Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
502750 | 2kuy RC | 16747 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 -9.417 -16.843 -5.615
2 H2 LYS 1 HT2 LYS 1 -10.271 -17.664 -4.372
3 H3 LYS 1 HT3 LYS 1 -8.816 -18.325 -4.997
4 HA LYS 1 HA LYS 1 -8.446 -17.339 -2.881
5 HB2 LYS 1 HB2 LYS 1 -6.562 -15.970 -3.541
6 HB3 LYS 1 HB1 LYS 1 -6.723 -17.308 -4.669
7 HG2 LYS 1 HG2 LYS 1 -8.185 -14.951 -5.528
8 HG3 LYS 1 HG1 LYS 1 -6.459 -14.648 -5.319
9 HD2 LYS 1 HD2 LYS 1 -6.032 -15.684 -7.239
10 HD3 LYS 1 HD1 LYS 1 -6.785 -17.158 -6.625
11 HE2 LYS 1 HE2 LYS 1 -8.848 -16.640 -7.554
12 HE3 LYS 1 HE1 LYS 1 -8.475 -14.921 -7.670
13 HZ1 LYS 1 HZ1 LYS 1 -7.514 -15.187 -9.659
14 HZ2 LYS 1 HZ2 LYS 1 -8.361 -16.649 -9.722
15 HZ3 LYS 1 HZ3 LYS 1 -6.743 -16.630 -9.227
16 HA PRO 2 HA PRO 2 -10.896 -13.959 -1.450
17 HB2 PRO 2 HB2 PRO 2 -8.342 -13.050 -0.197
18 HB3 PRO 2 HB1 PRO 2 -9.941 -13.247 0.528
19 HG2 PRO 2 HG2 PRO 2 -8.038 -15.050 0.963
20 HG3 PRO 2 HG1 PRO 2 -9.720 -15.552 0.709
21 HD2 PRO 2 HD2 PRO 2 -7.392 -15.713 -1.147
22 HD3 PRO 2 HD1 PRO 2 -8.770 -16.816 -0.965
23 H ALA 3 HN ALA 3 -10.710 -11.481 -1.238
24 HA ALA 3 HA ALA 3 -8.855 -10.099 -2.893
25 HB1 ALA 3 HB1 ALA 3 -10.396 -11.311 -4.541
26 HB2 ALA 3 HB2 ALA 3 -10.133 -9.583 -4.779
27 HB3 ALA 3 HB3 ALA 3 -11.628 -10.153 -4.038
28 H TRP 4 HN TRP 4 -8.867 -9.017 -0.799
29 HA TRP 4 HA TRP 4 -11.135 -7.167 -0.488
30 HB2 TRP 4 HB2 TRP 4 -10.063 -6.959 1.905
31 HB3 TRP 4 HB1 TRP 4 -11.131 -8.304 1.521
32 HD1 TRP 4 HD1 TRP 4 -10.094 -10.723 1.520
33 HE1 TRP 4 HE1 TRP 4 -7.819 -11.668 2.266
34 HE3 TRP 4 HE3 TRP 4 -7.516 -6.336 2.003
35 HZ2 TRP 4 HZ2 TRP 4 -5.268 -10.681 2.967
36 HZ3 TRP 4 HZ3 TRP 4 -5.163 -6.424 2.717
37 HH2 TRP 4 HH2 TRP 4 -4.064 -8.552 3.188
38 H CYS 5 HN CYS 5 -7.698 -7.472 -0.868
39 HA CYS 5 HA CYS 5 -6.910 -4.903 -0.047
40 HB2 CYS 5 HB2 CYS 5 -5.725 -7.141 -1.478
41 HB3 CYS 5 HB1 CYS 5 -5.177 -5.593 -2.111
42 H TRP 6 HN TRP 6 -6.616 -5.815 -3.450
43 HA TRP 6 HA TRP 6 -6.844 -3.285 -4.480
44 HB2 TRP 6 HB2 TRP 6 -7.409 -4.320 -6.625
45 HB3 TRP 6 HB1 TRP 6 -6.101 -5.175 -5.814
46 HD1 TRP 6 HD1 TRP 6 -6.506 -7.641 -5.132
47 HE1 TRP 6 HE1 TRP 6 -8.394 -9.336 -5.615
48 HE3 TRP 6 HE3 TRP 6 -10.008 -4.411 -6.910
49 HZ2 TRP 6 HZ2 TRP 6 -11.043 -9.283 -6.620
50 HZ3 TRP 6 HZ3 TRP 6 -12.201 -5.295 -7.613
51 HH2 TRP 6 HH2 TRP 6 -12.705 -7.682 -7.468
52 H TYR 7 HN TYR 7 -9.385 -5.475 -3.511
53 HA TYR 7 HA TYR 7 -11.579 -4.274 -4.742
54 HB2 TYR 7 HB2 TYR 7 -11.381 -6.435 -3.251
55 HB3 TYR 7 HB1 TYR 7 -11.798 -5.332 -1.944
56 HD1 TYR 7 HD1 TYR 7 -13.052 -5.284 -5.437
57 HD2 TYR 7 HD2 TYR 7 -13.955 -6.048 -1.353
58 HE1 TYR 7 HE1 TYR 7 -15.432 -5.522 -6.015
59 HE2 TYR 7 HE2 TYR 7 -16.336 -6.290 -1.918
60 HH TYR 7 HH TYR 7 -17.447 -6.578 -5.120
61 H THR 8 HN THR 8 -10.089 -3.629 -1.606
62 HA THR 8 HA THR 8 -11.787 -1.592 -0.737
63 HB THR 8 HB THR 8 -8.883 -2.203 -0.194
64 HG1 THR 8 HG1 THR 8 -9.767 -2.793 1.830
65 HG21 THR 8 HG21 THR 8 -10.191 0.275 0.411
66 HG22 THR 8 HG22 THR 8 -8.534 -0.231 0.745
67 HG23 THR 8 HG23 THR 8 -9.820 -0.602 1.896
68 H LEU 9 HN LEU 9 -9.082 -1.574 -2.953
69 HA LEU 9 HA LEU 9 -8.952 1.298 -3.135
70 HB2 LEU 9 HB2 LEU 9 -7.657 -0.942 -4.669
71 HB3 LEU 9 HB1 LEU 9 -7.439 0.740 -5.111
72 HG LEU 9 HG LEU 9 -5.613 -0.302 -3.695
73 HD11 LEU 9 HD11 LEU 9 -6.157 1.844 -1.978
74 HD12 LEU 9 HD12 LEU 9 -6.862 2.277 -3.536
75 HD13 LEU 9 HD13 LEU 9 -5.154 1.852 -3.427
76 HD21 LEU 9 HD21 LEU 9 -7.606 0.066 -1.466
77 HD22 LEU 9 HD22 LEU 9 -5.971 -0.591 -1.362
78 HD23 LEU 9 HD23 LEU 9 -7.234 -1.495 -2.198
79 H ALA 10 HN ALA 10 -10.278 -1.332 -5.087
80 HA ALA 10 HA ALA 10 -10.944 -0.017 -7.401
81 HB1 ALA 10 HB1 ALA 10 -13.117 -1.736 -6.588
82 HB2 ALA 10 HB2 ALA 10 -11.552 -2.479 -6.261
83 HB3 ALA 10 HB3 ALA 10 -11.948 -1.939 -7.892
84 H MET 11 HN MET 11 -12.944 -0.247 -4.459
85 HA MET 11 HA MET 11 -15.040 1.374 -5.431
86 HB2 MET 11 HB2 MET 11 -14.405 -0.014 -3.014
87 HB3 MET 11 HB1 MET 11 -14.896 1.624 -2.604
88 HG2 MET 11 HG2 MET 11 -16.805 0.952 -4.404
89 HG3 MET 11 HG1 MET 11 -16.471 -0.613 -3.658
90 HE1 MET 11 HE1 MET 11 -18.622 -0.952 -1.252
91 HE2 MET 11 HE2 MET 11 -18.486 -1.021 -3.010
92 HE3 MET 11 HE3 MET 11 -19.651 0.069 -2.257
93 H CYS 12 HN CYS 12 -11.949 2.113 -4.066
94 HA CYS 12 HA CYS 12 -12.402 4.685 -3.081
95 HB2 CYS 12 HB2 CYS 12 -10.187 3.028 -3.450
96 HB3 CYS 12 HB1 CYS 12 -9.828 4.461 -4.407
97 H GLY 13 HN GLY 13 -10.858 3.931 -6.209
98 HA2 GLY 13 HA2 GLY 13 -11.731 4.843 -8.278
99 HA3 GLY 13 HA1 GLY 13 -12.309 6.226 -7.361
100 H ALA 14 HN ALA 14 -10.402 7.342 -6.104
101 HA ALA 14 HA ALA 14 -7.807 7.281 -7.191
102 HB1 ALA 14 HB1 ALA 14 -8.039 9.615 -8.312
103 HB2 ALA 14 HB2 ALA 14 -9.738 9.169 -8.468
104 HB3 ALA 14 HB3 ALA 14 -8.491 8.167 -9.211
105 H GLY 15 HN GLY 15 -8.800 7.382 -4.623
106 HA2 GLY 15 HA2 GLY 15 -8.425 10.145 -3.713
107 HA3 GLY 15 HA1 GLY 15 -9.052 8.818 -2.748
108 H TYR 16 HN TYR 16 -6.971 10.677 -2.029
109 HA TYR 16 HA TYR 16 -4.747 8.775 -1.702
110 HB2 TYR 16 HB2 TYR 16 -4.732 11.599 -2.584
111 HB3 TYR 16 HB1 TYR 16 -3.483 11.143 -1.431
112 HD1 TYR 16 HD1 TYR 16 -5.039 9.496 -4.408
113 HD2 TYR 16 HD2 TYR 16 -1.463 10.734 -2.466
114 HE1 TYR 16 HE1 TYR 16 -3.717 8.531 -6.242
115 HE2 TYR 16 HE2 TYR 16 -0.130 9.774 -4.295
116 HH TYR 16 HH TYR 16 -0.657 9.259 -6.884
117 H ASP 17 HN ASP 17 -7.170 9.725 -0.027
118 HA ASP 17 HA ASP 17 -6.070 9.375 2.490
119 HB2 ASP 17 HB2 ASP 17 -6.386 11.769 3.358
120 HB3 ASP 17 HB1 ASP 17 -4.937 11.442 2.412
121 H SER 18 HN SER 18 -7.923 8.139 2.727
122 HA SER 18 HA SER 18 -10.373 9.690 3.207
123 HB2 SER 18 HB2 SER 18 -9.974 7.628 1.219
124 HB3 SER 18 HB1 SER 18 -11.227 7.155 2.366
125 H GLY 19 HN GLY 19 -9.729 6.202 3.411
126 HA2 GLY 19 HA2 GLY 19 -9.395 6.206 6.248
127 HA3 GLY 19 HA1 GLY 19 -11.034 5.764 5.799
128 H THR 20 HN THR 20 -11.258 3.935 4.265
129 HA THR 20 HA THR 20 -9.852 1.683 5.197
130 HB THR 20 HB THR 20 -11.209 1.571 2.553
131 HG1 THR 20 HG1 THR 20 -13.209 1.845 3.450
132 HG21 THR 20 HG21 THR 20 -11.763 -0.083 4.989
133 HG22 THR 20 HG22 THR 20 -10.428 -0.442 3.893
134 HG23 THR 20 HG23 THR 20 -12.088 -0.461 3.297
135 H CYS 21 HN CYS 21 -9.751 3.287 2.018
136 HA CYS 21 HA CYS 21 -7.812 1.732 0.821
137 HB2 CYS 21 HB2 CYS 21 -8.115 4.719 0.466
138 HB3 CYS 21 HB1 CYS 21 -7.427 3.581 -0.689
139 H ASP 22 HN ASP 22 -7.140 4.950 2.209
140 HA ASP 22 HA ASP 22 -4.421 4.906 2.152
141 HB2 ASP 22 HB2 ASP 22 -6.310 6.569 3.248
142 HB3 ASP 22 HB1 ASP 22 -5.439 6.009 4.673
143 H TYR 23 HN TYR 23 -6.475 3.107 4.305
144 HA TYR 23 HA TYR 23 -4.230 2.365 6.009
145 HB2 TYR 23 HB2 TYR 23 -6.691 2.835 6.768
146 HB3 TYR 23 HB1 TYR 23 -6.966 1.169 6.266
147 HD1 TYR 23 HD1 TYR 23 -4.063 2.763 7.984
148 HD2 TYR 23 HD2 TYR 23 -7.204 -0.099 8.194
149 HE1 TYR 23 HE1 TYR 23 -3.190 1.974 10.144
150 HE2 TYR 23 HE2 TYR 23 -6.340 -0.896 10.356
151 HH TYR 23 HH TYR 23 -4.087 -0.901 11.549
152 H MET 24 HN MET 24 -6.806 0.416 4.485
153 HA MET 24 HA MET 24 -5.480 -1.991 4.518
154 HB2 MET 24 HB2 MET 24 -7.734 -0.812 3.014
155 HB3 MET 24 HB1 MET 24 -7.016 -2.255 2.327
156 HG2 MET 24 HG2 MET 24 -8.902 -2.806 3.752
157 HG3 MET 24 HG1 MET 24 -7.400 -3.455 4.412
158 HE1 MET 24 HE1 MET 24 -10.223 -2.685 6.745
159 HE2 MET 24 HE2 MET 24 -10.435 -2.401 5.017
160 HE3 MET 24 HE3 MET 24 -10.535 -1.054 6.151
161 H TYR 25 HN TYR 25 -5.503 0.486 1.972
162 HA TYR 25 HA TYR 25 -4.039 -0.892 0.040
163 HB2 TYR 25 HB2 TYR 25 -5.218 1.359 -0.168
164 HB3 TYR 25 HB1 TYR 25 -3.786 2.068 0.556
165 HD1 TYR 25 HD1 TYR 25 -4.127 -0.640 -1.988
166 HD2 TYR 25 HD2 TYR 25 -2.727 3.281 -1.115
167 HE1 TYR 25 HE1 TYR 25 -3.063 -0.534 -4.202
168 HE2 TYR 25 HE2 TYR 25 -1.660 3.399 -3.327
169 HH TYR 25 HH TYR 25 -1.027 2.186 -5.138
170 H SER 26 HN SER 26 -2.764 1.620 2.211
171 HA SER 26 HA SER 26 -0.087 1.321 1.755
172 HB2 SER 26 HB2 SER 26 -1.622 2.089 4.210
173 HB3 SER 26 HB1 SER 26 0.133 1.950 4.285
174 HG SER 26 HG SER 26 -0.991 4.064 3.637
175 H HIS 27 HN HIS 27 -1.923 -0.403 4.283
176 HA HIS 27 HA HIS 27 0.185 -2.004 5.186
177 HB2 HIS 27 HB2 HIS 27 -2.770 -2.063 5.391
178 HB3 HIS 27 HB1 HIS 27 -1.944 -3.589 5.684
179 HD1 HIS 27 HD1 HIS 27 -2.513 -0.218 7.145
180 HD2 HIS 27 HD2 HIS 27 -0.328 -3.648 8.001
181 HE1 HIS 27 HE1 HIS 27 -1.743 0.051 9.524
182 HE2 HIS 27 HE2 HIS 27 -0.352 -1.996 9.990
183 H CYS 28 HN CYS 28 -2.090 -2.438 2.539
184 HA CYS 28 HA CYS 28 -1.714 -5.101 1.927
185 HB2 CYS 28 HB2 CYS 28 -3.256 -3.377 0.808
186 HB3 CYS 28 HB1 CYS 28 -1.874 -2.980 -0.207
187 H PHE 29 HN PHE 29 0.395 -2.376 1.326
188 HA PHE 29 HA PHE 29 2.322 -4.160 0.012
189 HB2 PHE 29 HB2 PHE 29 1.703 -1.270 -0.264
190 HB3 PHE 29 HB1 PHE 29 3.388 -1.749 -0.442
191 HD1 PHE 29 HD2 PHE 29 3.743 -3.849 -2.028
192 HD2 PHE 29 HD1 PHE 29 0.398 -1.221 -2.147
193 HE1 PHE 29 HE2 PHE 29 3.309 -4.512 -4.357
194 HE2 PHE 29 HE1 PHE 29 -0.042 -1.879 -4.476
195 HZ PHE 29 HZ PHE 29 1.419 -3.520 -5.587
196 H GLY 30 HN GLY 30 2.573 -1.193 1.915
197 HA2 GLY 30 HA2 GLY 30 3.869 -0.648 3.734
198 HA3 GLY 30 HA1 GLY 30 3.853 -2.357 4.140
199 H ILE 31 HN ILE 31 6.067 -0.699 4.577
200 HA ILE 31 HA ILE 31 8.031 -2.069 2.906
201 HB ILE 31 HB ILE 31 9.359 0.069 2.722
202 HG12 ILE 31 HG12 ILE 31 7.946 1.266 4.456
203 HG13 ILE 31 HG11 ILE 31 8.280 2.176 2.986
204 HG21 ILE 31 HG21 ILE 31 8.002 -1.020 0.892
205 HG22 ILE 31 HG22 ILE 31 8.337 0.700 0.687
206 HG23 ILE 31 HG23 ILE 31 6.748 0.171 1.236
207 HD11 ILE 31 HD11 ILE 31 6.117 2.483 2.683
208 HD12 ILE 31 HD12 ILE 31 5.785 1.580 4.162
209 HD13 ILE 31 HD13 ILE 31 5.861 0.740 2.613
210 H LYS 32 HN LYS 32 7.791 -3.050 5.233
211 HA LYS 32 HA LYS 32 8.599 -3.358 7.347
212 HB2 LYS 32 HB2 LYS 32 11.207 -2.223 6.440
213 HB3 LYS 32 HB1 LYS 32 10.879 -3.674 7.374
214 HG2 LYS 32 HG2 LYS 32 11.337 -4.766 5.487
215 HG3 LYS 32 HG1 LYS 32 9.718 -4.278 4.982
216 HD2 LYS 32 HD2 LYS 32 10.784 -2.174 4.061
217 HD3 LYS 32 HD1 LYS 32 12.344 -2.956 4.333
218 HE2 LYS 32 HE2 LYS 32 11.899 -4.640 2.765
219 HE3 LYS 32 HE1 LYS 32 10.171 -4.293 2.753
220 HZ1 LYS 32 HZ1 LYS 32 12.363 -2.794 1.472
221 HZ2 LYS 32 HZ2 LYS 32 10.899 -2.027 1.832
222 HZ3 LYS 32 HZ3 LYS 32 10.921 -3.360 0.791
223 H HIS 33 HN HIS 33 7.204 -1.047 7.380
224 HA HIS 33 HA HIS 33 8.839 0.658 9.134
225 HB2 HIS 33 HB2 HIS 33 7.629 1.403 6.657
226 HB3 HIS 33 HB1 HIS 33 6.790 2.245 7.956
227 HD1 HIS 33 HD1 HIS 33 10.500 1.480 7.607
228 HD2 HIS 33 HD2 HIS 33 7.910 4.713 7.935
229 HE1 HIS 33 HE1 HIS 33 11.976 3.511 7.759
230 HE2 HIS 33 HE2 HIS 33 10.386 5.461 7.896
231 H HIS 34 HN HIS 34 7.022 -1.533 9.752
232 HA HIS 34 HA HIS 34 4.671 -0.239 10.875
233 HB2 HIS 34 HB2 HIS 34 5.518 -3.134 11.082
234 HB3 HIS 34 HB1 HIS 34 3.929 -2.471 11.452
235 HD1 HIS 34 HD1 HIS 34 5.250 -4.501 9.040
236 HD2 HIS 34 HD2 HIS 34 3.180 -0.907 8.779
237 HE1 HIS 34 HE1 HIS 34 4.291 -4.445 6.716
238 HE2 HIS 34 HE2 HIS 34 3.107 -2.227 6.556
239 H SER 35 HN SER 35 4.140 -0.332 13.115
240 HA SER 35 HA SER 35 6.147 0.453 14.853
241 HB2 SER 35 HB2 SER 35 4.517 0.139 16.655
242 HB3 SER 35 HB1 SER 35 3.744 0.867 15.248
243 HG SER 35 HG SER 35 3.140 -1.423 16.495
244 H SER 36 HN SER 36 7.917 -0.861 14.971
245 HA SER 36 HA SER 36 7.820 -3.055 16.760
246 HB2 SER 36 HB2 SER 36 7.632 -3.640 13.881
247 HB3 SER 36 HB1 SER 36 8.908 -4.522 14.719
248 HG SER 36 HG SER 36 6.188 -4.417 15.527
249 H GLY 37 HN GLY 37 9.769 -2.165 13.900
250 HA2 GLY 37 HA2 GLY 37 11.830 -0.839 15.085
251 HA3 GLY 37 HA1 GLY 37 12.222 -2.530 15.363
252 H SER 38 HN SER 38 13.798 -0.733 13.847
253 HA SER 38 HA SER 38 13.348 -0.996 11.067
254 HB2 SER 38 HB2 SER 38 15.473 0.032 12.810
255 HB3 SER 38 HB1 SER 38 16.068 -0.649 11.296
256 HG SER 38 HG SER 38 15.205 0.956 10.236
257 H SER 39 HN SER 39 15.495 -1.949 9.834
258 HA SER 39 HA SER 39 15.196 -4.785 10.110
259 HB2 SER 39 HB2 SER 39 16.758 -2.996 8.267
260 HB3 SER 39 HB1 SER 39 17.037 -4.738 8.273
261 HG SER 39 HG SER 39 15.401 -3.892 6.759
262 H SER 40 HN SER 40 18.093 -2.699 10.171
263 HA SER 40 HA SER 40 19.136 -4.095 12.464
264 HB2 SER 40 HB2 SER 40 21.115 -4.992 11.435
265 HB3 SER 40 HB1 SER 40 19.727 -5.583 10.521
266 HG SER 40 HG SER 40 21.604 -4.678 9.314
267 H TYR 41 HN TYR 41 18.737 -1.733 12.949
268 HA TYR 41 HA TYR 41 20.965 -0.043 12.049
269 HB2 TYR 41 HB2 TYR 41 18.408 0.625 11.970
270 HB3 TYR 41 HB1 TYR 41 18.689 1.034 13.659
271 HD1 TYR 41 HD2 TYR 41 20.795 2.553 14.098
272 HD2 TYR 41 HD1 TYR 41 18.808 2.227 10.350
273 HE1 TYR 41 HE2 TYR 41 21.735 4.721 13.419
274 HE2 TYR 41 HE1 TYR 41 19.744 4.395 9.659
275 HH TYR 41 HH TYR 41 21.847 5.788 10.319
276 H HIS 42 HN HIS 42 22.336 0.949 13.502
277 HA HIS 42 HA HIS 42 23.642 1.052 15.365
278 HB2 HIS 42 HB2 HIS 42 21.159 1.994 16.026
279 HB3 HIS 42 HB1 HIS 42 21.410 0.763 17.259
280 HD1 HIS 42 HD1 HIS 42 24.090 1.043 18.275
281 HD2 HIS 42 HD2 HIS 42 22.009 4.380 16.934
282 HE1 HIS 42 HE1 HIS 42 25.209 3.016 19.363
283 HE2 HIS 42 HE2 HIS 42 23.902 5.021 18.575
284 H CYS 43 HN CYS 43 24.588 -1.010 15.008
285 HA CYS 43 HA CYS 43 23.540 -3.438 15.945
286 HB2 CYS 43 HB2 CYS 43 25.364 -3.366 14.335
287 HB3 CYS 43 HB1 CYS 43 26.419 -2.609 15.523
288 H1 NAG 44 H1 NAG 44 -11.954 7.328 -0.095
289 H2 NAG 44 H2 NAG 44 -14.039 9.129 1.037
290 H3 NAG 44 H3 NAG 44 -14.157 8.098 -1.834
291 H4 NAG 44 H4 NAG 44 -14.680 10.913 -0.800
292 H5 NAG 44 H5 NAG 44 -12.216 11.026 -2.065
293 H61 NAG 44 H61 NAG 44 -13.092 10.972 0.815
294 H62 NAG 44 H62 NAG 44 -11.354 10.923 0.454
295 H81 NAG 44 H81 NAG 44 -15.265 4.824 1.226
296 H82 NAG 44 H82 NAG 44 -15.074 4.146 -0.416
297 H83 NAG 44 H83 NAG 44 -13.723 4.062 0.747
298 HN2 NAG 44 HN2 NAG 44 -14.717 6.968 1.534
299 HO3 NAG 44 HO3 NAG 44 -16.128 7.788 -0.708
300 HO4 NAG 44 HO4 NAG 44 -15.335 10.745 -2.866
301 HO6 NAG 44 HO6 NAG 44 -12.865 12.827 -0.946
302 H1 NAG 45 H1 NAG 45 27.805 -4.399 14.266
303 H2 NAG 45 H2 NAG 45 28.468 -6.881 15.912
304 H3 NAG 45 H3 NAG 45 30.091 -5.354 13.826
305 H4 NAG 45 H4 NAG 45 28.872 -8.159 13.750
306 H5 NAG 45 H5 NAG 45 28.155 -5.639 12.176
307 H61 NAG 45 H61 NAG 45 26.497 -8.148 12.254
308 H62 NAG 45 H62 NAG 45 27.917 -8.109 11.186
309 H81 NAG 45 H81 NAG 45 31.407 -3.310 17.303
310 H82 NAG 45 H82 NAG 45 30.490 -1.919 16.663
311 H83 NAG 45 H83 NAG 45 29.780 -2.945 17.941
312 HN2 NAG 45 HN2 NAG 45 29.454 -5.307 17.301
313 HO3 NAG 45 HO3 NAG 45 31.694 -6.582 14.506
314 HO4 NAG 45 HO4 NAG 45 30.150 -8.401 12.072
315 HO6 NAG 45 HO6 NAG 45 26.982 -6.573 9.972
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 -4.834 -17.280 2.841
2 H2 LYS 1 HT2 LYS 1 -6.318 -16.963 3.642
3 H3 LYS 1 HT3 LYS 1 -4.918 -17.362 4.551
4 HA LYS 1 HA LYS 1 -5.270 -15.072 4.733
5 HB2 LYS 1 HB2 LYS 1 -2.955 -16.215 4.101
6 HB3 LYS 1 HB1 LYS 1 -3.119 -15.211 2.667
7 HG2 LYS 1 HG2 LYS 1 -3.222 -13.219 4.017
8 HG3 LYS 1 HG1 LYS 1 -3.208 -14.184 5.495
9 HD2 LYS 1 HD2 LYS 1 -0.980 -14.802 5.216
10 HD3 LYS 1 HD1 LYS 1 -0.990 -14.416 3.494
11 HE2 LYS 1 HE2 LYS 1 -1.096 -12.052 3.987
12 HE3 LYS 1 HE1 LYS 1 -1.220 -12.387 5.713
13 HZ1 LYS 1 HZ1 LYS 1 1.071 -13.640 4.589
14 HZ2 LYS 1 HZ2 LYS 1 0.974 -12.535 5.866
15 HZ3 LYS 1 HZ3 LYS 1 1.086 -11.977 4.274
16 HA PRO 2 HA PRO 2 -7.858 -13.905 1.113
17 HB2 PRO 2 HB2 PRO 2 -8.473 -11.732 3.047
18 HB3 PRO 2 HB1 PRO 2 -9.570 -12.718 2.074
19 HG2 PRO 2 HG2 PRO 2 -9.311 -13.147 4.691
20 HG3 PRO 2 HG1 PRO 2 -9.499 -14.498 3.557
21 HD2 PRO 2 HD2 PRO 2 -7.043 -13.511 4.941
22 HD3 PRO 2 HD1 PRO 2 -7.534 -15.174 4.563
23 H ALA 3 HN ALA 3 -7.664 -12.220 -0.364
24 HA ALA 3 HA ALA 3 -5.745 -10.089 0.236
25 HB1 ALA 3 HB1 ALA 3 -5.371 -12.271 -1.694
26 HB2 ALA 3 HB2 ALA 3 -4.182 -11.247 -0.891
27 HB3 ALA 3 HB3 ALA 3 -5.035 -10.656 -2.317
28 H TRP 4 HN TRP 4 -7.755 -8.860 0.315
29 HA TRP 4 HA TRP 4 -8.867 -8.302 -2.350
30 HB2 TRP 4 HB2 TRP 4 -10.730 -7.214 -0.871
31 HB3 TRP 4 HB1 TRP 4 -10.704 -8.955 -1.107
32 HD1 TRP 4 HD1 TRP 4 -10.002 -10.462 0.995
33 HE1 TRP 4 HE1 TRP 4 -9.986 -9.972 3.523
34 HE3 TRP 4 HE3 TRP 4 -10.319 -5.372 0.824
35 HZ2 TRP 4 HZ2 TRP 4 -10.095 -7.716 5.219
36 HZ3 TRP 4 HZ3 TRP 4 -10.360 -4.117 2.941
37 HH2 TRP 4 HH2 TRP 4 -10.250 -5.267 5.093
38 H CYS 5 HN CYS 5 -6.402 -7.175 -1.397
39 HA CYS 5 HA CYS 5 -6.573 -4.649 -0.287
40 HB2 CYS 5 HB2 CYS 5 -4.689 -5.444 -2.514
41 HB3 CYS 5 HB1 CYS 5 -4.437 -4.179 -1.317
42 H TRP 6 HN TRP 6 -6.174 -5.205 -3.793
43 HA TRP 6 HA TRP 6 -6.828 -2.679 -4.639
44 HB2 TRP 6 HB2 TRP 6 -7.202 -3.576 -6.808
45 HB3 TRP 6 HB1 TRP 6 -5.944 -4.552 -6.056
46 HD1 TRP 6 HD1 TRP 6 -6.624 -7.029 -5.290
47 HE1 TRP 6 HE1 TRP 6 -8.479 -8.613 -6.138
48 HE3 TRP 6 HE3 TRP 6 -9.536 -3.605 -7.666
49 HZ2 TRP 6 HZ2 TRP 6 -10.882 -8.410 -7.629
50 HZ3 TRP 6 HZ3 TRP 6 -11.601 -4.362 -8.783
51 HH2 TRP 6 HH2 TRP 6 -12.257 -6.716 -8.762
52 H TYR 7 HN TYR 7 -8.932 -5.235 -3.579
53 HA TYR 7 HA TYR 7 -11.382 -4.356 -4.580
54 HB2 TYR 7 HB2 TYR 7 -10.494 -6.295 -2.721
55 HB3 TYR 7 HB1 TYR 7 -11.697 -5.320 -1.882
56 HD1 TYR 7 HD1 TYR 7 -11.574 -6.209 -5.481
57 HD2 TYR 7 HD2 TYR 7 -13.545 -6.757 -1.753
58 HE1 TYR 7 HE1 TYR 7 -13.362 -7.460 -6.618
59 HE2 TYR 7 HE2 TYR 7 -15.340 -8.009 -2.877
60 HH TYR 7 HH TYR 7 -16.305 -8.308 -5.033
61 H THR 8 HN THR 8 -9.739 -3.561 -1.545
62 HA THR 8 HA THR 8 -11.612 -1.782 -0.502
63 HB THR 8 HB THR 8 -8.612 -1.969 -0.219
64 HG1 THR 8 HG1 THR 8 -10.825 -2.660 1.395
65 HG21 THR 8 HG21 THR 8 -9.585 -0.557 1.981
66 HG22 THR 8 HG22 THR 8 -10.229 0.269 0.561
67 HG23 THR 8 HG23 THR 8 -8.490 0.025 0.728
68 H LEU 9 HN LEU 9 -9.092 -1.354 -2.900
69 HA LEU 9 HA LEU 9 -9.301 1.488 -3.058
70 HB2 LEU 9 HB2 LEU 9 -8.111 -0.600 -4.870
71 HB3 LEU 9 HB1 LEU 9 -8.103 1.105 -5.279
72 HG LEU 9 HG LEU 9 -5.992 0.160 -4.219
73 HD11 LEU 9 HD11 LEU 9 -7.229 2.483 -2.761
74 HD12 LEU 9 HD12 LEU 9 -6.610 2.583 -4.408
75 HD13 LEU 9 HD13 LEU 9 -5.519 2.188 -3.080
76 HD21 LEU 9 HD21 LEU 9 -7.718 0.294 -1.747
77 HD22 LEU 9 HD22 LEU 9 -5.979 0.001 -1.784
78 HD23 LEU 9 HD23 LEU 9 -7.087 -1.177 -2.491
79 H ALA 10 HN ALA 10 -10.668 -1.197 -4.923
80 HA ALA 10 HA ALA 10 -11.941 0.376 -6.887
81 HB1 ALA 10 HB1 ALA 10 -12.408 -1.616 -7.751
82 HB2 ALA 10 HB2 ALA 10 -13.401 -2.043 -6.357
83 HB3 ALA 10 HB3 ALA 10 -11.666 -2.354 -6.332
84 H MET 11 HN MET 11 -13.205 -1.096 -3.899
85 HA MET 11 HA MET 11 -15.812 -0.050 -4.148
86 HB2 MET 11 HB2 MET 11 -16.163 -0.771 -1.900
87 HB3 MET 11 HB1 MET 11 -15.117 -1.957 -2.667
88 HG2 MET 11 HG2 MET 11 -13.820 -1.742 -0.874
89 HG3 MET 11 HG1 MET 11 -13.325 -0.194 -1.562
90 HE1 MET 11 HE1 MET 11 -15.912 -1.005 2.073
91 HE2 MET 11 HE2 MET 11 -14.280 -1.622 1.811
92 HE3 MET 11 HE3 MET 11 -15.594 -2.120 0.743
93 H CYS 12 HN CYS 12 -12.842 1.360 -3.103
94 HA CYS 12 HA CYS 12 -13.587 3.319 -1.337
95 HB2 CYS 12 HB2 CYS 12 -11.334 2.761 -2.875
96 HB3 CYS 12 HB1 CYS 12 -11.793 4.390 -3.358
97 H GLY 13 HN GLY 13 -13.683 5.744 -1.856
98 HA2 GLY 13 HA2 GLY 13 -15.928 6.122 -3.669
99 HA3 GLY 13 HA1 GLY 13 -15.318 7.290 -2.508
100 H ALA 14 HN ALA 14 -13.834 5.552 -5.245
101 HA ALA 14 HA ALA 14 -12.797 6.307 -7.130
102 HB1 ALA 14 HB1 ALA 14 -13.499 8.277 -8.147
103 HB2 ALA 14 HB2 ALA 14 -13.798 9.082 -6.606
104 HB3 ALA 14 HB3 ALA 14 -14.887 7.813 -7.165
105 H GLY 15 HN GLY 15 -12.675 9.178 -5.013
106 HA2 GLY 15 HA2 GLY 15 -9.943 9.688 -5.560
107 HA3 GLY 15 HA1 GLY 15 -10.885 10.409 -4.263
108 H TYR 16 HN TYR 16 -8.476 10.066 -3.481
109 HA TYR 16 HA TYR 16 -8.399 7.493 -2.046
110 HB2 TYR 16 HB2 TYR 16 -5.869 8.022 -1.910
111 HB3 TYR 16 HB1 TYR 16 -6.519 7.428 -3.434
112 HD1 TYR 16 HD2 TYR 16 -5.209 10.376 -1.669
113 HD2 TYR 16 HD1 TYR 16 -6.582 8.833 -5.388
114 HE1 TYR 16 HE2 TYR 16 -4.293 12.347 -2.818
115 HE2 TYR 16 HE1 TYR 16 -5.669 10.799 -6.548
116 HH TYR 16 HH TYR 16 -4.793 13.590 -5.024
117 H ASP 17 HN ASP 17 -6.903 7.719 -0.024
118 HA ASP 17 HA ASP 17 -6.653 8.542 2.080
119 HB2 ASP 17 HB2 ASP 17 -5.507 10.368 0.745
120 HB3 ASP 17 HB1 ASP 17 -7.007 11.283 0.863
121 H SER 18 HN SER 18 -8.930 7.533 2.130
122 HA SER 18 HA SER 18 -10.795 9.581 3.127
123 HB2 SER 18 HB2 SER 18 -11.222 7.463 1.126
124 HB3 SER 18 HB1 SER 18 -12.467 7.558 2.371
125 H GLY 19 HN GLY 19 -9.778 6.188 3.299
126 HA2 GLY 19 HA2 GLY 19 -9.811 6.114 6.110
127 HA3 GLY 19 HA1 GLY 19 -11.328 5.452 5.522
128 H THR 20 HN THR 20 -11.287 3.546 4.228
129 HA THR 20 HA THR 20 -9.393 1.633 5.105
130 HB THR 20 HB THR 20 -11.040 1.112 2.679
131 HG1 THR 20 HG1 THR 20 -12.905 0.966 3.933
132 HG21 THR 20 HG21 THR 20 -10.960 -1.010 3.324
133 HG22 THR 20 HG22 THR 20 -11.374 -0.609 4.991
134 HG23 THR 20 HG23 THR 20 -9.700 -0.499 4.446
135 H CYS 21 HN CYS 21 -9.714 3.546 2.183
136 HA CYS 21 HA CYS 21 -8.031 2.224 0.454
137 HB2 CYS 21 HB2 CYS 21 -9.015 4.953 0.757
138 HB3 CYS 21 HB1 CYS 21 -7.426 4.888 0.002
139 H ASP 22 HN ASP 22 -6.979 5.023 2.400
140 HA ASP 22 HA ASP 22 -4.250 4.632 1.996
141 HB2 ASP 22 HB2 ASP 22 -5.766 6.555 3.195
142 HB3 ASP 22 HB1 ASP 22 -4.979 5.821 4.588
143 H TYR 23 HN TYR 23 -6.423 3.089 4.223
144 HA TYR 23 HA TYR 23 -4.315 2.082 5.919
145 HB2 TYR 23 HB2 TYR 23 -6.557 2.564 6.830
146 HB3 TYR 23 HB1 TYR 23 -7.239 1.312 5.798
147 HD1 TYR 23 HD1 TYR 23 -4.721 1.818 8.497
148 HD2 TYR 23 HD2 TYR 23 -7.408 -0.871 6.588
149 HE1 TYR 23 HE1 TYR 23 -4.283 0.147 10.248
150 HE2 TYR 23 HE2 TYR 23 -6.980 -2.548 8.334
151 HH TYR 23 HH TYR 23 -6.060 -2.206 11.032
152 H MET 24 HN MET 24 -6.851 0.269 4.204
153 HA MET 24 HA MET 24 -5.588 -2.167 4.134
154 HB2 MET 24 HB2 MET 24 -7.877 -0.977 2.937
155 HB3 MET 24 HB1 MET 24 -7.014 -1.856 1.682
156 HG2 MET 24 HG2 MET 24 -7.376 -3.273 4.239
157 HG3 MET 24 HG1 MET 24 -8.836 -2.968 3.298
