 3.570
119 HG22 ILE 13 2HG2 ILE 13 -5.793 1.582 5.119
120 HG23 ILE 13 3HG2 ILE 13 -6.615 0.026 5.039
121 HD11 ILE 13 3HD1 ILE 13 -3.517 0.930 6.502
122 HD12 ILE 13 1HD1 ILE 13 -3.690 -0.459 7.575
123 HD13 ILE 13 2HD1 ILE 13 -5.119 0.427 7.043
124 H GLY 14 H GLY 14 -5.042 -2.915 4.511
125 HA2 GLY 14 2HA GLY 14 -2.582 -4.034 4.883
126 HA3 GLY 14 1HA GLY 14 -4.048 -4.998 4.737
127 H LYS 15 H LYS 15 -4.687 -4.476 2.051
128 HA LYS 15 HA LYS 15 -2.874 -6.287 0.739
129 HB2 LYS 15 2HB LYS 15 -5.353 -6.206 0.337
130 HB3 LYS 15 1HB LYS 15 -5.115 -4.662 -0.479
131 HG2 LYS 15 2HG LYS 15 -3.209 -6.307 -1.674
132 HG3 LYS 15 1HG LYS 15 -4.591 -7.379 -1.453
133 HD2 LYS 15 2HD LYS 15 -6.042 -5.625 -2.517
134 HD3 LYS 15 1HD LYS 15 -4.584 -4.696 -2.863
135 HE2 LYS 15 2HE LYS 15 -4.312 -7.473 -3.734
136 HE3 LYS 15 1HE LYS 15 -5.694 -6.683 -4.493
137 HZ1 LYS 15 3HZ LYS 15 -3.010 -5.440 -4.363
138 HZ2 LYS 15 1HZ LYS 15 -4.330 -4.972 -5.319
139 HZ3 LYS 15 2HZ LYS 15 -3.507 -6.419 -5.659
140 H GLU 16 H GLU 16 -3.780 -2.875 0.252
141 HA GLU 16 HA GLU 16 -1.926 -2.385 -1.835
142 HB2 GLU 16 2HB GLU 16 -3.314 -0.537 0.112
143 HB3 GLU 16 1HB GLU 16 -2.292 0.036 -1.207
144 HG2 GLU 16 2HG GLU 16 -4.591 -1.864 -1.684
145 HG3 GLU 16 1HG GLU 16 -4.814 -0.115 -1.681
146 H PHE 17 H PHE 17 -1.789 -1.629 1.654
147 HA PHE 17 HA PHE 17 0.691 -0.430 1.780
148 HB2 PHE 17 2HB PHE 17 -1.120 -1.200 3.642
149 HB3 PHE 17 1HB PHE 17 0.125 -2.414 3.922
150 HD1 PHE 17 1HD PHE 17 -0.408 1.266 3.562
151 HD2 PHE 17 2HD PHE 17 2.072 -1.865 5.142
152 HE1 PHE 17 1HE PHE 17 0.925 2.949 4.801
153 HE2 PHE 17 2HE PHE 17 3.407 -0.182 6.380
154 HZ PHE 17 HZ PHE 17 2.835 2.226 6.210
155 H LYS 18 H LYS 18 -0.094 -3.870 1.579
156 HA LYS 18 HA LYS 18 2.472 -4.920 2.023
157 HB2 LYS 18 2HB LYS 18 0.121 -6.081 1.669
158 HB3 LYS 18 1HB LYS 18 0.676 -6.187 -0.002
159 HG2 LYS 18 2HG LYS 18 2.899 -7.086 1.092
160 HG3 LYS 18 1HG LYS 18 1.851 -7.440 2.465
161 HD2 LYS 18 2HD LYS 18 0.318 -8.649 0.878
162 HD3 LYS 18 1HD LYS 18 1.545 -8.440 -0.371
163 HE2 LYS 18 2HE LYS 18 1.990 -9.838 2.284
164 HE3 LYS 18 1HE LYS 18 1.737 -10.653 0.741
