Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
584887 | 2mvi RC | 25269 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.239 -1.730 -3.387
2 HA LYS 1 HA LYS 1 2.275 -1.897 -5.592
3 HB2 LYS 1 1HB LYS 1 1.856 0.731 -4.299
4 HB3 LYS 1 2HB LYS 1 2.781 0.752 -5.795
5 HG2 LYS 1 1HG LYS 1 1.003 -0.040 -7.056
6 HG3 LYS 1 2HG LYS 1 0.164 -0.688 -5.644
7 HD2 LYS 1 1HD LYS 1 0.133 1.849 -4.924
8 HD3 LYS 1 2HD LYS 1 0.304 2.110 -6.661
9 HE2 LYS 1 1HE LYS 1 -2.002 2.108 -6.322
10 HE3 LYS 1 2HE LYS 1 -1.662 0.477 -6.897
11 HZ1 LYS 1 3HZ LYS 1 -1.902 -0.397 -4.756
12 HZ2 LYS 1 1HZ LYS 1 -3.180 0.702 -4.901
13 HZ3 LYS 1 2HZ LYS 1 -1.803 1.119 -4.013
14 HA PRO 2 HA PRO 2 6.654 -1.885 -5.861
15 HB2 PRO 2 1HB PRO 2 7.084 -0.845 -8.332
16 HB3 PRO 2 2HB PRO 2 6.426 -2.465 -8.073
17 HG2 PRO 2 1HG PRO 2 4.992 0.080 -8.728
18 HG3 PRO 2 2HG PRO 2 4.740 -1.548 -9.385
19 HD2 PRO 2 1HD PRO 2 3.151 -0.489 -7.465
20 HD3 PRO 2 2HD PRO 2 3.500 -2.227 -7.565
21 H ALA 3 H ALA 3 8.460 -0.271 -6.973
22 HA ALA 3 HA ALA 3 8.290 2.122 -5.329
23 HB1 ALA 3 1HB ALA 3 10.552 2.137 -5.303
24 HB2 ALA 3 2HB ALA 3 10.332 0.441 -5.739
25 HB3 ALA 3 3HB ALA 3 10.685 1.634 -6.989
26 H TRP 4 H TRP 4 7.011 1.527 -8.141
27 HA TRP 4 HA TRP 4 7.973 3.956 -9.487
28 HB2 TRP 4 1HB TRP 4 6.065 2.211 -10.909
29 HB3 TRP 4 2HB TRP 4 7.547 2.969 -11.483
30 HD1 TRP 4 HD1 TRP 4 9.752 1.651 -9.808
31 HE1 TRP 4 HE1 TRP 4 10.238 -0.872 -9.948
32 HE3 TRP 4 HE3 TRP 4 5.254 0.059 -11.643
33 HZ2 TRP 4 HZ2 TRP 4 8.893 -3.226 -10.733
34 HZ3 TRP 4 HZ3 TRP 4 4.935 -2.345 -12.062
35 HH2 TRP 4 HH2 TRP 4 6.718 -3.952 -11.616
36 H CYS 5 H CYS 5 5.002 2.276 -8.516
37 HA CYS 5 HA CYS 5 3.418 4.652 -9.089
38 HB2 CYS 5 1HB CYS 5 2.420 2.072 -7.890
39 HB3 CYS 5 2HB CYS 5 1.496 3.294 -8.757
40 H TRP 6 H TRP 6 1.482 4.587 -7.183
41 HA TRP 6 HA TRP 6 2.690 4.617 -4.552
42 HB2 TRP 6 1HB TRP 6 2.902 6.933 -5.979
43 HB3 TRP 6 2HB TRP 6 1.370 7.184 -5.147
44 HD1 TRP 6 HD1 TRP 6 5.066 7.316 -4.610
45 HE1 TRP 6 HE1 TRP 6 5.575 7.897 -2.155
46 HE3 TRP 6 HE3 TRP 6 0.383 6.722 -2.648
47 HZ2 TRP 6 HZ2 TRP 6 4.176 8.079 0.290
48 HZ3 TRP 6 HZ3 TRP 6 0.053 7.119 -0.242
49 HH2 TRP 6 HH2 TRP 6 1.912 7.783 1.195
50 H TYR 7 H TYR 7 -0.127 5.591 -6.488
51 HA TYR 7 HA TYR 7 -1.915 3.943 -5.059
52 HB2 TYR 7 1HB TYR 7 -1.326 6.182 -3.608
53 HB3 TYR 7 2HB TYR 7 -2.746 6.712 -4.501
54 HD1 TYR 7 HD2 TYR 7 -1.745 3.507 -2.845
55 HD2 TYR 7 HD1 TYR 7 -4.652 6.591 -3.218
56 HE1 TYR 7 HE2 TYR 7 -3.188 2.334 -1.235
57 HE2 TYR 7 HE1 TYR 7 -6.103 5.427 -1.609
58 HH TYR 7 HH TYR 7 -6.052 2.483 -0.883
59 H THR 8 H THR 8 -4.298 5.271 -5.390
60 HA THR 8 HA THR 8 -4.435 5.449 -8.312
61 HB THR 8 HB THR 8 -6.828 5.312 -6.497
62 HG1 THR 8 HG1 THR 8 -5.932 3.467 -5.861
63 HG21 THR 8 3HG2 THR 8 -6.366 5.304 -9.322
64 HG22 THR 8 1HG2 THR 8 -7.899 5.290 -8.451
65 HG23 THR 8 2HG2 THR 8 -7.095 3.771 -8.847
66 H LEU 9 H LEU 9 -3.549 7.651 -6.506
67 HA LEU 9 HA LEU 9 -5.571 9.610 -6.316
68 HB2 LEU 9 1HB LEU 9 -2.639 9.514 -6.057
69 HB3 LEU 9 2HB LEU 9 -3.311 11.086 -6.487
70 HG LEU 9 HG LEU 9 -2.932 10.778 -4.053
71 HD11 LEU 9 1HD1 LEU 9 -4.449 12.417 -4.149
72 HD12 LEU 9 2HD1 LEU 9 -5.597 11.185 -3.626
73 HD13 LEU 9 3HD1 LEU 9 -5.435 11.566 -5.340
74 HD21 LEU 9 3HD2 LEU 9 -5.313 9.140 -3.670
75 HD22 LEU 9 1HD2 LEU 9 -3.735 9.050 -2.888
76 HD23 LEU 9 2HD2 LEU 9 -3.989 8.277 -4.453
77 H ALA 10 H ALA 10 -3.483 8.610 -8.911
78 HA ALA 10 HA ALA 10 -3.416 9.159 -11.120
79 HB1 ALA 10 1HB ALA 10 -5.372 9.759 -12.165
80 HB2 ALA 10 2HB ALA 10 -5.987 9.110 -10.644
81 HB3 ALA 10 3HB ALA 10 -5.856 10.854 -10.869
82 H MET 11 H MET 11 -1.603 10.513 -9.979
83 HA MET 11 HA MET 11 -1.864 13.306 -9.770
84 HB2 MET 11 1HB MET 11 0.669 11.817 -10.459
85 HB3 MET 11 2HB MET 11 0.529 13.376 -9.657
86 HG2 MET 11 1HG MET 11 0.577 12.352 -7.704
87 HG3 MET 11 2HG MET 11 -0.932 11.539 -8.110
88 HE1 MET 11 3HE MET 11 0.993 9.171 -6.279
89 HE2 MET 11 1HE MET 11 -0.562 9.924 -6.634
90 HE3 MET 11 2HE MET 11 -0.164 8.354 -7.331
91 H CYS 12 H CYS 12 -0.003 11.573 -12.271
92 HA CYS 12 HA CYS 12 0.205 13.701 -14.042
93 HB2 CYS 12 1HB CYS 12 0.903 12.118 -15.681
94 HB3 CYS 12 2HB CYS 12 1.458 11.505 -14.126
95 H GLY 13 H GLY 13 -0.836 14.046 -16.119
96 HA2 GLY 13 1HA GLY 13 -2.651 13.873 -17.614
97 HA3 GLY 13 2HA GLY 13 -3.518 12.924 -16.416
98 H ALA 14 H ALA 14 -2.771 14.995 -14.342
99 HA ALA 14 HA ALA 14 -4.890 16.910 -15.051
100 HB1 ALA 14 1HB ALA 14 -5.481 15.619 -13.127
101 HB2 ALA 14 2HB ALA 14 -3.928 15.956 -12.360
102 HB3 ALA 14 3HB ALA 14 -5.098 17.255 -12.591
103 H GLY 15 H GLY 15 -2.025 17.105 -15.785
104 HA2 GLY 15 1HA GLY 15 -0.939 19.210 -16.152
105 HA3 GLY 15 2HA GLY 15 -1.554 19.756 -14.599
106 H TYR 16 H TYR 16 -0.750 17.042 -13.476
107 HA TYR 16 HA TYR 16 1.629 17.792 -12.270
108 HB2 TYR 16 1HB TYR 16 0.084 15.288 -12.519
109 HB3 TYR 16 2HB TYR 16 1.788 15.083 -12.129
110 HD1 TYR 16 HD2 TYR 16 -1.373 16.633 -11.000
111 HD2 TYR 16 HD1 TYR 16 2.620 15.591 -9.963
112 HE1 TYR 16 HE2 TYR 16 -1.860 17.137 -8.642
113 HE2 TYR 16 HE1 TYR 16 2.144 16.092 -7.602
114 HH TYR 16 HH TYR 16 -1.057 17.250 -6.580
115 H ASP 17 H ASP 17 1.075 16.159 -15.306
116 HA ASP 17 HA ASP 17 3.984 16.160 -15.777
117 HB2 ASP 17 1HB ASP 17 1.958 14.127 -16.734
118 HB3 ASP 17 2HB ASP 17 3.645 14.175 -17.237
119 H SER 18 H SER 18 4.174 15.678 -18.379
120 HA SER 18 HA SER 18 3.090 18.088 -19.553
121 HB2 SER 18 1HB SER 18 5.068 16.016 -20.487
122 HB3 SER 18 2HB SER 18 4.468 17.273 -21.567
123 H GLY 19 H GLY 19 0.870 17.216 -19.319
124 HA2 GLY 19 1HA GLY 19 -0.173 15.113 -18.875
125 HA3 GLY 19 2HA GLY 19 -0.651 15.526 -20.515
126 H THR 20 H THR 20 1.772 13.758 -18.635
127 HA THR 20 HA THR 20 1.734 11.636 -20.616
128 HB THR 20 HB THR 20 3.539 13.236 -21.348
129 HG1 THR 20 HG1 THR 20 4.730 10.801 -20.566
130 HG21 THR 20 3HG2 THR 20 4.906 12.260 -18.838
131 HG22 THR 20 1HG2 THR 20 4.298 13.895 -19.098
132 HG23 THR 20 2HG2 THR 20 5.622 13.278 -20.087
133 H CYS 21 H CYS 21 2.117 9.656 -19.748
134 HA CYS 21 HA CYS 21 3.114 9.542 -16.983
135 HB2 CYS 21 1HB CYS 21 0.856 7.817 -18.000
136 HB3 CYS 21 2HB CYS 21 1.414 7.997 -16.340
137 H ASP 22 H ASP 22 3.191 6.926 -16.503
138 HA ASP 22 HA ASP 22 4.334 5.499 -18.753
139 HB2 ASP 22 1HB ASP 22 5.981 6.844 -16.768
140 HB3 ASP 22 2HB ASP 22 6.297 5.112 -16.817
141 H TYR 23 H TYR 23 4.799 5.139 -15.251
142 HA TYR 23 HA TYR 23 4.189 2.386 -15.268
143 HB2 TYR 23 1HB TYR 23 4.010 4.178 -12.848
144 HB3 TYR 23 2HB TYR 23 4.415 2.466 -12.903
145 HD1 TYR 23 HD2 TYR 23 6.537 2.012 -14.563
146 HD2 TYR 23 HD1 TYR 23 5.766 5.588 -12.391
147 HE1 TYR 23 HE2 TYR 23 8.929 2.576 -14.655
148 HE2 TYR 23 HE1 TYR 23 8.156 6.163 -12.478
149 HH TYR 23 HH TYR 23 10.433 4.274 -14.365
150 H MET 24 H MET 24 2.218 5.217 -15.019
151 HA MET 24 HA MET 24 -0.031 4.125 -13.730
152 HB2 MET 24 1HB MET 24 0.302 6.414 -15.661
153 HB3 MET 24 2HB MET 24 -1.264 5.986 -14.984
154 HG2 MET 24 1HG MET 24 -0.615 7.589 -13.509
155 HG3 MET 24 2HG MET 24 0.030 6.157 -12.710
156 HE1 MET 24 3HE MET 24 3.666 6.292 -12.884
157 HE2 MET 24 1HE MET 24 2.644 6.787 -11.534
158 HE3 MET 24 2HE MET 24 2.165 5.427 -12.550
159 H TYR 25 H TYR 25 0.847 4.329 -17.158
160 HA TYR 25 HA TYR 25 -1.550 3.196 -18.146
161 HB2 TYR 25 1HB TYR 25 1.200 3.595 -19.285
162 HB3 TYR 25 2HB TYR 25 -0.011 2.681 -20.178
163 HD1 TYR 25 HD1 TYR 25 -0.021 5.861 -18.201
164 HD2 TYR 25 HD2 TYR 25 -0.983 3.913 -21.859
165 HE1 TYR 25 HE1 TYR 25 -0.961 7.963 -19.067
166 HE2 TYR 25 HE2 TYR 25 -1.923 6.009 -22.736
167 HH TYR 25 HH TYR 25 -2.044 8.255 -22.401
168 H SER 26 H SER 26 0.976 1.839 -16.404
169 HA SER 26 HA SER 26 0.813 -0.799 -17.595
170 HB2 SER 26 1HB SER 26 2.875 0.386 -16.432
171 HB3 SER 26 2HB SER 26 2.166 -0.308 -14.974
172 HG SER 26 HG SER 26 3.074 -2.099 -15.559
173 H HIS 27 H HIS 27 -1.606 0.357 -16.469
174 HA HIS 27 HA HIS 27 -3.378 -0.203 -15.153
175 HB2 HIS 27 1HB HIS 27 -1.963 -2.804 -15.579
176 HB3 HIS 27 2HB HIS 27 -3.326 -2.746 -14.466
177 HD1 HIS 27 HD1 HIS 27 -5.640 -1.899 -15.551
178 HD2 HIS 27 HD2 HIS 27 -2.641 -2.978 -18.216
179 HE1 HIS 27 HE1 HIS 27 -6.793 -2.233 -17.761
180 H CYS 28 H CYS 28 -1.673 1.203 -13.712
181 HA CYS 28 HA CYS 28 -1.412 -0.252 -11.162
182 HB2 CYS 28 1HB CYS 28 0.640 0.850 -12.496
183 HB3 CYS 28 2HB CYS 28 0.113 2.262 -11.585
184 H PHE 29 H PHE 29 -2.867 2.365 -12.807
185 HA PHE 29 HA PHE 29 -3.844 3.461 -10.252
186 HB2 PHE 29 1HB PHE 29 -3.177 4.804 -12.854
187 HB3 PHE 29 2HB PHE 29 -4.335 5.535 -11.746
188 HD1 PHE 29 HD2 PHE 29 -1.038 3.825 -11.350
189 HD2 PHE 29 HD1 PHE 29 -3.421 7.261 -10.558
190 HE1 PHE 29 HE2 PHE 29 0.817 4.812 -10.070
191 HE2 PHE 29 HE1 PHE 29 -1.570 8.255 -9.279
192 HZ PHE 29 HZ PHE 29 0.553 7.030 -9.032
193 H GLY 30 H GLY 30 -4.660 2.156 -13.352
194 HA2 GLY 30 1HA GLY 30 -6.708 1.175 -13.915
195 HA3 GLY 30 2HA GLY 30 -7.446 1.976 -12.536
196 H VAL 31 H VAL 31 -5.506 3.732 -14.839
197 HA VAL 31 HA VAL 31 -7.912 5.202 -15.656
198 HB VAL 31 HB VAL 31 -6.364 6.963 -16.420
199 HG11 VAL 31 1HG1 VAL 31 -5.530 6.342 -13.625
200 HG12 VAL 31 2HG1 VAL 31 -6.048 7.873 -14.333
201 HG13 VAL 31 3HG1 VAL 31 -7.236 6.619 -13.975
202 HG21 VAL 31 3HG2 VAL 31 -4.438 5.632 -16.995
203 HG22 VAL 31 1HG2 VAL 31 -3.977 6.813 -15.768
204 HG23 VAL 31 2HG2 VAL 31 -4.239 5.128 -15.316
205 H LYS 32 H LYS 32 -5.155 3.421 -16.910
206 HA LYS 32 HA LYS 32 -5.410 4.008 -19.624
207 HB2 LYS 32 1HB LYS 32 -3.606 2.639 -18.326
208 HB3 LYS 32 2HB LYS 32 -4.641 1.264 -18.687
209 HG2 LYS 32 1HG LYS 32 -4.067 2.958 -21.000
210 HG3 LYS 32 2HG LYS 32 -2.644 2.196 -20.286
211 HD2 LYS 32 1HD LYS 32 -5.159 0.714 -21.046
212 HD3 LYS 32 2HD LYS 32 -3.738 0.852 -22.085
213 HE2 LYS 32 1HE LYS 32 -2.430 -0.117 -20.114
214 HE3 LYS 32 2HE LYS 32 -4.000 -0.546 -19.438
215 HZ1 LYS 32 3HZ LYS 32 -2.533 -2.011 -21.236
216 HZ2 LYS 32 1HZ LYS 32 -3.788 -1.350 -22.159
217 HZ3 LYS 32 2HZ LYS 32 -4.143 -2.281 -20.792
218 H HIS 33 H HIS 33 -6.429 2.927 -21.342
219 HA HIS 33 HA HIS 33 -8.330 0.820 -20.800
220 HB2 HIS 33 1HB HIS 33 -9.508 2.989 -20.222
221 HB3 HIS 33 2HB HIS 33 -9.377 3.420 -21.924
222 HD1 HIS 33 HD1 HIS 33 -12.058 3.440 -21.791
223 HD2 HIS 33 HD2 HIS 33 -10.232 -0.275 -21.432
224 HE1 HIS 33 HE1 HIS 33 -13.877 1.754 -22.209
225 H SER 34 H SER 34 -8.107 -0.550 -22.428
226 HA SER 34 HA SER 34 -7.686 0.528 -25.136
227 HB2 SER 34 1HB SER 34 -6.126 -1.280 -25.620
228 HB3 SER 34 2HB SER 34 -5.565 -0.376 -24.214
229 HG SER 34 HG SER 34 -5.419 -2.565 -23.771
230 H SER 35 H SER 35 -8.112 -1.212 -26.833
231 HA SER 35 HA SER 35 -10.712 -2.371 -26.247
232 HB2 SER 35 1HB SER 35 -10.769 -1.287 -28.309
233 HB3 SER 35 2HB SER 35 -9.151 -1.830 -28.752
234 HG SER 35 HG SER 35 -11.438 -2.921 -29.432
235 H GLY 36 H GLY 36 -7.467 -3.414 -27.157
236 HA2 GLY 36 1HA GLY 36 -8.270 -6.206 -27.247
237 HA3 GLY 36 2HA GLY 36 -6.657 -5.573 -27.540
238 H GLY 37 H GLY 37 -5.174 -5.881 -26.008
239 HA2 GLY 37 1HA GLY 37 -6.084 -6.275 -23.235
240 HA3 GLY 37 2HA GLY 37 -5.037 -7.472 -23.984
241 H GLY 38 H GLY 38 -3.210 -5.966 -25.320
242 HA2 GLY 38 1HA GLY 38 -1.211 -4.889 -24.979
243 HA3 GLY 38 2HA GLY 38 -2.153 -3.734 -24.047
244 H GLY 39 H GLY 39 -0.457 -3.429 -22.567
245 HA2 GLY 39 1HA GLY 39 0.728 -3.833 -20.644
246 HA3 GLY 39 2HA GLY 39 -0.558 -4.962 -20.245
247 H SER 40 H SER 40 1.943 -4.977 -22.779
248 HA SER 40 HA SER 40 2.990 -7.469 -21.622
249 HB2 SER 40 1HB SER 40 1.417 -7.642 -23.749
250 HB3 SER 40 2HB SER 40 2.896 -7.190 -24.597
251 HG SER 40 HG SER 40 2.811 -9.305 -22.720
252 H TYR 41 H TYR 41 5.161 -8.039 -22.537
253 HA TYR 41 HA TYR 41 6.685 -5.711 -23.449
254 HB2 TYR 41 1HB TYR 41 6.715 -6.186 -20.843
255 HB3 TYR 41 2HB TYR 41 7.897 -7.404 -21.309
256 HD1 TYR 41 HD2 TYR 41 10.063 -6.757 -22.211
257 HD2 TYR 41 HD1 TYR 41 7.209 -3.820 -21.057
258 HE1 TYR 41 HE2 TYR 41 11.819 -5.036 -22.270
259 HE2 TYR 41 HE1 TYR 41 8.957 -2.090 -21.115
260 HH TYR 41 HH TYR 41 12.283 -2.846 -21.349
261 H HIS 42 H HIS 42 8.802 -6.266 -24.310
262 HA HIS 42 HA HIS 42 8.738 -8.878 -25.617
263 HB2 HIS 42 1HB HIS 42 10.160 -6.293 -26.171
264 HB3 HIS 42 2HB HIS 42 10.730 -7.792 -26.899
265 HD1 HIS 42 HD1 HIS 42 10.047 -6.382 -29.138
266 HD2 HIS 42 HD2 HIS 42 6.942 -7.802 -26.770
267 HE1 HIS 42 HE1 HIS 42 8.005 -6.330 -30.605
268 H CYS 43 H CYS 43 9.386 -8.902 -22.883
269 HA CYS 43 HA CYS 43 12.164 -8.896 -22.387
270 HB2 CYS 43 1HB CYS 43 10.500 -8.786 -20.587
271 HB3 CYS 43 2HB CYS 43 9.965 -10.419 -20.973
272 H1 NAG 101 H1 NAG 100 5.546 19.499 -21.067
273 H2 NAG 101 HC2 NAG 100 7.511 19.705 -18.719
274 H3 NAG 101 HC3 NAG 100 6.474 21.837 -20.675
275 H4 NAG 101 HC4 NAG 100 9.243 20.508 -20.502
276 H5 NAG 101 H5 NAG 100 6.961 20.153 -22.527
277 H61 NAG 101 1H6 NAG 100 9.246 20.186 -23.567
278 H62 NAG 101 2H6 NAG 100 9.799 18.968 -22.409
279 H81 NAG 101 3H8 NAG 100 4.045 21.359 -16.555
280 H82 NAG 101 1H8 NAG 100 3.189 19.859 -17.046
281 H83 NAG 101 2H8 NAG 100 4.220 19.864 -15.576
282 HN2 NAG 101 H2 NAG 100 5.000 21.276 -18.861
283 HO3 NAG 101 H3 NAG 100 8.185 23.073 -19.667
284 HO4 NAG 101 H4 NAG 100 9.771 21.866 -22.131
285 HO6 NAG 101 HO6 NAG 100 7.783 17.714 -23.271
286 H1 NAG 102 H1 NAG 200 11.786 -11.088 -17.923
287 H2 NAG 102 HC2 NAG 200 14.714 -11.313 -17.028
288 H3 NAG 102 HC3 NAG 200 12.097 -11.435 -15.420
289 H4 NAG 102 HC4 NAG 200 14.216 -9.209 -15.562
290 H5 NAG 102 H5 NAG 200 11.379 -9.366 -16.727
291 H61 NAG 102 1H6 NAG 200 11.961 -7.118 -15.773
292 H62 NAG 102 2H6 NAG 200 13.463 -7.102 -16.708
293 H81 NAG 102 3H8 NAG 200 14.001 -15.496 -18.965
294 H82 NAG 102 1H8 NAG 200 15.031 -15.734 -17.514
295 H83 NAG 102 2H8 NAG 200 13.256 -15.533 -17.331
296 HN2 NAG 102 H2 NAG 200 12.717 -13.456 -16.563
297 HO3 NAG 102 H3 NAG 200 13.609 -11.292 -13.640
298 HO4 NAG 102 H4 NAG 200 12.977 -8.214 -14.061
299 HO6 NAG 102 HO6 NAG 200 11.883 -7.546 -18.627
Start of MODEL 2
1 H1 LYS 1 H LYS 1 2.888 -1.954 -2.915
2 HA LYS 1 HA LYS 1 2.290 -1.987 -5.626
3 HB2 LYS 1 1HB LYS 1 1.964 0.673 -4.312
4 HB3 LYS 1 2HB LYS 1 2.696 0.618 -5.911
5 HG2 LYS 1 1HG LYS 1 0.767 -0.135 -6.918
6 HG3 LYS 1 2HG LYS 1 0.120 -0.804 -5.418
7 HD2 LYS 1 1HD LYS 1 -0.360 1.391 -4.576
8 HD3 LYS 1 2HD LYS 1 0.471 2.146 -5.938
9 HE2 LYS 1 1HE LYS 1 -1.689 2.323 -6.657
10 HE3 LYS 1 2HE LYS 1 -1.281 0.746 -7.330
11 HZ1 LYS 1 3HZ LYS 1 -2.661 1.170 -4.735
12 HZ2 LYS 1 1HZ LYS 1 -2.345 -0.319 -5.473
13 HZ3 LYS 1 2HZ LYS 1 -3.434 0.763 -6.184
14 HA PRO 2 HA PRO 2 6.668 -1.905 -5.908
15 HB2 PRO 2 1HB PRO 2 7.076 -0.822 -8.363
16 HB3 PRO 2 2HB PRO 2 6.442 -2.455 -8.127
17 HG2 PRO 2 1HG PRO 2 4.970 0.079 -8.740
18 HG3 PRO 2 2HG PRO 2 4.739 -1.541 -9.421
19 HD2 PRO 2 1HD PRO 2 3.140 -0.535 -7.482
20 HD3 PRO 2 2HD PRO 2 3.514 -2.266 -7.609
21 H ALA 3 H ALA 3 8.459 -0.261 -6.971
22 HA ALA 3 HA ALA 3 8.238 2.118 -5.311
23 HB1 ALA 3 1HB ALA 3 10.590 2.384 -5.629
24 HB2 ALA 3 2HB ALA 3 10.279 0.681 -5.294
25 HB3 ALA 3 3HB ALA 3 10.600 1.210 -6.945
26 H TRP 4 H TRP 4 7.014 1.529 -8.148
27 HA TRP 4 HA TRP 4 7.997 3.950 -9.487
28 HB2 TRP 4 1HB TRP 4 6.046 2.215 -10.876
29 HB3 TRP 4 2HB TRP 4 7.511 2.979 -11.484
30 HD1 TRP 4 HD1 TRP 4 9.742 1.668 -9.810
31 HE1 TRP 4 HE1 TRP 4 10.243 -0.851 -9.978
32 HE3 TRP 4 HE3 TRP 4 5.252 0.067 -11.658
33 HZ2 TRP 4 HZ2 TRP 4 8.912 -3.205 -10.787
34 HZ3 TRP 4 HZ3 TRP 4 4.948 -2.334 -12.102
35 HH2 TRP 4 HH2 TRP 4 6.741 -3.934 -11.676
36 H CYS 5 H CYS 5 4.981 2.325 -8.544
37 HA CYS 5 HA CYS 5 3.464 4.754 -9.079
38 HB2 CYS 5 1HB CYS 5 2.382 2.181 -7.939
39 HB3 CYS 5 2HB CYS 5 1.507 3.441 -8.804
40 H TRP 6 H TRP 6 1.508 4.682 -7.185
41 HA TRP 6 HA TRP 6 2.706 4.639 -4.548
42 HB2 TRP 6 1HB TRP 6 2.965 6.976 -5.917
43 HB3 TRP 6 2HB TRP 6 1.417 7.233 -5.116
44 HD1 TRP 6 HD1 TRP 6 5.108 7.274 -4.487
45 HE1 TRP 6 HE1 TRP 6 5.565 7.823 -2.014
46 HE3 TRP 6 HE3 TRP 6 0.359 6.793 -2.656
47 HZ2 TRP 6 HZ2 TRP 6 4.106 8.025 0.394
48 HZ3 TRP 6 HZ3 TRP 6 -0.025 7.181 -0.257
49 HH2 TRP 6 HH2 TRP 6 1.811 7.783 1.235
50 H TYR 7 H TYR 7 -0.084 5.512 -6.544
51 HA TYR 7 HA TYR 7 -1.892 3.908 -5.143
52 HB2 TYR 7 1HB TYR 7 -1.296 6.118 -3.632
53 HB3 TYR 7 2HB TYR 7 -2.736 6.647 -4.496
54 HD1 TYR 7 HD2 TYR 7 -1.579 3.530 -2.773
55 HD2 TYR 7 HD1 TYR 7 -4.709 6.352 -3.356
56 HE1 TYR 7 HE2 TYR 7 -2.984 2.292 -1.178
57 HE2 TYR 7 HE1 TYR 7 -6.122 5.123 -1.762
58 HH TYR 7 HH TYR 7 -4.867 2.488 0.153
59 H THR 8 H THR 8 -4.267 5.256 -5.442
60 HA THR 8 HA THR 8 -4.393 5.522 -8.356
61 HB THR 8 HB THR 8 -6.791 5.370 -6.549
62 HG1 THR 8 HG1 THR 8 -5.215 3.207 -7.533
63 HG21 THR 8 3HG2 THR 8 -6.363 5.500 -9.352
64 HG22 THR 8 1HG2 THR 8 -7.891 5.344 -8.485
65 HG23 THR 8 2HG2 THR 8 -7.006 3.901 -8.979
66 H LEU 9 H LEU 9 -3.487 7.663 -6.481
67 HA LEU 9 HA LEU 9 -5.451 9.645 -6.198
68 HB2 LEU 9 1HB LEU 9 -2.504 9.529 -6.124
69 HB3 LEU 9 2HB LEU 9 -3.205 11.112 -6.450
70 HG LEU 9 HG LEU 9 -4.571 10.780 -4.333
71 HD11 LEU 9 1HD1 LEU 9 -4.042 8.282 -4.306
72 HD12 LEU 9 2HD1 LEU 9 -3.954 9.150 -2.774
73 HD13 LEU 9 3HD1 LEU 9 -2.475 8.747 -3.645
74 HD21 LEU 9 3HD2 LEU 9 -1.824 11.555 -4.714
75 HD22 LEU 9 1HD2 LEU 9 -2.074 10.915 -3.090
76 HD23 LEU 9 2HD2 LEU 9 -3.056 12.262 -3.667
77 H ALA 10 H ALA 10 -3.536 8.658 -8.923
78 HA ALA 10 HA ALA 10 -3.592 9.240 -11.123
79 HB1 ALA 10 1HB ALA 10 -6.117 9.211 -10.535
80 HB2 ALA 10 2HB ALA 10 -5.987 10.967 -10.652
81 HB3 ALA 10 3HB ALA 10 -5.588 9.959 -12.043
82 H MET 11 H MET 11 -1.675 10.527 -10.096
83 HA MET 11 HA MET 11 -1.888 13.340 -9.868
84 HB2 MET 11 1HB MET 11 0.491 11.549 -10.369
85 HB3 MET 11 2HB MET 11 0.618 13.279 -10.084
86 HG2 MET 11 1HG MET 11 -0.198 13.068 -7.874
87 HG3 MET 11 2HG MET 11 -0.693 11.399 -8.145
88 HE1 MET 11 3HE MET 11 0.302 9.621 -7.708
89 HE2 MET 11 1HE MET 11 2.021 9.230 -7.645
90 HE3 MET 11 2HE MET 11 1.205 9.854 -6.211
91 H CYS 12 H CYS 12 0.051 11.644 -12.321
92 HA CYS 12 HA CYS 12 0.204 13.721 -14.130
93 HB2 CYS 12 1HB CYS 12 0.929 12.128 -15.744
94 HB3 CYS 12 2HB CYS 12 1.478 11.535 -14.180
95 H GLY 13 H GLY 13 -0.846 14.071 -16.186
96 HA2 GLY 13 1HA GLY 13 -2.648 13.880 -17.691
97 HA3 GLY 13 2HA GLY 13 -3.497 12.889 -16.514
98 H ALA 14 H ALA 14 -2.760 14.992 -14.431
99 HA ALA 14 HA ALA 14 -4.928 16.862 -15.124
100 HB1 ALA 14 1HB ALA 14 -5.253 17.128 -12.690
101 HB2 ALA 14 2HB ALA 14 -5.504 15.470 -13.239
102 HB3 ALA 14 3HB ALA 14 -4.008 15.910 -12.416
103 H GLY 15 H GLY 15 -2.027 17.095 -15.754
104 HA2 GLY 15 1HA GLY 15 -0.968 19.231 -16.049
105 HA3 GLY 15 2HA GLY 15 -1.632 19.729 -14.500
106 H TYR 16 H TYR 16 -0.793 16.925 -13.521
107 HA TYR 16 HA TYR 16 1.545 17.700 -12.207
108 HB2 TYR 16 1HB TYR 16 0.001 15.210 -12.517
109 HB3 TYR 16 2HB TYR 16 1.705 14.977 -12.141
110 HD1 TYR 16 HD1 TYR 16 2.639 15.843 -10.030
111 HD2 TYR 16 HD2 TYR 16 -1.519 16.104 -10.892
112 HE1 TYR 16 HE1 TYR 16 2.181 16.286 -7.655
113 HE2 TYR 16 HE2 TYR 16 -1.989 16.549 -8.520
114 HH TYR 16 HH TYR 16 -1.024 17.166 -6.535
115 H ASP 17 H ASP 17 1.060 16.074 -15.267
116 HA ASP 17 HA ASP 17 3.976 16.115 -15.688
117 HB2 ASP 17 1HB ASP 17 1.974 14.093 -16.715
118 HB3 ASP 17 2HB ASP 17 3.667 14.158 -17.197
119 H SER 18 H SER 18 4.210 15.672 -18.298
120 HA SER 18 HA SER 18 3.150 18.106 -19.447
121 HB2 SER 18 1HB SER 18 5.203 16.084 -20.279
122 HB3 SER 18 2HB SER 18 4.544 17.201 -21.475
123 H GLY 19 H GLY 19 0.925 17.233 -19.265
124 HA2 GLY 19 1HA GLY 19 -0.128 15.124 -18.877
125 HA3 GLY 19 2HA GLY 19 -0.577 15.565 -20.518
126 H THR 20 H THR 20 1.806 13.759 -18.624
127 HA THR 20 HA THR 20 1.802 11.672 -20.641
128 HB THR 20 HB THR 20 3.620 13.282 -21.317
129 HG1 THR 20 HG1 THR 20 3.577 10.821 -21.559
130 HG21 THR 20 3HG2 THR 20 4.937 12.265 -18.796
131 HG22 THR 20 1HG2 THR 20 4.348 13.907 -19.051
132 HG23 THR 20 2HG2 THR 20 5.686 13.289 -20.020
133 H CYS 21 H CYS 21 2.159 9.679 -19.796
134 HA CYS 21 HA CYS 21 3.129 9.513 -17.024
135 HB2 CYS 21 1HB CYS 21 0.855 7.831 -18.076
136 HB3 CYS 21 2HB CYS 21 1.404 7.987 -16.410
137 H ASP 22 H ASP 22 3.160 6.887 -16.585
138 HA ASP 22 HA ASP 22 4.262 5.450 -18.838
139 HB2 ASP 22 1HB ASP 22 5.975 6.815 -16.929
140 HB3 ASP 22 2HB ASP 22 6.277 5.079 -16.948
141 H TYR 23 H TYR 23 4.820 5.130 -15.345
142 HA TYR 23 HA TYR 23 4.208 2.378 -15.312
143 HB2 TYR 23 1HB TYR 23 4.087 4.198 -12.910
144 HB3 TYR 23 2HB TYR 23 4.494 2.486 -12.956
145 HD1 TYR 23 HD2 TYR 23 6.545 2.107 -14.808
146 HD2 TYR 23 HD1 TYR 23 5.880 5.530 -12.370
147 HE1 TYR 23 HE2 TYR 23 8.933 2.675 -14.964
148 HE2 TYR 23 HE1 TYR 23 8.266 6.108 -12.520
149 HH TYR 23 HH TYR 23 10.573 3.981 -14.139
150 H MET 24 H MET 24 2.246 5.214 -15.045
151 HA MET 24 HA MET 24 0.028 4.133 -13.693
152 HB2 MET 24 1HB MET 24 0.304 6.407 -15.650
153 HB3 MET 24 2HB MET 24 -1.235 5.990 -14.910
154 HG2 MET 24 1HG MET 24 -0.534 7.595 -13.467
155 HG3 MET 24 2HG MET 24 0.161 6.175 -12.691
156 HE1 MET 24 3HE MET 24 2.642 6.814 -11.574
157 HE2 MET 24 1HE MET 24 2.409 5.463 -12.685
158 HE3 MET 24 2HE MET 24 3.813 6.516 -12.860
159 H TYR 25 H TYR 25 0.824 4.317 -17.141
160 HA TYR 25 HA TYR 25 -1.598 3.184 -18.066
161 HB2 TYR 25 1HB TYR 25 1.124 3.575 -19.272
162 HB3 TYR 25 2HB TYR 25 -0.106 2.655 -20.131
163 HD1 TYR 25 HD1 TYR 25 -0.093 5.841 -18.164
164 HD2 TYR 25 HD2 TYR 25 -1.100 3.881 -21.804
165 HE1 TYR 25 HE1 TYR 25 -1.052 7.938 -19.021
166 HE2 TYR 25 HE2 TYR 25 -2.061 5.972 -22.671
167 HH TYR 25 HH TYR 25 -1.511 8.961 -21.288
168 H SER 26 H SER 26 0.955 1.831 -16.368
169 HA SER 26 HA SER 26 0.773 -0.812 -17.546
170 HB2 SER 26 1HB SER 26 2.901 0.230 -16.567
171 HB3 SER 26 2HB SER 26 2.198 -0.101 -14.983
172 HG SER 26 HG SER 26 3.380 -1.803 -16.747
173 H HIS 27 H HIS 27 -1.641 0.317 -16.423
174 HA HIS 27 HA HIS 27 -3.400 -0.244 -15.089
175 HB2 HIS 27 1HB HIS 27 -2.611 -2.508 -16.252
176 HB3 HIS 27 2HB HIS 27 -2.269 -2.955 -14.583
177 HD1 HIS 27 HD1 HIS 27 -4.430 -2.617 -12.914
178 HD2 HIS 27 HD2 HIS 27 -5.181 -2.937 -16.988
179 HE1 HIS 27 HE1 HIS 27 -6.864 -3.219 -13.103
180 H CYS 28 H CYS 28 -1.681 1.209 -13.691
181 HA CYS 28 HA CYS 28 -1.419 -0.183 -11.105
182 HB2 CYS 28 1HB CYS 28 0.637 0.875 -12.473
183 HB3 CYS 28 2HB CYS 28 0.121 2.309 -11.592
184 H PHE 29 H PHE 29 -2.842 2.416 -12.816
185 HA PHE 29 HA PHE 29 -3.833 3.562 -10.288
186 HB2 PHE 29 1HB PHE 29 -3.101 4.867 -12.891
187 HB3 PHE 29 2HB PHE 29 -4.267 5.627 -11.813
188 HD1 PHE 29 HD2 PHE 29 -0.997 3.881 -11.357
189 HD2 PHE 29 HD1 PHE 29 -3.358 7.343 -10.609
190 HE1 PHE 29 HE2 PHE 29 0.850 4.855 -10.055
191 HE2 PHE 29 HE1 PHE 29 -1.515 8.322 -9.306
192 HZ PHE 29 HZ PHE 29 0.592 7.078 -9.026
193 H GLY 30 H GLY 30 -4.620 2.294 -13.423
194 HA2 GLY 30 1HA GLY 30 -6.663 1.357 -14.056
195 HA3 GLY 30 2HA GLY 30 -7.407 2.079 -12.637
196 H VAL 31 H VAL 31 -5.483 3.877 -14.953
197 HA VAL 31 HA VAL 31 -7.872 5.452 -15.609
198 HB VAL 31 HB VAL 31 -6.301 7.178 -16.405
199 HG11 VAL 31 1HG1 VAL 31 -6.418 6.184 -13.643
200 HG12 VAL 31 2HG1 VAL 31 -5.096 7.304 -13.979
201 HG13 VAL 31 3HG1 VAL 31 -6.764 7.788 -14.290
202 HG21 VAL 31 3HG2 VAL 31 -3.892 6.930 -15.879
203 HG22 VAL 31 1HG2 VAL 31 -4.192 5.246 -15.449
204 HG23 VAL 31 2HG2 VAL 31 -4.454 5.793 -17.105
205 H LYS 32 H LYS 32 -5.249 3.608 -17.044
206 HA LYS 32 HA LYS 32 -5.695 4.284 -19.735
207 HB2 LYS 32 1HB LYS 32 -3.714 3.027 -18.693
208 HB3 LYS 32 2HB LYS 32 -4.719 1.589 -18.810
209 HG2 LYS 32 1HG LYS 32 -4.858 1.840 -21.213
210 HG3 LYS 32 2HG LYS 32 -3.937 3.344 -21.130
211 HD2 LYS 32 1HD LYS 32 -2.384 1.687 -21.763
212 HD3 LYS 32 2HD LYS 32 -2.088 1.977 -20.047
213 HE2 LYS 32 1HE LYS 32 -2.933 -0.058 -19.419
214 HE3 LYS 32 2HE LYS 32 -4.011 -0.161 -20.810
215 HZ1 LYS 32 3HZ LYS 32 -1.062 -0.504 -20.889
216 HZ2 LYS 32 1HZ LYS 32 -2.106 -0.621 -22.215
217 HZ3 LYS 32 2HZ LYS 32 -2.199 -1.754 -20.962
218 H HIS 33 H HIS 33 -6.626 2.939 -21.423
219 HA HIS 33 HA HIS 33 -8.404 1.888 -22.378
220 HB2 HIS 33 1HB HIS 33 -7.234 -0.029 -21.164
221 HB3 HIS 33 2HB HIS 33 -8.474 0.135 -19.925
222 HD1 HIS 33 HD1 HIS 33 -9.676 -2.046 -20.330
223 HD2 HIS 33 HD2 HIS 33 -9.283 0.246 -23.773
224 HE1 HIS 33 HE1 HIS 33 -11.104 -3.182 -22.060
225 H SER 34 H SER 34 -8.942 4.169 -20.710
226 HA SER 34 HA SER 34 -11.500 3.512 -19.448
227 HB2 SER 34 1HB SER 34 -10.079 4.869 -18.070
228 HB3 SER 34 2HB SER 34 -9.788 6.004 -19.388
229 HG SER 34 HG SER 34 -11.384 7.025 -18.444
230 H SER 35 H SER 35 -13.405 4.730 -19.929
231 HA SER 35 HA SER 35 -13.989 4.957 -22.637
232 HB2 SER 35 1HB SER 35 -15.447 6.506 -20.497
233 HB3 SER 35 2HB SER 35 -16.099 5.829 -21.989
234 HG SER 35 HG SER 35 -16.226 4.701 -19.711
235 H GLY 36 H GLY 36 -14.558 6.848 -23.902
236 HA2 GLY 36 1HA GLY 36 -14.467 9.219 -24.272
237 HA3 GLY 36 2HA GLY 36 -13.196 9.318 -23.062
238 H GLY 37 H GLY 37 -11.115 8.237 -23.626
239 HA2 GLY 37 1HA GLY 37 -10.646 8.193 -26.535
240 HA3 GLY 37 2HA GLY 37 -9.626 9.177 -25.496
241 H GLY 38 H GLY 38 -9.014 6.851 -27.257
242 HA2 GLY 38 1HA GLY 38 -8.004 4.965 -25.228
243 HA3 GLY 38 2HA GLY 38 -8.259 4.579 -26.923
244 H GLY 39 H GLY 39 -5.884 3.924 -25.774
245 HA2 GLY 39 1HA GLY 39 -4.008 5.097 -27.490
246 HA3 GLY 39 2HA GLY 39 -3.869 5.887 -25.926
247 H SER 40 H SER 40 -2.137 3.959 -27.539
248 HA SER 40 HA SER 40 -1.942 1.714 -25.688
249 HB2 SER 40 1HB SER 40 -0.609 2.342 -28.322
250 HB3 SER 40 2HB SER 40 -0.110 0.983 -27.314
251 HG SER 40 HG SER 40 -1.615 0.161 -28.671
252 H TYR 41 H TYR 41 0.532 3.766 -27.225
253 HA TYR 41 HA TYR 41 1.656 4.443 -24.639
254 HB2 TYR 41 1HB TYR 41 2.589 2.155 -25.592
255 HB3 TYR 41 2HB TYR 41 3.582 3.229 -26.572
256 HD1 TYR 41 HD2 TYR 41 5.266 4.661 -25.531
257 HD2 TYR 41 HD1 TYR 41 2.922 1.979 -23.203
258 HE1 TYR 41 HE2 TYR 41 6.838 4.921 -23.658
259 HE2 TYR 41 HE1 TYR 41 4.487 2.233 -21.323
260 HH TYR 41 HH TYR 41 7.150 2.933 -21.228
261 H HIS 42 H HIS 42 3.375 6.042 -24.794
262 HA HIS 42 HA HIS 42 2.961 7.786 -27.102
263 HB2 HIS 42 1HB HIS 42 4.022 8.207 -24.324
264 HB3 HIS 42 2HB HIS 42 4.348 9.387 -25.590
265 HD1 HIS 42 HD1 HIS 42 1.046 7.630 -25.421
266 HD2 HIS 42 HD2 HIS 42 2.696 11.312 -24.428
267 HE1 HIS 42 HE1 HIS 42 -0.908 9.122 -24.893
268 H CYS 43 H CYS 43 4.503 5.487 -27.577
269 HA CYS 43 HA CYS 43 7.295 6.096 -27.426
270 HB2 CYS 43 1HB CYS 43 7.596 4.091 -28.797
271 HB3 CYS 43 2HB CYS 43 6.481 3.777 -27.471
272 H1 NAG 101 H1 NAG 100 5.424 19.754 -20.948
273 H2 NAG 101 HC2 NAG 100 7.486 19.690 -18.675
274 H3 NAG 101 HC3 NAG 100 6.364 22.035 -20.316
275 H4 NAG 101 HC4 NAG 100 9.140 20.714 -20.418
276 H5 NAG 101 H5 NAG 100 6.777 20.588 -22.376
277 H61 NAG 101 1H6 NAG 100 9.016 20.762 -23.498
278 H62 NAG 101 2H6 NAG 100 9.619 19.417 -22.518
279 H81 NAG 101 3H8 NAG 100 4.234 21.009 -16.020
280 H82 NAG 101 1H8 NAG 100 3.225 19.810 -16.897
281 H83 NAG 101 2H8 NAG 100 4.216 19.292 -15.492
282 HN2 NAG 101 H2 NAG 100 4.968 21.251 -18.524
283 HO3 NAG 101 H3 NAG 100 8.113 23.153 -19.238
284 HO4 NAG 101 H4 NAG 100 9.597 22.261 -21.893
285 HO6 NAG 101 HO6 NAG 100 7.572 18.262 -23.441
286 H1 NAG 102 H1 NAG 200 6.353 2.260 -30.608
287 H2 NAG 102 HC2 NAG 200 6.798 0.222 -28.355
288 H3 NAG 102 HC3 NAG 200 7.137 -0.029 -31.401
289 H4 NAG 102 HC4 NAG 200 4.970 -1.204 -29.559
290 H5 NAG 102 H5 NAG 200 4.856 1.096 -31.591
291 H61 NAG 102 1H6 NAG 200 2.822 -0.376 -31.609
292 H62 NAG 102 2H6 NAG 200 2.679 -0.211 -29.853
293 H81 NAG 102 3H8 NAG 200 10.993 1.534 -27.368
294 H82 NAG 102 1H8 NAG 200 10.971 1.485 -29.163
295 H83 NAG 102 2H8 NAG 200 10.539 3.000 -28.301
296 HN2 NAG 102 H2 NAG 200 8.942 1.044 -30.233
297 HO3 NAG 102 H3 NAG 200 7.340 -2.288 -30.826
298 HO4 NAG 102 H4 NAG 200 4.222 -2.150 -31.381
299 HO6 NAG 102 HO6 NAG 200 2.746 2.250 -30.412
Start of MODEL 3
1 H1 LYS 1 H LYS 1 1.569 -2.190 -3.382
2 HA LYS 1 HA LYS 1 2.330 -1.842 -5.512
3 HB2 LYS 1 1HB LYS 1 1.794 0.755 -4.253
4 HB3 LYS 1 2HB LYS 1 2.843 0.852 -5.662
5 HG2 LYS 1 1HG LYS 1 1.199 0.260 -7.101
6 HG3 LYS 1 2HG LYS 1 0.399 -0.791 -5.930
7 HD2 LYS 1 1HD LYS 1 0.086 1.683 -4.800
8 HD3 LYS 1 2HD LYS 1 -0.037 2.041 -6.525
9 HE2 LYS 1 1HE LYS 1 -1.924 0.750 -6.793
10 HE3 LYS 1 2HE LYS 1 -1.548 -0.276 -5.410
11 HZ1 LYS 1 3HZ LYS 1 -2.981 2.239 -5.510
12 HZ2 LYS 1 1HZ LYS 1 -1.896 2.086 -4.221
13 HZ3 LYS 1 2HZ LYS 1 -3.131 0.948 -4.427
14 HA PRO 2 HA PRO 2 6.706 -1.785 -5.830
15 HB2 PRO 2 1HB PRO 2 7.096 -0.782 -8.322
16 HB3 PRO 2 2HB PRO 2 6.459 -2.405 -8.029
17 HG2 PRO 2 1HG PRO 2 4.989 0.113 -8.709
18 HG3 PRO 2 2HG PRO 2 4.748 -1.528 -9.337
19 HD2 PRO 2 1HD PRO 2 3.168 -0.456 -7.416
20 HD3 PRO 2 2HD PRO 2 3.536 -2.191 -7.491
21 H ALA 3 H ALA 3 8.483 -0.173 -6.983
22 HA ALA 3 HA ALA 3 8.299 2.249 -5.381
23 HB1 ALA 3 1HB ALA 3 10.661 1.548 -7.074
24 HB2 ALA 3 2HB ALA 3 10.600 2.408 -5.534
25 HB3 ALA 3 3HB ALA 3 10.344 0.663 -5.581
26 H TRP 4 H TRP 4 7.019 1.581 -8.181
27 HA TRP 4 HA TRP 4 7.944 3.995 -9.576
28 HB2 TRP 4 1HB TRP 4 6.044 2.208 -10.954
29 HB3 TRP 4 2HB TRP 4 7.520 2.963 -11.550
30 HD1 TRP 4 HD1 TRP 4 9.741 1.693 -9.863
31 HE1 TRP 4 HE1 TRP 4 10.241 -0.830 -9.953
32 HE3 TRP 4 HE3 TRP 4 5.240 0.036 -11.634
33 HZ2 TRP 4 HZ2 TRP 4 8.905 -3.208 -10.679
34 HZ3 TRP 4 HZ3 TRP 4 4.933 -2.378 -12.000
35 HH2 TRP 4 HH2 TRP 4 6.729 -3.964 -11.532
36 H CYS 5 H CYS 5 5.018 2.326 -8.482
37 HA CYS 5 HA CYS 5 3.415 4.694 -9.089
38 HB2 CYS 5 1HB CYS 5 2.415 2.095 -7.931
39 HB3 CYS 5 2HB CYS 5 1.495 3.329 -8.786
40 H TRP 6 H TRP 6 1.468 4.586 -7.189
41 HA TRP 6 HA TRP 6 2.668 4.589 -4.554
42 HB2 TRP 6 1HB TRP 6 2.855 6.928 -5.956
43 HB3 TRP 6 2HB TRP 6 1.330 7.153 -5.104
44 HD1 TRP 6 HD1 TRP 6 5.015 7.374 -4.615
45 HE1 TRP 6 HE1 TRP 6 5.551 7.894 -2.152
46 HE3 TRP 6 HE3 TRP 6 0.395 6.550 -2.587
47 HZ2 TRP 6 HZ2 TRP 6 4.196 7.947 0.323
48 HZ3 TRP 6 HZ3 TRP 6 0.100 6.856 -0.163
49 HH2 TRP 6 HH2 TRP 6 1.962 7.540 1.260
50 H TYR 7 H TYR 7 -0.159 5.728 -6.402
51 HA TYR 7 HA TYR 7 -1.935 4.003 -4.992
52 HB2 TYR 7 1HB TYR 7 -1.369 6.276 -3.587
53 HB3 TYR 7 2HB TYR 7 -2.789 6.777 -4.498
54 HD1 TYR 7 HD2 TYR 7 -1.780 3.610 -2.777
55 HD2 TYR 7 HD1 TYR 7 -4.695 6.678 -3.212
56 HE1 TYR 7 HE2 TYR 7 -3.223 2.462 -1.150
57 HE2 TYR 7 HE1 TYR 7 -6.146 5.539 -1.585
58 HH TYR 7 HH TYR 7 -5.310 2.373 -0.280