158 HE1 MET 24 HE1 MET 24 -6.077 -5.913 3.583
159 HE2 MET 24 HE2 MET 24 -5.431 -4.273 3.558
160 HE3 MET 24 HE3 MET 24 -5.157 -5.350 2.188
161 H TYR 25 HN TYR 25 -5.548 0.295 1.555
162 HA TYR 25 HA TYR 25 -3.923 -1.003 -0.257
163 HB2 TYR 25 HB2 TYR 25 -5.134 1.279 -0.419
164 HB3 TYR 25 HB1 TYR 25 -3.650 1.948 0.243
165 HD1 TYR 25 HD1 TYR 25 -4.042 -0.838 -2.191
166 HD2 TYR 25 HD2 TYR 25 -2.762 3.168 -1.548
167 HE1 TYR 25 HE1 TYR 25 -3.072 -0.792 -4.449
168 HE2 TYR 25 HE2 TYR 25 -1.789 3.226 -3.806
169 HH TYR 25 HH TYR 25 -0.871 1.276 -5.465
170 H SER 26 HN SER 26 -2.765 1.515 1.981
171 HA SER 26 HA SER 26 -0.059 1.133 1.620
172 HB2 SER 26 HB2 SER 26 -1.288 2.942 2.978
173 HB3 SER 26 HB1 SER 26 -1.208 1.804 4.323
174 HG SER 26 HG SER 26 0.574 3.255 4.282
175 H HIS 27 HN HIS 27 -1.926 -0.167 4.373
176 HA HIS 27 HA HIS 27 -0.021 -1.745 5.525
177 HB2 HIS 27 HB2 HIS 27 -2.666 -1.368 5.955
178 HB3 HIS 27 HB1 HIS 27 -2.685 -3.015 5.334
179 HD1 HIS 27 HD1 HIS 27 -2.129 -1.107 8.369
180 HD2 HIS 27 HD2 HIS 27 -0.949 -4.806 6.891
181 HE1 HIS 27 HE1 HIS 27 -1.334 -2.406 10.369
182 HE2 HIS 27 HE2 HIS 27 -0.569 -4.621 9.443
183 H CYS 28 HN CYS 28 -2.148 -2.674 2.832
184 HA CYS 28 HA CYS 28 -1.421 -5.320 2.557
185 HB2 CYS 28 HB2 CYS 28 -3.215 -4.246 1.255
186 HB3 CYS 28 HB1 CYS 28 -2.009 -3.363 0.325
187 H PHE 29 HN PHE 29 0.347 -2.450 1.632
188 HA PHE 29 HA PHE 29 2.544 -4.174 0.689
189 HB2 PHE 29 HB2 PHE 29 1.310 -1.805 -0.516
190 HB3 PHE 29 HB1 PHE 29 3.065 -1.699 -0.407
191 HD1 PHE 29 HD1 PHE 29 0.296 -3.823 -1.658
192 HD2 PHE 29 HD2 PHE 29 4.428 -2.839 -1.919
193 HE1 PHE 29 HE1 PHE 29 0.500 -5.230 -3.666
194 HE2 PHE 29 HE2 PHE 29 4.639 -4.244 -3.927
195 HZ PHE 29 HZ PHE 29 2.675 -5.442 -4.804
196 H GLY 30 HN GLY 30 2.082 -3.372 3.407
197 HA2 GLY 30 HA2 GLY 30 3.976 -1.237 3.941
198 HA3 GLY 30 HA1 GLY 30 3.018 -2.102 5.130
199 H ILE 31 HN ILE 31 4.657 -4.106 2.902
200 HA ILE 31 HA ILE 31 7.090 -4.312 4.452
201 HB ILE 31 HB ILE 31 6.655 -6.874 4.660
202 HG12 ILE 31 HG12 ILE 31 3.850 -5.750 4.541
203 HG13 ILE 31 HG11 ILE 31 4.542 -6.998 3.509
204 HG21 ILE 31 HG21 ILE 31 6.221 -6.578 6.905
205 HG22 ILE 31 HG22 ILE 31 5.111 -5.238 6.623
206 HG23 ILE 31 HG23 ILE 31 6.849 -4.996 6.450
207 HD11 ILE 31 HD11 ILE 31 4.861 -8.056 6.010
208 HD12 ILE 31 HD12 ILE 31 3.550 -8.430 4.891
209 HD13 ILE 31 HD13 ILE 31 3.321 -7.206 6.141
210 H LYS 32 HN LYS 32 7.656 -3.606 2.219
211 HA LYS 32 HA LYS 32 8.493 -5.905 0.682
212 HB2 LYS 32 HB2 LYS 32 6.095 -4.792 -0.037
213 HB3 LYS 32 HB1 LYS 32 7.220 -3.911 -1.062
214 HG2 LYS 32 HG2 LYS 32 7.666 -6.802 -1.002
215 HG3 LYS 32 HG1 LYS 32 6.104 -6.315 -1.662
216 HD2 LYS 32 HD2 LYS 32 7.207 -4.843 -3.249
217 HD3 LYS 32 HD1 LYS 32 8.779 -5.246 -2.558
218 HE2 LYS 32 HE2 LYS 32 7.161 -7.547 -3.414
219 HE3 LYS 32 HE1 LYS 32 7.687 -6.476 -4.713
220 HZ1 LYS 32 HZ1 LYS 32 9.592 -7.469 -2.686
221 HZ2 LYS 32 HZ2 LYS 32 9.914 -6.865 -4.234
222 HZ3 LYS 32 HZ3 LYS 32 9.210 -8.392 -4.053
223 H HIS 33 HN HIS 33 9.807 -3.840 2.191
224 HA HIS 33 HA HIS 33 11.676 -2.550 2.041
225 HB2 HIS 33 HB2 HIS 33 12.060 -4.377 0.122
226 HB3 HIS 33 HB1 HIS 33 11.955 -2.944 -0.895
227 HD1 HIS 33 HD1 HIS 33 14.194 -4.736 1.420
228 HD2 HIS 33 HD2 HIS 33 14.017 -1.010 -0.410
229 HE1 HIS 33 HE1 HIS 33 16.494 -3.752 1.677
230 HE2 HIS 33 HE2 HIS 33 16.339 -1.463 0.636
231 H HIS 34 HN HIS 34 10.611 -0.619 2.450
232 HA HIS 34 HA HIS 34 9.393 0.881 0.311
233 HB2 HIS 34 HB2 HIS 34 9.381 0.954 3.176
234 HB3 HIS 34 HB1 HIS 34 9.821 2.546 2.566
235 HD1 HIS 34 HD1 HIS 34 7.416 0.295 0.759
236 HD2 HIS 34 HD2 HIS 34 7.369 3.713 3.120
237 HE1 HIS 34 HE1 HIS 34 5.073 1.193 0.592
238 HE2 HIS 34 HE2 HIS 34 5.085 3.297 1.979
239 H SER 35 HN SER 35 10.744 1.670 -1.187
240 HA SER 35 HA SER 35 12.417 3.841 -0.655
241 HB2 SER 35 HB2 SER 35 13.685 1.533 0.114
242 HB3 SER 35 HB1 SER 35 14.266 1.732 -1.539
243 HG SER 35 HG SER 35 15.219 2.920 0.525
244 H SER 36 HN SER 36 13.277 4.772 -2.543
245 HA SER 36 HA SER 36 13.135 3.401 -5.064
246 HB2 SER 36 HB2 SER 36 10.736 4.136 -4.517
247 HB3 SER 36 HB1 SER 36 11.313 5.784 -4.772
248 HG SER 36 HG SER 36 10.757 5.282 -6.765
249 H GLY 37 HN GLY 37 13.364 5.225 -6.888
250 HA2 GLY 37 HA2 GLY 37 14.621 7.649 -6.310
251 HA3 GLY 37 HA1 GLY 37 15.879 6.427 -6.429
252 H SER 38 HN SER 38 16.470 8.000 -8.218
253 HA SER 38 HA SER 38 14.887 7.857 -10.621
254 HB2 SER 38 HB2 SER 38 16.104 9.897 -10.214
255 HB3 SER 38 HB1 SER 38 17.625 9.016 -10.062
256 HG SER 38 HG SER 38 16.792 10.097 -12.207
257 H SER 39 HN SER 39 18.091 6.664 -9.630
258 HA SER 39 HA SER 39 17.817 4.533 -11.639
259 HB2 SER 39 HB2 SER 39 19.941 6.547 -11.376
260 HB3 SER 39 HB1 SER 39 20.534 4.890 -11.492
261 HG SER 39 HG SER 39 19.883 4.791 -13.500
262 H SER 40 HN SER 40 19.922 5.527 -8.931
263 HA SER 40 HA SER 40 20.652 4.411 -7.088
264 HB2 SER 40 HB2 SER 40 18.628 2.241 -7.551
265 HB3 SER 40 HB1 SER 40 19.217 2.905 -6.027
266 HG SER 40 HG SER 40 17.093 3.657 -7.493
267 H TYR 41 HN TYR 41 22.372 4.039 -8.900
268 HA TYR 41 HA TYR 41 22.791 1.135 -9.182
269 HB2 TYR 41 HB2 TYR 41 23.420 3.428 -11.003
270 HB3 TYR 41 HB1 TYR 41 24.433 1.988 -11.051
271 HD1 TYR 41 HD1 TYR 41 22.446 -0.147 -10.629
272 HD2 TYR 41 HD2 TYR 41 22.222 3.378 -13.000
273 HE1 TYR 41 HE1 TYR 41 20.815 -1.249 -12.103
274 HE2 TYR 41 HE2 TYR 41 20.590 2.287 -14.479
275 HH TYR 41 HH TYR 41 20.146 -0.762 -14.799
276 H HIS 42 HN HIS 42 24.970 3.919 -9.520
277 HA HIS 42 HA HIS 42 26.504 2.997 -7.207
278 HB2 HIS 42 HB2 HIS 42 27.893 3.636 -9.805
279 HB3 HIS 42 HB1 HIS 42 28.567 2.876 -8.368
280 HD1 HIS 42 HD1 HIS 42 27.844 0.364 -7.930
281 HD2 HIS 42 HD2 HIS 42 26.771 1.913 -11.634
282 HE1 HIS 42 HE1 HIS 42 27.250 -1.628 -9.346
283 HE2 HIS 42 HE2 HIS 42 26.698 -0.672 -11.611
284 H CYS 43 HN CYS 43 28.246 4.594 -6.627
285 HA CYS 43 HA CYS 43 28.043 7.266 -7.623
286 HB2 CYS 43 HB2 CYS 43 27.081 8.344 -5.716
287 HB3 CYS 43 HB1 CYS 43 25.981 7.057 -6.197
288 H1 NAG 44 H1 NAG 44 -13.398 9.521 2.988
289 H2 NAG 44 H2 NAG 44 -12.070 11.698 1.437
290 H3 NAG 44 H3 NAG 44 -13.649 13.359 2.663
291 H4 NAG 44 H4 NAG 44 -15.964 12.603 2.917
292 H5 NAG 44 H5 NAG 44 -15.945 9.838 2.952
293 H61 NAG 44 H61 NAG 44 -16.631 11.683 0.625
294 H62 NAG 44 H62 NAG 44 -17.711 11.214 1.957
295 H81 NAG 44 H81 NAG 44 -10.204 13.568 5.343
296 H82 NAG 44 H82 NAG 44 -11.629 12.771 6.066
297 H83 NAG 44 H83 NAG 44 -10.289 11.787 5.416
298 HN2 NAG 44 HN2 NAG 44 -12.070 10.756 4.114
299 HO3 NAG 44 HO3 NAG 44 -13.801 13.410 0.505
300 HO4 NAG 44 HO4 NAG 44 -14.520 10.605 4.289
301 HO6 NAG 44 HO6 NAG 44 -17.614 9.972 -0.255
302 H1 NAG 45 H1 NAG 45 25.521 4.832 -4.694
303 H2 NAG 45 H2 NAG 45 26.081 5.035 -1.995
304 H3 NAG 45 H3 NAG 45 23.999 5.555 -0.844
305 H4 NAG 45 H4 NAG 45 22.218 6.817 -2.271
306 H5 NAG 45 H5 NAG 45 22.964 5.027 -4.539
307 H61 NAG 45 H61 NAG 45 22.058 6.750 -5.879
308 H62 NAG 45 H62 NAG 45 22.278 7.977 -4.612
309 H81 NAG 45 H81 NAG 45 24.029 1.368 -4.288
310 H82 NAG 45 H82 NAG 45 25.515 0.643 -3.616
311 H83 NAG 45 H83 NAG 45 24.193 1.140 -2.524
312 HN2 NAG 45 HN2 NAG 45 23.733 3.507 -2.401
313 HO3 NAG 45 HO3 NAG 45 24.549 7.599 -0.899
314 HO4 NAG 45 HO4 NAG 45 21.275 4.728 -2.797
315 HO6 NAG 45 HO6 NAG 45 20.059 6.901 -5.010
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 -5.927 -17.635 -0.745
2 H2 LYS 1 HT2 LYS 1 -6.065 -16.719 0.699
3 H3 LYS 1 HT3 LYS 1 -4.612 -17.563 0.351
4 HA LYS 1 HA LYS 1 -4.011 -15.513 -0.245
5 HB2 LYS 1 HB2 LYS 1 -5.026 -17.185 -2.425
6 HB3 LYS 1 HB1 LYS 1 -4.881 -15.489 -2.864
7 HG2 LYS 1 HG2 LYS 1 -2.870 -16.762 -3.419
8 HG3 LYS 1 HG1 LYS 1 -2.542 -15.494 -2.236
9 HD2 LYS 1 HD2 LYS 1 -2.374 -17.039 -0.468
10 HD3 LYS 1 HD1 LYS 1 -3.129 -18.324 -1.414
11 HE2 LYS 1 HE2 LYS 1 -1.177 -18.946 -2.300
12 HE3 LYS 1 HE1 LYS 1 -0.738 -17.282 -2.686
13 HZ1 LYS 1 HZ1 LYS 1 -0.281 -18.752 -0.159
14 HZ2 LYS 1 HZ2 LYS 1 -0.184 -17.065 -0.242
15 HZ3 LYS 1 HZ3 LYS 1 0.862 -18.019 -1.169
16 HA PRO 2 HA PRO 2 -8.062 -13.251 0.257
17 HB2 PRO 2 HB2 PRO 2 -6.399 -11.598 2.042
18 HB3 PRO 2 HB1 PRO 2 -7.962 -12.359 2.350
19 HG2 PRO 2 HG2 PRO 2 -5.707 -13.270 3.481
20 HG3 PRO 2 HG1 PRO 2 -7.013 -14.363 2.986
21 HD2 PRO 2 HD2 PRO 2 -4.417 -13.769 1.619
22 HD3 PRO 2 HD1 PRO 2 -5.260 -15.320 1.811
23 H ALA 3 HN ALA 3 -8.086 -12.296 -1.748
24 HA ALA 3 HA ALA 3 -6.134 -10.203 -2.343
25 HB1 ALA 3 HB1 ALA 3 -7.652 -10.254 -4.546
26 HB2 ALA 3 HB2 ALA 3 -7.965 -11.883 -3.947
27 HB3 ALA 3 HB3 ALA 3 -6.312 -11.368 -4.278
28 H TRP 4 HN TRP 4 -7.769 -9.502 -0.272
29 HA TRP 4 HA TRP 4 -10.000 -7.949 -1.257
30 HB2 TRP 4 HB2 TRP 4 -9.251 -9.075 1.221
31 HB3 TRP 4 HB1 TRP 4 -9.312 -7.333 1.461
32 HD1 TRP 4 HD1 TRP 4 -11.530 -10.327 0.682
33 HE1 TRP 4 HE1 TRP 4 -13.994 -9.635 0.970
34 HE3 TRP 4 HE3 TRP 4 -10.884 -5.301 1.332
35 HZ2 TRP 4 HZ2 TRP 4 -15.466 -7.266 1.414
36 HZ3 TRP 4 HZ3 TRP 4 -12.871 -3.891 1.683
37 HH2 TRP 4 HH2 TRP 4 -15.113 -4.855 1.723
38 H CYS 5 HN CYS 5 -6.730 -7.403 -1.237
39 HA CYS 5 HA CYS 5 -6.483 -4.811 -0.221
40 HB2 CYS 5 HB2 CYS 5 -4.933 -5.968 -2.545
41 HB3 CYS 5 HB1 CYS 5 -4.423 -4.671 -1.470
42 H TRP 6 HN TRP 6 -6.425 -5.569 -3.709
43 HA TRP 6 HA TRP 6 -6.915 -3.052 -4.649
44 HB2 TRP 6 HB2 TRP 6 -7.682 -4.053 -6.712
45 HB3 TRP 6 HB1 TRP 6 -6.323 -4.971 -6.068
46 HD1 TRP 6 HD1 TRP 6 -6.771 -7.423 -5.276
47 HE1 TRP 6 HE1 TRP 6 -8.747 -9.050 -5.631
48 HE3 TRP 6 HE3 TRP 6 -10.250 -4.079 -6.881
49 HZ2 TRP 6 HZ2 TRP 6 -11.445 -8.906 -6.483
50 HZ3 TRP 6 HZ3 TRP 6 -12.509 -4.886 -7.448
51 HH2 TRP 6 HH2 TRP 6 -13.092 -7.250 -7.250
52 H TYR 7 HN TYR 7 -9.244 -5.384 -3.443
53 HA TYR 7 HA TYR 7 -11.630 -4.321 -4.313
54 HB2 TYR 7 HB2 TYR 7 -10.763 -6.008 -2.103
55 HB3 TYR 7 HB1 TYR 7 -12.148 -5.014 -1.666
56 HD1 TYR 7 HD2 TYR 7 -14.193 -5.092 -3.220
57 HD2 TYR 7 HD1 TYR 7 -11.053 -7.960 -3.346
58 HE1 TYR 7 HE2 TYR 7 -15.687 -6.670 -4.371
59 HE2 TYR 7 HE1 TYR 7 -12.538 -9.545 -4.498
60 HH TYR 7 HH TYR 7 -15.654 -9.465 -4.516
61 H THR 8 HN THR 8 -9.893 -3.467 -1.330
62 HA THR 8 HA THR 8 -11.601 -1.412 -0.505
63 HB THR 8 HB THR 8 -8.694 -2.009 0.013
64 HG1 THR 8 HG1 THR 8 -9.642 -2.347 2.146
65 HG21 THR 8 HG21 THR 8 -9.381 -0.335 2.049
66 HG22 THR 8 HG22 THR 8 -10.085 0.477 0.650
67 HG23 THR 8 HG23 THR 8 -8.363 0.094 0.674
68 H LEU 9 HN LEU 9 -8.958 -1.462 -2.800
69 HA LEU 9 HA LEU 9 -8.762 1.381 -3.060
70 HB2 LEU 9 HB2 LEU 9 -7.714 -0.947 -4.636
71 HB3 LEU 9 HB1 LEU 9 -7.531 0.694 -5.227
72 HG LEU 9 HG LEU 9 -5.526 -0.131 -4.044
73 HD11 LEU 9 HD11 LEU 9 -6.511 1.976 -2.232
74 HD12 LEU 9 HD12 LEU 9 -6.599 2.331 -3.958
75 HD13 LEU 9 HD13 LEU 9 -5.051 1.914 -3.220
76 HD21 LEU 9 HD21 LEU 9 -7.363 -0.196 -1.651
77 HD22 LEU 9 HD22 LEU 9 -5.609 -0.377 -1.598
78 HD23 LEU 9 HD23 LEU 9 -6.595 -1.582 -2.426
79 H ALA 10 HN ALA 10 -10.387 -1.174 -4.897
80 HA ALA 10 HA ALA 10 -11.290 0.454 -7.013
81 HB1 ALA 10 HB1 ALA 10 -12.441 -2.112 -5.924
82 HB2 ALA 10 HB2 ALA 10 -11.248 -1.955 -7.214
83 HB3 ALA 10 HB3 ALA 10 -12.893 -1.366 -7.457
84 H MET 11 HN MET 11 -12.672 -0.344 -3.873
85 HA MET 11 HA MET 11 -15.230 0.756 -4.303
86 HB2 MET 11 HB2 MET 11 -13.609 0.123 -1.861
87 HB3 MET 11 HB1 MET 11 -15.138 0.978 -1.707
88 HG2 MET 11 HG2 MET 11 -16.257 -0.881 -2.882
89 HG3 MET 11 HG1 MET 11 -14.719 -1.745 -2.921
90 HE1 MET 11 HE1 MET 11 -17.732 -0.541 -0.649
91 HE2 MET 11 HE2 MET 11 -16.376 0.502 -0.217
92 HE3 MET 11 HE3 MET 11 -16.988 -0.677 0.945
93 H CYS 12 HN CYS 12 -12.162 2.192 -3.539
94 HA CYS 12 HA CYS 12 -12.878 4.583 -2.369
95 HB2 CYS 12 HB2 CYS 12 -10.560 3.498 -3.502
96 HB3 CYS 12 HB1 CYS 12 -10.826 5.006 -4.370
97 H GLY 13 HN GLY 13 -12.029 4.430 -5.824
98 HA2 GLY 13 HA2 GLY 13 -13.400 5.156 -7.617
99 HA3 GLY 13 HA1 GLY 13 -14.431 5.983 -6.461
100 H ALA 14 HN ALA 14 -12.044 7.165 -5.117
101 HA ALA 14 HA ALA 14 -11.421 9.203 -7.154
102 HB1 ALA 14 HB1 ALA 14 -12.032 10.836 -5.762
103 HB2 ALA 14 HB2 ALA 14 -11.180 10.108 -4.402
104 HB3 ALA 14 HB3 ALA 14 -12.811 9.578 -4.805
105 H GLY 15 HN GLY 15 -10.224 7.571 -4.235
106 HA2 GLY 15 HA2 GLY 15 -8.009 6.648 -4.170
107 HA3 GLY 15 HA1 GLY 15 -7.496 7.900 -5.291
108 H TYR 16 HN TYR 16 -9.534 8.728 -2.613
109 HA TYR 16 HA TYR 16 -7.367 10.330 -1.496
110 HB2 TYR 16 HB2 TYR 16 -10.239 10.583 -1.679
111 HB3 TYR 16 HB1 TYR 16 -9.713 10.759 -0.008
112 HD1 TYR 16 HD2 TYR 16 -7.573 12.339 0.268
113 HD2 TYR 16 HD1 TYR 16 -10.321 12.487 -2.977
114 HE1 TYR 16 HE2 TYR 16 -6.906 14.662 -0.182
115 HE2 TYR 16 HE1 TYR 16 -9.659 14.810 -3.438
116 HH TYR 16 HH TYR 16 -8.186 16.745 -1.385
117 H ASP 17 HN ASP 17 -7.789 10.578 1.074
118 HA ASP 17 HA ASP 17 -7.238 7.916 2.124
119 HB2 ASP 17 HB2 ASP 17 -6.976 10.651 3.395
120 HB3 ASP 17 HB1 ASP 17 -6.502 9.135 4.158
121 H SER 18 HN SER 18 -9.835 8.025 1.465
122 HA SER 18 HA SER 18 -11.703 9.032 3.209
123 HB2 SER 18 HB2 SER 18 -12.147 7.764 1.073
124 HB3 SER 18 HB1 SER 18 -11.878 6.275 1.980
125 H GLY 19 HN GLY 19 -10.160 5.817 3.433
126 HA2 GLY 19 HA2 GLY 19 -9.754 5.873 6.185
127 HA3 GLY 19 HA1 GLY 19 -11.342 5.171 5.926
128 H THR 20 HN THR 20 -11.200 3.507 3.946
129 HA THR 20 HA THR 20 -9.460 1.426 4.908
130 HB THR 20 HB THR 20 -10.985 1.016 2.410
131 HG1 THR 20 HG1 THR 20 -12.821 1.651 3.159
132 HG21 THR 20 HG21 THR 20 -9.876 -0.755 3.932
133 HG22 THR 20 HG22 THR 20 -11.479 -1.065 3.266
134 HG23 THR 20 HG23 THR 20 -11.307 -0.534 4.939
135 H CYS 21 HN CYS 21 -9.839 3.257 1.894
136 HA CYS 21 HA CYS 21 -8.001 2.023 0.284
137 HB2 CYS 21 HB2 CYS 21 -8.298 5.022 0.458
138 HB3 CYS 21 HB1 CYS 21 -7.833 4.070 -0.948
139 H ASP 22 HN ASP 22 -7.247 4.880 2.289
140 HA ASP 22 HA ASP 22 -4.482 4.788 1.893
141 HB2 ASP 22 HB2 ASP 22 -5.989 6.647 2.917
142 HB3 ASP 22 HB1 ASP 22 -5.671 5.828 4.443
143 H TYR 23 HN TYR 23 -6.487 3.263 4.374
144 HA TYR 23 HA TYR 23 -4.253 2.318 5.891
145 HB2 TYR 23 HB2 TYR 23 -6.872 2.658 6.471
146 HB3 TYR 23 HB1 TYR 23 -6.843 0.922 6.179
147 HD1 TYR 23 HD1 TYR 23 -5.392 3.630 8.242
148 HD2 TYR 23 HD2 TYR 23 -5.903 -0.568 7.767
149 HE1 TYR 23 HE1 TYR 23 -4.522 3.272 10.514
150 HE2 TYR 23 HE2 TYR 23 -5.036 -0.936 10.038
151 HH TYR 23 HH TYR 23 -3.351 1.299 11.749
152 H MET 24 HN MET 24 -6.787 0.371 4.309
153 HA MET 24 HA MET 24 -5.518 -2.040 4.296
154 HB2 MET 24 HB2 MET 24 -7.776 -0.915 3.019
155 HB3 MET 24 HB1 MET 24 -6.859 -1.763 1.782
156 HG2 MET 24 HG2 MET 24 -6.981 -3.406 4.101
157 HG3 MET 24 HG1 MET 24 -8.608 -2.839 3.720
158 HE1 MET 24 HE1 MET 24 -6.458 -5.590 3.502
159 HE2 MET 24 HE2 MET 24 -5.446 -4.836 2.272
160 HE3 MET 24 HE3 MET 24 -6.439 -6.233 1.860
161 H TYR 25 HN TYR 25 -5.284 0.420 1.731
162 HA TYR 25 HA TYR 25 -3.610 -0.968 0.003
163 HB2 TYR 25 HB2 TYR 25 -4.759 1.234 -0.433
164 HB3 TYR 25 HB1 TYR 25 -3.489 2.008 0.498
165 HD1 TYR 25 HD1 TYR 25 -3.567 -0.600 -2.184
166 HD2 TYR 25 HD2 TYR 25 -1.971 3.106 -0.836
167 HE1 TYR 25 HE1 TYR 25 -2.167 -0.475 -4.202
168 HE2 TYR 25 HE2 TYR 25 -0.567 3.241 -2.851
169 HH TYR 25 HH TYR 25 -0.900 0.945 -5.478
170 H SER 26 HN SER 26 -2.499 1.666 2.111
171 HA SER 26 HA SER 26 0.201 1.206 1.936
172 HB2 SER 26 HB2 SER 26 -1.391 2.252 4.275
173 HB3 SER 26 HB1 SER 26 0.367 2.321 4.181
174 HG SER 26 HG SER 26 -1.350 4.042 3.196
175 H HIS 27 HN HIS 27 -2.158 -0.518 3.841
176 HA HIS 27 HA HIS 27 -0.249 -1.871 5.494
177 HB2 HIS 27 HB2 HIS 27 -2.791 -1.433 5.906
178 HB3 HIS 27 HB1 HIS 27 -3.015 -2.911 4.978
179 HD1 HIS 27 HD1 HIS 27 -2.024 -5.117 6.031
180 HD2 HIS 27 HD2 HIS 27 -1.954 -1.784 8.511
181 HE1 HIS 27 HE1 HIS 27 -1.607 -6.009 8.345
182 HE2 HIS 27 HE2 HIS 27 -1.657 -3.982 9.841
183 H CYS 28 HN CYS 28 -2.325 -2.934 2.800
184 HA CYS 28 HA CYS 28 -1.176 -5.505 2.585
185 HB2 CYS 28 HB2 CYS 28 -3.376 -5.050 1.673
186 HB3 CYS 28 HB1 CYS 28 -2.710 -3.852 0.570
187 H PHE 29 HN PHE 29 -0.426 -2.412 1.094
188 HA PHE 29 HA PHE 29 1.829 -3.674 -0.315
189 HB2 PHE 29 HB2 PHE 29 -0.015 -1.482 -1.004
190 HB3 PHE 29 HB1 PHE 29 1.678 -1.160 -1.369
191 HD1 PHE 29 HD1 PHE 29 -0.993 -3.696 -1.871
192 HD2 PHE 29 HD2 PHE 29 2.621 -1.978 -3.320
193 HE1 PHE 29 HE1 PHE 29 -1.193 -5.024 -3.932
194 HE2 PHE 29 HE2 PHE 29 2.427 -3.303 -5.386
195 HZ PHE 29 HZ PHE 29 0.531 -4.838 -5.688
196 H GLY 30 HN GLY 30 3.500 -1.634 -0.761
197 HA2 GLY 30 HA2 GLY 30 5.021 -0.171 0.181
198 HA3 GLY 30 HA1 GLY 30 3.956 -0.021 1.570
199 H ILE 31 HN ILE 31 5.151 -0.433 3.316
200 HA ILE 31 HA ILE 31 6.569 -1.457 4.774
201 HB ILE 31 HB ILE 31 5.993 -4.033 3.334
202 HG12 ILE 31 HG12 ILE 31 4.192 -2.487 5.206
203 HG13 ILE 31 HG11 ILE 31 3.846 -2.961 3.546
204 HG21 ILE 31 HG21 ILE 31 7.562 -4.278 5.099
205 HG22 ILE 31 HG22 ILE 31 6.020 -4.888 5.696
206 HG23 ILE 31 HG23 ILE 31 6.587 -3.293 6.189
207 HD11 ILE 31 HD11 ILE 31 3.177 -4.328 5.877
208 HD12 ILE 31 HD12 ILE 31 4.473 -5.268 5.138
209 HD13 ILE 31 HD13 ILE 31 3.017 -4.898 4.216
210 H LYS 32 HN LYS 32 8.244 -0.265 3.405
211 HA LYS 32 HA LYS 32 10.262 -0.180 2.348
212 HB2 LYS 32 HB2 LYS 32 10.954 -1.277 4.401
213 HB3 LYS 32 HB1 LYS 32 10.518 -2.849 3.744
214 HG2 LYS 32 HG2 LYS 32 12.607 -3.058 3.044
215 HG3 LYS 32 HG1 LYS 32 12.303 -1.749 1.900
216 HD2 LYS 32 HD2 LYS 32 14.205 -1.073 3.104
217 HD3 LYS 32 HD1 LYS 32 12.870 -0.166 3.817
218 HE2 LYS 32 HE2 LYS 32 12.898 -2.466 5.310
219 HE3 LYS 32 HE1 LYS 32 14.611 -2.194 5.000
220 HZ1 LYS 32 HZ1 LYS 32 12.809 -0.086 6.047
221 HZ2 LYS 32 HZ2 LYS 32 14.499 -0.067 5.989
222 HZ3 LYS 32 HZ3 LYS 32 13.702 -1.117 7.050
223 H HIS 33 HN HIS 33 9.600 -0.240 0.205
224 HA HIS 33 HA HIS 33 10.621 -2.336 -1.366
225 HB2 HIS 33 HB2 HIS 33 8.115 -2.961 -0.351
226 HB3 HIS 33 HB1 HIS 33 7.770 -2.369 -1.973
227 HD1 HIS 33 HD1 HIS 33 10.198 -3.518 -3.471
228 HD2 HIS 33 HD2 HIS 33 7.933 -5.653 -0.718
229 HE1 HIS 33 HE1 HIS 33 10.560 -5.941 -4.037
230 HE2 HIS 33 HE2 HIS 33 9.135 -7.213 -2.394
231 H HIS 34 HN HIS 34 11.556 -0.681 -2.516
232 HA HIS 34 HA HIS 34 9.796 0.671 -4.402
233 HB2 HIS 34 HB2 HIS 34 11.681 2.105 -2.531
234 HB3 HIS 34 HB1 HIS 34 11.066 2.835 -4.011
235 HD1 HIS 34 HD1 HIS 34 8.537 3.449 -4.065
236 HD2 HIS 34 HD2 HIS 34 9.872 1.969 -0.419
237 HE1 HIS 34 HE1 HIS 34 6.715 3.981 -2.417
238 HE2 HIS 34 HE2 HIS 34 7.581 3.153 -0.201
239 H SER 35 HN SER 35 10.598 0.442 -6.378
240 HA SER 35 HA SER 35 12.024 -0.097 -8.073
241 HB2 SER 35 HB2 SER 35 13.772 1.734 -6.421
242 HB3 SER 35 HB1 SER 35 14.212 1.162 -8.030
243 HG SER 35 HG SER 35 12.842 3.269 -7.532
244 H SER 36 HN SER 36 11.874 -2.048 -6.066
245 HA SER 36 HA SER 36 12.914 -3.911 -5.272
246 HB2 SER 36 HB2 SER 36 14.321 -3.297 -7.828
247 HB3 SER 36 HB1 SER 36 15.018 -4.534 -6.783
248 HG SER 36 HG SER 36 13.293 -5.787 -7.079
249 H GLY 37 HN GLY 37 13.498 -2.621 -3.362
250 HA2 GLY 37 HA2 GLY 37 16.421 -2.554 -3.064
251 HA3 GLY 37 HA1 GLY 37 15.486 -1.141 -2.603
252 H SER 38 HN SER 38 16.745 -4.098 -1.588
253 HA SER 38 HA SER 38 14.922 -4.311 0.688
254 HB2 SER 38 HB2 SER 38 15.309 -6.436 -0.250
255 HB3 SER 38 HB1 SER 38 17.032 -6.127 -0.461
256 HG SER 38 HG SER 38 15.715 -6.377 2.041
257 H SER 39 HN SER 39 18.123 -3.292 -0.146
258 HA SER 39 HA SER 39 18.611 -2.638 2.682
259 HB2 SER 39 HB2 SER 39 20.700 -3.583 0.703
260 HB3 SER 39 HB1 SER 39 20.995 -3.116 2.377
261 HG SER 39 HG SER 39 19.901 -4.894 3.070
262 H SER 40 HN SER 40 17.722 -0.558 2.123
263 HA SER 40 HA SER 40 19.495 1.096 0.456
264 HB2 SER 40 HB2 SER 40 16.942 0.889 -0.012
265 HB3 SER 40 HB1 SER 40 16.768 1.968 1.371
266 HG SER 40 HG SER 40 17.013 3.402 -0.184
267 H TYR 41 HN TYR 41 19.922 0.292 3.273
268 HA TYR 41 HA TYR 41 20.874 2.737 4.275
269 HB2 TYR 41 HB2 TYR 41 18.114 2.173 4.881
270 HB3 TYR 41 HB1 TYR 41 19.064 2.175 6.362
271 HD1 TYR 41 HD2 TYR 41 21.112 4.238 5.589
272 HD2 TYR 41 HD1 TYR 41 16.884 4.165 5.118
273 HE1 TYR 41 HE2 TYR 41 21.072 6.698 5.613
274 HE2 TYR 41 HE1 TYR 41 16.833 6.624 5.139
275 HH TYR 41 HH TYR 41 19.405 8.521 4.630
276 H HIS 42 HN HIS 42 21.939 2.508 6.348
277 HA HIS 42 HA HIS 42 22.123 -0.199 7.417
278 HB2 HIS 42 HB2 HIS 42 23.877 0.190 5.572
279 HB3 HIS 42 HB1 HIS 42 24.651 1.278 6.719
280 HD1 HIS 42 HD1 HIS 42 26.161 -1.191 5.792
281 HD2 HIS 42 HD2 HIS 42 23.737 -1.124 9.166
282 HE1 HIS 42 HE1 HIS 42 26.978 -3.073 7.244
283 HE2 HIS 42 HE2 HIS 42 25.559 -2.952 9.321
284 H CYS 43 HN CYS 43 23.577 3.038 7.637
285 HA CYS 43 HA CYS 43 24.081 2.823 10.437
286 HB2 CYS 43 HB2 CYS 43 24.474 4.828 8.327
287 HB3 CYS 43 HB1 CYS 43 24.132 5.518 9.910
288 H1 NAG 44 H1 NAG 44 -14.032 5.928 1.007
289 H2 NAG 44 H2 NAG 44 -14.949 5.590 3.544
290 H3 NAG 44 H3 NAG 44 -17.480 6.392 2.088
291 H4 NAG 44 H4 NAG 44 -15.697 8.226 3.766
292 H5 NAG 44 H5 NAG 44 -16.880 9.002 1.118
293 H61 NAG 44 H61 NAG 44 -14.427 9.836 0.898
294 H62 NAG 44 H62 NAG 44 -14.301 9.486 2.637
295 H81 NAG 44 H81 NAG 44 -16.878 2.527 0.740
296 H82 NAG 44 H82 NAG 44 -16.044 1.585 2.007
297 H83 NAG 44 H83 NAG 44 -17.795 1.915 2.144
298 HN2 NAG 44 HN2 NAG 44 -15.484 4.357 1.038
299 HO3 NAG 44 HO3 NAG 44 -16.611 6.044 4.784
300 HO4 NAG 44 HO4 NAG 44 -18.436 8.252 3.109
301 HO6 NAG 44 HO6 NAG 44 -14.986 11.687 2.119
302 H1 NAG 45 H1 NAG 45 28.079 5.892 9.658
303 H2 NAG 45 H2 NAG 45 26.114 6.031 7.327
304 H3 NAG 45 H3 NAG 45 28.832 7.358 7.750
305 H4 NAG 45 H4 NAG 45 26.024 8.562 7.609
306 H5 NAG 45 H5 NAG 45 27.971 8.332 9.952
307 H61 NAG 45 H61 NAG 45 25.811 9.051 11.195
308 H62 NAG 45 H62 NAG 45 25.254 9.638 9.612
309 H81 NAG 45 H81 NAG 45 27.808 2.697 4.728
310 H82 NAG 45 H82 NAG 45 29.226 3.341 5.602
311 H83 NAG 45 H83 NAG 45 28.164 2.136 6.386
312 HN2 NAG 45 HN2 NAG 45 28.832 4.809 7.410
313 HO3 NAG 45 HO3 NAG 45 28.597 7.157 5.608
314 HO4 NAG 45 HO4 NAG 45 27.072 10.463 7.683
315 HO6 NAG 45 HO6 NAG 45 27.452 10.755 9.609