165 HZ1 LYS 18 3HZ LYS 18 4.080 -10.481 1.222
166 HZ2 LYS 18 1HZ LYS 18 3.961 -8.798 1.398
167 HZ3 LYS 18 2HZ LYS 18 3.702 -9.512 -0.122
168 H ARG 19 H ARG 19 0.903 -3.746 -0.926
169 HA ARG 19 HA ARG 19 3.007 -4.438 -2.702
170 HB2 ARG 19 2HB ARG 19 0.503 -2.932 -2.812
171 HB3 ARG 19 1HB ARG 19 1.757 -2.207 -3.816
172 HG2 ARG 19 2HG ARG 19 0.556 -3.828 -5.156
173 HG3 ARG 19 1HG ARG 19 2.166 -4.468 -4.831
174 HD2 ARG 19 2HD ARG 19 0.717 -5.398 -2.671
175 HD3 ARG 19 1HD ARG 19 -0.466 -5.480 -3.969
176 HE ARG 19 HE ARG 19 1.485 -7.365 -3.573
177 HH11 ARG 19 1HH2 ARG 19 0.707 -5.145 -6.123
178 HH12 ARG 19 2HH2 ARG 19 1.438 -6.108 -7.360
179 HH21 ARG 19 1HH1 ARG 19 2.431 -8.622 -5.195
180 HH22 ARG 19 2HH1 ARG 19 2.409 -8.073 -6.837
181 H ILE 20 H ILE 20 2.260 -1.459 -0.898
182 HA ILE 20 HA ILE 20 4.241 0.192 -1.948
183 HB ILE 20 HB ILE 20 2.854 0.030 0.714
184 HG12 ILE 20 2HG1 ILE 20 2.140 2.330 -0.033
185 HG13 ILE 20 1HG1 ILE 20 2.981 2.044 -1.553
186 HG21 ILE 20 1HG2 ILE 20 4.048 2.269 1.193
187 HG22 ILE 20 2HG2 ILE 20 5.233 1.747 -0.005
188 HG23 ILE 20 3HG2 ILE 20 4.973 0.790 1.454
189 HD11 ILE 20 3HD1 ILE 20 0.744 0.330 -0.436
190 HD12 ILE 20 1HD1 ILE 20 1.556 0.087 -1.981
191 HD13 ILE 20 2HD1 ILE 20 0.564 1.520 -1.723
192 H VAL 21 H VAL 21 4.436 -2.320 0.526
193 HA VAL 21 HA VAL 21 7.067 -1.760 1.411
194 HB VAL 21 HB VAL 21 5.517 -4.364 1.364
195 HG11 VAL 21 1HG1 VAL 21 8.154 -3.576 2.617
196 HG12 VAL 21 2HG1 VAL 21 7.810 -4.965 1.587
197 HG13 VAL 21 3HG1 VAL 21 7.189 -4.916 3.236
198 HG21 VAL 21 3HG2 VAL 21 4.925 -3.830 3.619
199 HG22 VAL 21 1HG2 VAL 21 4.633 -2.359 2.691
200 HG23 VAL 21 2HG2 VAL 21 6.084 -2.502 3.683
201 H GLN 22 H GLN 22 5.785 -3.795 -1.189
202 HA GLN 22 HA GLN 22 8.290 -4.917 -1.960
203 HB2 GLN 22 2HB GLN 22 5.731 -4.535 -3.536
204 HB3 GLN 22 1HB GLN 22 7.100 -5.521 -4.053
205 HG2 GLN 22 2HG GLN 22 6.850 -6.787 -1.854
206 HG3 GLN 22 1HG GLN 22 5.310 -5.951 -1.652
207 HE21 GLN 22 1HE2 GLN 22 3.558 -7.090 -2.478
208 HE22 GLN 22 2HE2 GLN 22 3.638 -8.220 -3.742
209 H ARG 23 H ARG 23 6.325 -2.260 -3.292
210 HA ARG 23 HA ARG 23 8.169 -1.469 -5.281