59 H THR 8 H THR 8 -4.328 5.299 -5.362
60 HA THR 8 HA THR 8 -4.453 5.415 -8.287
61 HB THR 8 HB THR 8 -6.851 5.296 -6.476
62 HG1 THR 8 HG1 THR 8 -6.592 2.910 -6.967
63 HG21 THR 8 3HG2 THR 8 -6.320 5.098 -9.327
64 HG22 THR 8 1HG2 THR 8 -7.844 5.361 -8.481
65 HG23 THR 8 2HG2 THR 8 -7.240 3.722 -8.720
66 H LEU 9 H LEU 9 -3.593 7.662 -6.524
67 HA LEU 9 HA LEU 9 -5.641 9.608 -6.407
68 HB2 LEU 9 1HB LEU 9 -2.702 9.562 -6.110
69 HB3 LEU 9 2HB LEU 9 -3.422 11.118 -6.518
70 HG LEU 9 HG LEU 9 -4.936 10.759 -4.495
71 HD11 LEU 9 1HD1 LEU 9 -4.357 9.194 -2.867
72 HD12 LEU 9 2HD1 LEU 9 -2.784 8.876 -3.596
73 HD13 LEU 9 3HD1 LEU 9 -4.252 8.291 -4.378
74 HD21 LEU 9 3HD2 LEU 9 -3.541 12.074 -3.313
75 HD22 LEU 9 1HD2 LEU 9 -2.584 12.050 -4.795
76 HD23 LEU 9 2HD2 LEU 9 -2.183 10.958 -3.469
77 H ALA 10 H ALA 10 -3.464 8.588 -8.924
78 HA ALA 10 HA ALA 10 -3.337 9.101 -11.138
79 HB1 ALA 10 1HB ALA 10 -5.917 9.001 -10.747
80 HB2 ALA 10 2HB ALA 10 -5.822 10.746 -10.985
81 HB3 ALA 10 3HB ALA 10 -5.272 9.652 -12.254
82 H MET 11 H MET 11 -1.573 10.501 -10.013
83 HA MET 11 HA MET 11 -1.883 13.288 -9.821
84 HB2 MET 11 1HB MET 11 0.671 11.821 -10.490
85 HB3 MET 11 2HB MET 11 0.518 13.399 -9.729
86 HG2 MET 11 1HG MET 11 0.606 12.413 -7.757
87 HG3 MET 11 2HG MET 11 -0.925 11.620 -8.118
88 HE1 MET 11 3HE MET 11 -0.645 9.978 -6.679
89 HE2 MET 11 1HE MET 11 -0.121 8.395 -7.254
90 HE3 MET 11 2HE MET 11 0.940 9.353 -6.220
91 H CYS 12 H CYS 12 0.017 11.584 -12.313
92 HA CYS 12 HA CYS 12 0.208 13.697 -14.091
93 HB2 CYS 12 1HB CYS 12 0.883 12.106 -15.737
94 HB3 CYS 12 2HB CYS 12 1.456 11.504 -14.185
95 H GLY 13 H GLY 13 -0.842 14.051 -16.160
96 HA2 GLY 13 1HA GLY 13 -2.663 13.899 -17.646
97 HA3 GLY 13 2HA GLY 13 -3.524 12.933 -16.457
98 H ALA 14 H ALA 14 -2.728 15.019 -14.385
99 HA ALA 14 HA ALA 14 -4.859 16.936 -15.066
100 HB1 ALA 14 1HB ALA 14 -5.099 17.236 -12.605
101 HB2 ALA 14 2HB ALA 14 -5.474 15.607 -13.171
102 HB3 ALA 14 3HB ALA 14 -3.932 15.932 -12.380
103 H GLY 15 H GLY 15 -1.961 17.103 -15.734
104 HA2 GLY 15 1HA GLY 15 -0.871 19.222 -16.059
105 HA3 GLY 15 2HA GLY 15 -1.491 19.733 -14.496
106 H TYR 16 H TYR 16 -0.724 17.016 -13.400
107 HA TYR 16 HA TYR 16 1.661 17.711 -12.181
108 HB2 TYR 16 1HB TYR 16 0.087 15.232 -12.476
109 HB3 TYR 16 2HB TYR 16 1.788 14.996 -12.089
110 HD1 TYR 16 HD2 TYR 16 -1.373 16.494 -10.922
111 HD2 TYR 16 HD1 TYR 16 2.649 15.528 -9.925
112 HE1 TYR 16 HE2 TYR 16 -1.853 16.962 -8.555
113 HE2 TYR 16 HE1 TYR 16 2.179 15.991 -7.556
114 HH TYR 16 HH TYR 16 0.411 17.498 -6.290
115 H ASP 17 H ASP 17 1.104 16.118 -15.240
116 HA ASP 17 HA ASP 17 4.014 16.107 -15.703
117 HB2 ASP 17 1HB ASP 17 1.978 14.100 -16.693
118 HB3 ASP 17 2HB ASP 17 3.669 14.142 -17.185
119 H SER 18 H SER 18 4.206 15.652 -18.311
120 HA SER 18 HA SER 18 3.146 18.086 -19.459
121 HB2 SER 18 1HB SER 18 5.099 16.001 -20.423
122 HB3 SER 18 2HB SER 18 4.519 17.289 -21.479
123 H GLY 19 H GLY 19 0.917 17.236 -19.238
124 HA2 GLY 19 1HA GLY 19 -0.148 15.138 -18.819
125 HA3 GLY 19 2HA GLY 19 -0.621 15.575 -20.454
126 H THR 20 H THR 20 1.785 13.763 -18.596
127 HA THR 20 HA THR 20 1.727 11.665 -20.604
128 HB THR 20 HB THR 20 3.555 13.255 -21.305
129 HG1 THR 20 HG1 THR 20 4.988 11.535 -21.711
130 HG21 THR 20 3HG2 THR 20 4.887 12.230 -18.795
131 HG22 THR 20 1HG2 THR 20 4.318 13.879 -19.052
132 HG23 THR 20 2HG2 THR 20 5.636 13.238 -20.032
133 H CYS 21 H CYS 21 2.102 9.667 -19.767
134 HA CYS 21 HA CYS 21 3.076 9.504 -16.997
135 HB2 CYS 21 1HB CYS 21 0.811 7.810 -18.048
136 HB3 CYS 21 2HB CYS 21 1.357 7.972 -16.382
137 H ASP 22 H ASP 22 3.166 6.902 -16.537
138 HA ASP 22 HA ASP 22 4.277 5.476 -18.803
139 HB2 ASP 22 1HB ASP 22 5.952 6.816 -16.838
140 HB3 ASP 22 2HB ASP 22 6.263 5.083 -16.891
141 H TYR 23 H TYR 23 4.774 5.118 -15.304
142 HA TYR 23 HA TYR 23 4.169 2.364 -15.312
143 HB2 TYR 23 1HB TYR 23 4.000 4.160 -12.895
144 HB3 TYR 23 2HB TYR 23 4.406 2.448 -12.948
145 HD1 TYR 23 HD2 TYR 23 6.512 2.019 -14.662
146 HD2 TYR 23 HD1 TYR 23 5.764 5.549 -12.406
147 HE1 TYR 23 HE2 TYR 23 8.903 2.586 -14.767
148 HE2 TYR 23 HE1 TYR 23 8.152 6.126 -12.506
149 HH TYR 23 HH TYR 23 10.139 5.437 -14.314
150 H MET 24 H MET 24 2.192 5.189 -15.059
151 HA MET 24 HA MET 24 -0.047 4.094 -13.756
152 HB2 MET 24 1HB MET 24 0.270 6.379 -15.694
153 HB3 MET 24 2HB MET 24 -1.292 5.948 -15.011
154 HG2 MET 24 1HG MET 24 -0.643 7.557 -13.543
155 HG3 MET 24 2HG MET 24 0.008 6.129 -12.742
156 HE1 MET 24 3HE MET 24 2.589 6.752 -11.567
157 HE2 MET 24 1HE MET 24 2.169 5.396 -12.613
158 HE3 MET 24 2HE MET 24 3.653 6.305 -12.901
159 H TYR 25 H TYR 25 0.813 4.290 -17.188
160 HA TYR 25 HA TYR 25 -1.586 3.147 -18.161
161 HB2 TYR 25 1HB TYR 25 1.157 3.548 -19.315
162 HB3 TYR 25 2HB TYR 25 -0.056 2.630 -20.199
163 HD1 TYR 25 HD1 TYR 25 -0.060 5.817 -18.233
164 HD2 TYR 25 HD2 TYR 25 -1.041 3.853 -21.878
165 HE1 TYR 25 HE1 TYR 25 -1.008 7.914 -19.102
166 HE2 TYR 25 HE2 TYR 25 -1.990 5.945 -22.757
167 HH TYR 25 HH TYR 25 -2.358 8.786 -20.738
168 H SER 26 H SER 26 0.951 1.803 -16.426
169 HA SER 26 HA SER 26 0.787 -0.841 -17.607
170 HB2 SER 26 1HB SER 26 2.881 0.283 -16.540
171 HB3 SER 26 2HB SER 26 2.170 -0.229 -15.010
172 HG SER 26 HG SER 26 3.231 -2.002 -15.488
173 H HIS 27 H HIS 27 -1.623 0.329 -16.458
174 HA HIS 27 HA HIS 27 -3.388 -0.232 -15.133
175 HB2 HIS 27 1HB HIS 27 -2.662 -2.478 -16.345
176 HB3 HIS 27 2HB HIS 27 -2.277 -2.968 -14.698
177 HD1 HIS 27 HD1 HIS 27 -4.133 -4.415 -13.944
178 HD2 HIS 27 HD2 HIS 27 -5.511 -1.096 -16.030
179 HE1 HIS 27 HE1 HIS 27 -6.642 -4.542 -13.828
180 H CYS 28 H CYS 28 -1.675 1.178 -13.706
181 HA CYS 28 HA CYS 28 -1.390 -0.272 -11.156
182 HB2 CYS 28 1HB CYS 28 0.649 0.831 -12.504
183 HB3 CYS 28 2HB CYS 28 0.121 2.247 -11.600
184 H PHE 29 H PHE 29 -2.868 2.337 -12.793
185 HA PHE 29 HA PHE 29 -3.832 3.431 -10.232
186 HB2 PHE 29 1HB PHE 29 -3.188 4.777 -12.838
187 HB3 PHE 29 2HB PHE 29 -4.338 5.504 -11.720
188 HD1 PHE 29 HD2 PHE 29 -1.027 3.809 -11.369
189 HD2 PHE 29 HD1 PHE 29 -3.425 7.223 -10.523
190 HE1 PHE 29 HE2 PHE 29 0.836 4.800 -10.104
191 HE2 PHE 29 HE1 PHE 29 -1.565 8.220 -9.258
192 HZ PHE 29 HZ PHE 29 0.569 7.008 -9.046
193 H GLY 30 H GLY 30 -4.662 2.101 -13.312
194 HA2 GLY 30 1HA GLY 30 -6.710 1.121 -13.868
195 HA3 GLY 30 2HA GLY 30 -7.442 1.919 -12.484
196 H VAL 31 H VAL 31 -5.525 3.703 -14.777
197 HA VAL 31 HA VAL 31 -7.946 5.150 -15.590
198 HB VAL 31 HB VAL 31 -6.443 6.943 -16.319
199 HG11 VAL 31 1HG1 VAL 31 -6.562 7.763 -14.258
200 HG12 VAL 31 2HG1 VAL 31 -6.958 6.142 -13.682
201 HG13 VAL 31 3HG1 VAL 31 -5.280 6.685 -13.707
202 HG21 VAL 31 3HG2 VAL 31 -4.420 4.865 -15.880
203 HG22 VAL 31 1HG2 VAL 31 -4.398 6.265 -16.953
204 HG23 VAL 31 2HG2 VAL 31 -3.988 6.454 -15.248
205 H LYS 32 H LYS 32 -5.202 3.361 -16.842
206 HA LYS 32 HA LYS 32 -5.468 3.970 -19.562
207 HB2 LYS 32 1HB LYS 32 -3.610 2.664 -18.305
208 HB3 LYS 32 2HB LYS 32 -4.621 1.254 -18.596
209 HG2 LYS 32 1HG LYS 32 -4.124 2.915 -20.961
210 HG3 LYS 32 2HG LYS 32 -2.691 2.148 -20.273
211 HD2 LYS 32 1HD LYS 32 -5.239 0.682 -20.950
212 HD3 LYS 32 2HD LYS 32 -3.842 0.789 -22.023
213 HE2 LYS 32 1HE LYS 32 -2.493 -0.171 -20.083
214 HE3 LYS 32 2HE LYS 32 -4.046 -0.559 -19.344
215 HZ1 LYS 32 3HZ LYS 32 -2.654 -2.031 -21.244
216 HZ2 LYS 32 1HZ LYS 32 -4.035 -1.438 -22.020
217 HZ3 LYS 32 2HZ LYS 32 -4.187 -2.354 -20.606
218 H HIS 33 H HIS 33 -6.461 2.850 -21.276
219 HA HIS 33 HA HIS 33 -8.918 1.468 -20.487
220 HB2 HIS 33 1HB HIS 33 -8.051 2.932 -22.961
221 HB3 HIS 33 2HB HIS 33 -9.400 1.801 -23.027
222 HD1 HIS 33 HD1 HIS 33 -8.497 5.216 -22.004
223 HD2 HIS 33 HD2 HIS 33 -11.651 2.577 -21.411
224 HE1 HIS 33 HE1 HIS 33 -10.388 6.617 -21.117
225 H SER 34 H SER 34 -8.985 -0.669 -20.555
226 HA SER 34 HA SER 34 -6.947 -2.322 -21.452
227 HB2 SER 34 1HB SER 34 -9.864 -2.810 -20.902
228 HB3 SER 34 2HB SER 34 -8.825 -4.110 -21.485
229 HG SER 34 HG SER 34 -7.727 -4.091 -19.637
230 H SER 35 H SER 35 -7.069 -3.971 -23.193
231 HA SER 35 HA SER 35 -7.396 -2.717 -25.711
232 HB2 SER 35 1HB SER 35 -5.724 -4.486 -25.301
233 HB3 SER 35 2HB SER 35 -7.024 -5.657 -25.083
234 HG SER 35 HG SER 35 -7.190 -5.811 -27.168
235 H GLY 36 H GLY 36 -9.273 -5.183 -23.986
236 HA2 GLY 36 1HA GLY 36 -11.780 -4.505 -24.651
237 HA3 GLY 36 2HA GLY 36 -11.240 -5.305 -26.119
238 H GLY 37 H GLY 37 -9.570 -7.243 -24.762
239 HA2 GLY 37 1HA GLY 37 -11.725 -8.995 -23.789
240 HA3 GLY 37 2HA GLY 37 -10.209 -9.539 -24.492
241 H GLY 38 H GLY 38 -10.426 -10.918 -22.462
242 HA2 GLY 38 1HA GLY 38 -9.701 -11.448 -20.348
243 HA3 GLY 38 2HA GLY 38 -8.451 -10.248 -20.640
244 H GLY 39 H GLY 39 -11.966 -10.189 -20.004
245 HA2 GLY 39 1HA GLY 39 -12.440 -9.383 -17.621
246 HA3 GLY 39 2HA GLY 39 -11.461 -8.002 -18.093
247 H SER 40 H SER 40 -14.425 -9.773 -18.854
248 HA SER 40 HA SER 40 -15.482 -7.358 -20.154
249 HB2 SER 40 1HB SER 40 -15.528 -9.486 -21.458
250 HB3 SER 40 2HB SER 40 -16.598 -10.171 -20.235
251 HG SER 40 HG SER 40 -18.025 -9.374 -21.612
252 H TYR 41 H TYR 41 -15.543 -6.681 -17.742
253 HA TYR 41 HA TYR 41 -17.695 -7.760 -16.175
254 HB2 TYR 41 1HB TYR 41 -15.482 -6.521 -15.430
255 HB3 TYR 41 2HB TYR 41 -16.491 -5.087 -15.591
256 HD1 TYR 41 HD1 TYR 41 -15.918 -8.166 -13.695
257 HD2 TYR 41 HD2 TYR 41 -18.356 -4.701 -14.082
258 HE1 TYR 41 HE1 TYR 41 -16.848 -8.577 -11.455
259 HE2 TYR 41 HE2 TYR 41 -19.292 -5.102 -11.843
260 HH TYR 41 HH TYR 41 -19.516 -6.684 -10.198
261 H HIS 42 H HIS 42 -19.523 -6.483 -15.421
262 HA HIS 42 HA HIS 42 -20.662 -4.916 -17.608
263 HB2 HIS 42 1HB HIS 42 -21.823 -6.346 -15.235
264 HB3 HIS 42 2HB HIS 42 -22.765 -5.131 -16.094
265 HD1 HIS 42 HD1 HIS 42 -24.462 -6.774 -17.046
266 HD2 HIS 42 HD2 HIS 42 -20.536 -7.695 -18.046
267 HE1 HIS 42 HE1 HIS 42 -24.618 -8.559 -18.811
268 H CYS 43 H CYS 43 -18.642 -3.647 -16.122
269 HA CYS 43 HA CYS 43 -20.155 -1.660 -14.561
270 HB2 CYS 43 1HB CYS 43 -18.396 -2.837 -13.292
271 HB3 CYS 43 2HB CYS 43 -17.198 -2.292 -14.461
272 H1 NAG 101 H1 NAG 100 5.576 19.541 -20.912
273 H2 NAG 101 HC2 NAG 100 7.473 19.596 -18.499
274 H3 NAG 101 HC3 NAG 100 6.460 21.855 -20.323
275 H4 NAG 101 HC4 NAG 100 9.242 20.549 -20.168
276 H5 NAG 101 H5 NAG 100 7.023 20.317 -22.279
277 H61 NAG 101 1H6 NAG 100 9.335 20.453 -23.247
278 H62 NAG 101 2H6 NAG 100 9.873 19.160 -22.166
279 H81 NAG 101 3H8 NAG 100 4.108 20.966 -16.019
280 H82 NAG 101 1H8 NAG 100 3.107 19.914 -17.075
281 H83 NAG 101 2H8 NAG 100 3.906 19.226 -15.622
282 HN2 NAG 101 H2 NAG 100 4.944 21.144 -18.599
283 HO3 NAG 101 H3 NAG 100 8.125 23.033 -19.178
284 HO4 NAG 101 H4 NAG 100 9.797 22.029 -21.677
285 HO6 NAG 101 HO6 NAG 100 7.899 17.950 -23.175
286 H1 NAG 102 H1 NAG 200 -17.392 1.139 -11.989
287 H2 NAG 102 HC2 NAG 200 -15.240 0.016 -10.110
288 H3 NAG 102 HC3 NAG 200 -16.042 2.913 -10.758
289 H4 NAG 102 HC4 NAG 200 -13.542 1.329 -11.599
290 H5 NAG 102 H5 NAG 200 -16.004 2.210 -13.210
291 H61 NAG 102 1H6 NAG 200 -13.839 2.439 -14.460
292 H62 NAG 102 2H6 NAG 200 -13.417 0.770 -14.047
293 H81 NAG 102 3H8 NAG 200 -18.487 -1.037 -7.021
294 H82 NAG 102 1H8 NAG 200 -17.952 0.648 -6.705
295 H83 NAG 102 2H8 NAG 200 -19.257 0.329 -7.897
296 HN2 NAG 102 H2 NAG 200 -17.442 1.769 -9.174
297 HO3 NAG 102 H3 NAG 200 -14.067 3.339 -9.580
298 HO4 NAG 102 H4 NAG 200 -12.917 3.204 -12.530
299 HO6 NAG 102 HO6 NAG 200 -15.682 0.298 -15.058
Start of MODEL 4
1 H1 LYS 1 H LYS 1 3.072 -1.858 -2.736
2 HA LYS 1 HA LYS 1 2.392 -1.921 -5.414
3 HB2 LYS 1 1HB LYS 1 2.085 0.764 -4.150
4 HB3 LYS 1 2HB LYS 1 2.776 0.682 -5.765
5 HG2 LYS 1 1HG LYS 1 0.826 -0.037 -6.717
6 HG3 LYS 1 2HG LYS 1 0.248 -0.788 -5.227
7 HD2 LYS 1 1HD LYS 1 -0.333 1.320 -4.293
8 HD3 LYS 1 2HD LYS 1 0.508 2.192 -5.576
9 HE2 LYS 1 1HE LYS 1 -1.718 2.363 -6.206
10 HE3 LYS 1 2HE LYS 1 -1.145 0.993 -7.157
11 HZ1 LYS 1 3HZ LYS 1 -2.817 -0.148 -6.282
12 HZ2 LYS 1 1HZ LYS 1 -3.185 1.079 -5.176
13 HZ3 LYS 1 2HZ LYS 1 -2.022 -0.087 -4.790
14 HA PRO 2 HA PRO 2 6.758 -1.820 -5.835
15 HB2 PRO 2 1HB PRO 2 7.084 -0.786 -8.324
16 HB3 PRO 2 2HB PRO 2 6.467 -2.417 -8.035
17 HG2 PRO 2 1HG PRO 2 4.961 0.096 -8.654
18 HG3 PRO 2 2HG PRO 2 4.719 -1.540 -9.294
19 HD2 PRO 2 1HD PRO 2 3.175 -0.503 -7.327
20 HD3 PRO 2 2HD PRO 2 3.555 -2.234 -7.430
21 H ALA 3 H ALA 3 8.504 -0.187 -6.990
22 HA ALA 3 HA ALA 3 8.321 2.224 -5.372
23 HB1 ALA 3 1HB ALA 3 10.663 1.469 -7.086
24 HB2 ALA 3 2HB ALA 3 10.633 2.432 -5.609
25 HB3 ALA 3 3HB ALA 3 10.371 0.690 -5.530
26 H TRP 4 H TRP 4 7.014 1.568 -8.157
27 HA TRP 4 HA TRP 4 7.936 3.969 -9.574
28 HB2 TRP 4 1HB TRP 4 5.959 2.193 -10.871
29 HB3 TRP 4 2HB TRP 4 7.402 2.954 -11.536
30 HD1 TRP 4 HD1 TRP 4 9.690 1.690 -9.905
31 HE1 TRP 4 HE1 TRP 4 10.202 -0.829 -10.035
32 HE3 TRP 4 HE3 TRP 4 5.155 0.025 -11.578
33 HZ2 TRP 4 HZ2 TRP 4 8.861 -3.207 -10.751
34 HZ3 TRP 4 HZ3 TRP 4 4.852 -2.387 -11.961
35 HH2 TRP 4 HH2 TRP 4 6.668 -3.968 -11.556
36 H CYS 5 H CYS 5 4.914 2.309 -8.675
37 HA CYS 5 HA CYS 5 3.379 4.721 -9.161
38 HB2 CYS 5 1HB CYS 5 2.339 2.176 -7.929
39 HB3 CYS 5 2HB CYS 5 1.446 3.397 -8.830
40 H TRP 6 H TRP 6 1.468 4.679 -7.224
41 HA TRP 6 HA TRP 6 2.713 4.696 -4.612
42 HB2 TRP 6 1HB TRP 6 2.918 7.013 -6.058
43 HB3 TRP 6 2HB TRP 6 1.425 7.282 -5.163
44 HD1 TRP 6 HD1 TRP 6 5.154 7.290 -4.765
45 HE1 TRP 6 HE1 TRP 6 5.767 7.878 -2.335
46 HE3 TRP 6 HE3 TRP 6 0.517 6.916 -2.644
47 HZ2 TRP 6 HZ2 TRP 6 4.458 8.148 0.151
48 HZ3 TRP 6 HZ3 TRP 6 0.284 7.354 -0.235
49 HH2 TRP 6 HH2 TRP 6 2.215 7.957 1.133
50 H TYR 7 H TYR 7 -0.109 5.574 -6.565
51 HA TYR 7 HA TYR 7 -1.891 4.010 -5.056
52 HB2 TYR 7 1HB TYR 7 -1.290 6.324 -3.709
53 HB3 TYR 7 2HB TYR 7 -2.743 6.783 -4.591
54 HD1 TYR 7 HD2 TYR 7 -1.623 3.689 -2.805
55 HD2 TYR 7 HD1 TYR 7 -4.623 6.669 -3.271
56 HE1 TYR 7 HE2 TYR 7 -3.001 2.558 -1.111
57 HE2 TYR 7 HE1 TYR 7 -6.010 5.547 -1.578
58 HH TYR 7 HH TYR 7 -5.985 2.767 -0.728
59 H THR 8 H THR 8 -4.275 5.326 -5.421
60 HA THR 8 HA THR 8 -4.414 5.440 -8.350
61 HB THR 8 HB THR 8 -6.804 5.246 -6.537
62 HG1 THR 8 HG1 THR 8 -6.296 3.251 -6.067
63 HG21 THR 8 3HG2 THR 8 -6.425 5.361 -9.322
64 HG22 THR 8 1HG2 THR 8 -7.924 5.036 -8.453
65 HG23 THR 8 2HG2 THR 8 -6.888 3.700 -8.955
66 H LEU 9 H LEU 9 -3.584 7.687 -6.593
67 HA LEU 9 HA LEU 9 -5.678 9.585 -6.434
68 HB2 LEU 9 1HB LEU 9 -2.745 9.585 -6.125
69 HB3 LEU 9 2HB LEU 9 -3.472 11.133 -6.553
70 HG LEU 9 HG LEU 9 -4.850 9.831 -4.347
71 HD11 LEU 9 1HD1 LEU 9 -3.181 9.870 -2.712
72 HD12 LEU 9 2HD1 LEU 9 -2.055 10.743 -3.751
73 HD13 LEU 9 3HD1 LEU 9 -2.430 9.052 -4.082
74 HD21 LEU 9 3HD2 LEU 9 -4.484 12.056 -3.330
75 HD22 LEU 9 1HD2 LEU 9 -5.216 12.140 -4.932
76 HD23 LEU 9 2HD2 LEU 9 -3.502 12.502 -4.727
77 H ALA 10 H ALA 10 -3.532 8.607 -8.981
78 HA ALA 10 HA ALA 10 -3.439 9.138 -11.194
79 HB1 ALA 10 1HB ALA 10 -5.382 9.768 -12.278
80 HB2 ALA 10 2HB ALA 10 -6.000 9.036 -10.796
81 HB3 ALA 10 3HB ALA 10 -5.917 10.792 -10.946
82 H MET 11 H MET 11 -1.650 10.514 -10.052
83 HA MET 11 HA MET 11 -1.940 13.306 -9.861
84 HB2 MET 11 1HB MET 11 0.602 11.800 -10.490
85 HB3 MET 11 2HB MET 11 0.468 13.394 -9.760
86 HG2 MET 11 1HG MET 11 0.457 12.477 -7.755
87 HG3 MET 11 2HG MET 11 -1.017 11.601 -8.160
88 HE1 MET 11 3HE MET 11 -0.197 8.441 -7.296
89 HE2 MET 11 1HE MET 11 0.838 9.347 -6.191
90 HE3 MET 11 2HE MET 11 -0.719 10.012 -6.685
91 H CYS 12 H CYS 12 -0.021 11.584 -12.325
92 HA CYS 12 HA CYS 12 0.203 13.689 -14.108
93 HB2 CYS 12 1HB CYS 12 0.885 12.088 -15.742
94 HB3 CYS 12 2HB CYS 12 1.439 11.489 -14.182
95 H GLY 13 H GLY 13 -0.849 14.142 -16.117
96 HA2 GLY 13 1HA GLY 13 -2.645 13.986 -17.647
97 HA3 GLY 13 2HA GLY 13 -3.518 12.999 -16.485
98 H ALA 14 H ALA 14 -2.728 15.068 -14.379
99 HA ALA 14 HA ALA 14 -4.866 16.981 -15.043
100 HB1 ALA 14 1HB ALA 14 -3.939 15.966 -12.361
101 HB2 ALA 14 2HB ALA 14 -5.131 17.247 -12.588
102 HB3 ALA 14 3HB ALA 14 -5.471 15.615 -13.164
103 H GLY 15 H GLY 15 -1.936 17.137 -15.661
104 HA2 GLY 15 1HA GLY 15 -0.855 19.269 -15.970
105 HA3 GLY 15 2HA GLY 15 -1.493 19.768 -14.411
106 H TYR 16 H TYR 16 -0.707 16.968 -13.425
107 HA TYR 16 HA TYR 16 1.674 17.690 -12.159
108 HB2 TYR 16 1HB TYR 16 0.070 15.227 -12.429
109 HB3 TYR 16 2HB TYR 16 1.768 14.976 -12.040
110 HD1 TYR 16 HD2 TYR 16 -1.419 16.345 -10.861
111 HD2 TYR 16 HD1 TYR 16 2.677 15.695 -9.909
112 HE1 TYR 16 HE2 TYR 16 -1.895 16.841 -8.499
113 HE2 TYR 16 HE1 TYR 16 2.212 16.188 -7.545
114 HH TYR 16 HH TYR 16 -0.920 16.344 -6.282
115 H ASP 17 H ASP 17 1.092 16.137 -15.223
116 HA ASP 17 HA ASP 17 4.002 16.035 -15.672
117 HB2 ASP 17 1HB ASP 17 1.902 14.110 -16.690
118 HB3 ASP 17 2HB ASP 17 3.590 14.107 -17.193
119 H SER 18 H SER 18 4.185 15.604 -18.289
120 HA SER 18 HA SER 18 3.193 18.087 -19.406
121 HB2 SER 18 1HB SER 18 5.302 16.122 -20.091
122 HB3 SER 18 2HB SER 18 4.553 16.955 -21.453
123 H GLY 19 H GLY 19 0.952 17.234 -19.207
124 HA2 GLY 19 1HA GLY 19 -0.131 15.140 -18.843
125 HA3 GLY 19 2HA GLY 19 -0.576 15.600 -20.479
126 H THR 20 H THR 20 1.761 13.733 -18.594
127 HA THR 20 HA THR 20 1.727 11.657 -20.614
128 HB THR 20 HB THR 20 3.509 12.956 -21.534
129 HG1 THR 20 HG1 THR 20 5.205 11.453 -21.330
130 HG21 THR 20 3HG2 THR 20 5.560 13.398 -20.050
131 HG22 THR 20 1HG2 THR 20 4.467 13.135 -18.692
132 HG23 THR 20 2HG2 THR 20 4.153 14.439 -19.837
133 H CYS 21 H CYS 21 2.056 9.666 -19.762
134 HA CYS 21 HA CYS 21 3.059 9.506 -17.000
135 HB2 CYS 21 1HB CYS 21 0.806 7.798 -18.054
136 HB3 CYS 21 2HB CYS 21 1.350 7.961 -16.388
137 H ASP 22 H ASP 22 3.094 6.866 -16.574
138 HA ASP 22 HA ASP 22 4.228 5.453 -18.825
139 HB2 ASP 22 1HB ASP 22 5.918 6.827 -16.907
140 HB3 ASP 22 2HB ASP 22 6.231 5.094 -16.913
141 H TYR 23 H TYR 23 4.758 5.124 -15.328
142 HA TYR 23 HA TYR 23 4.177 2.365 -15.310
143 HB2 TYR 23 1HB TYR 23 4.012 4.181 -12.908
144 HB3 TYR 23 2HB TYR 23 4.427 2.471 -12.947
145 HD1 TYR 23 HD2 TYR 23 6.517 2.054 -14.700
146 HD2 TYR 23 HD1 TYR 23 5.777 5.568 -12.418
147 HE1 TYR 23 HE2 TYR 23 8.905 2.632 -14.827
148 HE2 TYR 23 HE1 TYR 23 8.162 6.156 -12.539
149 HH TYR 23 HH TYR 23 10.521 3.975 -13.991
150 H MET 24 H MET 24 2.178 5.176 -15.062
151 HA MET 24 HA MET 24 -0.043 4.068 -13.737
152 HB2 MET 24 1HB MET 24 0.241 6.349 -15.684
153 HB3 MET 24 2HB MET 24 -1.312 5.908 -14.986
154 HG2 MET 24 1HG MET 24 -0.661 7.527 -13.529
155 HG3 MET 24 2HG MET 24 0.008 6.106 -12.729
156 HE1 MET 24 3HE MET 24 3.666 6.408 -12.826
157 HE2 MET 24 1HE MET 24 2.493 6.730 -11.548
158 HE3 MET 24 2HE MET 24 2.237 5.385 -12.661
159 H TYR 25 H TYR 25 0.796 4.255 -17.174
160 HA TYR 25 HA TYR 25 -1.601 3.097 -18.132
161 HB2 TYR 25 1HB TYR 25 1.137 3.498 -19.300
162 HB3 TYR 25 2HB TYR 25 -0.082 2.577 -20.174
163 HD1 TYR 25 HD1 TYR 25 -0.042 5.779 -18.231
164 HD2 TYR 25 HD2 TYR 25 -1.110 3.787 -21.836
165 HE1 TYR 25 HE1 TYR 25 -0.992 7.874 -19.101
166 HE2 TYR 25 HE2 TYR 25 -2.062 5.877 -22.716
167 HH TYR 25 HH TYR 25 -2.914 8.391 -20.960
168 H SER 26 H SER 26 0.939 1.771 -16.392
169 HA SER 26 HA SER 26 0.796 -0.877 -17.563
170 HB2 SER 26 1HB SER 26 2.863 0.292 -16.451
171 HB3 SER 26 2HB SER 26 2.147 -0.293 -14.949
172 HG SER 26 HG SER 26 3.471 -1.667 -16.900
173 H HIS 27 H HIS 27 -1.638 0.258 -16.460
174 HA HIS 27 HA HIS 27 -3.410 -0.309 -15.148
175 HB2 HIS 27 1HB HIS 27 -2.839 -2.505 -16.363
176 HB3 HIS 27 2HB HIS 27 -2.139 -3.021 -14.831
177 HD1 HIS 27 HD1 HIS 27 -4.013 -4.902 -14.856
178 HD2 HIS 27 HD2 HIS 27 -5.391 -1.003 -14.453
179 HE1 HIS 27 HE1 HIS 27 -6.383 -5.108 -14.040
180 H CYS 28 H CYS 28 -1.716 1.131 -13.717
181 HA CYS 28 HA CYS 28 -1.463 -0.289 -11.146
182 HB2 CYS 28 1HB CYS 28 0.593 0.802 -12.480
183 HB3 CYS 28 2HB CYS 28 0.051 2.227 -11.599
184 H PHE 29 H PHE 29 -2.905 2.314 -12.835
185 HA PHE 29 HA PHE 29 -3.911 3.430 -10.300
186 HB2 PHE 29 1HB PHE 29 -3.226 4.747 -12.910
187 HB3 PHE 29 2HB PHE 29 -4.395 5.486 -11.820
188 HD1 PHE 29 HD2 PHE 29 -1.101 3.786 -11.370
189 HD2 PHE 29 HD1 PHE 29 -3.493 7.232 -10.651
190 HE1 PHE 29 HE2 PHE 29 0.741 4.792 -10.085
191 HE2 PHE 29 HE1 PHE 29 -1.656 8.244 -9.366
192 HZ PHE 29 HZ PHE 29 0.464 7.024 -9.081
193 H GLY 30 H GLY 30 -4.696 2.069 -13.378
194 HA2 GLY 30 1HA GLY 30 -6.774 1.012 -13.808
195 HA3 GLY 30 2HA GLY 30 -7.524 2.057 -12.611
196 H VAL 31 H VAL 31 -5.391 3.415 -14.983
197 HA VAL 31 HA VAL 31 -7.689 4.779 -16.198
198 HB VAL 31 HB VAL 31 -6.052 6.407 -17.056
199 HG11 VAL 31 1HG1 VAL 31 -7.080 6.958 -14.988
200 HG12 VAL 31 2HG1 VAL 31 -6.021 5.866 -14.094
201 HG13 VAL 31 3HG1 VAL 31 -5.365 7.334 -14.820
202 HG21 VAL 31 3HG2 VAL 31 -4.112 4.992 -17.286
203 HG22 VAL 31 1HG2 VAL 31 -3.729 6.328 -16.200
204 HG23 VAL 31 2HG2 VAL 31 -4.056 4.725 -15.543
205 H LYS 32 H LYS 32 -4.910 2.774 -16.937
206 HA LYS 32 HA LYS 32 -4.866 2.993 -19.713
207 HB2 LYS 32 1HB LYS 32 -3.116 1.850 -18.443
208 HB3 LYS 32 2HB LYS 32 -4.249 0.582 -17.995
209 HG2 LYS 32 1HG LYS 32 -3.133 -0.416 -19.723
210 HG3 LYS 32 2HG LYS 32 -4.501 0.298 -20.580
211 HD2 LYS 32 1HD LYS 32 -1.917 1.789 -20.264
212 HD3 LYS 32 2HD LYS 32 -2.138 0.611 -21.560
213 HE2 LYS 32 1HE LYS 32 -4.414 2.071 -21.785
214 HE3 LYS 32 2HE LYS 32 -3.282 3.300 -21.222
215 HZ1 LYS 32 3HZ LYS 32 -3.421 1.958 -23.770
216 HZ2 LYS 32 1HZ LYS 32 -1.859 2.038 -23.125
217 HZ3 LYS 32 2HZ LYS 32 -2.746 3.457 -23.371
218 H HIS 33 H HIS 33 -6.280 2.456 -21.233
219 HA HIS 33 HA HIS 33 -8.756 1.227 -20.640
220 HB2 HIS 33 1HB HIS 33 -7.401 1.819 -23.276
221 HB3 HIS 33 2HB HIS 33 -9.047 1.207 -23.140
222 HD1 HIS 33 HD1 HIS 33 -10.001 2.996 -20.790
223 HD2 HIS 33 HD2 HIS 33 -7.921 4.365 -24.116
224 HE1 HIS 33 HE1 HIS 33 -10.559 5.442 -20.972
225 H SER 34 H SER 34 -9.449 -0.833 -20.809
226 HA SER 34 HA SER 34 -7.435 -2.855 -21.512
227 HB2 SER 34 1HB SER 34 -8.454 -2.891 -19.206
228 HB3 SER 34 2HB SER 34 -10.000 -3.276 -19.964
229 HG SER 34 HG SER 34 -8.804 -5.137 -19.256
230 H SER 35 H SER 35 -8.701 -1.579 -23.624
231 HA SER 35 HA SER 35 -10.982 -3.028 -24.538
232 HB2 SER 35 1HB SER 35 -10.407 -0.709 -25.275
233 HB3 SER 35 2HB SER 35 -9.044 -1.376 -26.174
234 HG SER 35 HG SER 35 -11.805 -1.857 -26.591
235 H GLY 36 H GLY 36 -10.218 -5.215 -24.230
236 HA2 GLY 36 1HA GLY 36 -9.306 -6.398 -26.630
237 HA3 GLY 36 2HA GLY 36 -7.985 -6.335 -25.473
238 H GLY 37 H GLY 37 -8.766 -8.765 -26.336
239 HA2 GLY 37 1HA GLY 37 -10.459 -9.830 -24.165
240 HA3 GLY 37 2HA GLY 37 -10.242 -10.598 -25.731
241 H GLY 38 H GLY 38 -8.362 -11.784 -26.150
242 HA2 GLY 38 1HA GLY 38 -6.375 -12.879 -25.649
243 HA3 GLY 38 2HA GLY 38 -6.300 -11.990 -24.135
244 H GLY 39 H GLY 39 -5.557 -14.522 -23.965
245 HA2 GLY 39 1HA GLY 39 -7.406 -15.635 -22.119
246 HA3 GLY 39 2HA GLY 39 -7.463 -16.514 -23.640
247 H SER 40 H SER 40 -4.922 -16.672 -24.456
248 HA SER 40 HA SER 40 -3.592 -18.101 -22.249
249 HB2 SER 40 1HB SER 40 -4.463 -19.314 -24.423
250 HB3 SER 40 2HB SER 40 -2.971 -18.684 -25.119
251 HG SER 40 HG SER 40 -3.107 -20.868 -23.880
252 H TYR 41 H TYR 41 -3.158 -15.405 -22.417
253 HA TYR 41 HA TYR 41 -0.584 -15.089 -23.786
254 HB2 TYR 41 1HB TYR 41 -2.633 -13.414 -23.877
255 HB3 TYR 41 2HB TYR 41 -1.931 -12.828 -22.373
256 HD1 TYR 41 HD1 TYR 41 -1.470 -13.131 -25.993
257 HD2 TYR 41 HD2 TYR 41 0.227 -11.709 -22.359
258 HE1 TYR 41 HE1 TYR 41 0.135 -11.781 -27.278
259 HE2 TYR 41 HE2 TYR 41 1.836 -10.355 -23.634
260 HH TYR 41 HH TYR 41 2.209 -9.444 -25.748
261 H HIS 42 H HIS 42 1.155 -13.963 -22.635
262 HA HIS 42 HA HIS 42 1.347 -14.939 -19.888
263 HB2 HIS 42 1HB HIS 42 3.122 -15.203 -21.844
264 HB3 HIS 42 2HB HIS 42 3.640 -13.621 -21.270
265 HD1 HIS 42 HD1 HIS 42 5.651 -13.991 -19.884
266 HD2 HIS 42 HD2 HIS 42 2.726 -16.851 -19.155
267 HE1 HIS 42 HE1 HIS 42 6.553 -15.416 -18.019
268 H CYS 43 H CYS 43 -0.327 -12.695 -20.350
269 HA CYS 43 HA CYS 43 1.163 -10.355 -19.492
270 HB2 CYS 43 1HB CYS 43 -0.809 -10.358 -21.145
271 HB3 CYS 43 2HB CYS 43 -1.833 -10.551 -19.726
272 H1 NAG 101 H1 NAG 100 5.243 19.821 -21.174
273 H2 NAG 101 HC2 NAG 100 7.310 19.874 -18.906
274 H3 NAG 101 HC3 NAG 100 6.078 22.148 -20.568
275 H4 NAG 101 HC4 NAG 100 8.912 20.954 -20.664
276 H5 NAG 101 H5 NAG 100 6.553 20.701 -22.614
277 H61 NAG 101 1H6 NAG 100 8.779 20.965 -23.743
278 H62 NAG 101 2H6 NAG 100 9.445 19.659 -22.751
279 H81 NAG 101 3H8 NAG 100 4.058 21.041 -16.182
280 H82 NAG 101 1H8 NAG 100 3.051 19.908 -17.144
281 H83 NAG 101 2H8 NAG 100 4.016 19.296 -15.759
282 HN2 NAG 101 H2 NAG 100 4.723 21.319 -18.764
283 HO3 NAG 101 H3 NAG 100 7.777 23.355 -19.505
284 HO4 NAG 101 H4 NAG 100 9.295 22.505 -22.155
285 HO6 NAG 101 HO6 NAG 100 7.450 18.403 -23.657
286 H1 NAG 102 H1 NAG 200 -0.417 -6.418 -19.672
287 H2 NAG 102 HC2 NAG 200 1.986 -6.598 -17.770
288 H3 NAG 102 HC3 NAG 200 0.922 -4.262 -19.461
289 H4 NAG 102 HC4 NAG 200 3.430 -5.998 -19.862
290 H5 NAG 102 H5 NAG 200 0.763 -5.930 -21.385
291 H61 NAG 102 1H6 NAG 200 2.771 -6.202 -22.866
292 H62 NAG 102 2H6 NAG 200 3.349 -7.532 -21.852
293 H81 NAG 102 3H8 NAG 200 -1.204 -6.445 -14.399
294 H82 NAG 102 1H8 NAG 200 -0.238 -4.933 -14.341
295 H83 NAG 102 2H8 NAG 200 -1.624 -5.070 -15.475
296 HN2 NAG 102 H2 NAG 200 -0.230 -4.663 -17.390
297 HO3 NAG 102 H3 NAG 200 2.970 -3.336 -18.813
298 HO4 NAG 102 H4 NAG 200 3.826 -4.675 -21.556
299 HO6 NAG 102 HO6 NAG 200 1.033 -8.434 -22.295
Start of MODEL 5
1 H1 LYS 1 H LYS 1 2.533 -1.043 -2.577
2 HA LYS 1 HA LYS 1 2.349 -1.931 -5.380
3 HB2 LYS 1 1HB LYS 1 2.129 0.754 -4.085
4 HB3 LYS 1 2HB LYS 1 2.753 0.655 -5.727
5 HG2 LYS 1 1HG LYS 1 0.629 -0.755 -6.185
6 HG3 LYS 1 2HG LYS 1 0.032 -0.017 -4.696
7 HD2 LYS 1 1HD LYS 1 0.883 2.193 -5.873
8 HD3 LYS 1 2HD LYS 1 0.639 1.228 -7.331
9 HE2 LYS 1 1HE LYS 1 -1.676 0.705 -6.347
10 HE3 LYS 1 2HE LYS 1 -1.371 2.064 -5.265
11 HZ1 LYS 1 3HZ LYS 1 -1.517 2.123 -8.227
12 HZ2 LYS 1 1HZ LYS 1 -0.966 3.423 -7.296
13 HZ3 LYS 1 2HZ LYS 1 -2.558 2.880 -7.130
14 HA PRO 2 HA PRO 2 6.714 -1.900 -5.830
15 HB2 PRO 2 1HB PRO 2 7.035 -0.856 -8.316
16 HB3 PRO 2 2HB PRO 2 6.395 -2.479 -8.031
17 HG2 PRO 2 1HG PRO 2 4.924 0.060 -8.623
18 HG3 PRO 2 2HG PRO 2 4.652 -1.568 -9.271
19 HD2 PRO 2 1HD PRO 2 3.140 -0.518 -7.285
20 HD3 PRO 2 2HD PRO 2 3.492 -2.254 -7.401
21 H ALA 3 H ALA 3 8.474 -0.286 -6.993
22 HA ALA 3 HA ALA 3 8.346 2.115 -5.355
23 HB1 ALA 3 1HB ALA 3 10.694 1.610 -7.081
24 HB2 ALA 3 2HB ALA 3 10.611 2.138 -5.400
25 HB3 ALA 3 3HB ALA 3 10.378 0.437 -5.803
26 H TRP 4 H TRP 4 7.014 1.487 -8.147
27 HA TRP 4 HA TRP 4 7.939 3.900 -9.540
28 HB2 TRP 4 1HB TRP 4 5.947 2.160 -10.856
29 HB3 TRP 4 2HB TRP 4 7.405 2.903 -11.508
30 HD1 TRP 4 HD1 TRP 4 9.673 1.588 -9.906
31 HE1 TRP 4 HE1 TRP 4 10.140 -0.939 -10.048
32 HE3 TRP 4 HE3 TRP 4 5.098 0.009 -11.553
33 HZ2 TRP 4 HZ2 TRP 4 8.753 -3.291 -10.764
34 HZ3 TRP 4 HZ3 TRP 4 4.750 -2.396 -11.942
35 HH2 TRP 4 HH2 TRP 4 6.541 -4.010 -11.556
36 H CYS 5 H CYS 5 4.903 2.239 -8.681
37 HA CYS 5 HA CYS 5 3.376 4.657 -9.129
38 HB2 CYS 5 1HB CYS 5 2.345 2.110 -7.892
39 HB3 CYS 5 2HB CYS 5 1.443 3.335 -8.778
40 H TRP 6 H TRP 6 1.479 4.611 -7.175
41 HA TRP 6 HA TRP 6 2.732 4.615 -4.571
42 HB2 TRP 6 1HB TRP 6 3.024 6.919 -5.982
43 HB3 TRP 6 2HB TRP 6 1.492 7.227 -5.168
44 HD1 TRP 6 HD1 TRP 6 5.159 7.361 -4.615
45 HE1 TRP 6 HE1 TRP 6 5.672 7.881 -2.147
46 HE3 TRP 6 HE3 TRP 6 0.499 6.628 -2.644
47 HZ2 TRP 6 HZ2 TRP 6 4.285 7.969 0.310
48 HZ3 TRP 6 HZ3 TRP 6 0.177 6.951 -0.226
49 HH2 TRP 6 HH2 TRP 6 2.032 7.607 1.219
50 H TYR 7 H TYR 7 -0.074 5.495 -6.536
51 HA TYR 7 HA TYR 7 -1.880 3.979 -5.018
52 HB2 TYR 7 1HB TYR 7 -1.245 6.262 -3.656
53 HB3 TYR 7 2HB TYR 7 -2.666 6.778 -4.558
54 HD1 TYR 7 HD2 TYR 7 -1.665 3.661 -2.739
55 HD2 TYR 7 HD1 TYR 7 -4.593 6.695 -3.307
56 HE1 TYR 7 HE2 TYR 7 -3.110 2.570 -1.075
57 HE2 TYR 7 HE1 TYR 7 -6.046 5.613 -1.643
58 HH TYR 7 HH TYR 7 -4.990 3.299 0.491
59 H THR 8 H THR 8 -4.244 5.332 -5.383
60 HA THR 8 HA THR 8 -4.377 5.459 -8.313
61 HB THR 8 HB THR 8 -6.771 5.257 -6.505
62 HG1 THR 8 HG1 THR 8 -5.645 3.482 -5.880
63 HG21 THR 8 3HG2 THR 8 -6.380 5.390 -9.293
64 HG22 THR 8 1HG2 THR 8 -7.886 5.088 -8.427
65 HG23 THR 8 2HG2 THR 8 -6.873 3.736 -8.933
66 H LEU 9 H LEU 9 -3.535 7.689 -6.551
67 HA LEU 9 HA LEU 9 -5.614 9.596 -6.355
68 HB2 LEU 9 1HB LEU 9 -2.675 9.584 -6.102
69 HB3 LEU 9 2HB LEU 9 -3.405 11.136 -6.508
70 HG LEU 9 HG LEU 9 -4.736 9.816 -4.278
71 HD11 LEU 9 1HD1 LEU 9 -2.296 9.071 -4.071
72 HD12 LEU 9 2HD1 LEU 9 -3.035 9.864 -2.681
73 HD13 LEU 9 3HD1 LEU 9 -1.944 10.766 -3.733
74 HD21 LEU 9 3HD2 LEU 9 -3.474 12.506 -4.766
75 HD22 LEU 9 1HD2 LEU 9 -4.282 12.065 -3.262
76 HD23 LEU 9 2HD2 LEU 9 -5.190 12.097 -4.773
77 H ALA 10 H ALA 10 -3.513 8.625 -8.944
78 HA ALA 10 HA ALA 10 -3.455 9.167 -11.155
79 HB1 ALA 10 1HB ALA 10 -5.927 10.821 -10.878
80 HB2 ALA 10 2HB ALA 10 -5.419 9.772 -12.203
81 HB3 ALA 10 3HB ALA 10 -6.015 9.069 -10.699
82 H MET 11 H MET 11 -1.652 10.543 -10.041
83 HA MET 11 HA MET 11 -1.960 13.340 -9.851
84 HB2 MET 11 1HB MET 11 0.512 11.667 -10.322
85 HB3 MET 11 2HB MET 11 0.533 13.387 -9.953
86 HG2 MET 11 1HG MET 11 -0.274 13.043 -7.780
87 HG3 MET 11 2HG MET 11 -0.779 11.394 -8.140
88 HE1 MET 11 3HE MET 11 2.224 9.360 -8.449
89 HE2 MET 11 1HE MET 11 1.219 9.289 -7.001
90 HE3 MET 11 2HE MET 11 0.479 9.586 -8.574
91 H CYS 12 H CYS 12 0.031 11.652 -12.275
92 HA CYS 12 HA CYS 12 0.226 13.735 -14.076
93 HB2 CYS 12 1HB CYS 12 0.950 12.136 -15.690
94 HB3 CYS 12 2HB CYS 12 1.488 11.546 -14.121
95 H GLY 13 H GLY 13 -0.796 14.102 -16.141
96 HA2 GLY 13 1HA GLY 13 -2.580 13.926 -17.671
97 HA3 GLY 13 2HA GLY 13 -3.453 12.942 -16.506
98 H ALA 14 H ALA 14 -2.758 15.007 -14.394
99 HA ALA 14 HA ALA 14 -4.890 16.905 -15.117
100 HB1 ALA 14 1HB ALA 14 -5.507 15.531 -13.242
101 HB2 ALA 14 2HB ALA 14 -4.005 15.928 -12.406
102 HB3 ALA 14 3HB ALA 14 -5.220 17.177 -12.677
103 H GLY 15 H GLY 15 -2.024 17.162 -15.772
104 HA2 GLY 15 1HA GLY 15 -0.945 19.283 -16.039
105 HA3 GLY 15 2HA GLY 15 -1.607 19.775 -14.487
106 H TYR 16 H TYR 16 -0.774 16.953 -13.538
107 HA TYR 16 HA TYR 16 1.573 17.720 -12.223
108 HB2 TYR 16 1HB TYR 16 0.006 15.243 -12.518
109 HB3 TYR 16 2HB TYR 16 1.708 14.997 -12.146
110 HD1 TYR 16 HD1 TYR 16 2.649 15.818 -10.032
111 HD2 TYR 16 HD2 TYR 16 -1.498 16.204 -10.902
112 HE1 TYR 16 HE1 TYR 16 2.200 16.276 -7.658