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 -8.465 -16.748 -5.147
2 H2 LYS 1 HT2 LYS 1 -7.208 -17.714 -4.490
3 H3 LYS 1 HT3 LYS 1 -6.944 -16.045 -4.788
4 HA LYS 1 HA LYS 1 -8.886 -17.151 -2.873
5 HB2 LYS 1 HB2 LYS 1 -6.035 -16.779 -2.743
6 HB3 LYS 1 HB1 LYS 1 -6.823 -15.680 -1.618
7 HG2 LYS 1 HG2 LYS 1 -8.020 -17.582 -0.625
8 HG3 LYS 1 HG1 LYS 1 -7.171 -18.670 -1.726
9 HD2 LYS 1 HD2 LYS 1 -5.232 -18.540 -0.567
10 HD3 LYS 1 HD1 LYS 1 -5.472 -16.841 -0.152
11 HE2 LYS 1 HE2 LYS 1 -7.063 -17.454 1.567
12 HE3 LYS 1 HE1 LYS 1 -6.944 -19.153 1.109
13 HZ1 LYS 1 HZ1 LYS 1 -5.091 -17.505 2.639
14 HZ2 LYS 1 HZ2 LYS 1 -4.401 -18.640 1.592
15 HZ3 LYS 1 HZ3 LYS 1 -5.470 -19.146 2.802
16 HA PRO 2 HA PRO 2 -10.681 -13.157 -2.391
17 HB2 PRO 2 HB2 PRO 2 -9.620 -12.875 0.365
18 HB3 PRO 2 HB1 PRO 2 -11.291 -12.842 -0.206
19 HG2 PRO 2 HG2 PRO 2 -10.330 -14.951 1.118
20 HG3 PRO 2 HG1 PRO 2 -11.470 -15.149 -0.226
21 HD2 PRO 2 HD2 PRO 2 -8.512 -15.574 -0.170
22 HD3 PRO 2 HD1 PRO 2 -9.770 -16.505 -1.009
23 H ALA 3 HN ALA 3 -10.258 -10.848 -2.035
24 HA ALA 3 HA ALA 3 -7.520 -10.018 -1.633
25 HB1 ALA 3 HB1 ALA 3 -8.784 -9.383 -4.288
26 HB2 ALA 3 HB2 ALA 3 -7.671 -10.730 -4.047
27 HB3 ALA 3 HB3 ALA 3 -7.127 -9.075 -3.770
28 H TRP 4 HN TRP 4 -8.698 -8.987 0.121
29 HA TRP 4 HA TRP 4 -10.679 -7.023 -0.369
30 HB2 TRP 4 HB2 TRP 4 -8.986 -6.805 2.066
31 HB3 TRP 4 HB1 TRP 4 -10.729 -6.674 1.897
32 HD1 TRP 4 HD1 TRP 4 -12.153 -8.893 2.154
33 HE1 TRP 4 HE1 TRP 4 -11.576 -11.244 3.035
34 HE3 TRP 4 HE3 TRP 4 -7.078 -8.523 2.108
35 HZ2 TRP 4 HZ2 TRP 4 -9.251 -12.744 3.632
36 HZ3 TRP 4 HZ3 TRP 4 -5.734 -10.454 2.848
37 HH2 TRP 4 HH2 TRP 4 -6.803 -12.521 3.593
38 H CYS 5 HN CYS 5 -7.218 -7.015 -0.382
39 HA CYS 5 HA CYS 5 -6.611 -4.349 0.028
40 HB2 CYS 5 HB2 CYS 5 -5.348 -6.373 -1.824
41 HB3 CYS 5 HB1 CYS 5 -4.662 -4.779 -1.531
42 H TRP 6 HN TRP 6 -7.090 -5.900 -3.149
43 HA TRP 6 HA TRP 6 -7.211 -3.435 -4.547
44 HB2 TRP 6 HB2 TRP 6 -7.367 -6.268 -5.188
45 HB3 TRP 6 HB1 TRP 6 -8.500 -5.317 -6.144
46 HD1 TRP 6 HD1 TRP 6 -4.870 -6.201 -5.891
47 HE1 TRP 6 HE1 TRP 6 -3.539 -4.952 -7.706
48 HE3 TRP 6 HE3 TRP 6 -8.485 -2.937 -7.445
49 HZ2 TRP 6 HZ2 TRP 6 -3.966 -2.859 -9.552
50 HZ3 TRP 6 HZ3 TRP 6 -7.942 -1.343 -9.239
51 HH2 TRP 6 HH2 TRP 6 -5.729 -1.306 -10.269
52 H TYR 7 HN TYR 7 -9.592 -5.456 -2.993
53 HA TYR 7 HA TYR 7 -11.926 -4.612 -4.197
54 HB2 TYR 7 HB2 TYR 7 -11.344 -6.243 -2.105
55 HB3 TYR 7 HB1 TYR 7 -12.053 -4.873 -1.258
56 HD1 TYR 7 HD1 TYR 7 -13.832 -4.326 -3.900
57 HD2 TYR 7 HD2 TYR 7 -13.254 -7.601 -1.249
58 HE1 TYR 7 HE1 TYR 7 -16.087 -5.151 -4.439
59 HE2 TYR 7 HE2 TYR 7 -15.504 -8.436 -1.780
60 HH TYR 7 HH TYR 7 -17.606 -7.649 -2.643
61 H THR 8 HN THR 8 -10.368 -3.185 -1.316
62 HA THR 8 HA THR 8 -12.160 -1.013 -1.123
63 HB THR 8 HB THR 8 -10.518 -1.922 0.643
64 HG1 THR 8 HG1 THR 8 -10.589 0.889 0.361
65 HG21 THR 8 HG21 THR 8 -8.428 -0.708 0.888
66 HG22 THR 8 HG22 THR 8 -8.682 0.060 -0.680
67 HG23 THR 8 HG23 THR 8 -8.433 -1.682 -0.580
68 H LEU 9 HN LEU 9 -9.011 -1.374 -2.673
69 HA LEU 9 HA LEU 9 -8.664 1.289 -3.479
70 HB2 LEU 9 HB2 LEU 9 -7.595 -1.345 -4.365
71 HB3 LEU 9 HB1 LEU 9 -7.350 0.035 -5.418
72 HG LEU 9 HG LEU 9 -5.478 -0.527 -3.785
73 HD11 LEU 9 HD11 LEU 9 -5.213 1.949 -3.170
74 HD12 LEU 9 HD12 LEU 9 -6.720 2.188 -4.054
75 HD13 LEU 9 HD13 LEU 9 -5.310 1.524 -4.879
76 HD21 LEU 9 HD21 LEU 9 -7.248 0.880 -1.800
77 HD22 LEU 9 HD22 LEU 9 -5.682 0.119 -1.521
78 HD23 LEU 9 HD23 LEU 9 -7.095 -0.876 -1.870
79 H ALA 10 HN ALA 10 -10.331 -1.414 -5.018
80 HA ALA 10 HA ALA 10 -10.836 -0.216 -7.502
81 HB1 ALA 10 HB1 ALA 10 -12.518 -2.251 -6.043
82 HB2 ALA 10 HB2 ALA 10 -11.131 -2.611 -7.071
83 HB3 ALA 10 HB3 ALA 10 -12.582 -1.892 -7.768
84 H MET 11 HN MET 11 -12.953 -0.460 -4.644
85 HA MET 11 HA MET 11 -14.993 1.189 -5.704
86 HB2 MET 11 HB2 MET 11 -14.537 -0.311 -3.327
87 HB3 MET 11 HB1 MET 11 -14.992 1.320 -2.852
88 HG2 MET 11 HG2 MET 11 -16.738 0.513 -4.930
89 HG3 MET 11 HG1 MET 11 -16.649 -0.798 -3.752
90 HE1 MET 11 HE1 MET 11 -18.336 1.824 -4.997
91 HE2 MET 11 HE2 MET 11 -19.072 2.814 -3.737
92 HE3 MET 11 HE3 MET 11 -19.670 1.183 -4.039
93 H CYS 12 HN CYS 12 -12.009 1.849 -4.076
94 HA CYS 12 HA CYS 12 -12.467 4.362 -3.001
95 HB2 CYS 12 HB2 CYS 12 -10.333 2.804 -3.037
96 HB3 CYS 12 HB1 CYS 12 -9.878 3.825 -4.396
97 H GLY 13 HN GLY 13 -12.016 6.485 -3.783
98 HA2 GLY 13 HA2 GLY 13 -12.366 6.723 -6.707
99 HA3 GLY 13 HA1 GLY 13 -13.078 7.833 -5.547
100 H ALA 14 HN ALA 14 -11.372 8.888 -4.055
101 HA ALA 14 HA ALA 14 -9.313 9.997 -5.811
102 HB1 ALA 14 HB1 ALA 14 -9.280 11.390 -3.393
103 HB2 ALA 14 HB2 ALA 14 -10.981 11.046 -3.710
104 HB3 ALA 14 HB3 ALA 14 -10.016 11.905 -4.912
105 H GLY 15 HN GLY 15 -7.276 10.744 -4.503
106 HA2 GLY 15 HA2 GLY 15 -6.244 8.323 -3.190
107 HA3 GLY 15 HA1 GLY 15 -5.268 9.558 -3.972
108 H TYR 16 HN TYR 16 -7.863 10.498 -1.874
109 HA TYR 16 HA TYR 16 -5.901 11.588 0.003
110 HB2 TYR 16 HB2 TYR 16 -8.738 12.242 -0.686
111 HB3 TYR 16 HB1 TYR 16 -8.119 12.694 0.899
112 HD1 TYR 16 HD2 TYR 16 -5.973 14.112 0.962
113 HD2 TYR 16 HD1 TYR 16 -8.338 13.605 -2.540
114 HE1 TYR 16 HE2 TYR 16 -4.964 16.135 -0.006
115 HE2 TYR 16 HE1 TYR 16 -7.334 15.626 -3.517
116 HH TYR 16 HH TYR 16 -6.110 17.882 -2.231
117 H ASP 17 HN ASP 17 -6.671 11.645 2.352
118 HA ASP 17 HA ASP 17 -6.845 9.007 3.309
119 HB2 ASP 17 HB2 ASP 17 -6.756 11.704 4.467
120 HB3 ASP 17 HB1 ASP 17 -7.644 10.538 5.444
121 H SER 18 HN SER 18 -8.718 8.239 2.105
122 HA SER 18 HA SER 18 -11.320 9.274 2.652
123 HB2 SER 18 HB2 SER 18 -10.762 8.034 0.575
124 HB3 SER 18 HB1 SER 18 -10.557 6.567 1.531
125 H GLY 19 HN GLY 19 -9.904 6.094 3.469
126 HA2 GLY 19 HA2 GLY 19 -10.516 6.177 6.195
127 HA3 GLY 19 HA1 GLY 19 -11.886 5.451 5.372
128 H THR 20 HN THR 20 -11.030 3.777 3.613
129 HA THR 20 HA THR 20 -9.375 1.892 5.133
130 HB THR 20 HB THR 20 -10.938 1.175 2.674
131 HG1 THR 20 HG1 THR 20 -12.759 0.939 3.877
132 HG21 THR 20 HG21 THR 20 -11.320 -0.880 4.247
133 HG22 THR 20 HG22 THR 20 -9.853 -0.283 5.023
134 HG23 THR 20 HG23 THR 20 -9.834 -0.714 3.313
135 H CYS 21 HN CYS 21 -9.645 3.452 1.988
136 HA CYS 21 HA CYS 21 -7.767 2.098 0.518
137 HB2 CYS 21 HB2 CYS 21 -8.003 5.107 0.509
138 HB3 CYS 21 HB1 CYS 21 -7.521 4.064 -0.824
139 H ASP 22 HN ASP 22 -7.141 4.843 2.704
140 HA ASP 22 HA ASP 22 -4.322 4.745 2.342
141 HB2 ASP 22 HB2 ASP 22 -6.224 6.263 4.012
142 HB3 ASP 22 HB1 ASP 22 -4.609 6.079 4.688
143 H TYR 23 HN TYR 23 -6.455 2.841 4.202
144 HA TYR 23 HA TYR 23 -4.353 2.086 6.094
145 HB2 TYR 23 HB2 TYR 23 -7.054 2.439 6.444
146 HB3 TYR 23 HB1 TYR 23 -6.928 0.690 6.290
147 HD1 TYR 23 HD2 TYR 23 -4.505 -0.032 7.619
148 HD2 TYR 23 HD1 TYR 23 -7.292 3.008 8.665
149 HE1 TYR 23 HE2 TYR 23 -3.789 -0.191 9.965
150 HE2 TYR 23 HE1 TYR 23 -6.583 2.856 11.015
151 HH TYR 23 HH TYR 23 -3.836 1.535 12.026
152 H MET 24 HN MET 24 -6.796 0.320 4.192
153 HA MET 24 HA MET 24 -5.597 -2.166 4.263
154 HB2 MET 24 HB2 MET 24 -7.696 -0.844 2.757
155 HB3 MET 24 HB1 MET 24 -6.839 -2.018 1.774
156 HG2 MET 24 HG2 MET 24 -7.813 -2.760 4.499
157 HG3 MET 24 HG1 MET 24 -8.916 -2.756 3.122
158 HE1 MET 24 HE1 MET 24 -7.729 -6.365 4.367
159 HE2 MET 24 HE2 MET 24 -8.129 -4.845 5.167
160 HE3 MET 24 HE3 MET 24 -6.445 -5.344 5.013
161 H TYR 25 HN TYR 25 -5.279 0.352 1.768
162 HA TYR 25 HA TYR 25 -3.592 -0.986 0.021
163 HB2 TYR 25 HB2 TYR 25 -4.730 1.290 -0.255
164 HB3 TYR 25 HB1 TYR 25 -3.358 1.958 0.611
165 HD1 TYR 25 HD1 TYR 25 -3.614 -0.645 -2.055
166 HD2 TYR 25 HD2 TYR 25 -2.025 3.121 -0.876
167 HE1 TYR 25 HE1 TYR 25 -2.352 -0.524 -4.162
168 HE2 TYR 25 HE2 TYR 25 -0.759 3.253 -2.981
169 HH TYR 25 HH TYR 25 -0.388 0.581 -5.071
170 H SER 26 HN SER 26 -2.498 1.523 2.293
171 HA SER 26 HA SER 26 0.195 1.170 2.121
172 HB2 SER 26 HB2 SER 26 -1.622 2.144 4.239
173 HB3 SER 26 HB1 SER 26 0.000 1.700 4.771
174 HG SER 26 HG SER 26 0.606 3.541 3.990
175 H HIS 27 HN HIS 27 -1.893 -0.507 4.477
176 HA HIS 27 HA HIS 27 0.114 -2.100 5.594
177 HB2 HIS 27 HB2 HIS 27 -2.477 -1.678 6.187
178 HB3 HIS 27 HB1 HIS 27 -2.607 -3.260 5.424
179 HD1 HIS 27 HD1 HIS 27 -0.929 -5.134 6.509
180 HD2 HIS 27 HD2 HIS 27 -1.774 -1.775 8.805
181 HE1 HIS 27 HE1 HIS 27 -0.322 -5.762 8.867
182 HE2 HIS 27 HE2 HIS 27 -0.878 -3.727 10.247
183 H CYS 28 HN CYS 28 -1.633 -2.418 2.625
184 HA CYS 28 HA CYS 28 -0.902 -5.200 2.271
185 HB2 CYS 28 HB2 CYS 28 -3.051 -4.002 1.423
186 HB3 CYS 28 HB1 CYS 28 -2.021 -3.451 0.107
187 H PHE 29 HN PHE 29 -0.276 -2.188 0.458
188 HA PHE 29 HA PHE 29 1.997 -3.425 -0.852
189 HB2 PHE 29 HB2 PHE 29 0.499 -0.861 -1.189
190 HB3 PHE 29 HB1 PHE 29 2.129 -0.993 -1.841
191 HD1 PHE 29 HD1 PHE 29 -0.479 -3.624 -1.666
192 HD2 PHE 29 HD2 PHE 29 1.766 -0.989 -4.141
193 HE1 PHE 29 HE1 PHE 29 -1.374 -4.746 -3.664
194 HE2 PHE 29 HE2 PHE 29 0.874 -2.106 -6.145
195 HZ PHE 29 HZ PHE 29 -0.699 -3.989 -5.905
196 H GLY 30 HN GLY 30 1.853 -0.114 0.312
197 HA2 GLY 30 HA2 GLY 30 3.073 0.587 2.318
198 HA3 GLY 30 HA1 GLY 30 4.262 -0.648 1.933
199 H ILE 31 HN ILE 31 2.859 1.376 -0.534
200 HA ILE 31 HA ILE 31 5.339 2.955 -0.653
201 HB ILE 31 HB ILE 31 3.929 1.869 -3.090
202 HG12 ILE 31 HG12 ILE 31 4.977 0.072 -1.711
203 HG13 ILE 31 HG11 ILE 31 5.716 0.256 -3.299
204 HG21 ILE 31 HG21 ILE 31 6.656 2.591 -3.500
205 HG22 ILE 31 HG22 ILE 31 5.820 3.933 -2.721
206 HG23 ILE 31 HG23 ILE 31 5.206 3.273 -4.237
207 HD11 ILE 31 HD11 ILE 31 6.982 0.242 -0.811
208 HD12 ILE 31 HD12 ILE 31 7.072 1.905 -1.391
209 HD13 ILE 31 HD13 ILE 31 7.698 0.590 -2.384
210 H LYS 32 HN LYS 32 4.347 4.772 0.200
211 HA LYS 32 HA LYS 32 2.018 5.847 -1.214
212 HB2 LYS 32 HB2 LYS 32 3.228 7.134 1.204
213 HB3 LYS 32 HB1 LYS 32 1.555 7.133 0.667
214 HG2 LYS 32 HG2 LYS 32 1.209 5.589 2.227
215 HG3 LYS 32 HG1 LYS 32 2.054 4.472 1.154
216 HD2 LYS 32 HD2 LYS 32 3.708 4.260 2.624
217 HD3 LYS 32 HD1 LYS 32 3.970 6.005 2.623
218 HE2 LYS 32 HE2 LYS 32 2.942 6.266 4.592
219 HE3 LYS 32 HE1 LYS 32 1.609 5.207 4.131
220 HZ1 LYS 32 HZ1 LYS 32 3.699 3.504 4.473
221 HZ2 LYS 32 HZ2 LYS 32 2.470 3.792 5.598
222 HZ3 LYS 32 HZ3 LYS 32 3.932 4.635 5.710
223 H HIS 33 HN HIS 33 4.778 5.832 -2.293
224 HA HIS 33 HA HIS 33 6.125 7.200 -3.512
225 HB2 HIS 33 HB2 HIS 33 3.571 8.660 -3.341
226 HB3 HIS 33 HB1 HIS 33 4.970 9.664 -3.711
227 HD1 HIS 33 HD1 HIS 33 4.279 10.090 -6.136
228 HD2 HIS 33 HD2 HIS 33 4.677 6.060 -5.205
229 HE1 HIS 33 HE1 HIS 33 4.211 8.881 -8.340
230 HE2 HIS 33 HE2 HIS 33 4.475 6.445 -7.755
231 H HIS 34 HN HIS 34 6.365 7.079 -0.607
232 HA HIS 34 HA HIS 34 6.998 9.686 0.370
233 HB2 HIS 34 HB2 HIS 34 7.800 8.574 2.341
234 HB3 HIS 34 HB1 HIS 34 6.346 7.735 1.810
235 HD1 HIS 34 HD1 HIS 34 8.121 6.215 -0.509
236 HD2 HIS 34 HD2 HIS 34 8.670 6.200 3.610
237 HE1 HIS 34 HE1 HIS 34 9.420 4.119 -0.011
238 HE2 HIS 34 HE2 HIS 34 9.684 4.098 2.495
239 H SER 35 HN SER 35 9.092 10.486 0.920
240 HA SER 35 HA SER 35 11.462 9.202 -0.046
241 HB2 SER 35 HB2 SER 35 10.162 11.360 -1.652
242 HB3 SER 35 HB1 SER 35 11.923 11.336 -1.549
243 HG SER 35 HG SER 35 11.578 10.023 -3.208
244 H SER 36 HN SER 36 13.401 10.424 0.442
245 HA SER 36 HA SER 36 12.970 12.208 2.722
246 HB2 SER 36 HB2 SER 36 15.436 10.719 1.795
247 HB3 SER 36 HB1 SER 36 15.380 11.775 3.206
248 HG SER 36 HG SER 36 14.955 9.316 3.338
249 H GLY 37 HN GLY 37 12.461 14.100 1.543
250 HA2 GLY 37 HA2 GLY 37 13.469 16.237 1.115
251 HA3 GLY 37 HA1 GLY 37 14.846 15.403 0.411
252 H SER 38 HN SER 38 11.538 16.428 -0.101
253 HA SER 38 HA SER 38 11.628 15.601 -2.896
254 HB2 SER 38 HB2 SER 38 9.458 16.689 -1.113
255 HB3 SER 38 HB1 SER 38 9.254 16.616 -2.864
256 HG SER 38 HG SER 38 8.541 14.682 -2.304
257 H SER 39 HN SER 39 10.829 17.210 -4.541
258 HA SER 39 HA SER 39 11.686 19.951 -3.923
259 HB2 SER 39 HB2 SER 39 12.485 18.456 -6.432
260 HB3 SER 39 HB1 SER 39 12.945 20.101 -5.994
261 HG SER 39 HG SER 39 14.394 19.349 -4.639
262 H SER 40 HN SER 40 10.521 18.143 -6.770
263 HA SER 40 HA SER 40 9.019 20.168 -7.894
264 HB2 SER 40 HB2 SER 40 7.772 18.386 -9.069
265 HB3 SER 40 HB1 SER 40 9.507 18.075 -9.068
266 HG SER 40 HG SER 40 7.868 16.332 -8.432
267 H TYR 41 HN TYR 41 8.269 18.112 -5.195
268 HA TYR 41 HA TYR 41 5.462 18.753 -5.160
269 HB2 TYR 41 HB2 TYR 41 6.487 16.609 -4.274
270 HB3 TYR 41 HB1 TYR 41 7.081 17.553 -2.912
271 HD1 TYR 41 HD2 TYR 41 3.801 17.756 -4.668
272 HD2 TYR 41 HD1 TYR 41 5.868 16.775 -1.081
273 HE1 TYR 41 HE2 TYR 41 1.650 17.442 -3.520
274 HE2 TYR 41 HE1 TYR 41 3.722 16.458 0.077
275 HH TYR 41 HH TYR 41 1.031 15.865 -1.167
276 H HIS 42 HN HIS 42 4.392 19.936 -3.493
277 HA HIS 42 HA HIS 42 5.950 21.624 -1.739
278 HB2 HIS 42 HB2 HIS 42 5.094 23.737 -2.614
279 HB3 HIS 42 HB1 HIS 42 6.002 22.885 -3.859
280 HD1 HIS 42 HD1 HIS 42 2.423 23.601 -2.849
281 HD2 HIS 42 HD2 HIS 42 4.621 22.422 -6.172
282 HE1 HIS 42 HE1 HIS 42 0.799 23.617 -4.769
283 HE2 HIS 42 HE2 HIS 42 2.157 22.925 -6.775
284 H CYS 43 HN CYS 43 4.832 22.190 0.051
285 HA CYS 43 HA CYS 43 2.435 20.907 0.687
286 HB2 CYS 43 HB2 CYS 43 4.333 22.395 2.062
287 HB3 CYS 43 HB1 CYS 43 2.861 23.348 2.221
288 H1 NAG 44 H1 NAG 44 -12.845 8.183 -0.490
289 H2 NAG 44 H2 NAG 44 -14.760 6.737 0.044
290 H3 NAG 44 H3 NAG 44 -16.418 7.992 1.772
291 H4 NAG 44 H4 NAG 44 -13.782 8.230 3.242
292 H5 NAG 44 H5 NAG 44 -15.080 10.395 1.523
293 H61 NAG 44 H61 NAG 44 -13.324 11.886 2.353
294 H62 NAG 44 H62 NAG 44 -12.717 10.612 3.433
295 H81 NAG 44 H81 NAG 44 -17.587 8.654 -2.962
296 H82 NAG 44 H82 NAG 44 -17.379 9.896 -1.696
297 H83 NAG 44 H83 NAG 44 -16.164 9.732 -2.994
298 HN2 NAG 44 HN2 NAG 44 -15.555 9.598 -0.175
299 HO3 NAG 44 HO3 NAG 44 -15.769 6.355 3.195
300 HO4 NAG 44 HO4 NAG 44 -16.105 8.330 4.083
301 HO6 NAG 44 HO6 NAG 44 -15.043 12.185 3.643
302 H1 NAG 45 H1 NAG 45 2.570 23.101 4.894
303 H2 NAG 45 H2 NAG 45 3.527 20.491 6.157
304 H3 NAG 45 H3 NAG 45 2.818 23.189 7.397
305 H4 NAG 45 H4 NAG 45 5.507 21.753 7.150
306 H5 NAG 45 H5 NAG 45 4.492 24.307 5.813
307 H61 NAG 45 H61 NAG 45 7.177 22.984 6.026
308 H62 NAG 45 H62 NAG 45 6.758 24.709 5.938
309 H81 NAG 45 H81 NAG 45 -1.113 20.920 5.874
310 H82 NAG 45 H82 NAG 45 -0.955 21.228 7.625
311 H83 NAG 45 H83 NAG 45 -1.479 22.539 6.532
312 HN2 NAG 45 HN2 NAG 45 1.251 20.170 6.457
313 HO3 NAG 45 HO3 NAG 45 4.050 20.949 8.645
314 HO4 NAG 45 HO4 NAG 45 5.523 22.993 8.978
315 HO6 NAG 45 HO6 NAG 45 6.499 24.538 3.741
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 -3.758 -16.960 -1.123
2 H2 LYS 1 HT2 LYS 1 -3.001 -17.496 -2.567
3 H3 LYS 1 HT3 LYS 1 -4.656 -17.043 -2.580
4 HA LYS 1 HA LYS 1 -2.592 -15.147 -1.761
5 HB2 LYS 1 HB2 LYS 1 -2.109 -16.307 -4.012
6 HB3 LYS 1 HB1 LYS 1 -3.537 -15.469 -4.604
7 HG2 LYS 1 HG2 LYS 1 -2.047 -13.894 -5.180
8 HG3 LYS 1 HG1 LYS 1 -2.210 -13.409 -3.491
9 HD2 LYS 1 HD2 LYS 1 -0.188 -15.469 -4.281
10 HD3 LYS 1 HD1 LYS 1 0.160 -13.753 -4.497
11 HE2 LYS 1 HE2 LYS 1 -0.612 -13.564 -2.020
12 HE3 LYS 1 HE1 LYS 1 -0.289 -15.296 -1.976
13 HZ1 LYS 1 HZ1 LYS 1 1.547 -13.422 -1.494
14 HZ2 LYS 1 HZ2 LYS 1 1.807 -13.675 -3.146
15 HZ3 LYS 1 HZ3 LYS 1 1.915 -14.971 -2.066
16 HA PRO 2 HA PRO 2 -6.840 -13.444 -1.385
17 HB2 PRO 2 HB2 PRO 2 -6.333 -11.910 0.776
18 HB3 PRO 2 HB1 PRO 2 -6.672 -13.640 0.907
19 HG2 PRO 2 HG2 PRO 2 -4.037 -12.218 0.953
20 HG3 PRO 2 HG1 PRO 2 -4.611 -13.546 1.980
21 HD2 PRO 2 HD2 PRO 2 -2.961 -13.920 -0.151
22 HD3 PRO 2 HD1 PRO 2 -4.122 -15.143 0.401
23 H ALA 3 HN ALA 3 -7.552 -11.619 -2.332
24 HA ALA 3 HA ALA 3 -5.638 -9.409 -2.707
25 HB1 ALA 3 HB1 ALA 3 -5.715 -10.255 -4.848
26 HB2 ALA 3 HB2 ALA 3 -7.012 -9.061 -4.903
27 HB3 ALA 3 HB3 ALA 3 -7.394 -10.771 -4.700
28 H TRP 4 HN TRP 4 -7.482 -9.576 -0.591
29 HA TRP 4 HA TRP 4 -9.908 -8.228 -1.112
30 HB2 TRP 4 HB2 TRP 4 -8.572 -9.327 1.148
31 HB3 TRP 4 HB1 TRP 4 -9.024 -7.674 1.546
32 HD1 TRP 4 HD1 TRP 4 -10.381 -11.067 1.602
33 HE1 TRP 4 HE1 TRP 4 -12.938 -11.040 1.895
34 HE3 TRP 4 HE3 TRP 4 -11.261 -6.130 0.607
35 HZ2 TRP 4 HZ2 TRP 4 -15.049 -9.172 1.728
36 HZ3 TRP 4 HZ3 TRP 4 -13.577 -5.304 0.695
37 HH2 TRP 4 HH2 TRP 4 -15.430 -6.794 1.244
38 H CYS 5 HN CYS 5 -6.679 -7.109 -0.263
39 HA CYS 5 HA CYS 5 -7.280 -4.445 0.326
40 HB2 CYS 5 HB2 CYS 5 -4.887 -4.010 -0.376
41 HB3 CYS 5 HB1 CYS 5 -5.111 -5.243 0.859
42 H TRP 6 HN TRP 6 -6.922 -6.090 -2.732
43 HA TRP 6 HA TRP 6 -6.683 -3.798 -4.372
44 HB2 TRP 6 HB2 TRP 6 -6.921 -6.645 -4.738
45 HB3 TRP 6 HB1 TRP 6 -7.986 -5.806 -5.861
46 HD1 TRP 6 HD1 TRP 6 -4.629 -7.097 -5.755
47 HE1 TRP 6 HE1 TRP 6 -3.090 -5.925 -7.453
48 HE3 TRP 6 HE3 TRP 6 -7.534 -3.022 -6.811
49 HZ2 TRP 6 HZ2 TRP 6 -3.105 -3.586 -9.031
50 HZ3 TRP 6 HZ3 TRP 6 -6.698 -1.366 -8.426
51 HH2 TRP 6 HH2 TRP 6 -4.529 -1.641 -9.511
52 H TYR 7 HN TYR 7 -9.414 -5.519 -3.020
53 HA TYR 7 HA TYR 7 -11.413 -4.269 -4.609
54 HB2 TYR 7 HB2 TYR 7 -11.511 -5.698 -1.951
55 HB3 TYR 7 HB1 TYR 7 -12.946 -5.052 -2.734
56 HD1 TYR 7 HD1 TYR 7 -10.992 -6.039 -5.390
57 HD2 TYR 7 HD2 TYR 7 -13.232 -7.730 -2.190
58 HE1 TYR 7 HE1 TYR 7 -11.230 -8.127 -6.667
59 HE2 TYR 7 HE2 TYR 7 -13.473 -9.822 -3.459
60 HH TYR 7 HH TYR 7 -11.848 -10.906 -5.551
61 H THR 8 HN THR 8 -9.996 -3.583 -1.449
62 HA THR 8 HA THR 8 -11.691 -1.497 -0.672
63 HB THR 8 HB THR 8 -8.795 -2.075 -0.034
64 HG1 THR 8 HG1 THR 8 -10.020 -3.561 0.935
65 HG21 THR 8 HG21 THR 8 -10.191 0.343 0.522
66 HG22 THR 8 HG22 THR 8 -8.565 -0.141 1.005
67 HG23 THR 8 HG23 THR 8 -9.947 -0.542 2.028
68 H LEU 9 HN LEU 9 -8.726 -1.478 -2.601
69 HA LEU 9 HA LEU 9 -8.801 1.394 -2.920
70 HB2 LEU 9 HB2 LEU 9 -7.021 -0.792 -3.947
71 HB3 LEU 9 HB1 LEU 9 -6.903 0.838 -4.580
72 HG LEU 9 HG LEU 9 -5.280 0.203 -2.728
73 HD11 LEU 9 HD11 LEU 9 -6.301 2.577 -3.459
74 HD12 LEU 9 HD12 LEU 9 -5.077 2.386 -2.204
75 HD13 LEU 9 HD13 LEU 9 -6.777 2.551 -1.761
76 HD21 LEU 9 HD21 LEU 9 -7.596 0.730 -0.894
77 HD22 LEU 9 HD22 LEU 9 -6.001 0.083 -0.509
78 HD23 LEU 9 HD23 LEU 9 -7.165 -0.907 -1.390
79 H ALA 10 HN ALA 10 -9.293 -1.442 -5.004
80 HA ALA 10 HA ALA 10 -9.717 -0.215 -7.426
81 HB1 ALA 10 HB1 ALA 10 -11.004 -2.657 -6.237
82 HB2 ALA 10 HB2 ALA 10 -9.653 -2.571 -7.368
83 HB3 ALA 10 HB3 ALA 10 -11.280 -2.148 -7.903
84 H MET 11 HN MET 11 -11.764 -0.198 -4.628
85 HA MET 11 HA MET 11 -14.097 0.726 -6.068
86 HB2 MET 11 HB2 MET 11 -13.564 0.547 -3.096
87 HB3 MET 11 HB1 MET 11 -15.119 0.911 -3.833
88 HG2 MET 11 HG2 MET 11 -13.924 -1.555 -4.824
89 HG3 MET 11 HG1 MET 11 -14.242 -1.570 -3.087
90 HE1 MET 11 HE1 MET 11 -17.342 -0.801 -2.340
91 HE2 MET 11 HE2 MET 11 -16.029 -1.939 -2.036
92 HE3 MET 11 HE3 MET 11 -17.563 -2.516 -2.687
93 H CYS 12 HN CYS 12 -11.791 2.097 -3.734
94 HA CYS 12 HA CYS 12 -12.810 4.642 -3.490
95 HB2 CYS 12 HB2 CYS 12 -10.485 3.349 -2.712
96 HB3 CYS 12 HB1 CYS 12 -9.902 4.655 -3.735
97 H GLY 13 HN GLY 13 -10.492 3.484 -5.934
98 HA2 GLY 13 HA2 GLY 13 -10.727 4.173 -8.236
99 HA3 GLY 13 HA1 GLY 13 -11.375 5.702 -7.663
100 H ALA 14 HN ALA 14 -8.655 4.461 -5.970
101 HA ALA 14 HA ALA 14 -6.460 5.067 -5.872
102 HB1 ALA 14 HB1 ALA 14 -6.251 6.432 -8.433
103 HB2 ALA 14 HB2 ALA 14 -6.958 4.821 -8.569
104 HB3 ALA 14 HB3 ALA 14 -5.375 5.028 -7.821
105 H GLY 15 HN GLY 15 -5.169 6.891 -5.387
106 HA2 GLY 15 HA2 GLY 15 -4.795 9.036 -4.662
107 HA3 GLY 15 HA1 GLY 15 -5.847 9.553 -5.970
108 H TYR 16 HN TYR 16 -6.039 8.066 -2.738
109 HA TYR 16 HA TYR 16 -7.883 10.070 -1.844
110 HB2 TYR 16 HB2 TYR 16 -8.916 7.603 -2.952
111 HB3 TYR 16 HB1 TYR 16 -9.366 7.768 -1.259
112 HD1 TYR 16 HD2 TYR 16 -10.700 9.726 -0.520
113 HD2 TYR 16 HD1 TYR 16 -9.881 8.999 -4.632
114 HE1 TYR 16 HE2 TYR 16 -12.507 11.270 -1.148
115 HE2 TYR 16 HE1 TYR 16 -11.686 10.541 -5.271
116 HH TYR 16 HH TYR 16 -13.848 11.405 -4.161
117 H ASP 17 HN ASP 17 -8.551 9.701 0.431
118 HA ASP 17 HA ASP 17 -7.188 7.689 1.956
119 HB2 ASP 17 HB2 ASP 17 -5.845 9.280 3.311
120 HB3 ASP 17 HB1 ASP 17 -5.313 9.191 1.635
121 H SER 18 HN SER 18 -9.805 7.995 1.873
122 HA SER 18 HA SER 18 -10.828 9.831 3.819
123 HB2 SER 18 HB2 SER 18 -11.917 8.176 1.812
124 HB3 SER 18 HB1 SER 18 -12.610 7.618 3.334
125 H GLY 19 HN GLY 19 -9.821 6.466 3.819
126 HA2 GLY 19 HA2 GLY 19 -9.326 6.379 6.567
127 HA3 GLY 19 HA1 GLY 19 -10.940 5.735 6.307
128 H THR 20 HN THR 20 -11.178 3.843 4.985
129 HA THR 20 HA THR 20 -9.214 1.882 5.512
130 HB THR 20 HB THR 20 -11.255 1.439 3.385
131 HG1 THR 20 HG1 THR 20 -12.721 2.266 4.640
132 HG21 THR 20 HG21 THR 20 -11.468 -0.431 5.454
133 HG22 THR 20 HG22 THR 20 -9.742 -0.175 5.193
134 HG23 THR 20 HG23 THR 20 -10.775 -0.663 3.849
135 H CYS 21 HN CYS 21 -10.110 3.632 2.567
136 HA CYS 21 HA CYS 21 -8.683 2.331 0.649
137 HB2 CYS 21 HB2 CYS 21 -8.918 5.326 0.987
138 HB3 CYS 21 HB1 CYS 21 -8.438 4.511 -0.498
139 H ASP 22 HN ASP 22 -7.372 4.898 2.750
140 HA ASP 22 HA ASP 22 -4.724 4.641 1.749
141 HB2 ASP 22 HB2 ASP 22 -5.906 6.599 3.070
142 HB3 ASP 22 HB1 ASP 22 -5.252 5.755 4.471
143 H TYR 23 HN TYR 23 -6.366 3.387 4.631
144 HA TYR 23 HA TYR 23 -4.046 2.194 5.749
145 HB2 TYR 23 HB2 TYR 23 -6.559 2.694 6.674
146 HB3 TYR 23 HB1 TYR 23 -6.636 0.954 6.413
147 HD1 TYR 23 HD1 TYR 23 -5.027 3.640 8.329
148 HD2 TYR 23 HD2 TYR 23 -5.323 -0.566 7.758
149 HE1 TYR 23 HE1 TYR 23 -3.854 3.275 10.458
150 HE2 TYR 23 HE2 TYR 23 -4.153 -0.943 9.888
151 HH TYR 23 HH TYR 23 -2.531 1.540 11.558
152 H MET 24 HN MET 24 -6.914 0.543 4.394
153 HA MET 24 HA MET 24 -5.878 -1.982 4.200
154 HB2 MET 24 HB2 MET 24 -8.096 -0.522 3.071
155 HB3 MET 24 HB1 MET 24 -7.442 -1.647 1.894
156 HG2 MET 24 HG2 MET 24 -7.985 -2.592 4.665
157 HG3 MET 24 HG1 MET 24 -9.324 -2.390 3.533
158 HE1 MET 24 HE1 MET 24 -6.841 -5.247 4.750
159 HE2 MET 24 HE2 MET 24 -8.190 -6.196 4.124
160 HE3 MET 24 HE3 MET 24 -8.499 -4.775 5.124