211 HB2 ARG 23 2HB ARG 23 6.127 0.237 -3.835
212 HB3 ARG 23 1HB ARG 23 6.882 0.605 -5.387
213 HG2 ARG 23 2HG ARG 23 5.193 -1.852 -4.833
214 HG3 ARG 23 1HG ARG 23 4.602 -0.394 -5.628
215 HD2 ARG 23 2HD ARG 23 6.857 -0.927 -7.097
216 HD3 ARG 23 1HD ARG 23 6.323 -2.555 -6.691
217 HE ARG 23 HE ARG 23 5.240 -1.072 -8.723
218 HH11 ARG 23 1HH2 ARG 23 4.030 -2.398 -5.755
219 HH12 ARG 23 2HH2 ARG 23 2.398 -2.499 -6.314
220 HH21 ARG 23 1HH1 ARG 23 3.106 -1.219 -9.453
221 HH22 ARG 23 2HH1 ARG 23 1.874 -1.838 -8.403
222 H ILE 24 H ILE 24 7.837 -0.677 -1.880
223 HA ILE 24 HA ILE 24 9.475 1.569 -1.694
224 HB ILE 24 HB ILE 24 8.614 -0.618 0.125
225 HG12 ILE 24 2HG1 ILE 24 7.547 1.724 -0.337
226 HG13 ILE 24 1HG1 ILE 24 7.632 1.139 1.325
227 HG21 ILE 24 1HG2 ILE 24 11.057 1.088 0.632
228 HG22 ILE 24 2HG2 ILE 24 10.885 -0.658 0.813
229 HG23 ILE 24 3HG2 ILE 24 10.092 0.428 1.951
230 HD11 ILE 24 3HD1 ILE 24 9.411 2.556 1.872
231 HD12 ILE 24 1HD1 ILE 24 8.440 3.566 0.804
232 HD13 ILE 24 2HD1 ILE 24 9.888 2.771 0.189
233 H LYS 25 H LYS 25 10.376 -1.841 -1.275
234 HA LYS 25 HA LYS 25 13.098 -1.567 -0.918
235 HB2 LYS 25 2HB LYS 25 11.413 -3.690 -1.198
236 HB3 LYS 25 1HB LYS 25 12.302 -3.786 -2.716
237 HG2 LYS 25 2HG LYS 25 13.654 -5.050 -1.279
238 HG3 LYS 25 1HG LYS 25 14.418 -3.464 -1.201
239 HD2 LYS 25 2HD LYS 25 14.235 -3.946 1.065
240 HD3 LYS 25 1HD LYS 25 12.711 -3.099 0.802
241 HE2 LYS 25 2HE LYS 25 12.100 -5.067 1.976
242 HE3 LYS 25 1HE LYS 25 11.712 -5.422 0.293
243 HZ1 LYS 25 3HZ LYS 25 13.810 -6.514 1.989
244 HZ2 LYS 25 1HZ LYS 25 14.225 -6.235 0.368
245 HZ3 LYS 25 2HZ LYS 25 12.919 -7.255 0.746
246 H ASP 26 H ASP 26 11.223 -1.351 -3.877
247 HA ASP 26 HA ASP 26 13.484 -1.346 -5.647
248 HB2 ASP 26 2HB ASP 26 11.063 -1.928 -6.239
249 HB3 ASP 26 1HB ASP 26 10.762 -0.191 -6.243
250 H PHE 27 H PHE 27 11.521 1.107 -4.045
251 HA PHE 27 HA PHE 27 12.378 3.402 -5.350
252 HB2 PHE 27 2HB PHE 27 10.606 3.340 -3.619
253 HB3 PHE 27 1HB PHE 27 11.841 3.089 -2.387
254 HD1 PHE 27 2HD PHE 27 11.012 5.408 -5.213
255 HD2 PHE 27 1HD PHE 27 12.761 4.955 -1.315