113 HE2 TYR 16 HE2 TYR 16 -1.959 16.664 -8.530
114 HH TYR 16 HH TYR 16 -0.594 15.992 -6.228
115 H ASP 17 H ASP 17 1.057 16.140 -15.293
116 HA ASP 17 HA ASP 17 3.971 16.144 -15.726
117 HB2 ASP 17 1HB ASP 17 1.959 14.113 -16.715
118 HB3 ASP 17 2HB ASP 17 3.647 14.174 -17.215
119 H SER 18 H SER 18 4.183 15.676 -18.334
120 HA SER 18 HA SER 18 3.110 18.099 -19.498
121 HB2 SER 18 1HB SER 18 5.096 16.035 -20.440
122 HB3 SER 18 2HB SER 18 4.515 17.318 -21.500
123 H GLY 19 H GLY 19 0.890 17.217 -19.293
124 HA2 GLY 19 1HA GLY 19 -0.152 15.108 -18.879
125 HA3 GLY 19 2HA GLY 19 -0.612 15.531 -20.522
126 H THR 20 H THR 20 1.782 13.749 -18.621
127 HA THR 20 HA THR 20 1.777 11.641 -20.615
128 HB THR 20 HB THR 20 3.581 13.254 -21.326
129 HG1 THR 20 HG1 THR 20 3.579 10.892 -21.706
130 HG21 THR 20 3HG2 THR 20 5.654 13.294 -20.050
131 HG22 THR 20 1HG2 THR 20 4.933 12.268 -18.811
132 HG23 THR 20 2HG2 THR 20 4.322 13.902 -19.067
133 H CYS 21 H CYS 21 2.152 9.661 -19.749
134 HA CYS 21 HA CYS 21 3.145 9.535 -16.983
135 HB2 CYS 21 1HB CYS 21 0.877 7.822 -17.999
136 HB3 CYS 21 2HB CYS 21 1.435 8.004 -16.339
137 H ASP 22 H ASP 22 3.169 6.897 -16.528
138 HA ASP 22 HA ASP 22 4.305 5.471 -18.775
139 HB2 ASP 22 1HB ASP 22 5.978 6.815 -16.816
140 HB3 ASP 22 2HB ASP 22 6.278 5.079 -16.845
141 H TYR 23 H TYR 23 4.785 5.120 -15.273
142 HA TYR 23 HA TYR 23 4.167 2.369 -15.277
143 HB2 TYR 23 1HB TYR 23 3.997 4.171 -12.865
144 HB3 TYR 23 2HB TYR 23 4.397 2.458 -12.913
145 HD1 TYR 23 HD2 TYR 23 6.515 1.997 -14.580
146 HD2 TYR 23 HD1 TYR 23 5.756 5.579 -12.413
147 HE1 TYR 23 HE2 TYR 23 8.908 2.555 -14.677
148 HE2 TYR 23 HE1 TYR 23 8.147 6.148 -12.505
149 HH TYR 23 HH TYR 23 10.467 4.067 -14.208
150 H MET 24 H MET 24 2.204 5.207 -15.027
151 HA MET 24 HA MET 24 -0.046 4.115 -13.738
152 HB2 MET 24 1HB MET 24 0.289 6.413 -15.657
153 HB3 MET 24 2HB MET 24 -1.276 5.987 -14.977
154 HG2 MET 24 1HG MET 24 -0.617 7.580 -13.496
155 HG3 MET 24 2HG MET 24 0.027 6.142 -12.707
156 HE1 MET 24 3HE MET 24 3.691 6.548 -12.606
157 HE2 MET 24 1HE MET 24 2.353 6.679 -11.464
158 HE3 MET 24 2HE MET 24 2.355 5.398 -12.676
159 H TYR 25 H TYR 25 0.830 4.333 -17.164
160 HA TYR 25 HA TYR 25 -1.572 3.216 -18.158
161 HB2 TYR 25 1HB TYR 25 1.180 3.605 -19.296
162 HB3 TYR 25 2HB TYR 25 -0.037 2.704 -20.193
163 HD1 TYR 25 HD1 TYR 25 -0.023 5.874 -18.200
164 HD2 TYR 25 HD2 TYR 25 -1.005 3.950 -21.865
165 HE1 TYR 25 HE1 TYR 25 -0.948 7.987 -19.054
166 HE2 TYR 25 HE2 TYR 25 -1.932 6.057 -22.730
167 HH TYR 25 HH TYR 25 -1.781 9.047 -20.831
168 H SER 26 H SER 26 0.942 1.839 -16.417
169 HA SER 26 HA SER 26 0.772 -0.793 -17.622
170 HB2 SER 26 1HB SER 26 2.876 0.264 -16.568
171 HB3 SER 26 2HB SER 26 2.144 -0.152 -15.018
172 HG SER 26 HG SER 26 3.103 -1.833 -17.049
173 H HIS 27 H HIS 27 -1.647 0.371 -16.498
174 HA HIS 27 HA HIS 27 -3.429 -0.193 -15.199
175 HB2 HIS 27 1HB HIS 27 -2.861 -2.388 -16.437
176 HB3 HIS 27 2HB HIS 27 -2.209 -2.926 -14.892
177 HD1 HIS 27 HD1 HIS 27 -3.995 -4.724 -14.548
178 HD2 HIS 27 HD2 HIS 27 -5.552 -0.899 -15.009
179 HE1 HIS 27 HE1 HIS 27 -6.418 -4.901 -13.900
180 H CYS 28 H CYS 28 -1.741 1.214 -13.745
181 HA CYS 28 HA CYS 28 -1.498 -0.242 -11.193
182 HB2 CYS 28 1HB CYS 28 0.565 0.865 -12.521
183 HB3 CYS 28 2HB CYS 28 0.040 2.264 -11.590
184 H PHE 29 H PHE 29 -2.917 2.391 -12.852
185 HA PHE 29 HA PHE 29 -3.919 3.484 -10.305
186 HB2 PHE 29 1HB PHE 29 -3.207 4.834 -12.891
187 HB3 PHE 29 2HB PHE 29 -4.371 5.569 -11.794
188 HD1 PHE 29 HD2 PHE 29 -1.090 3.834 -11.380
189 HD2 PHE 29 HD1 PHE 29 -3.462 7.274 -10.572
190 HE1 PHE 29 HE2 PHE 29 0.759 4.797 -10.073
191 HE2 PHE 29 HE1 PHE 29 -1.617 8.243 -9.264
192 HZ PHE 29 HZ PHE 29 0.497 7.005 -9.014
193 H GLY 30 H GLY 30 -4.703 2.255 -13.456
194 HA2 GLY 30 1HA GLY 30 -6.745 1.296 -14.074
195 HA3 GLY 30 2HA GLY 30 -7.493 2.037 -12.667
196 H VAL 31 H VAL 31 -5.550 3.848 -14.940
197 HA VAL 31 HA VAL 31 -7.934 5.401 -15.648
198 HB VAL 31 HB VAL 31 -6.317 7.100 -16.482
199 HG11 VAL 31 1HG1 VAL 31 -5.460 6.571 -13.695
200 HG12 VAL 31 2HG1 VAL 31 -6.098 8.045 -14.427
201 HG13 VAL 31 3HG1 VAL 31 -7.191 6.730 -13.993
202 HG21 VAL 31 3HG2 VAL 31 -4.460 5.590 -16.985
203 HG22 VAL 31 1HG2 VAL 31 -3.956 6.884 -15.898
204 HG23 VAL 31 2HG2 VAL 31 -4.253 5.266 -15.264
205 H LYS 32 H LYS 32 -5.357 3.476 -17.024
206 HA LYS 32 HA LYS 32 -5.521 4.123 -19.700
207 HB2 LYS 32 1HB LYS 32 -3.826 2.612 -18.975
208 HB3 LYS 32 2HB LYS 32 -5.013 1.474 -18.351
209 HG2 LYS 32 1HG LYS 32 -5.507 0.636 -20.420
210 HG3 LYS 32 2HG LYS 32 -5.058 2.126 -21.252
211 HD2 LYS 32 1HD LYS 32 -2.953 0.562 -19.828
212 HD3 LYS 32 2HD LYS 32 -3.531 -0.003 -21.397
213 HE2 LYS 32 1HE LYS 32 -3.139 2.578 -21.983
214 HE3 LYS 32 2HE LYS 32 -1.943 2.397 -20.701
215 HZ1 LYS 32 3HZ LYS 32 -1.228 1.925 -23.091
216 HZ2 LYS 32 1HZ LYS 32 -2.080 0.472 -22.934
217 HZ3 LYS 32 2HZ LYS 32 -0.782 0.806 -21.903
218 H HIS 33 H HIS 33 -6.768 3.468 -21.431
219 HA HIS 33 HA HIS 33 -9.495 2.852 -20.855
220 HB2 HIS 33 1HB HIS 33 -8.008 3.031 -23.483
221 HB3 HIS 33 2HB HIS 33 -9.753 2.846 -23.337
222 HD1 HIS 33 HD1 HIS 33 -9.667 4.949 -20.784
223 HD2 HIS 33 HD2 HIS 33 -8.465 5.551 -24.715
224 HE1 HIS 33 HE1 HIS 33 -9.756 7.436 -21.141
225 H SER 34 H SER 34 -10.435 1.146 -22.657
226 HA SER 34 HA SER 34 -9.649 -1.396 -21.617
227 HB2 SER 34 1HB SER 34 -11.966 -1.108 -22.105
228 HB3 SER 34 2HB SER 34 -11.623 -0.568 -23.749
229 HG SER 34 HG SER 34 -12.085 -2.626 -24.094
230 H SER 35 H SER 35 -7.719 -2.176 -22.220
231 HA SER 35 HA SER 35 -6.668 -1.793 -24.870
232 HB2 SER 35 1HB SER 35 -5.217 -1.875 -22.846
233 HB3 SER 35 2HB SER 35 -5.633 -3.578 -22.654
234 HG SER 35 HG SER 35 -3.856 -3.726 -23.836
235 H GLY 36 H GLY 36 -8.568 -2.816 -25.922
236 HA2 GLY 36 1HA GLY 36 -9.294 -5.481 -25.689
237 HA3 GLY 36 2HA GLY 36 -9.415 -4.545 -27.172
238 H GLY 37 H GLY 37 -8.322 -7.353 -26.085
239 HA2 GLY 37 1HA GLY 37 -7.077 -8.856 -27.427
240 HA3 GLY 37 2HA GLY 37 -6.260 -7.485 -28.161
241 H GLY 38 H GLY 38 -5.844 -10.043 -26.137
242 HA2 GLY 38 1HA GLY 38 -3.727 -10.564 -25.195
243 HA3 GLY 38 2HA GLY 38 -3.402 -8.844 -25.040
244 H GLY 39 H GLY 39 -4.358 -11.639 -23.428
245 HA2 GLY 39 1HA GLY 39 -5.455 -10.067 -21.182
246 HA3 GLY 39 2HA GLY 39 -5.806 -11.764 -21.475
247 H SER 40 H SER 40 -5.174 -11.887 -19.160
248 HA SER 40 HA SER 40 -2.272 -12.325 -18.958
249 HB2 SER 40 1HB SER 40 -2.302 -11.483 -16.652
250 HB3 SER 40 2HB SER 40 -2.841 -10.237 -17.777
251 HG SER 40 HG SER 40 -4.502 -10.131 -16.493
252 H TYR 41 H TYR 41 -1.974 -13.487 -16.616
253 HA TYR 41 HA TYR 41 -3.377 -16.000 -16.940
254 HB2 TYR 41 1HB TYR 41 -0.835 -15.551 -16.358
255 HB3 TYR 41 2HB TYR 41 -1.449 -15.521 -14.709
256 HD1 TYR 41 HD2 TYR 41 -2.337 -17.534 -13.674
257 HD2 TYR 41 HD1 TYR 41 -0.842 -17.603 -17.657
258 HE1 TYR 41 HE2 TYR 41 -2.277 -19.992 -13.603
259 HE2 TYR 41 HE1 TYR 41 -0.780 -20.062 -17.597
260 HH TYR 41 HH TYR 41 -0.580 -21.849 -15.593
261 H HIS 42 H HIS 42 -4.301 -17.137 -15.078
262 HA HIS 42 HA HIS 42 -5.897 -15.300 -13.461
263 HB2 HIS 42 1HB HIS 42 -6.738 -17.388 -14.866
264 HB3 HIS 42 2HB HIS 42 -6.315 -18.254 -13.392
265 HD1 HIS 42 HD1 HIS 42 -8.986 -16.331 -14.911
266 HD2 HIS 42 HD2 HIS 42 -7.742 -17.199 -11.043
267 HE1 HIS 42 HE1 HIS 42 -10.955 -15.805 -13.438
268 H CYS 43 H CYS 43 -3.161 -15.590 -12.769
269 HA CYS 43 HA CYS 43 -3.030 -17.368 -10.487
270 HB2 CYS 43 1HB CYS 43 -1.113 -16.674 -12.145
271 HB3 CYS 43 2HB CYS 43 -0.958 -15.286 -11.073
272 H1 NAG 101 H1 NAG 100 5.563 19.538 -20.892
273 H2 NAG 101 HC2 NAG 100 7.381 19.734 -18.426
274 H3 NAG 101 HC3 NAG 100 6.337 21.901 -20.342
275 H4 NAG 101 HC4 NAG 100 9.162 20.713 -20.068
276 H5 NAG 101 H5 NAG 100 7.020 20.335 -22.236
277 H61 NAG 101 1H6 NAG 100 9.353 20.538 -23.139
278 H62 NAG 101 2H6 NAG 100 9.908 19.297 -22.006
279 H81 NAG 101 3H8 NAG 100 3.902 21.024 -16.063
280 H82 NAG 101 1H8 NAG 100 2.967 19.942 -17.149
281 H83 NAG 101 2H8 NAG 100 3.730 19.281 -15.664
282 HN2 NAG 101 H2 NAG 100 4.798 21.177 -18.644
283 HO3 NAG 101 H3 NAG 100 7.919 23.176 -19.181
284 HO4 NAG 101 H4 NAG 100 9.704 22.173 -21.601
285 HO6 NAG 101 HO6 NAG 100 8.016 17.981 -23.039
286 H1 NAG 102 H1 NAG 200 -0.697 -16.265 -8.339
287 H2 NAG 102 HC2 NAG 200 1.403 -17.439 -6.433
288 H3 NAG 102 HC3 NAG 200 -0.432 -14.989 -6.152
289 H4 NAG 102 HC4 NAG 200 2.600 -15.127 -6.653
290 H5 NAG 102 H5 NAG 200 0.282 -14.375 -8.522
291 H61 NAG 102 1H6 NAG 200 2.316 -12.929 -8.795
292 H62 NAG 102 2H6 NAG 200 3.332 -14.371 -8.936
293 H81 NAG 102 3H8 NAG 200 -2.614 -19.641 -5.854
294 H82 NAG 102 1H8 NAG 200 -1.447 -20.748 -5.056
295 H83 NAG 102 2H8 NAG 200 -1.958 -19.236 -4.232
296 HN2 NAG 102 H2 NAG 200 -1.449 -17.116 -5.687
297 HO3 NAG 102 H3 NAG 200 0.967 -14.605 -4.317
298 HO4 NAG 102 H4 NAG 200 2.514 -12.947 -6.531
299 HO6 NAG 102 HO6 NAG 200 1.666 -14.960 -10.740
Start of MODEL 6
1 H1 LYS 1 H LYS 1 1.990 -0.956 -2.895
2 HA LYS 1 HA LYS 1 2.416 -1.894 -5.578
3 HB2 LYS 1 1HB LYS 1 2.017 0.761 -4.276
4 HB3 LYS 1 2HB LYS 1 2.739 0.720 -5.879
5 HG2 LYS 1 1HG LYS 1 0.826 -0.117 -6.865
6 HG3 LYS 1 2HG LYS 1 0.203 -0.766 -5.345
7 HD2 LYS 1 1HD LYS 1 -0.294 1.454 -4.548
8 HD3 LYS 1 2HD LYS 1 0.471 2.175 -5.966
9 HE2 LYS 1 1HE LYS 1 -1.735 2.268 -6.583
10 HE3 LYS 1 2HE LYS 1 -1.276 0.708 -7.262
11 HZ1 LYS 1 3HZ LYS 1 -3.306 0.392 -6.133
12 HZ2 LYS 1 1HZ LYS 1 -2.774 1.221 -4.758
13 HZ3 LYS 1 2HZ LYS 1 -2.119 -0.291 -5.139
14 HA PRO 2 HA PRO 2 6.788 -1.678 -5.885
15 HB2 PRO 2 1HB PRO 2 7.148 -0.596 -8.349
16 HB3 PRO 2 2HB PRO 2 6.566 -2.246 -8.100
17 HG2 PRO 2 1HG PRO 2 5.013 0.237 -8.718
18 HG3 PRO 2 2HG PRO 2 4.829 -1.393 -9.390
19 HD2 PRO 2 1HD PRO 2 3.210 -0.427 -7.446
20 HD3 PRO 2 2HD PRO 2 3.637 -2.146 -7.566
21 H ALA 3 H ALA 3 8.512 0.024 -6.989
22 HA ALA 3 HA ALA 3 8.241 2.394 -5.324
23 HB1 ALA 3 1HB ALA 3 10.343 0.851 -5.628
24 HB2 ALA 3 2HB ALA 3 10.639 1.896 -7.018
25 HB3 ALA 3 3HB ALA 3 10.523 2.591 -5.402
26 H TRP 4 H TRP 4 7.000 1.753 -8.152
27 HA TRP 4 HA TRP 4 7.847 4.233 -9.480
28 HB2 TRP 4 1HB TRP 4 6.005 2.420 -10.903
29 HB3 TRP 4 2HB TRP 4 7.454 3.240 -11.479
30 HD1 TRP 4 HD1 TRP 4 9.717 2.002 -9.825
31 HE1 TRP 4 HE1 TRP 4 10.301 -0.500 -9.979
32 HE3 TRP 4 HE3 TRP 4 5.274 0.241 -11.640
33 HZ2 TRP 4 HZ2 TRP 4 9.045 -2.902 -10.766
34 HZ3 TRP 4 HZ3 TRP 4 5.048 -2.172 -12.067
35 HH2 TRP 4 HH2 TRP 4 6.895 -3.709 -11.639
36 H CYS 5 H CYS 5 4.957 2.434 -8.483
37 HA CYS 5 HA CYS 5 3.259 4.723 -9.069
38 HB2 CYS 5 1HB CYS 5 2.395 2.143 -7.770
39 HB3 CYS 5 2HB CYS 5 1.412 3.288 -8.678
40 H TRP 6 H TRP 6 1.364 4.618 -7.121
41 HA TRP 6 HA TRP 6 2.577 4.736 -4.508
42 HB2 TRP 6 1HB TRP 6 2.846 7.015 -5.955
43 HB3 TRP 6 2HB TRP 6 1.284 7.304 -5.193
44 HD1 TRP 6 HD1 TRP 6 4.959 7.400 -4.508
45 HE1 TRP 6 HE1 TRP 6 5.376 8.045 -2.052
46 HE3 TRP 6 HE3 TRP 6 0.190 6.935 -2.727
47 HZ2 TRP 6 HZ2 TRP 6 3.880 8.320 0.327
48 HZ3 TRP 6 HZ3 TRP 6 -0.232 7.406 -0.349
49 HH2 TRP 6 HH2 TRP 6 1.576 8.084 1.144
50 H TYR 7 H TYR 7 -0.217 5.505 -6.536
51 HA TYR 7 HA TYR 7 -2.013 3.969 -5.036
52 HB2 TYR 7 1HB TYR 7 -1.443 6.271 -3.672
53 HB3 TYR 7 2HB TYR 7 -2.869 6.748 -4.587
54 HD1 TYR 7 HD2 TYR 7 -1.782 3.693 -2.713
55 HD2 TYR 7 HD1 TYR 7 -4.824 6.589 -3.391
56 HE1 TYR 7 HE2 TYR 7 -3.213 2.568 -1.059
57 HE2 TYR 7 HE1 TYR 7 -6.264 5.473 -1.738
58 HH TYR 7 HH TYR 7 -6.517 3.684 -0.426
59 H THR 8 H THR 8 -4.401 5.254 -5.437
60 HA THR 8 HA THR 8 -4.521 5.314 -8.361
61 HB THR 8 HB THR 8 -6.923 5.280 -6.554
62 HG1 THR 8 HG1 THR 8 -6.297 3.378 -5.886
63 HG21 THR 8 3HG2 THR 8 -7.972 5.195 -8.518
64 HG22 THR 8 1HG2 THR 8 -7.216 3.630 -8.813
65 HG23 THR 8 2HG2 THR 8 -6.435 5.107 -9.379
66 H LEU 9 H LEU 9 -3.650 7.591 -6.614
67 HA LEU 9 HA LEU 9 -5.687 9.563 -6.616
68 HB2 LEU 9 1HB LEU 9 -2.777 9.475 -6.139
69 HB3 LEU 9 2HB LEU 9 -3.431 11.034 -6.635
70 HG LEU 9 HG LEU 9 -3.211 10.742 -4.172
71 HD11 LEU 9 1HD1 LEU 9 -6.119 10.990 -4.755
72 HD12 LEU 9 2HD1 LEU 9 -5.002 12.142 -5.486
73 HD13 LEU 9 3HD1 LEU 9 -5.082 11.983 -3.731
74 HD21 LEU 9 3HD2 LEU 9 -4.180 9.072 -3.025
75 HD22 LEU 9 1HD2 LEU 9 -4.193 8.245 -4.583
76 HD23 LEU 9 2HD2 LEU 9 -5.635 9.092 -4.022
77 H ALA 10 H ALA 10 -3.414 8.457 -9.000
78 HA ALA 10 HA ALA 10 -3.170 8.925 -11.215
79 HB1 ALA 10 1HB ALA 10 -5.026 9.546 -12.430
80 HB2 ALA 10 2HB ALA 10 -5.764 8.927 -10.952
81 HB3 ALA 10 3HB ALA 10 -5.595 10.666 -11.192
82 H MET 11 H MET 11 -1.413 10.277 -10.005
83 HA MET 11 HA MET 11 -1.529 13.025 -9.742
84 HB2 MET 11 1HB MET 11 0.847 11.408 -10.681
85 HB3 MET 11 2HB MET 11 0.905 13.017 -9.972
86 HG2 MET 11 1HG MET 11 -0.265 10.691 -8.491
87 HG3 MET 11 2HG MET 11 1.466 11.020 -8.485
88 HE1 MET 11 3HE MET 11 -0.578 11.637 -5.296
89 HE2 MET 11 1HE MET 11 -1.852 12.483 -6.174
90 HE3 MET 11 2HE MET 11 -1.274 10.919 -6.749
91 H CYS 12 H CYS 12 0.107 11.454 -12.490
92 HA CYS 12 HA CYS 12 0.209 13.674 -14.135
93 HB2 CYS 12 1HB CYS 12 0.687 12.180 -15.940
94 HB3 CYS 12 2HB CYS 12 1.384 11.473 -14.486
95 H GLY 13 H GLY 13 -0.989 14.157 -16.112
96 HA2 GLY 13 1HA GLY 13 -2.948 14.046 -17.451
97 HA3 GLY 13 2HA GLY 13 -3.760 13.196 -16.144
98 H ALA 14 H ALA 14 -2.936 15.052 -14.082
99 HA ALA 14 HA ALA 14 -4.851 17.184 -14.682
100 HB1 ALA 14 1HB ALA 14 -5.341 15.927 -12.694
101 HB2 ALA 14 2HB ALA 14 -3.719 16.214 -12.063
102 HB3 ALA 14 3HB ALA 14 -4.850 17.556 -12.230
103 H GLY 15 H GLY 15 -1.985 17.101 -15.585
104 HA2 GLY 15 1HA GLY 15 -0.751 19.084 -16.104
105 HA3 GLY 15 2HA GLY 15 -1.281 19.772 -14.577
106 H TYR 16 H TYR 16 -0.628 17.005 -13.381
107 HA TYR 16 HA TYR 16 1.777 17.647 -12.184
108 HB2 TYR 16 1HB TYR 16 0.169 15.181 -12.479
109 HB3 TYR 16 2HB TYR 16 1.859 14.947 -12.045
110 HD1 TYR 16 HD2 TYR 16 -1.166 16.880 -11.035
111 HD2 TYR 16 HD1 TYR 16 2.502 15.101 -9.817
112 HE1 TYR 16 HE2 TYR 16 -1.706 17.386 -8.690
113 HE2 TYR 16 HE1 TYR 16 1.971 15.601 -7.468
114 HH TYR 16 HH TYR 16 0.292 17.580 -6.342
115 H ASP 17 H ASP 17 1.177 16.129 -15.259
116 HA ASP 17 HA ASP 17 4.085 15.997 -15.710
117 HB2 ASP 17 1HB ASP 17 1.971 14.088 -16.730
118 HB3 ASP 17 2HB ASP 17 3.660 14.072 -17.230
119 H SER 18 H SER 18 4.259 15.567 -18.328
120 HA SER 18 HA SER 18 3.304 18.062 -19.440
121 HB2 SER 18 1HB SER 18 5.309 16.002 -20.217
122 HB3 SER 18 2HB SER 18 4.612 16.983 -21.505
123 H GLY 19 H GLY 19 1.042 17.297 -19.238
124 HA2 GLY 19 1HA GLY 19 -0.107 15.238 -18.855
125 HA3 GLY 19 2HA GLY 19 -0.554 15.716 -20.486
126 H THR 20 H THR 20 1.758 13.777 -18.638
127 HA THR 20 HA THR 20 1.628 11.711 -20.672
128 HB THR 20 HB THR 20 3.513 13.239 -21.359
129 HG1 THR 20 HG1 THR 20 4.718 11.503 -21.962
130 HG21 THR 20 3HG2 THR 20 5.592 13.135 -20.092
131 HG22 THR 20 1HG2 THR 20 4.817 12.131 -18.869
132 HG23 THR 20 2HG2 THR 20 4.300 13.802 -19.095
133 H CYS 21 H CYS 21 1.904 9.695 -19.850
134 HA CYS 21 HA CYS 21 2.811 9.486 -17.055
135 HB2 CYS 21 1HB CYS 21 0.633 7.778 -18.258
136 HB3 CYS 21 2HB CYS 21 1.094 7.906 -16.563
137 H ASP 22 H ASP 22 2.937 6.885 -16.634
138 HA ASP 22 HA ASP 22 4.129 5.475 -18.854
139 HB2 ASP 22 1HB ASP 22 5.770 6.930 -16.955
140 HB3 ASP 22 2HB ASP 22 6.132 5.207 -16.926
141 H TYR 23 H TYR 23 4.640 5.223 -15.347
142 HA TYR 23 HA TYR 23 4.152 2.448 -15.284
143 HB2 TYR 23 1HB TYR 23 3.893 4.298 -12.916
144 HB3 TYR 23 2HB TYR 23 4.373 2.604 -12.922
145 HD1 TYR 23 HD2 TYR 23 6.481 2.287 -14.727
146 HD2 TYR 23 HD1 TYR 23 5.617 5.706 -12.346
147 HE1 TYR 23 HE2 TYR 23 8.846 2.954 -14.837
148 HE2 TYR 23 HE1 TYR 23 7.979 6.383 -12.451
149 HH TYR 23 HH TYR 23 9.958 6.011 -13.470
150 H MET 24 H MET 24 2.055 5.192 -15.112
151 HA MET 24 HA MET 24 -0.142 4.034 -13.792
152 HB2 MET 24 1HB MET 24 0.074 6.277 -15.793
153 HB3 MET 24 2HB MET 24 -1.461 5.803 -15.079
154 HG2 MET 24 1HG MET 24 -0.875 7.466 -13.653
155 HG3 MET 24 2HG MET 24 -0.122 6.100 -12.834
156 HE1 MET 24 3HE MET 24 2.049 5.492 -12.739
157 HE2 MET 24 1HE MET 24 3.490 6.410 -13.177
158 HE3 MET 24 2HE MET 24 2.527 6.896 -11.782
159 H TYR 25 H TYR 25 0.730 4.179 -17.222
160 HA TYR 25 HA TYR 25 -1.614 2.914 -18.178
161 HB2 TYR 25 1HB TYR 25 1.117 3.400 -19.331
162 HB3 TYR 25 2HB TYR 25 -0.056 2.415 -20.197
163 HD1 TYR 25 HD1 TYR 25 -0.185 5.645 -18.306
164 HD2 TYR 25 HD2 TYR 25 -1.092 3.558 -21.902
165 HE1 TYR 25 HE1 TYR 25 -1.209 7.684 -19.224
166 HE2 TYR 25 HE2 TYR 25 -2.117 5.592 -22.830
167 HH TYR 25 HH TYR 25 -2.002 8.026 -22.504
168 H SER 26 H SER 26 0.949 1.720 -16.384
169 HA SER 26 HA SER 26 0.929 -0.952 -17.508
170 HB2 SER 26 1HB SER 26 2.991 0.154 -16.534
171 HB3 SER 26 2HB SER 26 2.254 -0.053 -14.945
172 HG SER 26 HG SER 26 2.249 -2.289 -15.299
173 H HIS 27 H HIS 27 -1.543 0.179 -16.388
174 HA HIS 27 HA HIS 27 -3.305 -0.431 -15.081
175 HB2 HIS 27 1HB HIS 27 -2.641 -2.624 -16.309
176 HB3 HIS 27 2HB HIS 27 -2.033 -3.131 -14.736
177 HD1 HIS 27 HD1 HIS 27 -3.744 -3.786 -12.966
178 HD2 HIS 27 HD2 HIS 27 -5.460 -2.343 -16.464
179 HE1 HIS 27 HE1 HIS 27 -6.198 -4.298 -12.772
180 H CYS 28 H CYS 28 -1.609 1.017 -13.648
181 HA CYS 28 HA CYS 28 -1.350 -0.414 -11.084
182 HB2 CYS 28 1HB CYS 28 0.703 0.690 -12.427
183 HB3 CYS 28 2HB CYS 28 0.172 2.097 -11.510
184 H PHE 29 H PHE 29 -2.845 2.143 -12.762
185 HA PHE 29 HA PHE 29 -3.806 3.291 -10.224
186 HB2 PHE 29 1HB PHE 29 -3.199 4.585 -12.867
187 HB3 PHE 29 2HB PHE 29 -4.328 5.330 -11.741
188 HD1 PHE 29 HD2 PHE 29 -0.999 3.662 -11.448
189 HD2 PHE 29 HD1 PHE 29 -3.405 7.060 -10.568
190 HE1 PHE 29 HE2 PHE 29 0.886 4.679 -10.238
191 HE2 PHE 29 HE1 PHE 29 -1.524 8.084 -9.358
192 HZ PHE 29 HZ PHE 29 0.625 6.893 -9.190
193 H GLY 30 H GLY 30 -4.634 1.891 -13.275
194 HA2 GLY 30 1HA GLY 30 -6.666 0.912 -13.854
195 HA3 GLY 30 2HA GLY 30 -7.393 1.642 -12.431
196 H VAL 31 H VAL 31 -5.576 3.478 -14.791
197 HA VAL 31 HA VAL 31 -8.033 4.945 -15.444
198 HB VAL 31 HB VAL 31 -6.478 6.692 -16.335
199 HG11 VAL 31 1HG1 VAL 31 -7.420 6.910 -14.116
200 HG12 VAL 31 2HG1 VAL 31 -6.137 5.902 -13.443
201 HG13 VAL 31 3HG1 VAL 31 -5.753 7.487 -14.116
202 HG21 VAL 31 3HG2 VAL 31 -4.563 5.225 -16.777
203 HG22 VAL 31 1HG2 VAL 31 -4.118 6.580 -15.740
204 HG23 VAL 31 2HG2 VAL 31 -4.356 4.977 -15.043
205 H LYS 32 H LYS 32 -5.403 3.122 -16.860
206 HA LYS 32 HA LYS 32 -5.640 3.751 -19.535
207 HB2 LYS 32 1HB LYS 32 -3.872 2.316 -18.852
208 HB3 LYS 32 2HB LYS 32 -4.990 1.140 -18.175
209 HG2 LYS 32 1HG LYS 32 -5.529 0.264 -20.225
210 HG3 LYS 32 2HG LYS 32 -5.124 1.750 -21.087
211 HD2 LYS 32 1HD LYS 32 -2.939 0.310 -19.675
212 HD3 LYS 32 2HD LYS 32 -3.560 -0.387 -21.173
213 HE2 LYS 32 1HE LYS 32 -3.277 2.233 -21.861
214 HE3 LYS 32 2HE LYS 32 -1.939 2.020 -20.732
215 HZ1 LYS 32 3HZ LYS 32 -1.291 0.039 -22.066
216 HZ2 LYS 32 1HZ LYS 32 -1.156 1.506 -22.897
217 HZ3 LYS 32 2HZ LYS 32 -2.459 0.474 -23.210
218 H HIS 33 H HIS 33 -6.971 3.188 -21.194
219 HA HIS 33 HA HIS 33 -9.382 1.655 -20.475
220 HB2 HIS 33 1HB HIS 33 -10.437 2.946 -22.406
221 HB3 HIS 33 2HB HIS 33 -10.074 3.867 -20.949
222 HD1 HIS 33 HD1 HIS 33 -8.281 5.691 -21.118
223 HD2 HIS 33 HD2 HIS 33 -8.854 3.580 -24.651
224 HE1 HIS 33 HE1 HIS 33 -7.060 6.997 -22.888
225 H SER 34 H SER 34 -6.959 2.244 -22.964
226 HA SER 34 HA SER 34 -7.985 0.432 -24.875
227 HB2 SER 34 1HB SER 34 -5.796 0.610 -25.948
228 HB3 SER 34 2HB SER 34 -6.343 2.202 -25.420
229 HG SER 34 HG SER 34 -4.163 0.757 -24.636
230 H SER 35 H SER 35 -7.092 -1.627 -25.506
231 HA SER 35 HA SER 35 -6.355 -3.229 -23.173
232 HB2 SER 35 1HB SER 35 -7.213 -4.137 -25.931
233 HB3 SER 35 2HB SER 35 -7.013 -5.162 -24.510
234 HG SER 35 HG SER 35 -8.764 -2.958 -24.449
235 H GLY 36 H GLY 36 -4.171 -2.903 -22.932
236 HA2 GLY 36 1HA GLY 36 -1.986 -3.626 -23.266
237 HA3 GLY 36 2HA GLY 36 -2.482 -4.328 -24.799
238 H GLY 37 H GLY 37 -0.306 -3.367 -25.359
239 HA2 GLY 37 1HA GLY 37 -0.788 -0.792 -26.638
240 HA3 GLY 37 2HA GLY 37 0.533 -0.849 -25.481
241 H GLY 38 H GLY 38 2.321 -2.287 -25.913
242 HA2 GLY 38 1HA GLY 38 3.775 -3.469 -27.280
243 HA3 GLY 38 2HA GLY 38 2.520 -3.530 -28.508
244 H GLY 39 H GLY 39 5.266 -3.024 -29.014
245 HA2 GLY 39 1HA GLY 39 6.422 -1.661 -30.476
246 HA3 GLY 39 2HA GLY 39 5.002 -0.630 -30.570
247 H SER 40 H SER 40 7.131 -1.566 -27.873
248 HA SER 40 HA SER 40 7.151 1.153 -26.909
249 HB2 SER 40 1HB SER 40 7.150 -1.024 -25.499
250 HB3 SER 40 2HB SER 40 8.883 -1.056 -25.824
251 HG SER 40 HG SER 40 9.064 0.331 -24.271
252 H TYR 41 H TYR 41 8.318 2.524 -28.130
253 HA TYR 41 HA TYR 41 11.169 2.297 -28.108
254 HB2 TYR 41 1HB TYR 41 10.211 0.906 -30.139
255 HB3 TYR 41 2HB TYR 41 10.070 2.495 -30.881
256 HD1 TYR 41 HD2 TYR 41 12.064 3.801 -31.414
257 HD2 TYR 41 HD1 TYR 41 12.375 -0.084 -29.709
258 HE1 TYR 41 HE2 TYR 41 14.440 3.724 -32.041
259 HE2 TYR 41 HE1 TYR 41 14.753 -0.172 -30.330
260 HH TYR 41 HH TYR 41 16.491 2.555 -31.343
261 H HIS 42 H HIS 42 12.223 4.209 -29.003
262 HA HIS 42 HA HIS 42 10.516 6.560 -28.694
263 HB2 HIS 42 1HB HIS 42 13.481 6.095 -28.549
264 HB3 HIS 42 2HB HIS 42 12.840 7.723 -28.752
265 HD1 HIS 42 HD1 HIS 42 14.332 7.434 -26.264
266 HD2 HIS 42 HD2 HIS 42 10.342 6.300 -26.503
267 HE1 HIS 42 HE1 HIS 42 13.485 7.453 -23.897
268 H CYS 43 H CYS 43 10.192 5.130 -31.089
269 HA CYS 43 HA CYS 43 11.690 6.480 -33.162
270 HB2 CYS 43 1HB CYS 43 10.797 4.047 -33.196
271 HB3 CYS 43 2HB CYS 43 9.256 4.780 -33.632
272 H1 NAG 101 H1 NAG 100 5.262 19.588 -21.209
273 H2 NAG 101 HC2 NAG 100 7.388 19.930 -19.021
274 H3 NAG 101 HC3 NAG 100 5.942 22.003 -20.772
275 H4 NAG 101 HC4 NAG 100 8.851 21.011 -20.896
276 H5 NAG 101 H5 NAG 100 6.459 20.469 -22.744
277 H61 NAG 101 1H6 NAG 100 8.624 20.821 -23.964
278 H62 NAG 101 2H6 NAG 100 9.414 19.630 -22.920
279 H81 NAG 101 3H8 NAG 100 4.340 20.872 -15.986
280 H82 NAG 101 1H8 NAG 100 3.216 20.134 -17.176
281 H83 NAG 101 2H8 NAG 100 4.025 19.104 -15.948
282 HN2 NAG 101 H2 NAG 100 4.707 21.192 -18.876
283 HO3 NAG 101 H3 NAG 100 7.579 23.392 -19.844
284 HO4 NAG 101 H4 NAG 100 9.073 22.490 -22.489
285 HO6 NAG 101 HO6 NAG 100 7.491 18.181 -23.679
286 H1 NAG 102 H1 NAG 200 10.885 5.069 -37.412
287 H2 NAG 102 HC2 NAG 200 8.694 3.034 -38.107
288 H3 NAG 102 HC3 NAG 200 10.130 5.126 -39.843
289 H4 NAG 102 HC4 NAG 200 7.252 5.113 -38.756
290 H5 NAG 102 H5 NAG 200 9.706 6.770 -37.939
291 H61 NAG 102 1H6 NAG 200 7.565 8.080 -37.979
292 H62 NAG 102 2H6 NAG 200 6.779 6.840 -36.990
293 H81 NAG 102 3H8 NAG 200 11.973 0.648 -39.825
294 H82 NAG 102 1H8 NAG 200 12.816 0.930 -38.265
295 H83 NAG 102 2H8 NAG 200 11.652 -0.428 -38.423
296 HN2 NAG 102 H2 NAG 200 11.336 3.083 -39.456
297 HO3 NAG 102 H3 NAG 200 8.433 4.522 -41.335
298 HO4 NAG 102 H4 NAG 200 7.033 6.970 -39.888
299 HO6 NAG 102 HO6 NAG 200 8.760 7.261 -35.481
Start of MODEL 7
1 H1 LYS 1 H LYS 1 1.597 -2.217 -3.308
2 HA LYS 1 HA LYS 1 2.386 -1.930 -5.454
3 HB2 LYS 1 1HB LYS 1 2.081 0.744 -4.174
4 HB3 LYS 1 2HB LYS 1 2.804 0.679 -5.776
5 HG2 LYS 1 1HG LYS 1 0.867 0.069 -6.780
6 HG3 LYS 1 2HG LYS 1 0.292 -0.832 -5.375
7 HD2 LYS 1 1HD LYS 1 0.472 2.173 -5.424
8 HD3 LYS 1 2HD LYS 1 -0.969 1.293 -5.941
9 HE2 LYS 1 1HE LYS 1 0.163 0.551 -3.313
10 HE3 LYS 1 2HE LYS 1 -0.575 2.147 -3.425
11 HZ1 LYS 1 3HZ LYS 1 -2.557 0.995 -4.399
12 HZ2 LYS 1 1HZ LYS 1 -2.260 0.655 -2.769
13 HZ3 LYS 1 2HZ LYS 1 -1.848 -0.475 -3.957
14 HA PRO 2 HA PRO 2 6.754 -1.866 -5.865
15 HB2 PRO 2 1HB PRO 2 7.094 -0.823 -8.348
16 HB3 PRO 2 2HB PRO 2 6.462 -2.450 -8.067
17 HG2 PRO 2 1HG PRO 2 4.981 0.079 -8.678
18 HG3 PRO 2 2HG PRO 2 4.726 -1.551 -9.327
19 HD2 PRO 2 1HD PRO 2 3.186 -0.510 -7.358
20 HD3 PRO 2 2HD PRO 2 3.551 -2.244 -7.468
21 H ALA 3 H ALA 3 8.513 -0.239 -7.017
22 HA ALA 3 HA ALA 3 8.354 2.162 -5.381
23 HB1 ALA 3 1HB ALA 3 10.418 0.453 -6.028
24 HB2 ALA 3 2HB ALA 3 10.746 1.883 -7.007
25 HB3 ALA 3 3HB ALA 3 10.576 2.032 -5.258
26 H TRP 4 H TRP 4 7.026 1.540 -8.163
27 HA TRP 4 HA TRP 4 7.956 3.951 -9.558
28 HB2 TRP 4 1HB TRP 4 5.987 2.193 -10.885
29 HB3 TRP 4 2HB TRP 4 7.439 2.952 -11.531
30 HD1 TRP 4 HD1 TRP 4 9.710 1.661 -9.907
31 HE1 TRP 4 HE1 TRP 4 10.207 -0.861 -10.052
32 HE3 TRP 4 HE3 TRP 4 5.170 0.035 -11.603
33 HZ2 TRP 4 HZ2 TRP 4 8.854 -3.226 -10.789
34 HZ3 TRP 4 HZ3 TRP 4 4.854 -2.373 -12.003
35 HH2 TRP 4 HH2 TRP 4 6.659 -3.967 -11.604
36 H CYS 5 H CYS 5 4.937 2.276 -8.680
37 HA CYS 5 HA CYS 5 3.396 4.687 -9.150
38 HB2 CYS 5 1HB CYS 5 2.376 2.118 -7.945
39 HB3 CYS 5 2HB CYS 5 1.463 3.352 -8.807
40 H TRP 6 H TRP 6 1.484 4.627 -7.215
41 HA TRP 6 HA TRP 6 2.725 4.630 -4.601
42 HB2 TRP 6 1HB TRP 6 2.939 6.954 -6.026
43 HB3 TRP 6 2HB TRP 6 1.436 7.218 -5.147
44 HD1 TRP 6 HD1 TRP 6 5.157 7.247 -4.711
45 HE1 TRP 6 HE1 TRP 6 5.744 7.816 -2.270
46 HE3 TRP 6 HE3 TRP 6 0.505 6.812 -2.635
47 HZ2 TRP 6 HZ2 TRP 6 4.411 8.049 0.207
48 HZ3 TRP 6 HZ3 TRP 6 0.247 7.224 -0.223
49 HH2 TRP 6 HH2 TRP 6 2.161 7.829 1.167
50 H TYR 7 H TYR 7 -0.100 5.641 -6.503
51 HA TYR 7 HA TYR 7 -1.886 4.027 -5.016
52 HB2 TYR 7 1HB TYR 7 -1.277 6.322 -3.657
53 HB3 TYR 7 2HB TYR 7 -2.710 6.813 -4.553
54 HD1 TYR 7 HD2 TYR 7 -1.671 3.687 -2.773
55 HD2 TYR 7 HD1 TYR 7 -4.608 6.728 -3.257
56 HE1 TYR 7 HE2 TYR 7 -3.091 2.573 -1.102
57 HE2 TYR 7 HE1 TYR 7 -6.035 5.623 -1.586
58 HH TYR 7 HH TYR 7 -5.002 3.413 0.543
59 H THR 8 H THR 8 -4.264 5.362 -5.380
60 HA THR 8 HA THR 8 -4.403 5.473 -8.309
61 HB THR 8 HB THR 8 -6.794 5.287 -6.495
62 HG1 THR 8 HG1 THR 8 -6.558 3.076 -6.461
63 HG21 THR 8 3HG2 THR 8 -7.907 5.109 -8.415
64 HG22 THR 8 1HG2 THR 8 -6.910 3.740 -8.901
65 HG23 THR 8 2HG2 THR 8 -6.400 5.383 -9.288
66 H LEU 9 H LEU 9 -3.560 7.717 -6.560
67 HA LEU 9 HA LEU 9 -5.641 9.624 -6.383
68 HB2 LEU 9 1HB LEU 9 -2.705 9.612 -6.116
69 HB3 LEU 9 2HB LEU 9 -3.429 11.162 -6.541
70 HG LEU 9 HG LEU 9 -4.823 9.932 -4.328
71 HD11 LEU 9 1HD1 LEU 9 -3.167 9.784 -2.710
72 HD12 LEU 9 2HD1 LEU 9 -1.994 10.668 -3.686
73 HD13 LEU 9 3HD1 LEU 9 -2.424 9.011 -4.111
74 HD21 LEU 9 3HD2 LEU 9 -5.126 12.224 -4.722
75 HD22 LEU 9 1HD2 LEU 9 -3.392 12.518 -4.860
76 HD23 LEU 9 2HD2 LEU 9 -4.100 12.147 -3.288
77 H ALA 10 H ALA 10 -3.525 8.640 -8.957
78 HA ALA 10 HA ALA 10 -3.462 9.166 -11.171
79 HB1 ALA 10 1HB ALA 10 -5.923 10.835 -10.946
80 HB2 ALA 10 2HB ALA 10 -5.424 9.728 -12.226
81 HB3 ALA 10 3HB ALA 10 -6.034 9.092 -10.699
82 H MET 11 H MET 11 -1.666 10.552 -10.052
83 HA MET 11 HA MET 11 -1.973 13.348 -9.881
84 HB2 MET 11 1HB MET 11 0.488 11.651 -10.320
85 HB3 MET 11 2HB MET 11 0.533 13.382 -10.012
86 HG2 MET 11 1HG MET 11 -0.194 13.141 -7.823
87 HG3 MET 11 2HG MET 11 -0.853 11.533 -8.117
88 HE1 MET 11 3HE MET 11 1.648 9.428 -6.535
89 HE2 MET 11 1HE MET 11 -0.020 9.986 -6.672
90 HE3 MET 11 2HE MET 11 0.771 9.225 -8.053
91 H CYS 12 H CYS 12 0.031 11.658 -12.293
92 HA CYS 12 HA CYS 12 0.221 13.731 -14.104
93 HB2 CYS 12 1HB CYS 12 0.950 12.126 -15.710
94 HB3 CYS 12 2HB CYS 12 1.488 11.545 -14.138
95 H GLY 13 H GLY 13 -0.806 14.110 -16.155
96 HA2 GLY 13 1HA GLY 13 -2.585 13.929 -17.692
97 HA3 GLY 13 2HA GLY 13 -3.452 12.930 -16.536
98 H ALA 14 H ALA 14 -2.756 15.004 -14.418
99 HA ALA 14 HA ALA 14 -4.914 16.880 -15.126
100 HB1 ALA 14 1HB ALA 14 -4.011 15.914 -12.416
101 HB2 ALA 14 2HB ALA 14 -5.255 17.135 -12.691
102 HB3 ALA 14 3HB ALA 14 -5.503 15.481 -13.252
103 H GLY 15 H GLY 15 -2.004 17.120 -15.727
104 HA2 GLY 15 1HA GLY 15 -0.952 19.263 -16.007
105 HA3 GLY 15 2HA GLY 15 -1.627 19.751 -14.460
106 H TYR 16 H TYR 16 -0.782 16.932 -13.507
107 HA TYR 16 HA TYR 16 1.559 17.721 -12.185
108 HB2 TYR 16 1HB TYR 16 0.004 15.228 -12.469
109 HB3 TYR 16 2HB TYR 16 1.701 15.008 -12.058
110 HD1 TYR 16 HD2 TYR 16 -1.471 16.547 -10.957
111 HD2 TYR 16 HD1 TYR 16 2.517 15.525 -9.883
112 HE1 TYR 16 HE2 TYR 16 -1.984 17.042 -8.603
113 HE2 TYR 16 HE1 TYR 16 2.014 16.015 -7.525
114 HH TYR 16 HH TYR 16 -1.228 17.066 -6.519
115 H ASP 17 H ASP 17 1.049 16.107 -15.238
116 HA ASP 17 HA ASP 17 3.967 16.068 -15.648
117 HB2 ASP 17 1HB ASP 17 1.909 14.109 -16.687
118 HB3 ASP 17 2HB ASP 17 3.601 14.132 -17.177
119 H SER 18 H SER 18 4.195 15.633 -18.262
120 HA SER 18 HA SER 18 3.189 18.099 -19.400
121 HB2 SER 18 1HB SER 18 5.346 16.180 -20.022
122 HB3 SER 18 2HB SER 18 4.589 16.938 -21.423
123 H GLY 19 H GLY 19 0.955 17.221 -19.228
124 HA2 GLY 19 1HA GLY 19 -0.109 15.115 -18.873
125 HA3 GLY 19 2HA GLY 19 -0.537 15.565 -20.517
126 H THR 20 H THR 20 1.794 13.729 -18.594
127 HA THR 20 HA THR 20 1.812 11.648 -20.607
128 HB THR 20 HB THR 20 3.590 12.965 -21.510
129 HG1 THR 20 HG1 THR 20 5.327 11.492 -21.237
130 HG21 THR 20 3HG2 THR 20 4.515 13.161 -18.658
131 HG22 THR 20 1HG2 THR 20 4.191 14.460 -19.804
132 HG23 THR 20 2HG2 THR 20 5.617 13.441 -20.006
133 H CYS 21 H CYS 21 2.156 9.664 -19.745
134 HA CYS 21 HA CYS 21 3.149 9.518 -16.980
135 HB2 CYS 21 1HB CYS 21 0.881 7.817 -18.011
136 HB3 CYS 21 2HB CYS 21 1.432 7.991 -16.349
137 H ASP 22 H ASP 22 3.110 6.850 -16.566
138 HA ASP 22 HA ASP 22 4.248 5.432 -18.805
139 HB2 ASP 22 1HB ASP 22 5.954 6.794 -16.896
140 HB3 ASP 22 2HB ASP 22 6.243 5.056 -16.881
141 H TYR 23 H TYR 23 4.768 5.102 -15.306
142 HA TYR 23 HA TYR 23 4.155 2.350 -15.286
143 HB2 TYR 23 1HB TYR 23 4.007 4.168 -12.885
144 HB3 TYR 23 2HB TYR 23 4.406 2.454 -12.924
145 HD1 TYR 23 HD2 TYR 23 6.503 1.992 -14.631
146 HD2 TYR 23 HD1 TYR 23 5.776 5.564 -12.437
147 HE1 TYR 23 HE2 TYR 23 8.895 2.547 -14.755
148 HE2 TYR 23 HE1 TYR 23 8.167 6.131 -12.556
149 HH TYR 23 HH TYR 23 10.452 4.085 -14.337
150 H MET 24 H MET 24 2.190 5.186 -15.035
151 HA MET 24 HA MET 24 -0.046 4.099 -13.717
152 HB2 MET 24 1HB MET 24 0.269 6.387 -15.651
153 HB3 MET 24 2HB MET 24 -1.290 5.962 -14.957
154 HG2 MET 24 1HG MET 24 -0.621 7.564 -13.490
155 HG3 MET 24 2HG MET 24 0.028 6.131 -12.697
156 HE1 MET 24 3HE MET 24 2.389 5.393 -12.680
157 HE2 MET 24 1HE MET 24 3.686 6.584 -12.567
158 HE3 MET 24 2HE MET 24 2.314 6.667 -11.462
159 H TYR 25 H TYR 25 0.797 4.298 -17.153
160 HA TYR 25 HA TYR 25 -1.613 3.172 -18.117
161 HB2 TYR 25 1HB TYR 25 1.130 3.550 -19.285
162 HB3 TYR 25 2HB TYR 25 -0.103 2.653 -20.165
163 HD1 TYR 25 HD1 TYR 25 0.000 5.841 -18.204
164 HD2 TYR 25 HD2 TYR 25 -1.132 3.886 -21.809
165 HE1 TYR 25 HE1 TYR 25 -0.923 7.956 -19.054
166 HE2 TYR 25 HE2 TYR 25 -2.058 5.996 -22.670
167 HH TYR 25 HH TYR 25 -1.350 8.831 -21.733