161 H TYR 25 HN TYR 25 -5.303 0.761 2.118
162 HA TYR 25 HA TYR 25 -4.155 -0.591 -0.071
163 HB2 TYR 25 HB2 TYR 25 -4.787 1.671 -0.390
164 HB3 TYR 25 HB1 TYR 25 -3.866 2.213 1.000
165 HD1 TYR 25 HD1 TYR 25 -3.433 0.688 -2.376
166 HD2 TYR 25 HD2 TYR 25 -1.735 3.098 0.690
167 HE1 TYR 25 HE1 TYR 25 -1.544 1.226 -3.856
168 HE2 TYR 25 HE2 TYR 25 0.159 3.645 -0.781
169 HH TYR 25 HH TYR 25 0.521 3.722 -3.365
170 H SER 26 HN SER 26 -2.225 1.570 1.933
171 HA SER 26 HA SER 26 0.218 0.396 1.485
172 HB2 SER 26 HB2 SER 26 -0.596 2.532 2.942
173 HB3 SER 26 HB1 SER 26 -0.169 1.422 4.244
174 HG SER 26 HG SER 26 1.777 2.125 3.853
175 H HIS 27 HN HIS 27 -2.208 -0.533 3.893
176 HA HIS 27 HA HIS 27 -0.723 -2.290 5.445
177 HB2 HIS 27 HB2 HIS 27 -3.175 -1.647 5.737
178 HB3 HIS 27 HB1 HIS 27 -3.542 -2.867 4.521
179 HD1 HIS 27 HD1 HIS 27 -1.878 -5.209 5.372
180 HD2 HIS 27 HD2 HIS 27 -3.865 -2.777 8.092
181 HE1 HIS 27 HE1 HIS 27 -2.160 -6.607 7.443
182 HE2 HIS 27 HE2 HIS 27 -3.437 -5.142 9.046
183 H CYS 28 HN CYS 28 -1.961 -2.583 2.228
184 HA CYS 28 HA CYS 28 -0.989 -5.336 1.973
185 HB2 CYS 28 HB2 CYS 28 -3.326 -4.547 1.188
186 HB3 CYS 28 HB1 CYS 28 -2.466 -3.775 -0.136
187 H PHE 29 HN PHE 29 -0.408 -2.052 1.081
188 HA PHE 29 HA PHE 29 1.421 -1.027 0.233
189 HB2 PHE 29 HB2 PHE 29 2.772 -2.855 1.203
190 HB3 PHE 29 HB1 PHE 29 2.559 -3.780 -0.282
191 HD1 PHE 29 HD2 PHE 29 3.488 -0.259 0.544
192 HD2 PHE 29 HD1 PHE 29 4.432 -3.819 -1.588
193 HE1 PHE 29 HE2 PHE 29 5.462 0.848 -0.421
194 HE2 PHE 29 HE1 PHE 29 6.409 -2.718 -2.557
195 HZ PHE 29 HZ PHE 29 6.924 -0.385 -1.980
196 H GLY 30 HN GLY 30 1.234 0.008 -1.590
197 HA2 GLY 30 HA2 GLY 30 -0.257 -0.837 -3.754
198 HA3 GLY 30 HA1 GLY 30 0.923 0.461 -3.813
199 H ILE 31 HN ILE 31 0.658 -0.861 -6.075
200 HA ILE 31 HA ILE 31 3.178 -2.317 -6.286
201 HB ILE 31 HB ILE 31 1.943 -3.940 -7.897
202 HG12 ILE 31 HG12 ILE 31 -0.372 -3.799 -6.081
203 HG13 ILE 31 HG11 ILE 31 -0.233 -2.441 -7.194
204 HG21 ILE 31 HG21 ILE 31 2.362 -3.992 -5.010
205 HG22 ILE 31 HG22 ILE 31 2.781 -5.184 -6.241
206 HG23 ILE 31 HG23 ILE 31 1.150 -5.146 -5.569
207 HD11 ILE 31 HD11 ILE 31 -1.537 -4.662 -7.806
208 HD12 ILE 31 HD12 ILE 31 0.075 -5.156 -8.325
209 HD13 ILE 31 HD13 ILE 31 -0.669 -3.713 -9.013
210 H LYS 32 HN LYS 32 3.292 0.057 -7.147
211 HA LYS 32 HA LYS 32 2.594 0.044 -10.009
212 HB2 LYS 32 HB2 LYS 32 2.390 2.093 -7.937
213 HB3 LYS 32 HB1 LYS 32 3.222 2.663 -9.375
214 HG2 LYS 32 HG2 LYS 32 0.918 1.221 -10.198
215 HG3 LYS 32 HG1 LYS 32 0.446 2.371 -8.945
216 HD2 LYS 32 HD2 LYS 32 1.161 4.205 -10.185
217 HD3 LYS 32 HD1 LYS 32 2.214 3.224 -11.207
218 HE2 LYS 32 HE2 LYS 32 -0.140 2.115 -11.825
219 HE3 LYS 32 HE1 LYS 32 -0.695 3.734 -11.402
220 HZ1 LYS 32 HZ1 LYS 32 1.297 3.007 -13.477
221 HZ2 LYS 32 HZ2 LYS 32 0.997 4.597 -12.985
222 HZ3 LYS 32 HZ3 LYS 32 -0.231 3.694 -13.717
223 H HIS 33 HN HIS 33 4.877 -1.296 -9.146
224 HA HIS 33 HA HIS 33 7.069 -1.531 -9.714
225 HB2 HIS 33 HB2 HIS 33 6.196 -0.412 -11.855
226 HB3 HIS 33 HB1 HIS 33 6.900 1.072 -11.221
227 HD1 HIS 33 HD1 HIS 33 7.919 -0.199 -13.844
228 HD2 HIS 33 HD2 HIS 33 9.601 -0.867 -10.103
229 HE1 HIS 33 HE1 HIS 33 10.289 -0.913 -14.290
230 HE2 HIS 33 HE2 HIS 33 11.309 -1.240 -12.010
231 H HIS 34 HN HIS 34 8.021 -1.284 -7.744
232 HA HIS 34 HA HIS 34 9.026 1.411 -7.116
233 HB2 HIS 34 HB2 HIS 34 7.144 0.408 -5.605
234 HB3 HIS 34 HB1 HIS 34 8.445 -0.578 -4.948
235 HD1 HIS 34 HD1 HIS 34 10.666 1.109 -4.321
236 HD2 HIS 34 HD2 HIS 34 6.804 2.628 -4.123
237 HE1 HIS 34 HE1 HIS 34 10.812 3.124 -2.824
238 HE2 HIS 34 HE2 HIS 34 8.483 4.084 -2.800
239 H SER 35 HN SER 35 11.125 1.325 -7.620
240 HA SER 35 HA SER 35 12.781 -0.661 -6.276
241 HB2 SER 35 HB2 SER 35 12.221 -1.550 -8.574
242 HB3 SER 35 HB1 SER 35 13.090 -0.170 -9.244
243 HG SER 35 HG SER 35 14.145 -2.417 -8.620
244 H SER 36 HN SER 36 13.446 1.128 -5.017
245 HA SER 36 HA SER 36 14.756 2.901 -4.447
246 HB2 SER 36 HB2 SER 36 16.491 2.588 -6.838
247 HB3 SER 36 HB1 SER 36 16.930 2.724 -5.135
248 HG SER 36 HG SER 36 16.372 0.483 -6.651
249 H GLY 37 HN GLY 37 12.686 4.033 -5.316
250 HA2 GLY 37 HA2 GLY 37 13.579 6.017 -7.312
251 HA3 GLY 37 HA1 GLY 37 11.960 5.336 -7.368
252 H SER 38 HN SER 38 10.882 5.482 -5.034
253 HA SER 38 HA SER 38 10.441 8.229 -4.574
254 HB2 SER 38 HB2 SER 38 8.956 6.096 -4.068
255 HB3 SER 38 HB1 SER 38 9.728 6.213 -2.486
256 HG SER 38 HG SER 38 8.204 7.623 -2.131
257 H SER 39 HN SER 39 10.845 9.473 -2.676
258 HA SER 39 HA SER 39 12.780 8.516 -0.753
259 HB2 SER 39 HB2 SER 39 13.507 10.350 -2.969
260 HB3 SER 39 HB1 SER 39 14.110 10.777 -1.368
261 HG SER 39 HG SER 39 15.487 9.204 -1.506
262 H SER 40 HN SER 40 11.540 11.616 -2.021
263 HA SER 40 HA SER 40 9.835 12.160 0.121
264 HB2 SER 40 HB2 SER 40 12.601 12.601 0.739
265 HB3 SER 40 HB1 SER 40 11.764 14.153 0.705
266 HG SER 40 HG SER 40 10.220 13.231 2.151
267 H TYR 41 HN TYR 41 12.165 13.712 -2.069
268 HA TYR 41 HA TYR 41 10.594 16.051 -2.464
269 HB2 TYR 41 HB2 TYR 41 12.744 14.947 -4.280
270 HB3 TYR 41 HB1 TYR 41 12.171 16.610 -4.208
271 HD1 TYR 41 HD2 TYR 41 12.387 17.720 -1.800
272 HD2 TYR 41 HD1 TYR 41 14.705 14.431 -3.182
273 HE1 TYR 41 HE2 TYR 41 14.120 18.252 -0.139
274 HE2 TYR 41 HE1 TYR 41 16.445 14.953 -1.524
275 HH TYR 41 HH TYR 41 15.967 16.944 1.075
276 H HIS 42 HN HIS 42 8.975 16.446 -3.840
277 HA HIS 42 HA HIS 42 7.265 16.029 -5.288
278 HB2 HIS 42 HB2 HIS 42 9.746 15.253 -6.732
279 HB3 HIS 42 HB1 HIS 42 8.212 14.798 -7.466
280 HD1 HIS 42 HD1 HIS 42 8.586 16.469 -9.413
281 HD2 HIS 42 HD2 HIS 42 8.414 18.233 -5.655
282 HE1 HIS 42 HE1 HIS 42 8.330 18.934 -9.839
283 HE2 HIS 42 HE2 HIS 42 8.161 19.974 -7.551
284 H CYS 43 HN CYS 43 6.400 14.505 -3.683
285 HA CYS 43 HA CYS 43 5.389 12.546 -3.122
286 HB2 CYS 43 HB2 CYS 43 4.493 12.746 -5.421
287 HB3 CYS 43 HB1 CYS 43 5.872 11.833 -6.022
288 H1 NAG 44 H1 NAG 44 -14.472 8.716 4.141
289 H2 NAG 44 H2 NAG 44 -14.475 11.417 3.487
290 H3 NAG 44 H3 NAG 44 -16.579 11.859 2.332
291 H4 NAG 44 H4 NAG 44 -17.596 9.838 1.050
292 H5 NAG 44 H5 NAG 44 -16.809 8.108 3.344
293 H61 NAG 44 H61 NAG 44 -16.289 6.870 0.864
294 H62 NAG 44 H62 NAG 44 -17.732 7.872 0.583
295 H81 NAG 44 H81 NAG 44 -16.867 10.196 7.046
296 H82 NAG 44 H82 NAG 44 -16.176 11.706 7.701
297 H83 NAG 44 H83 NAG 44 -17.632 11.765 6.672
298 HN2 NAG 44 HN2 NAG 44 -16.701 9.847 4.694
299 HO3 NAG 44 HO3 NAG 44 -15.857 11.200 0.281
300 HO4 NAG 44 HO4 NAG 44 -18.642 9.221 3.244
301 HO6 NAG 44 HO6 NAG 44 -18.854 6.544 1.807
302 H1 NAG 45 H1 NAG 45 1.948 10.154 -4.679
303 H2 NAG 45 H2 NAG 45 3.117 12.303 -2.855
304 H3 NAG 45 H3 NAG 45 0.301 11.136 -3.030
305 H4 NAG 45 H4 NAG 45 1.350 13.928 -3.706
306 H5 NAG 45 H5 NAG 45 0.246 11.722 -5.509
307 H61 NAG 45 H61 NAG 45 0.045 14.416 -5.946
308 H62 NAG 45 H62 NAG 45 0.174 13.185 -7.221
309 H81 NAG 45 H81 NAG 45 4.097 9.715 0.752
310 H82 NAG 45 H82 NAG 45 2.926 8.744 -0.186
311 H83 NAG 45 H83 NAG 45 4.661 8.706 -0.610
312 HN2 NAG 45 HN2 NAG 45 2.137 9.580 -2.145
313 HO3 NAG 45 HO3 NAG 45 -0.066 12.345 -1.274
314 HO4 NAG 45 HO4 NAG 45 -0.717 14.232 -3.152
315 HO6 NAG 45 HO6 NAG 45 1.791 15.134 -6.997
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 -8.790 -18.331 -3.903
2 H2 LYS 1 HT2 LYS 1 -7.425 -19.178 -3.299
3 H3 LYS 1 HT3 LYS 1 -7.220 -17.933 -4.463
4 HA LYS 1 HA LYS 1 -8.335 -17.529 -1.776
5 HB2 LYS 1 HB2 LYS 1 -6.053 -18.316 -1.593
6 HB3 LYS 1 HB1 LYS 1 -5.526 -17.194 -2.841
7 HG2 LYS 1 HG2 LYS 1 -6.683 -15.536 -0.983
8 HG3 LYS 1 HG1 LYS 1 -5.912 -16.775 0.011
9 HD2 LYS 1 HD2 LYS 1 -4.291 -15.756 -2.227
10 HD3 LYS 1 HD1 LYS 1 -4.640 -14.589 -0.950
11 HE2 LYS 1 HE2 LYS 1 -3.784 -16.195 0.713
12 HE3 LYS 1 HE1 LYS 1 -3.380 -17.306 -0.594
13 HZ1 LYS 1 HZ1 LYS 1 -1.510 -16.208 -1.002
14 HZ2 LYS 1 HZ2 LYS 1 -1.764 -15.354 0.436
15 HZ3 LYS 1 HZ3 LYS 1 -2.291 -14.707 -1.035
16 HA PRO 2 HA PRO 2 -9.427 -13.714 -3.874
17 HB2 PRO 2 HB2 PRO 2 -10.686 -12.513 -1.823
18 HB3 PRO 2 HB1 PRO 2 -11.407 -13.873 -2.696
19 HG2 PRO 2 HG2 PRO 2 -9.979 -13.853 -0.065
20 HG3 PRO 2 HG1 PRO 2 -11.460 -14.710 -0.528
21 HD2 PRO 2 HD2 PRO 2 -8.996 -15.891 -0.434
22 HD3 PRO 2 HD1 PRO 2 -10.303 -16.431 -1.507
23 H ALA 3 HN ALA 3 -9.493 -11.262 -2.838
24 HA ALA 3 HA ALA 3 -7.171 -10.676 -1.233
25 HB1 ALA 3 HB1 ALA 3 -6.604 -9.068 -3.404
26 HB2 ALA 3 HB2 ALA 3 -7.015 -10.620 -4.134
27 HB3 ALA 3 HB3 ALA 3 -5.730 -10.524 -2.930
28 H TRP 4 HN TRP 4 -8.453 -9.502 0.131
29 HA TRP 4 HA TRP 4 -10.443 -7.677 -0.668
30 HB2 TRP 4 HB2 TRP 4 -9.415 -8.679 1.761
31 HB3 TRP 4 HB1 TRP 4 -9.304 -6.927 1.862
32 HD1 TRP 4 HD1 TRP 4 -11.863 -9.747 1.556
33 HE1 TRP 4 HE1 TRP 4 -14.184 -8.826 2.185
34 HE3 TRP 4 HE3 TRP 4 -10.686 -4.790 1.949
35 HZ2 TRP 4 HZ2 TRP 4 -15.358 -6.327 2.769
36 HZ3 TRP 4 HZ3 TRP 4 -12.465 -3.199 2.547
37 HH2 TRP 4 HH2 TRP 4 -14.752 -3.953 2.947
38 H CYS 5 HN CYS 5 -7.045 -7.410 -0.756
39 HA CYS 5 HA CYS 5 -6.560 -4.749 -0.193
40 HB2 CYS 5 HB2 CYS 5 -5.302 -6.492 -2.319
41 HB3 CYS 5 HB1 CYS 5 -4.659 -4.938 -1.799
42 H TRP 6 HN TRP 6 -6.653 -5.857 -3.568
43 HA TRP 6 HA TRP 6 -7.068 -3.458 -4.771
44 HB2 TRP 6 HB2 TRP 6 -8.039 -4.658 -6.665
45 HB3 TRP 6 HB1 TRP 6 -6.635 -5.504 -6.018
46 HD1 TRP 6 HD1 TRP 6 -6.992 -7.878 -5.058
47 HE1 TRP 6 HE1 TRP 6 -8.999 -9.503 -5.004
48 HE3 TRP 6 HE3 TRP 6 -10.655 -4.628 -6.432
49 HZ2 TRP 6 HZ2 TRP 6 -11.791 -9.391 -5.481
50 HZ3 TRP 6 HZ3 TRP 6 -12.972 -5.447 -6.612
51 HH2 TRP 6 HH2 TRP 6 -13.527 -7.780 -6.144
52 H TYR 7 HN TYR 7 -9.574 -5.618 -3.505
53 HA TYR 7 HA TYR 7 -11.867 -4.405 -4.356
54 HB2 TYR 7 HB2 TYR 7 -11.750 -6.450 -2.935
55 HB3 TYR 7 HB1 TYR 7 -11.414 -5.424 -1.544
56 HD1 TYR 7 HD1 TYR 7 -13.809 -4.650 -4.256
57 HD2 TYR 7 HD2 TYR 7 -13.318 -5.925 -0.227
58 HE1 TYR 7 HE1 TYR 7 -16.224 -4.378 -3.882
59 HE2 TYR 7 HE2 TYR 7 -15.732 -5.657 0.158
60 HH TYR 7 HH TYR 7 -17.890 -5.714 -1.579
61 H THR 8 HN THR 8 -10.001 -3.514 -1.463
62 HA THR 8 HA THR 8 -11.601 -1.383 -0.626
63 HB THR 8 HB THR 8 -8.658 -1.964 -0.286
64 HG1 THR 8 HG1 THR 8 -9.804 -3.322 0.940
65 HG21 THR 8 HG21 THR 8 -8.298 0.102 0.428
66 HG22 THR 8 HG22 THR 8 -9.376 -0.266 1.775
67 HG23 THR 8 HG23 THR 8 -10.012 0.512 0.327
68 H LEU 9 HN LEU 9 -9.010 -1.548 -3.001
69 HA LEU 9 HA LEU 9 -8.892 1.288 -3.408
70 HB2 LEU 9 HB2 LEU 9 -7.766 -1.063 -4.908
71 HB3 LEU 9 HB1 LEU 9 -7.558 0.586 -5.462
72 HG LEU 9 HG LEU 9 -6.250 1.166 -3.563
73 HD11 LEU 9 HD11 LEU 9 -7.028 -1.517 -2.434
74 HD12 LEU 9 HD12 LEU 9 -7.523 0.066 -1.834
75 HD13 LEU 9 HD13 LEU 9 -5.833 -0.431 -1.725
76 HD21 LEU 9 HD21 LEU 9 -4.661 -1.024 -3.580
77 HD22 LEU 9 HD22 LEU 9 -4.662 0.212 -4.838
78 HD23 LEU 9 HD23 LEU 9 -5.587 -1.275 -5.061
79 H ALA 10 HN ALA 10 -10.297 -1.425 -5.222
80 HA ALA 10 HA ALA 10 -11.175 -0.181 -7.484
81 HB1 ALA 10 HB1 ALA 10 -12.942 -2.113 -6.022
82 HB2 ALA 10 HB2 ALA 10 -11.430 -2.621 -6.774
83 HB3 ALA 10 HB3 ALA 10 -12.713 -1.920 -7.760
84 H MET 11 HN MET 11 -13.107 -0.493 -4.495
85 HA MET 11 HA MET 11 -15.078 1.366 -5.442
86 HB2 MET 11 HB2 MET 11 -14.724 -0.394 -3.127
87 HB3 MET 11 HB1 MET 11 -15.521 1.126 -2.740
88 HG2 MET 11 HG2 MET 11 -17.085 0.635 -4.673
89 HG3 MET 11 HG1 MET 11 -16.400 -0.991 -4.679
90 HE1 MET 11 HE1 MET 11 -19.943 0.198 -3.235
91 HE2 MET 11 HE2 MET 11 -19.796 -1.529 -3.562
92 HE3 MET 11 HE3 MET 11 -19.123 -0.356 -4.695
93 H CYS 12 HN CYS 12 -12.048 1.701 -3.934
94 HA CYS 12 HA CYS 12 -12.294 3.798 -2.192
95 HB2 CYS 12 HB2 CYS 12 -10.177 2.601 -2.757
96 HB3 CYS 12 HB1 CYS 12 -10.100 3.525 -4.252
97 H GLY 13 HN GLY 13 -12.101 6.065 -2.369
98 HA2 GLY 13 HA2 GLY 13 -12.891 7.148 -5.003
99 HA3 GLY 13 HA1 GLY 13 -13.614 7.709 -3.501
100 H ALA 14 HN ALA 14 -10.487 7.391 -5.141
101 HA ALA 14 HA ALA 14 -8.760 8.876 -5.357
102 HB1 ALA 14 HB1 ALA 14 -9.938 10.945 -3.600
103 HB2 ALA 14 HB2 ALA 14 -10.812 10.572 -5.085
104 HB3 ALA 14 HB3 ALA 14 -9.132 11.104 -5.161
105 H GLY 15 HN GLY 15 -7.961 7.083 -3.905
106 HA2 GLY 15 HA2 GLY 15 -7.772 7.084 -1.193
107 HA3 GLY 15 HA1 GLY 15 -6.463 6.556 -2.237
108 H TYR 16 HN TYR 16 -7.102 8.439 0.302
109 HA TYR 16 HA TYR 16 -4.660 9.687 0.454
110 HB2 TYR 16 HB2 TYR 16 -6.204 10.992 -1.476
111 HB3 TYR 16 HB1 TYR 16 -6.314 12.012 -0.045
112 HD1 TYR 16 HD2 TYR 16 -3.720 11.814 1.189
113 HD2 TYR 16 HD1 TYR 16 -4.705 11.969 -2.947
114 HE1 TYR 16 HE2 TYR 16 -1.500 12.751 0.702
115 HE2 TYR 16 HE1 TYR 16 -2.486 12.907 -3.446
116 HH TYR 16 HH TYR 16 -0.713 14.186 -2.235
117 H ASP 17 HN ASP 17 -5.057 8.968 2.565
118 HA ASP 17 HA ASP 17 -5.793 9.057 4.724
119 HB2 ASP 17 HB2 ASP 17 -6.136 12.013 4.241
120 HB3 ASP 17 HB1 ASP 17 -5.672 11.201 5.732
121 H SER 18 HN SER 18 -7.824 8.213 3.164
122 HA SER 18 HA SER 18 -10.175 9.808 3.877
123 HB2 SER 18 HB2 SER 18 -9.742 8.870 1.506
124 HB3 SER 18 HB1 SER 18 -10.228 7.318 2.187
125 H GLY 19 HN GLY 19 -9.541 6.296 3.698
126 HA2 GLY 19 HA2 GLY 19 -10.155 5.901 6.467
127 HA3 GLY 19 HA1 GLY 19 -11.497 5.453 5.428
128 H THR 20 HN THR 20 -11.270 3.684 4.004
129 HA THR 20 HA THR 20 -9.588 1.608 5.021
130 HB THR 20 HB THR 20 -10.975 1.251 2.425
131 HG1 THR 20 HG1 THR 20 -12.338 1.772 4.851
132 HG21 THR 20 HG21 THR 20 -11.906 -0.569 4.315
133 HG22 THR 20 HG22 THR 20 -10.185 -0.381 4.650
134 HG23 THR 20 HG23 THR 20 -10.724 -0.858 3.040
135 H CYS 21 HN CYS 21 -9.645 3.578 2.090
136 HA CYS 21 HA CYS 21 -7.774 2.281 0.548
137 HB2 CYS 21 HB2 CYS 21 -7.932 5.284 0.816
138 HB3 CYS 21 HB1 CYS 21 -7.414 4.360 -0.590
139 H ASP 22 HN ASP 22 -6.931 5.157 2.479
140 HA ASP 22 HA ASP 22 -4.199 4.900 2.352
141 HB2 ASP 22 HB2 ASP 22 -5.698 6.766 3.391
142 HB3 ASP 22 HB1 ASP 22 -5.477 5.864 4.888
143 H TYR 23 HN TYR 23 -6.427 3.166 4.423
144 HA TYR 23 HA TYR 23 -4.338 2.107 6.104
145 HB2 TYR 23 HB2 TYR 23 -7.070 2.431 6.381
146 HB3 TYR 23 HB1 TYR 23 -6.888 0.692 6.186
147 HD1 TYR 23 HD1 TYR 23 -4.930 3.344 7.955
148 HD2 TYR 23 HD2 TYR 23 -6.931 -0.401 8.215
149 HE1 TYR 23 HE1 TYR 23 -4.264 3.160 10.314
150 HE2 TYR 23 HE2 TYR 23 -6.271 -0.595 10.575
151 HH TYR 23 HH TYR 23 -4.068 1.691 12.063
152 H MET 24 HN MET 24 -6.820 0.325 4.274
153 HA MET 24 HA MET 24 -5.549 -2.089 4.126
154 HB2 MET 24 HB2 MET 24 -7.748 -0.792 2.808
155 HB3 MET 24 HB1 MET 24 -6.848 -1.751 1.644
156 HG2 MET 24 HG2 MET 24 -7.547 -2.990 4.253
157 HG3 MET 24 HG1 MET 24 -8.818 -2.780 3.045
158 HE1 MET 24 HE1 MET 24 -5.553 -4.065 4.053
159 HE2 MET 24 HE2 MET 24 -5.046 -5.262 2.862
160 HE3 MET 24 HE3 MET 24 -6.237 -5.690 4.091
161 H TYR 25 HN TYR 25 -5.328 0.556 1.757
162 HA TYR 25 HA TYR 25 -3.670 -0.618 -0.108
163 HB2 TYR 25 HB2 TYR 25 -4.728 1.638 -0.287
164 HB3 TYR 25 HB1 TYR 25 -3.511 2.258 0.812
165 HD1 TYR 25 HD1 TYR 25 -3.880 0.536 -2.466
166 HD2 TYR 25 HD2 TYR 25 -1.490 3.068 -0.023
167 HE1 TYR 25 HE1 TYR 25 -2.380 0.945 -4.369
168 HE2 TYR 25 HE2 TYR 25 0.018 3.486 -1.920
169 HH TYR 25 HH TYR 25 0.181 3.324 -4.214
170 H SER 26 HN SER 26 -2.485 1.670 2.331
171 HA SER 26 HA SER 26 0.200 1.203 2.108
172 HB2 SER 26 HB2 SER 26 -1.549 2.139 4.320
173 HB3 SER 26 HB1 SER 26 0.100 1.681 4.745
174 HG SER 26 HG SER 26 -0.752 3.659 2.909
175 H HIS 27 HN HIS 27 -1.983 -0.450 4.394
176 HA HIS 27 HA HIS 27 -0.170 -2.168 5.561
177 HB2 HIS 27 HB2 HIS 27 -3.092 -2.170 5.132
178 HB3 HIS 27 HB1 HIS 27 -2.379 -3.744 5.459
179 HD1 HIS 27 HD1 HIS 27 -2.435 -4.297 7.857
180 HD2 HIS 27 HD2 HIS 27 -2.023 -0.209 7.236
181 HE1 HIS 27 HE1 HIS 27 -2.359 -3.273 10.152
182 HE2 HIS 27 HE2 HIS 27 -2.037 -0.806 9.752
183 H CYS 28 HN CYS 28 -2.306 -2.985 2.821
184 HA CYS 28 HA CYS 28 -1.169 -5.452 2.223
185 HB2 CYS 28 HB2 CYS 28 -3.323 -4.461 1.308
186 HB3 CYS 28 HB1 CYS 28 -2.325 -3.572 0.163
187 H PHE 29 HN PHE 29 -0.356 -2.231 0.986
188 HA PHE 29 HA PHE 29 2.096 -3.378 -0.177
189 HB2 PHE 29 HB2 PHE 29 0.767 -0.791 -0.976
190 HB3 PHE 29 HB1 PHE 29 2.104 -1.592 -1.790
191 HD1 PHE 29 HD2 PHE 29 1.061 -4.400 -1.730
192 HD2 PHE 29 HD1 PHE 29 -0.833 -0.710 -2.683
193 HE1 PHE 29 HE2 PHE 29 -0.532 -5.594 -3.177
194 HE2 PHE 29 HE1 PHE 29 -2.428 -1.897 -4.131
195 HZ PHE 29 HZ PHE 29 -2.278 -4.343 -4.380
196 H GLY 30 HN GLY 30 3.189 -3.198 1.830
197 HA2 GLY 30 HA2 GLY 30 3.506 -0.575 3.018
198 HA3 GLY 30 HA1 GLY 30 4.205 -2.073 3.604
199 H ILE 31 HN ILE 31 4.846 -1.891 0.346
200 HA ILE 31 HA ILE 31 6.790 -1.610 -0.809
201 HB ILE 31 HB ILE 31 7.078 0.906 0.830
202 HG12 ILE 31 HG12 ILE 31 5.812 1.126 -1.803
203 HG13 ILE 31 HG11 ILE 31 4.855 0.207 -0.645
204 HG21 ILE 31 HG21 ILE 31 9.027 0.630 -0.424
205 HG22 ILE 31 HG22 ILE 31 8.033 1.698 -1.415
206 HG23 ILE 31 HG23 ILE 31 8.154 -0.017 -1.812
207 HD11 ILE 31 HD11 ILE 31 5.250 3.039 -0.851
208 HD12 ILE 31 HD12 ILE 31 5.733 2.459 0.744
209 HD13 ILE 31 HD13 ILE 31 4.108 2.132 0.140
210 H LYS 32 HN LYS 32 7.783 -3.432 0.252
211 HA LYS 32 HA LYS 32 10.023 -2.617 1.980
212 HB2 LYS 32 HB2 LYS 32 7.994 -4.053 2.962
213 HB3 LYS 32 HB1 LYS 32 8.926 -5.368 2.261
214 HG2 LYS 32 HG2 LYS 32 9.949 -3.372 4.271
215 HG3 LYS 32 HG1 LYS 32 9.463 -5.033 4.615
216 HD2 LYS 32 HD2 LYS 32 11.221 -5.841 3.096
217 HD3 LYS 32 HD1 LYS 32 11.720 -4.174 2.805
218 HE2 LYS 32 HE2 LYS 32 12.664 -3.950 4.874
219 HE3 LYS 32 HE1 LYS 32 11.565 -5.108 5.620
220 HZ1 LYS 32 HZ1 LYS 32 14.050 -5.714 5.213
221 HZ2 LYS 32 HZ2 LYS 32 13.514 -6.071 3.649
222 HZ3 LYS 32 HZ3 LYS 32 12.842 -6.875 4.976
223 H HIS 33 HN HIS 33 10.619 -2.547 -0.538
224 HA HIS 33 HA HIS 33 12.561 -4.566 -0.905
225 HB2 HIS 33 HB2 HIS 33 10.101 -5.451 -1.691
226 HB3 HIS 33 HB1 HIS 33 10.714 -4.763 -3.192
227 HD1 HIS 33 HD1 HIS 33 12.511 -6.053 -4.421
228 HD2 HIS 33 HD2 HIS 33 11.640 -7.638 -0.679
229 HE1 HIS 33 HE1 HIS 33 13.702 -8.267 -4.334
230 HE2 HIS 33 HE2 HIS 33 13.202 -9.185 -2.042
231 H HIS 34 HN HIS 34 12.936 -1.945 -0.837
232 HA HIS 34 HA HIS 34 14.211 -1.356 -3.267
233 HB2 HIS 34 HB2 HIS 34 11.429 -0.651 -3.193
234 HB3 HIS 34 HB1 HIS 34 12.398 0.818 -3.249
235 HD1 HIS 34 HD1 HIS 34 11.482 -2.193 -5.257
236 HD2 HIS 34 HD2 HIS 34 13.821 1.220 -5.637
237 HE1 HIS 34 HE1 HIS 34 12.083 -2.058 -7.695
238 HE2 HIS 34 HE2 HIS 34 13.454 0.044 -7.911
239 H SER 35 HN SER 35 15.253 0.759 -3.259
240 HA SER 35 HA SER 35 15.351 1.982 -0.582
241 HB2 SER 35 HB2 SER 35 17.867 2.158 -2.047
242 HB3 SER 35 HB1 SER 35 17.566 1.631 -0.392
243 HG SER 35 HG SER 35 17.789 -0.336 -1.063
244 H SER 36 HN SER 36 14.738 4.030 -0.670
245 HA SER 36 HA SER 36 14.972 5.492 -3.194
246 HB2 SER 36 HB2 SER 36 13.073 5.480 -0.999
247 HB3 SER 36 HB1 SER 36 13.633 7.115 -1.354
248 HG SER 36 HG SER 36 12.290 5.292 -3.029
249 H GLY 37 HN GLY 37 15.146 6.568 0.198
250 HA2 GLY 37 HA2 GLY 37 17.162 8.520 -0.512
251 HA3 GLY 37 HA1 GLY 37 16.427 8.303 1.069
252 H SER 38 HN SER 38 17.424 7.038 2.583
253 HA SER 38 HA SER 38 19.060 5.826 3.606
254 HB2 SER 38 HB2 SER 38 18.667 4.362 1.474
255 HB3 SER 38 HB1 SER 38 20.220 5.022 0.958
256 HG SER 38 HG SER 38 21.082 3.572 2.193
257 H SER 39 HN SER 39 20.634 6.908 0.594
258 HA SER 39 HA SER 39 22.034 9.051 1.755
259 HB2 SER 39 HB2 SER 39 23.164 7.121 2.929
260 HB3 SER 39 HB1 SER 39 23.767 6.605 1.354
261 HG SER 39 HG SER 39 24.307 9.040 2.704
262 H SER 40 HN SER 40 21.034 9.676 -0.319
263 HA SER 40 HA SER 40 22.840 9.085 -2.572
264 HB2 SER 40 HB2 SER 40 19.917 9.794 -2.864
265 HB3 SER 40 HB1 SER 40 21.010 9.175 -4.101
266 HG SER 40 HG SER 40 19.429 7.720 -2.798
267 H TYR 41 HN TYR 41 20.596 11.474 -1.203
268 HA TYR 41 HA TYR 41 22.307 13.588 -2.329
269 HB2 TYR 41 HB2 TYR 41 19.294 13.465 -2.241
270 HB3 TYR 41 HB1 TYR 41 20.175 14.972 -2.478
271 HD1 TYR 41 HD2 TYR 41 22.175 14.587 -4.353
272 HD2 TYR 41 HD1 TYR 41 18.423 12.589 -4.177
273 HE1 TYR 41 HE2 TYR 41 22.310 14.134 -6.766
274 HE2 TYR 41 HE1 TYR 41 18.547 12.130 -6.590
275 HH TYR 41 HH TYR 41 19.878 13.402 -8.638
276 H HIS 42 HN HIS 42 22.812 15.266 -1.003
277 HA HIS 42 HA HIS 42 21.949 15.006 1.789
278 HB2 HIS 42 HB2 HIS 42 24.428 15.951 0.458
279 HB3 HIS 42 HB1 HIS 42 23.961 16.784 1.937
280 HD1 HIS 42 HD1 HIS 42 26.277 15.649 2.795
281 HD2 HIS 42 HD2 HIS 42 23.067 13.093 2.144
282 HE1 HIS 42 HE1 HIS 42 26.844 13.530 4.026
283 HE2 HIS 42 HE2 HIS 42 24.915 11.975 3.564
284 H CYS 43 HN CYS 43 20.072 16.129 0.131
285 HA CYS 43 HA CYS 43 20.290 19.026 0.429
286 HB2 CYS 43 HB2 CYS 43 19.478 18.083 -1.716
287 HB3 CYS 43 HB1 CYS 43 18.106 17.380 -0.868
288 H1 NAG 44 H1 NAG 44 -11.042 10.772 2.343
289 H2 NAG 44 H2 NAG 44 -12.119 10.426 0.125
290 H3 NAG 44 H3 NAG 44 -14.598 10.439 0.021
291 H4 NAG 44 H4 NAG 44 -15.838 9.693 2.091
292 H5 NAG 44 H5 NAG 44 -14.733 10.357 4.296
293 H61 NAG 44 H61 NAG 44 -13.652 7.974 2.751
294 H62 NAG 44 H62 NAG 44 -15.025 8.012 3.872
295 H81 NAG 44 H81 NAG 44 -12.749 14.685 1.260
296 H82 NAG 44 H82 NAG 44 -11.640 14.939 -0.118
297 H83 NAG 44 H83 NAG 44 -13.388 14.721 -0.407
298 HN2 NAG 44 HN2 NAG 44 -13.381 12.561 1.777
299 HO3 NAG 44 HO3 NAG 44 -14.650 8.281 0.245
300 HO4 NAG 44 HO4 NAG 44 -15.644 11.883 3.058
301 HO6 NAG 44 HO6 NAG 44 -13.516 8.538 5.554
302 H1 NAG 45 H1 NAG 45 17.337 18.532 -3.136
303 H2 NAG 45 H2 NAG 45 15.003 20.120 -1.975
304 H3 NAG 45 H3 NAG 45 15.140 18.140 -4.301
305 H4 NAG 45 H4 NAG 45 14.632 21.155 -4.296
306 H5 NAG 45 H5 NAG 45 17.015 19.554 -5.338
307 H61 NAG 45 H61 NAG 45 18.035 21.793 -5.662
308 H62 NAG 45 H62 NAG 45 16.493 22.555 -5.215
309 H81 NAG 45 H81 NAG 45 13.555 15.693 -0.958
310 H82 NAG 45 H82 NAG 45 14.698 16.349 0.247
311 H83 NAG 45 H83 NAG 45 12.952 16.688 0.396
312 HN2 NAG 45 HN2 NAG 45 15.898 17.440 -1.433
313 HO3 NAG 45 HO3 NAG 45 12.996 18.384 -4.363
314 HO4 NAG 45 HO4 NAG 45 14.750 19.151 -6.334
315 HO6 NAG 45 HO6 NAG 45 16.869 20.755 -7.416
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 -5.300 -16.743 3.736