256 HE1 PHE 27 2HE PHE 27 11.368 7.858 -5.089
257 HE2 PHE 27 1HE PHE 27 13.117 7.407 -1.192
258 HZ PHE 27 HZ PHE 27 12.421 8.858 -3.078
259 H LEU 28 H LEU 28 13.913 1.635 -2.687
260 HA LEU 28 HA LEU 28 16.029 3.434 -2.220
261 HB2 LEU 28 2HB LEU 28 15.733 0.465 -1.766
262 HB3 LEU 28 1HB LEU 28 17.191 1.345 -1.310
263 HG LEU 28 HG LEU 28 15.635 2.954 -0.044
264 HD11 LEU 28 1HD1 LEU 28 13.747 0.674 -0.662
265 HD12 LEU 28 2HD1 LEU 28 13.496 2.397 -0.938
266 HD13 LEU 28 3HD1 LEU 28 13.498 1.759 0.705
267 HD21 LEU 28 3HD2 LEU 28 17.067 1.298 1.079
268 HD22 LEU 28 1HD2 LEU 28 15.836 0.058 0.838
269 HD23 LEU 28 2HD2 LEU 28 15.513 1.427 1.902
270 H ARG 29 H ARG 29 15.929 0.478 -4.226
271 HA ARG 29 HA ARG 29 18.561 0.649 -5.192
272 HB2 ARG 29 2HB ARG 29 16.158 -0.497 -6.632
273 HB3 ARG 29 1HB ARG 29 17.851 -0.877 -6.944
274 HG2 ARG 29 2HG ARG 29 17.697 -1.372 -4.253
275 HG3 ARG 29 1HG ARG 29 16.079 -1.831 -4.766
276 HD2 ARG 29 2HD ARG 29 18.721 -3.015 -5.526
277 HD3 ARG 29 1HD ARG 29 17.231 -3.832 -5.073
278 HE ARG 29 HE ARG 29 18.067 -3.419 -7.678
279 HH11 ARG 29 1HH2 ARG 29 15.280 -2.615 -5.782
280 HH12 ARG 29 2HH2 ARG 29 14.233 -2.463 -7.150
281 HH21 ARG 29 1HH1 ARG 29 16.695 -3.232 -9.461
282 HH22 ARG 29 2HH1 ARG 29 15.030 -2.814 -9.229
283 H ASN 30 H ASN 30 15.737 2.467 -5.987
284 HA ASN 30 HA ASN 30 16.715 3.356 -8.568
285 HB2 ASN 30 2HB ASN 30 14.364 4.161 -6.851
286 HB3 ASN 30 1HB ASN 30 14.750 4.952 -8.378
287 HD21 ASN 30 1HD2 ASN 30 14.988 1.463 -7.529
288 HD22 ASN 30 2HD2 ASN 30 13.913 0.947 -8.738
289 H LEU 31 H LEU 31 16.850 4.399 -5.249
290 HA LEU 31 HA LEU 31 17.555 7.121 -5.767
291 HB2 LEU 31 2HB LEU 31 17.351 5.337 -3.426
292 HB3 LEU 31 1HB LEU 31 18.577 6.593 -3.276
293 HG LEU 31 HG LEU 31 16.862 8.293 -3.913
294 HD11 LEU 31 1HD1 LEU 31 14.791 6.141 -3.479
295 HD12 LEU 31 2HD1 LEU 31 15.427 6.470 -5.090
296 HD13 LEU 31 3HD1 LEU 31 14.589 7.737 -4.200
297 HD21 LEU 31 3HD2 LEU 31 16.266 6.503 -1.539
298 HD22 LEU 31 1HD2 LEU 31 15.544 8.096 -1.768
299 HD23 LEU 31 2HD2 LEU 31 17.288 7.940 -1.557
300 H VAL 32 H VAL 32 19.436 4.196 -5.003
301 HA VAL 32 HA VAL 32 21.910 5.677 -5.599