168 H SER 26 H SER 26 0.921 1.808 -16.394
169 HA SER 26 HA SER 26 0.743 -0.831 -17.581
170 HB2 SER 26 1HB SER 26 2.871 0.169 -16.603
171 HB3 SER 26 2HB SER 26 2.153 -0.092 -15.014
172 HG SER 26 HG SER 26 3.544 -1.820 -15.862
173 H HIS 27 H HIS 27 -1.675 0.316 -16.465
174 HA HIS 27 HA HIS 27 -3.446 -0.239 -15.146
175 HB2 HIS 27 1HB HIS 27 -2.022 -2.836 -15.559
176 HB3 HIS 27 2HB HIS 27 -3.379 -2.779 -14.438
177 HD1 HIS 27 HD1 HIS 27 -5.656 -2.954 -15.435
178 HD2 HIS 27 HD2 HIS 27 -2.764 -2.020 -18.268
179 HE1 HIS 27 HE1 HIS 27 -6.834 -3.050 -17.655
180 H CYS 28 H CYS 28 -1.740 1.181 -13.714
181 HA CYS 28 HA CYS 28 -1.481 -0.254 -11.153
182 HB2 CYS 28 1HB CYS 28 0.573 0.838 -12.492
183 HB3 CYS 28 2HB CYS 28 0.042 2.258 -11.596
184 H PHE 29 H PHE 29 -2.919 2.365 -12.820
185 HA PHE 29 HA PHE 29 -3.910 3.470 -10.274
186 HB2 PHE 29 1HB PHE 29 -3.224 4.802 -12.876
187 HB3 PHE 29 2HB PHE 29 -4.388 5.539 -11.780
188 HD1 PHE 29 HD2 PHE 29 -1.099 3.823 -11.349
189 HD2 PHE 29 HD1 PHE 29 -3.479 7.270 -10.596
190 HE1 PHE 29 HE2 PHE 29 0.748 4.812 -10.060
191 HE2 PHE 29 HE1 PHE 29 -1.635 8.266 -9.307
192 HZ PHE 29 HZ PHE 29 0.482 7.036 -9.036
193 H GLY 30 H GLY 30 -4.712 2.132 -13.358
194 HA2 GLY 30 1HA GLY 30 -6.796 1.090 -13.789
195 HA3 GLY 30 2HA GLY 30 -7.537 2.131 -12.582
196 H VAL 31 H VAL 31 -5.405 3.505 -14.943
197 HA VAL 31 HA VAL 31 -7.701 4.885 -16.144
198 HB VAL 31 HB VAL 31 -6.059 6.513 -16.992
199 HG11 VAL 31 1HG1 VAL 31 -5.313 7.363 -14.708
200 HG12 VAL 31 2HG1 VAL 31 -7.044 7.118 -14.946
201 HG13 VAL 31 3HG1 VAL 31 -6.099 5.931 -14.045
202 HG21 VAL 31 3HG2 VAL 31 -3.732 6.418 -16.154
203 HG22 VAL 31 1HG2 VAL 31 -4.065 4.815 -15.497
204 HG23 VAL 31 2HG2 VAL 31 -4.128 5.084 -17.239
205 H LYS 32 H LYS 32 -4.931 2.876 -16.907
206 HA LYS 32 HA LYS 32 -4.888 3.116 -19.679
207 HB2 LYS 32 1HB LYS 32 -3.149 1.946 -18.419
208 HB3 LYS 32 2HB LYS 32 -4.293 0.682 -17.985
209 HG2 LYS 32 1HG LYS 32 -3.181 -0.305 -19.723
210 HG3 LYS 32 2HG LYS 32 -4.544 0.427 -20.573
211 HD2 LYS 32 1HD LYS 32 -1.954 1.903 -20.241
212 HD3 LYS 32 2HD LYS 32 -2.175 0.734 -21.545
213 HE2 LYS 32 1HE LYS 32 -4.447 2.208 -21.759
214 HE3 LYS 32 2HE LYS 32 -3.302 3.426 -21.201
215 HZ1 LYS 32 3HZ LYS 32 -2.639 3.573 -23.298
216 HZ2 LYS 32 1HZ LYS 32 -3.533 2.215 -23.765
217 HZ3 LYS 32 2HZ LYS 32 -1.970 2.027 -23.149
218 H HIS 33 H HIS 33 -6.286 2.581 -21.217
219 HA HIS 33 HA HIS 33 -8.726 1.214 -20.565
220 HB2 HIS 33 1HB HIS 33 -9.268 1.571 -22.970
221 HB3 HIS 33 2HB HIS 33 -8.811 3.052 -22.133
222 HD1 HIS 33 HD1 HIS 33 -6.945 4.377 -23.131
223 HD2 HIS 33 HD2 HIS 33 -7.139 0.519 -24.662
224 HE1 HIS 33 HE1 HIS 33 -5.272 4.313 -25.008
225 H SER 34 H SER 34 -9.442 -0.380 -22.516
226 HA SER 34 HA SER 34 -7.464 -2.552 -22.424
227 HB2 SER 34 1HB SER 34 -9.603 -3.907 -23.126
228 HB3 SER 34 2HB SER 34 -9.388 -3.409 -21.447
229 HG SER 34 HG SER 34 -10.983 -2.014 -21.640
230 H SER 35 H SER 35 -6.405 -3.025 -24.221
231 HA SER 35 HA SER 35 -7.297 -1.935 -26.761
232 HB2 SER 35 1HB SER 35 -4.790 -3.477 -26.049
233 HB3 SER 35 2HB SER 35 -5.109 -2.710 -27.604
234 HG SER 35 HG SER 35 -4.754 -1.467 -25.085
235 H GLY 36 H GLY 36 -7.154 -4.985 -25.107
236 HA2 GLY 36 1HA GLY 36 -8.329 -6.920 -25.656
237 HA3 GLY 36 2HA GLY 36 -8.715 -6.213 -27.217
238 H GLY 37 H GLY 37 -6.338 -8.009 -25.380
239 HA2 GLY 37 1HA GLY 37 -5.120 -8.834 -27.940
240 HA3 GLY 37 2HA GLY 37 -4.129 -8.455 -26.540
241 H GLY 38 H GLY 38 -7.148 -10.042 -26.006
242 HA2 GLY 38 1HA GLY 38 -7.563 -12.390 -25.898
243 HA3 GLY 38 2HA GLY 38 -5.827 -12.663 -25.878
244 H GLY 39 H GLY 39 -5.692 -10.368 -23.837
245 HA2 GLY 39 1HA GLY 39 -6.196 -12.105 -21.523
246 HA3 GLY 39 2HA GLY 39 -5.103 -10.729 -21.556
247 H SER 40 H SER 40 -5.790 -8.888 -20.680
248 HA SER 40 HA SER 40 -7.127 -7.395 -19.600
249 HB2 SER 40 1HB SER 40 -8.939 -8.302 -21.835
250 HB3 SER 40 2HB SER 40 -9.423 -7.051 -20.690
251 HG SER 40 HG SER 40 -7.211 -7.012 -22.464
252 H TYR 41 H TYR 41 -6.955 -9.828 -18.328
253 HA TYR 41 HA TYR 41 -9.496 -10.919 -17.661
254 HB2 TYR 41 1HB TYR 41 -7.048 -11.884 -17.387
255 HB3 TYR 41 2HB TYR 41 -7.175 -11.145 -15.795
256 HD1 TYR 41 HD2 TYR 41 -8.774 -11.987 -14.155
257 HD2 TYR 41 HD1 TYR 41 -8.389 -13.809 -17.981
258 HE1 TYR 41 HE2 TYR 41 -10.011 -13.949 -13.338
259 HE2 TYR 41 HE1 TYR 41 -9.626 -15.776 -17.175
260 HH TYR 41 HH TYR 41 -10.159 -16.423 -13.965
261 H HIS 42 H HIS 42 -10.489 -10.858 -15.528
262 HA HIS 42 HA HIS 42 -10.436 -8.147 -14.440
263 HB2 HIS 42 1HB HIS 42 -12.403 -10.414 -14.314
264 HB3 HIS 42 2HB HIS 42 -12.500 -9.083 -13.164
265 HD1 HIS 42 HD1 HIS 42 -11.534 -8.461 -16.728
266 HD2 HIS 42 HD2 HIS 42 -14.866 -8.102 -14.271
267 HE1 HIS 42 HE1 HIS 42 -13.195 -7.104 -18.041
268 H CYS 43 H CYS 43 -8.221 -9.761 -13.812
269 HA CYS 43 HA CYS 43 -8.669 -10.475 -10.996
270 HB2 CYS 43 1HB CYS 43 -7.689 -12.228 -12.448
271 HB3 CYS 43 2HB CYS 43 -6.329 -11.162 -12.788
272 H1 NAG 101 H1 NAG 100 5.210 19.762 -21.341
273 H2 NAG 101 HC2 NAG 100 7.281 20.063 -19.096
274 H3 NAG 101 HC3 NAG 100 6.028 22.146 -20.979
275 H4 NAG 101 HC4 NAG 100 8.871 20.969 -20.960
276 H5 NAG 101 H5 NAG 100 6.510 20.500 -22.867
277 H61 NAG 101 1H6 NAG 100 8.732 20.663 -24.024
278 H62 NAG 101 2H6 NAG 100 9.410 19.471 -22.906
279 H81 NAG 101 3H8 NAG 100 3.921 21.510 -16.647
280 H82 NAG 101 1H8 NAG 100 3.034 20.075 -17.261
281 H83 NAG 101 2H8 NAG 100 4.098 19.925 -15.822
282 HN2 NAG 101 H2 NAG 100 4.684 21.495 -19.096
283 HO3 NAG 101 H3 NAG 100 7.720 23.468 -20.051
284 HO4 NAG 101 H4 NAG 100 9.239 22.362 -22.603
285 HO6 NAG 101 HO6 NAG 100 7.423 18.114 -23.672
286 H1 NAG 102 H1 NAG 200 -5.888 -13.128 -8.900
287 H2 NAG 102 HC2 NAG 200 -6.921 -11.100 -6.840
288 H3 NAG 102 HC3 NAG 200 -6.198 -14.074 -6.557
289 H4 NAG 102 HC4 NAG 200 -8.958 -12.714 -6.572
290 H5 NAG 102 H5 NAG 200 -7.555 -14.447 -8.685
291 H61 NAG 102 1H6 NAG 200 -10.005 -14.931 -8.440
292 H62 NAG 102 2H6 NAG 200 -10.369 -13.206 -8.594
293 H81 NAG 102 3H8 NAG 200 -2.671 -9.284 -6.751
294 H82 NAG 102 1H8 NAG 200 -2.846 -10.381 -5.340
295 H83 NAG 102 2H8 NAG 200 -2.348 -11.041 -6.934
296 HN2 NAG 102 H2 NAG 200 -4.347 -12.541 -6.533
297 HO3 NAG 102 H3 NAG 200 -7.238 -13.756 -4.485
298 HO4 NAG 102 H4 NAG 200 -9.725 -14.725 -6.195
299 HO6 NAG 102 HO6 NAG 200 -9.002 -13.446 -10.704
Start of MODEL 8
1 H1 LYS 1 H LYS 1 1.510 -2.230 -3.354
2 HA LYS 1 HA LYS 1 2.380 -2.010 -5.508
3 HB2 LYS 1 1HB LYS 1 2.078 0.642 -4.175
4 HB3 LYS 1 2HB LYS 1 2.778 0.600 -5.788
5 HG2 LYS 1 1HG LYS 1 0.831 -0.134 -6.764
6 HG3 LYS 1 2HG LYS 1 0.223 -0.844 -5.267
7 HD2 LYS 1 1HD LYS 1 -0.209 1.356 -4.357
8 HD3 LYS 1 2HD LYS 1 0.506 2.116 -5.780
9 HE2 LYS 1 1HE LYS 1 -1.631 2.221 -6.482
10 HE3 LYS 1 2HE LYS 1 -1.353 0.543 -6.946
11 HZ1 LYS 1 3HZ LYS 1 -2.744 1.570 -4.547
12 HZ2 LYS 1 1HZ LYS 1 -2.177 -0.022 -4.633
13 HZ3 LYS 1 2HZ LYS 1 -3.335 0.524 -5.739
14 HA PRO 2 HA PRO 2 6.749 -1.920 -5.902
15 HB2 PRO 2 1HB PRO 2 7.092 -0.826 -8.363
16 HB3 PRO 2 2HB PRO 2 6.466 -2.461 -8.117
17 HG2 PRO 2 1HG PRO 2 4.976 0.073 -8.681
18 HG3 PRO 2 2HG PRO 2 4.730 -1.545 -9.363
19 HD2 PRO 2 1HD PRO 2 3.180 -0.549 -7.379
20 HD3 PRO 2 2HD PRO 2 3.553 -2.279 -7.523
21 H ALA 3 H ALA 3 8.504 -0.264 -7.015
22 HA ALA 3 HA ALA 3 8.330 2.104 -5.333
23 HB1 ALA 3 1HB ALA 3 10.608 2.206 -5.406
24 HB2 ALA 3 2HB ALA 3 10.381 0.482 -5.707
25 HB3 ALA 3 3HB ALA 3 10.696 1.579 -7.052
26 H TRP 4 H TRP 4 7.018 1.529 -8.134
27 HA TRP 4 HA TRP 4 7.942 3.973 -9.476
28 HB2 TRP 4 1HB TRP 4 5.987 2.234 -10.849
29 HB3 TRP 4 2HB TRP 4 7.441 3.010 -11.471
30 HD1 TRP 4 HD1 TRP 4 9.709 1.695 -9.865
31 HE1 TRP 4 HE1 TRP 4 10.214 -0.822 -10.054
32 HE3 TRP 4 HE3 TRP 4 5.179 0.086 -11.605
33 HZ2 TRP 4 HZ2 TRP 4 8.870 -3.177 -10.838
34 HZ3 TRP 4 HZ3 TRP 4 4.871 -2.314 -12.050
35 HH2 TRP 4 HH2 TRP 4 6.680 -3.910 -11.674
36 H CYS 5 H CYS 5 4.931 2.267 -8.630
37 HA CYS 5 HA CYS 5 3.366 4.662 -9.084
38 HB2 CYS 5 1HB CYS 5 2.377 2.094 -7.854
39 HB3 CYS 5 2HB CYS 5 1.452 3.309 -8.730
40 H TRP 6 H TRP 6 1.468 4.584 -7.132
41 HA TRP 6 HA TRP 6 2.703 4.590 -4.523
42 HB2 TRP 6 1HB TRP 6 2.984 6.907 -5.942
43 HB3 TRP 6 2HB TRP 6 1.474 7.207 -5.086
44 HD1 TRP 6 HD1 TRP 6 5.192 7.120 -4.587
45 HE1 TRP 6 HE1 TRP 6 5.753 7.694 -2.141
46 HE3 TRP 6 HE3 TRP 6 0.490 6.873 -2.596
47 HZ2 TRP 6 HZ2 TRP 6 4.383 8.001 0.308
48 HZ3 TRP 6 HZ3 TRP 6 0.201 7.320 -0.194
49 HH2 TRP 6 HH2 TRP 6 2.109 7.871 1.226
50 H TYR 7 H TYR 7 -0.085 5.490 -6.505
51 HA TYR 7 HA TYR 7 -1.905 3.975 -4.995
52 HB2 TYR 7 1HB TYR 7 -1.280 6.281 -3.655
53 HB3 TYR 7 2HB TYR 7 -2.707 6.770 -4.562
54 HD1 TYR 7 HD2 TYR 7 -1.691 3.658 -2.744
55 HD2 TYR 7 HD1 TYR 7 -4.611 6.707 -3.272
56 HE1 TYR 7 HE2 TYR 7 -3.122 2.570 -1.066
57 HE2 TYR 7 HE1 TYR 7 -6.049 5.628 -1.595
58 HH TYR 7 HH TYR 7 -4.990 3.330 0.531
59 H THR 8 H THR 8 -4.267 5.306 -5.395
60 HA THR 8 HA THR 8 -4.375 5.411 -8.325
61 HB THR 8 HB THR 8 -6.785 5.244 -6.535
62 HG1 THR 8 HG1 THR 8 -4.991 3.183 -7.294
63 HG21 THR 8 3HG2 THR 8 -7.867 5.102 -8.475
64 HG22 THR 8 1HG2 THR 8 -6.919 3.682 -8.916
65 HG23 THR 8 2HG2 THR 8 -6.340 5.295 -9.335
66 H LEU 9 H LEU 9 -3.550 7.655 -6.554
67 HA LEU 9 HA LEU 9 -5.616 9.574 -6.408
68 HB2 LEU 9 1HB LEU 9 -2.666 9.580 -6.175
69 HB3 LEU 9 2HB LEU 9 -3.438 11.125 -6.528
70 HG LEU 9 HG LEU 9 -4.695 9.711 -4.311
71 HD11 LEU 9 1HD1 LEU 9 -2.244 9.025 -4.151
72 HD12 LEU 9 2HD1 LEU 9 -2.963 9.797 -2.738
73 HD13 LEU 9 3HD1 LEU 9 -1.915 10.724 -3.810
74 HD21 LEU 9 3HD2 LEU 9 -5.187 12.014 -4.813
75 HD22 LEU 9 1HD2 LEU 9 -3.482 12.447 -4.680
76 HD23 LEU 9 2HD2 LEU 9 -4.374 11.927 -3.250
77 H ALA 10 H ALA 10 -3.449 8.605 -8.956
78 HA ALA 10 HA ALA 10 -3.356 9.132 -11.169
79 HB1 ALA 10 1HB ALA 10 -5.863 10.731 -11.013
80 HB2 ALA 10 2HB ALA 10 -5.316 9.608 -12.258
81 HB3 ALA 10 3HB ALA 10 -5.940 8.993 -10.727
82 H MET 11 H MET 11 -1.610 10.566 -10.069
83 HA MET 11 HA MET 11 -2.006 13.354 -9.890
84 HB2 MET 11 1HB MET 11 0.518 11.749 -10.322
85 HB3 MET 11 2HB MET 11 0.489 13.472 -9.974
86 HG2 MET 11 1HG MET 11 -0.238 13.154 -7.799
87 HG3 MET 11 2HG MET 11 -0.850 11.537 -8.136
88 HE1 MET 11 3HE MET 11 2.017 9.394 -8.662
89 HE2 MET 11 1HE MET 11 1.181 9.255 -7.116
90 HE3 MET 11 2HE MET 11 0.276 9.662 -8.574
91 H CYS 12 H CYS 12 -0.013 11.654 -12.311
92 HA CYS 12 HA CYS 12 0.207 13.730 -14.116
93 HB2 CYS 12 1HB CYS 12 0.900 12.118 -15.730
94 HB3 CYS 12 2HB CYS 12 1.430 11.517 -14.162
95 H GLY 13 H GLY 13 -0.820 14.114 -16.174
96 HA2 GLY 13 1HA GLY 13 -2.615 13.964 -17.696
97 HA3 GLY 13 2HA GLY 13 -3.499 12.998 -16.523
98 H ALA 14 H ALA 14 -2.792 15.027 -14.403
99 HA ALA 14 HA ALA 14 -4.892 16.961 -15.118
100 HB1 ALA 14 1HB ALA 14 -5.184 17.255 -12.678
101 HB2 ALA 14 2HB ALA 14 -5.488 15.604 -13.220
102 HB3 ALA 14 3HB ALA 14 -3.972 16.001 -12.412
103 H GLY 15 H GLY 15 -1.973 17.123 -15.745
104 HA2 GLY 15 1HA GLY 15 -0.887 19.246 -16.071
105 HA3 GLY 15 2HA GLY 15 -1.531 19.766 -14.521
106 H TYR 16 H TYR 16 -0.745 16.977 -13.498
107 HA TYR 16 HA TYR 16 1.622 17.715 -12.221
108 HB2 TYR 16 1HB TYR 16 0.030 15.249 -12.491
109 HB3 TYR 16 2HB TYR 16 1.730 14.994 -12.112
110 HD1 TYR 16 HD1 TYR 16 2.673 15.828 -10.006
111 HD2 TYR 16 HD2 TYR 16 -1.469 16.243 -10.889
112 HE1 TYR 16 HE1 TYR 16 2.222 16.315 -7.637
113 HE2 TYR 16 HE2 TYR 16 -1.930 16.732 -8.523
114 HH TYR 16 HH TYR 16 -0.531 17.698 -6.536
115 H ASP 17 H ASP 17 1.080 16.209 -15.306
116 HA ASP 17 HA ASP 17 3.992 16.137 -15.733
117 HB2 ASP 17 1HB ASP 17 1.950 14.139 -16.727
118 HB3 ASP 17 2HB ASP 17 3.641 14.173 -17.221
119 H SER 18 H SER 18 4.188 15.664 -18.344
120 HA SER 18 HA SER 18 3.149 18.105 -19.502
121 HB2 SER 18 1HB SER 18 5.534 17.193 -19.796
122 HB3 SER 18 2HB SER 18 4.825 16.051 -20.937
123 H GLY 19 H GLY 19 0.918 17.249 -19.296
124 HA2 GLY 19 1HA GLY 19 -0.149 15.153 -18.886
125 HA3 GLY 19 2HA GLY 19 -0.604 15.583 -20.528
126 H THR 20 H THR 20 1.762 13.766 -18.627
127 HA THR 20 HA THR 20 1.733 11.662 -20.622
128 HB THR 20 HB THR 20 3.555 13.255 -21.334
129 HG1 THR 20 HG1 THR 20 4.261 11.447 -22.157
130 HG21 THR 20 3HG2 THR 20 4.308 13.884 -19.072
131 HG22 THR 20 1HG2 THR 20 5.630 13.270 -20.064
132 HG23 THR 20 2HG2 THR 20 4.903 12.243 -18.828
133 H CYS 21 H CYS 21 2.095 9.676 -19.759
134 HA CYS 21 HA CYS 21 3.071 9.544 -16.987
135 HB2 CYS 21 1HB CYS 21 0.819 7.828 -18.030
136 HB3 CYS 21 2HB CYS 21 1.359 8.007 -16.364
137 H ASP 22 H ASP 22 3.130 6.923 -16.522
138 HA ASP 22 HA ASP 22 4.269 5.488 -18.763
139 HB2 ASP 22 1HB ASP 22 5.937 6.859 -16.817
140 HB3 ASP 22 2HB ASP 22 6.252 5.126 -16.839
141 H TYR 23 H TYR 23 4.765 5.167 -15.261
142 HA TYR 23 HA TYR 23 4.170 2.412 -15.241
143 HB2 TYR 23 1HB TYR 23 3.994 4.233 -12.843
144 HB3 TYR 23 2HB TYR 23 4.404 2.521 -12.877
145 HD1 TYR 23 HD2 TYR 23 6.507 2.095 -14.613
146 HD2 TYR 23 HD1 TYR 23 5.760 5.613 -12.340
147 HE1 TYR 23 HE2 TYR 23 8.897 2.666 -14.723
148 HE2 TYR 23 HE1 TYR 23 8.147 6.195 -12.444
149 HH TYR 23 HH TYR 23 10.454 4.421 -12.885
150 H MET 24 H MET 24 2.183 5.233 -15.012
151 HA MET 24 HA MET 24 -0.053 4.137 -13.704
152 HB2 MET 24 1HB MET 24 0.254 6.413 -15.653
153 HB3 MET 24 2HB MET 24 -1.304 5.981 -14.962
154 HG2 MET 24 1HG MET 24 -0.656 7.597 -13.501
155 HG3 MET 24 2HG MET 24 0.010 6.177 -12.699
156 HE1 MET 24 3HE MET 24 2.263 5.450 -12.645
157 HE2 MET 24 1HE MET 24 3.671 6.507 -12.755
158 HE3 MET 24 2HE MET 24 2.457 6.784 -11.506
159 H TYR 25 H TYR 25 0.813 4.316 -17.134
160 HA TYR 25 HA TYR 25 -1.583 3.163 -18.105
161 HB2 TYR 25 1HB TYR 25 1.159 3.572 -19.259
162 HB3 TYR 25 2HB TYR 25 -0.050 2.645 -20.140
163 HD1 TYR 25 HD1 TYR 25 -0.071 5.839 -18.186
164 HD2 TYR 25 HD2 TYR 25 -1.039 3.857 -21.824
165 HE1 TYR 25 HE1 TYR 25 -1.027 7.928 -19.062
166 HE2 TYR 25 HE2 TYR 25 -1.998 5.942 -22.711
167 HH TYR 25 HH TYR 25 -1.724 8.416 -22.294
168 H SER 26 H SER 26 0.930 1.834 -16.341
169 HA SER 26 HA SER 26 0.812 -0.810 -17.523
170 HB2 SER 26 1HB SER 26 2.859 0.358 -16.375
171 HB3 SER 26 2HB SER 26 2.120 -0.230 -14.886
172 HG SER 26 HG SER 26 3.395 -1.872 -15.491
173 H HIS 27 H HIS 27 -1.638 0.332 -16.441
174 HA HIS 27 HA HIS 27 -3.429 -0.244 -15.159
175 HB2 HIS 27 1HB HIS 27 -2.733 -2.461 -16.367
176 HB3 HIS 27 2HB HIS 27 -2.241 -2.966 -14.753
177 HD1 HIS 27 HD1 HIS 27 -4.098 -4.771 -14.702
178 HD2 HIS 27 HD2 HIS 27 -5.507 -0.881 -15.084
179 HE1 HIS 27 HE1 HIS 27 -6.568 -4.903 -14.250
180 H CYS 28 H CYS 28 -1.643 1.149 -13.718
181 HA CYS 28 HA CYS 28 -1.475 -0.276 -11.145
182 HB2 CYS 28 1HB CYS 28 0.607 0.805 -12.461
183 HB3 CYS 28 2HB CYS 28 0.084 2.217 -11.548
184 H PHE 29 H PHE 29 -2.877 2.340 -12.835
185 HA PHE 29 HA PHE 29 -3.889 3.462 -10.305
186 HB2 PHE 29 1HB PHE 29 -3.150 4.791 -12.896
187 HB3 PHE 29 2HB PHE 29 -4.315 5.540 -11.809
188 HD1 PHE 29 HD2 PHE 29 -1.042 3.793 -11.383
189 HD2 PHE 29 HD1 PHE 29 -3.408 7.238 -10.577
190 HE1 PHE 29 HE2 PHE 29 0.807 4.751 -10.072
191 HE2 PHE 29 HE1 PHE 29 -1.563 8.203 -9.266
192 HZ PHE 29 HZ PHE 29 0.548 6.960 -9.012
193 H GLY 30 H GLY 30 -4.652 2.193 -13.440
194 HA2 GLY 30 1HA GLY 30 -6.683 1.280 -14.120
195 HA3 GLY 30 2HA GLY 30 -7.436 1.949 -12.680
196 H VAL 31 H VAL 31 -5.536 3.825 -14.958
197 HA VAL 31 HA VAL 31 -7.939 5.403 -15.553
198 HB VAL 31 HB VAL 31 -6.311 7.117 -16.393
199 HG11 VAL 31 1HG1 VAL 31 -6.346 6.191 -13.547
200 HG12 VAL 31 2HG1 VAL 31 -5.407 7.608 -14.021
201 HG13 VAL 31 3HG1 VAL 31 -7.152 7.578 -14.279
202 HG21 VAL 31 3HG2 VAL 31 -4.025 6.186 -14.952
203 HG22 VAL 31 1HG2 VAL 31 -4.500 4.973 -16.141
204 HG23 VAL 31 2HG2 VAL 31 -4.160 6.626 -16.654
205 H LYS 32 H LYS 32 -5.413 3.494 -17.025
206 HA LYS 32 HA LYS 32 -5.615 4.241 -19.681
207 HB2 LYS 32 1HB LYS 32 -3.994 2.589 -18.649
208 HB3 LYS 32 2HB LYS 32 -5.277 1.391 -18.746
209 HG2 LYS 32 1HG LYS 32 -5.219 2.389 -21.293
210 HG3 LYS 32 2HG LYS 32 -3.517 2.429 -20.825
211 HD2 LYS 32 1HD LYS 32 -5.226 -0.005 -20.396
212 HD3 LYS 32 2HD LYS 32 -4.393 0.291 -21.924
213 HE2 LYS 32 1HE LYS 32 -2.312 0.634 -20.378
214 HE3 LYS 32 2HE LYS 32 -3.263 -0.297 -19.222
215 HZ1 LYS 32 3HZ LYS 32 -1.710 -1.282 -21.279
216 HZ2 LYS 32 1HZ LYS 32 -3.309 -1.532 -21.771
217 HZ3 LYS 32 2HZ LYS 32 -2.772 -2.157 -20.294
218 H HIS 33 H HIS 33 -7.107 4.027 -21.229
219 HA HIS 33 HA HIS 33 -9.735 3.260 -20.672
220 HB2 HIS 33 1HB HIS 33 -8.439 3.344 -23.403
221 HB3 HIS 33 2HB HIS 33 -10.156 3.500 -23.042
222 HD1 HIS 33 HD1 HIS 33 -10.870 5.740 -21.781
223 HD2 HIS 33 HD2 HIS 33 -7.015 5.684 -23.330
224 HE1 HIS 33 HE1 HIS 33 -10.126 8.142 -21.823
225 H SER 34 H SER 34 -10.845 1.603 -22.303
226 HA SER 34 HA SER 34 -11.322 -0.608 -22.589
227 HB2 SER 34 1HB SER 34 -8.410 -0.497 -23.378
228 HB3 SER 34 2HB SER 34 -9.381 -1.959 -23.551
229 HG SER 34 HG SER 34 -9.635 0.513 -24.873
230 H SER 35 H SER 35 -11.011 -0.015 -19.950
231 HA SER 35 HA SER 35 -9.169 -1.850 -18.702
232 HB2 SER 35 1HB SER 35 -10.470 -1.114 -16.599
233 HB3 SER 35 2HB SER 35 -9.525 0.110 -17.447
234 HG SER 35 HG SER 35 -11.314 1.081 -18.079
235 H GLY 36 H GLY 36 -10.122 -3.699 -19.960
236 HA2 GLY 36 1HA GLY 36 -12.236 -4.940 -18.329
237 HA3 GLY 36 2HA GLY 36 -12.378 -4.942 -20.081
238 H GLY 37 H GLY 37 -9.907 -5.734 -17.625
239 HA2 GLY 37 1HA GLY 37 -9.592 -8.352 -18.917
240 HA3 GLY 37 2HA GLY 37 -8.172 -7.335 -18.722
241 H GLY 38 H GLY 38 -10.577 -7.158 -16.265
242 HA2 GLY 38 1HA GLY 38 -8.760 -8.617 -14.462
243 HA3 GLY 38 2HA GLY 38 -9.889 -7.365 -13.965
244 H GLY 39 H GLY 39 -12.010 -7.886 -13.533
245 HA2 GLY 39 1HA GLY 39 -13.546 -9.982 -14.231
246 HA3 GLY 39 2HA GLY 39 -12.495 -10.696 -13.018
247 H SER 40 H SER 40 -13.201 -10.648 -10.995
248 HA SER 40 HA SER 40 -15.652 -9.446 -10.291
249 HB2 SER 40 1HB SER 40 -13.586 -10.250 -8.258
250 HB3 SER 40 2HB SER 40 -15.342 -10.378 -8.161
251 HG SER 40 HG SER 40 -14.646 -12.405 -8.596
252 H TYR 41 H TYR 41 -16.139 -7.645 -9.072
253 HA TYR 41 HA TYR 41 -14.072 -5.948 -8.007
254 HB2 TYR 41 1HB TYR 41 -14.380 -5.519 -10.596
255 HB3 TYR 41 2HB TYR 41 -15.784 -4.604 -10.057
256 HD1 TYR 41 HD1 TYR 41 -12.120 -4.786 -10.036
257 HD2 TYR 41 HD2 TYR 41 -15.523 -2.540 -8.821
258 HE1 TYR 41 HE1 TYR 41 -10.668 -2.864 -9.544
259 HE2 TYR 41 HE2 TYR 41 -14.080 -0.610 -8.327
260 HH TYR 41 HH TYR 41 -10.583 -0.729 -8.928
261 H HIS 42 H HIS 42 -14.969 -4.033 -6.920
262 HA HIS 42 HA HIS 42 -17.589 -4.661 -5.792
263 HB2 HIS 42 1HB HIS 42 -15.306 -2.911 -4.905
264 HB3 HIS 42 2HB HIS 42 -16.899 -2.779 -4.164
265 HD1 HIS 42 HD1 HIS 42 -17.812 -5.324 -3.344
266 HD2 HIS 42 HD2 HIS 42 -13.723 -4.623 -3.558
267 HE1 HIS 42 HE1 HIS 42 -16.753 -7.077 -1.886
268 H CYS 43 H CYS 43 -17.603 -3.645 -8.413
269 HA CYS 43 HA CYS 43 -18.768 -0.970 -7.989
270 HB2 CYS 43 1HB CYS 43 -17.014 -2.035 -10.145
271 HB3 CYS 43 2HB CYS 43 -18.278 -0.904 -10.617
272 H1 NAG 101 H1 NAG 100 4.562 19.543 -22.200
273 H2 NAG 101 HC2 NAG 100 6.910 19.951 -20.265
274 H3 NAG 101 HC3 NAG 100 5.274 21.970 -21.908
275 H4 NAG 101 HC4 NAG 100 8.158 20.979 -22.317
276 H5 NAG 101 H5 NAG 100 5.582 20.380 -23.879
277 H61 NAG 101 1H6 NAG 100 7.602 20.699 -25.335
278 H62 NAG 101 2H6 NAG 100 8.505 19.541 -24.349
279 H81 NAG 101 3H8 NAG 100 3.972 21.127 -17.209
280 H82 NAG 101 1H8 NAG 100 2.947 19.832 -17.913
281 H83 NAG 101 2H8 NAG 100 4.146 19.433 -16.637
282 HN2 NAG 101 H2 NAG 100 4.255 21.214 -19.867
283 HO3 NAG 101 H3 NAG 100 6.996 23.388 -21.203
284 HO4 NAG 101 H4 NAG 100 8.200 22.411 -23.967
285 HO6 NAG 101 HO6 NAG 100 6.518 18.067 -24.854
286 H1 NAG 102 H1 NAG 200 -15.789 1.939 -9.766
287 H2 NAG 102 HC2 NAG 200 -18.165 3.770 -9.115
288 H3 NAG 102 HC3 NAG 200 -15.218 4.420 -9.701
289 H4 NAG 102 HC4 NAG 200 -16.762 4.517 -7.042
290 H5 NAG 102 H5 NAG 200 -14.642 2.546 -8.069
291 H61 NAG 102 1H6 NAG 200 -14.381 3.144 -5.645
292 H62 NAG 102 2H6 NAG 200 -16.087 2.772 -5.362
293 H81 NAG 102 3H8 NAG 200 -17.841 4.079 -13.545
294 H82 NAG 102 1H8 NAG 200 -18.856 2.598 -13.576
295 H83 NAG 102 2H8 NAG 200 -19.620 4.205 -13.331
296 HN2 NAG 102 H2 NAG 200 -16.597 3.993 -11.623
297 HO3 NAG 102 H3 NAG 200 -15.910 6.524 -8.950
298 HO4 NAG 102 H4 NAG 200 -14.889 5.284 -6.217
299 HO6 NAG 102 HO6 NAG 200 -15.443 0.579 -6.437
Start of MODEL 9
1 H1 LYS 1 H LYS 1 2.291 -2.566 -3.308
2 HA LYS 1 HA LYS 1 2.370 -1.886 -5.548
3 HB2 LYS 1 1HB LYS 1 2.004 0.762 -4.232
4 HB3 LYS 1 2HB LYS 1 2.759 0.735 -5.820
5 HG2 LYS 1 1HG LYS 1 0.857 -0.056 -6.860
6 HG3 LYS 1 2HG LYS 1 0.195 -0.726 -5.367
7 HD2 LYS 1 1HD LYS 1 0.200 1.814 -4.640
8 HD3 LYS 1 2HD LYS 1 0.150 2.071 -6.385
9 HE2 LYS 1 1HE LYS 1 -2.094 2.001 -5.839
10 HE3 LYS 1 2HE LYS 1 -1.780 0.336 -6.324
11 HZ1 LYS 1 3HZ LYS 1 -1.928 -0.414 -4.184
12 HZ2 LYS 1 1HZ LYS 1 -3.043 0.858 -4.124
13 HZ3 LYS 1 2HZ LYS 1 -1.486 1.068 -3.497
14 HA PRO 2 HA PRO 2 6.742 -1.754 -5.891
15 HB2 PRO 2 1HB PRO 2 7.106 -0.662 -8.349
16 HB3 PRO 2 2HB PRO 2 6.492 -2.302 -8.108
17 HG2 PRO 2 1HG PRO 2 4.986 0.218 -8.696
18 HG3 PRO 2 2HG PRO 2 4.763 -1.404 -9.378
19 HD2 PRO 2 1HD PRO 2 3.179 -0.419 -7.415
20 HD3 PRO 2 2HD PRO 2 3.570 -2.145 -7.550
21 H ALA 3 H ALA 3 8.489 -0.077 -7.003
22 HA ALA 3 HA ALA 3 8.286 2.283 -5.314
23 HB1 ALA 3 1HB ALA 3 10.428 0.675 -6.381
24 HB2 ALA 3 2HB ALA 3 10.702 2.388 -6.701
25 HB3 ALA 3 3HB ALA 3 10.445 1.830 -5.048
26 H TRP 4 H TRP 4 7.003 1.687 -8.138
27 HA TRP 4 HA TRP 4 7.854 4.191 -9.424
28 HB2 TRP 4 1HB TRP 4 6.050 2.420 -10.927
29 HB3 TRP 4 2HB TRP 4 7.537 3.216 -11.438
30 HD1 TRP 4 HD1 TRP 4 9.741 1.906 -9.807
31 HE1 TRP 4 HE1 TRP 4 10.262 -0.609 -9.959
32 HE3 TRP 4 HE3 TRP 4 5.257 0.258 -11.625
33 HZ2 TRP 4 HZ2 TRP 4 8.946 -2.979 -10.747
34 HZ3 TRP 4 HZ3 TRP 4 4.970 -2.149 -12.051
35 HH2 TRP 4 HH2 TRP 4 6.778 -3.732 -11.621
36 H CYS 5 H CYS 5 4.998 2.352 -8.428
37 HA CYS 5 HA CYS 5 3.257 4.605 -9.031
38 HB2 CYS 5 1HB CYS 5 2.450 2.011 -7.723
39 HB3 CYS 5 2HB CYS 5 1.434 3.140 -8.613
40 H TRP 6 H TRP 6 1.367 4.473 -7.077
41 HA TRP 6 HA TRP 6 2.563 4.610 -4.463
42 HB2 TRP 6 1HB TRP 6 2.830 6.892 -5.931
43 HB3 TRP 6 2HB TRP 6 1.290 7.185 -5.126
44 HD1 TRP 6 HD1 TRP 6 4.981 7.263 -4.540
45 HE1 TRP 6 HE1 TRP 6 5.466 7.890 -2.091
46 HE3 TRP 6 HE3 TRP 6 0.261 6.800 -2.633
47 HZ2 TRP 6 HZ2 TRP 6 4.037 8.152 0.329
48 HZ3 TRP 6 HZ3 TRP 6 -0.095 7.256 -0.241
49 HH2 TRP 6 HH2 TRP 6 1.755 7.918 1.207
50 H TYR 7 H TYR 7 -0.220 5.563 -6.454
51 HA TYR 7 HA TYR 7 -2.039 3.991 -4.970
52 HB2 TYR 7 1HB TYR 7 -1.452 6.304 -3.637
53 HB3 TYR 7 2HB TYR 7 -2.861 6.789 -4.575
54 HD1 TYR 7 HD2 TYR 7 -1.892 3.677 -2.733
55 HD2 TYR 7 HD1 TYR 7 -4.780 6.749 -3.306
56 HE1 TYR 7 HE2 TYR 7 -3.358 2.600 -1.078
57 HE2 TYR 7 HE1 TYR 7 -6.253 5.681 -1.651
58 HH TYR 7 HH TYR 7 -6.597 3.380 -0.706
59 H THR 8 H THR 8 -4.412 5.270 -5.413
60 HA THR 8 HA THR 8 -4.506 5.300 -8.339
61 HB THR 8 HB THR 8 -6.924 5.290 -6.550
62 HG1 THR 8 HG1 THR 8 -6.785 2.989 -6.616
63 HG21 THR 8 3HG2 THR 8 -6.527 5.276 -9.324
64 HG22 THR 8 1HG2 THR 8 -8.038 4.994 -8.460
65 HG23 THR 8 2HG2 THR 8 -7.009 3.633 -8.905
66 H LEU 9 H LEU 9 -3.648 7.594 -6.603
67 HA LEU 9 HA LEU 9 -5.681 9.570 -6.649
68 HB2 LEU 9 1HB LEU 9 -2.771 9.488 -6.147
69 HB3 LEU 9 2HB LEU 9 -3.434 11.044 -6.643
70 HG LEU 9 HG LEU 9 -5.003 9.856 -4.521
71 HD11 LEU 9 1HD1 LEU 9 -3.493 9.606 -2.824
72 HD12 LEU 9 2HD1 LEU 9 -2.290 10.643 -3.589
73 HD13 LEU 9 3HD1 LEU 9 -2.540 9.000 -4.179
74 HD21 LEU 9 3HD2 LEU 9 -4.502 12.061 -3.478
75 HD22 LEU 9 1HD2 LEU 9 -5.183 12.173 -5.101
76 HD23 LEU 9 2HD2 LEU 9 -3.455 12.421 -4.852
77 H ALA 10 H ALA 10 -3.360 8.450 -8.986
78 HA ALA 10 HA ALA 10 -3.071 8.906 -11.198
79 HB1 ALA 10 1HB ALA 10 -5.626 8.783 -11.073
80 HB2 ALA 10 2HB ALA 10 -5.583 10.544 -11.152
81 HB3 ALA 10 3HB ALA 10 -4.908 9.586 -12.470
82 H MET 11 H MET 11 -1.363 10.306 -9.986
83 HA MET 11 HA MET 11 -1.538 13.050 -9.738
84 HB2 MET 11 1HB MET 11 0.876 11.477 -10.654
85 HB3 MET 11 2HB MET 11 0.898 13.092 -9.959
86 HG2 MET 11 1HG MET 11 -0.226 10.752 -8.465
87 HG3 MET 11 2HG MET 11 1.494 11.130 -8.447
88 HE1 MET 11 3HE MET 11 -0.572 11.668 -5.298
89 HE2 MET 11 1HE MET 11 -1.862 12.536 -6.131
90 HE3 MET 11 2HE MET 11 -1.293 10.989 -6.759
91 H CYS 12 H CYS 12 0.091 11.465 -12.487
92 HA CYS 12 HA CYS 12 0.187 13.687 -14.139
93 HB2 CYS 12 1HB CYS 12 0.684 12.192 -15.933
94 HB3 CYS 12 2HB CYS 12 1.377 11.488 -14.476
95 H GLY 13 H GLY 13 -1.032 14.233 -16.049
96 HA2 GLY 13 1HA GLY 13 -2.991 14.062 -17.410
97 HA3 GLY 13 2HA GLY 13 -3.794 13.226 -16.089
98 H ALA 14 H ALA 14 -2.956 15.111 -14.055
99 HA ALA 14 HA ALA 14 -4.884 17.229 -14.666
100 HB1 ALA 14 1HB ALA 14 -4.854 17.637 -12.218
101 HB2 ALA 14 2HB ALA 14 -5.351 16.002 -12.655
102 HB3 ALA 14 3HB ALA 14 -3.722 16.295 -12.047
103 H GLY 15 H GLY 15 -2.034 17.150 -15.606
104 HA2 GLY 15 1HA GLY 15 -0.802 19.118 -16.163
105 HA3 GLY 15 2HA GLY 15 -1.332 19.839 -14.651
106 H TYR 16 H TYR 16 -0.643 17.026 -13.484
107 HA TYR 16 HA TYR 16 1.754 17.726 -12.269
108 HB2 TYR 16 1HB TYR 16 0.149 15.258 -12.517
109 HB3 TYR 16 2HB TYR 16 1.846 15.019 -12.114
110 HD1 TYR 16 HD2 TYR 16 -1.169 16.934 -11.053
111 HD2 TYR 16 HD1 TYR 16 2.554 15.226 -9.905
112 HE1 TYR 16 HE2 TYR 16 -1.660 17.460 -8.701
113 HE2 TYR 16 HE1 TYR 16 2.073 15.746 -7.549
114 HH TYR 16 HH TYR 16 0.342 17.746 -6.424
115 H ASP 17 H ASP 17 1.156 16.178 -15.327
116 HA ASP 17 HA ASP 17 4.063 16.057 -15.784
117 HB2 ASP 17 1HB ASP 17 1.961 14.118 -16.768
118 HB3 ASP 17 2HB ASP 17 3.646 14.111 -17.280
119 H SER 18 H SER 18 4.234 15.597 -18.396
120 HA SER 18 HA SER 18 3.254 18.069 -19.537
121 HB2 SER 18 1HB SER 18 5.198 15.955 -20.414
122 HB3 SER 18 2HB SER 18 4.582 17.125 -21.580
123 H GLY 19 H GLY 19 1.000 17.290 -19.319
124 HA2 GLY 19 1HA GLY 19 -0.133 15.227 -18.906
125 HA3 GLY 19 2HA GLY 19 -0.589 15.681 -20.541
126 H THR 20 H THR 20 1.746 13.784 -18.677
127 HA THR 20 HA THR 20 1.624 11.692 -20.685
128 HB THR 20 HB THR 20 3.498 13.224 -21.394
129 HG1 THR 20 HG1 THR 20 4.455 11.477 -22.144
130 HG21 THR 20 3HG2 THR 20 4.288 13.825 -19.144
131 HG22 THR 20 1HG2 THR 20 5.582 13.144 -20.128
132 HG23 THR 20 2HG2 THR 20 4.807 12.159 -18.888
133 H CYS 21 H CYS 21 1.919 9.688 -19.839
134 HA CYS 21 HA CYS 21 2.829 9.519 -17.043
135 HB2 CYS 21 1HB CYS 21 0.668 7.776 -18.226
136 HB3 CYS 21 2HB CYS 21 1.126 7.929 -16.533
137 H ASP 22 H ASP 22 2.962 6.914 -16.601
138 HA ASP 22 HA ASP 22 4.189 5.506 -18.805
139 HB2 ASP 22 1HB ASP 22 5.792 6.961 -16.867
140 HB3 ASP 22 2HB ASP 22 6.167 5.240 -16.858
141 H TYR 23 H TYR 23 4.659 5.249 -15.293
142 HA TYR 23 HA TYR 23 4.171 2.473 -15.242
143 HB2 TYR 23 1HB TYR 23 3.904 4.329 -12.878
144 HB3 TYR 23 2HB TYR 23 4.357 2.628 -12.871
145 HD1 TYR 23 HD2 TYR 23 6.468 2.302 -14.701
146 HD2 TYR 23 HD1 TYR 23 5.654 5.682 -12.249
147 HE1 TYR 23 HE2 TYR 23 8.844 2.932 -14.791
148 HE2 TYR 23 HE1 TYR 23 8.027 6.322 -12.332
149 HH TYR 23 HH TYR 23 10.005 5.931 -13.328
150 H MET 24 H MET 24 2.074 5.218 -15.078
151 HA MET 24 HA MET 24 -0.135 4.057 -13.779
152 HB2 MET 24 1HB MET 24 0.101 6.309 -15.768
153 HB3 MET 24 2HB MET 24 -1.442 5.832 -15.072
154 HG2 MET 24 1HG MET 24 -0.874 7.484 -13.629
155 HG3 MET 24 2HG MET 24 -0.120 6.116 -12.813
156 HE1 MET 24 3HE MET 24 3.497 6.454 -13.122
157 HE2 MET 24 1HE MET 24 2.508 6.910 -11.735
158 HE3 MET 24 2HE MET 24 2.060 5.514 -12.716
159 H TYR 25 H TYR 25 0.766 4.214 -17.202
160 HA TYR 25 HA TYR 25 -1.571 2.954 -18.182
161 HB2 TYR 25 1HB TYR 25 1.167 3.450 -19.310
162 HB3 TYR 25 2HB TYR 25 0.006 2.463 -20.190
163 HD1 TYR 25 HD1 TYR 25 -0.174 5.680 -18.283
164 HD2 TYR 25 HD2 TYR 25 -0.999 3.613 -21.909
165 HE1 TYR 25 HE1 TYR 25 -1.198 7.718 -19.204
166 HE2 TYR 25 HE2 TYR 25 -2.025 5.645 -22.841
167 HH TYR 25 HH TYR 25 -3.013 8.183 -21.070
168 H SER 26 H SER 26 0.969 1.752 -16.365
169 HA SER 26 HA SER 26 0.967 -0.913 -17.505
170 HB2 SER 26 1HB SER 26 3.003 0.227 -16.469
171 HB3 SER 26 2HB SER 26 2.248 -0.071 -14.904
172 HG SER 26 HG SER 26 2.867 -2.068 -15.032
173 H HIS 27 H HIS 27 -1.514 0.230 -16.390
174 HA HIS 27 HA HIS 27 -3.291 -0.389 -15.109
175 HB2 HIS 27 1HB HIS 27 -2.535 -2.594 -16.344
176 HB3 HIS 27 2HB HIS 27 -2.106 -3.106 -14.715
177 HD1 HIS 27 HD1 HIS 27 -3.915 -4.348 -13.598
178 HD2 HIS 27 HD2 HIS 27 -5.406 -1.578 -16.312
179 HE1 HIS 27 HE1 HIS 27 -6.415 -4.620 -13.533
180 H CYS 28 H CYS 28 -1.575 1.022 -13.648
181 HA CYS 28 HA CYS 28 -1.363 -0.442 -11.098
182 HB2 CYS 28 1HB CYS 28 0.717 0.652 -12.410
183 HB3 CYS 28 2HB CYS 28 0.198 2.053 -11.478
184 H PHE 29 H PHE 29 -2.820 2.144 -12.757
185 HA PHE 29 HA PHE 29 -3.776 3.285 -10.214
186 HB2 PHE 29 1HB PHE 29 -3.156 4.592 -12.850
187 HB3 PHE 29 2HB PHE 29 -4.270 5.342 -11.711
188 HD1 PHE 29 HD2 PHE 29 -0.959 3.631 -11.456
189 HD2 PHE 29 HD1 PHE 29 -3.322 7.046 -10.522
190 HE1 PHE 29 HE2 PHE 29 0.945 4.613 -10.247
191 HE2 PHE 29 HE1 PHE 29 -1.421 8.034 -9.312
192 HZ PHE 29 HZ PHE 29 0.716 6.817 -9.172
193 H GLY 30 H GLY 30 -4.609 1.894 -13.263
194 HA2 GLY 30 1HA GLY 30 -6.652 0.936 -13.843
195 HA3 GLY 30 2HA GLY 30 -7.378 1.691 -12.432
196 H VAL 31 H VAL 31 -5.512 3.551 -14.710
197 HA VAL 31 HA VAL 31 -7.960 4.988 -15.456
198 HB VAL 31 HB VAL 31 -6.486 6.812 -16.168
199 HG11 VAL 31 1HG1 VAL 31 -5.823 7.554 -14.003
200 HG12 VAL 31 2HG1 VAL 31 -7.287 6.591 -13.802
201 HG13 VAL 31 3HG1 VAL 31 -5.714 5.900 -13.403
202 HG21 VAL 31 3HG2 VAL 31 -4.441 6.177 -16.841
203 HG22 VAL 31 1HG2 VAL 31 -4.013 6.318 -15.136
204 HG23 VAL 31 2HG2 VAL 31 -4.439 4.746 -15.811
205 H LYS 32 H LYS 32 -5.221 3.250 -16.785
206 HA LYS 32 HA LYS 32 -5.616 3.917 -19.499
207 HB2 LYS 32 1HB LYS 32 -3.593 2.780 -18.357
208 HB3 LYS 32 2HB LYS 32 -4.490 1.284 -18.581
209 HG2 LYS 32 1HG LYS 32 -4.272 2.954 -20.982
210 HG3 LYS 32 2HG LYS 32 -2.742 2.319 -20.370
211 HD2 LYS 32 1HD LYS 32 -5.189 0.635 -20.894
212 HD3 LYS 32 2HD LYS 32 -3.867 0.849 -22.044
213 HE2 LYS 32 1HE LYS 32 -2.861 0.114 -19.445
214 HE3 LYS 32 2HE LYS 32 -4.056 -1.055 -20.005
215 HZ1 LYS 32 3HZ LYS 32 -1.495 -0.293 -21.257
216 HZ2 LYS 32 1HZ LYS 32 -2.731 -0.991 -22.177
217 HZ3 LYS 32 2HZ LYS 32 -2.070 -1.836 -20.870
218 H HIS 33 H HIS 33 -6.549 2.690 -21.191
219 HA HIS 33 HA HIS 33 -8.704 0.893 -20.292