2 H2 LYS 1 HT2 LYS 1 -5.101 -18.271 2.981
3 H3 LYS 1 HT3 LYS 1 -6.528 -17.355 2.708
4 HA LYS 1 HA LYS 1 -3.845 -16.398 1.999
5 HB2 LYS 1 HB2 LYS 1 -4.640 -17.101 -0.351
6 HB3 LYS 1 HB1 LYS 1 -4.036 -18.354 0.723
7 HG2 LYS 1 HG2 LYS 1 -6.108 -19.287 1.030
8 HG3 LYS 1 HG1 LYS 1 -6.957 -17.782 0.673
9 HD2 LYS 1 HD2 LYS 1 -5.372 -19.184 -1.448
10 HD3 LYS 1 HD1 LYS 1 -7.016 -19.699 -1.065
11 HE2 LYS 1 HE2 LYS 1 -7.469 -17.092 -1.296
12 HE3 LYS 1 HE1 LYS 1 -6.049 -17.196 -2.335
13 HZ1 LYS 1 HZ1 LYS 1 -8.732 -18.125 -2.799
14 HZ2 LYS 1 HZ2 LYS 1 -7.554 -19.285 -3.157
15 HZ3 LYS 1 HZ3 LYS 1 -7.502 -17.770 -3.907
16 HA PRO 2 HA PRO 2 -7.138 -13.130 1.707
17 HB2 PRO 2 HB2 PRO 2 -5.636 -11.134 2.757
18 HB3 PRO 2 HB1 PRO 2 -6.557 -12.263 3.757
19 HG2 PRO 2 HG2 PRO 2 -3.641 -12.278 3.079
20 HG3 PRO 2 HG1 PRO 2 -4.429 -12.581 4.639
21 HD2 PRO 2 HD2 PRO 2 -3.540 -14.578 3.033
22 HD3 PRO 2 HD1 PRO 2 -4.950 -14.758 4.095
23 H ALA 3 HN ALA 3 -7.262 -11.395 0.253
24 HA ALA 3 HA ALA 3 -5.069 -10.241 -1.076
25 HB1 ALA 3 HB1 ALA 3 -4.623 -12.247 -2.186
26 HB2 ALA 3 HB2 ALA 3 -5.559 -11.310 -3.351
27 HB3 ALA 3 HB3 ALA 3 -6.334 -12.599 -2.431
28 H TRP 4 HN TRP 4 -7.481 -9.353 0.090
29 HA TRP 4 HA TRP 4 -9.088 -8.482 -2.200
30 HB2 TRP 4 HB2 TRP 4 -10.631 -7.646 -0.328
31 HB3 TRP 4 HB1 TRP 4 -10.512 -9.381 -0.571
32 HD1 TRP 4 HD1 TRP 4 -9.054 -10.754 1.272
33 HE1 TRP 4 HE1 TRP 4 -8.611 -10.245 3.758
34 HE3 TRP 4 HE3 TRP 4 -10.294 -5.808 1.301
35 HZ2 TRP 4 HZ2 TRP 4 -8.772 -8.026 5.502
36 HZ3 TRP 4 HZ3 TRP 4 -10.127 -4.556 3.417
37 HH2 TRP 4 HH2 TRP 4 -9.381 -5.644 5.471
38 H CYS 5 HN CYS 5 -6.428 -7.419 -1.518
39 HA CYS 5 HA CYS 5 -6.604 -4.893 -0.299
40 HB2 CYS 5 HB2 CYS 5 -4.676 -5.551 -2.520
41 HB3 CYS 5 HB1 CYS 5 -4.432 -4.482 -1.144
42 H TRP 6 HN TRP 6 -6.346 -5.628 -3.783
43 HA TRP 6 HA TRP 6 -6.814 -3.131 -4.796
44 HB2 TRP 6 HB2 TRP 6 -7.776 -4.303 -6.799
45 HB3 TRP 6 HB1 TRP 6 -6.197 -4.888 -6.279
46 HD1 TRP 6 HD1 TRP 6 -6.004 -7.372 -5.633
47 HE1 TRP 6 HE1 TRP 6 -7.655 -9.357 -5.567
48 HE3 TRP 6 HE3 TRP 6 -10.339 -4.791 -6.260
49 HZ2 TRP 6 HZ2 TRP 6 -10.455 -9.753 -5.756
50 HZ3 TRP 6 HZ3 TRP 6 -12.471 -6.030 -6.307
51 HH2 TRP 6 HH2 TRP 6 -12.523 -8.460 -6.058
52 H TYR 7 HN TYR 7 -9.129 -5.432 -3.533
53 HA TYR 7 HA TYR 7 -11.520 -4.349 -4.428
54 HB2 TYR 7 HB2 TYR 7 -10.700 -6.219 -2.442
55 HB3 TYR 7 HB1 TYR 7 -11.853 -5.117 -1.698
56 HD1 TYR 7 HD2 TYR 7 -13.646 -4.548 -3.990
57 HD2 TYR 7 HD1 TYR 7 -11.880 -8.188 -2.695
58 HE1 TYR 7 HE2 TYR 7 -15.496 -5.799 -5.019
59 HE2 TYR 7 HE1 TYR 7 -13.724 -9.458 -3.719
60 HH TYR 7 HH TYR 7 -15.512 -8.666 -5.898
61 H THR 8 HN THR 8 -9.870 -3.684 -1.354
62 HA THR 8 HA THR 8 -11.468 -1.653 -0.399
63 HB THR 8 HB THR 8 -8.485 -2.066 -0.162
64 HG1 THR 8 HG1 THR 8 -9.898 -3.601 0.818
65 HG21 THR 8 HG21 THR 8 -9.859 0.295 0.542
66 HG22 THR 8 HG22 THR 8 -8.197 -0.162 0.917
67 HG23 THR 8 HG23 THR 8 -9.501 -0.576 2.032
68 H LEU 9 HN LEU 9 -9.031 -1.553 -2.905
69 HA LEU 9 HA LEU 9 -9.057 1.327 -3.111
70 HB2 LEU 9 HB2 LEU 9 -7.805 -0.876 -4.728
71 HB3 LEU 9 HB1 LEU 9 -7.752 0.795 -5.254
72 HG LEU 9 HG LEU 9 -5.711 -0.050 -4.025
73 HD11 LEU 9 HD11 LEU 9 -5.721 2.036 -2.473
74 HD12 LEU 9 HD12 LEU 9 -7.252 2.394 -3.271
75 HD13 LEU 9 HD13 LEU 9 -5.774 2.246 -4.223
76 HD21 LEU 9 HD21 LEU 9 -5.764 -0.386 -1.706
77 HD22 LEU 9 HD22 LEU 9 -7.164 -1.270 -2.313
78 HD23 LEU 9 HD23 LEU 9 -7.380 0.307 -1.553
79 H ALA 10 HN ALA 10 -10.472 -1.402 -4.831
80 HA ALA 10 HA ALA 10 -11.539 0.047 -7.003
81 HB1 ALA 10 HB1 ALA 10 -13.021 -2.336 -6.096
82 HB2 ALA 10 HB2 ALA 10 -11.308 -2.574 -6.444
83 HB3 ALA 10 HB3 ALA 10 -12.380 -1.933 -7.688
84 H MET 11 HN MET 11 -12.875 -0.842 -3.847
85 HA MET 11 HA MET 11 -15.438 0.330 -4.400
86 HB2 MET 11 HB2 MET 11 -16.015 -0.265 -2.155
87 HB3 MET 11 HB1 MET 11 -15.089 -1.591 -2.844
88 HG2 MET 11 HG2 MET 11 -13.063 -0.518 -1.707
89 HG3 MET 11 HG1 MET 11 -14.245 0.414 -0.786
90 HE1 MET 11 HE1 MET 11 -16.043 -0.456 0.494
91 HE2 MET 11 HE2 MET 11 -15.909 -1.875 1.533
92 HE3 MET 11 HE3 MET 11 -16.639 -2.018 -0.066
93 H CYS 12 HN CYS 12 -12.534 1.772 -3.910
94 HA CYS 12 HA CYS 12 -13.231 3.771 -1.993
95 HB2 CYS 12 HB2 CYS 12 -10.878 2.921 -3.106
96 HB3 CYS 12 HB1 CYS 12 -11.132 4.452 -3.937
97 H GLY 13 HN GLY 13 -12.717 3.929 -5.526
98 HA2 GLY 13 HA2 GLY 13 -14.146 5.033 -7.049
99 HA3 GLY 13 HA1 GLY 13 -14.888 5.882 -5.702
100 H ALA 14 HN ALA 14 -11.424 5.651 -6.168
101 HA ALA 14 HA ALA 14 -9.826 7.200 -6.647
102 HB1 ALA 14 HB1 ALA 14 -11.902 7.739 -8.460
103 HB2 ALA 14 HB2 ALA 14 -10.208 8.211 -8.585
104 HB3 ALA 14 HB3 ALA 14 -11.375 9.301 -7.835
105 H GLY 15 HN GLY 15 -10.063 7.383 -4.211
106 HA2 GLY 15 HA2 GLY 15 -10.613 10.206 -3.557
107 HA3 GLY 15 HA1 GLY 15 -11.193 8.917 -2.512
108 H TYR 16 HN TYR 16 -9.009 11.210 -2.540
109 HA TYR 16 HA TYR 16 -6.640 9.722 -1.823
110 HB2 TYR 16 HB2 TYR 16 -7.234 12.684 -1.631
111 HB3 TYR 16 HB1 TYR 16 -5.656 11.942 -1.385
112 HD1 TYR 16 HD2 TYR 16 -4.751 10.523 -3.387
113 HD2 TYR 16 HD1 TYR 16 -7.802 13.466 -3.739
114 HE1 TYR 16 HE2 TYR 16 -4.280 10.713 -5.793
115 HE2 TYR 16 HE1 TYR 16 -7.342 13.663 -6.146
116 HH TYR 16 HH TYR 16 -5.566 11.440 -7.869
117 H ASP 17 HN ASP 17 -6.701 8.647 0.050
118 HA ASP 17 HA ASP 17 -6.976 8.165 2.259
119 HB2 ASP 17 HB2 ASP 17 -5.353 10.213 2.202
120 HB3 ASP 17 HB1 ASP 17 -6.722 11.090 2.879
121 H SER 18 HN SER 18 -9.182 7.581 2.014
122 HA SER 18 HA SER 18 -11.097 9.592 2.996
123 HB2 SER 18 HB2 SER 18 -11.423 8.531 0.676
124 HB3 SER 18 HB1 SER 18 -11.853 7.060 1.547
125 H GLY 19 HN GLY 19 -9.898 6.313 3.385
126 HA2 GLY 19 HA2 GLY 19 -10.470 6.199 6.122
127 HA3 GLY 19 HA1 GLY 19 -11.795 5.422 5.269
128 H THR 20 HN THR 20 -11.372 3.524 4.038
129 HA THR 20 HA THR 20 -9.354 1.862 5.228
130 HB THR 20 HB THR 20 -10.843 0.918 2.845
131 HG1 THR 20 HG1 THR 20 -12.781 0.891 3.854
132 HG21 THR 20 HG21 THR 20 -10.462 -0.232 5.598
133 HG22 THR 20 HG22 THR 20 -9.554 -0.664 4.149
134 HG23 THR 20 HG23 THR 20 -11.277 -1.027 4.252
135 H CYS 21 HN CYS 21 -9.763 3.612 2.251
136 HA CYS 21 HA CYS 21 -8.039 2.355 0.530
137 HB2 CYS 21 HB2 CYS 21 -9.230 4.944 0.750
138 HB3 CYS 21 HB1 CYS 21 -7.549 5.141 0.270
139 H ASP 22 HN ASP 22 -7.029 5.194 2.431
140 HA ASP 22 HA ASP 22 -4.306 4.908 2.028
141 HB2 ASP 22 HB2 ASP 22 -5.832 6.745 3.271
142 HB3 ASP 22 HB1 ASP 22 -5.133 5.946 4.676
143 H TYR 23 HN TYR 23 -6.346 3.368 4.452
144 HA TYR 23 HA TYR 23 -4.119 2.305 5.920
145 HB2 TYR 23 HB2 TYR 23 -6.345 2.801 6.945
146 HB3 TYR 23 HB1 TYR 23 -7.012 1.441 6.048
147 HD1 TYR 23 HD1 TYR 23 -4.324 2.273 8.496
148 HD2 TYR 23 HD2 TYR 23 -7.005 -0.674 7.005
149 HE1 TYR 23 HE1 TYR 23 -3.660 0.757 10.316
150 HE2 TYR 23 HE2 TYR 23 -6.349 -2.198 8.819
151 HH TYR 23 HH TYR 23 -3.782 -2.111 10.458
152 H MET 24 HN MET 24 -6.774 0.479 4.385
153 HA MET 24 HA MET 24 -5.557 -1.959 4.242
154 HB2 MET 24 HB2 MET 24 -7.858 -0.762 3.140
155 HB3 MET 24 HB1 MET 24 -7.021 -1.539 1.802
156 HG2 MET 24 HG2 MET 24 -7.216 -3.179 4.219
157 HG3 MET 24 HG1 MET 24 -8.764 -2.767 3.480
158 HE1 MET 24 HE1 MET 24 -5.995 -5.986 2.532
159 HE2 MET 24 HE2 MET 24 -5.823 -4.695 3.722
160 HE3 MET 24 HE3 MET 24 -5.102 -4.521 2.122
161 H TYR 25 HN TYR 25 -5.281 0.678 1.888
162 HA TYR 25 HA TYR 25 -3.875 -0.550 -0.130
163 HB2 TYR 25 HB2 TYR 25 -4.580 1.753 -0.312
164 HB3 TYR 25 HB1 TYR 25 -3.519 2.232 0.997
165 HD1 TYR 25 HD1 TYR 25 -3.675 1.203 -2.526
166 HD2 TYR 25 HD2 TYR 25 -1.159 2.560 0.625
167 HE1 TYR 25 HE1 TYR 25 -1.896 1.673 -4.157
168 HE2 TYR 25 HE2 TYR 25 0.627 3.035 -0.996
169 HH TYR 25 HH TYR 25 0.363 3.534 -3.933
170 H SER 26 HN SER 26 -2.176 1.521 2.180
171 HA SER 26 HA SER 26 0.348 0.421 1.776
172 HB2 SER 26 HB2 SER 26 -0.585 1.581 4.403
173 HB3 SER 26 HB1 SER 26 1.047 1.593 3.740
174 HG SER 26 HG SER 26 0.266 2.970 2.079
175 H HIS 27 HN HIS 27 -2.259 -0.615 3.897
176 HA HIS 27 HA HIS 27 -0.903 -2.366 5.573
177 HB2 HIS 27 HB2 HIS 27 -3.403 -1.749 5.563
178 HB3 HIS 27 HB1 HIS 27 -3.589 -3.031 4.372
179 HD1 HIS 27 HD1 HIS 27 -3.575 -2.446 7.937
180 HD2 HIS 27 HD2 HIS 27 -2.684 -5.640 5.434
181 HE1 HIS 27 HE1 HIS 27 -3.628 -4.485 9.407
182 HE2 HIS 27 HE2 HIS 27 -3.004 -6.396 7.887
183 H CYS 28 HN CYS 28 -2.063 -2.785 2.296
184 HA CYS 28 HA CYS 28 -1.021 -5.490 2.107
185 HB2 CYS 28 HB2 CYS 28 -3.174 -4.602 0.990
186 HB3 CYS 28 HB1 CYS 28 -2.096 -3.832 -0.167
187 H PHE 29 HN PHE 29 -0.139 -2.231 1.389
188 HA PHE 29 HA PHE 29 1.769 -1.261 0.697
189 HB2 PHE 29 HB2 PHE 29 2.984 -2.721 2.127
190 HB3 PHE 29 HB1 PHE 29 2.845 -4.062 0.997
191 HD1 PHE 29 HD1 PHE 29 4.266 -0.639 1.308
192 HD2 PHE 29 HD2 PHE 29 4.549 -4.476 -0.511
193 HE1 PHE 29 HE1 PHE 29 6.415 0.003 0.298
194 HE2 PHE 29 HE2 PHE 29 6.699 -3.841 -1.524
195 HZ PHE 29 HZ PHE 29 7.635 -1.599 -1.120
196 H GLY 30 HN GLY 30 1.102 -0.573 -1.230
197 HA2 GLY 30 HA2 GLY 30 0.822 -0.461 -3.502
198 HA3 GLY 30 HA1 GLY 30 2.406 -1.219 -3.532
199 H ILE 31 HN ILE 31 -0.929 -1.591 -4.176
200 HA ILE 31 HA ILE 31 -0.774 -4.482 -4.459
201 HB ILE 31 HB ILE 31 -3.130 -4.329 -5.184
202 HG12 ILE 31 HG12 ILE 31 -3.852 -1.738 -4.413
203 HG13 ILE 31 HG11 ILE 31 -2.427 -1.524 -5.425
204 HG21 ILE 31 HG21 ILE 31 -2.596 -4.624 -2.832
205 HG22 ILE 31 HG22 ILE 31 -4.041 -3.632 -3.018
206 HG23 ILE 31 HG23 ILE 31 -2.498 -2.876 -2.619
207 HD11 ILE 31 HD11 ILE 31 -4.212 -3.404 -6.640
208 HD12 ILE 31 HD12 ILE 31 -3.622 -1.858 -7.252
209 HD13 ILE 31 HD13 ILE 31 -5.069 -1.915 -6.245
210 H LYS 32 HN LYS 32 1.080 -3.709 -6.075
211 HA LYS 32 HA LYS 32 -0.124 -3.654 -8.766
212 HB2 LYS 32 HB2 LYS 32 1.368 -1.671 -7.881
213 HB3 LYS 32 HB1 LYS 32 2.688 -2.756 -8.292
214 HG2 LYS 32 HG2 LYS 32 0.909 -2.736 -10.484
215 HG3 LYS 32 HG1 LYS 32 1.169 -1.060 -9.995
216 HD2 LYS 32 HD2 LYS 32 3.406 -3.029 -10.439
217 HD3 LYS 32 HD1 LYS 32 2.797 -1.952 -11.696
218 HE2 LYS 32 HE2 LYS 32 3.284 -0.034 -10.158
219 HE3 LYS 32 HE1 LYS 32 4.081 -1.181 -9.081
220 HZ1 LYS 32 HZ1 LYS 32 5.638 -1.714 -10.832
221 HZ2 LYS 32 HZ2 LYS 32 5.649 -0.047 -10.550
222 HZ3 LYS 32 HZ3 LYS 32 4.851 -0.668 -11.905
223 H HIS 33 HN HIS 33 0.267 -6.043 -7.339
224 HA HIS 33 HA HIS 33 1.220 -8.109 -7.479
225 HB2 HIS 33 HB2 HIS 33 0.457 -7.422 -9.943
226 HB3 HIS 33 HB1 HIS 33 2.187 -7.553 -10.240
227 HD1 HIS 33 HD1 HIS 33 -0.818 -9.604 -9.349
228 HD2 HIS 33 HD2 HIS 33 3.212 -10.149 -10.204
229 HE1 HIS 33 HE1 HIS 33 -0.528 -12.081 -9.671
230 HE2 HIS 33 HE2 HIS 33 1.927 -12.393 -10.146
231 H HIS 34 HN HIS 34 2.870 -6.982 -5.987
232 HA HIS 34 HA HIS 34 5.465 -7.874 -6.774
233 HB2 HIS 34 HB2 HIS 34 4.953 -5.348 -7.638
234 HB3 HIS 34 HB1 HIS 34 5.626 -5.017 -6.044
235 HD1 HIS 34 HD1 HIS 34 7.729 -7.370 -6.083
236 HD2 HIS 34 HD2 HIS 34 7.151 -4.574 -9.103
237 HE1 HIS 34 HE1 HIS 34 9.896 -7.299 -7.357
238 HE2 HIS 34 HE2 HIS 34 9.500 -5.651 -9.222
239 H SER 35 HN SER 35 5.639 -9.047 -4.939
240 HA SER 35 HA SER 35 5.691 -7.542 -2.411
241 HB2 SER 35 HB2 SER 35 4.710 -9.464 -1.250
242 HB3 SER 35 HB1 SER 35 3.629 -8.896 -2.522
243 HG SER 35 HG SER 35 4.487 -10.588 -3.848
244 H SER 36 HN SER 36 7.956 -7.929 -3.905
245 HA SER 36 HA SER 36 9.382 -10.015 -2.388
246 HB2 SER 36 HB2 SER 36 9.279 -9.511 -5.238
247 HB3 SER 36 HB1 SER 36 10.934 -9.412 -4.642
248 HG SER 36 HG SER 36 9.154 -11.564 -4.136
249 H GLY 37 HN GLY 37 10.317 -8.905 -0.761
250 HA2 GLY 37 HA2 GLY 37 12.629 -7.541 -0.933
251 HA3 GLY 37 HA1 GLY 37 11.444 -6.272 -1.201
252 H SER 38 HN SER 38 13.291 -6.405 0.967
253 HA SER 38 HA SER 38 13.410 -6.226 3.235
254 HB2 SER 38 HB2 SER 38 10.994 -4.933 2.355
255 HB3 SER 38 HB1 SER 38 10.748 -5.620 3.960
256 HG SER 38 HG SER 38 12.279 -3.493 3.185
257 H SER 39 HN SER 39 13.770 -8.504 3.480
258 HA SER 39 HA SER 39 11.498 -9.874 4.758
259 HB2 SER 39 HB2 SER 39 13.481 -10.891 2.758
260 HB3 SER 39 HB1 SER 39 12.825 -12.004 3.958
261 HG SER 39 HG SER 39 11.653 -11.778 1.885
262 H SER 40 HN SER 40 12.553 -8.685 6.622
263 HA SER 40 HA SER 40 15.083 -9.487 7.594
264 HB2 SER 40 HB2 SER 40 12.976 -7.729 8.413
265 HB3 SER 40 HB1 SER 40 13.444 -8.732 9.786
266 HG SER 40 HG SER 40 15.659 -8.111 9.245
267 H TYR 41 HN TYR 41 11.789 -10.484 8.506
268 HA TYR 41 HA TYR 41 12.891 -12.685 10.078
269 HB2 TYR 41 HB2 TYR 41 10.129 -11.513 9.800
270 HB3 TYR 41 HB1 TYR 41 10.403 -13.052 10.610
271 HD1 TYR 41 HD1 TYR 41 12.295 -12.976 12.474
272 HD2 TYR 41 HD2 TYR 41 10.121 -9.594 11.080
273 HE1 TYR 41 HE1 TYR 41 12.820 -11.785 14.559
274 HE2 TYR 41 HE2 TYR 41 10.641 -8.394 13.161
275 HH TYR 41 HH TYR 41 13.006 -9.337 15.287
276 H HIS 42 HN HIS 42 12.963 -14.722 9.380
277 HA HIS 42 HA HIS 42 11.570 -15.368 6.868
278 HB2 HIS 42 HB2 HIS 42 14.256 -15.556 7.428
279 HB3 HIS 42 HB1 HIS 42 13.696 -17.201 7.712
280 HD1 HIS 42 HD1 HIS 42 15.158 -17.825 5.578
281 HD2 HIS 42 HD2 HIS 42 11.851 -15.416 4.853
282 HE1 HIS 42 HE1 HIS 42 14.773 -17.941 3.095
283 HE2 HIS 42 HE2 HIS 42 12.791 -16.445 2.674
284 H CYS 43 HN CYS 43 11.604 -18.035 6.808
285 HA CYS 43 HA CYS 43 9.478 -18.779 8.479
286 HB2 CYS 43 HB2 CYS 43 11.381 -20.668 7.085
287 HB3 CYS 43 HB1 CYS 43 9.715 -20.987 7.554
288 H1 NAG 44 H1 NAG 44 -13.833 6.809 0.975
289 H2 NAG 44 H2 NAG 44 -14.415 7.637 3.607
290 H3 NAG 44 H3 NAG 44 -16.860 7.494 3.761
291 H4 NAG 44 H4 NAG 44 -18.209 7.767 1.646
292 H5 NAG 44 H5 NAG 44 -17.003 8.544 0.393
293 H61 NAG 44 H61 NAG 44 -18.153 7.160 -0.937
294 H62 NAG 44 H62 NAG 44 -17.020 8.390 -1.542
295 H81 NAG 44 H81 NAG 44 -15.172 3.294 2.864
296 H82 NAG 44 H82 NAG 44 -16.561 3.284 3.985
297 H83 NAG 44 H83 NAG 44 -14.896 3.273 4.627
298 HN2 NAG 44 HN2 NAG 44 -14.650 5.275 2.057
299 HO3 NAG 44 HO3 NAG 44 -16.795 9.587 3.509
300 HO4 NAG 44 HO4 NAG 44 -17.565 5.469 0.936
301 HO6 NAG 44 HO6 NAG 44 -15.677 6.828 -2.248
302 H1 NAG 45 H1 NAG 45 8.089 -21.235 6.079
303 H2 NAG 45 H2 NAG 45 7.097 -18.494 5.171
304 H3 NAG 45 H3 NAG 45 5.605 -20.940 6.240
305 H4 NAG 45 H4 NAG 45 5.605 -19.654 3.465
306 H5 NAG 45 H5 NAG 45 6.677 -22.353 4.412
307 H61 NAG 45 H61 NAG 45 6.213 -22.879 2.246
308 H62 NAG 45 H62 NAG 45 7.742 -22.016 1.972
309 H81 NAG 45 H81 NAG 45 7.620 -17.937 9.498
310 H82 NAG 45 H82 NAG 45 6.473 -16.580 9.334
311 H83 NAG 45 H83 NAG 45 5.878 -18.201 9.784
312 HN2 NAG 45 HN2 NAG 45 7.778 -19.461 7.793
313 HO3 NAG 45 HO3 NAG 45 4.042 -19.552 6.506
314 HO4 NAG 45 HO4 NAG 45 3.706 -20.633 3.500
315 HO6 NAG 45 HO6 NAG 45 5.115 -21.233 1.384
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 -3.782 -17.294 -3.708
2 H2 LYS 1 HT2 LYS 1 -4.342 -16.117 -4.824
3 H3 LYS 1 HT3 LYS 1 -5.414 -16.772 -3.654
4 HA LYS 1 HA LYS 1 -4.028 -15.831 -1.913
5 HB2 LYS 1 HB2 LYS 1 -2.412 -15.269 -4.270
6 HB3 LYS 1 HB1 LYS 1 -2.682 -13.827 -3.303
7 HG2 LYS 1 HG2 LYS 1 -0.879 -14.533 -2.182
8 HG3 LYS 1 HG1 LYS 1 -2.025 -15.605 -1.375
9 HD2 LYS 1 HD2 LYS 1 -1.481 -17.140 -3.470
10 HD3 LYS 1 HD1 LYS 1 0.018 -16.209 -3.447
11 HE2 LYS 1 HE2 LYS 1 -0.658 -17.034 -0.785
12 HE3 LYS 1 HE1 LYS 1 -0.667 -18.431 -1.862
13 HZ1 LYS 1 HZ1 LYS 1 1.566 -16.537 -1.393
14 HZ2 LYS 1 HZ2 LYS 1 1.567 -17.684 -2.635
15 HZ3 LYS 1 HZ3 LYS 1 1.520 -18.187 -1.021
16 HA PRO 2 HA PRO 2 -7.511 -13.055 -3.051
17 HB2 PRO 2 HB2 PRO 2 -8.825 -13.267 -0.707
18 HB3 PRO 2 HB1 PRO 2 -8.967 -14.486 -1.979
19 HG2 PRO 2 HG2 PRO 2 -7.300 -14.524 0.505
20 HG3 PRO 2 HG1 PRO 2 -8.263 -15.826 -0.216
21 HD2 PRO 2 HD2 PRO 2 -5.559 -15.613 -0.517
22 HD3 PRO 2 HD1 PRO 2 -6.618 -16.376 -1.720
23 H ALA 3 HN ALA 3 -6.775 -11.014 -3.027
24 HA ALA 3 HA ALA 3 -5.791 -9.905 -0.484
25 HB1 ALA 3 HB1 ALA 3 -4.478 -9.957 -2.840
26 HB2 ALA 3 HB2 ALA 3 -4.225 -8.729 -1.600
27 HB3 ALA 3 HB3 ALA 3 -5.293 -8.397 -2.963
28 H TRP 4 HN TRP 4 -8.053 -9.606 0.140
29 HA TRP 4 HA TRP 4 -9.994 -8.169 -1.136
30 HB2 TRP 4 HB2 TRP 4 -9.510 -9.037 1.505
31 HB3 TRP 4 HB1 TRP 4 -9.920 -7.329 1.616
32 HD1 TRP 4 HD1 TRP 4 -11.486 -10.663 1.358
33 HE1 TRP 4 HE1 TRP 4 -14.012 -10.445 0.920
34 HE3 TRP 4 HE3 TRP 4 -11.675 -5.699 0.152
35 HZ2 TRP 4 HZ2 TRP 4 -15.843 -8.435 0.164
36 HZ3 TRP 4 HZ3 TRP 4 -13.853 -4.706 -0.417
37 HH2 TRP 4 HH2 TRP 4 -15.894 -6.047 -0.410
38 H CYS 5 HN CYS 5 -7.044 -6.963 0.238
39 HA CYS 5 HA CYS 5 -7.584 -4.304 0.670
40 HB2 CYS 5 HB2 CYS 5 -5.242 -3.877 0.337
41 HB3 CYS 5 HB1 CYS 5 -5.407 -5.459 1.092
42 H TRP 6 HN TRP 6 -6.898 -5.898 -2.423
43 HA TRP 6 HA TRP 6 -6.726 -3.603 -3.990
44 HB2 TRP 6 HB2 TRP 6 -6.568 -5.008 -5.759
45 HB3 TRP 6 HB1 TRP 6 -6.385 -6.216 -4.496
46 HD1 TRP 6 HD1 TRP 6 -8.853 -7.427 -3.790
47 HE1 TRP 6 HE1 TRP 6 -10.682 -8.271 -5.403
48 HE3 TRP 6 HE3 TRP 6 -7.602 -4.684 -7.888
49 HZ2 TRP 6 HZ2 TRP 6 -11.482 -7.813 -8.080
50 HZ3 TRP 6 HZ3 TRP 6 -8.941 -4.933 -9.944
51 HH2 TRP 6 HH2 TRP 6 -10.842 -6.464 -10.034
52 H TYR 7 HN TYR 7 -9.553 -5.517 -3.074
53 HA TYR 7 HA TYR 7 -11.456 -4.186 -4.622
54 HB2 TYR 7 HB2 TYR 7 -11.461 -6.025 -2.368
55 HB3 TYR 7 HB1 TYR 7 -12.781 -4.863 -2.265
56 HD1 TYR 7 HD1 TYR 7 -13.293 -4.491 -5.201
57 HD2 TYR 7 HD2 TYR 7 -12.630 -8.003 -2.894
58 HE1 TYR 7 HE1 TYR 7 -14.578 -5.801 -6.839
59 HE2 TYR 7 HE2 TYR 7 -13.913 -9.324 -4.525
60 HH TYR 7 HH TYR 7 -15.974 -8.160 -6.620
61 H THR 8 HN THR 8 -10.012 -3.369 -1.532
62 HA THR 8 HA THR 8 -11.777 -1.303 -0.799
63 HB THR 8 HB THR 8 -8.988 -2.086 -0.055
64 HG1 THR 8 HG1 THR 8 -10.215 -2.999 1.361
65 HG21 THR 8 HG21 THR 8 -9.281 -0.172 1.743
66 HG22 THR 8 HG22 THR 8 -10.099 0.622 0.398
67 HG23 THR 8 HG23 THR 8 -8.426 0.091 0.223
68 H LEU 9 HN LEU 9 -8.901 -1.379 -2.835
69 HA LEU 9 HA LEU 9 -8.805 1.456 -3.223
70 HB2 LEU 9 HB2 LEU 9 -7.488 -0.874 -4.596
71 HB3 LEU 9 HB1 LEU 9 -7.258 0.778 -5.139
72 HG LEU 9 HG LEU 9 -5.397 0.219 -3.767
73 HD11 LEU 9 HD11 LEU 9 -5.475 1.920 -2.119
74 HD12 LEU 9 HD12 LEU 9 -7.231 1.816 -1.998
75 HD13 LEU 9 HD13 LEU 9 -6.485 2.465 -3.457
76 HD21 LEU 9 HD21 LEU 9 -6.374 -1.698 -2.620
77 HD22 LEU 9 HD22 LEU 9 -7.388 -0.617 -1.661
78 HD23 LEU 9 HD23 LEU 9 -5.635 -0.582 -1.472
79 H ALA 10 HN ALA 10 -10.093 -1.283 -5.047
80 HA ALA 10 HA ALA 10 -10.769 0.051 -7.403
81 HB1 ALA 10 HB1 ALA 10 -12.742 -1.933 -6.804
82 HB2 ALA 10 HB2 ALA 10 -11.148 -2.516 -6.324
83 HB3 ALA 10 HB3 ALA 10 -11.430 -1.985 -7.982
84 H MET 11 HN MET 11 -12.312 0.027 -4.285
85 HA MET 11 HA MET 11 -14.562 1.575 -5.385
86 HB2 MET 11 HB2 MET 11 -14.332 -0.052 -2.853
87 HB3 MET 11 HB1 MET 11 -15.687 1.015 -3.196
88 HG2 MET 11 HG2 MET 11 -15.060 -0.906 -5.323
89 HG3 MET 11 HG1 MET 11 -15.611 -1.617 -3.804
90 HE1 MET 11 HE1 MET 11 -18.678 -1.636 -3.403
91 HE2 MET 11 HE2 MET 11 -18.856 0.090 -3.087
92 HE3 MET 11 HE3 MET 11 -17.426 -0.769 -2.513
93 H CYS 12 HN CYS 12 -11.843 2.552 -4.702
94 HA CYS 12 HA CYS 12 -12.040 4.066 -2.290
95 HB2 CYS 12 HB2 CYS 12 -9.952 3.317 -3.788
96 HB3 CYS 12 HB1 CYS 12 -10.184 4.933 -4.446
97 H GLY 13 HN GLY 13 -11.932 5.119 -5.704
98 HA2 GLY 13 HA2 GLY 13 -12.749 7.015 -6.716
99 HA3 GLY 13 HA1 GLY 13 -14.153 6.754 -5.693
100 H ALA 14 HN ALA 14 -10.908 7.497 -4.548
101 HA ALA 14 HA ALA 14 -11.690 10.249 -3.964
102 HB1 ALA 14 HB1 ALA 14 -11.517 10.132 -1.682
103 HB2 ALA 14 HB2 ALA 14 -10.470 8.714 -1.722
104 HB3 ALA 14 HB3 ALA 14 -12.198 8.542 -2.029
105 H GLY 15 HN GLY 15 -9.764 11.417 -2.874
106 HA2 GLY 15 HA2 GLY 15 -7.607 11.432 -4.623
107 HA3 GLY 15 HA1 GLY 15 -7.587 12.132 -3.012
108 H TYR 16 HN TYR 16 -7.751 9.993 -1.374
109 HA TYR 16 HA TYR 16 -6.333 7.718 -1.885
110 HB2 TYR 16 HB2 TYR 16 -4.392 8.925 -2.556
111 HB3 TYR 16 HB1 TYR 16 -4.517 10.014 -1.180
112 HD1 TYR 16 HD1 TYR 16 -4.795 6.315 -1.102
113 HD2 TYR 16 HD2 TYR 16 -2.396 9.709 -0.192
114 HE1 TYR 16 HE1 TYR 16 -3.249 4.877 0.157
115 HE2 TYR 16 HE2 TYR 16 -0.843 8.280 1.070
116 HH TYR 16 HH TYR 16 -1.582 5.004 1.850
117 H ASP 17 HN ASP 17 -6.918 10.286 0.319
118 HA ASP 17 HA ASP 17 -6.791 8.452 2.602
119 HB2 ASP 17 HB2 ASP 17 -5.588 10.750 2.545
120 HB3 ASP 17 HB1 ASP 17 -7.192 11.422 2.827
121 H SER 18 HN SER 18 -8.845 7.540 1.620
122 HA SER 18 HA SER 18 -11.217 9.153 2.142
123 HB2 SER 18 HB2 SER 18 -10.712 7.413 0.147
124 HB3 SER 18 HB1 SER 18 -11.498 6.326 1.291
125 H GLY 19 HN GLY 19 -9.871 5.999 3.113
126 HA2 GLY 19 HA2 GLY 19 -10.436 6.233 5.816
127 HA3 GLY 19 HA1 GLY 19 -11.856 5.501 5.088
128 H THR 20 HN THR 20 -11.254 3.628 3.532
129 HA THR 20 HA THR 20 -9.736 1.736 5.105
130 HB THR 20 HB THR 20 -10.821 0.975 2.449
131 HG1 THR 20 HG1 THR 20 -12.739 1.673 2.856
132 HG21 THR 20 HG21 THR 20 -10.288 -0.946 3.496
133 HG22 THR 20 HG22 THR 20 -11.905 -0.747 4.172
134 HG23 THR 20 HG23 THR 20 -10.493 -0.258 5.108
135 H CYS 21 HN CYS 21 -9.589 3.114 1.841
136 HA CYS 21 HA CYS 21 -7.506 1.742 0.740
137 HB2 CYS 21 HB2 CYS 21 -7.881 4.732 0.525
138 HB3 CYS 21 HB1 CYS 21 -7.059 3.691 -0.631
139 H ASP 22 HN ASP 22 -7.040 4.857 2.413
140 HA ASP 22 HA ASP 22 -4.317 4.908 2.514
141 HB2 ASP 22 HB2 ASP 22 -6.251 6.477 3.547
142 HB3 ASP 22 HB1 ASP 22 -5.654 5.732 5.028
143 H TYR 23 HN TYR 23 -6.431 2.856 4.358
144 HA TYR 23 HA TYR 23 -4.260 2.014 6.115
145 HB2 TYR 23 HB2 TYR 23 -6.971 2.281 6.521
146 HB3 TYR 23 HB1 TYR 23 -6.785 0.544 6.311
147 HD1 TYR 23 HD1 TYR 23 -5.300 3.403 8.196
148 HD2 TYR 23 HD2 TYR 23 -6.198 -0.756 8.142
149 HE1 TYR 23 HE1 TYR 23 -4.531 3.213 10.523
150 HE2 TYR 23 HE2 TYR 23 -5.431 -0.958 10.469
151 HH TYR 23 HH TYR 23 -4.689 1.824 12.408
152 H MET 24 HN MET 24 -6.742 0.191 4.313
153 HA MET 24 HA MET 24 -5.420 -2.211 4.196
154 HB2 MET 24 HB2 MET 24 -7.586 -0.886 2.688
155 HB3 MET 24 HB1 MET 24 -6.830 -2.257 1.903
156 HG2 MET 24 HG2 MET 24 -8.789 -2.939 3.159
157 HG3 MET 24 HG1 MET 24 -7.325 -3.653 3.838
158 HE1 MET 24 HE1 MET 24 -8.222 -4.258 6.193
159 HE2 MET 24 HE2 MET 24 -7.820 -3.048 7.411