302 HB VAL 32 HB VAL 32 22.957 3.491 -4.700
303 HG11 VAL 32 1HG1 VAL 32 22.966 5.602 -3.460
304 HG12 VAL 32 2HG1 VAL 32 22.616 4.268 -2.361
305 HG13 VAL 32 3HG1 VAL 32 21.311 5.315 -2.920
306 HG21 VAL 32 3HG2 VAL 32 20.871 2.150 -4.827
307 HG22 VAL 32 1HG2 VAL 32 20.116 3.229 -3.656
308 HG23 VAL 32 2HG2 VAL 32 21.485 2.228 -3.177
309 HA PRO 33 HA PRO 33 21.600 3.333 -9.470
310 HB2 PRO 33 2HB PRO 33 23.089 4.986 -10.996
311 HB3 PRO 33 1HB PRO 33 21.433 5.405 -10.511
312 HG2 PRO 33 2HG PRO 33 24.026 6.369 -9.414
313 HG3 PRO 33 1HG PRO 33 22.514 7.254 -9.681
314 HD2 PRO 33 2HD PRO 33 23.351 6.235 -7.216
315 HD3 PRO 33 1HD PRO 33 21.674 6.666 -7.626
316 H ARG 34 H ARG 34 24.565 4.599 -8.010
317 HA ARG 34 HA ARG 34 26.557 3.349 -9.388
318 HB2 ARG 34 2HB ARG 34 27.870 3.361 -7.362
319 HB3 ARG 34 1HB ARG 34 26.858 4.807 -7.377
320 HG2 ARG 34 2HG ARG 34 25.160 3.457 -6.019
321 HG3 ARG 34 1HG ARG 34 26.443 2.267 -5.792
322 HD2 ARG 34 2HD ARG 34 26.574 3.703 -3.897
323 HD3 ARG 34 1HD ARG 34 27.892 4.199 -4.955
324 HE ARG 34 HE ARG 34 25.814 5.815 -5.700
325 HH11 ARG 34 1HH2 ARG 34 27.383 5.009 -2.722
326 HH12 ARG 34 2HH2 ARG 34 27.083 6.548 -1.988
327 HH21 ARG 34 1HH1 ARG 34 25.418 7.835 -4.744
328 HH22 ARG 34 2HH1 ARG 34 25.970 8.149 -3.132
329 H THR 35 H THR 35 24.241 1.886 -7.238
330 HA THR 35 HA THR 35 25.567 -0.701 -7.263
331 HB THR 35 HB THR 35 23.173 -1.215 -6.144
332 HG1 THR 35 1HG THR 35 22.114 0.539 -5.803
333 HG21 THR 35 3HG2 THR 35 25.256 -1.526 -4.974
334 HG22 THR 35 1HG2 THR 35 24.225 -0.518 -3.959
335 HG23 THR 35 2HG2 THR 35 25.528 0.215 -4.894
336 H GLU 36 H GLU 36 23.533 -2.475 -7.503
337 HA GLU 36 HA GLU 36 23.293 -2.931 -10.219
338 HB2 GLU 36 2HB GLU 36 21.515 -3.796 -7.933
339 HB3 GLU 36 1HB GLU 36 21.328 -4.398 -9.581
340 HG2 GLU 36 2HG GLU 36 23.475 -5.411 -9.571
341 HG3 GLU 36 1HG GLU 36 23.977 -4.520 -8.136
342 H SER 37 H SER 37 21.417 -2.840 -11.633
343 HA SER 37 HA SER 37 20.239 -0.251 -11.694
344 HB2 SER 37 2HB SER 37 19.187 -0.956 -13.706
345 HB3 SER 37 1HB SER 37 20.755 -1.757 -13.681
346 HG SER 37 HG SER 37 18.751 -3.047 -14.143