220 HB2 HIS 33 1HB HIS 33 -8.610 3.064 -22.310
221 HB3 HIS 33 2HB HIS 33 -9.542 1.634 -22.744
222 HD1 HIS 33 HD1 HIS 33 -11.525 1.006 -21.051
223 HD2 HIS 33 HD2 HIS 33 -9.871 4.791 -20.607
224 HE1 HIS 33 HE1 HIS 33 -13.186 2.309 -19.684
225 H SER 34 H SER 34 -8.889 -1.094 -21.182
226 HA SER 34 HA SER 34 -6.723 -2.357 -22.346
227 HB2 SER 34 1HB SER 34 -8.992 -3.272 -21.311
228 HB3 SER 34 2HB SER 34 -9.455 -3.362 -23.010
229 HG SER 34 HG SER 34 -8.206 -5.189 -21.812
230 H SER 35 H SER 35 -6.141 -2.924 -24.422
231 HA SER 35 HA SER 35 -6.532 -1.095 -26.461
232 HB2 SER 35 1HB SER 35 -5.523 -2.752 -27.954
233 HB3 SER 35 2HB SER 35 -4.681 -2.732 -26.405
234 HG SER 35 HG SER 35 -5.030 -4.844 -26.795
235 H GLY 36 H GLY 36 -7.457 -1.629 -28.674
236 HA2 GLY 36 1HA GLY 36 -9.147 -2.798 -29.941
237 HA3 GLY 36 2HA GLY 36 -9.987 -3.122 -28.432
238 H GLY 37 H GLY 37 -9.357 -0.774 -30.930
239 HA2 GLY 37 1HA GLY 37 -11.754 0.680 -30.087
240 HA3 GLY 37 2HA GLY 37 -10.258 1.593 -30.221
241 H GLY 38 H GLY 38 -12.952 1.430 -31.742
242 HA2 GLY 38 1HA GLY 38 -11.827 1.075 -34.443
243 HA3 GLY 38 2HA GLY 38 -13.535 0.977 -34.043
244 H GLY 39 H GLY 39 -11.321 3.470 -32.905
245 HA2 GLY 39 1HA GLY 39 -13.062 5.481 -34.114
246 HA3 GLY 39 2HA GLY 39 -11.819 5.772 -32.906
247 H SER 40 H SER 40 -11.766 7.560 -34.774
248 HA SER 40 HA SER 40 -9.905 6.693 -36.869
249 HB2 SER 40 1HB SER 40 -12.063 8.099 -37.295
250 HB3 SER 40 2HB SER 40 -11.090 9.449 -36.711
251 HG SER 40 HG SER 40 -10.408 9.513 -38.698
252 H TYR 41 H TYR 41 -7.945 7.783 -37.236
253 HA TYR 41 HA TYR 41 -6.856 9.064 -34.831
254 HB2 TYR 41 1HB TYR 41 -5.833 6.970 -36.075
255 HB3 TYR 41 2HB TYR 41 -5.134 8.203 -37.118
256 HD1 TYR 41 HD2 TYR 41 -3.442 9.733 -36.277
257 HD2 TYR 41 HD1 TYR 41 -5.133 6.750 -33.758
258 HE1 TYR 41 HE2 TYR 41 -1.628 10.084 -34.654
259 HE2 TYR 41 HE1 TYR 41 -3.324 7.093 -32.127
260 HH TYR 41 HH TYR 41 -1.617 8.450 -31.529
261 H HIS 42 H HIS 42 -5.318 10.841 -35.128
262 HA HIS 42 HA HIS 42 -6.291 12.690 -37.170
263 HB2 HIS 42 1HB HIS 42 -4.734 13.052 -34.618
264 HB3 HIS 42 2HB HIS 42 -4.882 14.349 -35.800
265 HD1 HIS 42 HD1 HIS 42 -6.296 13.506 -32.768
266 HD2 HIS 42 HD2 HIS 42 -7.959 14.463 -36.454
267 HE1 HIS 42 HE1 HIS 42 -8.643 14.261 -32.272
268 H CYS 43 H CYS 43 -4.646 10.602 -38.091
269 HA CYS 43 HA CYS 43 -1.938 11.111 -38.293
270 HB2 CYS 43 1HB CYS 43 -3.849 9.890 -40.286
271 HB3 CYS 43 2HB CYS 43 -2.105 9.918 -40.525
272 H1 NAG 101 H1 NAG 100 5.457 19.562 -21.150
273 H2 NAG 101 HC2 NAG 100 7.565 19.572 -18.919
274 H3 NAG 101 HC3 NAG 100 6.398 21.864 -20.603
275 H4 NAG 101 HC4 NAG 100 9.178 20.551 -20.725
276 H5 NAG 101 H5 NAG 100 6.776 20.360 -22.629
277 H61 NAG 101 1H6 NAG 100 8.990 20.509 -23.801
278 H62 NAG 101 2H6 NAG 100 9.619 19.196 -22.796
279 H81 NAG 101 3H8 NAG 100 4.471 20.883 -16.081
280 H82 NAG 101 1H8 NAG 100 3.354 19.923 -17.108
281 H83 NAG 101 2H8 NAG 100 4.242 19.129 -15.764
282 HN2 NAG 101 H2 NAG 100 5.043 21.126 -18.761
283 HO3 NAG 101 H3 NAG 100 8.165 23.020 -19.595
284 HO4 NAG 101 H4 NAG 100 9.598 22.057 -22.253
285 HO6 NAG 101 HO6 NAG 100 7.558 18.007 -23.642
286 H1 NAG 102 H1 NAG 200 -1.466 7.002 -39.571
287 H2 NAG 102 HC2 NAG 200 -0.166 6.014 -36.972
288 H3 NAG 102 HC3 NAG 200 -0.075 4.885 -39.830
289 H4 NAG 102 HC4 NAG 200 -1.553 3.832 -37.346
290 H5 NAG 102 H5 NAG 200 -2.603 5.220 -39.877
291 H61 NAG 102 1H6 NAG 200 -4.049 3.327 -39.083
292 H62 NAG 102 2H6 NAG 200 -4.059 4.010 -37.450
293 H81 NAG 102 3H8 NAG 200 3.552 7.866 -38.425
294 H82 NAG 102 1H8 NAG 200 2.508 9.245 -38.907
295 H83 NAG 102 2H8 NAG 200 3.158 9.153 -37.235
296 HN2 NAG 102 H2 NAG 200 1.400 6.730 -39.387
297 HO3 NAG 102 H3 NAG 200 0.898 3.083 -38.698
298 HO4 NAG 102 H4 NAG 200 -2.139 2.177 -38.647
299 HO6 NAG 102 HO6 NAG 200 -4.841 6.074 -38.677
Start of MODEL 10
1 H1 LYS 1 H LYS 1 1.491 -2.066 -3.374
2 HA LYS 1 HA LYS 1 2.380 -1.850 -5.512
3 HB2 LYS 1 1HB LYS 1 2.005 0.829 -4.250
4 HB3 LYS 1 2HB LYS 1 2.726 0.757 -5.853
5 HG2 LYS 1 1HG LYS 1 0.801 0.082 -6.844
6 HG3 LYS 1 2HG LYS 1 0.239 -0.789 -5.415
7 HD2 LYS 1 1HD LYS 1 -0.011 1.552 -4.361
8 HD3 LYS 1 2HD LYS 1 0.085 2.145 -6.020
9 HE2 LYS 1 1HE LYS 1 -1.814 -0.061 -5.365
10 HE3 LYS 1 2HE LYS 1 -2.232 1.593 -4.920
11 HZ1 LYS 1 3HZ LYS 1 -1.544 2.027 -7.400
12 HZ2 LYS 1 1HZ LYS 1 -3.103 1.500 -7.004
13 HZ3 LYS 1 2HZ LYS 1 -1.957 0.396 -7.576
14 HA PRO 2 HA PRO 2 6.752 -1.678 -5.828
15 HB2 PRO 2 1HB PRO 2 7.120 -0.635 -8.308
16 HB3 PRO 2 2HB PRO 2 6.522 -2.276 -8.035
17 HG2 PRO 2 1HG PRO 2 4.992 0.213 -8.686
18 HG3 PRO 2 2HG PRO 2 4.791 -1.425 -9.334
19 HD2 PRO 2 1HD PRO 2 3.184 -0.416 -7.402
20 HD3 PRO 2 2HD PRO 2 3.595 -2.141 -7.498
21 H ALA 3 H ALA 3 8.490 -0.008 -6.958
22 HA ALA 3 HA ALA 3 8.244 2.389 -5.328
23 HB1 ALA 3 1HB ALA 3 10.586 1.482 -6.994
24 HB2 ALA 3 2HB ALA 3 10.588 2.718 -5.736
25 HB3 ALA 3 3HB ALA 3 10.321 1.027 -5.311
26 H TRP 4 H TRP 4 6.991 1.720 -8.142
27 HA TRP 4 HA TRP 4 7.861 4.170 -9.509
28 HB2 TRP 4 1HB TRP 4 5.996 2.355 -10.900
29 HB3 TRP 4 2HB TRP 4 7.450 3.153 -11.493
30 HD1 TRP 4 HD1 TRP 4 9.706 1.919 -9.824
31 HE1 TRP 4 HE1 TRP 4 10.268 -0.590 -9.944
32 HE3 TRP 4 HE3 TRP 4 5.245 0.173 -11.608
33 HZ2 TRP 4 HZ2 TRP 4 8.989 -2.992 -10.697
34 HZ3 TRP 4 HZ3 TRP 4 4.996 -2.243 -12.002
35 HH2 TRP 4 HH2 TRP 4 6.831 -3.791 -11.556
36 H CYS 5 H CYS 5 4.952 2.416 -8.487
37 HA CYS 5 HA CYS 5 3.293 4.739 -9.075
38 HB2 CYS 5 1HB CYS 5 2.367 2.152 -7.837
39 HB3 CYS 5 2HB CYS 5 1.417 3.331 -8.736
40 H TRP 6 H TRP 6 1.373 4.624 -7.150
41 HA TRP 6 HA TRP 6 2.572 4.687 -4.524
42 HB2 TRP 6 1HB TRP 6 2.770 7.007 -5.977
43 HB3 TRP 6 2HB TRP 6 1.270 7.259 -5.088
44 HD1 TRP 6 HD1 TRP 6 4.992 7.334 -4.680
45 HE1 TRP 6 HE1 TRP 6 5.591 7.913 -2.245
46 HE3 TRP 6 HE3 TRP 6 0.363 6.839 -2.567
47 HZ2 TRP 6 HZ2 TRP 6 4.275 8.130 0.243
48 HZ3 TRP 6 HZ3 TRP 6 0.119 7.249 -0.153
49 HH2 TRP 6 HH2 TRP 6 2.036 7.881 1.221
50 H TYR 7 H TYR 7 -0.227 5.647 -6.489
51 HA TYR 7 HA TYR 7 -2.024 4.034 -5.016
52 HB2 TYR 7 1HB TYR 7 -1.463 6.360 -3.680
53 HB3 TYR 7 2HB TYR 7 -2.893 6.811 -4.601
54 HD1 TYR 7 HD2 TYR 7 -1.749 3.839 -2.631
55 HD2 TYR 7 HD1 TYR 7 -4.874 6.606 -3.454
56 HE1 TYR 7 HE2 TYR 7 -3.169 2.724 -0.960
57 HE2 TYR 7 HE1 TYR 7 -6.302 5.500 -1.785
58 HH TYR 7 HH TYR 7 -6.539 3.628 -0.515
59 H THR 8 H THR 8 -4.409 5.324 -5.442
60 HA THR 8 HA THR 8 -4.510 5.360 -8.369
61 HB THR 8 HB THR 8 -6.926 5.309 -6.580
62 HG1 THR 8 HG1 THR 8 -6.206 3.445 -5.872
63 HG21 THR 8 3HG2 THR 8 -6.469 5.229 -9.378
64 HG22 THR 8 1HG2 THR 8 -8.003 5.109 -8.518
65 HG23 THR 8 2HG2 THR 8 -7.084 3.650 -8.891
66 H LEU 9 H LEU 9 -3.659 7.652 -6.651
67 HA LEU 9 HA LEU 9 -5.722 9.605 -6.668
68 HB2 LEU 9 1HB LEU 9 -2.821 9.539 -6.143
69 HB3 LEU 9 2HB LEU 9 -3.471 11.091 -6.666
70 HG LEU 9 HG LEU 9 -5.173 10.785 -4.759
71 HD11 LEU 9 1HD1 LEU 9 -4.593 8.392 -4.389
72 HD12 LEU 9 2HD1 LEU 9 -4.513 9.387 -2.936
73 HD13 LEU 9 3HD1 LEU 9 -3.029 8.918 -3.764
74 HD21 LEU 9 3HD2 LEU 9 -3.366 12.444 -4.774
75 HD22 LEU 9 1HD2 LEU 9 -2.260 11.238 -4.115
76 HD23 LEU 9 2HD2 LEU 9 -3.638 11.785 -3.159
77 H ALA 10 H ALA 10 -3.430 8.495 -9.026
78 HA ALA 10 HA ALA 10 -3.170 8.955 -11.241
79 HB1 ALA 10 1HB ALA 10 -5.010 9.608 -12.472
80 HB2 ALA 10 2HB ALA 10 -5.760 8.971 -11.008
81 HB3 ALA 10 3HB ALA 10 -5.586 10.712 -11.224
82 H MET 11 H MET 11 -1.414 10.296 -10.010
83 HA MET 11 HA MET 11 -1.502 13.042 -9.751
84 HB2 MET 11 1HB MET 11 0.861 11.404 -10.688
85 HB3 MET 11 2HB MET 11 0.933 13.012 -9.980
86 HG2 MET 11 1HG MET 11 -0.301 10.744 -8.475
87 HG3 MET 11 2HG MET 11 1.448 10.956 -8.513
88 HE1 MET 11 3HE MET 11 -0.549 11.617 -5.369
89 HE2 MET 11 1HE MET 11 -1.679 12.768 -6.084
90 HE3 MET 11 2HE MET 11 -1.424 11.196 -6.842
91 H CYS 12 H CYS 12 0.105 11.447 -12.505
92 HA CYS 12 HA CYS 12 0.207 13.690 -14.142
93 HB2 CYS 12 1HB CYS 12 0.731 12.202 -15.943
94 HB3 CYS 12 2HB CYS 12 1.441 11.524 -14.482
95 H GLY 13 H GLY 13 -1.007 14.272 -16.025
96 HA2 GLY 13 1HA GLY 13 -2.927 14.196 -17.410
97 HA3 GLY 13 2HA GLY 13 -3.707 13.153 -16.229
98 H ALA 14 H ALA 14 -2.759 15.068 -14.071
99 HA ALA 14 HA ALA 14 -4.937 17.013 -14.435
100 HB1 ALA 14 1HB ALA 14 -3.684 15.985 -11.891
101 HB2 ALA 14 2HB ALA 14 -4.990 17.166 -11.986
102 HB3 ALA 14 3HB ALA 14 -5.252 15.515 -12.548
103 H GLY 15 H GLY 15 -2.090 17.220 -15.370
104 HA2 GLY 15 1HA GLY 15 -0.935 19.254 -15.738
105 HA3 GLY 15 2HA GLY 15 -1.607 19.878 -14.239
106 H TYR 16 H TYR 16 -0.443 16.729 -13.897
107 HA TYR 16 HA TYR 16 1.794 17.696 -12.318
108 HB2 TYR 16 1HB TYR 16 0.228 15.196 -12.496
109 HB3 TYR 16 2HB TYR 16 1.930 14.997 -12.092
110 HD1 TYR 16 HD2 TYR 16 -0.848 17.314 -11.122
111 HD2 TYR 16 HD1 TYR 16 2.373 14.846 -9.842
112 HE1 TYR 16 HE2 TYR 16 -1.341 17.893 -8.783
113 HE2 TYR 16 HE1 TYR 16 1.888 15.417 -7.500
114 HH TYR 16 HH TYR 16 -0.941 16.785 -6.490
115 H ASP 17 H ASP 17 1.203 16.157 -15.363
116 HA ASP 17 HA ASP 17 4.110 16.006 -15.813
117 HB2 ASP 17 1HB ASP 17 1.998 14.082 -16.809
118 HB3 ASP 17 2HB ASP 17 3.687 14.063 -17.308
119 H SER 18 H SER 18 4.279 15.547 -18.426
120 HA SER 18 HA SER 18 3.311 18.025 -19.565
121 HB2 SER 18 1HB SER 18 5.211 15.888 -20.512
122 HB3 SER 18 2HB SER 18 4.662 17.173 -21.588
123 H GLY 19 H GLY 19 1.055 17.242 -19.353
124 HA2 GLY 19 1HA GLY 19 -0.078 15.179 -18.948
125 HA3 GLY 19 2HA GLY 19 -0.528 15.634 -20.585
126 H THR 20 H THR 20 1.794 13.734 -18.710
127 HA THR 20 HA THR 20 1.685 11.643 -20.719
128 HB THR 20 HB THR 20 3.559 13.182 -21.422
129 HG1 THR 20 HG1 THR 20 5.014 11.383 -21.711
130 HG21 THR 20 3HG2 THR 20 5.640 13.100 -20.155
131 HG22 THR 20 1HG2 THR 20 4.868 12.105 -18.921
132 HG23 THR 20 2HG2 THR 20 4.344 13.771 -19.165
133 H CYS 21 H CYS 21 1.990 9.639 -19.875
134 HA CYS 21 HA CYS 21 2.912 9.468 -17.084
135 HB2 CYS 21 1HB CYS 21 0.711 7.753 -18.233
136 HB3 CYS 21 2HB CYS 21 1.194 7.904 -16.547
137 H ASP 22 H ASP 22 3.010 6.860 -16.638
138 HA ASP 22 HA ASP 22 4.191 5.432 -18.855
139 HB2 ASP 22 1HB ASP 22 5.837 6.868 -16.943
140 HB3 ASP 22 2HB ASP 22 6.182 5.140 -16.919
141 H TYR 23 H TYR 23 4.688 5.172 -15.346
142 HA TYR 23 HA TYR 23 4.162 2.404 -15.287
143 HB2 TYR 23 1HB TYR 23 3.924 4.253 -12.917
144 HB3 TYR 23 2HB TYR 23 4.384 2.554 -12.925
145 HD1 TYR 23 HD2 TYR 23 6.496 2.201 -14.703
146 HD2 TYR 23 HD1 TYR 23 5.657 5.659 -12.370
147 HE1 TYR 23 HE2 TYR 23 8.868 2.840 -14.808
148 HE2 TYR 23 HE1 TYR 23 8.027 6.309 -12.470
149 HH TYR 23 HH TYR 23 10.456 4.274 -13.327
150 H MET 24 H MET 24 2.103 5.176 -15.113
151 HA MET 24 HA MET 24 -0.112 4.044 -13.799
152 HB2 MET 24 1HB MET 24 0.141 6.294 -15.787
153 HB3 MET 24 2HB MET 24 -1.404 5.837 -15.082
154 HG2 MET 24 1HG MET 24 -0.801 7.485 -13.646
155 HG3 MET 24 2HG MET 24 -0.072 6.103 -12.830
156 HE1 MET 24 3HE MET 24 2.565 6.856 -11.752
157 HE2 MET 24 1HE MET 24 2.097 5.464 -12.729
158 HE3 MET 24 2HE MET 24 3.549 6.379 -13.136
159 H TYR 25 H TYR 25 0.763 4.198 -17.229
160 HA TYR 25 HA TYR 25 -1.597 2.965 -18.191
161 HB2 TYR 25 1HB TYR 25 1.138 3.431 -19.342
162 HB3 TYR 25 2HB TYR 25 -0.045 2.461 -20.214
163 HD1 TYR 25 HD1 TYR 25 -0.140 5.683 -18.308
164 HD2 TYR 25 HD2 TYR 25 -1.072 3.621 -21.912
165 HE1 TYR 25 HE1 TYR 25 -1.147 7.735 -19.215
166 HE2 TYR 25 HE2 TYR 25 -2.080 5.669 -22.829
167 HH TYR 25 HH TYR 25 -1.936 8.103 -22.490
168 H SER 26 H SER 26 0.962 1.732 -16.412
169 HA SER 26 HA SER 26 0.902 -0.934 -17.551
170 HB2 SER 26 1HB SER 26 2.959 0.228 -16.519
171 HB3 SER 26 2HB SER 26 2.236 -0.169 -14.960
172 HG SER 26 HG SER 26 2.473 -2.298 -15.377
173 H HIS 27 H HIS 27 -1.556 0.196 -16.432
174 HA HIS 27 HA HIS 27 -3.316 -0.398 -15.115
175 HB2 HIS 27 1HB HIS 27 -1.844 -2.970 -15.527
176 HB3 HIS 27 2HB HIS 27 -3.207 -2.936 -14.414
177 HD1 HIS 27 HD1 HIS 27 -5.475 -1.824 -15.597
178 HD2 HIS 27 HD2 HIS 27 -2.585 -3.498 -18.068
179 HE1 HIS 27 HE1 HIS 27 -6.638 -2.278 -17.780
180 H CYS 28 H CYS 28 -1.625 1.049 -13.686
181 HA CYS 28 HA CYS 28 -1.356 -0.380 -11.122
182 HB2 CYS 28 1HB CYS 28 0.691 0.729 -12.472
183 HB3 CYS 28 2HB CYS 28 0.160 2.134 -11.553
184 H PHE 29 H PHE 29 -2.846 2.187 -12.798
185 HA PHE 29 HA PHE 29 -3.815 3.322 -10.257
186 HB2 PHE 29 1HB PHE 29 -3.189 4.630 -12.889
187 HB3 PHE 29 2HB PHE 29 -4.327 5.370 -11.768
188 HD1 PHE 29 HD2 PHE 29 -1.003 3.696 -11.452
189 HD2 PHE 29 HD1 PHE 29 -3.411 7.096 -10.582
190 HE1 PHE 29 HE2 PHE 29 0.873 4.705 -10.222
191 HE2 PHE 29 HE1 PHE 29 -1.539 8.111 -9.351
192 HZ PHE 29 HZ PHE 29 0.607 6.916 -9.170
193 H GLY 30 H GLY 30 -4.634 1.969 -13.338
194 HA2 GLY 30 1HA GLY 30 -6.667 0.983 -13.918
195 HA3 GLY 30 2HA GLY 30 -7.401 1.722 -12.502
196 H VAL 31 H VAL 31 -5.555 3.526 -14.868
197 HA VAL 31 HA VAL 31 -7.994 5.018 -15.533
198 HB VAL 31 HB VAL 31 -6.501 6.789 -16.343
199 HG11 VAL 31 1HG1 VAL 31 -5.207 6.545 -13.805
200 HG12 VAL 31 2HG1 VAL 31 -6.545 7.596 -14.276
201 HG13 VAL 31 3HG1 VAL 31 -6.868 5.970 -13.673
202 HG21 VAL 31 3HG2 VAL 31 -4.005 6.225 -15.370
203 HG22 VAL 31 1HG2 VAL 31 -4.507 4.674 -16.044
204 HG23 VAL 31 2HG2 VAL 31 -4.489 6.114 -17.063
205 H LYS 32 H LYS 32 -5.373 3.167 -16.937
206 HA LYS 32 HA LYS 32 -5.606 3.780 -19.615
207 HB2 LYS 32 1HB LYS 32 -3.849 2.335 -18.922
208 HB3 LYS 32 2HB LYS 32 -4.977 1.172 -18.240
209 HG2 LYS 32 1HG LYS 32 -5.564 0.328 -20.308
210 HG3 LYS 32 2HG LYS 32 -5.041 1.781 -21.163
211 HD2 LYS 32 1HD LYS 32 -3.058 0.092 -19.685
212 HD3 LYS 32 2HD LYS 32 -3.593 -0.367 -21.304
213 HE2 LYS 32 1HE LYS 32 -3.029 2.165 -21.814
214 HE3 LYS 32 2HE LYS 32 -1.969 1.964 -20.419
215 HZ1 LYS 32 3HZ LYS 32 -1.758 -0.204 -22.273
216 HZ2 LYS 32 1HZ LYS 32 -0.543 0.771 -21.612
217 HZ3 LYS 32 2HZ LYS 32 -1.381 1.281 -22.990
218 H HIS 33 H HIS 33 -6.896 3.137 -21.298
219 HA HIS 33 HA HIS 33 -9.399 1.789 -20.538
220 HB2 HIS 33 1HB HIS 33 -10.275 2.868 -22.675
221 HB3 HIS 33 2HB HIS 33 -9.910 3.958 -21.341
222 HD1 HIS 33 HD1 HIS 33 -7.851 5.520 -21.616
223 HD2 HIS 33 HD2 HIS 33 -8.693 3.183 -24.947
224 HE1 HIS 33 HE1 HIS 33 -6.502 6.512 -23.492
225 H SER 34 H SER 34 -6.644 1.669 -22.633
226 HA SER 34 HA SER 34 -7.522 0.031 -24.684
227 HB2 SER 34 1HB SER 34 -5.219 1.117 -24.364
228 HB3 SER 34 2HB SER 34 -4.814 -0.299 -23.395
229 HG SER 34 HG SER 34 -4.264 -0.433 -25.678
230 H SER 35 H SER 35 -7.062 -2.290 -25.022
231 HA SER 35 HA SER 35 -8.077 -3.815 -22.778
232 HB2 SER 35 1HB SER 35 -8.710 -4.022 -25.322
233 HB3 SER 35 2HB SER 35 -7.291 -5.066 -25.385
234 HG SER 35 HG SER 35 -9.757 -5.572 -24.383
235 H GLY 36 H GLY 36 -7.099 -5.941 -22.235
236 HA2 GLY 36 1HA GLY 36 -4.260 -6.235 -22.762
237 HA3 GLY 36 2HA GLY 36 -4.669 -5.833 -21.101
238 H GLY 37 H GLY 37 -4.887 -7.503 -19.774
239 HA2 GLY 37 1HA GLY 37 -6.304 -9.592 -19.499
240 HA3 GLY 37 2HA GLY 37 -5.498 -10.134 -20.964
241 H GLY 38 H GLY 38 -5.444 -11.572 -18.558
242 HA2 GLY 38 1HA GLY 38 -2.997 -12.552 -18.277
243 HA3 GLY 38 2HA GLY 38 -2.831 -11.061 -17.362
244 H GLY 39 H GLY 39 -2.355 -12.425 -15.527
245 HA2 GLY 39 1HA GLY 39 -4.831 -13.435 -14.276
246 HA3 GLY 39 2HA GLY 39 -3.333 -14.350 -14.191
247 H SER 40 H SER 40 -3.776 -14.184 -11.849
248 HA SER 40 HA SER 40 -2.729 -11.646 -10.776
249 HB2 SER 40 1HB SER 40 -4.156 -11.814 -8.882
250 HB3 SER 40 2HB SER 40 -5.182 -12.141 -10.278
251 HG SER 40 HG SER 40 -5.292 -13.621 -8.372
252 H TYR 41 H TYR 41 -1.554 -11.845 -8.737
253 HA TYR 41 HA TYR 41 -0.264 -14.479 -8.443
254 HB2 TYR 41 1HB TYR 41 1.047 -12.417 -9.467
255 HB3 TYR 41 2HB TYR 41 1.229 -11.982 -7.771
256 HD1 TYR 41 HD1 TYR 41 2.129 -14.401 -10.370
257 HD2 TYR 41 HD2 TYR 41 2.590 -13.328 -6.279
258 HE1 TYR 41 HE1 TYR 41 4.023 -15.958 -10.181
259 HE2 TYR 41 HE2 TYR 41 4.486 -14.882 -6.078
260 HH TYR 41 HH TYR 41 6.111 -16.137 -8.638
261 H HIS 42 H HIS 42 0.684 -14.874 -6.305
262 HA HIS 42 HA HIS 42 -1.074 -13.837 -4.216
263 HB2 HIS 42 1HB HIS 42 0.732 -16.234 -4.420
264 HB3 HIS 42 2HB HIS 42 0.105 -15.699 -2.863
265 HD1 HIS 42 HD1 HIS 42 -0.589 -18.208 -5.089
266 HD2 HIS 42 HD2 HIS 42 -2.982 -15.237 -3.444
267 HE1 HIS 42 HE1 HIS 42 -2.948 -19.057 -5.287
268 H CYS 43 H CYS 43 0.865 -12.042 -5.170
269 HA CYS 43 HA CYS 43 2.673 -11.859 -2.849
270 HB2 CYS 43 1HB CYS 43 3.140 -11.365 -5.749
271 HB3 CYS 43 2HB CYS 43 3.958 -10.311 -4.600
272 H1 NAG 101 H1 NAG 100 5.661 19.391 -21.138
273 H2 NAG 101 HC2 NAG 100 7.564 19.528 -18.734
274 H3 NAG 101 HC3 NAG 100 6.521 21.728 -20.610
275 H4 NAG 101 HC4 NAG 100 9.317 20.459 -20.432
276 H5 NAG 101 H5 NAG 100 7.094 20.149 -22.529
277 H61 NAG 101 1H6 NAG 100 9.401 20.287 -23.509
278 H62 NAG 101 2H6 NAG 100 9.957 19.027 -22.397
279 H81 NAG 101 3H8 NAG 100 4.160 20.944 -16.334
280 H82 NAG 101 1H8 NAG 100 3.194 19.766 -17.284
281 H83 NAG 101 2H8 NAG 100 4.049 19.233 -15.797
282 HN2 NAG 101 H2 NAG 100 5.018 21.045 -18.863
283 HO3 NAG 101 H3 NAG 100 8.176 22.954 -19.501
284 HO4 NAG 101 H4 NAG 100 9.850 21.906 -21.980
285 HO6 NAG 101 HO6 NAG 100 7.994 17.770 -23.369
286 H1 NAG 102 H1 NAG 200 6.249 -11.491 -3.586
287 H2 NAG 102 HC2 NAG 200 8.710 -13.069 -4.520
288 H3 NAG 102 HC3 NAG 200 8.473 -10.341 -3.121
289 H4 NAG 102 HC4 NAG 200 9.210 -11.001 -6.035
290 H5 NAG 102 H5 NAG 200 6.655 -9.800 -4.826
291 H61 NAG 102 1H6 NAG 200 7.356 -8.729 -6.986
292 H62 NAG 102 2H6 NAG 200 7.492 -10.324 -7.741
293 H81 NAG 102 3H8 NAG 200 7.693 -15.635 -0.770
294 H82 NAG 102 1H8 NAG 200 9.395 -15.079 -0.633
295 H83 NAG 102 2H8 NAG 200 8.053 -13.988 -0.149
296 HN2 NAG 102 H2 NAG 200 8.286 -12.267 -1.696
297 HO3 NAG 102 H3 NAG 200 10.741 -10.261 -3.688
298 HO4 NAG 102 H4 NAG 200 9.498 -8.844 -6.236
299 HO6 NAG 102 HO6 NAG 200 5.126 -10.560 -6.891
Start of MODEL 11
1 H1 LYS 1 H LYS 1 1.217 -1.710 -3.378
2 HA LYS 1 HA LYS 1 2.258 -1.935 -5.644
3 HB2 LYS 1 1HB LYS 1 2.057 0.736 -4.286
4 HB3 LYS 1 2HB LYS 1 2.599 0.624 -5.955
5 HG2 LYS 1 1HG LYS 1 0.431 -0.770 -6.287
6 HG3 LYS 1 2HG LYS 1 -0.078 0.011 -4.788
7 HD2 LYS 1 1HD LYS 1 0.511 2.211 -5.881
8 HD3 LYS 1 2HD LYS 1 0.685 1.317 -7.393
9 HE2 LYS 1 1HE LYS 1 -1.536 2.347 -7.173
10 HE3 LYS 1 2HE LYS 1 -1.623 0.588 -7.260
11 HZ1 LYS 1 3HZ LYS 1 -2.959 1.924 -5.467
12 HZ2 LYS 1 1HZ LYS 1 -1.499 1.840 -4.615
13 HZ3 LYS 1 2HZ LYS 1 -2.279 0.419 -5.100
14 HA PRO 2 HA PRO 2 6.639 -1.885 -5.881
15 HB2 PRO 2 1HB PRO 2 7.060 -0.822 -8.344
16 HB3 PRO 2 2HB PRO 2 6.423 -2.452 -8.097
17 HG2 PRO 2 1HG PRO 2 4.956 0.078 -8.737
18 HG3 PRO 2 2HG PRO 2 4.727 -1.548 -9.407
19 HD2 PRO 2 1HD PRO 2 3.120 -0.525 -7.483
20 HD3 PRO 2 2HD PRO 2 3.493 -2.258 -7.594
21 H ALA 3 H ALA 3 8.439 -0.254 -6.943
22 HA ALA 3 HA ALA 3 8.211 2.140 -5.305
23 HB1 ALA 3 1HB ALA 3 10.624 1.489 -6.939
24 HB2 ALA 3 2HB ALA 3 10.511 2.285 -5.369
25 HB3 ALA 3 3HB ALA 3 10.261 0.544 -5.495
26 H TRP 4 H TRP 4 7.017 1.519 -8.155
27 HA TRP 4 HA TRP 4 8.006 3.929 -9.507
28 HB2 TRP 4 1HB TRP 4 6.052 2.188 -10.886
29 HB3 TRP 4 2HB TRP 4 7.522 2.943 -11.497
30 HD1 TRP 4 HD1 TRP 4 9.744 1.641 -9.803
31 HE1 TRP 4 HE1 TRP 4 10.239 -0.881 -9.947
32 HE3 TRP 4 HE3 TRP 4 5.256 0.036 -11.652
33 HZ2 TRP 4 HZ2 TRP 4 8.904 -3.238 -10.740
34 HZ3 TRP 4 HZ3 TRP 4 4.947 -2.368 -12.077
35 HH2 TRP 4 HH2 TRP 4 6.735 -3.969 -11.630
36 H CYS 5 H CYS 5 4.989 2.332 -8.531
37 HA CYS 5 HA CYS 5 3.482 4.764 -9.099
38 HB2 CYS 5 1HB CYS 5 2.383 2.198 -7.958
39 HB3 CYS 5 2HB CYS 5 1.516 3.462 -8.826
40 H TRP 6 H TRP 6 1.514 4.699 -7.212
41 HA TRP 6 HA TRP 6 2.716 4.678 -4.573
42 HB2 TRP 6 1HB TRP 6 2.936 7.010 -5.956
43 HB3 TRP 6 2HB TRP 6 1.385 7.247 -5.156
44 HD1 TRP 6 HD1 TRP 6 5.053 7.454 -4.548
45 HE1 TRP 6 HE1 TRP 6 5.512 7.986 -2.072
46 HE3 TRP 6 HE3 TRP 6 0.365 6.664 -2.666
47 HZ2 TRP 6 HZ2 TRP 6 4.076 8.061 0.357
48 HZ3 TRP 6 HZ3 TRP 6 -0.007 6.987 -0.256
49 HH2 TRP 6 HH2 TRP 6 1.811 7.670 1.223
50 H TYR 7 H TYR 7 -0.094 5.528 -6.555
51 HA TYR 7 HA TYR 7 -1.879 3.889 -5.169
52 HB2 TYR 7 1HB TYR 7 -1.294 6.087 -3.630
53 HB3 TYR 7 2HB TYR 7 -2.753 6.602 -4.470
54 HD1 TYR 7 HD2 TYR 7 -1.541 3.452 -2.847
55 HD2 TYR 7 HD1 TYR 7 -4.686 6.287 -3.267
56 HE1 TYR 7 HE2 TYR 7 -2.904 2.167 -1.253
57 HE2 TYR 7 HE1 TYR 7 -6.057 5.010 -1.673
58 HH TYR 7 HH TYR 7 -5.279 1.861 -0.690
59 H THR 8 H THR 8 -4.269 5.216 -5.430
60 HA THR 8 HA THR 8 -4.425 5.509 -8.338
61 HB THR 8 HB THR 8 -6.803 5.371 -6.504
62 HG1 THR 8 HG1 THR 8 -5.036 3.317 -7.265
63 HG21 THR 8 3HG2 THR 8 -6.322 5.328 -9.359
64 HG22 THR 8 1HG2 THR 8 -7.836 5.526 -8.479
65 HG23 THR 8 2HG2 THR 8 -7.227 3.910 -8.833
66 H LEU 9 H LEU 9 -3.492 7.637 -6.448
67 HA LEU 9 HA LEU 9 -5.440 9.632 -6.151
68 HB2 LEU 9 1HB LEU 9 -2.493 9.495 -6.090
69 HB3 LEU 9 2HB LEU 9 -3.185 11.085 -6.404
70 HG LEU 9 HG LEU 9 -4.547 10.744 -4.283
71 HD11 LEU 9 1HD1 LEU 9 -2.450 8.706 -3.615
72 HD12 LEU 9 2HD1 LEU 9 -4.020 8.245 -4.272
73 HD13 LEU 9 3HD1 LEU 9 -3.925 9.105 -2.736
74 HD21 LEU 9 3HD2 LEU 9 -2.527 12.197 -4.519
75 HD22 LEU 9 1HD2 LEU 9 -1.557 10.847 -3.930
76 HD23 LEU 9 2HD2 LEU 9 -2.788 11.566 -2.892
77 H ALA 10 H ALA 10 -3.542 8.642 -8.887
78 HA ALA 10 HA ALA 10 -3.597 9.237 -11.085
79 HB1 ALA 10 1HB ALA 10 -6.007 10.936 -10.536
80 HB2 ALA 10 2HB ALA 10 -5.589 10.043 -11.999
81 HB3 ALA 10 3HB ALA 10 -6.105 9.175 -10.553
82 H MET 11 H MET 11 -1.674 10.511 -10.059
83 HA MET 11 HA MET 11 -1.879 13.325 -9.822
84 HB2 MET 11 1HB MET 11 0.524 11.576 -10.370
85 HB3 MET 11 2HB MET 11 0.604 13.284 -9.963
86 HG2 MET 11 1HG MET 11 -0.075 12.929 -7.778
87 HG3 MET 11 2HG MET 11 -0.785 11.360 -8.150
88 HE1 MET 11 3HE MET 11 1.759 9.027 -6.911
89 HE2 MET 11 1HE MET 11 0.276 9.829 -6.394
90 HE3 MET 11 2HE MET 11 0.392 9.152 -8.019
91 H CYS 12 H CYS 12 0.073 11.635 -12.267
92 HA CYS 12 HA CYS 12 0.225 13.715 -14.074
93 HB2 CYS 12 1HB CYS 12 0.972 12.128 -15.683
94 HB3 CYS 12 2HB CYS 12 1.511 11.533 -14.116
95 H GLY 13 H GLY 13 -0.818 14.073 -16.126
96 HA2 GLY 13 1HA GLY 13 -2.611 13.847 -17.648
97 HA3 GLY 13 2HA GLY 13 -3.470 12.882 -16.456
98 H ALA 14 H ALA 14 -2.783 14.969 -14.379
99 HA ALA 14 HA ALA 14 -4.911 16.863 -15.128
100 HB1 ALA 14 1HB ALA 14 -4.030 15.945 -12.393
101 HB2 ALA 14 2HB ALA 14 -5.280 17.150 -12.708
102 HB3 ALA 14 3HB ALA 14 -5.510 15.482 -13.234
103 H GLY 15 H GLY 15 -2.076 17.141 -15.813
104 HA2 GLY 15 1HA GLY 15 -0.989 19.251 -16.084
105 HA3 GLY 15 2HA GLY 15 -1.646 19.751 -14.532
106 H TYR 16 H TYR 16 -0.816 16.954 -13.543
107 HA TYR 16 HA TYR 16 1.522 17.715 -12.232
108 HB2 TYR 16 1HB TYR 16 -0.018 15.228 -12.563
109 HB3 TYR 16 2HB TYR 16 1.688 14.988 -12.201
110 HD1 TYR 16 HD2 TYR 16 -1.479 16.391 -10.958
111 HD2 TYR 16 HD1 TYR 16 2.589 15.542 -10.044
112 HE1 TYR 16 HE2 TYR 16 -1.933 16.809 -8.578
113 HE2 TYR 16 HE1 TYR 16 2.146 15.956 -7.661
114 HH TYR 16 HH TYR 16 -0.054 15.825 -6.148
115 H ASP 17 H ASP 17 1.052 16.042 -15.281
116 HA ASP 17 HA ASP 17 3.966 16.141 -15.713
117 HB2 ASP 17 1HB ASP 17 1.994 14.081 -16.725
118 HB3 ASP 17 2HB ASP 17 3.686 14.169 -17.205
119 H SER 18 H SER 18 4.200 15.682 -18.322
120 HA SER 18 HA SER 18 3.105 18.092 -19.486
121 HB2 SER 18 1HB SER 18 5.177 16.087 -20.310
122 HB3 SER 18 2HB SER 18 4.499 17.184 -21.513
123 H GLY 19 H GLY 19 0.890 17.203 -19.292
124 HA2 GLY 19 1HA GLY 19 -0.141 15.087 -18.883
125 HA3 GLY 19 2HA GLY 19 -0.602 15.514 -20.524
126 H THR 20 H THR 20 1.812 13.745 -18.634
127 HA THR 20 HA THR 20 1.814 11.644 -20.637
128 HB THR 20 HB THR 20 3.616 13.262 -21.331
129 HG1 THR 20 HG1 THR 20 4.561 10.697 -20.521
130 HG21 THR 20 3HG2 THR 20 4.341 13.913 -19.071
131 HG22 THR 20 1HG2 THR 20 5.683 13.308 -20.041
132 HG23 THR 20 2HG2 THR 20 4.953 12.280 -18.806
133 H CYS 21 H CYS 21 2.188 9.659 -19.783
134 HA CYS 21 HA CYS 21 3.184 9.512 -17.020
135 HB2 CYS 21 1HB CYS 21 0.891 7.829 -18.029
136 HB3 CYS 21 2HB CYS 21 1.462 7.995 -16.372
137 H ASP 22 H ASP 22 3.225 6.894 -16.556
138 HA ASP 22 HA ASP 22 4.310 5.452 -18.821
139 HB2 ASP 22 1HB ASP 22 6.018 6.784 -16.881
140 HB3 ASP 22 2HB ASP 22 6.309 5.047 -16.924
141 H TYR 23 H TYR 23 4.840 5.101 -15.327
142 HA TYR 23 HA TYR 23 4.202 2.355 -15.318
143 HB2 TYR 23 1HB TYR 23 4.084 4.159 -12.905
144 HB3 TYR 23 2HB TYR 23 4.472 2.443 -12.959
145 HD1 TYR 23 HD2 TYR 23 6.545 2.007 -14.730
146 HD2 TYR 23 HD1 TYR 23 5.876 5.510 -12.410
147 HE1 TYR 23 HE2 TYR 23 8.940 2.548 -14.868
148 HE2 TYR 23 HE1 TYR 23 8.269 6.062 -12.542
149 HH TYR 23 HH TYR 23 10.224 5.555 -13.519
150 H MET 24 H MET 24 2.264 5.206 -15.049
151 HA MET 24 HA MET 24 0.028 4.141 -13.716
152 HB2 MET 24 1HB MET 24 0.346 6.420 -15.660
153 HB3 MET 24 2HB MET 24 -1.209 6.011 -14.949
154 HG2 MET 24 1HG MET 24 -0.513 7.612 -13.494
155 HG3 MET 24 2HG MET 24 0.135 6.177 -12.704
156 HE1 MET 24 3HE MET 24 2.476 5.419 -12.708
157 HE2 MET 24 1HE MET 24 3.799 6.584 -12.637
158 HE3 MET 24 2HE MET 24 2.456 6.704 -11.500
159 H TYR 25 H TYR 25 0.845 4.329 -17.159
160 HA TYR 25 HA TYR 25 -1.580 3.216 -18.101
161 HB2 TYR 25 1HB TYR 25 1.152 3.590 -19.291
162 HB3 TYR 25 2HB TYR 25 -0.082 2.683 -20.159
163 HD1 TYR 25 HD1 TYR 25 -0.009 5.874 -18.200
164 HD2 TYR 25 HD2 TYR 25 -1.101 3.911 -21.814
165 HE1 TYR 25 HE1 TYR 25 -0.947 7.981 -19.055
166 HE2 TYR 25 HE2 TYR 25 -2.040 6.013 -22.679
167 HH TYR 25 HH TYR 25 -2.900 8.493 -20.945
168 H SER 26 H SER 26 0.965 1.840 -16.402
169 HA SER 26 HA SER 26 0.760 -0.799 -17.586
170 HB2 SER 26 1HB SER 26 2.899 0.214 -16.615
171 HB3 SER 26 2HB SER 26 2.196 -0.093 -15.027
172 HG SER 26 HG SER 26 2.766 -2.006 -17.045
173 H HIS 27 H HIS 27 -1.641 0.355 -16.449
174 HA HIS 27 HA HIS 27 -3.400 -0.190 -15.110
175 HB2 HIS 27 1HB HIS 27 -2.642 -2.457 -16.294
176 HB3 HIS 27 2HB HIS 27 -2.312 -2.921 -14.627
177 HD1 HIS 27 HD1 HIS 27 -4.211 -4.577 -14.383
178 HD2 HIS 27 HD2 HIS 27 -5.478 -0.816 -15.613
179 HE1 HIS 27 HE1 HIS 27 -6.720 -4.626 -14.222
180 H CYS 28 H CYS 28 -1.676 1.232 -13.702
181 HA CYS 28 HA CYS 28 -1.396 -0.193 -11.136
182 HB2 CYS 28 1HB CYS 28 0.648 0.884 -12.497
183 HB3 CYS 28 2HB CYS 28 0.128 2.315 -11.612
184 H PHE 29 H PHE 29 -2.844 2.423 -12.800
185 HA PHE 29 HA PHE 29 -3.810 3.538 -10.249
186 HB2 PHE 29 1HB PHE 29 -3.142 4.861 -12.861
187 HB3 PHE 29 2HB PHE 29 -4.296 5.604 -11.758
188 HD1 PHE 29 HD2 PHE 29 -1.008 3.882 -11.349
189 HD2 PHE 29 HD1 PHE 29 -3.373 7.337 -10.585
190 HE1 PHE 29 HE2 PHE 29 0.853 4.870 -10.077
191 HE2 PHE 29 HE1 PHE 29 -1.517 8.331 -9.314
192 HZ PHE 29 HZ PHE 29 0.600 7.098 -9.059
193 H GLY 30 H GLY 30 -4.641 2.197 -13.324
194 HA2 GLY 30 1HA GLY 30 -6.732 1.159 -13.736
195 HA3 GLY 30 2HA GLY 30 -7.459 2.201 -12.522
196 H VAL 31 H VAL 31 -5.347 3.576 -14.899
197 HA VAL 31 HA VAL 31 -7.653 4.951 -16.085
198 HB VAL 31 HB VAL 31 -6.053 6.606 -16.912
199 HG11 VAL 31 1HG1 VAL 31 -7.051 6.838 -14.660
200 HG12 VAL 31 2HG1 VAL 31 -5.623 6.055 -13.978
201 HG13 VAL 31 3HG1 VAL 31 -5.471 7.610 -14.798
202 HG21 VAL 31 3HG2 VAL 31 -3.984 5.832 -17.301
203 HG22 VAL 31 1HG2 VAL 31 -3.696 6.196 -15.600
204 HG23 VAL 31 2HG2 VAL 31 -4.129 4.558 -16.090
205 H LYS 32 H LYS 32 -4.912 2.917 -16.851
206 HA LYS 32 HA LYS 32 -4.869 3.171 -19.628
207 HB2 LYS 32 1HB LYS 32 -3.124 2.001 -18.377
208 HB3 LYS 32 2HB LYS 32 -4.266 0.738 -17.935
209 HG2 LYS 32 1HG LYS 32 -3.162 -0.250 -19.678
210 HG3 LYS 32 2HG LYS 32 -4.533 0.477 -20.519
211 HD2 LYS 32 1HD LYS 32 -1.943 1.959 -20.210
212 HD3 LYS 32 2HD LYS 32 -2.171 0.786 -21.510
213 HE2 LYS 32 1HE LYS 32 -4.449 2.257 -21.708
214 HE3 LYS 32 2HE LYS 32 -3.298 3.477 -21.164
215 HZ1 LYS 32 3HZ LYS 32 -3.495 2.145 -23.709
216 HZ2 LYS 32 1HZ LYS 32 -1.922 2.180 -23.088
217 HZ3 LYS 32 2HZ LYS 32 -2.773 3.623 -23.314
218 H HIS 33 H HIS 33 -6.309 2.680 -21.138
219 HA HIS 33 HA HIS 33 -8.685 1.184 -20.452
220 HB2 HIS 33 1HB HIS 33 -7.943 2.274 -23.167
221 HB3 HIS 33 2HB HIS 33 -9.551 1.884 -22.565
222 HD1 HIS 33 HD1 HIS 33 -8.106 4.731 -23.552
223 HD2 HIS 33 HD2 HIS 33 -9.519 3.624 -19.805
224 HE1 HIS 33 HE1 HIS 33 -8.566 6.888 -22.342
225 H SER 34 H SER 34 -9.495 -0.372 -22.266
226 HA SER 34 HA SER 34 -7.552 -2.503 -22.404
227 HB2 SER 34 1HB SER 34 -9.950 -2.907 -21.831
228 HB3 SER 34 2HB SER 34 -10.382 -2.448 -23.477
229 HG SER 34 HG SER 34 -9.583 -4.819 -22.590
230 H SER 35 H SER 35 -6.674 -3.409 -24.236
231 HA SER 35 HA SER 35 -6.230 -1.673 -26.434
232 HB2 SER 35 1HB SER 35 -5.672 -4.618 -26.574
233 HB3 SER 35 2HB SER 35 -4.727 -3.275 -27.215
234 HG SER 35 HG SER 35 -3.635 -3.890 -25.438
235 H GLY 36 H GLY 36 -8.206 -1.177 -27.388
236 HA2 GLY 36 1HA GLY 36 -9.944 -3.287 -28.335
237 HA3 GLY 36 2HA GLY 36 -10.175 -1.560 -28.563
238 H GLY 37 H GLY 37 -10.030 -4.157 -30.314
239 HA2 GLY 37 1HA GLY 37 -9.816 -4.177 -32.661
240 HA3 GLY 37 2HA GLY 37 -8.758 -2.778 -32.554
241 H GLY 38 H GLY 38 -6.951 -3.782 -30.619
242 HA2 GLY 38 1HA GLY 38 -5.393 -5.569 -30.315
243 HA3 GLY 38 2HA GLY 38 -5.825 -6.172 -31.908
244 H GLY 39 H GLY 39 -3.178 -5.604 -30.791
245 HA2 GLY 39 1HA GLY 39 -2.165 -4.095 -33.042
246 HA3 GLY 39 2HA GLY 39 -1.922 -3.316 -31.486
247 H SER 40 H SER 40 0.314 -3.778 -32.746
248 HA SER 40 HA SER 40 1.718 -5.580 -31.067
249 HB2 SER 40 1HB SER 40 0.714 -7.241 -32.601
250 HB3 SER 40 2HB SER 40 1.465 -6.416 -33.967
251 HG SER 40 HG SER 40 2.720 -8.185 -33.265
252 H TYR 41 H TYR 41 4.059 -5.740 -31.719
253 HA TYR 41 HA TYR 41 4.870 -3.298 -33.157
254 HB2 TYR 41 1HB TYR 41 5.234 -3.575 -30.551
255 HB3 TYR 41 2HB TYR 41 6.631 -4.512 -31.071
256 HD1 TYR 41 HD1 TYR 41 5.119 -1.177 -30.953
257 HD2 TYR 41 HD2 TYR 41 8.508 -3.442 -32.174
258 HE1 TYR 41 HE1 TYR 41 6.392 0.905 -31.259
259 HE2 TYR 41 HE2 TYR 41 9.791 -1.366 -32.482
260 HH TYR 41 HH TYR 41 8.380 1.666 -32.607
261 H HIS 42 H HIS 42 7.016 -3.387 -34.154
262 HA HIS 42 HA HIS 42 7.461 -6.007 -35.369
263 HB2 HIS 42 1HB HIS 42 7.225 -3.696 -36.614
264 HB3 HIS 42 2HB HIS 42 8.934 -3.543 -36.215
265 HD1 HIS 42 HD1 HIS 42 6.704 -6.189 -37.817
266 HD2 HIS 42 HD2 HIS 42 10.507 -4.549 -38.159
267 HE1 HIS 42 HE1 HIS 42 7.756 -7.336 -39.792
268 H CYS 43 H CYS 43 8.298 -5.661 -32.677
269 HA CYS 43 HA CYS 43 11.032 -5.028 -32.436
270 HB2 CYS 43 1HB CYS 43 9.309 -5.296 -30.571
271 HB3 CYS 43 2HB CYS 43 9.569 -7.031 -30.719
272 H1 NAG 101 H1 NAG 100 5.183 19.574 -21.265
273 H2 NAG 101 HC2 NAG 100 7.329 19.986 -19.109