160 HE3 MET 24 HE3 MET 24 -6.627 -3.503 6.193
161 H TYR 25 HN TYR 25 -5.252 0.512 1.933
162 HA TYR 25 HA TYR 25 -3.684 -0.742 -0.030
163 HB2 TYR 25 HB2 TYR 25 -4.934 1.501 -0.150
164 HB3 TYR 25 HB1 TYR 25 -3.516 2.193 0.618
165 HD1 TYR 25 HD1 TYR 25 -3.729 -0.452 -1.996
166 HD2 TYR 25 HD2 TYR 25 -2.514 3.508 -1.022
167 HE1 TYR 25 HE1 TYR 25 -2.634 -0.255 -4.188
168 HE2 TYR 25 HE2 TYR 25 -1.417 3.716 -3.213
169 HH TYR 25 HH TYR 25 -0.760 1.107 -5.195
170 H SER 26 HN SER 26 -2.544 1.761 2.231
171 HA SER 26 HA SER 26 0.157 1.412 1.874
172 HB2 SER 26 HB2 SER 26 -1.546 2.548 3.992
173 HB3 SER 26 HB1 SER 26 0.063 2.061 4.524
174 HG SER 26 HG SER 26 -0.220 4.275 3.646
175 H HIS 27 HN HIS 27 -2.004 -0.395 3.993
176 HA HIS 27 HA HIS 27 0.069 -1.876 5.277
177 HB2 HIS 27 HB2 HIS 27 -2.178 -1.505 6.271
178 HB3 HIS 27 HB1 HIS 27 -2.867 -2.559 5.039
179 HD1 HIS 27 HD1 HIS 27 -1.534 -5.057 5.046
180 HD2 HIS 27 HD2 HIS 27 -1.712 -2.846 8.560
181 HE1 HIS 27 HE1 HIS 27 -1.113 -6.703 6.898
182 HE2 HIS 27 HE2 HIS 27 -1.300 -5.358 9.020
183 H CYS 28 HN CYS 28 -2.343 -2.775 2.810
184 HA CYS 28 HA CYS 28 -1.392 -5.361 2.347
185 HB2 CYS 28 HB2 CYS 28 -3.581 -4.577 1.567
186 HB3 CYS 28 HB1 CYS 28 -2.795 -3.497 0.422
187 H PHE 29 HN PHE 29 -0.814 -2.438 0.378
188 HA PHE 29 HA PHE 29 1.195 -3.711 -1.196
189 HB2 PHE 29 HB2 PHE 29 -0.188 -1.171 -1.166
190 HB3 PHE 29 HB1 PHE 29 1.535 -0.940 -1.445
191 HD1 PHE 29 HD2 PHE 29 2.629 -2.202 -3.335
192 HD2 PHE 29 HD1 PHE 29 -1.593 -1.944 -2.868
193 HE1 PHE 29 HE2 PHE 29 2.335 -2.826 -5.697
194 HE2 PHE 29 HE1 PHE 29 -1.895 -2.568 -5.230
195 HZ PHE 29 HZ PHE 29 0.066 -3.018 -6.644
196 H GLY 30 HN GLY 30 1.198 -2.068 1.825
197 HA2 GLY 30 HA2 GLY 30 2.885 -1.672 3.333
198 HA3 GLY 30 HA1 GLY 30 3.894 -2.729 2.358
199 H ILE 31 HN ILE 31 5.398 -0.941 3.288
200 HA ILE 31 HA ILE 31 5.747 1.025 1.141
201 HB ILE 31 HB ILE 31 6.417 2.747 2.789
202 HG12 ILE 31 HG12 ILE 31 5.003 1.593 5.046
203 HG13 ILE 31 HG11 ILE 31 6.385 0.606 4.584
204 HG21 ILE 31 HG21 ILE 31 3.629 1.934 3.481
205 HG22 ILE 31 HG22 ILE 31 4.034 2.364 1.820
206 HG23 ILE 31 HG23 ILE 31 4.274 3.534 3.116
207 HD11 ILE 31 HD11 ILE 31 6.836 3.518 4.787
208 HD12 ILE 31 HD12 ILE 31 7.884 2.168 5.225
209 HD13 ILE 31 HD13 ILE 31 6.558 2.637 6.289
210 H LYS 32 HN LYS 32 7.287 -0.770 0.604
211 HA LYS 32 HA LYS 32 9.773 -0.579 2.167
212 HB2 LYS 32 HB2 LYS 32 9.121 -2.670 0.093
213 HB3 LYS 32 HB1 LYS 32 10.401 -2.709 1.299
214 HG2 LYS 32 HG2 LYS 32 8.188 -2.487 2.865
215 HG3 LYS 32 HG1 LYS 32 7.581 -3.453 1.518
216 HD2 LYS 32 HD2 LYS 32 8.397 -5.019 3.070
217 HD3 LYS 32 HD1 LYS 32 9.655 -4.901 1.838
218 HE2 LYS 32 HE2 LYS 32 11.092 -3.747 3.225
219 HE3 LYS 32 HE1 LYS 32 9.789 -3.143 4.245
220 HZ1 LYS 32 HZ1 LYS 32 9.627 -5.152 5.364
221 HZ2 LYS 32 HZ2 LYS 32 11.296 -4.976 5.159
222 HZ3 LYS 32 HZ3 LYS 32 10.427 -6.023 4.154
223 H HIS 33 HN HIS 33 9.518 1.603 0.749
224 HA HIS 33 HA HIS 33 11.120 1.165 -1.686
225 HB2 HIS 33 HB2 HIS 33 8.838 2.989 -1.122
226 HB3 HIS 33 HB1 HIS 33 10.124 3.600 -2.157
227 HD1 HIS 33 HD1 HIS 33 7.730 3.457 -3.698
228 HD2 HIS 33 HD2 HIS 33 9.941 0.005 -3.021
229 HE1 HIS 33 HE1 HIS 33 7.040 1.852 -5.507
230 HE2 HIS 33 HE2 HIS 33 8.461 -0.195 -5.132
231 H HIS 34 HN HIS 34 12.379 1.321 0.771
232 HA HIS 34 HA HIS 34 14.070 3.615 0.348
233 HB2 HIS 34 HB2 HIS 34 12.109 3.535 2.551
234 HB3 HIS 34 HB1 HIS 34 13.750 3.959 3.028
235 HD1 HIS 34 HD1 HIS 34 14.790 5.936 1.286
236 HD2 HIS 34 HD2 HIS 34 10.682 5.714 1.875
237 HE1 HIS 34 HE1 HIS 34 13.891 8.186 0.611
238 HE2 HIS 34 HE2 HIS 34 11.398 8.017 0.939
239 H SER 35 HN SER 35 15.426 1.739 -0.108
240 HA SER 35 HA SER 35 16.573 0.624 2.365
241 HB2 SER 35 HB2 SER 35 15.957 -0.761 -0.238
242 HB3 SER 35 HB1 SER 35 17.185 -1.385 0.862
243 HG SER 35 HG SER 35 14.492 -0.856 1.585
244 H SER 36 HN SER 36 17.578 2.938 1.452
245 HA SER 36 HA SER 36 19.965 2.225 -0.110
246 HB2 SER 36 HB2 SER 36 19.376 5.071 0.504
247 HB3 SER 36 HB1 SER 36 19.997 4.341 -0.977
248 HG SER 36 HG SER 36 17.956 4.933 -1.468
249 H GLY 37 HN GLY 37 20.789 1.203 1.893
250 HA2 GLY 37 HA2 GLY 37 21.413 2.803 4.170
251 HA3 GLY 37 HA1 GLY 37 22.055 1.206 3.817
252 H SER 38 HN SER 38 23.335 3.715 4.818
253 HA SER 38 HA SER 38 25.007 4.750 2.774
254 HB2 SER 38 HB2 SER 38 26.393 5.567 4.754
255 HB3 SER 38 HB1 SER 38 24.714 6.102 4.708
256 HG SER 38 HG SER 38 25.535 5.253 6.777
257 H SER 39 HN SER 39 25.182 1.966 4.844
258 HA SER 39 HA SER 39 27.134 0.672 3.326
259 HB2 SER 39 HB2 SER 39 29.044 0.730 4.952
260 HB3 SER 39 HB1 SER 39 28.736 2.275 4.158
261 HG SER 39 HG SER 39 28.962 2.719 6.304
262 H SER 40 HN SER 40 25.210 -0.688 3.814
263 HA SER 40 HA SER 40 24.160 -2.396 4.898
264 HB2 SER 40 HB2 SER 40 26.766 -3.012 6.262
265 HB3 SER 40 HB1 SER 40 25.561 -4.127 5.618
266 HG SER 40 HG SER 40 26.173 -3.336 3.505
267 H TYR 41 HN TYR 41 23.093 -0.616 6.151
268 HA TYR 41 HA TYR 41 23.942 -0.400 8.930
269 HB2 TYR 41 HB2 TYR 41 22.746 1.377 7.187
270 HB3 TYR 41 HB1 TYR 41 21.410 0.879 8.219
271 HD1 TYR 41 HD1 TYR 41 23.023 0.439 10.757
272 HD2 TYR 41 HD2 TYR 41 22.998 3.610 7.920
273 HE1 TYR 41 HE1 TYR 41 23.789 1.996 12.499
274 HE2 TYR 41 HE2 TYR 41 23.765 5.175 9.654
275 HH TYR 41 HH TYR 41 23.744 5.367 12.102
276 H HIS 42 HN HIS 42 20.737 -0.876 7.440
277 HA HIS 42 HA HIS 42 19.884 -2.409 9.738
278 HB2 HIS 42 HB2 HIS 42 18.414 -0.723 8.609
279 HB3 HIS 42 HB1 HIS 42 18.348 -1.788 7.209
280 HD1 HIS 42 HD1 HIS 42 16.114 -0.870 9.548
281 HD2 HIS 42 HD2 HIS 42 17.694 -4.607 8.659
282 HE1 HIS 42 HE1 HIS 42 14.443 -2.531 10.429
283 HE2 HIS 42 HE2 HIS 42 15.393 -4.787 9.831
284 H CYS 43 HN CYS 43 20.301 -2.952 6.259
285 HA CYS 43 HA CYS 43 20.671 -5.801 6.809
286 HB2 CYS 43 HB2 CYS 43 18.266 -4.979 5.899
287 HB3 CYS 43 HB1 CYS 43 19.111 -5.182 4.368
288 H1 NAG 44 H1 NAG 44 -13.590 6.607 2.048
289 H2 NAG 44 H2 NAG 44 -14.981 8.887 0.634
290 H3 NAG 44 H3 NAG 44 -17.030 7.801 2.109
291 H4 NAG 44 H4 NAG 44 -15.588 6.038 2.282
292 H5 NAG 44 H5 NAG 44 -14.655 4.491 1.468
293 H61 NAG 44 H61 NAG 44 -16.799 3.980 -0.157
294 H62 NAG 44 H62 NAG 44 -15.187 3.256 -0.344
295 H81 NAG 44 H81 NAG 44 -16.049 9.574 5.287
296 H82 NAG 44 H82 NAG 44 -14.413 10.092 4.794
297 H83 NAG 44 H83 NAG 44 -15.802 11.193 4.577
298 HN2 NAG 44 HN2 NAG 44 -14.095 8.403 3.273
299 HO3 NAG 44 HO3 NAG 44 -17.877 7.982 0.177
300 HO4 NAG 44 HO4 NAG 44 -18.020 5.500 2.351
301 HO6 NAG 44 HO6 NAG 44 -16.423 4.693 -2.131
302 H1 NAG 45 H1 NAG 45 17.265 -6.642 7.230
303 H2 NAG 45 H2 NAG 45 17.801 -9.641 7.035
304 H3 NAG 45 H3 NAG 45 15.861 -8.059 8.785
305 H4 NAG 45 H4 NAG 45 18.360 -9.658 9.526
306 H5 NAG 45 H5 NAG 45 17.826 -6.652 9.625
307 H61 NAG 45 H61 NAG 45 20.338 -6.617 10.064
308 H62 NAG 45 H62 NAG 45 20.223 -8.359 10.400
309 H81 NAG 45 H81 NAG 45 13.904 -9.396 4.880
310 H82 NAG 45 H82 NAG 45 15.034 -9.088 3.533
311 H83 NAG 45 H83 NAG 45 14.614 -10.765 3.982
312 HN2 NAG 45 HN2 NAG 45 15.355 -8.121 6.265
313 HO3 NAG 45 HO3 NAG 45 16.537 -10.820 8.942
314 HO4 NAG 45 HO4 NAG 45 16.357 -9.393 10.973
315 HO6 NAG 45 HO6 NAG 45 18.701 -7.855 12.067
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 -0.496 -14.415 -5.182
2 H2 LYS 1 HT2 LYS 1 -0.912 -12.751 -5.231
3 H3 LYS 1 HT3 LYS 1 -2.081 -13.941 -5.631
4 HA LYS 1 HA LYS 1 -1.874 -14.808 -3.366
5 HB2 LYS 1 HB2 LYS 1 0.359 -13.831 -2.961
6 HB3 LYS 1 HB1 LYS 1 -0.347 -12.222 -3.000
7 HG2 LYS 1 HG2 LYS 1 -1.594 -12.642 -1.009
8 HG3 LYS 1 HG1 LYS 1 -1.132 -14.346 -1.020
9 HD2 LYS 1 HD2 LYS 1 1.088 -12.401 -1.038
10 HD3 LYS 1 HD1 LYS 1 0.126 -12.463 0.440
11 HE2 LYS 1 HE2 LYS 1 0.701 -14.657 0.880
12 HE3 LYS 1 HE1 LYS 1 1.090 -15.001 -0.805
13 HZ1 LYS 1 HZ1 LYS 1 3.181 -14.811 -0.035
14 HZ2 LYS 1 HZ2 LYS 1 2.746 -13.843 1.283
15 HZ3 LYS 1 HZ3 LYS 1 2.915 -13.155 -0.253
16 HA PRO 2 HA PRO 2 -5.757 -12.708 -3.089
17 HB2 PRO 2 HB2 PRO 2 -5.522 -13.199 -0.167
18 HB3 PRO 2 HB1 PRO 2 -6.819 -13.640 -1.283
19 HG2 PRO 2 HG2 PRO 2 -5.125 -15.480 -0.366
20 HG3 PRO 2 HG1 PRO 2 -5.709 -15.526 -2.041
21 HD2 PRO 2 HD2 PRO 2 -3.059 -14.643 -0.979
22 HD3 PRO 2 HD1 PRO 2 -3.443 -15.521 -2.474
23 H ALA 3 HN ALA 3 -4.878 -10.612 -3.576
24 HA ALA 3 HA ALA 3 -4.160 -8.955 -1.265
25 HB1 ALA 3 HB1 ALA 3 -3.808 -8.610 -4.225
26 HB2 ALA 3 HB2 ALA 3 -2.577 -8.662 -2.963
27 HB3 ALA 3 HB3 ALA 3 -3.631 -7.256 -3.109
28 H TRP 4 HN TRP 4 -6.566 -9.308 -0.745
29 HA TRP 4 HA TRP 4 -8.657 -8.191 -2.140
30 HB2 TRP 4 HB2 TRP 4 -8.386 -9.381 0.296
31 HB3 TRP 4 HB1 TRP 4 -8.766 -7.730 0.765
32 HD1 TRP 4 HD1 TRP 4 -10.233 -10.569 -1.389
33 HE1 TRP 4 HE1 TRP 4 -12.796 -10.324 -1.409
34 HE3 TRP 4 HE3 TRP 4 -10.640 -6.196 1.217
35 HZ2 TRP 4 HZ2 TRP 4 -14.734 -8.508 -0.443
36 HZ3 TRP 4 HZ3 TRP 4 -12.883 -5.271 1.629
37 HH2 TRP 4 HH2 TRP 4 -14.886 -6.404 0.815
38 H CYS 5 HN CYS 5 -6.090 -6.554 -0.503
39 HA CYS 5 HA CYS 5 -7.141 -4.145 0.222
40 HB2 CYS 5 HB2 CYS 5 -4.883 -3.184 -0.688
41 HB3 CYS 5 HB1 CYS 5 -4.884 -4.307 0.667
42 H TRP 6 HN TRP 6 -6.035 -4.965 -3.074
43 HA TRP 6 HA TRP 6 -6.649 -2.552 -4.273
44 HB2 TRP 6 HB2 TRP 6 -6.141 -3.560 -6.239
45 HB3 TRP 6 HB1 TRP 6 -5.554 -4.827 -5.171
46 HD1 TRP 6 HD1 TRP 6 -7.476 -6.840 -4.697
47 HE1 TRP 6 HE1 TRP 6 -9.031 -7.956 -6.428
48 HE3 TRP 6 HE3 TRP 6 -7.352 -3.239 -8.290
49 HZ2 TRP 6 HZ2 TRP 6 -10.069 -7.362 -8.995
50 HZ3 TRP 6 HZ3 TRP 6 -8.650 -3.574 -10.360
51 HH2 TRP 6 HH2 TRP 6 -9.981 -5.593 -10.701
52 H TYR 7 HN TYR 7 -8.740 -5.266 -3.524
53 HA TYR 7 HA TYR 7 -11.012 -4.527 -4.946
54 HB2 TYR 7 HB2 TYR 7 -10.351 -6.430 -2.951
55 HB3 TYR 7 HB1 TYR 7 -11.791 -5.584 -2.395
56 HD1 TYR 7 HD1 TYR 7 -10.880 -6.266 -5.913
57 HD2 TYR 7 HD2 TYR 7 -13.406 -7.295 -2.650
58 HE1 TYR 7 HE1 TYR 7 -12.251 -7.646 -7.419
59 HE2 TYR 7 HE2 TYR 7 -14.785 -8.677 -4.144
60 HH TYR 7 HH TYR 7 -15.258 -8.653 -6.759
61 H THR 8 HN THR 8 -9.898 -3.510 -1.750
62 HA THR 8 HA THR 8 -12.161 -2.003 -1.049
63 HB THR 8 HB THR 8 -10.062 -2.731 0.353
64 HG1 THR 8 HG1 THR 8 -11.875 -1.704 1.224
65 HG21 THR 8 HG21 THR 8 -9.222 0.082 0.270
66 HG22 THR 8 HG22 THR 8 -8.692 -0.915 -1.083
67 HG23 THR 8 HG23 THR 8 -8.284 -1.382 0.566
68 H LEU 9 HN LEU 9 -9.313 -1.244 -2.942
69 HA LEU 9 HA LEU 9 -9.773 1.547 -3.157
70 HB2 LEU 9 HB2 LEU 9 -8.103 -0.454 -4.595
71 HB3 LEU 9 HB1 LEU 9 -8.375 1.096 -5.369
72 HG LEU 9 HG LEU 9 -7.518 2.169 -3.231
73 HD11 LEU 9 HD11 LEU 9 -7.517 0.625 -1.556
74 HD12 LEU 9 HD12 LEU 9 -5.854 0.442 -2.118
75 HD13 LEU 9 HD13 LEU 9 -7.090 -0.707 -2.632
76 HD21 LEU 9 HD21 LEU 9 -6.086 0.864 -5.384
77 HD22 LEU 9 HD22 LEU 9 -5.102 1.010 -3.927
78 HD23 LEU 9 HD23 LEU 9 -5.827 2.446 -4.650
79 H ALA 10 HN ALA 10 -10.850 -1.238 -5.004
80 HA ALA 10 HA ALA 10 -11.930 0.164 -7.204
81 HB1 ALA 10 HB1 ALA 10 -12.154 -2.572 -6.103
82 HB2 ALA 10 HB2 ALA 10 -11.779 -2.034 -7.740
83 HB3 ALA 10 HB3 ALA 10 -13.449 -2.040 -7.173
84 H MET 11 HN MET 11 -13.252 -0.801 -4.085
85 HA MET 11 HA MET 11 -15.890 0.198 -4.703
86 HB2 MET 11 HB2 MET 11 -14.789 -0.636 -2.017
87 HB3 MET 11 HB1 MET 11 -16.482 -0.480 -2.468
88 HG2 MET 11 HG2 MET 11 -15.572 -2.270 -4.315
89 HG3 MET 11 HG1 MET 11 -14.618 -2.688 -2.888
90 HE1 MET 11 HE1 MET 11 -15.344 -4.726 -1.842
91 HE2 MET 11 HE2 MET 11 -16.845 -4.828 -0.920
92 HE3 MET 11 HE3 MET 11 -15.687 -3.541 -0.582
93 H CYS 12 HN CYS 12 -12.963 1.500 -3.504
94 HA CYS 12 HA CYS 12 -13.666 3.424 -1.699
95 HB2 CYS 12 HB2 CYS 12 -11.447 2.882 -3.319
96 HB3 CYS 12 HB1 CYS 12 -11.878 4.548 -3.679
97 H GLY 13 HN GLY 13 -13.666 5.884 -2.204
98 HA2 GLY 13 HA2 GLY 13 -15.202 6.535 -4.602
99 HA3 GLY 13 HA1 GLY 13 -15.991 6.808 -3.057
100 H ALA 14 HN ALA 14 -14.605 8.119 -1.468
101 HA ALA 14 HA ALA 14 -14.263 10.680 -2.406
102 HB1 ALA 14 HB1 ALA 14 -14.373 9.857 0.005
103 HB2 ALA 14 HB2 ALA 14 -13.310 11.224 -0.331
104 HB3 ALA 14 HB3 ALA 14 -12.631 9.610 -0.123
105 H GLY 15 HN GLY 15 -12.073 11.919 -2.165
106 HA2 GLY 15 HA2 GLY 15 -10.429 11.144 -4.306
107 HA3 GLY 15 HA1 GLY 15 -10.042 12.387 -3.128
108 H TYR 16 HN TYR 16 -8.122 12.038 -2.253
109 HA TYR 16 HA TYR 16 -7.285 9.258 -1.762
110 HB2 TYR 16 HB2 TYR 16 -5.867 11.660 -2.713
111 HB3 TYR 16 HB1 TYR 16 -4.994 10.721 -1.505
112 HD1 TYR 16 HD2 TYR 16 -5.621 7.979 -2.122
113 HD2 TYR 16 HD1 TYR 16 -4.940 11.227 -4.784
114 HE1 TYR 16 HE2 TYR 16 -4.908 6.395 -3.862
115 HE2 TYR 16 HE1 TYR 16 -4.227 9.651 -6.533
116 HH TYR 16 HH TYR 16 -3.169 7.056 -6.352
117 H ASP 17 HN ASP 17 -6.245 8.737 0.201
118 HA ASP 17 HA ASP 17 -5.940 8.766 2.454
119 HB2 ASP 17 HB2 ASP 17 -4.897 11.124 1.608
120 HB3 ASP 17 HB1 ASP 17 -6.129 11.704 2.725
121 H SER 18 HN SER 18 -8.043 7.850 2.710
122 HA SER 18 HA SER 18 -9.964 9.730 3.913
123 HB2 SER 18 HB2 SER 18 -10.668 8.815 1.653
124 HB3 SER 18 HB1 SER 18 -10.753 7.228 2.418
125 H GLY 19 HN GLY 19 -9.315 6.223 3.678
126 HA2 GLY 19 HA2 GLY 19 -8.842 5.893 6.439
127 HA3 GLY 19 HA1 GLY 19 -10.524 5.522 6.099
128 H THR 20 HN THR 20 -10.888 3.926 4.310
129 HA THR 20 HA THR 20 -9.426 1.559 4.864
130 HB THR 20 HB THR 20 -11.139 1.773 2.429
131 HG1 THR 20 HG1 THR 20 -12.875 2.244 3.510
132 HG21 THR 20 HG21 THR 20 -12.055 -0.347 3.291
133 HG22 THR 20 HG22 THR 20 -10.912 -0.262 4.631
134 HG23 THR 20 HG23 THR 20 -10.322 -0.413 2.975
135 H CYS 21 HN CYS 21 -9.777 3.394 1.823
136 HA CYS 21 HA CYS 21 -8.056 2.059 0.203
137 HB2 CYS 21 HB2 CYS 21 -9.016 4.818 0.372
138 HB3 CYS 21 HB1 CYS 21 -7.462 4.670 -0.440
139 H ASP 22 HN ASP 22 -7.100 4.682 2.420
140 HA ASP 22 HA ASP 22 -4.327 4.446 1.853
141 HB2 ASP 22 HB2 ASP 22 -6.023 6.029 3.623
142 HB3 ASP 22 HB1 ASP 22 -4.488 5.595 4.370
143 H TYR 23 HN TYR 23 -6.236 3.469 4.704
144 HA TYR 23 HA TYR 23 -4.181 2.209 6.094
145 HB2 TYR 23 HB2 TYR 23 -6.538 2.777 6.900
146 HB3 TYR 23 HB1 TYR 23 -7.044 1.267 6.150
147 HD1 TYR 23 HD1 TYR 23 -4.210 2.356 8.345
148 HD2 TYR 23 HD2 TYR 23 -7.330 -0.452 7.650
149 HE1 TYR 23 HE1 TYR 23 -3.557 1.138 10.377
150 HE2 TYR 23 HE2 TYR 23 -6.686 -1.679 9.682
151 HH TYR 23 HH TYR 23 -5.485 -1.135 11.859
152 H MET 24 HN MET 24 -6.783 0.451 4.393
153 HA MET 24 HA MET 24 -5.692 -2.047 4.426
154 HB2 MET 24 HB2 MET 24 -7.748 -0.686 2.950
155 HB3 MET 24 HB1 MET 24 -6.897 -1.798 1.894
156 HG2 MET 24 HG2 MET 24 -7.773 -2.764 4.565
157 HG3 MET 24 HG1 MET 24 -8.979 -2.563 3.294
158 HE1 MET 24 HE1 MET 24 -8.142 -6.137 4.187
159 HE2 MET 24 HE2 MET 24 -7.671 -4.731 5.141
160 HE3 MET 24 HE3 MET 24 -6.435 -5.752 4.408
161 H TYR 25 HN TYR 25 -5.428 0.142 1.613
162 HA TYR 25 HA TYR 25 -3.633 -1.333 0.131
163 HB2 TYR 25 HB2 TYR 25 -4.841 0.865 -0.458
164 HB3 TYR 25 HB1 TYR 25 -3.456 1.665 0.269
165 HD1 TYR 25 HD1 TYR 25 -3.588 -1.392 -1.858
166 HD2 TYR 25 HD2 TYR 25 -2.314 2.652 -1.504
167 HE1 TYR 25 HE1 TYR 25 -2.362 -1.599 -3.980
168 HE2 TYR 25 HE2 TYR 25 -1.085 2.457 -3.624
169 HH TYR 25 HH TYR 25 -0.111 -0.110 -4.957
170 H SER 26 HN SER 26 -2.728 1.457 2.146
171 HA SER 26 HA SER 26 -0.022 1.303 2.049
172 HB2 SER 26 HB2 SER 26 -1.716 1.937 4.464
173 HB3 SER 26 HB1 SER 26 0.010 2.273 4.350
174 HG SER 26 HG SER 26 -0.965 4.119 3.708
175 H HIS 27 HN HIS 27 -2.021 -0.442 4.430
176 HA HIS 27 HA HIS 27 0.165 -1.831 5.580
177 HB2 HIS 27 HB2 HIS 27 -2.588 -1.552 6.104
178 HB3 HIS 27 HB1 HIS 27 -2.307 -3.276 5.884
179 HD1 HIS 27 HD1 HIS 27 -1.614 -4.463 7.933
180 HD2 HIS 27 HD2 HIS 27 -0.613 -0.433 8.076
181 HE1 HIS 27 HE1 HIS 27 -0.615 -4.099 10.211
182 HE2 HIS 27 HE2 HIS 27 0.043 -1.668 10.253
183 H CYS 28 HN CYS 28 -1.960 -2.507 2.885
184 HA CYS 28 HA CYS 28 -1.161 -5.260 2.651
185 HB2 CYS 28 HB2 CYS 28 -3.376 -4.455 1.881
186 HB3 CYS 28 HB1 CYS 28 -2.576 -3.502 0.636
187 H PHE 29 HN PHE 29 -0.049 -2.205 1.445
188 HA PHE 29 HA PHE 29 1.696 -3.484 -0.515
189 HB2 PHE 29 HB2 PHE 29 0.330 -1.189 -0.715
190 HB3 PHE 29 HB1 PHE 29 1.824 -0.555 -0.034
191 HD1 PHE 29 HD1 PHE 29 0.457 -2.544 -2.843
192 HD2 PHE 29 HD2 PHE 29 3.710 -0.227 -1.373
193 HE1 PHE 29 HE1 PHE 29 1.483 -2.573 -5.080
194 HE2 PHE 29 HE2 PHE 29 4.742 -0.251 -3.607
195 HZ PHE 29 HZ PHE 29 3.627 -1.424 -5.463
196 H GLY 30 HN GLY 30 1.777 -2.168 2.663
197 HA2 GLY 30 HA2 GLY 30 3.460 -2.056 4.220
198 HA3 GLY 30 HA1 GLY 30 4.388 -3.113 3.166
199 H ILE 31 HN ILE 31 4.006 0.050 4.366
200 HA ILE 31 HA ILE 31 6.156 0.989 2.581
201 HB ILE 31 HB ILE 31 4.049 2.776 3.788
202 HG12 ILE 31 HG12 ILE 31 4.190 1.651 0.981
203 HG13 ILE 31 HG11 ILE 31 3.002 1.212 2.204
204 HG21 ILE 31 HG21 ILE 31 6.292 3.725 3.172
205 HG22 ILE 31 HG22 ILE 31 4.912 4.464 2.358
206 HG23 ILE 31 HG23 ILE 31 5.927 3.306 1.497
207 HD11 ILE 31 HD11 ILE 31 1.717 2.931 1.667
208 HD12 ILE 31 HD12 ILE 31 2.780 3.201 0.285
209 HD13 ILE 31 HD13 ILE 31 3.064 4.063 1.798
210 H LYS 32 HN LYS 32 7.655 0.251 4.188
211 HA LYS 32 HA LYS 32 7.915 2.149 6.417
212 HB2 LYS 32 HB2 LYS 32 7.073 -0.278 6.983
213 HB3 LYS 32 HB1 LYS 32 8.769 -0.696 6.785
214 HG2 LYS 32 HG2 LYS 32 9.427 0.668 8.578
215 HG3 LYS 32 HG1 LYS 32 7.880 1.513 8.610
216 HD2 LYS 32 HD2 LYS 32 7.601 0.085 10.380
217 HD3 LYS 32 HD1 LYS 32 6.946 -0.906 9.074
218 HE2 LYS 32 HE2 LYS 32 8.643 -2.388 9.175
219 HE3 LYS 32 HE1 LYS 32 9.847 -1.144 9.509
220 HZ1 LYS 32 HZ1 LYS 32 9.573 -1.345 11.731
221 HZ2 LYS 32 HZ2 LYS 32 9.083 -2.909 11.313
222 HZ3 LYS 32 HZ3 LYS 32 7.926 -1.716 11.625
223 H HIS 33 HN HIS 33 9.168 2.366 3.931
224 HA HIS 33 HA HIS 33 11.969 1.875 4.689
225 HB2 HIS 33 HB2 HIS 33 10.619 1.377 2.050
226 HB3 HIS 33 HB1 HIS 33 12.347 1.706 2.129
227 HD1 HIS 33 HD1 HIS 33 13.812 -0.062 3.448
228 HD2 HIS 33 HD2 HIS 33 9.874 -1.182 2.737
229 HE1 HIS 33 HE1 HIS 33 13.734 -2.542 3.857
230 HE2 HIS 33 HE2 HIS 33 11.354 -3.208 3.364
231 H HIS 34 HN HIS 34 10.454 4.232 5.168
232 HA HIS 34 HA HIS 34 11.452 6.129 3.172
233 HB2 HIS 34 HB2 HIS 34 9.063 5.992 4.634
234 HB3 HIS 34 HB1 HIS 34 9.956 7.339 5.333
235 HD1 HIS 34 HD1 HIS 34 7.373 7.097 3.188
236 HD2 HIS 34 HD2 HIS 34 11.173 8.690 2.652
237 HE1 HIS 34 HE1 HIS 34 7.160 8.713 1.274
238 HE2 HIS 34 HE2 HIS 34 9.480 9.638 0.942
239 H SER 35 HN SER 35 12.789 7.853 3.709
240 HA SER 35 HA SER 35 14.464 8.948 4.788
241 HB2 SER 35 HB2 SER 35 12.697 9.371 6.488
242 HB3 SER 35 HB1 SER 35 13.178 7.890 7.318
243 HG SER 35 HG SER 35 15.199 8.811 7.699
244 H SER 36 HN SER 36 15.018 6.414 3.795
245 HA SER 36 HA SER 36 17.322 5.728 5.390
246 HB2 SER 36 HB2 SER 36 14.915 3.995 5.278
247 HB3 SER 36 HB1 SER 36 16.472 3.191 5.082
248 HG SER 36 HG SER 36 15.691 4.867 7.237
249 H GLY 37 HN GLY 37 17.857 6.780 3.193
250 HA2 GLY 37 HA2 GLY 37 18.259 4.597 1.243
251 HA3 GLY 37 HA1 GLY 37 17.808 6.218 0.732
252 H SER 38 HN SER 38 19.335 7.978 1.341
253 HA SER 38 HA SER 38 21.404 8.917 1.223
254 HB2 SER 38 HB2 SER 38 21.528 7.025 3.266
255 HB3 SER 38 HB1 SER 38 22.963 6.704 2.293
256 HG SER 38 HG SER 38 22.893 8.454 4.079
257 H SER 39 HN SER 39 20.629 7.858 -1.113
258 HA SER 39 HA SER 39 22.956 6.366 -2.124
259 HB2 SER 39 HB2 SER 39 21.316 6.091 -4.161
260 HB3 SER 39 HB1 SER 39 21.121 5.085 -2.726
261 HG SER 39 HG SER 39 19.294 6.050 -2.296
262 H SER 40 HN SER 40 21.065 9.281 -2.490
263 HA SER 40 HA SER 40 21.360 11.174 -3.723
264 HB2 SER 40 HB2 SER 40 23.557 12.038 -3.828
265 HB3 SER 40 HB1 SER 40 23.561 10.989 -2.411
266 HG SER 40 HG SER 40 24.736 10.590 -4.930
267 H TYR 41 HN TYR 41 20.249 10.717 -5.583
268 HA TYR 41 HA TYR 41 21.763 9.499 -7.791
269 HB2 TYR 41 HB2 TYR 41 18.787 9.791 -7.349
270 HB3 TYR 41 HB1 TYR 41 19.498 9.199 -8.846
271 HD1 TYR 41 HD1 TYR 41 21.324 7.243 -8.390
272 HD2 TYR 41 HD2 TYR 41 18.010 8.188 -5.896
273 HE1 TYR 41 HE1 TYR 41 21.377 4.965 -7.466
274 HE2 TYR 41 HE2 TYR 41 18.054 5.913 -4.965
275 HH TYR 41 HH TYR 41 19.533 3.395 -6.332
276 H HIS 42 HN HIS 42 19.353 12.062 -7.209
277 HA HIS 42 HA HIS 42 20.840 13.956 -8.755
278 HB2 HIS 42 HB2 HIS 42 19.056 14.331 -10.460
279 HB3 HIS 42 HB1 HIS 42 19.872 12.780 -10.624
280 HD1 HIS 42 HD1 HIS 42 17.494 12.411 -12.015
281 HD2 HIS 42 HD2 HIS 42 17.348 12.430 -7.862
282 HE1 HIS 42 HE1 HIS 42 15.329 11.282 -11.414
283 HE2 HIS 42 HE2 HIS 42 15.300 11.236 -8.894
284 H CYS 43 HN CYS 43 19.802 13.806 -6.109
285 HA CYS 43 HA CYS 43 17.397 15.222 -5.769
286 HB2 CYS 43 HB2 CYS 43 19.652 14.390 -4.083
287 HB3 CYS 43 HB1 CYS 43 18.867 15.869 -3.541
288 H1 NAG 44 H1 NAG 44 -12.447 10.218 1.737
289 H2 NAG 44 H2 NAG 44 -14.256 10.460 2.069
290 H3 NAG 44 H3 NAG 44 -15.766 11.446 3.253
291 H4 NAG 44 H4 NAG 44 -14.294 13.477 3.591
292 H5 NAG 44 H5 NAG 44 -12.746 12.381 4.451
293 H61 NAG 44 H61 NAG 44 -10.652 13.122 4.303
294 H62 NAG 44 H62 NAG 44 -11.150 14.011 2.846
295 H81 NAG 44 H81 NAG 44 -16.386 6.923 2.157
296 H82 NAG 44 H82 NAG 44 -16.674 6.445 3.852
297 H83 NAG 44 H83 NAG 44 -17.744 7.640 3.067
298 HN2 NAG 44 HN2 NAG 44 -15.057 8.680 1.775
299 HO3 NAG 44 HO3 NAG 44 -15.269 12.069 5.348
300 HO4 NAG 44 HO4 NAG 44 -14.119 13.626 1.445
301 HO6 NAG 44 HO6 NAG 44 -11.554 14.856 5.216
302 H1 NAG 45 H1 NAG 45 15.568 14.938 -2.202
303 H2 NAG 45 H2 NAG 45 18.224 15.331 -0.752
304 H3 NAG 45 H3 NAG 45 15.358 15.959 0.089
305 H4 NAG 45 H4 NAG 45 17.700 17.817 -0.557
306 H5 NAG 45 H5 NAG 45 15.076 17.339 -2.048
307 H61 NAG 45 H61 NAG 45 15.732 19.643 -2.310
308 H62 NAG 45 H62 NAG 45 16.145 18.763 -3.797
309 H81 NAG 45 H81 NAG 45 16.699 11.818 1.541
310 H82 NAG 45 H82 NAG 45 17.398 11.001 0.116
311 H83 NAG 45 H83 NAG 45 18.431 11.387 1.519
312 HN2 NAG 45 HN2 NAG 45 15.991 13.472 -0.089
313 HO3 NAG 45 HO3 NAG 45 16.253 16.416 1.995
314 HO4 NAG 45 HO4 NAG 45 16.157 18.501 1.086
315 HO6 NAG 45 HO6 NAG 45 18.131 19.424 -3.474
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 -6.575 -17.027 -8.072
2 H2 LYS 1 HT2 LYS 1 -5.843 -17.258 -9.607