274 H3 NAG 101 HC3 NAG 100 5.975 21.981 -21.016
275 H4 NAG 101 HC4 NAG 100 8.836 20.850 -21.060
276 H5 NAG 101 H5 NAG 100 6.415 20.277 -22.862
277 H61 NAG 101 1H6 NAG 100 8.590 20.434 -24.105
278 H62 NAG 101 2H6 NAG 100 9.328 19.292 -22.971
279 H81 NAG 101 3H8 NAG 100 3.897 21.456 -16.756
280 H82 NAG 101 1H8 NAG 100 3.193 19.822 -17.002
281 H83 NAG 101 2H8 NAG 100 4.364 20.103 -15.670
282 HN2 NAG 101 H2 NAG 100 4.710 21.378 -19.063
283 HO3 NAG 101 H3 NAG 100 7.677 23.362 -20.197
284 HO4 NAG 101 H4 NAG 100 9.121 22.189 -22.764
285 HO6 NAG 101 HO6 NAG 100 7.338 17.879 -23.617
286 H1 NAG 102 H1 NAG 200 12.951 -5.872 -28.397
287 H2 NAG 102 HC2 NAG 200 14.498 -8.388 -29.234
288 H3 NAG 102 HC3 NAG 200 15.270 -6.073 -27.365
289 H4 NAG 102 HC4 NAG 200 16.272 -6.731 -30.198
290 H5 NAG 102 H5 NAG 200 14.399 -4.516 -29.188
291 H61 NAG 102 1H6 NAG 200 16.019 -3.751 -30.946
292 H62 NAG 102 2H6 NAG 200 15.551 -5.109 -31.979
293 H81 NAG 102 3H8 NAG 200 11.574 -10.531 -26.322
294 H82 NAG 102 1H8 NAG 200 13.248 -10.744 -25.710
295 H83 NAG 102 2H8 NAG 200 12.342 -9.238 -25.341
296 HN2 NAG 102 H2 NAG 200 13.850 -7.760 -26.408
297 HO3 NAG 102 H3 NAG 200 17.360 -7.109 -27.539
298 HO4 NAG 102 H4 NAG 200 17.595 -5.016 -29.908
299 HO6 NAG 102 HO6 NAG 200 13.235 -4.184 -31.578
Start of MODEL 12
1 H1 LYS 1 H LYS 1 0.629 -2.683 -4.692
2 HA LYS 1 HA LYS 1 1.865 -2.169 -6.631
3 HB2 LYS 1 1HB LYS 1 2.135 0.310 -6.641
4 HB3 LYS 1 2HB LYS 1 0.558 -0.228 -6.079
5 HG2 LYS 1 1HG LYS 1 1.765 -0.056 -3.722
6 HG3 LYS 1 2HG LYS 1 2.745 1.117 -4.604
7 HD2 LYS 1 1HD LYS 1 1.063 2.468 -3.811
8 HD3 LYS 1 2HD LYS 1 0.405 2.014 -5.385
9 HE2 LYS 1 1HE LYS 1 -0.216 0.272 -3.060
10 HE3 LYS 1 2HE LYS 1 -1.019 1.839 -3.151
11 HZ1 LYS 1 3HZ LYS 1 -2.473 0.794 -4.455
12 HZ2 LYS 1 1HZ LYS 1 -1.455 -0.533 -4.711
13 HZ3 LYS 1 2HZ LYS 1 -1.289 0.857 -5.661
14 HA PRO 2 HA PRO 2 6.239 -2.327 -6.293
15 HB2 PRO 2 1HB PRO 2 6.996 -0.996 -8.535
16 HB3 PRO 2 2HB PRO 2 6.289 -2.615 -8.571
17 HG2 PRO 2 1HG PRO 2 4.985 0.033 -9.067
18 HG3 PRO 2 2HG PRO 2 4.798 -1.490 -9.956
19 HD2 PRO 2 1HD PRO 2 2.989 -0.636 -8.130
20 HD3 PRO 2 2HD PRO 2 3.325 -2.357 -8.409
21 H ALA 3 H ALA 3 8.209 -0.674 -6.888
22 HA ALA 3 HA ALA 3 7.829 1.530 -5.027
23 HB1 ALA 3 1HB ALA 3 9.808 -0.073 -4.987
24 HB2 ALA 3 2HB ALA 3 10.401 0.807 -6.397
25 HB3 ALA 3 3HB ALA 3 10.166 1.649 -4.865
26 H TRP 4 H TRP 4 7.023 1.294 -8.062
27 HA TRP 4 HA TRP 4 8.303 3.755 -9.007
28 HB2 TRP 4 1HB TRP 4 6.388 2.299 -10.744
29 HB3 TRP 4 2HB TRP 4 7.932 3.047 -11.145
30 HD1 TRP 4 HD1 TRP 4 9.911 1.450 -9.354
31 HE1 TRP 4 HE1 TRP 4 10.338 -1.055 -9.765
32 HE3 TRP 4 HE3 TRP 4 5.635 0.307 -11.912
33 HZ2 TRP 4 HZ2 TRP 4 9.035 -3.228 -11.010
34 HZ3 TRP 4 HZ3 TRP 4 5.302 -2.008 -12.678
35 HH2 TRP 4 HH2 TRP 4 6.968 -3.737 -12.236
36 H CYS 5 H CYS 5 5.125 2.352 -8.357
37 HA CYS 5 HA CYS 5 3.793 4.859 -8.979
38 HB2 CYS 5 1HB CYS 5 2.518 2.397 -7.795
39 HB3 CYS 5 2HB CYS 5 1.748 3.680 -8.722
40 H TRP 6 H TRP 6 1.778 4.972 -7.149
41 HA TRP 6 HA TRP 6 2.976 5.032 -4.493
42 HB2 TRP 6 1HB TRP 6 3.079 7.309 -6.003
43 HB3 TRP 6 2HB TRP 6 1.555 7.526 -5.146
44 HD1 TRP 6 HD1 TRP 6 5.232 7.892 -4.709
45 HE1 TRP 6 HE1 TRP 6 5.776 8.537 -2.277
46 HE3 TRP 6 HE3 TRP 6 0.666 6.997 -2.591
47 HZ2 TRP 6 HZ2 TRP 6 4.446 8.650 0.210
48 HZ3 TRP 6 HZ3 TRP 6 0.386 7.398 -0.180
49 HH2 TRP 6 HH2 TRP 6 2.238 8.207 1.190
50 H TYR 7 H TYR 7 0.121 5.758 -6.471
51 HA TYR 7 HA TYR 7 -1.606 4.100 -5.034
52 HB2 TYR 7 1HB TYR 7 -1.056 6.332 -3.537
53 HB3 TYR 7 2HB TYR 7 -2.530 6.809 -4.374
54 HD1 TYR 7 HD2 TYR 7 -1.218 3.762 -2.638
55 HD2 TYR 7 HD1 TYR 7 -4.483 6.425 -3.225
56 HE1 TYR 7 HE2 TYR 7 -2.547 2.480 -1.014
57 HE2 TYR 7 HE1 TYR 7 -5.822 5.152 -1.601
58 HH TYR 7 HH TYR 7 -5.933 3.032 -0.567
59 H THR 8 H THR 8 -4.029 5.383 -5.285
60 HA THR 8 HA THR 8 -4.229 5.608 -8.196
61 HB THR 8 HB THR 8 -6.583 5.463 -6.332
62 HG1 THR 8 HG1 THR 8 -4.893 3.352 -7.208
63 HG21 THR 8 3HG2 THR 8 -7.672 5.487 -8.277
64 HG22 THR 8 1HG2 THR 8 -6.939 3.929 -8.655
65 HG23 THR 8 2HG2 THR 8 -6.157 5.421 -9.177
66 H LEU 9 H LEU 9 -3.314 7.793 -6.366
67 HA LEU 9 HA LEU 9 -5.294 9.755 -6.074
68 HB2 LEU 9 1HB LEU 9 -2.341 9.688 -6.091
69 HB3 LEU 9 2HB LEU 9 -3.086 11.254 -6.402
70 HG LEU 9 HG LEU 9 -2.494 10.982 -4.048
71 HD11 LEU 9 1HD1 LEU 9 -4.335 12.059 -3.307
72 HD12 LEU 9 2HD1 LEU 9 -5.440 10.835 -3.932
73 HD13 LEU 9 3HD1 LEU 9 -4.756 12.043 -5.020
74 HD21 LEU 9 3HD2 LEU 9 -2.611 8.673 -3.655
75 HD22 LEU 9 1HD2 LEU 9 -4.262 8.564 -4.264
76 HD23 LEU 9 2HD2 LEU 9 -3.942 9.355 -2.720
77 H ALA 10 H ALA 10 -3.419 8.758 -8.829
78 HA ALA 10 HA ALA 10 -3.535 9.302 -11.037
79 HB1 ALA 10 1HB ALA 10 -6.032 9.183 -10.444
80 HB2 ALA 10 2HB ALA 10 -5.981 10.946 -10.488
81 HB3 ALA 10 3HB ALA 10 -5.567 10.016 -11.928
82 H MET 11 H MET 11 -1.629 10.651 -10.089
83 HA MET 11 HA MET 11 -1.920 13.467 -9.911
84 HB2 MET 11 1HB MET 11 0.503 11.727 -10.383
85 HB3 MET 11 2HB MET 11 0.585 13.467 -10.145
86 HG2 MET 11 1HG MET 11 -0.356 13.241 -7.928
87 HG3 MET 11 2HG MET 11 -0.543 11.505 -8.164
88 HE1 MET 11 3HE MET 11 0.989 9.914 -8.347
89 HE2 MET 11 1HE MET 11 2.744 9.991 -8.192
90 HE3 MET 11 2HE MET 11 1.732 9.960 -6.748
91 H CYS 12 H CYS 12 0.056 11.768 -12.331
92 HA CYS 12 HA CYS 12 0.134 13.799 -14.195
93 HB2 CYS 12 1HB CYS 12 0.904 12.190 -15.769
94 HB3 CYS 12 2HB CYS 12 1.469 11.645 -14.193
95 H GLY 13 H GLY 13 -0.937 14.065 -16.251
96 HA2 GLY 13 1HA GLY 13 -2.742 13.783 -17.740
97 HA3 GLY 13 2HA GLY 13 -3.553 12.796 -16.534
98 H ALA 14 H ALA 14 -2.878 14.963 -14.501
99 HA ALA 14 HA ALA 14 -5.107 16.747 -15.225
100 HB1 ALA 14 1HB ALA 14 -5.424 17.065 -12.800
101 HB2 ALA 14 2HB ALA 14 -5.611 15.382 -13.295
102 HB3 ALA 14 3HB ALA 14 -4.127 15.908 -12.499
103 H GLY 15 H GLY 15 -2.191 17.032 -15.854
104 HA2 GLY 15 1HA GLY 15 -1.209 19.197 -16.231
105 HA3 GLY 15 2HA GLY 15 -1.885 19.724 -14.697
106 H TYR 16 H TYR 16 -0.951 16.966 -13.650
107 HA TYR 16 HA TYR 16 1.356 17.856 -12.352
108 HB2 TYR 16 1HB TYR 16 -0.096 15.306 -12.606
109 HB3 TYR 16 2HB TYR 16 1.614 15.142 -12.226
110 HD1 TYR 16 HD2 TYR 16 -1.600 16.518 -11.060
111 HD2 TYR 16 HD1 TYR 16 2.467 15.751 -10.076
112 HE1 TYR 16 HE2 TYR 16 -2.087 17.000 -8.697
113 HE2 TYR 16 HE1 TYR 16 1.992 16.230 -7.711
114 HH TYR 16 HH TYR 16 0.469 16.874 -6.232
115 H ASP 17 H ASP 17 0.940 16.066 -15.343
116 HA ASP 17 HA ASP 17 3.854 16.215 -15.769
117 HB2 ASP 17 1HB ASP 17 1.905 14.129 -16.770
118 HB3 ASP 17 2HB ASP 17 3.597 14.228 -17.249
119 H SER 18 H SER 18 4.110 15.736 -18.371
120 HA SER 18 HA SER 18 3.002 18.127 -19.564
121 HB2 SER 18 1HB SER 18 5.055 16.104 -20.432
122 HB3 SER 18 2HB SER 18 4.430 17.308 -21.558
123 H GLY 19 H GLY 19 0.795 17.210 -19.372
124 HA2 GLY 19 1HA GLY 19 -0.213 15.086 -18.952
125 HA3 GLY 19 2HA GLY 19 -0.669 15.492 -20.600
126 H THR 20 H THR 20 1.750 13.767 -18.677
127 HA THR 20 HA THR 20 1.792 11.649 -20.661
128 HB THR 20 HB THR 20 3.578 13.285 -21.359
129 HG1 THR 20 HG1 THR 20 3.588 10.797 -21.517
130 HG21 THR 20 3HG2 THR 20 4.911 12.339 -18.819
131 HG22 THR 20 1HG2 THR 20 4.284 13.963 -19.100
132 HG23 THR 20 2HG2 THR 20 5.638 13.362 -20.057
133 H CYS 21 H CYS 21 2.185 9.677 -19.786
134 HA CYS 21 HA CYS 21 3.163 9.570 -17.015
135 HB2 CYS 21 1HB CYS 21 0.904 7.844 -18.027
136 HB3 CYS 21 2HB CYS 21 1.460 8.032 -16.367
137 H ASP 22 H ASP 22 3.257 6.967 -16.519
138 HA ASP 22 HA ASP 22 4.362 5.506 -18.760
139 HB2 ASP 22 1HB ASP 22 6.057 6.918 -16.871
140 HB3 ASP 22 2HB ASP 22 6.380 5.186 -16.862
141 H TYR 23 H TYR 23 4.923 5.239 -15.263
142 HA TYR 23 HA TYR 23 4.346 2.480 -15.193
143 HB2 TYR 23 1HB TYR 23 4.205 4.340 -12.822
144 HB3 TYR 23 2HB TYR 23 4.614 2.628 -12.832
145 HD1 TYR 23 HD2 TYR 23 6.588 2.475 -14.998
146 HD2 TYR 23 HD1 TYR 23 6.079 5.424 -11.973
147 HE1 TYR 23 HE2 TYR 23 8.975 3.044 -15.159
148 HE2 TYR 23 HE1 TYR 23 8.465 6.001 -12.127
149 HH TYR 23 HH TYR 23 10.361 5.352 -14.559
150 H MET 24 H MET 24 2.345 5.291 -14.975
151 HA MET 24 HA MET 24 0.139 4.204 -13.609
152 HB2 MET 24 1HB MET 24 0.394 6.446 -15.605
153 HB3 MET 24 2HB MET 24 -1.147 6.018 -14.874
154 HG2 MET 24 1HG MET 24 -0.481 7.663 -13.457
155 HG3 MET 24 2HG MET 24 0.216 6.264 -12.643
156 HE1 MET 24 3HE MET 24 2.521 6.872 -11.477
157 HE2 MET 24 1HE MET 24 2.591 5.573 -12.668
158 HE3 MET 24 2HE MET 24 3.867 6.790 -12.615
159 H TYR 25 H TYR 25 0.941 4.329 -17.057
160 HA TYR 25 HA TYR 25 -1.463 3.146 -17.967
161 HB2 TYR 25 1HB TYR 25 1.260 3.542 -19.171
162 HB3 TYR 25 2HB TYR 25 0.041 2.593 -20.015
163 HD1 TYR 25 HD1 TYR 25 0.026 5.821 -18.118
164 HD2 TYR 25 HD2 TYR 25 -0.968 3.772 -21.711
165 HE1 TYR 25 HE1 TYR 25 -0.951 7.890 -19.020
166 HE2 TYR 25 HE2 TYR 25 -1.947 5.835 -22.624
167 HH TYR 25 HH TYR 25 -2.391 8.682 -20.664
168 H SER 26 H SER 26 1.110 1.861 -16.239
169 HA SER 26 HA SER 26 0.953 -0.809 -17.357
170 HB2 SER 26 1HB SER 26 3.029 0.411 -16.282
171 HB3 SER 26 2HB SER 26 2.350 -0.210 -14.778
172 HG SER 26 HG SER 26 3.225 -2.038 -15.289
173 H HIS 27 H HIS 27 -1.462 0.341 -16.228
174 HA HIS 27 HA HIS 27 -3.206 -0.205 -14.871
175 HB2 HIS 27 1HB HIS 27 -1.754 -2.794 -15.239
176 HB3 HIS 27 2HB HIS 27 -3.094 -2.725 -14.098
177 HD1 HIS 27 HD1 HIS 27 -4.297 -4.416 -15.761
178 HD2 HIS 27 HD2 HIS 27 -3.642 -0.591 -17.246
179 HE1 HIS 27 HE1 HIS 27 -5.784 -4.214 -17.779
180 H CYS 28 H CYS 28 -1.520 1.279 -13.498
181 HA CYS 28 HA CYS 28 -1.199 -0.086 -10.905
182 HB2 CYS 28 1HB CYS 28 0.822 0.996 -12.304
183 HB3 CYS 28 2HB CYS 28 0.290 2.429 -11.431
184 H PHE 29 H PHE 29 -2.693 2.467 -12.622
185 HA PHE 29 HA PHE 29 -3.662 3.630 -10.093
186 HB2 PHE 29 1HB PHE 29 -3.023 4.902 -12.737
187 HB3 PHE 29 2HB PHE 29 -4.179 5.655 -11.644
188 HD1 PHE 29 HD2 PHE 29 -0.864 3.986 -11.226
189 HD2 PHE 29 HD1 PHE 29 -3.274 7.420 -10.507
190 HE1 PHE 29 HE2 PHE 29 0.992 5.025 -9.989
191 HE2 PHE 29 HE1 PHE 29 -1.421 8.465 -9.269
192 HZ PHE 29 HZ PHE 29 0.714 7.266 -9.008
193 H GLY 30 H GLY 30 -4.488 2.248 -13.161
194 HA2 GLY 30 1HA GLY 30 -6.527 1.244 -13.705
195 HA3 GLY 30 2HA GLY 30 -7.259 2.033 -12.316
196 H VAL 31 H VAL 31 -5.386 3.768 -14.707
197 HA VAL 31 HA VAL 31 -7.811 5.250 -15.438
198 HB VAL 31 HB VAL 31 -6.301 6.985 -16.290
199 HG11 VAL 31 1HG1 VAL 31 -6.921 6.512 -13.723
200 HG12 VAL 31 2HG1 VAL 31 -5.160 6.486 -13.612
201 HG13 VAL 31 3HG1 VAL 31 -5.984 7.910 -14.251
202 HG21 VAL 31 3HG2 VAL 31 -3.815 6.430 -15.285
203 HG22 VAL 31 1HG2 VAL 31 -4.325 4.866 -15.919
204 HG23 VAL 31 2HG2 VAL 31 -4.289 6.277 -16.977
205 H LYS 32 H LYS 32 -5.205 3.329 -16.767
206 HA LYS 32 HA LYS 32 -5.412 3.867 -19.465
207 HB2 LYS 32 1HB LYS 32 -3.674 2.426 -18.715
208 HB3 LYS 32 2HB LYS 32 -4.819 1.293 -18.011
209 HG2 LYS 32 1HG LYS 32 -5.308 0.323 -20.013
210 HG3 LYS 32 2HG LYS 32 -4.974 1.792 -20.933
211 HD2 LYS 32 1HD LYS 32 -2.744 0.386 -19.524
212 HD3 LYS 32 2HD LYS 32 -3.337 -0.238 -21.065
213 HE2 LYS 32 1HE LYS 32 -3.085 2.321 -21.744
214 HE3 LYS 32 2HE LYS 32 -1.882 2.276 -20.456
215 HZ1 LYS 32 3HZ LYS 32 -1.867 0.222 -22.568
216 HZ2 LYS 32 1HZ LYS 32 -0.591 0.765 -21.598
217 HZ3 LYS 32 2HZ LYS 32 -1.170 1.737 -22.855
218 H HIS 33 H HIS 33 -6.737 3.261 -21.115
219 HA HIS 33 HA HIS 33 -9.137 1.715 -20.383
220 HB2 HIS 33 1HB HIS 33 -9.421 4.223 -20.862
221 HB3 HIS 33 2HB HIS 33 -9.080 3.816 -22.541
222 HD1 HIS 33 HD1 HIS 33 -11.075 3.294 -23.899
223 HD2 HIS 33 HD2 HIS 33 -11.743 2.621 -19.854
224 HE1 HIS 33 HE1 HIS 33 -13.494 2.630 -23.718
225 H SER 34 H SER 34 -6.805 2.484 -22.914
226 HA SER 34 HA SER 34 -7.854 0.436 -24.675
227 HB2 SER 34 1HB SER 34 -6.460 1.304 -26.314
228 HB3 SER 34 2HB SER 34 -6.735 2.730 -25.313
229 HG SER 34 HG SER 34 -4.590 2.700 -25.467
230 H SER 35 H SER 35 -6.885 -1.499 -25.173
231 HA SER 35 HA SER 35 -5.242 -2.657 -23.138
232 HB2 SER 35 1HB SER 35 -6.142 -3.762 -25.809
233 HB3 SER 35 2HB SER 35 -5.353 -4.699 -24.540
234 HG SER 35 HG SER 35 -7.945 -3.680 -24.661
235 H GLY 36 H GLY 36 -4.742 -2.248 -26.652
236 HA2 GLY 36 1HA GLY 36 -1.894 -2.696 -26.332
237 HA3 GLY 36 2HA GLY 36 -2.746 -2.425 -27.845
238 H GLY 37 H GLY 37 -1.107 -0.962 -28.501
239 HA2 GLY 37 1HA GLY 37 -1.656 1.751 -27.727
240 HA3 GLY 37 2HA GLY 37 -0.079 1.198 -27.185
241 H GLY 38 H GLY 38 1.576 0.950 -28.649
242 HA2 GLY 38 1HA GLY 38 0.947 1.557 -31.465
243 HA3 GLY 38 2HA GLY 38 2.206 2.452 -30.626
244 H GLY 39 H GLY 39 4.210 1.744 -30.915
245 HA2 GLY 39 1HA GLY 39 5.310 -0.677 -30.573
246 HA3 GLY 39 2HA GLY 39 4.633 -0.832 -32.187
247 H SER 40 H SER 40 5.111 1.948 -32.897
248 HA SER 40 HA SER 40 8.026 2.158 -32.829
249 HB2 SER 40 1HB SER 40 6.479 2.243 -35.427
250 HB3 SER 40 2HB SER 40 8.227 2.359 -35.229
251 HG SER 40 HG SER 40 7.478 0.246 -35.842
252 H TYR 41 H TYR 41 8.332 4.118 -32.008
253 HA TYR 41 HA TYR 41 7.407 6.444 -33.382
254 HB2 TYR 41 1HB TYR 41 5.485 5.591 -31.787
255 HB3 TYR 41 2HB TYR 41 6.462 6.370 -30.547
256 HD1 TYR 41 HD2 TYR 41 6.753 8.791 -30.529
257 HD2 TYR 41 HD1 TYR 41 4.341 6.894 -33.477
258 HE1 TYR 41 HE2 TYR 41 5.766 10.967 -31.113
259 HE2 TYR 41 HE1 TYR 41 3.349 9.065 -34.070
260 HH TYR 41 HH TYR 41 3.300 11.612 -32.288
261 H HIS 42 H HIS 42 8.265 8.433 -32.448
262 HA HIS 42 HA HIS 42 10.803 7.920 -31.096
263 HB2 HIS 42 1HB HIS 42 9.719 10.219 -32.700
264 HB3 HIS 42 2HB HIS 42 11.140 10.424 -31.680
265 HD1 HIS 42 HD1 HIS 42 12.369 7.573 -32.331
266 HD2 HIS 42 HD2 HIS 42 11.060 10.373 -35.107
267 HE1 HIS 42 HE1 HIS 42 13.601 7.038 -34.457
268 H CYS 43 H CYS 43 8.507 7.681 -29.495
269 HA CYS 43 HA CYS 43 7.800 9.985 -28.075
270 HB2 CYS 43 1HB CYS 43 6.909 8.514 -26.402
271 HB3 CYS 43 2HB CYS 43 6.636 7.763 -27.971
272 H1 NAG 101 H1 NAG 100 5.281 19.603 -21.203
273 H2 NAG 101 HC2 NAG 100 7.239 19.886 -18.856
274 H3 NAG 101 HC3 NAG 100 6.101 21.979 -20.799
275 H4 NAG 101 HC4 NAG 100 8.929 20.778 -20.637
276 H5 NAG 101 H5 NAG 100 6.663 20.329 -22.661
277 H61 NAG 101 1H6 NAG 100 8.942 20.473 -23.705
278 H62 NAG 101 2H6 NAG 100 9.552 19.275 -22.554
279 H81 NAG 101 3H8 NAG 100 3.715 21.368 -16.663
280 H82 NAG 101 1H8 NAG 100 2.914 19.849 -17.188
281 H83 NAG 101 2H8 NAG 100 3.940 19.859 -15.714
282 HN2 NAG 101 H2 NAG 100 4.658 21.341 -18.987
283 HO3 NAG 101 H3 NAG 100 7.756 23.287 -19.786
284 HO4 NAG 101 H4 NAG 100 9.392 22.167 -22.259
285 HO6 NAG 101 HO6 NAG 100 7.595 17.935 -23.420
286 H1 NAG 102 H1 NAG 200 7.368 5.002 -25.671
287 H2 NAG 102 HC2 NAG 200 6.207 3.422 -28.033
288 H3 NAG 102 HC3 NAG 200 6.568 2.659 -25.076
289 H4 NAG 102 HC4 NAG 200 8.116 1.702 -27.558
290 H5 NAG 102 H5 NAG 200 8.931 3.599 -25.283
291 H61 NAG 102 1H6 NAG 200 10.755 2.031 -26.000
292 H62 NAG 102 2H6 NAG 200 10.499 2.492 -27.689
293 H81 NAG 102 3H8 NAG 200 2.894 5.802 -25.965
294 H82 NAG 102 1H8 NAG 200 2.398 6.015 -27.677
295 H83 NAG 102 2H8 NAG 200 2.096 4.454 -26.843
296 HN2 NAG 102 H2 NAG 200 4.655 4.024 -25.577
297 HO3 NAG 102 H3 NAG 200 6.013 0.552 -25.928
298 HO4 NAG 102 H4 NAG 200 9.172 0.408 -26.149
299 HO6 NAG 102 HO6 NAG 200 10.809 4.817 -26.754
Start of MODEL 13
1 H1 LYS 1 H LYS 1 1.401 -1.738 -3.143
2 HA LYS 1 HA LYS 1 2.366 -1.984 -5.423
3 HB2 LYS 1 1HB LYS 1 2.112 0.688 -4.108
4 HB3 LYS 1 2HB LYS 1 2.741 0.607 -5.748
5 HG2 LYS 1 1HG LYS 1 0.648 -0.780 -6.270
6 HG3 LYS 1 2HG LYS 1 0.031 -0.164 -4.736
7 HD2 LYS 1 1HD LYS 1 0.821 2.144 -5.773
8 HD3 LYS 1 2HD LYS 1 0.576 1.267 -7.285
9 HE2 LYS 1 1HE LYS 1 -1.707 0.616 -6.237
10 HE3 LYS 1 2HE LYS 1 -1.412 1.983 -5.164
11 HZ1 LYS 1 3HZ LYS 1 -1.105 3.356 -7.199
12 HZ2 LYS 1 1HZ LYS 1 -2.674 2.755 -7.001
13 HZ3 LYS 1 2HZ LYS 1 -1.629 2.038 -8.121
14 HA PRO 2 HA PRO 2 6.733 -1.904 -5.839
15 HB2 PRO 2 1HB PRO 2 7.062 -0.840 -8.315
16 HB3 PRO 2 2HB PRO 2 6.438 -2.472 -8.045
17 HG2 PRO 2 1HG PRO 2 4.943 0.055 -8.632
18 HG3 PRO 2 2HG PRO 2 4.694 -1.571 -9.293
19 HD2 PRO 2 1HD PRO 2 3.155 -0.552 -7.311
20 HD3 PRO 2 2HD PRO 2 3.528 -2.284 -7.436
21 H ALA 3 H ALA 3 8.479 -0.259 -6.988
22 HA ALA 3 HA ALA 3 8.320 2.125 -5.328
23 HB1 ALA 3 1HB ALA 3 10.609 1.217 -7.064
24 HB2 ALA 3 2HB ALA 3 10.656 2.402 -5.757
25 HB3 ALA 3 3HB ALA 3 10.367 0.700 -5.395
26 H TRP 4 H TRP 4 7.002 1.505 -8.130
27 HA TRP 4 HA TRP 4 7.889 3.953 -9.488
28 HB2 TRP 4 1HB TRP 4 5.952 2.194 -10.853
29 HB3 TRP 4 2HB TRP 4 7.411 2.964 -11.472
30 HD1 TRP 4 HD1 TRP 4 9.676 1.663 -9.869
31 HE1 TRP 4 HE1 TRP 4 10.176 -0.857 -10.025
32 HE3 TRP 4 HE3 TRP 4 5.134 0.037 -11.561
33 HZ2 TRP 4 HZ2 TRP 4 8.825 -3.221 -10.768
34 HZ3 TRP 4 HZ3 TRP 4 4.821 -2.369 -11.970
35 HH2 TRP 4 HH2 TRP 4 6.629 -3.963 -11.582
36 H CYS 5 H CYS 5 4.916 2.222 -8.574
37 HA CYS 5 HA CYS 5 3.313 4.591 -9.057
38 HB2 CYS 5 1HB CYS 5 2.363 2.020 -7.801
39 HB3 CYS 5 2HB CYS 5 1.418 3.217 -8.680
40 H TRP 6 H TRP 6 1.427 4.508 -7.095
41 HA TRP 6 HA TRP 6 2.667 4.539 -4.490
42 HB2 TRP 6 1HB TRP 6 2.951 6.846 -5.922
43 HB3 TRP 6 2HB TRP 6 1.440 7.154 -5.071
44 HD1 TRP 6 HD1 TRP 6 5.122 7.262 -4.600
45 HE1 TRP 6 HE1 TRP 6 5.692 7.776 -2.143
46 HE3 TRP 6 HE3 TRP 6 0.499 6.567 -2.531
47 HZ2 TRP 6 HZ2 TRP 6 4.359 7.873 0.343
48 HZ3 TRP 6 HZ3 TRP 6 0.231 6.890 -0.107
49 HH2 TRP 6 HH2 TRP 6 2.122 7.529 1.299
50 H TYR 7 H TYR 7 -0.121 5.402 -6.484
51 HA TYR 7 HA TYR 7 -1.946 3.900 -4.990
52 HB2 TYR 7 1HB TYR 7 -1.304 6.146 -3.582
53 HB3 TYR 7 2HB TYR 7 -2.703 6.703 -4.492
54 HD1 TYR 7 HD2 TYR 7 -1.768 3.549 -2.702
55 HD2 TYR 7 HD1 TYR 7 -4.658 6.617 -3.286
56 HE1 TYR 7 HE2 TYR 7 -3.253 2.452 -1.077
57 HE2 TYR 7 HE1 TYR 7 -6.150 5.528 -1.662
58 HH TYR 7 HH TYR 7 -6.486 3.172 -0.763
59 H THR 8 H THR 8 -4.306 5.218 -5.356
60 HA THR 8 HA THR 8 -4.444 5.347 -8.276
61 HB THR 8 HB THR 8 -6.835 5.325 -6.453
62 HG1 THR 8 HG1 THR 8 -6.474 3.298 -5.967
63 HG21 THR 8 3HG2 THR 8 -7.996 5.042 -8.340
64 HG22 THR 8 1HG2 THR 8 -6.930 3.746 -8.881
65 HG23 THR 8 2HG2 THR 8 -6.513 5.428 -9.213
66 H LEU 9 H LEU 9 -3.518 7.571 -6.487
67 HA LEU 9 HA LEU 9 -5.471 9.587 -6.349
68 HB2 LEU 9 1HB LEU 9 -2.478 9.590 -6.381
69 HB3 LEU 9 2HB LEU 9 -3.375 11.107 -6.407
70 HG LEU 9 HG LEU 9 -3.492 9.011 -4.239
71 HD11 LEU 9 1HD1 LEU 9 -1.815 11.355 -4.690
72 HD12 LEU 9 2HD1 LEU 9 -1.604 10.003 -3.579
73 HD13 LEU 9 3HD1 LEU 9 -2.635 11.361 -3.128
74 HD21 LEU 9 3HD2 LEU 9 -5.630 10.060 -4.399
75 HD22 LEU 9 1HD2 LEU 9 -4.898 11.657 -4.557
76 HD23 LEU 9 2HD2 LEU 9 -4.782 10.782 -3.030
77 H ALA 10 H ALA 10 -3.266 8.614 -8.905
78 HA ALA 10 HA ALA 10 -3.194 9.113 -11.125
79 HB1 ALA 10 1HB ALA 10 -5.166 9.567 -12.235
80 HB2 ALA 10 2HB ALA 10 -5.753 8.848 -10.734
81 HB3 ALA 10 3HB ALA 10 -5.779 10.599 -10.942
82 H MET 11 H MET 11 -1.506 10.620 -10.031
83 HA MET 11 HA MET 11 -2.011 13.396 -9.892
84 HB2 MET 11 1HB MET 11 0.579 11.884 -10.265
85 HB3 MET 11 2HB MET 11 0.476 13.608 -9.932
86 HG2 MET 11 1HG MET 11 -0.196 13.291 -7.762
87 HG3 MET 11 2HG MET 11 -0.863 11.694 -8.090
88 HE1 MET 11 3HE MET 11 1.751 9.251 -7.490
89 HE2 MET 11 1HE MET 11 0.555 9.875 -6.353
90 HE3 MET 11 2HE MET 11 0.135 9.679 -8.055
91 H CYS 12 H CYS 12 0.026 11.688 -12.274
92 HA CYS 12 HA CYS 12 0.250 13.742 -14.105
93 HB2 CYS 12 1HB CYS 12 0.962 12.115 -15.690
94 HB3 CYS 12 2HB CYS 12 1.471 11.522 -14.112
95 H GLY 13 H GLY 13 -0.778 14.130 -16.150
96 HA2 GLY 13 1HA GLY 13 -2.563 13.963 -17.682
97 HA3 GLY 13 2HA GLY 13 -3.444 12.988 -16.516
98 H ALA 14 H ALA 14 -2.796 14.997 -14.377
99 HA ALA 14 HA ALA 14 -4.912 16.907 -15.094
100 HB1 ALA 14 1HB ALA 14 -5.164 17.220 -12.643
101 HB2 ALA 14 2HB ALA 14 -5.480 15.571 -13.183
102 HB3 ALA 14 3HB ALA 14 -3.950 15.963 -12.399
103 H GLY 15 H GLY 15 -2.017 17.129 -15.770
104 HA2 GLY 15 1HA GLY 15 -0.965 19.261 -16.119
105 HA3 GLY 15 2HA GLY 15 -1.607 19.786 -14.570
106 H TYR 16 H TYR 16 -0.754 17.006 -13.545
107 HA TYR 16 HA TYR 16 1.607 17.807 -12.288
108 HB2 TYR 16 1HB TYR 16 0.061 15.306 -12.520
109 HB3 TYR 16 2HB TYR 16 1.767 15.094 -12.142
110 HD1 TYR 16 HD2 TYR 16 -1.393 16.610 -10.985
111 HD2 TYR 16 HD1 TYR 16 2.633 15.654 -9.993
112 HE1 TYR 16 HE2 TYR 16 -1.859 17.121 -8.625
113 HE2 TYR 16 HE1 TYR 16 2.177 16.162 -7.630
114 HH TYR 16 HH TYR 16 -1.057 17.169 -6.558
115 H ASP 17 H ASP 17 1.064 16.196 -15.330
116 HA ASP 17 HA ASP 17 3.974 16.187 -15.789
117 HB2 ASP 17 1HB ASP 17 1.953 14.149 -16.747
118 HB3 ASP 17 2HB ASP 17 3.642 14.199 -17.245
119 H SER 18 H SER 18 4.166 15.694 -18.391
120 HA SER 18 HA SER 18 3.081 18.103 -19.572
121 HB2 SER 18 1HB SER 18 5.060 16.029 -20.507
122 HB3 SER 18 2HB SER 18 4.468 17.298 -21.579
123 H GLY 19 H GLY 19 0.863 17.227 -19.342
124 HA2 GLY 19 1HA GLY 19 -0.178 15.123 -18.897
125 HA3 GLY 19 2HA GLY 19 -0.652 15.530 -20.539
126 H THR 20 H THR 20 1.766 13.771 -18.646
127 HA THR 20 HA THR 20 1.740 11.643 -20.620
128 HB THR 20 HB THR 20 3.544 13.246 -21.352
129 HG1 THR 20 HG1 THR 20 4.899 11.557 -21.850
130 HG21 THR 20 3HG2 THR 20 4.297 13.909 -19.102
131 HG22 THR 20 1HG2 THR 20 5.624 13.292 -20.086
132 HG23 THR 20 2HG2 THR 20 4.906 12.276 -18.836
133 H CYS 21 H CYS 21 2.125 9.667 -19.745
134 HA CYS 21 HA CYS 21 3.118 9.563 -16.978
135 HB2 CYS 21 1HB CYS 21 0.862 7.831 -17.987
136 HB3 CYS 21 2HB CYS 21 1.416 8.026 -16.328
137 H ASP 22 H ASP 22 3.158 6.929 -16.506
138 HA ASP 22 HA ASP 22 4.312 5.500 -18.744
139 HB2 ASP 22 1HB ASP 22 5.965 6.861 -16.785
140 HB3 ASP 22 2HB ASP 22 6.269 5.126 -16.789
141 H TYR 23 H TYR 23 4.763 5.160 -15.238
142 HA TYR 23 HA TYR 23 4.158 2.406 -15.241
143 HB2 TYR 23 1HB TYR 23 3.961 4.210 -12.833
144 HB3 TYR 23 2HB TYR 23 4.371 2.499 -12.876
145 HD1 TYR 23 HD2 TYR 23 6.492 2.089 -14.596
146 HD2 TYR 23 HD1 TYR 23 5.721 5.587 -12.300
147 HE1 TYR 23 HE2 TYR 23 8.882 2.660 -14.675
148 HE2 TYR 23 HE1 TYR 23 8.109 6.169 -12.374
149 HH TYR 23 HH TYR 23 10.403 4.484 -12.762
150 H MET 24 H MET 24 2.181 5.235 -15.014
151 HA MET 24 HA MET 24 -0.074 4.136 -13.740
152 HB2 MET 24 1HB MET 24 0.268 6.434 -15.658
153 HB3 MET 24 2HB MET 24 -1.302 6.001 -14.992
154 HG2 MET 24 1HG MET 24 -0.659 7.603 -13.511
155 HG3 MET 24 2HG MET 24 -0.028 6.166 -12.710
156 HE1 MET 24 3HE MET 24 2.271 5.408 -12.648
157 HE2 MET 24 1HE MET 24 3.639 6.522 -12.610
158 HE3 MET 24 2HE MET 24 2.323 6.701 -11.449
159 H TYR 25 H TYR 25 0.829 4.352 -17.159
160 HA TYR 25 HA TYR 25 -1.561 3.223 -18.170
161 HB2 TYR 25 1HB TYR 25 1.197 3.626 -19.287
162 HB3 TYR 25 2HB TYR 25 -0.007 2.716 -20.192
163 HD1 TYR 25 HD1 TYR 25 -0.019 5.892 -18.207
164 HD2 TYR 25 HD2 TYR 25 -0.981 3.950 -21.869
165 HE1 TYR 25 HE1 TYR 25 -0.949 7.998 -19.073
166 HE2 TYR 25 HE2 TYR 25 -1.913 6.051 -22.745
167 HH TYR 25 HH TYR 25 -1.418 9.053 -21.233
168 H SER 26 H SER 26 0.937 1.860 -16.402
169 HA SER 26 HA SER 26 0.799 -0.773 -17.608
170 HB2 SER 26 1HB SER 26 2.856 0.365 -16.452
171 HB3 SER 26 2HB SER 26 2.111 -0.223 -14.966
172 HG SER 26 HG SER 26 3.476 -1.813 -15.676
173 H HIS 27 H HIS 27 -1.628 0.419 -16.476
174 HA HIS 27 HA HIS 27 -3.421 -0.148 -15.192
175 HB2 HIS 27 1HB HIS 27 -2.041 -2.758 -15.670
176 HB3 HIS 27 2HB HIS 27 -3.409 -2.708 -14.562
177 HD1 HIS 27 HD1 HIS 27 -3.437 -4.223 -17.308
178 HD2 HIS 27 HD2 HIS 27 -4.989 -0.429 -16.634
179 HE1 HIS 27 HE1 HIS 27 -5.162 -3.873 -19.105
180 H CYS 28 H CYS 28 -1.704 1.197 -13.705
181 HA CYS 28 HA CYS 28 -1.502 -0.316 -11.184
182 HB2 CYS 28 1HB CYS 28 0.594 0.757 -12.480
183 HB3 CYS 28 2HB CYS 28 0.101 2.157 -11.534
184 H PHE 29 H PHE 29 -2.882 2.356 -12.793
185 HA PHE 29 HA PHE 29 -3.832 3.450 -10.227
186 HB2 PHE 29 1HB PHE 29 -3.154 4.803 -12.823
187 HB3 PHE 29 2HB PHE 29 -4.273 5.551 -11.688
188 HD1 PHE 29 HD2 PHE 29 -1.015 3.751 -11.378
189 HD2 PHE 29 HD1 PHE 29 -3.298 7.229 -10.480
190 HE1 PHE 29 HE2 PHE 29 0.887 4.669 -10.116
191 HE2 PHE 29 HE1 PHE 29 -1.399 8.153 -9.217
192 HZ PHE 29 HZ PHE 29 0.697 6.873 -9.035
193 H GLY 30 H GLY 30 -4.682 2.180 -13.330
194 HA2 GLY 30 1HA GLY 30 -6.744 1.277 -13.938
195 HA3 GLY 30 2HA GLY 30 -7.460 2.016 -12.513
196 H VAL 31 H VAL 31 -5.539 3.813 -14.819
197 HA VAL 31 HA VAL 31 -7.928 5.384 -15.485
198 HB VAL 31 HB VAL 31 -6.333 7.107 -16.283
199 HG11 VAL 31 1HG1 VAL 31 -5.636 7.855 -14.102
200 HG12 VAL 31 2HG1 VAL 31 -7.225 7.097 -13.971
201 HG13 VAL 31 3HG1 VAL 31 -5.783 6.222 -13.454
202 HG21 VAL 31 3HG2 VAL 31 -4.473 5.646 -16.872
203 HG22 VAL 31 1HG2 VAL 31 -3.955 6.885 -15.729
204 HG23 VAL 31 2HG2 VAL 31 -4.241 5.236 -15.172
205 H LYS 32 H LYS 32 -5.334 3.498 -16.892
206 HA LYS 32 HA LYS 32 -5.511 4.175 -19.559
207 HB2 LYS 32 1HB LYS 32 -3.800 2.674 -18.884
208 HB3 LYS 32 2HB LYS 32 -4.961 1.528 -18.228
209 HG2 LYS 32 1HG LYS 32 -5.492 0.674 -20.282
210 HG3 LYS 32 2HG LYS 32 -5.073 2.164 -21.131
211 HD2 LYS 32 1HD LYS 32 -2.923 0.632 -19.742
212 HD3 LYS 32 2HD LYS 32 -3.531 0.044 -21.291
213 HE2 LYS 32 1HE LYS 32 -3.180 2.642 -21.888
214 HE3 LYS 32 2HE LYS 32 -1.929 2.445 -20.661
215 HZ1 LYS 32 3HZ LYS 32 -1.484 1.931 -23.190
216 HZ2 LYS 32 1HZ LYS 32 -2.100 0.416 -22.758
217 HZ3 LYS 32 2HZ LYS 32 -0.742 1.035 -21.962
218 H HIS 33 H HIS 33 -6.724 3.463 -21.312
219 HA HIS 33 HA HIS 33 -9.247 2.104 -20.624
220 HB2 HIS 33 1HB HIS 33 -8.694 4.447 -22.409
221 HB3 HIS 33 2HB HIS 33 -10.072 3.403 -22.743
222 HD1 HIS 33 HD1 HIS 33 -11.428 2.963 -20.203
223 HD2 HIS 33 HD2 HIS 33 -9.556 6.581 -21.017
224 HE1 HIS 33 HE1 HIS 33 -12.505 4.638 -18.666
225 H SER 34 H SER 34 -6.804 2.615 -23.131
226 HA SER 34 HA SER 34 -7.849 0.395 -24.696
227 HB2 SER 34 1HB SER 34 -5.304 1.831 -25.365
228 HB3 SER 34 2HB SER 34 -6.515 1.142 -26.447
229 HG SER 34 HG SER 34 -7.433 3.019 -26.490
230 H SER 35 H SER 35 -6.461 -1.365 -25.384
231 HA SER 35 HA SER 35 -4.918 -2.396 -23.168
232 HB2 SER 35 1HB SER 35 -6.530 -3.786 -24.528
233 HB3 SER 35 2HB SER 35 -5.379 -3.694 -25.861
234 HG SER 35 HG SER 35 -3.870 -4.486 -24.031
235 H GLY 36 H GLY 36 -4.333 -1.034 -26.322
236 HA2 GLY 36 1HA GLY 36 -2.363 -0.233 -27.222
237 HA3 GLY 36 2HA GLY 36 -1.547 -0.701 -25.738
238 H GLY 37 H GLY 37 0.072 -2.043 -26.149
239 HA2 GLY 37 1HA GLY 37 -0.079 -3.811 -28.472
240 HA3 GLY 37 2HA GLY 37 1.360 -3.460 -27.526
241 H GLY 38 H GLY 38 1.803 -4.654 -25.674
242 HA2 GLY 38 1HA GLY 38 -0.065 -6.634 -24.717
243 HA3 GLY 38 2HA GLY 38 1.280 -7.316 -25.620
244 H GLY 39 H GLY 39 0.388 -7.296 -22.682
245 HA2 GLY 39 1HA GLY 39 2.914 -7.538 -21.524
246 HA3 GLY 39 2HA GLY 39 2.350 -5.907 -21.195
247 H SER 40 H SER 40 0.357 -8.809 -21.412
248 HA SER 40 HA SER 40 -0.851 -8.221 -18.874
249 HB2 SER 40 1HB SER 40 -1.204 -10.573 -20.748
250 HB3 SER 40 2HB SER 40 -2.190 -10.271 -19.318
251 HG SER 40 HG SER 40 -3.170 -9.461 -21.220
252 H TYR 41 H TYR 41 -0.843 -9.535 -17.017
253 HA TYR 41 HA TYR 41 1.247 -11.588 -16.872
254 HB2 TYR 41 1HB TYR 41 1.874 -9.174 -15.985
255 HB3 TYR 41 2HB TYR 41 0.964 -9.701 -14.574
256 HD1 TYR 41 HD2 TYR 41 1.792 -11.494 -13.156
257 HD2 TYR 41 HD1 TYR 41 3.991 -10.213 -16.565
258 HE1 TYR 41 HE2 TYR 41 3.771 -12.693 -12.322
259 HE2 TYR 41 HE1 TYR 41 5.976 -11.410 -15.742
260 HH TYR 41 HH TYR 41 6.789 -12.776 -14.188
261 H HIS 42 H HIS 42 1.052 -12.972 -14.957
262 HA HIS 42 HA HIS 42 -1.763 -13.430 -14.325
263 HB2 HIS 42 1HB HIS 42 0.715 -15.121 -14.183
264 HB3 HIS 42 2HB HIS 42 -0.733 -15.583 -13.292
265 HD1 HIS 42 HD1 HIS 42 -0.910 -14.048 -16.715
266 HD2 HIS 42 HD2 HIS 42 -1.306 -17.766 -14.904
267 HE1 HIS 42 HE1 HIS 42 -1.857 -15.561 -18.487
268 H CYS 43 H CYS 43 -0.567 -11.212 -13.073
269 HA CYS 43 HA CYS 43 -0.362 -12.128 -10.279
270 HB2 CYS 43 1HB CYS 43 1.023 -9.972 -11.792
271 HB3 CYS 43 2HB CYS 43 0.634 -9.653 -10.105
272 H1 NAG 101 H1 NAG 100 5.494 19.473 -21.191
273 H2 NAG 101 HC2 NAG 100 7.248 19.825 -18.696
274 H3 NAG 101 HC3 NAG 100 6.247 21.867 -20.764
275 H4 NAG 101 HC4 NAG 100 9.068 20.710 -20.348
276 H5 NAG 101 H5 NAG 100 6.983 20.193 -22.543
277 H61 NAG 101 1H6 NAG 100 9.338 20.352 -23.397
278 H62 NAG 101 2H6 NAG 100 9.867 19.183 -22.178
279 H81 NAG 101 3H8 NAG 100 3.736 21.213 -16.440
280 H82 NAG 101 1H8 NAG 100 2.811 20.162 -17.564
281 H83 NAG 101 2H8 NAG 100 3.490 19.477 -16.050
282 HN2 NAG 101 H2 NAG 100 4.667 21.240 -19.066
283 HO3 NAG 101 H3 NAG 100 7.795 23.216 -19.643
284 HO4 NAG 101 H4 NAG 100 9.644 22.078 -21.952
285 HO6 NAG 101 HO6 NAG 100 8.005 17.800 -23.178
286 H1 NAG 102 H1 NAG 200 3.898 -11.263 -9.094
287 H2 NAG 102 HC2 NAG 200 3.094 -8.869 -7.350
288 H3 NAG 102 HC3 NAG 200 5.325 -10.956 -7.008
289 H4 NAG 102 HC4 NAG 200 2.680 -10.635 -5.471
290 H5 NAG 102 H5 NAG 200 3.556 -12.709 -7.560
291 H61 NAG 102 1H6 NAG 200 2.238 -13.680 -5.657
292 H62 NAG 102 2H6 NAG 200 0.988 -12.448 -5.884
293 H81 NAG 102 3H8 NAG 200 5.217 -6.633 -10.847
294 H82 NAG 102 1H8 NAG 200 5.819 -5.950 -9.299
295 H83 NAG 102 2H8 NAG 200 6.504 -7.486 -9.929
296 HN2 NAG 102 H2 NAG 200 5.796 -9.163 -8.538
297 HO3 NAG 102 H3 NAG 200 5.438 -9.957 -4.896
298 HO4 NAG 102 H4 NAG 200 3.409 -12.311 -4.272
299 HO6 NAG 102 HO6 NAG 200 1.041 -13.310 -8.258
Start of MODEL 14
1 H1 LYS 1 H LYS 1 2.124 -1.276 -2.900
2 HA LYS 1 HA LYS 1 2.258 -1.978 -5.731
3 HB2 LYS 1 1HB LYS 1 2.224 0.644 -4.247
4 HB3 LYS 1 2HB LYS 1 2.588 0.552 -5.965
5 HG2 LYS 1 1HG LYS 1 0.446 0.020 -6.535
6 HG3 LYS 1 2HG LYS 1 0.111 -0.764 -4.990
7 HD2 LYS 1 1HD LYS 1 0.475 2.211 -5.319
8 HD3 LYS 1 2HD LYS 1 -1.095 1.403 -5.355
9 HE2 LYS 1 1HE LYS 1 0.341 0.515 -3.058
10 HE3 LYS 1 2HE LYS 1 0.390 2.277 -3.105
11 HZ1 LYS 1 3HZ LYS 1 -1.578 1.979 -2.046
12 HZ2 LYS 1 1HZ LYS 1 -1.897 0.489 -2.780
13 HZ3 LYS 1 2HZ LYS 1 -2.153 1.925 -3.636
14 HA PRO 2 HA PRO 2 6.638 -2.030 -6.011
15 HB2 PRO 2 1HB PRO 2 7.046 -0.900 -8.445
16 HB3 PRO 2 2HB PRO 2 6.380 -2.524 -8.240
17 HG2 PRO 2 1HG PRO 2 4.956 0.054 -8.781
18 HG3 PRO 2 2HG PRO 2 4.685 -1.546 -9.497
19 HD2 PRO 2 1HD PRO 2 3.125 -0.551 -7.520
20 HD3 PRO 2 2HD PRO 2 3.461 -2.286 -7.690
21 H ALA 3 H ALA 3 8.441 -0.385 -7.084
22 HA ALA 3 HA ALA 3 8.305 1.944 -5.348
23 HB1 ALA 3 1HB ALA 3 10.320 0.446 -5.469
24 HB2 ALA 3 2HB ALA 3 10.613 1.095 -7.083
25 HB3 ALA 3 3HB ALA 3 10.644 2.167 -5.683
26 H TRP 4 H TRP 4 7.000 1.459 -8.173
27 HA TRP 4 HA TRP 4 7.960 3.936 -9.430
28 HB2 TRP 4 1HB TRP 4 6.042 2.258 -10.913
29 HB3 TRP 4 2HB TRP 4 7.533 3.023 -11.459
30 HD1 TRP 4 HD1 TRP 4 9.729 1.624 -9.852
31 HE1 TRP 4 HE1 TRP 4 10.188 -0.899 -10.082
32 HE3 TRP 4 HE3 TRP 4 5.202 0.140 -11.705
33 HZ2 TRP 4 HZ2 TRP 4 8.813 -3.211 -10.936
34 HZ3 TRP 4 HZ3 TRP 4 4.855 -2.244 -12.203
35 HH2 TRP 4 HH2 TRP 4 6.624 -3.883 -11.826
36 H CYS 5 H CYS 5 4.989 2.221 -8.518
37 HA CYS 5 HA CYS 5 3.367 4.563 -9.051
38 HB2 CYS 5 1HB CYS 5 2.458 2.026 -7.699
39 HB3 CYS 5 2HB CYS 5 1.485 3.192 -8.591
40 H TRP 6 H TRP 6 1.511 4.547 -7.065
41 HA TRP 6 HA TRP 6 2.780 4.668 -4.478
42 HB2 TRP 6 1HB TRP 6 2.995 6.938 -6.021
43 HB3 TRP 6 2HB TRP 6 1.548 7.261 -5.070
44 HD1 TRP 6 HD1 TRP 6 5.286 7.223 -4.837
45 HE1 TRP 6 HE1 TRP 6 6.016 7.848 -2.449
46 HE3 TRP 6 HE3 TRP 6 0.747 6.945 -2.500
47 HZ2 TRP 6 HZ2 TRP 6 4.826 8.180 0.089
48 HZ3 TRP 6 HZ3 TRP 6 0.629 7.431 -0.091
49 HH2 TRP 6 HH2 TRP 6 2.628 8.035 1.175
50 H TYR 7 H TYR 7 -0.036 5.646 -6.408
51 HA TYR 7 HA TYR 7 -1.838 4.154 -4.808
52 HB2 TYR 7 1HB TYR 7 -1.192 6.526 -3.618
53 HB3 TYR 7 2HB TYR 7 -2.613 6.982 -4.552
54 HD1 TYR 7 HD2 TYR 7 -1.600 4.033 -2.478
55 HD2 TYR 7 HD1 TYR 7 -4.559 6.970 -3.330
56 HE1 TYR 7 HE2 TYR 7 -3.047 3.072 -0.736
57 HE2 TYR 7 HE1 TYR 7 -6.014 6.018 -1.590
58 HH TYR 7 HH TYR 7 -4.982 3.211 0.333
59 H THR 8 H THR 8 -4.204 5.452 -5.267
60 HA THR 8 HA THR 8 -4.332 5.407 -8.201
61 HB THR 8 HB THR 8 -6.725 5.242 -6.385
62 HG1 THR 8 HG1 THR 8 -6.308 3.187 -5.975
63 HG21 THR 8 3HG2 THR 8 -6.857 3.593 -8.697
64 HG22 THR 8 1HG2 THR 8 -6.293 5.187 -9.196
65 HG23 THR 8 2HG2 THR 8 -7.812 5.025 -8.316
66 H LEU 9 H LEU 9 -3.540 7.746 -6.572
67 HA LEU 9 HA LEU 9 -5.692 9.605 -6.528
68 HB2 LEU 9 1HB LEU 9 -2.771 9.680 -6.112
69 HB3 LEU 9 2HB LEU 9 -3.522 11.195 -6.608
70 HG LEU 9 HG LEU 9 -4.907 9.879 -4.396
71 HD11 LEU 9 1HD1 LEU 9 -3.287 10.135 -2.723
72 HD12 LEU 9 2HD1 LEU 9 -2.198 11.020 -3.790
73 HD13 LEU 9 3HD1 LEU 9 -2.455 9.292 -4.030
74 HD21 LEU 9 3HD2 LEU 9 -3.790 12.628 -4.917
75 HD22 LEU 9 1HD2 LEU 9 -4.676 12.184 -3.459
76 HD23 LEU 9 2HD2 LEU 9 -5.472 12.110 -5.031
77 H ALA 10 H ALA 10 -3.395 8.600 -8.938
78 HA ALA 10 HA ALA 10 -3.204 9.061 -11.160
79 HB1 ALA 10 1HB ALA 10 -5.757 10.610 -11.125
80 HB2 ALA 10 2HB ALA 10 -5.116 9.526 -12.360
81 HB3 ALA 10 3HB ALA 10 -5.785 8.865 -10.868
82 H MET 11 H MET 11 -1.538 10.559 -10.004
83 HA MET 11 HA MET 11 -1.928 13.323 -9.859
84 HB2 MET 11 1HB MET 11 0.563 11.687 -10.331
85 HB3 MET 11 2HB MET 11 0.593 13.431 -10.111
86 HG2 MET 11 1HG MET 11 -0.193 13.261 -7.892
87 HG3 MET 11 2HG MET 11 -0.622 11.565 -8.099
88 HE1 MET 11 3HE MET 11 2.741 9.850 -8.548
89 HE2 MET 11 1HE MET 11 1.478 9.515 -7.363
90 HE3 MET 11 2HE MET 11 1.043 9.944 -9.017
91 H CYS 12 H CYS 12 0.017 11.689 -12.362
92 HA CYS 12 HA CYS 12 0.131 13.792 -14.148
93 HB2 CYS 12 1HB CYS 12 0.808 12.211 -15.805
94 HB3 CYS 12 2HB CYS 12 1.417 11.623 -14.261
95 H GLY 13 H GLY 13 -0.943 14.092 -16.226
96 HA2 GLY 13 1HA GLY 13 -2.787 13.884 -17.682
97 HA3 GLY 13 2HA GLY 13 -3.628 12.958 -16.448
98 H ALA 14 H ALA 14 -2.838 15.076 -14.435
99 HA ALA 14 HA ALA 14 -4.951 16.995 -15.160
100 HB1 ALA 14 1HB ALA 14 -5.217 17.342 -12.720
101 HB2 ALA 14 2HB ALA 14 -5.556 15.688 -13.233
102 HB3 ALA 14 3HB ALA 14 -4.025 16.071 -12.444
103 H GLY 15 H GLY 15 -2.031 17.109 -15.803
104 HA2 GLY 15 1HA GLY 15 -0.920 19.209 -16.181
105 HA3 GLY 15 2HA GLY 15 -1.558 19.775 -14.644
106 H TYR 16 H TYR 16 -0.810 17.032 -13.517
107 HA TYR 16 HA TYR 16 1.550 17.758 -12.251
108 HB2 TYR 16 1HB TYR 16 -0.033 15.287 -12.524
109 HB3 TYR 16 2HB TYR 16 1.664 15.037 -12.132
110 HD1 TYR 16 HD2 TYR 16 -1.475 16.606 -10.990
111 HD2 TYR 16 HD1 TYR 16 2.520 15.558 -9.968
112 HE1 TYR 16 HE2 TYR 16 -1.954 17.105 -8.630
113 HE2 TYR 16 HE1 TYR 16 2.051 16.053 -7.605
114 HH TYR 16 HH TYR 16 -1.196 16.925 -6.520
115 H ASP 17 H ASP 17 1.045 16.249 -15.339
116 HA ASP 17 HA ASP 17 3.961 16.192 -15.739
117 HB2 ASP 17 1HB ASP 17 1.952 14.157 -16.728
118 HB3 ASP 17 2HB ASP 17 3.648 14.205 -17.200
119 H SER 18 H SER 18 4.198 15.706 -18.336
120 HA SER 18 HA SER 18 3.134 18.114 -19.534
121 HB2 SER 18 1HB SER 18 5.530 17.228 -19.803
122 HB3 SER 18 2HB SER 18 4.842 16.055 -20.926
123 H GLY 19 H GLY 19 0.909 17.253 -19.344
124 HA2 GLY 19 1HA GLY 19 -0.149 15.155 -18.914
125 HA3 GLY 19 2HA GLY 19 -0.595 15.564 -20.564
126 H THR 20 H THR 20 1.788 13.795 -18.634
127 HA THR 20 HA THR 20 1.780 11.668 -20.611
128 HB THR 20 HB THR 20 3.607 13.259 -21.308
129 HG1 THR 20 HG1 THR 20 4.242 11.407 -22.106
130 HG21 THR 20 3HG2 THR 20 4.907 12.286 -18.760
131 HG22 THR 20 1HG2 THR 20 4.326 13.925 -19.051
132 HG23 THR 20 2HG2 THR 20 5.667 13.283 -20.001
133 H CYS 21 H CYS 21 2.128 9.689 -19.729
134 HA CYS 21 HA CYS 21 3.048 9.581 -16.935
135 HB2 CYS 21 1HB CYS 21 0.851 7.827 -18.034
136 HB3 CYS 21 2HB CYS 21 1.345 8.016 -16.355
137 H ASP 22 H ASP 22 3.088 6.935 -16.483
138 HA ASP 22 HA ASP 22 4.322 5.519 -18.677
139 HB2 ASP 22 1HB ASP 22 5.925 6.924 -16.703
140 HB3 ASP 22 2HB ASP 22 6.264 5.196 -16.704
141 H TYR 23 H TYR 23 4.744 5.220 -15.164
142 HA TYR 23 HA TYR 23 4.183 2.457 -15.146
143 HB2 TYR 23 1HB TYR 23 3.948 4.296 -12.765
144 HB3 TYR 23 2HB TYR 23 4.354 2.583 -12.772
145 HD1 TYR 23 HD2 TYR 23 6.483 2.171 -14.518
146 HD2 TYR 23 HD1 TYR 23 5.716 5.643 -12.181
147 HE1 TYR 23 HE2 TYR 23 8.876 2.735 -14.582
148 HE2 TYR 23 HE1 TYR 23 8.107 6.217 -12.240
149 HH TYR 23 HH TYR 23 10.441 4.190 -13.994
150 H MET 24 H MET 24 2.160 5.257 -14.962
151 HA MET 24 HA MET 24 -0.089 4.137 -13.697
152 HB2 MET 24 1HB MET 24 0.227 6.413 -15.645
153 HB3 MET 24 2HB MET 24 -1.337 5.966 -14.978
154 HG2 MET 24 1HG MET 24 -0.736 7.586 -13.507
155 HG3 MET 24 2HG MET 24 -0.053 6.179 -12.696
156 HE1 MET 24 3HE MET 24 2.483 6.874 -11.504
157 HE2 MET 24 1HE MET 24 2.137 5.503 -12.558
158 HE3 MET 24 2HE MET 24 3.590 6.469 -12.817
159 H TYR 25 H TYR 25 0.842 4.321 -17.110
160 HA TYR 25 HA TYR 25 -1.521 3.143 -18.128
161 HB2 TYR 25 1HB TYR 25 1.242 3.572 -19.224
162 HB3 TYR 25 2HB TYR 25 0.060 2.632 -20.128
163 HD1 TYR 25 HD1 TYR 25 -0.040 5.828 -18.178
164 HD2 TYR 25 HD2 TYR 25 -0.894 3.836 -21.840
165 HE1 TYR 25 HE1 TYR 25 -0.995 7.907 -19.080
166 HE2 TYR 25 HE2 TYR 25 -1.849 5.910 -22.752
167 HH TYR 25 HH TYR 25 -1.747 8.298 -22.395
168 H SER 26 H SER 26 0.980 1.841 -16.317
169 HA SER 26 HA SER 26 0.894 -0.809 -17.489
170 HB2 SER 26 1HB SER 26 2.972 0.232 -16.460
171 HB3 SER 26 2HB SER 26 2.210 -0.013 -14.889
172 HG SER 26 HG SER 26 2.076 -2.265 -15.450
173 H HIS 27 H HIS 27 -1.557 0.375 -16.381
174 HA HIS 27 HA HIS 27 -3.353 -0.204 -15.107
175 HB2 HIS 27 1HB HIS 27 -1.937 -2.800 -15.552
176 HB3 HIS 27 2HB HIS 27 -3.306 -2.758 -14.445
177 HD1 HIS 27 HD1 HIS 27 -3.531 -4.402 -16.988
178 HD2 HIS 27 HD2 HIS 27 -4.696 -0.423 -16.729
179 HE1 HIS 27 HE1 HIS 27 -5.204 -4.070 -18.836
180 H CYS 28 H CYS 28 -1.669 1.182 -13.623
181 HA CYS 28 HA CYS 28 -1.464 -0.300 -11.083
182 HB2 CYS 28 1HB CYS 28 0.624 0.798 -12.383
183 HB3 CYS 28 2HB CYS 28 0.108 2.190 -11.437
184 H PHE 29 H PHE 29 -2.884 2.320 -12.734
185 HA PHE 29 HA PHE 29 -3.863 3.435 -10.188
186 HB2 PHE 29 1HB PHE 29 -3.189 4.769 -12.795
187 HB3 PHE 29 2HB PHE 29 -4.321 5.514 -11.671
188 HD1 PHE 29 HD2 PHE 29 -1.032 3.772 -11.355
189 HD2 PHE 29 HD1 PHE 29 -3.381 7.205 -10.457
190 HE1 PHE 29 HE2 PHE 29 0.853 4.728 -10.097
191 HE2 PHE 29 HE1 PHE 29 -1.499 8.168 -9.198
192 HZ PHE 29 HZ PHE 29 0.621 6.928 -9.015
193 H GLY 30 H GLY 30 -4.670 2.081 -13.258
194 HA2 GLY 30 1HA GLY 30 -6.719 1.137 -13.853
195 HA3 GLY 30 2HA GLY 30 -7.458 1.928 -12.468
196 H VAL 31 H VAL 31 -5.511 3.721 -14.729
197 HA VAL 31 HA VAL 31 -7.918 5.185 -15.554
198 HB VAL 31 HB VAL 31 -6.401 6.981 -16.246
199 HG11 VAL 31 1HG1 VAL 31 -5.834 6.024 -13.442
200 HG12 VAL 31 2HG1 VAL 31 -5.670 7.677 -14.036
201 HG13 VAL 31 3HG1 VAL 31 -7.263 6.925 -13.947
202 HG21 VAL 31 3HG2 VAL 31 -4.349 6.307 -16.860
203 HG22 VAL 31 1HG2 VAL 31 -3.963 6.470 -15.147
204 HG23 VAL 31 2HG2 VAL 31 -4.391 4.892 -15.809
205 H LYS 32 H LYS 32 -5.165 3.398 -16.789
206 HA LYS 32 HA LYS 32 -5.397 4.036 -19.506
207 HB2 LYS 32 1HB LYS 32 -3.594 2.658 -18.171
208 HB3 LYS 32 2HB LYS 32 -4.586 1.287 -18.648
209 HG2 LYS 32 1HG LYS 32 -3.928 3.141 -20.823
210 HG3 LYS 32 2HG LYS 32 -2.548 2.301 -20.112
211 HD2 LYS 32 1HD LYS 32 -5.053 0.931 -21.083
212 HD3 LYS 32 2HD LYS 32 -3.584 1.111 -22.045
213 HE2 LYS 32 1HE LYS 32 -2.390 -0.021 -20.083
214 HE3 LYS 32 2HE LYS 32 -4.000 -0.474 -19.528
215 HZ1 LYS 32 3HZ LYS 32 -3.401 -1.051 -22.312
216 HZ2 LYS 32 1HZ LYS 32 -4.241 -1.974 -21.170
217 HZ3 LYS 32 2HZ LYS 32 -2.550 -1.966 -21.173
218 H HIS 33 H HIS 33 -6.544 3.167 -21.190
219 HA HIS 33 HA HIS 33 -8.411 0.986 -20.646
220 HB2 HIS 33 1HB HIS 33 -9.149 3.799 -21.241
221 HB3 HIS 33 2HB HIS 33 -10.065 2.549 -22.077
222 HD1 HIS 33 HD1 HIS 33 -10.519 0.480 -19.973
223 HD2 HIS 33 HD2 HIS 33 -10.694 4.550 -19.160
224 HE1 HIS 33 HE1 HIS 33 -11.922 0.691 -17.897
225 H SER 34 H SER 34 -6.686 0.009 -22.009
226 HA SER 34 HA SER 34 -5.919 -0.818 -23.986
227 HB2 SER 34 1HB SER 34 -7.539 -1.433 -25.529
228 HB3 SER 34 2HB SER 34 -8.527 -1.144 -24.097
229 HG SER 34 HG SER 34 -8.773 -0.005 -26.438
230 H SER 35 H SER 35 -5.428 2.000 -23.345
231 HA SER 35 HA SER 35 -5.412 3.300 -25.957
232 HB2 SER 35 1HB SER 35 -6.046 4.497 -23.791
233 HB3 SER 35 2HB SER 35 -4.333 4.437 -23.377
234 HG SER 35 HG SER 35 -4.788 6.380 -24.414
235 H GLY 36 H GLY 36 -3.886 1.796 -26.897
236 HA2 GLY 36 1HA GLY 36 -1.372 2.680 -27.296
237 HA3 GLY 36 2HA GLY 36 -1.193 1.723 -25.833
238 H GLY 37 H GLY 37 -0.326 -0.182 -26.299
239 HA2 GLY 37 1HA GLY 37 -1.542 -1.787 -28.423
240 HA3 GLY 37 2HA GLY 37 0.183 -1.472 -28.534
241 H GLY 38 H GLY 38 1.544 -2.809 -27.510
242 HA2 GLY 38 1HA GLY 38 0.487 -5.122 -26.190
243 HA3 GLY 38 2HA GLY 38 2.187 -4.743 -26.428
244 H GLY 39 H GLY 39 1.542 -5.887 -24.099
245 HA2 GLY 39 1HA GLY 39 2.233 -5.483 -21.897
246 HA3 GLY 39 2HA GLY 39 2.132 -3.756 -22.206
247 H SER 40 H SER 40 -0.455 -6.017 -22.909
248 HA SER 40 HA SER 40 -2.142 -4.579 -20.996
249 HB2 SER 40 1HB SER 40 -3.320 -4.573 -22.972
250 HB3 SER 40 2HB SER 40 -2.648 -6.115 -23.502
251 HG SER 40 HG SER 40 -4.060 -7.183 -22.186
252 H TYR 41 H TYR 41 -2.433 -5.446 -19.063
253 HA TYR 41 HA TYR 41 -1.779 -8.186 -18.516
254 HB2 TYR 41 1HB TYR 41 -1.602 -6.034 -16.990
255 HB3 TYR 41 2HB TYR 41 -3.244 -6.484 -16.544
256 HD1 TYR 41 HD1 TYR 41 0.288 -7.463 -16.400
257 HD2 TYR 41 HD2 TYR 41 -3.679 -8.483 -15.250
258 HE1 TYR 41 HE1 TYR 41 1.181 -9.097 -14.793
259 HE2 TYR 41 HE2 TYR 41 -2.798 -10.119 -13.639
260 HH TYR 41 HH TYR 41 -0.386 -10.293 -12.325
261 H HIS 42 H HIS 42 -3.261 -9.669 -17.408
262 HA HIS 42 HA HIS 42 -5.885 -9.619 -18.693
263 HB2 HIS 42 1HB HIS 42 -4.155 -11.631 -18.583
264 HB3 HIS 42 2HB HIS 42 -4.968 -11.934 -17.050
265 HD1 HIS 42 HD1 HIS 42 -5.399 -12.222 -20.711
266 HD2 HIS 42 HD2 HIS 42 -7.720 -12.639 -17.291
267 HE1 HIS 42 HE1 HIS 42 -7.483 -13.418 -21.454
268 H CYS 43 H CYS 43 -5.469 -7.818 -16.543
269 HA CYS 43 HA CYS 43 -6.759 -8.980 -14.217
270 HB2 CYS 43 1HB CYS 43 -4.885 -7.219 -14.170
271 HB3 CYS 43 2HB CYS 43 -6.134 -6.061 -14.615
272 H1 NAG 101 H1 NAG 100 4.495 19.500 -22.282
273 H2 NAG 101 HC2 NAG 100 6.887 20.022 -20.430
274 H3 NAG 101 HC3 NAG 100 5.158 21.951 -22.087
275 H4 NAG 101 HC4 NAG 100 8.052 21.013 -22.548
276 H5 NAG 101 H5 NAG 100 5.448 20.307 -24.016
277 H61 NAG 101 1H6 NAG 100 7.417 20.626 -25.539
278 H62 NAG 101 2H6 NAG 100 8.376 19.520 -24.545
279 H81 NAG 101 3H8 NAG 100 4.012 21.226 -17.326
280 H82 NAG 101 1H8 NAG 100 2.996 19.889 -17.962
281 H83 NAG 101 2H8 NAG 100 4.239 19.555 -16.710
282 HN2 NAG 101 H2 NAG 100 4.216 21.236 -19.995
283 HO3 NAG 101 H3 NAG 100 6.865 23.429 -21.475
284 HO4 NAG 101 H4 NAG 100 8.014 22.393 -24.242
285 HO6 NAG 101 HO6 NAG 100 6.410 17.987 -24.946
286 H1 NAG 102 H1 NAG 200 -7.684 -6.786 -10.828
287 H2 NAG 102 HC2 NAG 200 -6.731 -4.240 -9.401
288 H3 NAG 102 HC3 NAG 200 -9.266 -5.938 -9.021
289 H4 NAG 102 HC4 NAG 200 -8.934 -3.157 -10.296
290 H5 NAG 102 H5 NAG 200 -9.484 -5.900 -11.563
291 H61 NAG 102 1H6 NAG 200 -10.791 -4.024 -12.598
292 H62 NAG 102 2H6 NAG 200 -9.305 -3.080 -12.781
293 H81 NAG 102 3H8 NAG 200 -5.623 -7.452 -6.526
294 H82 NAG 102 1H8 NAG 200 -4.139 -7.630 -7.520
295 H83 NAG 102 2H8 NAG 200 -4.248 -6.319 -6.298
296 HN2 NAG 102 H2 NAG 200 -7.276 -6.782 -7.972
297 HO3 NAG 102 H3 NAG 200 -9.868 -4.091 -7.717
298 HO4 NAG 102 H4 NAG 200 -11.109 -3.214 -10.499
299 HO6 NAG 102 HO6 NAG 200 -8.515 -5.173 -13.952
Start of MODEL 15
1 H1 LYS 1 H LYS 1 2.432 -1.253 -2.825
2 HA LYS 1 HA LYS 1 2.280 -2.027 -5.665
3 HB2 LYS 1 1HB LYS 1 1.870 0.563 -4.293
4 HB3 LYS 1 2HB LYS 1 2.787 0.626 -5.793
5 HG2 LYS 1 1HG LYS 1 1.001 0.057 -7.076
6 HG3 LYS 1 2HG LYS 1 0.253 -0.911 -5.803
7 HD2 LYS 1 1HD LYS 1 0.047 1.477 -4.650
8 HD3 LYS 1 2HD LYS 1 0.075 2.006 -6.334
9 HE2 LYS 1 1HE LYS 1 -1.959 1.130 -6.778
10 HE3 LYS 1 2HE LYS 1 -1.700 -0.269 -5.737
11 HZ1 LYS 1 3HZ LYS 1 -1.840 1.837 -4.010
12 HZ2 LYS 1 1HZ LYS 1 -3.077 0.728 -4.328
13 HZ3 LYS 1 2HZ LYS 1 -3.023 2.198 -5.163
14 HA PRO 2 HA PRO 2 6.657 -2.005 -5.957
15 HB2 PRO 2 1HB PRO 2 7.079 -0.874 -8.389
16 HB3 PRO 2 2HB PRO 2 6.419 -2.502 -8.187
17 HG2 PRO 2 1HG PRO 2 4.987 0.068 -8.741
18 HG3 PRO 2 2HG PRO 2 4.729 -1.533 -9.458
19 HD2 PRO 2 1HD PRO 2 3.149 -0.546 -7.494
20 HD3 PRO 2 2HD PRO 2 3.496 -2.279 -7.660
21 H ALA 3 H ALA 3 8.460 -0.352 -7.017
22 HA ALA 3 HA ALA 3 8.304 1.975 -5.280
23 HB1 ALA 3 1HB ALA 3 10.590 2.069 -5.363
24 HB2 ALA 3 2HB ALA 3 10.335 0.349 -5.658
25 HB3 ALA 3 3HB ALA 3 10.668 1.434 -7.007
26 H TRP 4 H TRP 4 7.056 1.457 -8.148
27 HA TRP 4 HA TRP 4 7.982 3.958 -9.379
28 HB2 TRP 4 1HB TRP 4 6.094 2.273 -10.887
29 HB3 TRP 4 2HB TRP 4 7.591 3.040 -11.411
30 HD1 TRP 4 HD1 TRP 4 9.773 1.642 -9.795
31 HE1 TRP 4 HE1 TRP 4 10.234 -0.880 -10.014
32 HE3 TRP 4 HE3 TRP 4 5.256 0.151 -11.667
33 HZ2 TRP 4 HZ2 TRP 4 8.864 -3.196 -10.869
34 HZ3 TRP 4 HZ3 TRP 4 4.912 -2.235 -12.159
35 HH2 TRP 4 HH2 TRP 4 6.681 -3.872 -11.768
36 H CYS 5 H CYS 5 5.023 2.210 -8.491
37 HA CYS 5 HA CYS 5 3.406 4.575 -8.991
38 HB2 CYS 5 1HB CYS 5 2.465 1.957 -7.824
39 HB3 CYS 5 2HB CYS 5 1.508 3.181 -8.652
40 H TRP 6 H TRP 6 1.489 4.452 -7.069
41 HA TRP 6 HA TRP 6 2.685 4.430 -4.442
42 HB2 TRP 6 1HB TRP 6 2.969 6.770 -5.821
43 HB3 TRP 6 2HB TRP 6 1.445 7.046 -4.983
44 HD1 TRP 6 HD1 TRP 6 5.150 7.019 -4.439
45 HE1 TRP 6 HE1 TRP 6 5.673 7.545 -1.974
46 HE3 TRP 6 HE3 TRP 6 0.435 6.611 -2.504
47 HZ2 TRP 6 HZ2 TRP 6 4.272 7.758 0.467
48 HZ3 TRP 6 HZ3 TRP 6 0.113 6.991 -0.094
49 HH2 TRP 6 HH2 TRP 6 1.993 7.551 1.359
50 H TYR 7 H TYR 7 -0.090 5.588 -6.346
51 HA TYR 7 HA TYR 7 -1.931 3.952 -4.935
52 HB2 TYR 7 1HB TYR 7 -1.303 6.189 -3.507
53 HB3 TYR 7 2HB TYR 7 -2.689 6.755 -4.432
54 HD1 TYR 7 HD2 TYR 7 -1.821 3.546 -2.709
55 HD2 TYR 7 HD1 TYR 7 -4.626 6.709 -3.191
56 HE1 TYR 7 HE2 TYR 7 -3.329 2.443 -1.111
57 HE2 TYR 7 HE1 TYR 7 -6.142 5.615 -1.593
58 HH TYR 7 HH TYR 7 -6.156 4.015 0.133
59 H THR 8 H THR 8 -4.285 5.269 -5.324
60 HA THR 8 HA THR 8 -4.396 5.395 -8.243
61 HB THR 8 HB THR 8 -6.799 5.430 -6.437
62 HG1 THR 8 HG1 THR 8 -6.154 3.527 -5.760
63 HG21 THR 8 3HG2 THR 8 -6.341 5.327 -9.252
64 HG22 THR 8 1HG2 THR 8 -7.876 5.356 -8.385
65 HG23 THR 8 2HG2 THR 8 -7.097 3.816 -8.746
66 H LEU 9 H LEU 9 -3.469 7.616 -6.421
67 HA LEU 9 HA LEU 9 -5.363 9.668 -6.299
68 HB2 LEU 9 1HB LEU 9 -2.369 9.646 -6.439
69 HB3 LEU 9 2HB LEU 9 -3.267 11.162 -6.404
70 HG LEU 9 HG LEU 9 -3.290 9.033 -4.265
71 HD11 LEU 9 1HD1 LEU 9 -2.062 11.785 -4.333
72 HD12 LEU 9 2HD1 LEU 9 -1.195 10.250 -4.327
73 HD13 LEU 9 3HD1 LEU 9 -2.141 10.733 -2.919
74 HD21 LEU 9 3HD2 LEU 9 -5.431 10.075 -4.306
75 HD22 LEU 9 1HD2 LEU 9 -4.716 11.676 -4.493
76 HD23 LEU 9 2HD2 LEU 9 -4.523 10.796 -2.977
77 H ALA 10 H ALA 10 -3.197 8.673 -8.891
78 HA ALA 10 HA ALA 10 -3.166 9.153 -11.116
79 HB1 ALA 10 1HB ALA 10 -5.160 9.528 -12.192
80 HB2 ALA 10 2HB ALA 10 -5.728 8.879 -10.653
81 HB3 ALA 10 3HB ALA 10 -5.757 10.619 -10.941
82 H MET 11 H MET 11 -1.480 10.691 -10.075
83 HA MET 11 HA MET 11 -2.030 13.465 -9.961
84 HB2 MET 11 1HB MET 11 0.545 11.918 -10.242
85 HB3 MET 11 2HB MET 11 0.495 13.670 -10.105
86 HG2 MET 11 1HG MET 11 -0.479 13.536 -7.924
87 HG3 MET 11 2HG MET 11 -0.664 11.790 -8.067
88 HE1 MET 11 3HE MET 11 0.955 10.208 -8.275
89 HE2 MET 11 1HE MET 11 2.692 10.329 -7.996
90 HE3 MET 11 2HE MET 11 1.584 10.242 -6.627
91 H CYS 12 H CYS 12 0.036 11.761 -12.320
92 HA CYS 12 HA CYS 12 0.215 13.788 -14.183
93 HB2 CYS 12 1HB CYS 12 0.956 12.151 -15.744
94 HB3 CYS 12 2HB CYS 12 1.479 11.592 -14.158
95 H GLY 13 H GLY 13 -0.832 14.148 -16.214
96 HA2 GLY 13 1HA GLY 13 -2.613 13.920 -17.746
97 HA3 GLY 13 2HA GLY 13 -3.471 12.938 -16.568
98 H ALA 14 H ALA 14 -2.866 14.979 -14.450
99 HA ALA 14 HA ALA 14 -5.026 16.835 -15.181
100 HB1 ALA 14 1HB ALA 14 -5.529 15.481 -13.248
101 HB2 ALA 14 2HB ALA 14 -4.027 15.978 -12.469
102 HB3 ALA 14 3HB ALA 14 -5.307 17.158 -12.748
103 H GLY 15 H GLY 15 -2.083 17.067 -15.800
104 HA2 GLY 15 1HA GLY 15 -1.088 19.227 -16.202
105 HA3 GLY 15 2HA GLY 15 -1.754 19.768 -14.668
106 H TYR 16 H TYR 16 -0.857 17.028 -13.581
107 HA TYR 16 HA TYR 16 1.477 17.900 -12.320
108 HB2 TYR 16 1HB TYR 16 -0.005 15.354 -12.527
109 HB3 TYR 16 2HB TYR 16 1.696 15.203 -12.104
110 HD1 TYR 16 HD2 TYR 16 -1.523 16.694 -11.067
111 HD2 TYR 16 HD1 TYR 16 2.480 15.794 -9.940
112 HE1 TYR 16 HE2 TYR 16 -2.063 17.246 -8.732
113 HE2 TYR 16 HE1 TYR 16 1.951 16.343 -7.601
114 HH TYR 16 HH TYR 16 0.344 17.619 -6.328
115 H ASP 17 H ASP 17 0.998 16.113 -15.293
116 HA ASP 17 HA ASP 17 3.915 16.129 -15.715
117 HB2 ASP 17 1HB ASP 17 1.862 14.157 -16.735
118 HB3 ASP 17 2HB ASP 17 3.552 14.179 -17.229
119 H SER 18 H SER 18 4.153 15.669 -18.323
120 HA SER 18 HA SER 18 3.147 18.123 -19.489
121 HB2 SER 18 1HB SER 18 5.312 16.204 -20.080
122 HB3 SER 18 2HB SER 18 4.556 16.938 -21.494
123 H GLY 19 H GLY 19 0.915 17.234 -19.308
124 HA2 GLY 19 1HA GLY 19 -0.141 15.127 -18.936
125 HA3 GLY 19 2HA GLY 19 -0.567 15.559 -20.585
126 H THR 20 H THR 20 1.767 13.752 -18.638
127 HA THR 20 HA THR 20 1.799 11.651 -20.630
128 HB THR 20 HB THR 20 3.572 12.969 -21.543
129 HG1 THR 20 HG1 THR 20 5.025 11.124 -19.985
130 HG21 THR 20 3HG2 THR 20 4.488 13.199 -18.692
131 HG22 THR 20 1HG2 THR 20 4.168 14.483 -19.856
132 HG23 THR 20 2HG2 THR 20 5.596 13.464 -20.038
133 H CYS 21 H CYS 21 2.147 9.679 -19.746
134 HA CYS 21 HA CYS 21 3.133 9.567 -16.976
135 HB2 CYS 21 1HB CYS 21 0.883 7.839 -18.004
136 HB3 CYS 21 2HB CYS 21 1.427 8.029 -16.341
137 H ASP 22 H ASP 22 3.131 6.911 -16.529
138 HA ASP 22 HA ASP 22 4.296 5.484 -18.752
139 HB2 ASP 22 1HB ASP 22 5.964 6.857 -16.809
140 HB3 ASP 22 2HB ASP 22 6.272 5.122 -16.817
141 H TYR 23 H TYR 23 4.787 5.163 -15.250
142 HA TYR 23 HA TYR 23 4.175 2.410 -15.233
143 HB2 TYR 23 1HB TYR 23 4.018 4.221 -12.828
144 HB3 TYR 23 2HB TYR 23 4.430 2.510 -12.875
145 HD1 TYR 23 HD2 TYR 23 6.506 2.149 -14.707
146 HD2 TYR 23 HD1 TYR 23 5.803 5.547 -12.246
147 HE1 TYR 23 HE2 TYR 23 8.895 2.722 -14.827
148 HE2 TYR 23 HE1 TYR 23 8.189 6.131 -12.360
149 HH TYR 23 HH TYR 23 10.241 5.384 -12.947
150 H MET 24 H MET 24 2.213 5.249 -14.980
151 HA MET 24 HA MET 24 -0.026 4.163 -13.668
152 HB2 MET 24 1HB MET 24 0.284 6.450 -15.606
153 HB3 MET 24 2HB MET 24 -1.268 6.030 -14.893
154 HG2 MET 24 1HG MET 24 -0.587 7.625 -13.429
155 HG3 MET 24 2HG MET 24 0.092 6.197 -12.651
156 HE1 MET 24 3HE MET 24 2.471 5.504 -12.649
157 HE2 MET 24 1HE MET 24 3.737 6.728 -12.544
158 HE3 MET 24 2HE MET 24 2.362 6.786 -11.442
159 H TYR 25 H TYR 25 0.819 4.370 -17.104
160 HA TYR 25 HA TYR 25 -1.591 3.242 -18.068
161 HB2 TYR 25 1HB TYR 25 1.145 3.647 -19.238
162 HB3 TYR 25 2HB TYR 25 -0.076 2.735 -20.120
163 HD1 TYR 25 HD1 TYR 25 -0.077 5.905 -18.127
164 HD2 TYR 25 HD2 TYR 25 -1.056 3.975 -21.790
165 HE1 TYR 25 HE1 TYR 25 -1.028 8.009 -18.976
166 HE2 TYR 25 HE2 TYR 25 -2.008 6.074 -22.649
167 HH TYR 25 HH TYR 25 -1.460 8.785 -21.897
168 H SER 26 H SER 26 0.938 1.880 -16.346
169 HA SER 26 HA SER 26 0.781 -0.752 -17.551
170 HB2 SER 26 1HB SER 26 2.878 0.328 -16.490
171 HB3 SER 26 2HB SER 26 2.152 -0.118 -14.946
172 HG SER 26 HG SER 26 2.094 -2.292 -15.727
173 H HIS 27 H HIS 27 -1.637 0.412 -16.404
174 HA HIS 27 HA HIS 27 -3.409 -0.160 -15.095
175 HB2 HIS 27 1HB HIS 27 -2.919 -2.327 -16.364
176 HB3 HIS 27 2HB HIS 27 -2.158 -2.895 -14.882
177 HD1 HIS 27 HD1 HIS 27 -4.211 -4.715 -15.271
178 HD2 HIS 27 HD2 HIS 27 -5.207 -0.919 -13.908
179 HE1 HIS 27 HE1 HIS 27 -6.502 -4.944 -14.260
180 H CYS 28 H CYS 28 -1.660 1.213 -13.649
181 HA CYS 28 HA CYS 28 -1.441 -0.261 -11.106
182 HB2 CYS 28 1HB CYS 28 0.647 0.783 -12.436
183 HB3 CYS 28 2HB CYS 28 0.165 2.203 -11.515
184 H PHE 29 H PHE 29 -2.825 2.393 -12.744
185 HA PHE 29 HA PHE 29 -3.765 3.514 -10.185
186 HB2 PHE 29 1HB PHE 29 -3.058 4.850 -12.781
187 HB3 PHE 29 2HB PHE 29 -4.184 5.612 -11.662
188 HD1 PHE 29 HD2 PHE 29 -0.934 3.801 -11.326
189 HD2 PHE 29 HD1 PHE 29 -3.217 7.281 -10.436
190 HE1 PHE 29 HE2 PHE 29 0.961 4.713 -10.050
191 HE2 PHE 29 HE1 PHE 29 -1.325 8.200 -9.160
192 HZ PHE 29 HZ PHE 29 0.768 6.916 -8.966
193 H GLY 30 H GLY 30 -4.614 2.268 -13.305
194 HA2 GLY 30 1HA GLY 30 -6.730 1.278 -13.731
195 HA3 GLY 30 2HA GLY 30 -7.436 2.326 -12.511
196 H VAL 31 H VAL 31 -5.277 3.783 -14.752
197 HA VAL 31 HA VAL 31 -7.517 5.234 -15.940
198 HB VAL 31 HB VAL 31 -5.856 6.807 -16.775
199 HG11 VAL 31 1HG1 VAL 31 -5.559 6.077 -13.867
200 HG12 VAL 31 2HG1 VAL 31 -4.931 7.566 -14.575
201 HG13 VAL 31 3HG1 VAL 31 -6.667 7.252 -14.575
202 HG21 VAL 31 3HG2 VAL 31 -3.963 5.594 -17.330
203 HG22 VAL 31 1HG2 VAL 31 -3.454 6.429 -15.862
204 HG23 VAL 31 2HG2 VAL 31 -3.936 4.734 -15.790
205 H LYS 32 H LYS 32 -4.921 3.047 -16.794
206 HA LYS 32 HA LYS 32 -4.924 3.320 -19.565
207 HB2 LYS 32 1HB LYS 32 -3.195 2.022 -18.640
208 HB3 LYS 32 2HB LYS 32 -4.318 1.006 -17.744
209 HG2 LYS 32 1HG LYS 32 -3.327 -0.188 -19.621
210 HG3 LYS 32 2HG LYS 32 -5.073 -0.019 -19.814
211 HD2 LYS 32 1HD LYS 32 -4.037 0.434 -21.927
212 HD3 LYS 32 2HD LYS 32 -4.652 1.956 -21.277
213 HE2 LYS 32 1HE LYS 32 -2.546 2.771 -20.834
214 HE3 LYS 32 2HE LYS 32 -1.835 1.163 -20.702
215 HZ1 LYS 32 3HZ LYS 32 -2.425 2.738 -23.111
216 HZ2 LYS 32 1HZ LYS 32 -2.421 1.050 -23.213
217 HZ3 LYS 32 2HZ LYS 32 -1.029 1.870 -22.712
218 H HIS 33 H HIS 33 -6.463 3.004 -21.020
219 HA HIS 33 HA HIS 33 -8.970 1.839 -20.358
220 HB2 HIS 33 1HB HIS 33 -7.747 2.798 -22.938
221 HB3 HIS 33 2HB HIS 33 -9.340 2.049 -22.894
222 HD1 HIS 33 HD1 HIS 33 -7.928 4.572 -20.438
223 HD2 HIS 33 HD2 HIS 33 -10.953 4.211 -23.262
224 HE1 HIS 33 HE1 HIS 33 -9.300 6.668 -20.224
225 H SER 34 H SER 34 -6.494 0.833 -22.725
226 HA SER 34 HA SER 34 -5.993 -1.196 -23.628
227 HB2 SER 34 1HB SER 34 -5.359 -1.606 -21.247
228 HB3 SER 34 2HB SER 34 -6.966 -2.277 -20.974
229 HG SER 34 HG SER 34 -6.080 -4.073 -21.608
230 H SER 35 H SER 35 -8.686 -0.135 -24.010
231 HA SER 35 HA SER 35 -10.681 -2.072 -23.796
232 HB2 SER 35 1HB SER 35 -10.530 -0.148 -26.109
233 HB3 SER 35 2HB SER 35 -11.959 -0.743 -25.265
234 HG SER 35 HG SER 35 -10.593 1.463 -24.778
235 H GLY 36 H GLY 36 -8.072 -1.733 -26.077
236 HA2 GLY 36 1HA GLY 36 -7.311 -3.768 -27.182
237 HA3 GLY 36 2HA GLY 36 -8.999 -4.205 -27.399
238 H GLY 37 H GLY 37 -7.025 -1.314 -28.105
239 HA2 GLY 37 1HA GLY 37 -6.970 -1.548 -30.864
240 HA3 GLY 37 2HA GLY 37 -8.473 -0.721 -30.482
241 H GLY 38 H GLY 38 -7.828 0.930 -28.446
242 HA2 GLY 38 1HA GLY 38 -6.032 2.812 -29.788
243 HA3 GLY 38 2HA GLY 38 -7.183 3.203 -28.519
244 H GLY 39 H GLY 39 -4.514 4.094 -28.540
245 HA2 GLY 39 1HA GLY 39 -3.163 4.440 -26.606
246 HA3 GLY 39 2HA GLY 39 -3.585 2.823 -26.061
247 H SER 40 H SER 40 -3.071 1.824 -28.870
248 HA SER 40 HA SER 40 -0.127 1.905 -28.782
249 HB2 SER 40 1HB SER 40 -1.840 -0.509 -29.420
250 HB3 SER 40 2HB SER 40 -0.077 -0.462 -29.402
251 HG SER 40 HG SER 40 -0.117 -0.667 -27.314
252 H TYR 41 H TYR 41 -0.230 3.547 -30.405
253 HA TYR 41 HA TYR 41 -1.092 2.590 -33.052
254 HB2 TYR 41 1HB TYR 41 -1.951 4.820 -31.915
255 HB3 TYR 41 2HB TYR 41 -0.438 5.461 -32.545
256 HD1 TYR 41 HD2 TYR 41 -0.077 5.674 -34.941
257 HD2 TYR 41 HD1 TYR 41 -3.738 4.136 -33.411
258 HE1 TYR 41 HE2 TYR 41 -1.123 5.986 -37.145
259 HE2 TYR 41 HE1 TYR 41 -4.793 4.443 -35.612
260 HH TYR 41 HH TYR 41 -4.054 6.257 -37.768
261 H HIS 42 H HIS 42 0.243 3.242 -34.896
262 HA HIS 42 HA HIS 42 3.078 2.977 -34.239
263 HB2 HIS 42 1HB HIS 42 1.682 1.601 -36.028
264 HB3 HIS 42 2HB HIS 42 2.090 2.971 -37.056
265 HD1 HIS 42 HD1 HIS 42 3.771 1.847 -38.555
266 HD2 HIS 42 HD2 HIS 42 4.624 1.342 -34.520
267 HE1 HIS 42 HE1 HIS 42 6.058 0.806 -38.476
268 H CYS 43 H CYS 43 1.862 5.490 -33.733
269 HA CYS 43 HA CYS 43 3.472 7.155 -35.525
270 HB2 CYS 43 1HB CYS 43 1.219 7.331 -36.411
271 HB3 CYS 43 2HB CYS 43 0.582 7.686 -34.809
272 H1 NAG 101 H1 NAG 100 5.174 19.907 -21.260
273 H2 NAG 101 HC2 NAG 100 7.291 19.947 -19.038
274 H3 NAG 101 HC3 NAG 100 6.040 22.229 -20.675
275 H4 NAG 101 HC4 NAG 100 8.862 21.013 -20.833
276 H5 NAG 101 H5 NAG 100 6.458 20.776 -22.730
277 H61 NAG 101 1H6 NAG 100 8.661 21.021 -23.909
278 H62 NAG 101 2H6 NAG 100 9.339 19.712 -22.930
279 H81 NAG 101 3H8 NAG 100 4.026 21.183 -16.358
280 H82 NAG 101 1H8 NAG 100 3.076 19.876 -17.141
281 H83 NAG 101 2H8 NAG 100 4.145 19.497 -15.749
282 HN2 NAG 101 H2 NAG 100 4.719 21.412 -18.841
283 HO3 NAG 101 H3 NAG 100 7.772 23.424 -19.653
284 HO4 NAG 101 H4 NAG 100 9.224 22.559 -22.334
285 HO6 NAG 101 HO6 NAG 100 7.315 18.470 -23.790
286 H1 NAG 102 H1 NAG 200 0.487 10.713 -36.956
287 H2 NAG 102 HC2 NAG 200 2.366 13.092 -37.435
288 H3 NAG 102 HC3 NAG 200 -0.269 12.293 -38.803
289 H4 NAG 102 HC4 NAG 200 2.618 12.145 -39.857
290 H5 NAG 102 H5 NAG 200 0.695 9.935 -38.934
291 H61 NAG 102 1H6 NAG 200 2.035 9.330 -40.969
292 H62 NAG 102 2H6 NAG 200 3.522 9.817 -40.143
293 H81 NAG 102 3H8 NAG 200 -0.518 15.460 -35.100
294 H82 NAG 102 1H8 NAG 200 -0.505 14.082 -33.949
295 H83 NAG 102 2H8 NAG 200 0.738 15.372 -33.819
296 HN2 NAG 102 H2 NAG 200 -0.487 13.415 -36.689
297 HO3 NAG 102 H3 NAG 200 0.411 13.974 -40.281
298 HO4 NAG 102 H4 NAG 200 1.690 11.450 -41.709
299 HO6 NAG 102 HO6 NAG 200 2.674 8.217 -38.383
Start of MODEL 16
1 H1 LYS 1 H LYS 1 2.089 -2.737 -3.970
2 HA LYS 1 HA LYS 1 1.854 -2.140 -6.652
3 HB2 LYS 1 1HB LYS 1 2.126 0.338 -6.657
4 HB3 LYS 1 2HB LYS 1 0.547 -0.198 -6.096
5 HG2 LYS 1 1HG LYS 1 1.737 -0.031 -3.737
6 HG3 LYS 1 2HG LYS 1 2.743 1.128 -4.611
7 HD2 LYS 1 1HD LYS 1 1.043 2.462 -3.762
8 HD3 LYS 1 2HD LYS 1 0.487 2.122 -5.403
9 HE2 LYS 1 1HE LYS 1 -0.486 0.021 -3.844
10 HE3 LYS 1 2HE LYS 1 -0.734 1.469 -2.870
11 HZ1 LYS 1 3HZ LYS 1 -1.468 1.889 -5.592
12 HZ2 LYS 1 1HZ LYS 1 -2.381 2.118 -4.185
13 HZ3 LYS 1 2HZ LYS 1 -2.324 0.595 -4.919
14 HA PRO 2 HA PRO 2 6.227 -2.304 -6.304
15 HB2 PRO 2 1HB PRO 2 6.992 -0.965 -8.538
16 HB3 PRO 2 2HB PRO 2 6.282 -2.584 -8.584
17 HG2 PRO 2 1HG PRO 2 4.983 0.069 -9.072
18 HG3 PRO 2 2HG PRO 2 4.796 -1.450 -9.968
19 HD2 PRO 2 1HD PRO 2 2.984 -0.602 -8.143
20 HD3 PRO 2 2HD PRO 2 3.318 -2.322 -8.428
21 H ALA 3 H ALA 3 8.199 -0.649 -6.893
22 HA ALA 3 HA ALA 3 7.818 1.547 -5.021
23 HB1 ALA 3 1HB ALA 3 10.408 0.907 -6.382
24 HB2 ALA 3 2HB ALA 3 10.129 1.620 -4.793
25 HB3 ALA 3 3HB ALA 3 9.809 -0.094 -5.059
26 H TRP 4 H TRP 4 7.000 1.335 -8.047
27 HA TRP 4 HA TRP 4 8.286 3.799 -8.980
28 HB2 TRP 4 1HB TRP 4 6.385 2.348 -10.736
29 HB3 TRP 4 2HB TRP 4 7.930 3.100 -11.123
30 HD1 TRP 4 HD1 TRP 4 9.903 1.497 -9.332
31 HE1 TRP 4 HE1 TRP 4 10.335 -1.005 -9.754
32 HE3 TRP 4 HE3 TRP 4 5.639 0.359 -11.914
33 HZ2 TRP 4 HZ2 TRP 4 9.041 -3.174 -11.014
34 HZ3 TRP 4 HZ3 TRP 4 5.313 -1.952 -12.693
35 HH2 TRP 4 HH2 TRP 4 6.980 -3.680 -12.251
36 H CYS 5 H CYS 5 5.111 2.381 -8.350
37 HA CYS 5 HA CYS 5 3.756 4.865 -8.991
38 HB2 CYS 5 1HB CYS 5 2.501 2.440 -7.717
39 HB3 CYS 5 2HB CYS 5 1.730 3.677 -8.704
40 H TRP 6 H TRP 6 1.763 5.007 -7.139
41 HA TRP 6 HA TRP 6 2.983 5.136 -4.498
42 HB2 TRP 6 1HB TRP 6 3.117 7.371 -6.043
43 HB3 TRP 6 2HB TRP 6 1.571 7.620 -5.235
44 HD1 TRP 6 HD1 TRP 6 5.217 8.051 -4.724
45 HE1 TRP 6 HE1 TRP 6 5.706 8.736 -2.292
46 HE3 TRP 6 HE3 TRP 6 0.640 7.072 -2.669
47 HZ2 TRP 6 HZ2 TRP 6 4.334 8.845 0.172
48 HZ3 TRP 6 HZ3 TRP 6 0.311 7.493 -0.267
49 HH2 TRP 6 HH2 TRP 6 2.121 8.361 1.122
50 H TYR 7 H TYR 7 0.124 5.771 -6.491
51 HA TYR 7 HA TYR 7 -1.594 4.183 -4.965
52 HB2 TYR 7 1HB TYR 7 -1.055 6.478 -3.579
53 HB3 TYR 7 2HB TYR 7 -2.511 6.933 -4.457
54 HD1 TYR 7 HD2 TYR 7 -1.355 3.817 -2.733
55 HD2 TYR 7 HD1 TYR 7 -4.392 6.770 -3.142
56 HE1 TYR 7 HE2 TYR 7 -2.723 2.633 -1.067
57 HE2 TYR 7 HE1 TYR 7 -5.768 5.594 -1.477
58 HH TYR 7 HH TYR 7 -5.986 3.271 -0.578
59 H THR 8 H THR 8 -4.023 5.441 -5.285
60 HA THR 8 HA THR 8 -4.209 5.549 -8.209
61 HB THR 8 HB THR 8 -6.568 5.350 -6.355
62 HG1 THR 8 HG1 THR 8 -5.609 3.544 -5.710
63 HG21 THR 8 3HG2 THR 8 -7.705 5.154 -8.259
64 HG22 THR 8 1HG2 THR 8 -6.714 3.775 -8.736
65 HG23 THR 8 2HG2 THR 8 -6.210 5.412 -9.160
66 H LEU 9 H LEU 9 -3.379 7.815 -6.462
67 HA LEU 9 HA LEU 9 -5.469 9.699 -6.265
68 HB2 LEU 9 1HB LEU 9 -2.520 9.742 -6.108
69 HB3 LEU 9 2HB LEU 9 -3.302 11.274 -6.490
70 HG LEU 9 HG LEU 9 -4.592 10.026 -4.239
71 HD11 LEU 9 1HD1 LEU 9 -1.737 10.721 -3.677
72 HD12 LEU 9 2HD1 LEU 9 -2.191 9.078 -4.128
73 HD13 LEU 9 3HD1 LEU 9 -2.886 9.820 -2.687
74 HD21 LEU 9 3HD2 LEU 9 -3.987 12.190 -3.190
75 HD22 LEU 9 1HD2 LEU 9 -4.794 12.368 -4.748
76 HD23 LEU 9 2HD2 LEU 9 -3.048 12.587 -4.630
77 H ALA 10 H ALA 10 -3.406 8.728 -8.889
78 HA ALA 10 HA ALA 10 -3.417 9.231 -11.110
79 HB1 ALA 10 1HB ALA 10 -5.414 9.863 -12.125
80 HB2 ALA 10 2HB ALA 10 -5.940 9.050 -10.651
81 HB3 ALA 10 3HB ALA 10 -5.935 10.811 -10.732
82 H MET 11 H MET 11 -1.608 10.653 -10.079
83 HA MET 11 HA MET 11 -1.974 13.453 -9.939
84 HB2 MET 11 1HB MET 11 0.487 11.746 -10.300
85 HB3 MET 11 2HB MET 11 0.555 13.497 -10.153
86 HG2 MET 11 1HG MET 11 -0.445 13.378 -7.950
87 HG3 MET 11 2HG MET 11 -0.600 11.629 -8.097
88 HE1 MET 11 3HE MET 11 0.974 10.051 -8.157
89 HE2 MET 11 1HE MET 11 2.564 10.404 -8.833
90 HE3 MET 11 2HE MET 11 2.389 10.099 -7.105