3 H3 LYS 1 HT3 LYS 1 -7.427 -16.606 -9.498
4 HA LYS 1 HA LYS 1 -4.867 -15.376 -8.768
5 HB2 LYS 1 HB2 LYS 1 -5.655 -15.236 -11.099
6 HB3 LYS 1 HB1 LYS 1 -7.178 -14.555 -10.543
7 HG2 LYS 1 HG2 LYS 1 -6.276 -12.549 -10.787
8 HG3 LYS 1 HG1 LYS 1 -5.214 -12.924 -9.429
9 HD2 LYS 1 HD2 LYS 1 -3.502 -13.716 -10.885
10 HD3 LYS 1 HD1 LYS 1 -4.583 -13.670 -12.279
11 HE2 LYS 1 HE2 LYS 1 -3.765 -11.239 -10.696
12 HE3 LYS 1 HE1 LYS 1 -2.947 -11.781 -12.161
13 HZ1 LYS 1 HZ1 LYS 1 -5.164 -10.144 -11.993
14 HZ2 LYS 1 HZ2 LYS 1 -5.739 -11.617 -12.595
15 HZ3 LYS 1 HZ3 LYS 1 -4.489 -10.808 -13.395
16 HA PRO 2 HA PRO 2 -7.463 -14.097 -5.208
17 HB2 PRO 2 HB2 PRO 2 -4.819 -12.982 -4.439
18 HB3 PRO 2 HB1 PRO 2 -5.945 -13.966 -3.497
19 HG2 PRO 2 HG2 PRO 2 -3.699 -15.019 -4.472
20 HG3 PRO 2 HG1 PRO 2 -5.208 -15.951 -4.440
21 HD2 PRO 2 HD2 PRO 2 -3.873 -14.578 -6.737
22 HD3 PRO 2 HD1 PRO 2 -4.728 -16.134 -6.695
23 H ALA 3 HN ALA 3 -8.374 -12.151 -4.742
24 HA ALA 3 HA ALA 3 -7.156 -9.680 -5.653
25 HB1 ALA 3 HB1 ALA 3 -8.531 -9.181 -7.358
26 HB2 ALA 3 HB2 ALA 3 -9.937 -9.891 -6.565
27 HB3 ALA 3 HB3 ALA 3 -8.795 -10.924 -7.425
28 H TRP 4 HN TRP 4 -7.145 -9.466 -3.309
29 HA TRP 4 HA TRP 4 -9.785 -8.808 -2.186
30 HB2 TRP 4 HB2 TRP 4 -7.509 -10.255 -1.141
31 HB3 TRP 4 HB1 TRP 4 -7.920 -8.904 -0.096
32 HD1 TRP 4 HD1 TRP 4 -9.380 -12.164 -1.466
33 HE1 TRP 4 HE1 TRP 4 -11.345 -12.881 0.037
34 HE3 TRP 4 HE3 TRP 4 -9.655 -8.030 1.520
35 HZ2 TRP 4 HZ2 TRP 4 -12.814 -11.827 2.206
36 HZ3 TRP 4 HZ3 TRP 4 -11.368 -7.960 3.287
37 HH2 TRP 4 HH2 TRP 4 -12.914 -9.820 3.621
38 H CYS 5 HN CYS 5 -6.408 -7.726 -2.342
39 HA CYS 5 HA CYS 5 -6.637 -5.366 -0.904
40 HB2 CYS 5 HB2 CYS 5 -4.827 -6.315 -3.079
41 HB3 CYS 5 HB1 CYS 5 -4.783 -4.608 -2.652
42 H TRP 6 HN TRP 6 -6.731 -5.637 -4.472
43 HA TRP 6 HA TRP 6 -7.449 -3.067 -5.070
44 HB2 TRP 6 HB2 TRP 6 -7.888 -3.792 -7.194
45 HB3 TRP 6 HB1 TRP 6 -6.988 -5.173 -6.585
46 HD1 TRP 6 HD1 TRP 6 -8.667 -7.231 -5.605
47 HE1 TRP 6 HE1 TRP 6 -10.829 -8.126 -6.697
48 HE3 TRP 6 HE3 TRP 6 -9.762 -3.232 -8.551
49 HZ2 TRP 6 HZ2 TRP 6 -12.752 -7.225 -8.575
50 HZ3 TRP 6 HZ3 TRP 6 -11.778 -3.309 -9.970
51 HH2 TRP 6 HH2 TRP 6 -13.240 -5.266 -9.978
52 H TYR 7 HN TYR 7 -9.550 -5.671 -3.996
53 HA TYR 7 HA TYR 7 -12.038 -4.543 -4.438
54 HB2 TYR 7 HB2 TYR 7 -11.559 -6.858 -3.562
55 HB3 TYR 7 HB1 TYR 7 -11.276 -6.135 -1.982
56 HD1 TYR 7 HD1 TYR 7 -13.902 -5.296 -4.485
57 HD2 TYR 7 HD2 TYR 7 -13.020 -6.958 -0.669
58 HE1 TYR 7 HE1 TYR 7 -16.307 -5.432 -3.996
59 HE2 TYR 7 HE2 TYR 7 -15.424 -7.101 -0.169
60 HH TYR 7 HH TYR 7 -17.603 -7.270 -1.632
61 H THR 8 HN THR 8 -9.998 -4.253 -1.534
62 HA THR 8 HA THR 8 -11.642 -2.515 -0.098
63 HB THR 8 HB THR 8 -8.665 -2.987 -0.087
64 HG1 THR 8 HG1 THR 8 -10.861 -3.802 1.450
65 HG21 THR 8 HG21 THR 8 -10.076 -1.407 2.038
66 HG22 THR 8 HG22 THR 8 -9.191 -0.643 0.718
67 HG23 THR 8 HG23 THR 8 -8.347 -1.696 1.852
68 H LEU 9 HN LEU 9 -9.505 -1.943 -2.776
69 HA LEU 9 HA LEU 9 -9.397 0.909 -2.426
70 HB2 LEU 9 HB2 LEU 9 -7.524 0.220 -3.534
71 HB3 LEU 9 HB1 LEU 9 -8.351 -1.087 -4.350
72 HG LEU 9 HG LEU 9 -9.190 0.374 -6.032
73 HD11 LEU 9 HD11 LEU 9 -7.944 2.859 -5.317
74 HD12 LEU 9 HD12 LEU 9 -9.041 2.333 -4.041
75 HD13 LEU 9 HD13 LEU 9 -9.633 2.521 -5.692
76 HD21 LEU 9 HD21 LEU 9 -7.173 0.006 -6.922
77 HD22 LEU 9 HD22 LEU 9 -6.344 0.320 -5.397
78 HD23 LEU 9 HD23 LEU 9 -6.804 1.663 -6.443
79 H ALA 10 HN ALA 10 -10.903 -1.231 -4.851
80 HA ALA 10 HA ALA 10 -12.272 0.582 -6.358
81 HB1 ALA 10 HB1 ALA 10 -13.074 -1.259 -7.302
82 HB2 ALA 10 HB2 ALA 10 -14.005 -1.652 -5.857
83 HB3 ALA 10 HB3 ALA 10 -12.334 -2.196 -6.004
84 H MET 11 HN MET 11 -13.050 -0.472 -3.114
85 HA MET 11 HA MET 11 -15.655 0.781 -3.131
86 HB2 MET 11 HB2 MET 11 -14.094 -0.324 -0.791
87 HB3 MET 11 HB1 MET 11 -15.806 0.071 -0.814
88 HG2 MET 11 HG2 MET 11 -15.593 -1.693 -2.892
89 HG3 MET 11 HG1 MET 11 -14.422 -2.323 -1.732
90 HE1 MET 11 HE1 MET 11 -18.745 -1.925 -1.894
91 HE2 MET 11 HE2 MET 11 -18.264 -3.588 -2.232
92 HE3 MET 11 HE3 MET 11 -17.515 -2.257 -3.113
93 H CYS 12 HN CYS 12 -12.407 1.603 -2.234
94 HA CYS 12 HA CYS 12 -12.820 3.648 -0.405
95 HB2 CYS 12 HB2 CYS 12 -10.600 2.779 -0.947
96 HB3 CYS 12 HB1 CYS 12 -10.709 3.467 -2.564
97 H GLY 13 HN GLY 13 -12.815 5.955 -0.658
98 HA2 GLY 13 HA2 GLY 13 -12.912 7.577 -2.764
99 HA3 GLY 13 HA1 GLY 13 -14.477 6.788 -2.901
100 H ALA 14 HN ALA 14 -12.449 8.611 -0.632
101 HA ALA 14 HA ALA 14 -14.751 10.182 0.159
102 HB1 ALA 14 HB1 ALA 14 -13.517 9.442 2.608
103 HB2 ALA 14 HB2 ALA 14 -13.926 7.968 1.729
104 HB3 ALA 14 HB3 ALA 14 -15.176 9.160 2.082
105 H GLY 15 HN GLY 15 -12.435 10.892 -1.252
106 HA2 GLY 15 HA2 GLY 15 -10.755 12.457 -1.282
107 HA3 GLY 15 HA1 GLY 15 -11.641 13.219 0.029
108 H TYR 16 HN TYR 16 -9.609 13.886 0.904
109 HA TYR 16 HA TYR 16 -7.455 12.307 1.558
110 HB2 TYR 16 HB2 TYR 16 -6.955 13.934 3.324
111 HB3 TYR 16 HB1 TYR 16 -7.484 14.743 1.853
112 HD1 TYR 16 HD2 TYR 16 -8.873 13.440 5.068
113 HD2 TYR 16 HD1 TYR 16 -9.085 16.405 2.024
114 HE1 TYR 16 HE2 TYR 16 -10.600 14.626 6.353
115 HE2 TYR 16 HE1 TYR 16 -10.813 17.599 3.301
116 HH TYR 16 HH TYR 16 -12.631 16.736 5.192
117 H ASP 17 HN ASP 17 -6.879 10.974 3.236
118 HA ASP 17 HA ASP 17 -7.218 9.331 4.782
119 HB2 ASP 17 HB2 ASP 17 -8.812 11.602 5.978
120 HB3 ASP 17 HB1 ASP 17 -8.498 10.093 6.832
121 H SER 18 HN SER 18 -8.789 8.967 2.578
122 HA SER 18 HA SER 18 -11.510 8.746 2.823
123 HB2 SER 18 HB2 SER 18 -9.525 6.958 1.416
124 HB3 SER 18 HB1 SER 18 -11.268 6.738 1.268
125 H GLY 19 HN GLY 19 -9.053 6.799 4.336
126 HA2 GLY 19 HA2 GLY 19 -9.437 5.522 6.291
127 HA3 GLY 19 HA1 GLY 19 -11.141 5.432 5.868
128 H THR 20 HN THR 20 -10.774 4.605 3.162
129 HA THR 20 HA THR 20 -10.168 1.797 3.645
130 HB THR 20 HB THR 20 -11.121 2.809 1.000
131 HG1 THR 20 HG1 THR 20 -12.991 3.418 1.735
132 HG21 THR 20 HG21 THR 20 -10.766 0.392 1.391
133 HG22 THR 20 HG22 THR 20 -12.424 0.808 0.957
134 HG23 THR 20 HG23 THR 20 -12.015 0.450 2.635
135 H CYS 21 HN CYS 21 -9.176 4.451 1.525
136 HA CYS 21 HA CYS 21 -7.286 2.969 0.028
137 HB2 CYS 21 HB2 CYS 21 -7.718 5.903 0.524
138 HB3 CYS 21 HB1 CYS 21 -6.318 5.341 -0.384
139 H ASP 22 HN ASP 22 -6.909 5.186 2.785
140 HA ASP 22 HA ASP 22 -4.156 4.978 3.094
141 HB2 ASP 22 HB2 ASP 22 -5.603 6.606 4.291
142 HB3 ASP 22 HB1 ASP 22 -6.205 5.295 5.300
143 H TYR 23 HN TYR 23 -6.742 2.939 4.391
144 HA TYR 23 HA TYR 23 -5.078 1.290 5.974
145 HB2 TYR 23 HB2 TYR 23 -7.789 1.557 5.624
146 HB3 TYR 23 HB1 TYR 23 -7.471 0.003 4.861
147 HD1 TYR 23 HD1 TYR 23 -7.325 1.887 8.017
148 HD2 TYR 23 HD2 TYR 23 -6.833 -1.911 6.166
149 HE1 TYR 23 HE1 TYR 23 -7.288 0.819 10.232
150 HE2 TYR 23 HE2 TYR 23 -6.796 -2.991 8.375
151 HH TYR 23 HH TYR 23 -6.522 -1.204 11.288
152 H MET 24 HN MET 24 -6.575 0.692 2.785
153 HA MET 24 HA MET 24 -5.502 -1.742 2.173
154 HB2 MET 24 HB2 MET 24 -6.824 0.292 0.793
155 HB3 MET 24 HB1 MET 24 -5.341 0.033 -0.115
156 HG2 MET 24 HG2 MET 24 -6.752 -2.414 0.668
157 HG3 MET 24 HG1 MET 24 -7.617 -1.364 -0.454
158 HE1 MET 24 HE1 MET 24 -6.112 -0.030 -2.077
159 HE2 MET 24 HE2 MET 24 -5.600 -1.013 -3.449
160 HE3 MET 24 HE3 MET 24 -4.408 -0.434 -2.285
161 H TYR 25 HN TYR 25 -4.074 1.323 1.082
162 HA TYR 25 HA TYR 25 -1.709 0.397 0.080
163 HB2 TYR 25 HB2 TYR 25 -2.749 2.818 0.310
164 HB3 TYR 25 HB1 TYR 25 -1.658 2.913 1.684
165 HD1 TYR 25 HD1 TYR 25 0.587 1.235 0.513
166 HD2 TYR 25 HD2 TYR 25 -1.730 4.409 -1.118
167 HE1 TYR 25 HE1 TYR 25 2.442 1.805 -0.997
168 HE2 TYR 25 HE2 TYR 25 0.118 4.986 -2.634
169 HH TYR 25 HH TYR 25 3.255 3.434 -2.383
170 H SER 26 HN SER 26 -1.964 1.814 3.346
171 HA SER 26 HA SER 26 0.519 1.124 4.283
172 HB2 SER 26 HB2 SER 26 -1.698 2.310 5.371
173 HB3 SER 26 HB1 SER 26 -1.590 0.820 6.307
174 HG SER 26 HG SER 26 0.712 2.372 5.882
175 H HIS 27 HN HIS 27 -2.338 -0.915 4.073
176 HA HIS 27 HA HIS 27 -1.112 -3.063 5.560
177 HB2 HIS 27 HB2 HIS 27 -3.593 -2.552 5.534
178 HB3 HIS 27 HB1 HIS 27 -3.625 -3.207 3.900
179 HD1 HIS 27 HD1 HIS 27 -2.683 -5.793 3.765
180 HD2 HIS 27 HD2 HIS 27 -4.004 -4.412 7.455
181 HE1 HIS 27 HE1 HIS 27 -3.120 -7.855 5.137
182 HE2 HIS 27 HE2 HIS 27 -3.979 -6.997 7.345
183 H CYS 28 HN CYS 28 -2.517 -3.028 2.293
184 HA CYS 28 HA CYS 28 -1.430 -5.321 1.302
185 HB2 CYS 28 HB2 CYS 28 -2.985 -3.470 0.238
186 HB3 CYS 28 HB1 CYS 28 -1.475 -2.929 -0.483
187 H PHE 29 HN PHE 29 0.113 -2.127 1.373
188 HA PHE 29 HA PHE 29 2.543 -3.183 0.197
189 HB2 PHE 29 HB2 PHE 29 1.822 -0.426 1.201
190 HB3 PHE 29 HB1 PHE 29 3.374 -0.837 0.479
191 HD1 PHE 29 HD1 PHE 29 -0.272 -1.081 -0.264
192 HD2 PHE 29 HD2 PHE 29 3.661 -0.470 -1.769
193 HE1 PHE 29 HE1 PHE 29 -1.201 -0.639 -2.499
194 HE2 PHE 29 HE2 PHE 29 2.740 -0.027 -4.007
195 HZ PHE 29 HZ PHE 29 0.309 -0.105 -4.374
196 H GLY 30 HN GLY 30 1.267 -2.447 3.321
197 HA2 GLY 30 HA2 GLY 30 2.107 -3.202 5.365
198 HA3 GLY 30 HA1 GLY 30 3.612 -3.622 4.563
199 H ILE 31 HN ILE 31 3.546 -2.369 7.045
200 HA ILE 31 HA ILE 31 4.114 0.453 6.573
201 HB ILE 31 HB ILE 31 4.199 -1.083 9.171
202 HG12 ILE 31 HG12 ILE 31 2.005 0.712 8.119
203 HG13 ILE 31 HG11 ILE 31 1.950 -1.047 8.066
204 HG21 ILE 31 HG21 ILE 31 3.768 1.847 9.034
205 HG22 ILE 31 HG22 ILE 31 5.399 1.241 8.740
206 HG23 ILE 31 HG23 ILE 31 4.583 0.876 10.260
207 HD11 ILE 31 HD11 ILE 31 2.233 -0.988 10.579
208 HD12 ILE 31 HD12 ILE 31 0.691 -0.417 9.940
209 HD13 ILE 31 HD13 ILE 31 1.909 0.742 10.470
210 H LYS 32 HN LYS 32 5.981 -0.426 5.181
211 HA LYS 32 HA LYS 32 8.208 -0.783 4.847
212 HB2 LYS 32 HB2 LYS 32 8.038 1.483 6.093
213 HB3 LYS 32 HB1 LYS 32 8.684 0.602 7.471
214 HG2 LYS 32 HG2 LYS 32 10.749 0.653 6.653
215 HG3 LYS 32 HG1 LYS 32 10.214 0.128 5.055
216 HD2 LYS 32 HD2 LYS 32 9.676 2.361 4.418
217 HD3 LYS 32 HD1 LYS 32 9.900 2.948 6.067
218 HE2 LYS 32 HE2 LYS 32 11.938 3.535 5.306
219 HE3 LYS 32 HE1 LYS 32 12.318 1.841 5.611
220 HZ1 LYS 32 HZ1 LYS 32 13.059 2.316 3.443
221 HZ2 LYS 32 HZ2 LYS 32 11.624 3.108 3.025
222 HZ3 LYS 32 HZ3 LYS 32 11.631 1.430 3.245
223 H HIS 33 HN HIS 33 8.249 -3.026 5.079
224 HA HIS 33 HA HIS 33 8.989 -4.066 7.722
225 HB2 HIS 33 HB2 HIS 33 8.416 -6.278 6.818
226 HB3 HIS 33 HB1 HIS 33 7.070 -5.154 6.659
227 HD1 HIS 33 HD1 HIS 33 6.196 -4.712 4.335
228 HD2 HIS 33 HD2 HIS 33 9.745 -6.874 4.340
229 HE1 HIS 33 HE1 HIS 33 6.528 -5.466 1.960
230 HE2 HIS 33 HE2 HIS 33 8.738 -6.674 1.967
231 H HIS 34 HN HIS 34 10.858 -2.612 6.049
232 HA HIS 34 HA HIS 34 13.107 -4.260 6.302
233 HB2 HIS 34 HB2 HIS 34 13.627 -4.415 3.794
234 HB3 HIS 34 HB1 HIS 34 12.447 -5.547 4.446
235 HD1 HIS 34 HD1 HIS 34 11.870 -1.959 3.335
236 HD2 HIS 34 HD2 HIS 34 10.723 -5.833 2.366
237 HE1 HIS 34 HE1 HIS 34 10.109 -1.713 1.558
238 HE2 HIS 34 HE2 HIS 34 9.439 -4.071 0.973
239 H SER 35 HN SER 35 12.885 -1.847 7.229
240 HA SER 35 HA SER 35 13.540 0.290 5.503
241 HB2 SER 35 HB2 SER 35 12.598 0.507 7.831
242 HB3 SER 35 HB1 SER 35 14.198 0.092 8.449
243 HG SER 35 HG SER 35 14.316 2.232 8.357
244 H SER 36 HN SER 36 15.234 -0.366 4.166
245 HA SER 36 HA SER 36 17.396 -0.611 3.502
246 HB2 SER 36 HB2 SER 36 17.689 1.548 4.629
247 HB3 SER 36 HB1 SER 36 17.974 0.721 6.160
248 HG SER 36 HG SER 36 19.787 1.396 4.477
249 H GLY 37 HN GLY 37 19.690 -1.411 4.451
250 HA2 GLY 37 HA2 GLY 37 20.174 -3.033 6.497
251 HA3 GLY 37 HA1 GLY 37 19.090 -4.044 5.553
252 H SER 38 HN SER 38 19.861 -5.133 3.817
253 HA SER 38 HA SER 38 22.270 -4.421 2.467
254 HB2 SER 38 HB2 SER 38 23.327 -5.336 4.452
255 HB3 SER 38 HB1 SER 38 22.346 -6.797 4.342
256 HG SER 38 HG SER 38 24.173 -7.388 3.361
257 H SER 39 HN SER 39 21.028 -4.641 0.621
258 HA SER 39 HA SER 39 20.886 -7.256 -0.490
259 HB2 SER 39 HB2 SER 39 18.878 -7.556 0.741
260 HB3 SER 39 HB1 SER 39 18.320 -5.924 0.373
261 HG SER 39 HG SER 39 17.281 -7.512 -0.913
262 H SER 40 HN SER 40 21.881 -6.594 -2.311
263 HA SER 40 HA SER 40 21.642 -4.162 -3.602
264 HB2 SER 40 HB2 SER 40 22.169 -5.772 -5.704
265 HB3 SER 40 HB1 SER 40 23.386 -5.317 -4.512
266 HG SER 40 HG SER 40 22.940 -7.685 -5.088
267 H TYR 41 HN TYR 41 19.517 -6.909 -3.657
268 HA TYR 41 HA TYR 41 18.007 -5.927 -5.930
269 HB2 TYR 41 HB2 TYR 41 17.754 -8.329 -4.132
270 HB3 TYR 41 HB1 TYR 41 16.489 -7.901 -5.279
271 HD1 TYR 41 HD2 TYR 41 16.919 -8.011 -7.701
272 HD2 TYR 41 HD1 TYR 41 19.835 -9.273 -4.871
273 HE1 TYR 41 HE2 TYR 41 18.129 -9.196 -9.484
274 HE2 TYR 41 HE1 TYR 41 21.053 -10.461 -6.646
275 HH TYR 41 HH TYR 41 20.255 -10.081 -9.993
276 H HIS 42 HN HIS 42 16.004 -4.997 -5.867
277 HA HIS 42 HA HIS 42 15.246 -3.783 -3.348
278 HB2 HIS 42 HB2 HIS 42 14.254 -3.458 -6.178
279 HB3 HIS 42 HB1 HIS 42 13.498 -2.649 -4.810
280 HD1 HIS 42 HD1 HIS 42 14.800 -0.706 -3.713
281 HD2 HIS 42 HD2 HIS 42 16.741 -2.432 -6.958
282 HE1 HIS 42 HE1 HIS 42 16.665 0.875 -4.300
283 HE2 HIS 42 HE2 HIS 42 17.873 -0.227 -6.217
284 H CYS 43 HN CYS 43 13.861 -6.010 -5.717
285 HA CYS 43 HA CYS 43 12.182 -7.539 -5.575
286 HB2 CYS 43 HB2 CYS 43 12.956 -7.196 -2.707
287 HB3 CYS 43 HB1 CYS 43 11.511 -8.125 -3.095
288 H1 NAG 44 H1 NAG 44 -9.130 7.509 -0.813
289 H2 NAG 44 H2 NAG 44 -10.501 10.097 -1.407
290 H3 NAG 44 H3 NAG 44 -8.669 10.461 -3.230
291 H4 NAG 44 H4 NAG 44 -6.398 9.859 -2.535
292 H5 NAG 44 H5 NAG 44 -6.595 7.884 -0.616
293 H61 NAG 44 H61 NAG 44 -5.874 9.727 1.025
294 H62 NAG 44 H62 NAG 44 -6.047 10.861 -0.333
295 H81 NAG 44 H81 NAG 44 -12.143 7.695 -4.671
296 H82 NAG 44 H82 NAG 44 -11.284 8.636 -5.923
297 H83 NAG 44 H83 NAG 44 -10.462 7.278 -5.105
298 HN2 NAG 44 HN2 NAG 44 -10.250 7.555 -2.643
299 HO3 NAG 44 HO3 NAG 44 -7.452 11.683 -1.556
300 HO4 NAG 44 HO4 NAG 44 -7.599 8.322 -3.784
301 HO6 NAG 44 HO6 NAG 44 -4.079 10.230 -0.830
302 H1 NAG 45 H1 NAG 45 11.328 -10.020 -4.445
303 H2 NAG 45 H2 NAG 45 13.638 -11.713 -5.501
304 H3 NAG 45 H3 NAG 45 10.639 -11.828 -6.063
305 H4 NAG 45 H4 NAG 45 12.467 -13.793 -4.596
306 H5 NAG 45 H5 NAG 45 10.214 -12.016 -3.548
307 H61 NAG 45 H61 NAG 45 10.137 -13.839 -2.120
308 H62 NAG 45 H62 NAG 45 11.338 -12.801 -1.321
309 H81 NAG 45 H81 NAG 45 12.767 -8.857 -8.803
310 H82 NAG 45 H82 NAG 45 14.366 -8.239 -8.304
311 H83 NAG 45 H83 NAG 45 14.254 -9.588 -9.467
312 HN2 NAG 45 HN2 NAG 45 11.908 -9.786 -6.975
313 HO3 NAG 45 HO3 NAG 45 11.392 -13.784 -7.172
314 HO4 NAG 45 HO4 NAG 45 10.868 -15.022 -5.353
315 HO6 NAG 45 HO6 NAG 45 12.513 -14.587 -1.447
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 -8.816 -17.099 -4.348
2 H2 LYS 1 HT2 LYS 1 -7.400 -18.067 -4.414
3 H3 LYS 1 HT3 LYS 1 -7.765 -16.989 -5.698
4 HA LYS 1 HA LYS 1 -6.803 -16.423 -2.998
5 HB2 LYS 1 HB2 LYS 1 -5.205 -16.726 -4.831
6 HB3 LYS 1 HB1 LYS 1 -6.051 -15.517 -5.786
7 HG2 LYS 1 HG2 LYS 1 -5.372 -14.368 -3.273
8 HG3 LYS 1 HG1 LYS 1 -3.939 -15.143 -3.952
9 HD2 LYS 1 HD2 LYS 1 -4.586 -13.945 -6.136
10 HD3 LYS 1 HD1 LYS 1 -5.627 -12.952 -5.117
11 HE2 LYS 1 HE2 LYS 1 -2.635 -13.234 -5.006
12 HE3 LYS 1 HE1 LYS 1 -3.581 -11.781 -5.327
13 HZ1 LYS 1 HZ1 LYS 1 -3.147 -11.417 -3.159
14 HZ2 LYS 1 HZ2 LYS 1 -2.935 -13.054 -2.792
15 HZ3 LYS 1 HZ3 LYS 1 -4.494 -12.412 -2.923
16 HA PRO 2 HA PRO 2 -10.396 -13.518 -3.105
17 HB2 PRO 2 HB2 PRO 2 -9.013 -13.005 -0.500
18 HB3 PRO 2 HB1 PRO 2 -10.743 -13.108 -0.852
19 HG2 PRO 2 HG2 PRO 2 -9.464 -15.145 0.293
20 HG3 PRO 2 HG1 PRO 2 -10.728 -15.424 -0.919
21 HD2 PRO 2 HD2 PRO 2 -7.782 -15.712 -1.157
22 HD3 PRO 2 HD1 PRO 2 -9.076 -16.574 -2.012
23 H ALA 3 HN ALA 3 -10.493 -11.207 -3.049
24 HA ALA 3 HA ALA 3 -7.880 -9.881 -3.359
25 HB1 ALA 3 HB1 ALA 3 -10.092 -10.070 -5.226
26 HB2 ALA 3 HB2 ALA 3 -8.433 -9.534 -5.490
27 HB3 ALA 3 HB3 ALA 3 -9.642 -8.398 -4.890
28 H TRP 4 HN TRP 4 -7.976 -9.181 -1.187
29 HA TRP 4 HA TRP 4 -10.192 -7.512 -0.350
30 HB2 TRP 4 HB2 TRP 4 -7.885 -7.435 1.419
31 HB3 TRP 4 HB1 TRP 4 -9.534 -7.934 1.754
32 HD1 TRP 4 HD1 TRP 4 -9.994 -10.495 1.965
33 HE1 TRP 4 HE1 TRP 4 -8.508 -12.594 1.845
34 HE3 TRP 4 HE3 TRP 4 -5.734 -8.359 0.136
35 HZ2 TRP 4 HZ2 TRP 4 -5.872 -13.253 1.075
36 HZ3 TRP 4 HZ3 TRP 4 -3.770 -9.791 -0.265
37 HH2 TRP 4 HH2 TRP 4 -3.841 -12.188 0.196
38 H CYS 5 HN CYS 5 -6.841 -7.164 -1.332
39 HA CYS 5 HA CYS 5 -6.581 -4.419 -0.675
40 HB2 CYS 5 HB2 CYS 5 -5.094 -6.134 -2.674
41 HB3 CYS 5 HB1 CYS 5 -4.633 -4.489 -2.249
42 H TRP 6 HN TRP 6 -7.238 -6.074 -3.756
43 HA TRP 6 HA TRP 6 -7.572 -3.739 -5.287
44 HB2 TRP 6 HB2 TRP 6 -7.815 -6.574 -5.681
45 HB3 TRP 6 HB1 TRP 6 -9.207 -5.765 -6.395
46 HD1 TRP 6 HD1 TRP 6 -5.860 -6.827 -7.296
47 HE1 TRP 6 HE1 TRP 6 -4.989 -5.566 -9.362
48 HE3 TRP 6 HE3 TRP 6 -9.275 -3.024 -7.425
49 HZ2 TRP 6 HZ2 TRP 6 -5.661 -3.263 -10.852
50 HZ3 TRP 6 HZ3 TRP 6 -9.091 -1.333 -9.203
51 HH2 TRP 6 HH2 TRP 6 -7.320 -1.452 -10.880
52 H TYR 7 HN TYR 7 -9.726 -5.492 -3.182
53 HA TYR 7 HA TYR 7 -12.157 -4.382 -4.128
54 HB2 TYR 7 HB2 TYR 7 -12.237 -6.387 -2.804
55 HB3 TYR 7 HB1 TYR 7 -11.396 -5.604 -1.470
56 HD1 TYR 7 HD1 TYR 7 -12.586 -3.635 -0.331
57 HD2 TYR 7 HD2 TYR 7 -14.573 -6.413 -2.865
58 HE1 TYR 7 HE1 TYR 7 -14.743 -2.993 0.666
59 HE2 TYR 7 HE2 TYR 7 -16.734 -5.780 -1.878
60 HH TYR 7 HH TYR 7 -17.041 -3.076 0.295
61 H THR 8 HN THR 8 -9.939 -3.490 -1.510
62 HA THR 8 HA THR 8 -11.431 -1.340 -0.497
63 HB THR 8 HB THR 8 -8.474 -1.955 -0.458
64 HG1 THR 8 HG1 THR 8 -9.842 -3.293 0.775
65 HG21 THR 8 HG21 THR 8 -9.224 -0.190 1.650
66 HG22 THR 8 HG22 THR 8 -9.579 0.569 0.100
67 HG23 THR 8 HG23 THR 8 -7.949 -0.011 0.445
68 H LEU 9 HN LEU 9 -8.928 -1.478 -3.008
69 HA LEU 9 HA LEU 9 -8.954 1.332 -3.504
70 HB2 LEU 9 HB2 LEU 9 -7.794 -1.058 -4.879
71 HB3 LEU 9 HB1 LEU 9 -7.825 0.487 -5.707
72 HG LEU 9 HG LEU 9 -6.466 1.500 -3.985
73 HD11 LEU 9 HD11 LEU 9 -6.741 -1.158 -2.609
74 HD12 LEU 9 HD12 LEU 9 -7.223 0.430 -2.011
75 HD13 LEU 9 HD13 LEU 9 -5.513 0.033 -2.182
76 HD21 LEU 9 HD21 LEU 9 -4.449 0.537 -4.565
77 HD22 LEU 9 HD22 LEU 9 -5.505 -0.019 -5.862
78 HD23 LEU 9 HD23 LEU 9 -5.100 -1.100 -4.530
79 H ALA 10 HN ALA 10 -10.580 -1.458 -4.899
80 HA ALA 10 HA ALA 10 -11.670 -0.130 -7.149
81 HB1 ALA 10 HB1 ALA 10 -11.769 -2.384 -7.452
82 HB2 ALA 10 HB2 ALA 10 -13.406 -2.113 -6.854
83 HB3 ALA 10 HB3 ALA 10 -12.155 -2.708 -5.762
84 H MET 11 HN MET 11 -12.612 -0.306 -3.808
85 HA MET 11 HA MET 11 -15.090 1.155 -4.449
86 HB2 MET 11 HB2 MET 11 -14.437 -0.801 -2.268
87 HB3 MET 11 HB1 MET 11 -15.723 0.378 -2.049
88 HG2 MET 11 HG2 MET 11 -15.893 -1.049 -4.583
89 HG3 MET 11 HG1 MET 11 -15.997 -2.103 -3.171
90 HE1 MET 11 HE1 MET 11 -18.960 -0.477 -5.406
91 HE2 MET 11 HE2 MET 11 -17.305 0.126 -5.503
92 HE3 MET 11 HE3 MET 11 -18.565 1.119 -4.767
93 H CYS 12 HN CYS 12 -12.608 2.474 -4.296
94 HA CYS 12 HA CYS 12 -12.754 3.867 -1.713
95 HB2 CYS 12 HB2 CYS 12 -10.555 3.102 -3.468
96 HB3 CYS 12 HB1 CYS 12 -10.489 4.800 -3.011
97 H GLY 13 HN GLY 13 -11.400 5.108 -4.729
98 HA2 GLY 13 HA2 GLY 13 -11.754 7.120 -5.790
99 HA3 GLY 13 HA1 GLY 13 -13.445 6.651 -5.700
100 H ALA 14 HN ALA 14 -11.476 7.289 -2.872
101 HA ALA 14 HA ALA 14 -13.223 9.568 -2.260
102 HB1 ALA 14 HB1 ALA 14 -12.159 7.408 -0.699
103 HB2 ALA 14 HB2 ALA 14 -13.383 8.601 -0.268
104 HB3 ALA 14 HB3 ALA 14 -11.675 8.954 -0.004
105 H GLY 15 HN GLY 15 -12.070 11.245 -0.783
106 HA2 GLY 15 HA2 GLY 15 -9.734 12.166 -2.283
107 HA3 GLY 15 HA1 GLY 15 -10.723 13.137 -1.202
108 H TYR 16 HN TYR 16 -9.022 13.944 -0.002
109 HA TYR 16 HA TYR 16 -6.822 12.637 0.990
110 HB2 TYR 16 HB2 TYR 16 -6.776 14.326 2.778
111 HB3 TYR 16 HB1 TYR 16 -7.147 15.050 1.218
112 HD1 TYR 16 HD2 TYR 16 -8.507 14.138 4.507
113 HD2 TYR 16 HD1 TYR 16 -9.297 16.051 0.791
114 HE1 TYR 16 HE2 TYR 16 -10.529 15.155 5.469
115 HE2 TYR 16 HE1 TYR 16 -11.321 17.075 1.741
116 HH TYR 16 HH TYR 16 -12.011 17.003 5.108
117 H ASP 17 HN ASP 17 -6.447 11.102 2.457
118 HA ASP 17 HA ASP 17 -6.821 9.458 3.986
119 HB2 ASP 17 HB2 ASP 17 -7.027 11.584 5.393
120 HB3 ASP 17 HB1 ASP 17 -8.770 11.351 5.298
121 H SER 18 HN SER 18 -8.021 8.583 1.975
122 HA SER 18 HA SER 18 -10.753 8.515 1.689
123 HB2 SER 18 HB2 SER 18 -8.640 6.442 1.134
124 HB3 SER 18 HB1 SER 18 -10.338 6.144 0.766
125 H GLY 19 HN GLY 19 -8.770 6.846 4.033
126 HA2 GLY 19 HA2 GLY 19 -9.635 6.142 6.133
127 HA3 GLY 19 HA1 GLY 19 -11.220 5.980 5.394
128 H THR 20 HN THR 20 -10.789 4.399 3.257
129 HA THR 20 HA THR 20 -10.187 1.853 4.524
130 HB THR 20 HB THR 20 -11.017 2.000 1.672
131 HG1 THR 20 HG1 THR 20 -13.109 2.514 2.203
132 HG21 THR 20 HG21 THR 20 -11.166 -0.168 2.256
133 HG22 THR 20 HG22 THR 20 -12.753 0.341 2.827
134 HG23 THR 20 HG23 THR 20 -11.413 0.190 3.964
135 H CYS 21 HN CYS 21 -9.219 3.621 1.589
136 HA CYS 21 HA CYS 21 -7.252 1.799 0.751
137 HB2 CYS 21 HB2 CYS 21 -7.824 4.679 0.183
138 HB3 CYS 21 HB1 CYS 21 -6.309 3.979 -0.377
139 H ASP 22 HN ASP 22 -6.876 4.881 2.502
140 HA ASP 22 HA ASP 22 -4.160 4.868 2.874
141 HB2 ASP 22 HB2 ASP 22 -6.291 6.360 3.840
142 HB3 ASP 22 HB1 ASP 22 -5.547 5.706 5.296
143 H TYR 23 HN TYR 23 -6.510 2.803 4.364
144 HA TYR 23 HA TYR 23 -4.584 1.874 6.355
145 HB2 TYR 23 HB2 TYR 23 -7.209 2.304 6.631
146 HB3 TYR 23 HB1 TYR 23 -7.269 0.621 6.116
147 HD1 TYR 23 HD1 TYR 23 -5.027 2.573 8.392
148 HD2 TYR 23 HD2 TYR 23 -7.578 -0.796 7.899
149 HE1 TYR 23 HE1 TYR 23 -4.518 1.858 10.689
150 HE2 TYR 23 HE2 TYR 23 -7.077 -1.520 10.194
151 HH TYR 23 HH TYR 23 -6.292 -0.277 12.386
152 H MET 24 HN MET 24 -6.775 0.363 3.970
153 HA MET 24 HA MET 24 -5.516 -2.156 4.050
154 HB2 MET 24 HB2 MET 24 -7.677 -0.896 2.617
155 HB3 MET 24 HB1 MET 24 -6.716 -1.883 1.527
156 HG2 MET 24 HG2 MET 24 -7.392 -3.142 4.092
157 HG3 MET 24 HG1 MET 24 -8.756 -2.812 3.025
158 HE1 MET 24 HE1 MET 24 -7.379 -5.412 4.286
159 HE2 MET 24 HE2 MET 24 -7.162 -6.635 3.035
160 HE3 MET 24 HE3 MET 24 -8.749 -5.910 3.293
161 H TYR 25 HN TYR 25 -5.191 0.577 1.814
162 HA TYR 25 HA TYR 25 -3.427 -0.595 -0.005
163 HB2 TYR 25 HB2 TYR 25 -4.658 1.707 -0.043
164 HB3 TYR 25 HB1 TYR 25 -3.206 2.302 0.749
165 HD1 TYR 25 HD2 TYR 25 -1.021 1.004 -0.561
166 HD2 TYR 25 HD1 TYR 25 -4.678 2.376 -2.243
167 HE1 TYR 25 HE2 TYR 25 0.077 1.227 -2.748
168 HE2 TYR 25 HE1 TYR 25 -3.590 2.605 -4.437
169 HH TYR 25 HH TYR 25 -0.704 2.935 -5.033
170 H SER 26 HN SER 26 -2.581 1.671 2.609
171 HA SER 26 HA SER 26 0.169 1.386 2.476
172 HB2 SER 26 HB2 SER 26 -1.546 2.837 4.029
173 HB3 SER 26 HB1 SER 26 -0.892 1.700 5.207
174 HG SER 26 HG SER 26 0.727 3.041 5.250
175 H HIS 27 HN HIS 27 -2.203 -0.693 3.992
176 HA HIS 27 HA HIS 27 -0.236 -2.238 5.425
177 HB2 HIS 27 HB2 HIS 27 -2.659 -1.883 6.137
178 HB3 HIS 27 HB1 HIS 27 -3.093 -3.042 4.885
179 HD1 HIS 27 HD1 HIS 27 -1.381 -2.797 8.211
180 HD2 HIS 27 HD2 HIS 27 -2.545 -5.707 5.484
181 HE1 HIS 27 HE1 HIS 27 -1.102 -4.991 9.409
182 HE2 HIS 27 HE2 HIS 27 -1.710 -6.741 7.702
183 H CYS 28 HN CYS 28 -1.857 -2.398 2.341
184 HA CYS 28 HA CYS 28 -1.208 -5.133 1.808
185 HB2 CYS 28 HB2 CYS 28 -3.069 -3.736 0.730
186 HB3 CYS 28 HB1 CYS 28 -1.805 -3.045 -0.282
187 H PHE 29 HN PHE 29 0.359 -2.052 1.277
188 HA PHE 29 HA PHE 29 2.600 -3.461 -0.019
189 HB2 PHE 29 HB2 PHE 29 1.477 -0.710 -0.414
190 HB3 PHE 29 HB1 PHE 29 3.179 -1.012 -0.750
191 HD1 PHE 29 HD2 PHE 29 3.835 -2.552 -2.544
192 HD2 PHE 29 HD1 PHE 29 -0.241 -1.554 -1.835
193 HE1 PHE 29 HE2 PHE 29 3.240 -3.420 -4.769
194 HE2 PHE 29 HE1 PHE 29 -0.844 -2.421 -4.057
195 HZ PHE 29 HZ PHE 29 0.897 -3.355 -5.527
196 H GLY 30 HN GLY 30 2.354 -3.484 2.759
197 HA2 GLY 30 HA2 GLY 30 3.989 -1.377 3.860
198 HA3 GLY 30 HA1 GLY 30 3.351 -2.761 4.729
199 H ILE 31 HN ILE 31 4.787 -3.987 2.028
200 HA ILE 31 HA ILE 31 6.690 -5.179 1.674
201 HB ILE 31 HB ILE 31 8.111 -3.089 3.311
202 HG12 ILE 31 HG12 ILE 31 7.229 -2.938 0.419
203 HG13 ILE 31 HG11 ILE 31 6.640 -1.935 1.741
204 HG21 ILE 31 HG21 ILE 31 9.216 -4.239 0.818
205 HG22 ILE 31 HG22 ILE 31 9.131 -5.298 2.226
206 HG23 ILE 31 HG23 ILE 31 10.027 -3.781 2.314
207 HD11 ILE 31 HD11 ILE 31 9.513 -1.983 0.873
208 HD12 ILE 31 HD12 ILE 31 8.718 -0.826 1.940
209 HD13 ILE 31 HD13 ILE 31 8.316 -0.862 0.223
210 H LYS 32 HN LYS 32 6.000 -6.943 2.979
211 HA LYS 32 HA LYS 32 7.197 -7.052 5.662
212 HB2 LYS 32 HB2 LYS 32 4.841 -8.405 4.408
213 HB3 LYS 32 HB1 LYS 32 5.666 -9.184 5.752
214 HG2 LYS 32 HG2 LYS 32 5.324 -7.087 7.070
215 HG3 LYS 32 HG1 LYS 32 4.318 -6.496 5.744
216 HD2 LYS 32 HD2 LYS 32 2.907 -8.547 6.013
217 HD3 LYS 32 HD1 LYS 32 3.841 -8.927 7.463
218 HE2 LYS 32 HE2 LYS 32 3.023 -6.229 7.668
219 HE3 LYS 32 HE1 LYS 32 1.615 -7.164 7.170
220 HZ1 LYS 32 HZ1 LYS 32 1.483 -7.419 9.408
221 HZ2 LYS 32 HZ2 LYS 32 3.153 -7.298 9.652
222 HZ3 LYS 32 HZ3 LYS 32 2.487 -8.739 9.069
223 H HIS 33 HN HIS 33 8.380 -7.626 2.851
224 HA HIS 33 HA HIS 33 9.677 -10.126 3.647
225 HB2 HIS 33 HB2 HIS 33 9.595 -10.938 1.349
226 HB3 HIS 33 HB1 HIS 33 7.968 -10.670 1.959
227 HD1 HIS 33 HD1 HIS 33 9.776 -10.239 -1.001
228 HD2 HIS 33 HD2 HIS 33 7.197 -7.783 1.139
229 HE1 HIS 33 HE1 HIS 33 8.972 -8.514 -2.645
230 HE2 HIS 33 HE2 HIS 33 7.381 -7.061 -1.338
231 H HIS 34 HN HIS 34 10.884 -7.843 4.229
232 HA HIS 34 HA HIS 34 13.109 -7.775 2.346
233 HB2 HIS 34 HB2 HIS 34 11.356 -5.895 1.900
234 HB3 HIS 34 HB1 HIS 34 12.036 -5.157 3.346
235 HD1 HIS 34 HD1 HIS 34 13.359 -6.561 0.060
236 HD2 HIS 34 HD2 HIS 34 14.092 -3.508 2.781
237 HE1 HIS 34 HE1 HIS 34 15.242 -5.217 -0.929
238 HE2 HIS 34 HE2 HIS 34 15.588 -3.311 0.681
239 H SER 35 HN SER 35 12.804 -8.892 4.977
240 HA SER 35 HA SER 35 15.176 -8.139 6.172
241 HB2 SER 35 HB2 SER 35 13.179 -6.200 6.662
242 HB3 SER 35 HB1 SER 35 13.394 -7.088 8.171
243 HG SER 35 HG SER 35 15.627 -6.183 6.715
244 H SER 36 HN SER 36 15.385 -8.975 8.453
245 HA SER 36 HA SER 36 13.645 -11.327 8.777
246 HB2 SER 36 HB2 SER 36 16.564 -10.871 9.263
247 HB3 SER 36 HB1 SER 36 15.714 -12.069 10.239
248 HG SER 36 HG SER 36 14.954 -12.881 8.100
249 H GLY 37 HN GLY 37 15.870 -9.706 11.022
250 HA2 GLY 37 HA2 GLY 37 15.244 -8.391 12.895
251 HA3 GLY 37 HA1 GLY 37 13.604 -9.002 12.742
252 H SER 38 HN SER 38 14.644 -8.957 15.205
253 HA SER 38 HA SER 38 15.355 -11.769 15.734
254 HB2 SER 38 HB2 SER 38 16.312 -9.223 16.987
255 HB3 SER 38 HB1 SER 38 16.252 -10.692 17.962
256 HG SER 38 HG SER 38 17.955 -9.999 15.919
257 H SER 39 HN SER 39 14.799 -12.310 18.146
258 HA SER 39 HA SER 39 12.403 -11.038 19.136
259 HB2 SER 39 HB2 SER 39 11.000 -13.048 19.021
260 HB3 SER 39 HB1 SER 39 11.491 -12.538 17.406
261 HG SER 39 HG SER 39 12.254 -14.781 18.881
262 H SER 40 HN SER 40 14.531 -13.874 19.334
263 HA SER 40 HA SER 40 14.394 -13.655 22.269
264 HB2 SER 40 HB2 SER 40 15.116 -16.194 22.057
265 HB3 SER 40 HB1 SER 40 13.419 -15.724 21.960
266 HG SER 40 HG SER 40 13.933 -17.099 20.249
267 H TYR 41 HN TYR 41 16.203 -12.090 21.090
268 HA TYR 41 HA TYR 41 18.751 -13.538 21.073
269 HB2 TYR 41 HB2 TYR 41 17.766 -11.474 19.482
270 HB3 TYR 41 HB1 TYR 41 18.927 -10.684 20.543
271 HD1 TYR 41 HD2 TYR 41 21.284 -11.668 20.661
272 HD2 TYR 41 HD1 TYR 41 18.492 -12.691 17.619
273 HE1 TYR 41 HE2 TYR 41 23.129 -12.468 19.246
274 HE2 TYR 41 HE1 TYR 41 20.329 -13.495 16.195
275 HH TYR 41 HH TYR 41 23.400 -14.113 17.331
276 H HIS 42 HN HIS 42 17.061 -10.902 22.700
277 HA HIS 42 HA HIS 42 19.287 -10.422 24.492
278 HB2 HIS 42 HB2 HIS 42 17.778 -8.735 25.514
279 HB3 HIS 42 HB1 HIS 42 17.984 -8.507 23.781
280 HD1 HIS 42 HD1 HIS 42 15.437 -8.965 26.360
281 HD2 HIS 42 HD2 HIS 42 15.685 -9.391 22.234
282 HE1 HIS 42 HE1 HIS 42 13.058 -9.048 25.549
283 HE2 HIS 42 HE2 HIS 42 13.234 -9.207 23.041
284 H CYS 43 HN CYS 43 19.312 -12.635 25.326
285 HA CYS 43 HA CYS 43 17.097 -13.453 27.004
286 HB2 CYS 43 HB2 CYS 43 18.610 -15.407 27.522
287 HB3 CYS 43 HB1 CYS 43 18.186 -15.219 25.824
288 H1 NAG 44 H1 NAG 44 -7.395 7.961 0.099
289 H2 NAG 44 H2 NAG 44 -8.155 5.855 -1.408
290 H3 NAG 44 H3 NAG 44 -7.629 6.168 -3.740
291 H4 NAG 44 H4 NAG 44 -7.289 8.604 -4.551
292 H5 NAG 44 H5 NAG 44 -7.630 9.810 -3.169
293 H61 NAG 44 H61 NAG 44 -6.581 11.344 -2.054
294 H62 NAG 44 H62 NAG 44 -6.023 10.882 -3.677
295 H81 NAG 44 H81 NAG 44 -3.640 4.620 -2.531
296 H82 NAG 44 H82 NAG 44 -3.534 6.298 -1.931
297 H83 NAG 44 H83 NAG 44 -3.921 4.969 -0.804
298 HN2 NAG 44 HN2 NAG 44 -5.668 7.070 -0.823
299 HO3 NAG 44 HO3 NAG 44 -9.590 6.910 -3.982
300 HO4 NAG 44 HO4 NAG 44 -5.089 8.304 -4.333
301 HO6 NAG 44 HO6 NAG 44 -4.391 9.556 -2.496
302 H1 NAG 45 H1 NAG 45 22.025 -16.617 26.356
303 H2 NAG 45 H2 NAG 45 20.428 -16.154 28.915
304 H3 NAG 45 H3 NAG 45 22.758 -18.031 28.306
305 H4 NAG 45 H4 NAG 45 19.825 -18.628 28.934
306 H5 NAG 45 H5 NAG 45 21.415 -18.991 26.350
307 H61 NAG 45 H61 NAG 45 18.657 -19.812 27.247
308 H62 NAG 45 H62 NAG 45 19.842 -20.702 26.264
309 H81 NAG 45 H81 NAG 45 24.126 -13.520 28.830
310 H82 NAG 45 H82 NAG 45 25.135 -14.797 29.560
311 H83 NAG 45 H83 NAG 45 25.373 -14.340 27.851
312 HN2 NAG 45 HN2 NAG 45 22.184 -14.713 29.373
313 HO3 NAG 45 HO3 NAG 45 22.810 -17.434 30.439
314 HO4 NAG 45 HO4 NAG 45 20.710 -20.793 28.252
315 HO6 NAG 45 HO6 NAG 45 18.597 -19.990 24.675
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 -7.393 -18.142 3.828
2 H2 LYS 1 HT2 LYS 1 -8.593 -17.186 3.058
3 H3 LYS 1 HT3 LYS 1 -7.873 -16.650 4.522
4 HA LYS 1 HA LYS 1 -5.826 -16.302 3.509
5 HB2 LYS 1 HB2 LYS 1 -7.110 -17.614 1.104
6 HB3 LYS 1 HB1 LYS 1 -5.532 -16.838 1.088
7 HG2 LYS 1 HG2 LYS 1 -4.693 -18.834 1.577
8 HG3 LYS 1 HG1 LYS 1 -5.356 -18.607 3.197
9 HD2 LYS 1 HD2 LYS 1 -6.510 -20.484 2.812
10 HD3 LYS 1 HD1 LYS 1 -7.529 -19.495 1.764
11 HE2 LYS 1 HE2 LYS 1 -6.972 -21.169 0.310
12 HE3 LYS 1 HE1 LYS 1 -5.654 -20.041 -0.004
13 HZ1 LYS 1 HZ1 LYS 1 -5.584 -22.668 1.181
14 HZ2 LYS 1 HZ2 LYS 1 -4.679 -21.516 2.025
15 HZ3 LYS 1 HZ3 LYS 1 -4.363 -21.805 0.389
16 HA PRO 2 HA PRO 2 -8.701 -12.705 2.730
17 HB2 PRO 2 HB2 PRO 2 -6.147 -11.479 3.687
18 HB3 PRO 2 HB1 PRO 2 -7.817 -11.053 4.083
19 HG2 PRO 2 HG2 PRO 2 -6.333 -12.427 5.809
20 HG3 PRO 2 HG1 PRO 2 -8.050 -12.813 5.581
21 HD2 PRO 2 HD2 PRO 2 -5.634 -14.273 4.627
22 HD3 PRO 2 HD1 PRO 2 -7.215 -14.906 5.128
23 H ALA 3 HN ALA 3 -8.657 -11.211 1.063
24 HA ALA 3 HA ALA 3 -6.382 -10.464 -0.408
25 HB1 ALA 3 HB1 ALA 3 -7.995 -12.689 -1.650
26 HB2 ALA 3 HB2 ALA 3 -6.313 -12.773 -1.130
27 HB3 ALA 3 HB3 ALA 3 -6.767 -11.736 -2.483
28 H TRP 4 HN TRP 4 -8.471 -9.030 0.594
29 HA TRP 4 HA TRP 4 -10.111 -8.353 -1.747
30 HB2 TRP 4 HB2 TRP 4 -11.466 -7.078 0.030
31 HB3 TRP 4 HB1 TRP 4 -11.579 -8.831 0.013
32 HD1 TRP 4 HD1 TRP 4 -10.256 -10.140 1.990
33 HE1 TRP 4 HE1 TRP 4 -9.638 -9.385 4.373
34 HE3 TRP 4 HE3 TRP 4 -10.798 -5.105 1.391
35 HZ2 TRP 4 HZ2 TRP 4 -9.413 -6.960 5.808
36 HZ3 TRP 4 HZ3 TRP 4 -10.366 -3.629 3.316
37 HH2 TRP 4 HH2 TRP 4 -9.689 -4.540 5.479
38 H CYS 5 HN CYS 5 -7.351 -7.526 -1.403
39 HA CYS 5 HA CYS 5 -7.164 -4.868 -0.488
40 HB2 CYS 5 HB2 CYS 5 -5.267 -6.517 -1.004
41 HB3 CYS 5 HB1 CYS 5 -5.460 -6.031 -2.685
42 H TRP 6 HN TRP 6 -7.283 -6.082 -3.848
43 HA TRP 6 HA TRP 6 -7.530 -3.653 -5.125
44 HB2 TRP 6 HB2 TRP 6 -8.238 -4.819 -7.036
45 HB3 TRP 6 HB1 TRP 6 -7.233 -5.965 -6.157
46 HD1 TRP 6 HD1 TRP 6 -8.576 -7.907 -4.780
47 HE1 TRP 6 HE1 TRP 6 -10.820 -9.061 -5.335
48 HE3 TRP 6 HE3 TRP 6 -10.437 -4.458 -8.018
49 HZ2 TRP 6 HZ2 TRP 6 -13.092 -8.544 -6.951
50 HZ3 TRP 6 HZ3 TRP 6 -12.653 -4.843 -9.033
51 HH2 TRP 6 HH2 TRP 6 -13.951 -6.845 -8.508
52 H TYR 7 HN TYR 7 -9.963 -5.559 -3.496
53 HA TYR 7 HA TYR 7 -12.276 -4.273 -4.385
54 HB2 TYR 7 HB2 TYR 7 -11.509 -5.934 -2.077
55 HB3 TYR 7 HB1 TYR 7 -12.859 -4.847 -1.769
56 HD1 TYR 7 HD2 TYR 7 -14.766 -4.889 -3.570
57 HD2 TYR 7 HD1 TYR 7 -11.920 -8.005 -3.027
58 HE1 TYR 7 HE2 TYR 7 -16.291 -6.466 -4.677
59 HE2 TYR 7 HE1 TYR 7 -13.439 -9.591 -4.132
60 HH TYR 7 HH TYR 7 -16.531 -9.228 -4.497
61 H THR 8 HN THR 8 -10.076 -3.505 -1.729
62 HA THR 8 HA THR 8 -11.449 -1.333 -0.640
63 HB THR 8 HB THR 8 -8.509 -2.007 -0.779
64 HG1 THR 8 HG1 THR 8 -10.254 -1.988 1.444
65 HG21 THR 8 HG21 THR 8 -9.656 0.503 0.047
66 HG22 THR 8 HG22 THR 8 -7.965 0.025 -0.097
67 HG23 THR 8 HG23 THR 8 -8.855 -0.314 1.389
68 H LEU 9 HN LEU 9 -9.211 -1.543 -3.355
69 HA LEU 9 HA LEU 9 -9.021 1.259 -3.802
70 HB2 LEU 9 HB2 LEU 9 -8.437 -1.146 -5.510
71 HB3 LEU 9 HB1 LEU 9 -8.231 0.489 -6.108
72 HG LEU 9 HG LEU 9 -6.566 0.944 -4.393
73 HD11 LEU 9 HD11 LEU 9 -5.764 -0.886 -2.943
74 HD12 LEU 9 HD12 LEU 9 -7.104 -1.885 -3.505
75 HD13 LEU 9 HD13 LEU 9 -7.424 -0.409 -2.592
76 HD21 LEU 9 HD21 LEU 9 -5.005 0.107 -5.733
77 HD22 LEU 9 HD22 LEU 9 -6.275 -0.792 -6.561
78 HD23 LEU 9 HD23 LEU 9 -5.384 -1.541 -5.236
79 H ALA 10 HN ALA 10 -10.950 -1.305 -5.336
80 HA ALA 10 HA ALA 10 -12.242 0.247 -7.249
81 HB1 ALA 10 HB1 ALA 10 -12.979 -2.276 -5.822
82 HB2 ALA 10 HB2 ALA 10 -12.535 -2.035 -7.512
83 HB3 ALA 10 HB3 ALA 10 -14.118 -1.513 -6.932
84 H MET 11 HN MET 11 -12.727 0.060 -3.827
85 HA MET 11 HA MET 11 -15.278 1.471 -3.977
86 HB2 MET 11 HB2 MET 11 -13.725 0.311 -1.663
87 HB3 MET 11 HB1 MET 11 -15.215 1.225 -1.466
88 HG2 MET 11 HG2 MET 11 -15.877 -0.677 -3.348
89 HG3 MET 11 HG1 MET 11 -14.813 -1.543 -2.239
90 HE1 MET 11 HE1 MET 11 -18.786 -2.103 -1.730
91 HE2 MET 11 HE2 MET 11 -17.703 -1.946 -3.114
92 HE3 MET 11 HE3 MET 11 -18.705 -0.581 -2.619
93 H CYS 12 HN CYS 12 -11.928 2.058 -3.385
94 HA CYS 12 HA CYS 12 -12.062 4.386 -1.841
95 HB2 CYS 12 HB2 CYS 12 -10.063 2.980 -3.401
96 HB3 CYS 12 HB1 CYS 12 -9.877 4.724 -3.550
97 H GLY 13 HN GLY 13 -11.070 6.525 -2.891
98 HA2 GLY 13 HA2 GLY 13 -11.200 7.852 -4.994
99 HA3 GLY 13 HA1 GLY 13 -12.816 7.189 -5.181
100 H ALA 14 HN ALA 14 -10.996 8.776 -2.553
101 HA ALA 14 HA ALA 14 -13.070 10.836 -2.428
102 HB1 ALA 14 HB1 ALA 14 -13.920 9.376 -0.806
103 HB2 ALA 14 HB2 ALA 14 -13.026 10.586 0.114
104 HB3 ALA 14 HB3 ALA 14 -12.317 8.998 -0.177
105 H GLY 15 HN GLY 15 -10.399 10.960 -3.406
106 HA2 GLY 15 HA2 GLY 15 -8.451 12.166 -3.191
107 HA3 GLY 15 HA1 GLY 15 -9.478 13.322 -2.356
108 H TYR 16 HN TYR 16 -8.256 13.982 -0.690
109 HA TYR 16 HA TYR 16 -6.353 12.505 0.690
110 HB2 TYR 16 HB2 TYR 16 -6.811 15.035 0.752
111 HB3 TYR 16 HB1 TYR 16 -7.996 14.663 2.000
112 HD1 TYR 16 HD1 TYR 16 -4.475 13.638 1.243
113 HD2 TYR 16 HD2 TYR 16 -7.249 15.063 4.137
114 HE1 TYR 16 HE1 TYR 16 -2.690 13.659 2.934
115 HE2 TYR 16 HE2 TYR 16 -5.471 15.090 5.836
116 HH TYR 16 HH TYR 16 -2.126 14.503 5.007
117 H ASP 17 HN ASP 17 -6.358 11.463 2.711
118 HA ASP 17 HA ASP 17 -7.148 9.910 4.180
119 HB2 ASP 17 HB2 ASP 17 -8.129 12.222 4.955
120 HB3 ASP 17 HB1 ASP 17 -9.665 11.509 4.469
121 H SER 18 HN SER 18 -7.413 8.580 2.136
122 HA SER 18 HA SER 18 -9.791 8.146 0.818
123 HB2 SER 18 HB2 SER 18 -8.081 5.799 1.560
124 HB3 SER 18 HB1 SER 18 -8.861 6.170 0.023
125 H GLY 19 HN GLY 19 -8.670 6.632 3.832
126 HA2 GLY 19 HA2 GLY 19 -10.206 6.218 5.633
127 HA3 GLY 19 HA1 GLY 19 -11.482 6.010 4.444
128 H THR 20 HN THR 20 -10.305 4.245 2.684
129 HA THR 20 HA THR 20 -10.101 1.843 4.365
130 HB THR 20 HB THR 20 -10.593 1.675 1.426
131 HG1 THR 20 HG1 THR 20 -12.520 2.508 1.537
132 HG21 THR 20 HG21 THR 20 -11.438 -0.347 1.858
133 HG22 THR 20 HG22 THR 20 -12.280 0.201 3.307
134 HG23 THR 20 HG23 THR 20 -10.564 -0.198 3.383
135 H CYS 21 HN CYS 21 -8.909 2.919 1.172
136 HA CYS 21 HA CYS 21 -6.771 1.122 1.051
137 HB2 CYS 21 HB2 CYS 21 -6.822 3.861 -0.221
138 HB3 CYS 21 HB1 CYS 21 -5.937 2.444 -0.772
139 H ASP 22 HN ASP 22 -6.947 4.402 2.359
140 HA ASP 22 HA ASP 22 -4.206 4.737 2.826
141 HB2 ASP 22 HB2 ASP 22 -6.383 6.323 3.142
142 HB3 ASP 22 HB1 ASP 22 -6.043 5.920 4.822
143 H TYR 23 HN TYR 23 -6.463 2.667 4.331
144 HA TYR 23 HA TYR 23 -4.686 2.291 6.644
145 HB2 TYR 23 HB2 TYR 23 -7.372 2.750 6.640
146 HB3 TYR 23 HB1 TYR 23 -7.332 0.993 6.679
147 HD1 TYR 23 HD1 TYR 23 -5.852 3.960 8.399
148 HD2 TYR 23 HD2 TYR 23 -7.119 -0.089 8.717
149 HE1 TYR 23 HE1 TYR 23 -5.435 4.026 10.821
150 HE2 TYR 23 HE2 TYR 23 -6.705 -0.035 11.140
151 HH TYR 23 HH TYR 23 -6.222 2.815 12.860
152 H MET 24 HN MET 24 -6.281 0.693 3.965
153 HA MET 24 HA MET 24 -5.220 -1.893 4.743
154 HB2 MET 24 HB2 MET 24 -7.303 -2.356 3.984
155 HB3 MET 24 HB1 MET 24 -7.402 -0.874 3.057
156 HG2 MET 24 HG2 MET 24 -6.985 -1.936 1.161
157 HG3 MET 24 HG1 MET 24 -5.600 -2.773 1.840
158 HE1 MET 24 HE1 MET 24 -5.481 -5.118 2.445
159 HE2 MET 24 HE2 MET 24 -6.836 -6.150 2.901
160 HE3 MET 24 HE3 MET 24 -6.377 -4.793 3.929
161 H TYR 25 HN TYR 25 -5.110 0.348 1.978
162 HA TYR 25 HA TYR 25 -3.273 -1.031 0.414
163 HB2 TYR 25 HB2 TYR 25 -4.633 1.311 0.161
164 HB3 TYR 25 HB1 TYR 25 -3.001 1.907 0.415
165 HD1 TYR 25 HD1 TYR 25 -4.087 -1.168 -1.373
166 HD2 TYR 25 HD2 TYR 25 -2.365 2.709 -1.686
167 HE1 TYR 25 HE1 TYR 25 -3.570 -1.595 -3.739
168 HE2 TYR 25 HE2 TYR 25 -1.842 2.293 -4.052
169 HH TYR 25 HH TYR 25 -3.201 -0.034 -5.854
170 H SER 26 HN SER 26 -2.713 1.386 2.946
171 HA SER 26 HA SER 26 0.009 1.713 2.736
172 HB2 SER 26 HB2 SER 26 -1.984 2.301 4.665
173 HB3 SER 26 HB1 SER 26 -0.651 1.526 5.522
174 HG SER 26 HG SER 26 0.446 3.290 5.285
175 H HIS 27 HN HIS 27 -1.716 -0.811 4.554
176 HA HIS 27 HA HIS 27 0.763 -2.138 5.235
177 HB2 HIS 27 HB2 HIS 27 -1.681 -2.039 6.449
178 HB3 HIS 27 HB1 HIS 27 -1.758 -3.605 5.646
179 HD1 HIS 27 HD1 HIS 27 0.770 -1.762 7.828
180 HD2 HIS 27 HD2 HIS 27 -0.780 -5.569 7.213
181 HE1 HIS 27 HE1 HIS 27 1.883 -3.227 9.543
182 HE2 HIS 27 HE2 HIS 27 0.956 -5.533 9.129
183 H CYS 28 HN CYS 28 -1.765 -2.404 2.859
184 HA CYS 28 HA CYS 28 -1.247 -5.047 1.998
185 HB2 CYS 28 HB2 CYS 28 -3.277 -3.554 1.477
186 HB3 CYS 28 HB1 CYS 28 -2.278 -2.851 0.211
187 H PHE 29 HN PHE 29 0.093 -1.918 1.115
188 HA PHE 29 HA PHE 29 1.905 -3.230 -0.784
189 HB2 PHE 29 HB2 PHE 29 0.722 -0.535 -0.591
190 HB3 PHE 29 HB1 PHE 29 2.411 -0.575 -1.088
191 HD1 PHE 29 HD1 PHE 29 -0.034 -3.217 -1.861
192 HD2 PHE 29 HD2 PHE 29 2.088 0.173 -3.317
193 HE1 PHE 29 HE1 PHE 29 -0.722 -3.778 -4.155
194 HE2 PHE 29 HE2 PHE 29 1.402 -0.381 -5.615
195 HZ PHE 29 HZ PHE 29 -0.005 -2.358 -6.036
196 H GLY 30 HN GLY 30 1.775 -1.688 2.288
197 HA2 GLY 30 HA2 GLY 30 3.377 -1.344 3.895
198 HA3 GLY 30 HA1 GLY 30 4.388 -2.462 2.991
199 H ILE 31 HN ILE 31 4.478 0.452 4.286
200 HA ILE 31 HA ILE 31 5.424 2.099 2.165
201 HB ILE 31 HB ILE 31 6.123 2.482 5.065
202 HG12 ILE 31 HG12 ILE 31 3.810 3.981 4.432
203 HG13 ILE 31 HG11 ILE 31 3.495 2.329 3.907
204 HG21 ILE 31 HG21 ILE 31 5.360 4.702 3.264
205 HG22 ILE 31 HG22 ILE 31 6.900 3.904 2.945
206 HG23 ILE 31 HG23 ILE 31 6.594 4.631 4.522
207 HD11 ILE 31 HD11 ILE 31 2.831 2.045 6.022
208 HD12 ILE 31 HD12 ILE 31 3.738 3.442 6.604
209 HD13 ILE 31 HD13 ILE 31 4.556 1.899 6.359
210 H LYS 32 HN LYS 32 6.868 0.299 1.331
211 HA LYS 32 HA LYS 32 9.557 0.983 1.764
212 HB2 LYS 32 HB2 LYS 32 10.207 -1.387 2.623
213 HB3 LYS 32 HB1 LYS 32 9.670 -0.169 3.772
214 HG2 LYS 32 HG2 LYS 32 7.562 -1.170 4.017
215 HG3 LYS 32 HG1 LYS 32 7.777 -2.165 2.575
216 HD2 LYS 32 HD2 LYS 32 8.127 -3.653 4.340
217 HD3 LYS 32 HD1 LYS 32 9.758 -3.207 3.836
218 HE2 LYS 32 HE2 LYS 32 9.460 -1.338 5.656
219 HE3 LYS 32 HE1 LYS 32 8.247 -2.448 6.294
220 HZ1 LYS 32 HZ1 LYS 32 10.315 -4.094 5.863
221 HZ2 LYS 32 HZ2 LYS 32 9.999 -3.338 7.343
222 HZ3 LYS 32 HZ3 LYS 32 11.131 -2.672 6.278
223 H HIS 33 HN HIS 33 9.780 1.009 -0.416
224 HA HIS 33 HA HIS 33 8.951 -1.258 -2.019
225 HB2 HIS 33 HB2 HIS 33 10.026 1.473 -2.590
226 HB3 HIS 33 HB1 HIS 33 10.139 0.234 -3.837
227 HD1 HIS 33 HD1 HIS 33 8.432 1.320 -5.391
228 HD2 HIS 33 HD2 HIS 33 6.941 0.529 -1.594
229 HE1 HIS 33 HE1 HIS 33 5.946 1.666 -5.559
230 HE2 HIS 33 HE2 HIS 33 5.075 1.255 -3.231
231 H HIS 34 HN HIS 34 10.615 -2.437 -0.474
232 HA HIS 34 HA HIS 34 13.370 -2.240 -1.263
233 HB2 HIS 34 HB2 HIS 34 11.851 -4.202 0.457
234 HB3 HIS 34 HB1 HIS 34 13.571 -4.370 0.121
235 HD1 HIS 34 HD1 HIS 34 14.518 -1.496 0.470
236 HD2 HIS 34 HD2 HIS 34 11.826 -3.353 3.032
237 HE1 HIS 34 HE1 HIS 34 14.678 -0.236 2.640
238 HE2 HIS 34 HE2 HIS 34 12.977 -1.323 4.147
239 H SER 35 HN SER 35 12.847 -2.491 -3.602
240 HA SER 35 HA SER 35 11.940 -4.975 -4.626
241 HB2 SER 35 HB2 SER 35 13.204 -2.530 -5.770
242 HB3 SER 35 HB1 SER 35 13.238 -4.003 -6.738
243 HG SER 35 HG SER 35 11.361 -2.623 -7.049
244 H SER 36 HN SER 36 13.157 -6.578 -3.572
245 HA SER 36 HA SER 36 15.603 -7.253 -4.920
246 HB2 SER 36 HB2 SER 36 15.615 -6.360 -2.053
247 HB3 SER 36 HB1 SER 36 16.770 -7.572 -2.606
248 HG SER 36 HG SER 36 17.399 -5.257 -2.727
249 H GLY 37 HN GLY 37 15.023 -9.257 -5.479
250 HA2 GLY 37 HA2 GLY 37 13.881 -10.996 -3.382
251 HA3 GLY 37 HA1 GLY 37 13.544 -11.169 -5.099
252 H SER 38 HN SER 38 15.944 -11.132 -6.285
253 HA SER 38 HA SER 38 17.869 -12.776 -4.934
254 HB2 SER 38 HB2 SER 38 17.667 -14.743 -6.364
255 HB3 SER 38 HB1 SER 38 16.146 -14.459 -5.519
256 HG SER 38 HG SER 38 15.274 -13.637 -7.389
257 H SER 39 HN SER 39 16.956 -12.694 -8.362
258 HA SER 39 HA SER 39 18.830 -10.710 -9.110
259 HB2 SER 39 HB2 SER 39 20.212 -12.535 -10.474
260 HB3 SER 39 HB1 SER 39 20.659 -12.071 -8.832
261 HG SER 39 HG SER 39 20.303 -14.449 -9.528
262 H SER 40 HN SER 40 16.376 -10.647 -9.850
263 HA SER 40 HA SER 40 16.427 -10.956 -12.682
264 HB2 SER 40 HB2 SER 40 15.886 -13.275 -12.113
265 HB3 SER 40 HB1 SER 40 14.531 -12.731 -11.125
266 HG SER 40 HG SER 40 14.747 -12.115 -13.877
267 H TYR 41 HN TYR 41 15.987 -8.739 -12.570
268 HA TYR 41 HA TYR 41 13.174 -8.120 -12.011
269 HB2 TYR 41 HB2 TYR 41 15.423 -7.157 -10.520
270 HB3 TYR 41 HB1 TYR 41 14.683 -5.807 -11.374
271 HD1 TYR 41 HD1 TYR 41 13.368 -8.836 -9.608
272 HD2 TYR 41 HD2 TYR 41 13.268 -4.602 -10.018
273 HE1 TYR 41 HE1 TYR 41 11.615 -8.717 -7.889
274 HE2 TYR 41 HE2 TYR 41 11.515 -4.471 -8.299
275 HH TYR 41 HH TYR 41 9.649 -6.837 -7.389
276 H HIS 42 HN HIS 42 12.661 -5.834 -12.885
277 HA HIS 42 HA HIS 42 14.150 -5.316 -15.362
278 HB2 HIS 42 HB2 HIS 42 12.036 -5.029 -16.589
279 HB3 HIS 42 HB1 HIS 42 12.205 -6.669 -15.971
280 HD1 HIS 42 HD1 HIS 42 10.442 -7.496 -14.356
281 HD2 HIS 42 HD2 HIS 42 10.083 -3.448 -15.223
282 HE1 HIS 42 HE1 HIS 42 8.236 -6.793 -13.375
283 HE2 HIS 42 HE2 HIS 42 8.085 -4.318 -13.830
284 H CYS 43 HN CYS 43 14.327 -3.194 -15.938
285 HA CYS 43 HA CYS 43 13.500 -1.254 -13.933
286 HB2 CYS 43 HB2 CYS 43 15.775 -1.530 -15.499
287 HB3 CYS 43 HB1 CYS 43 14.919 -0.184 -16.243
288 H1 NAG 44 H1 NAG 44 -7.745 7.868 -1.528
289 H2 NAG 44 H2 NAG 44 -4.812 7.117 -1.252
290 H3 NAG 44 H3 NAG 44 -6.118 9.203 -3.036
291 H4 NAG 44 H4 NAG 44 -7.157 7.610 -3.505
292 H5 NAG 44 H5 NAG 44 -5.628 5.757 -2.798
293 H61 NAG 44 H61 NAG 44 -6.117 3.814 -3.029
294 H62 NAG 44 H62 NAG 44 -7.504 4.151 -4.089
295 H81 NAG 44 H81 NAG 44 -3.472 11.038 0.519
296 H82 NAG 44 H82 NAG 44 -5.098 10.813 1.221
297 H83 NAG 44 H83 NAG 44 -3.675 10.080 2.011
298 HN2 NAG 44 HN2 NAG 44 -5.971 9.796 -0.651
299 HO3 NAG 44 HO3 NAG 44 -3.750 7.611 -3.291
300 HO4 NAG 44 HO4 NAG 44 -6.099 8.252 -5.422
301 HO6 NAG 44 HO6 NAG 44 -4.812 4.127 -4.680
302 H1 NAG 45 H1 NAG 45 17.882 -0.522 -14.367
303 H2 NAG 45 H2 NAG 45 17.252 0.258 -11.485
304 H3 NAG 45 H3 NAG 45 19.848 -0.654 -12.807
305 H4 NAG 45 H4 NAG 45 18.078 -2.034 -10.729
306 H5 NAG 45 H5 NAG 45 18.631 -2.751 -13.649
307 H61 NAG 45 H61 NAG 45 16.360 -4.028 -12.321
308 H62 NAG 45 H62 NAG 45 17.889 -4.411 -11.498
309 H81 NAG 45 H81 NAG 45 17.751 4.750 -12.069
310 H82 NAG 45 H82 NAG 45 19.428 4.137 -12.130
311 H83 NAG 45 H83 NAG 45 18.386 4.035 -13.578
312 HN2 NAG 45 HN2 NAG 45 18.970 1.674 -13.466
313 HO3 NAG 45 HO3 NAG 45 19.262 -0.226 -10.046
314 HO4 NAG 45 HO4 NAG 45 20.229 -3.213 -12.141
315 HO6 NAG 45 HO6 NAG 45 17.946 -5.864 -13.093