91 H CYS 12 H CYS 12 0.017 11.722 -12.335
92 HA CYS 12 HA CYS 12 0.184 13.755 -14.192
93 HB2 CYS 12 1HB CYS 12 0.899 12.119 -15.769
94 HB3 CYS 12 2HB CYS 12 1.446 11.562 -14.191
95 H GLY 13 H GLY 13 -0.878 14.121 -16.216
96 HA2 GLY 13 1HA GLY 13 -2.673 13.928 -17.730
97 HA3 GLY 13 2HA GLY 13 -3.514 12.912 -16.568
98 H ALA 14 H ALA 14 -2.804 15.007 -14.461
99 HA ALA 14 HA ALA 14 -5.008 16.843 -15.131
100 HB1 ALA 14 1HB ALA 14 -4.034 15.918 -12.431
101 HB2 ALA 14 2HB ALA 14 -5.321 17.094 -12.699
102 HB3 ALA 14 3HB ALA 14 -5.523 15.427 -13.239
103 H GLY 15 H GLY 15 -2.110 17.125 -15.784
104 HA2 GLY 15 1HA GLY 15 -1.101 19.286 -16.091
105 HA3 GLY 15 2HA GLY 15 -1.754 19.767 -14.532
106 H TYR 16 H TYR 16 -0.849 16.976 -13.574
107 HA TYR 16 HA TYR 16 1.507 17.804 -12.308
108 HB2 TYR 16 1HB TYR 16 -0.011 15.283 -12.552
109 HB3 TYR 16 2HB TYR 16 1.696 15.098 -12.163
110 HD1 TYR 16 HD2 TYR 16 -1.485 16.601 -11.030
111 HD2 TYR 16 HD1 TYR 16 2.528 15.630 -10.001
112 HE1 TYR 16 HE2 TYR 16 -1.975 17.102 -8.673
113 HE2 TYR 16 HE1 TYR 16 2.049 16.127 -7.640
114 HH TYR 16 HH TYR 16 -0.009 16.174 -6.150
115 H ASP 17 H ASP 17 0.961 16.148 -15.335
116 HA ASP 17 HA ASP 17 3.869 16.178 -15.815
117 HB2 ASP 17 1HB ASP 17 1.850 14.136 -16.768
118 HB3 ASP 17 2HB ASP 17 3.532 14.197 -17.285
119 H SER 18 H SER 18 4.054 15.701 -18.420
120 HA SER 18 HA SER 18 2.952 18.110 -19.585
121 HB2 SER 18 1HB SER 18 4.971 16.070 -20.488
122 HB3 SER 18 2HB SER 18 4.330 17.269 -21.611
123 H GLY 19 H GLY 19 0.741 17.211 -19.344
124 HA2 GLY 19 1HA GLY 19 -0.279 15.095 -18.908
125 HA3 GLY 19 2HA GLY 19 -0.763 15.507 -20.547
126 H THR 20 H THR 20 1.668 13.753 -18.667
127 HA THR 20 HA THR 20 1.657 11.638 -20.653
128 HB THR 20 HB THR 20 3.443 13.262 -21.385
129 HG1 THR 20 HG1 THR 20 3.553 11.050 -21.958
130 HG21 THR 20 3HG2 THR 20 4.206 13.923 -19.141
131 HG22 THR 20 1HG2 THR 20 5.532 13.311 -20.130
132 HG23 THR 20 2HG2 THR 20 4.821 12.291 -18.879
133 H CYS 21 H CYS 21 2.061 9.662 -19.786
134 HA CYS 21 HA CYS 21 3.069 9.556 -17.024
135 HB2 CYS 21 1HB CYS 21 0.825 7.810 -18.036
136 HB3 CYS 21 2HB CYS 21 1.388 7.992 -16.377
137 H ASP 22 H ASP 22 3.206 6.959 -16.533
138 HA ASP 22 HA ASP 22 4.311 5.511 -18.782
139 HB2 ASP 22 1HB ASP 22 6.004 6.947 -16.906
140 HB3 ASP 22 2HB ASP 22 6.353 5.220 -16.907
141 H TYR 23 H TYR 23 4.910 5.255 -15.291
142 HA TYR 23 HA TYR 23 4.373 2.489 -15.212
143 HB2 TYR 23 1HB TYR 23 4.239 4.362 -12.850
144 HB3 TYR 23 2HB TYR 23 4.645 2.650 -12.847
145 HD1 TYR 23 HD2 TYR 23 6.649 2.329 -14.858
146 HD2 TYR 23 HD1 TYR 23 6.074 5.596 -12.194
147 HE1 TYR 23 HE2 TYR 23 9.036 2.891 -15.042
148 HE2 TYR 23 HE1 TYR 23 8.460 6.168 -12.371
149 HH TYR 23 HH TYR 23 10.385 5.735 -13.409
150 H MET 24 H MET 24 2.334 5.272 -14.977
151 HA MET 24 HA MET 24 0.157 4.156 -13.589
152 HB2 MET 24 1HB MET 24 0.358 6.397 -15.593
153 HB3 MET 24 2HB MET 24 -1.167 5.949 -14.840
154 HG2 MET 24 1HG MET 24 -0.509 7.604 -13.432
155 HG3 MET 24 2HG MET 24 0.227 6.218 -12.629
156 HE1 MET 24 3HE MET 24 2.570 6.888 -11.505
157 HE2 MET 24 1HE MET 24 2.588 5.570 -12.677
158 HE3 MET 24 2HE MET 24 3.870 6.781 -12.693
159 H TYR 25 H TYR 25 0.924 4.288 -17.046
160 HA TYR 25 HA TYR 25 -1.471 3.067 -17.929
161 HB2 TYR 25 1HB TYR 25 1.231 3.508 -19.163
162 HB3 TYR 25 2HB TYR 25 0.019 2.537 -19.993
163 HD1 TYR 25 HD1 TYR 25 -0.041 5.763 -18.093
164 HD2 TYR 25 HD2 TYR 25 -1.019 3.701 -21.683
165 HE1 TYR 25 HE1 TYR 25 -1.062 7.815 -18.985
166 HE2 TYR 25 HE2 TYR 25 -2.042 5.747 -22.586
167 HH TYR 25 HH TYR 25 -3.029 8.204 -20.908
168 H SER 26 H SER 26 1.135 1.824 -16.225
169 HA SER 26 HA SER 26 1.016 -0.848 -17.343
170 HB2 SER 26 1HB SER 26 3.129 0.249 -16.429
171 HB3 SER 26 2HB SER 26 2.451 -0.011 -14.822
172 HG SER 26 HG SER 26 3.273 -1.912 -16.733
173 H HIS 27 H HIS 27 -1.417 0.242 -16.215
174 HA HIS 27 HA HIS 27 -3.146 -0.338 -14.852
175 HB2 HIS 27 1HB HIS 27 -1.626 -2.892 -15.194
176 HB3 HIS 27 2HB HIS 27 -2.974 -2.846 -14.060
177 HD1 HIS 27 HD1 HIS 27 -4.945 -1.117 -15.662
178 HD2 HIS 27 HD2 HIS 27 -2.733 -4.237 -17.284
179 HE1 HIS 27 HE1 HIS 27 -6.217 -1.853 -17.703
180 H CYS 28 H CYS 28 -1.487 1.199 -13.496
181 HA CYS 28 HA CYS 28 -1.141 -0.133 -10.889
182 HB2 CYS 28 1HB CYS 28 0.857 0.981 -12.306
183 HB3 CYS 28 2HB CYS 28 0.304 2.402 -11.426
184 H PHE 29 H PHE 29 -2.671 2.382 -12.634
185 HA PHE 29 HA PHE 29 -3.670 3.546 -10.118
186 HB2 PHE 29 1HB PHE 29 -3.028 4.813 -12.763
187 HB3 PHE 29 2HB PHE 29 -4.206 5.555 -11.686
188 HD1 PHE 29 HD2 PHE 29 -0.871 3.939 -11.227
189 HD2 PHE 29 HD1 PHE 29 -3.340 7.339 -10.548
190 HE1 PHE 29 HE2 PHE 29 0.957 5.013 -9.978
191 HE2 PHE 29 HE1 PHE 29 -1.516 8.419 -9.299
192 HZ PHE 29 HZ PHE 29 0.636 7.256 -9.013
193 H GLY 30 H GLY 30 -4.458 2.173 -13.208
194 HA2 GLY 30 1HA GLY 30 -6.510 1.057 -13.616
195 HA3 GLY 30 2HA GLY 30 -7.270 2.060 -12.390
196 H VAL 31 H VAL 31 -5.220 3.470 -14.821
197 HA VAL 31 HA VAL 31 -7.563 4.847 -15.923
198 HB VAL 31 HB VAL 31 -5.974 6.463 -16.858
199 HG11 VAL 31 1HG1 VAL 31 -6.171 5.873 -13.981
200 HG12 VAL 31 2HG1 VAL 31 -4.882 6.987 -14.443
201 HG13 VAL 31 3HG1 VAL 31 -6.556 7.348 -14.868
202 HG21 VAL 31 3HG2 VAL 31 -3.935 5.642 -17.315
203 HG22 VAL 31 1HG2 VAL 31 -3.572 6.047 -15.637
204 HG23 VAL 31 2HG2 VAL 31 -4.047 4.403 -16.065
205 H LYS 32 H LYS 32 -4.861 2.800 -16.814
206 HA LYS 32 HA LYS 32 -4.921 3.006 -19.576
207 HB2 LYS 32 1HB LYS 32 -3.160 1.758 -18.620
208 HB3 LYS 32 2HB LYS 32 -4.266 0.709 -17.744
209 HG2 LYS 32 1HG LYS 32 -3.208 -0.427 -19.635
210 HG3 LYS 32 2HG LYS 32 -4.962 -0.340 -19.810
211 HD2 LYS 32 1HD LYS 32 -3.910 0.166 -21.927
212 HD3 LYS 32 2HD LYS 32 -4.682 1.620 -21.290
213 HE2 LYS 32 1HE LYS 32 -2.745 2.690 -21.467
214 HE3 LYS 32 2HE LYS 32 -2.052 1.586 -20.280
215 HZ1 LYS 32 3HZ LYS 32 -1.150 1.843 -22.775
216 HZ2 LYS 32 1HZ LYS 32 -2.230 0.557 -22.984
217 HZ3 LYS 32 2HZ LYS 32 -0.974 0.433 -21.858
218 H HIS 33 H HIS 33 -6.490 2.670 -20.993
219 HA HIS 33 HA HIS 33 -8.953 1.437 -20.296
220 HB2 HIS 33 1HB HIS 33 -7.796 2.423 -22.897
221 HB3 HIS 33 2HB HIS 33 -9.372 1.641 -22.821
222 HD1 HIS 33 HD1 HIS 33 -7.677 4.850 -22.256
223 HD2 HIS 33 HD2 HIS 33 -11.326 3.111 -21.293
224 HE1 HIS 33 HE1 HIS 33 -9.162 6.752 -21.546
225 H SER 34 H SER 34 -9.915 -0.428 -21.312
226 HA SER 34 HA SER 34 -8.191 -2.683 -21.286
227 HB2 SER 34 1HB SER 34 -10.256 -3.928 -22.019
228 HB3 SER 34 2HB SER 34 -10.462 -2.966 -20.555
229 HG SER 34 HG SER 34 -12.198 -2.581 -21.906
230 H SER 35 H SER 35 -6.747 -2.996 -22.856
231 HA SER 35 HA SER 35 -6.824 -2.021 -25.445
232 HB2 SER 35 1HB SER 35 -5.514 -4.655 -24.817
233 HB3 SER 35 2HB SER 35 -4.959 -3.373 -25.893
234 HG SER 35 HG SER 35 -3.950 -3.631 -23.692
235 H GLY 36 H GLY 36 -7.004 -3.254 -27.488
236 HA2 GLY 36 1HA GLY 36 -9.490 -4.753 -27.489
237 HA3 GLY 36 2HA GLY 36 -8.613 -4.184 -28.901
238 H GLY 37 H GLY 37 -6.838 -5.417 -29.688
239 HA2 GLY 37 1HA GLY 37 -7.089 -8.262 -28.995
240 HA3 GLY 37 2HA GLY 37 -6.445 -7.627 -30.502
241 H GLY 38 H GLY 38 -5.370 -9.532 -28.422
242 HA2 GLY 38 1HA GLY 38 -2.934 -8.061 -27.660
243 HA3 GLY 38 2HA GLY 38 -3.492 -9.553 -26.918
244 H GLY 39 H GLY 39 -0.869 -8.949 -28.025
245 HA2 GLY 39 1HA GLY 39 -0.758 -11.161 -29.965
246 HA3 GLY 39 2HA GLY 39 0.062 -9.648 -30.323
247 H SER 40 H SER 40 -0.188 -11.853 -27.528
248 HA SER 40 HA SER 40 2.674 -11.472 -27.050
249 HB2 SER 40 1HB SER 40 2.106 -12.782 -24.907
250 HB3 SER 40 2HB SER 40 1.457 -11.149 -25.056
251 HG SER 40 HG SER 40 -0.529 -11.966 -25.477
252 H TYR 41 H TYR 41 3.984 -12.856 -28.031
253 HA TYR 41 HA TYR 41 3.323 -15.712 -27.956
254 HB2 TYR 41 1HB TYR 41 2.886 -14.456 -30.240
255 HB3 TYR 41 2HB TYR 41 4.629 -14.627 -30.416
256 HD1 TYR 41 HD2 TYR 41 5.644 -16.836 -30.657
257 HD2 TYR 41 HD1 TYR 41 1.426 -16.382 -30.334
258 HE1 TYR 41 HE2 TYR 41 5.340 -19.137 -31.470
259 HE2 TYR 41 HE1 TYR 41 1.110 -18.683 -31.145
260 HH TYR 41 HH TYR 41 3.392 -20.414 -32.698
261 H HIS 42 H HIS 42 5.198 -17.110 -28.271
262 HA HIS 42 HA HIS 42 7.582 -15.911 -27.083
263 HB2 HIS 42 1HB HIS 42 6.641 -18.757 -27.396
264 HB3 HIS 42 2HB HIS 42 8.274 -18.365 -26.866
265 HD1 HIS 42 HD1 HIS 42 8.473 -17.097 -24.548
266 HD2 HIS 42 HD2 HIS 42 4.699 -18.578 -25.457
267 HE1 HIS 42 HE1 HIS 42 7.199 -17.068 -22.380
268 H CYS 43 H CYS 43 7.105 -15.275 -29.780
269 HA CYS 43 HA CYS 43 8.851 -16.967 -31.372
270 HB2 CYS 43 1HB CYS 43 6.872 -16.138 -32.472
271 HB3 CYS 43 2HB CYS 43 7.270 -14.478 -32.039
272 H1 NAG 101 H1 NAG 100 5.251 19.418 -21.394
273 H2 NAG 101 HC2 NAG 100 7.022 20.106 -18.984
274 H3 NAG 101 HC3 NAG 100 5.891 21.876 -21.229
275 H4 NAG 101 HC4 NAG 100 8.771 20.903 -20.753
276 H5 NAG 101 H5 NAG 100 6.681 20.066 -22.843
277 H61 NAG 101 1H6 NAG 100 9.013 20.248 -23.755
278 H62 NAG 101 2H6 NAG 100 9.617 19.237 -22.435
279 H81 NAG 101 3H8 NAG 100 3.353 21.591 -17.059
280 H82 NAG 101 1H8 NAG 100 2.588 20.091 -17.684
281 H83 NAG 101 2H8 NAG 100 3.458 20.068 -16.113
282 HN2 NAG 101 H2 NAG 100 4.370 21.352 -19.444
283 HO3 NAG 101 H3 NAG 100 7.387 23.405 -20.282
284 HO4 NAG 101 H4 NAG 100 9.256 22.125 -22.499
285 HO6 NAG 101 HO6 NAG 100 7.811 17.672 -23.251
286 H1 NAG 102 H1 NAG 200 10.388 -15.440 -34.721
287 H2 NAG 102 HC2 NAG 200 9.918 -13.959 -37.368
288 H3 NAG 102 HC3 NAG 200 12.511 -14.931 -36.033
289 H4 NAG 102 HC4 NAG 200 11.411 -12.075 -36.346
290 H5 NAG 102 H5 NAG 200 11.607 -13.899 -33.882
291 H61 NAG 102 1H6 NAG 200 12.164 -11.496 -33.413
292 H62 NAG 102 2H6 NAG 200 10.666 -10.986 -34.205
293 H81 NAG 102 3H8 NAG 200 10.259 -18.335 -38.353
294 H82 NAG 102 1H8 NAG 200 8.488 -18.214 -38.623
295 H83 NAG 102 2H8 NAG 200 9.630 -17.613 -39.873
296 HN2 NAG 102 H2 NAG 200 11.253 -16.603 -37.215
297 HO3 NAG 102 H3 NAG 200 13.447 -13.611 -37.722
298 HO4 NAG 102 H4 NAG 200 13.281 -11.469 -35.391
299 HO6 NAG 102 HO6 NAG 200 9.641 -12.627 -32.582
Start of MODEL 17
1 H1 LYS 1 H LYS 1 1.920 -2.104 -3.561
2 HA LYS 1 HA LYS 1 1.873 -2.186 -6.497
3 HB2 LYS 1 1HB LYS 1 2.161 0.294 -6.520
4 HB3 LYS 1 2HB LYS 1 0.590 -0.235 -5.932
5 HG2 LYS 1 1HG LYS 1 1.740 -0.049 -3.590
6 HG3 LYS 1 2HG LYS 1 2.843 1.026 -4.451
7 HD2 LYS 1 1HD LYS 1 1.212 2.477 -3.653
8 HD3 LYS 1 2HD LYS 1 0.690 2.168 -5.311
9 HE2 LYS 1 1HE LYS 1 -1.251 1.984 -3.987
10 HE3 LYS 1 2HE LYS 1 -0.770 0.329 -4.357
11 HZ1 LYS 1 3HZ LYS 1 0.474 1.177 -1.970
12 HZ2 LYS 1 1HZ LYS 1 -0.607 -0.103 -2.206
13 HZ3 LYS 1 2HZ LYS 1 -1.192 1.445 -1.856
14 HA PRO 2 HA PRO 2 6.252 -2.364 -6.257
15 HB2 PRO 2 1HB PRO 2 6.966 -1.041 -8.518
16 HB3 PRO 2 2HB PRO 2 6.250 -2.657 -8.536
17 HG2 PRO 2 1HG PRO 2 4.949 -0.002 -9.008
18 HG3 PRO 2 2HG PRO 2 4.734 -1.526 -9.889
19 HD2 PRO 2 1HD PRO 2 2.971 -0.659 -8.025
20 HD3 PRO 2 2HD PRO 2 3.292 -2.382 -8.308
21 H ALA 3 H ALA 3 8.211 -0.709 -6.924
22 HA ALA 3 HA ALA 3 7.896 1.487 -5.042
23 HB1 ALA 3 1HB ALA 3 10.267 1.654 -5.045
24 HB2 ALA 3 2HB ALA 3 9.868 -0.064 -4.996
25 HB3 ALA 3 3HB ALA 3 10.397 0.675 -6.507
26 H TRP 4 H TRP 4 6.973 1.271 -8.039
27 HA TRP 4 HA TRP 4 8.205 3.754 -9.001
28 HB2 TRP 4 1HB TRP 4 6.303 2.286 -10.734
29 HB3 TRP 4 2HB TRP 4 7.843 3.042 -11.134
30 HD1 TRP 4 HD1 TRP 4 9.852 1.448 -9.398
31 HE1 TRP 4 HE1 TRP 4 10.279 -1.055 -9.814
32 HE3 TRP 4 HE3 TRP 4 5.526 0.286 -11.861
33 HZ2 TRP 4 HZ2 TRP 4 8.957 -3.235 -11.026
34 HZ3 TRP 4 HZ3 TRP 4 5.185 -2.031 -12.616
35 HH2 TRP 4 HH2 TRP 4 6.866 -3.754 -12.207
36 H CYS 5 H CYS 5 5.084 2.278 -8.271
37 HA CYS 5 HA CYS 5 3.664 4.735 -8.893
38 HB2 CYS 5 1HB CYS 5 2.476 2.279 -7.614
39 HB3 CYS 5 2HB CYS 5 1.667 3.506 -8.583
40 H TRP 6 H TRP 6 1.701 4.822 -7.004
41 HA TRP 6 HA TRP 6 2.928 4.915 -4.374
42 HB2 TRP 6 1HB TRP 6 3.136 7.169 -5.881
43 HB3 TRP 6 2HB TRP 6 1.594 7.453 -5.078
44 HD1 TRP 6 HD1 TRP 6 5.253 7.747 -4.537
45 HE1 TRP 6 HE1 TRP 6 5.746 8.386 -2.093
46 HE3 TRP 6 HE3 TRP 6 0.624 6.919 -2.531
47 HZ2 TRP 6 HZ2 TRP 6 4.357 8.520 0.361
48 HZ3 TRP 6 HZ3 TRP 6 0.290 7.326 -0.128
49 HH2 TRP 6 HH2 TRP 6 2.119 8.110 1.287
50 H TYR 7 H TYR 7 0.099 5.628 -6.377
51 HA TYR 7 HA TYR 7 -1.667 4.088 -4.857
52 HB2 TYR 7 1HB TYR 7 -1.083 6.359 -3.465
53 HB3 TYR 7 2HB TYR 7 -2.506 6.869 -4.366
54 HD1 TYR 7 HD2 TYR 7 -1.523 3.679 -2.674
55 HD2 TYR 7 HD1 TYR 7 -4.387 6.804 -3.039
56 HE1 TYR 7 HE2 TYR 7 -2.961 2.544 -1.033
57 HE2 TYR 7 HE1 TYR 7 -5.833 5.678 -1.398
58 HH TYR 7 HH TYR 7 -4.778 2.759 0.284
59 H THR 8 H THR 8 -4.069 5.341 -5.207
60 HA THR 8 HA THR 8 -4.245 5.422 -8.124
61 HB THR 8 HB THR 8 -6.610 5.410 -6.267
62 HG1 THR 8 HG1 THR 8 -5.134 3.138 -7.165
63 HG21 THR 8 3HG2 THR 8 -7.767 5.179 -8.156
64 HG22 THR 8 1HG2 THR 8 -6.813 3.767 -8.609
65 HG23 THR 8 2HG2 THR 8 -6.269 5.382 -9.063
66 H LEU 9 H LEU 9 -3.337 7.693 -6.368
67 HA LEU 9 HA LEU 9 -5.301 9.689 -6.246
68 HB2 LEU 9 1HB LEU 9 -2.308 9.745 -6.372
69 HB3 LEU 9 2HB LEU 9 -3.243 11.239 -6.370
70 HG LEU 9 HG LEU 9 -3.228 9.148 -4.193
71 HD11 LEU 9 1HD1 LEU 9 -2.200 11.023 -2.884
72 HD12 LEU 9 2HD1 LEU 9 -1.991 11.884 -4.408
73 HD13 LEU 9 3HD1 LEU 9 -1.174 10.343 -4.147
74 HD21 LEU 9 3HD2 LEU 9 -5.381 10.091 -4.184
75 HD22 LEU 9 1HD2 LEU 9 -4.767 11.705 -4.545
76 HD23 LEU 9 2HD2 LEU 9 -4.480 10.987 -2.960
77 H ALA 10 H ALA 10 -3.118 8.715 -8.827
78 HA ALA 10 HA ALA 10 -3.100 9.171 -11.058
79 HB1 ALA 10 1HB ALA 10 -5.101 9.479 -12.132
80 HB2 ALA 10 2HB ALA 10 -5.661 8.864 -10.576
81 HB3 ALA 10 3HB ALA 10 -5.711 10.595 -10.910
82 H MET 11 H MET 11 -1.440 10.752 -10.038
83 HA MET 11 HA MET 11 -2.044 13.517 -9.954
84 HB2 MET 11 1HB MET 11 0.601 12.098 -10.313
85 HB3 MET 11 2HB MET 11 0.425 13.818 -9.994
86 HG2 MET 11 1HG MET 11 -0.260 13.484 -7.820
87 HG3 MET 11 2HG MET 11 -0.798 11.836 -8.135
88 HE1 MET 11 3HE MET 11 1.465 9.559 -7.749
89 HE2 MET 11 1HE MET 11 1.425 10.205 -6.109
90 HE3 MET 11 2HE MET 11 -0.024 10.261 -7.113
91 H CYS 12 H CYS 12 0.039 11.814 -12.300
92 HA CYS 12 HA CYS 12 0.190 13.822 -14.185
93 HB2 CYS 12 1HB CYS 12 0.940 12.176 -15.732
94 HB3 CYS 12 2HB CYS 12 1.477 11.641 -14.142
95 H GLY 13 H GLY 13 -0.871 14.156 -16.212
96 HA2 GLY 13 1HA GLY 13 -2.655 13.887 -17.737
97 HA3 GLY 13 2HA GLY 13 -3.500 12.914 -16.541
98 H ALA 14 H ALA 14 -2.927 14.971 -14.444
99 HA ALA 14 HA ALA 14 -5.103 16.798 -15.189
100 HB1 ALA 14 1HB ALA 14 -5.331 17.173 -12.747
101 HB2 ALA 14 2HB ALA 14 -5.587 15.496 -13.230
102 HB3 ALA 14 3HB ALA 14 -4.063 15.976 -12.483
103 H GLY 15 H GLY 15 -2.176 17.061 -15.857
104 HA2 GLY 15 1HA GLY 15 -1.218 19.228 -16.308
105 HA3 GLY 15 2HA GLY 15 -1.866 19.784 -14.772
106 H TYR 16 H TYR 16 -0.913 17.072 -13.659
107 HA TYR 16 HA TYR 16 1.427 17.992 -12.447
108 HB2 TYR 16 1HB TYR 16 -0.032 15.434 -12.591
109 HB3 TYR 16 2HB TYR 16 1.683 15.289 -12.227
110 HD1 TYR 16 HD1 TYR 16 2.611 16.445 -10.213
111 HD2 TYR 16 HD2 TYR 16 -1.571 16.227 -10.968
112 HE1 TYR 16 HE1 TYR 16 2.163 17.007 -7.861
113 HE2 TYR 16 HE2 TYR 16 -2.030 16.790 -8.618
114 HH TYR 16 HH TYR 16 -0.808 16.592 -6.406
115 H ASP 17 H ASP 17 0.929 16.195 -15.406
116 HA ASP 17 HA ASP 17 3.837 16.274 -15.881
117 HB2 ASP 17 1HB ASP 17 1.842 14.197 -16.809
118 HB3 ASP 17 2HB ASP 17 3.527 14.265 -17.319
119 H SER 18 H SER 18 4.037 15.748 -18.478
120 HA SER 18 HA SER 18 2.924 18.128 -19.692
121 HB2 SER 18 1HB SER 18 4.979 16.099 -20.521
122 HB3 SER 18 2HB SER 18 4.314 17.228 -21.700
123 H GLY 19 H GLY 19 0.719 17.211 -19.442
124 HA2 GLY 19 1HA GLY 19 -0.282 15.094 -18.972
125 HA3 GLY 19 2HA GLY 19 -0.765 15.473 -20.619
126 H THR 20 H THR 20 1.678 13.775 -18.704
127 HA THR 20 HA THR 20 1.691 11.624 -20.649
128 HB THR 20 HB THR 20 3.457 13.249 -21.419
129 HG1 THR 20 HG1 THR 20 3.621 11.053 -21.970
130 HG21 THR 20 3HG2 THR 20 5.532 13.384 -20.170
131 HG22 THR 20 1HG2 THR 20 4.872 12.345 -18.908
132 HG23 THR 20 2HG2 THR 20 4.199 13.954 -19.167
133 H CYS 21 H CYS 21 2.126 9.669 -19.748
134 HA CYS 21 HA CYS 21 3.139 9.625 -16.988
135 HB2 CYS 21 1HB CYS 21 0.903 7.843 -17.952
136 HB3 CYS 21 2HB CYS 21 1.472 8.065 -16.301
137 H ASP 22 H ASP 22 3.243 7.007 -16.469
138 HA ASP 22 HA ASP 22 4.397 5.561 -18.698
139 HB2 ASP 22 1HB ASP 22 6.042 6.972 -16.758
140 HB3 ASP 22 2HB ASP 22 6.384 5.244 -16.773
141 H TYR 23 H TYR 23 4.904 5.277 -15.195
142 HA TYR 23 HA TYR 23 4.337 2.515 -15.152
143 HB2 TYR 23 1HB TYR 23 4.160 4.355 -12.768
144 HB3 TYR 23 2HB TYR 23 4.580 2.646 -12.789
145 HD1 TYR 23 HD2 TYR 23 6.584 2.506 -14.914
146 HD2 TYR 23 HD1 TYR 23 6.011 5.462 -11.908
147 HE1 TYR 23 HE2 TYR 23 8.970 3.091 -15.042
148 HE2 TYR 23 HE1 TYR 23 8.395 6.056 -12.028
149 HH TYR 23 HH TYR 23 10.691 4.142 -13.540
150 H MET 24 H MET 24 2.325 5.319 -14.933
151 HA MET 24 HA MET 24 0.107 4.212 -13.603
152 HB2 MET 24 1HB MET 24 0.381 6.476 -15.572
153 HB3 MET 24 2HB MET 24 -1.169 6.036 -14.866
154 HG2 MET 24 1HG MET 24 -0.524 7.670 -13.425
155 HG3 MET 24 2HG MET 24 0.157 6.262 -12.614
156 HE1 MET 24 3HE MET 24 2.554 5.582 -12.593
157 HE2 MET 24 1HE MET 24 3.798 6.826 -12.470
158 HE3 MET 24 2HE MET 24 2.404 6.864 -11.391
159 H TYR 25 H TYR 25 0.950 4.375 -17.041
160 HA TYR 25 HA TYR 25 -1.440 3.193 -17.989
161 HB2 TYR 25 1HB TYR 25 1.291 3.620 -19.161
162 HB3 TYR 25 2HB TYR 25 0.089 2.671 -20.028
163 HD1 TYR 25 HD1 TYR 25 0.029 5.878 -18.097
164 HD2 TYR 25 HD2 TYR 25 -0.910 3.861 -21.723
165 HE1 TYR 25 HE1 TYR 25 -0.955 7.949 -18.987
166 HE2 TYR 25 HE2 TYR 25 -1.896 5.926 -22.624
167 HH TYR 25 HH TYR 25 -2.672 8.001 -22.045
168 H SER 26 H SER 26 1.105 1.900 -16.237
169 HA SER 26 HA SER 26 0.992 -0.755 -17.394
170 HB2 SER 26 1HB SER 26 3.065 0.387 -16.338
171 HB3 SER 26 2HB SER 26 2.343 -0.069 -14.795
172 HG SER 26 HG SER 26 2.577 -2.179 -15.293
173 H HIS 27 H HIS 27 -1.438 0.418 -16.249
174 HA HIS 27 HA HIS 27 -3.204 -0.157 -14.933
175 HB2 HIS 27 1HB HIS 27 -2.473 -2.394 -16.155
176 HB3 HIS 27 2HB HIS 27 -2.085 -2.892 -14.511
177 HD1 HIS 27 HD1 HIS 27 -4.003 -4.661 -14.643
178 HD2 HIS 27 HD2 HIS 27 -5.258 -0.712 -14.945
179 HE1 HIS 27 HE1 HIS 27 -6.494 -4.719 -14.301
180 H CYS 28 H CYS 28 -1.481 1.246 -13.499
181 HA CYS 28 HA CYS 28 -1.226 -0.210 -10.949
182 HB2 CYS 28 1HB CYS 28 0.835 0.871 -12.296
183 HB3 CYS 28 2HB CYS 28 0.333 2.280 -11.368
184 H PHE 29 H PHE 29 -2.669 2.405 -12.596
185 HA PHE 29 HA PHE 29 -3.606 3.537 -10.041
186 HB2 PHE 29 1HB PHE 29 -2.975 4.849 -12.669
187 HB3 PHE 29 2HB PHE 29 -4.094 5.602 -11.537
188 HD1 PHE 29 HD2 PHE 29 -0.802 3.862 -11.239
189 HD2 PHE 29 HD1 PHE 29 -3.135 7.312 -10.360
190 HE1 PHE 29 HE2 PHE 29 1.100 4.832 -10.016
191 HE2 PHE 29 HE1 PHE 29 -1.237 8.288 -9.136
192 HZ PHE 29 HZ PHE 29 0.884 7.049 -8.964
193 H GLY 30 H GLY 30 -4.470 2.187 -13.104
194 HA2 GLY 30 1HA GLY 30 -6.525 1.246 -13.674
195 HA3 GLY 30 2HA GLY 30 -7.235 1.999 -12.254
196 H VAL 31 H VAL 31 -5.370 3.781 -14.618
197 HA VAL 31 HA VAL 31 -7.789 5.307 -15.279
198 HB VAL 31 HB VAL 31 -6.283 7.066 -16.072
199 HG11 VAL 31 1HG1 VAL 31 -5.763 6.011 -13.301
200 HG12 VAL 31 2HG1 VAL 31 -5.190 7.584 -13.859
201 HG13 VAL 31 3HG1 VAL 31 -6.920 7.246 -13.795
202 HG21 VAL 31 3HG2 VAL 31 -4.291 4.929 -15.767
203 HG22 VAL 31 1HG2 VAL 31 -4.309 6.323 -16.848
204 HG23 VAL 31 2HG2 VAL 31 -3.781 6.510 -15.176
205 H LYS 32 H LYS 32 -5.193 3.428 -16.690
206 HA LYS 32 HA LYS 32 -5.421 4.052 -19.366
207 HB2 LYS 32 1HB LYS 32 -3.679 2.586 -18.683
208 HB3 LYS 32 2HB LYS 32 -4.817 1.435 -17.997
209 HG2 LYS 32 1HG LYS 32 -5.359 0.543 -20.031
210 HG3 LYS 32 2HG LYS 32 -4.972 2.025 -20.908
211 HD2 LYS 32 1HD LYS 32 -2.788 0.535 -19.523
212 HD3 LYS 32 2HD LYS 32 -3.401 -0.069 -21.064
213 HE2 LYS 32 1HE LYS 32 -3.086 2.518 -21.693
214 HE3 LYS 32 2HE LYS 32 -1.838 2.369 -20.457
215 HZ1 LYS 32 3HZ LYS 32 -2.081 0.614 -22.840
216 HZ2 LYS 32 1HZ LYS 32 -0.848 0.567 -21.683
217 HZ3 LYS 32 2HZ LYS 32 -1.003 1.910 -22.698
218 H HIS 33 H HIS 33 -6.669 3.327 -21.077
219 HA HIS 33 HA HIS 33 -9.193 2.014 -20.312
220 HB2 HIS 33 1HB HIS 33 -9.263 4.416 -21.175
221 HB3 HIS 33 2HB HIS 33 -8.794 3.759 -22.740
222 HD1 HIS 33 HD1 HIS 33 -10.905 4.064 -24.045
223 HD2 HIS 33 HD2 HIS 33 -11.559 2.216 -20.382
224 HE1 HIS 33 HE1 HIS 33 -13.316 3.349 -24.074
225 H SER 34 H SER 34 -9.987 0.341 -21.551
226 HA SER 34 HA SER 34 -8.463 -0.530 -23.883
227 HB2 SER 34 1HB SER 34 -8.651 -2.011 -21.292
228 HB3 SER 34 2HB SER 34 -8.655 -2.935 -22.794
229 HG SER 34 HG SER 34 -6.585 -2.650 -22.840
230 H SER 35 H SER 35 -9.762 -1.250 -25.444
231 HA SER 35 HA SER 35 -12.601 -1.435 -24.935
232 HB2 SER 35 1HB SER 35 -11.768 -0.291 -26.953
233 HB3 SER 35 2HB SER 35 -11.051 -1.803 -27.511
234 HG SER 35 HG SER 35 -13.221 -1.205 -28.340
235 H GLY 36 H GLY 36 -9.947 -3.594 -25.750
236 HA2 GLY 36 1HA GLY 36 -11.824 -5.869 -25.663
237 HA3 GLY 36 2HA GLY 36 -10.267 -5.886 -26.478
238 H GLY 37 H GLY 37 -8.388 -6.234 -25.298
239 HA2 GLY 37 1HA GLY 37 -8.089 -6.201 -22.544
240 HA3 GLY 37 2HA GLY 37 -8.698 -7.800 -22.944
241 H GLY 38 H GLY 38 -5.962 -6.182 -22.291
242 HA2 GLY 38 1HA GLY 38 -4.342 -8.190 -23.673
243 HA3 GLY 38 2HA GLY 38 -3.966 -6.501 -23.976
244 H GLY 39 H GLY 39 -2.744 -8.958 -22.439
245 HA2 GLY 39 1HA GLY 39 -1.222 -7.424 -20.626
246 HA3 GLY 39 2HA GLY 39 -2.488 -8.263 -19.742
247 H SER 40 H SER 40 0.554 -8.507 -19.952
248 HA SER 40 HA SER 40 1.111 -11.040 -21.098
249 HB2 SER 40 1HB SER 40 2.649 -9.608 -18.919
250 HB3 SER 40 2HB SER 40 3.261 -10.877 -19.980
251 HG SER 40 HG SER 40 3.811 -9.286 -21.230
252 H TYR 41 H TYR 41 -0.059 -10.009 -17.986
253 HA TYR 41 HA TYR 41 -0.289 -12.829 -17.192
254 HB2 TYR 41 1HB TYR 41 1.585 -11.362 -16.034
255 HB3 TYR 41 2HB TYR 41 0.225 -10.775 -15.084
256 HD1 TYR 41 HD2 TYR 41 -0.985 -12.278 -13.580
257 HD2 TYR 41 HD1 TYR 41 2.394 -13.624 -15.788
258 HE1 TYR 41 HE2 TYR 41 -0.826 -14.253 -12.123
259 HE2 TYR 41 HE1 TYR 41 2.561 -15.603 -14.338
260 HH TYR 41 HH TYR 41 0.333 -16.814 -12.614
261 H HIS 42 H HIS 42 -1.969 -13.226 -15.586
262 HA HIS 42 HA HIS 42 -4.257 -11.465 -16.035
263 HB2 HIS 42 1HB HIS 42 -3.965 -14.302 -15.081
264 HB3 HIS 42 2HB HIS 42 -5.475 -13.423 -14.859
265 HD1 HIS 42 HD1 HIS 42 -6.313 -15.460 -16.480
266 HD2 HIS 42 HD2 HIS 42 -3.960 -12.504 -18.207
267 HE1 HIS 42 HE1 HIS 42 -6.684 -15.668 -18.958
268 H CYS 43 H CYS 43 -2.277 -10.468 -14.309
269 HA CYS 43 HA CYS 43 -3.496 -10.733 -11.647
270 HB2 CYS 43 1HB CYS 43 -1.420 -9.808 -10.760
271 HB3 CYS 43 2HB CYS 43 -1.080 -11.205 -11.775
272 H1 NAG 101 H1 NAG 100 5.275 19.582 -21.350
273 H2 NAG 101 HC2 NAG 100 6.937 20.099 -18.823
274 H3 NAG 101 HC3 NAG 100 5.878 22.026 -20.971
275 H4 NAG 101 HC4 NAG 100 8.747 21.045 -20.451
276 H5 NAG 101 H5 NAG 100 6.755 20.352 -22.684
277 H61 NAG 101 1H6 NAG 100 9.119 20.624 -23.482
278 H62 NAG 101 2H6 NAG 100 9.681 19.520 -22.218
279 H81 NAG 101 3H8 NAG 100 3.269 21.359 -16.748
280 H82 NAG 101 1H8 NAG 100 2.455 20.150 -17.797
281 H83 NAG 101 2H8 NAG 100 3.164 19.643 -16.227
282 HN2 NAG 101 H2 NAG 100 4.291 21.353 -19.297
283 HO3 NAG 101 H3 NAG 100 7.315 23.491 -19.849
284 HO4 NAG 101 H4 NAG 100 9.288 22.401 -22.077
285 HO6 NAG 101 HO6 NAG 100 7.929 18.006 -23.226
286 H1 NAG 102 H1 NAG 200 0.562 -7.884 -11.452
287 H2 NAG 102 HC2 NAG 200 3.221 -9.308 -10.881
288 H3 NAG 102 HC3 NAG 200 2.274 -6.460 -10.217
289 H4 NAG 102 HC4 NAG 200 4.309 -7.417 -12.317
290 H5 NAG 102 H5 NAG 200 1.450 -6.339 -12.629
291 H61 NAG 102 1H6 NAG 200 3.048 -5.494 -14.370
292 H62 NAG 102 2H6 NAG 200 3.571 -7.152 -14.705
293 H81 NAG 102 3H8 NAG 200 2.063 -10.653 -6.828
294 H82 NAG 102 1H8 NAG 200 0.579 -9.731 -7.238
295 H83 NAG 102 2H8 NAG 200 0.687 -11.478 -7.635
296 HN2 NAG 102 H2 NAG 200 1.499 -8.190 -8.740
297 HO3 NAG 102 H3 NAG 200 4.540 -6.220 -9.687
298 HO4 NAG 102 H4 NAG 200 4.592 -5.287 -12.716
299 HO6 NAG 102 HO6 NAG 200 1.090 -7.518 -15.006
Start of MODEL 18
1 H1 LYS 1 H LYS 1 0.524 -2.384 -4.585
2 HA LYS 1 HA LYS 1 1.852 -2.177 -6.661
3 HB2 LYS 1 1HB LYS 1 2.129 0.301 -6.653
4 HB3 LYS 1 2HB LYS 1 0.548 -0.234 -6.101
5 HG2 LYS 1 1HG LYS 1 1.740 -0.082 -3.738
6 HG3 LYS 1 2HG LYS 1 2.737 1.087 -4.606
7 HD2 LYS 1 1HD LYS 1 1.022 2.392 -3.726
8 HD3 LYS 1 2HD LYS 1 0.494 2.093 -5.383
9 HE2 LYS 1 1HE LYS 1 -1.395 1.752 -3.987
10 HE3 LYS 1 2HE LYS 1 -0.841 0.157 -4.495
11 HZ1 LYS 1 3HZ LYS 1 -1.419 0.392 -2.082
12 HZ2 LYS 1 1HZ LYS 1 -0.056 1.380 -1.914
13 HZ3 LYS 1 2HZ LYS 1 0.121 -0.232 -2.394
14 HA PRO 2 HA PRO 2 6.222 -2.355 -6.294
15 HB2 PRO 2 1HB PRO 2 7.001 -1.011 -8.521
16 HB3 PRO 2 2HB PRO 2 6.287 -2.627 -8.575
17 HG2 PRO 2 1HG PRO 2 4.997 0.031 -9.060
18 HG3 PRO 2 2HG PRO 2 4.810 -1.484 -9.961
19 HD2 PRO 2 1HD PRO 2 2.992 -0.637 -8.142
20 HD3 PRO 2 2HD PRO 2 3.323 -2.357 -8.431
21 H ALA 3 H ALA 3 8.202 -0.703 -6.868
22 HA ALA 3 HA ALA 3 7.819 1.487 -4.991
23 HB1 ALA 3 1HB ALA 3 9.782 -0.085 -4.885
24 HB2 ALA 3 2HB ALA 3 10.380 0.688 -6.353
25 HB3 ALA 3 3HB ALA 3 10.182 1.633 -4.878
26 H TRP 4 H TRP 4 7.009 1.291 -8.018
27 HA TRP 4 HA TRP 4 8.308 3.754 -8.937
28 HB2 TRP 4 1HB TRP 4 6.415 2.313 -10.709
29 HB3 TRP 4 2HB TRP 4 7.963 3.063 -11.084
30 HD1 TRP 4 HD1 TRP 4 9.924 1.451 -9.291
31 HE1 TRP 4 HE1 TRP 4 10.353 -1.051 -9.718
32 HE3 TRP 4 HE3 TRP 4 5.669 0.329 -11.894
33 HZ2 TRP 4 HZ2 TRP 4 9.060 -3.213 -10.990
34 HZ3 TRP 4 HZ3 TRP 4 5.342 -1.979 -12.681
35 HH2 TRP 4 HH2 TRP 4 7.004 -3.712 -12.238
36 H CYS 5 H CYS 5 5.127 2.340 -8.328
37 HA CYS 5 HA CYS 5 3.795 4.848 -8.945
38 HB2 CYS 5 1HB CYS 5 2.520 2.369 -7.794
39 HB3 CYS 5 2HB CYS 5 1.749 3.662 -8.707
40 H TRP 6 H TRP 6 1.762 4.940 -7.131
41 HA TRP 6 HA TRP 6 2.932 4.981 -4.463
42 HB2 TRP 6 1HB TRP 6 3.070 7.267 -5.945
43 HB3 TRP 6 2HB TRP 6 1.525 7.483 -5.128
44 HD1 TRP 6 HD1 TRP 6 5.194 7.824 -4.588
45 HE1 TRP 6 HE1 TRP 6 5.673 8.458 -2.140
46 HE3 TRP 6 HE3 TRP 6 0.562 6.959 -2.604
47 HZ2 TRP 6 HZ2 TRP 6 4.273 8.575 0.308
48 HZ3 TRP 6 HZ3 TRP 6 0.215 7.356 -0.201
49 HH2 TRP 6 HH2 TRP 6 2.034 8.147 1.224
50 H TYR 7 H TYR 7 0.101 5.725 -6.468
51 HA TYR 7 HA TYR 7 -1.644 4.062 -5.059
52 HB2 TYR 7 1HB TYR 7 -1.110 6.289 -3.549
53 HB3 TYR 7 2HB TYR 7 -2.575 6.767 -4.398
54 HD1 TYR 7 HD2 TYR 7 -1.288 3.696 -2.685
55 HD2 TYR 7 HD1 TYR 7 -4.528 6.396 -3.245
56 HE1 TYR 7 HE2 TYR 7 -2.633 2.406 -1.079
57 HE2 TYR 7 HE1 TYR 7 -5.881 5.115 -1.639
58 HH TYR 7 HH TYR 7 -4.713 3.052 0.514
59 H THR 8 H THR 8 -4.062 5.356 -5.333
60 HA THR 8 HA THR 8 -4.224 5.601 -8.246
61 HB THR 8 HB THR 8 -6.600 5.418 -6.412
62 HG1 THR 8 HG1 THR 8 -6.300 3.304 -6.180
63 HG21 THR 8 3HG2 THR 8 -6.121 5.374 -9.264
64 HG22 THR 8 1HG2 THR 8 -7.642 5.517 -8.385
65 HG23 THR 8 2HG2 THR 8 -6.972 3.924 -8.735
66 H LEU 9 H LEU 9 -3.337 7.774 -6.400
67 HA LEU 9 HA LEU 9 -5.332 9.721 -6.102
68 HB2 LEU 9 1HB LEU 9 -2.381 9.666 -6.088
69 HB3 LEU 9 2HB LEU 9 -3.125 11.232 -6.404
70 HG LEU 9 HG LEU 9 -4.443 10.863 -4.256
71 HD11 LEU 9 1HD1 LEU 9 -2.256 8.948 -3.547
72 HD12 LEU 9 2HD1 LEU 9 -3.762 8.373 -4.264
73 HD13 LEU 9 3HD1 LEU 9 -3.792 9.245 -2.731
74 HD21 LEU 9 3HD2 LEU 9 -2.630 11.693 -2.879
75 HD22 LEU 9 1HD2 LEU 9 -2.553 12.424 -4.482
76 HD23 LEU 9 2HD2 LEU 9 -1.444 11.122 -4.053
77 H ALA 10 H ALA 10 -3.444 8.750 -8.853
78 HA ALA 10 HA ALA 10 -3.553 9.310 -11.057
79 HB1 ALA 10 1HB ALA 10 -5.584 9.904 -11.938
80 HB2 ALA 10 2HB ALA 10 -6.084 9.286 -10.363
81 HB3 ALA 10 3HB ALA 10 -5.950 11.025 -10.626
82 H MET 11 H MET 11 -1.643 10.641 -10.082
83 HA MET 11 HA MET 11 -1.921 13.458 -9.895
84 HB2 MET 11 1HB MET 11 0.509 11.725 -10.364
85 HB3 MET 11 2HB MET 11 0.577 13.458 -10.071
86 HG2 MET 11 1HG MET 11 -0.125 13.239 -7.865
87 HG3 MET 11 2HG MET 11 -0.774 11.623 -8.135
88 HE1 MET 11 3HE MET 11 0.879 9.950 -9.387
89 HE2 MET 11 1HE MET 11 2.447 9.548 -8.686
90 HE3 MET 11 2HE MET 11 0.972 9.286 -7.755
91 H CYS 12 H CYS 12 0.057 11.739 -12.301
92 HA CYS 12 HA CYS 12 0.188 13.775 -14.157
93 HB2 CYS 12 1HB CYS 12 0.944 12.158 -15.729
94 HB3 CYS 12 2HB CYS 12 1.483 11.596 -14.151
95 H GLY 13 H GLY 13 -0.872 14.105 -16.195
96 HA2 GLY 13 1HA GLY 13 -2.665 13.857 -17.709
97 HA3 GLY 13 2HA GLY 13 -3.501 12.868 -16.522
98 H ALA 14 H ALA 14 -2.821 14.992 -14.453
99 HA ALA 14 HA ALA 14 -5.010 16.824 -15.179
100 HB1 ALA 14 1HB ALA 14 -4.076 15.960 -12.445
101 HB2 ALA 14 2HB ALA 14 -5.381 17.101 -12.769
102 HB3 ALA 14 3HB ALA 14 -5.537 15.418 -13.271
103 H GLY 15 H GLY 15 -2.162 17.144 -15.865
104 HA2 GLY 15 1HA GLY 15 -1.138 19.289 -16.162
105 HA3 GLY 15 2HA GLY 15 -1.791 19.776 -14.605
106 H TYR 16 H TYR 16 -0.885 16.996 -13.627
107 HA TYR 16 HA TYR 16 1.481 17.835 -12.381
108 HB2 TYR 16 1HB TYR 16 -0.055 15.320 -12.574
109 HB3 TYR 16 2HB TYR 16 1.653 15.130 -12.194
110 HD1 TYR 16 HD2 TYR 16 -1.531 16.593 -11.051
111 HD2 TYR 16 HD1 TYR 16 2.524 15.771 -10.060
112 HE1 TYR 16 HE2 TYR 16 -2.002 17.136 -8.699
113 HE2 TYR 16 HE1 TYR 16 2.064 16.310 -7.705
114 HH TYR 16 HH TYR 16 -0.093 17.991 -6.590
115 H ASP 17 H ASP 17 0.908 16.280 -15.429
116 HA ASP 17 HA ASP 17 3.810 16.258 -15.917
117 HB2 ASP 17 1HB ASP 17 1.801 14.099 -16.407
118 HB3 ASP 17 2HB ASP 17 3.148 14.272 -17.528
119 H SER 18 H SER 18 4.025 15.776 -18.489
120 HA SER 18 HA SER 18 2.837 18.113 -19.706
121 HB2 SER 18 1HB SER 18 4.901 16.108 -20.599
122 HB3 SER 18 2HB SER 18 4.245 17.312 -21.709
123 H GLY 19 H GLY 19 0.652 17.167 -19.465
124 HA2 GLY 19 1HA GLY 19 -0.311 15.033 -18.985
125 HA3 GLY 19 2HA GLY 19 -0.804 15.401 -20.631
126 H THR 20 H THR 20 1.697 13.766 -18.731
127 HA THR 20 HA THR 20 1.738 11.614 -20.684
128 HB THR 20 HB THR 20 3.494 13.266 -21.417
129 HG1 THR 20 HG1 THR 20 5.021 11.605 -21.752
130 HG21 THR 20 3HG2 THR 20 5.568 13.378 -20.132
131 HG22 THR 20 1HG2 THR 20 4.852 12.378 -18.869
132 HG23 THR 20 2HG2 THR 20 4.214 13.992 -19.183
133 H CYS 21 H CYS 21 2.165 9.658 -19.788
134 HA CYS 21 HA CYS 21 3.173 9.597 -17.027
135 HB2 CYS 21 1HB CYS 21 0.921 7.834 -17.991
136 HB3 CYS 21 2HB CYS 21 1.494 8.049 -16.340
137 H ASP 22 H ASP 22 3.273 6.985 -16.512
138 HA ASP 22 HA ASP 22 4.389 5.524 -18.748
139 HB2 ASP 22 1HB ASP 22 6.073 6.944 -16.848
140 HB3 ASP 22 2HB ASP 22 6.411 5.215 -16.858
141 H TYR 23 H TYR 23 4.959 5.263 -15.253
142 HA TYR 23 HA TYR 23 4.386 2.504 -15.179
143 HB2 TYR 23 1HB TYR 23 4.257 4.360 -12.806
144 HB3 TYR 23 2HB TYR 23 4.674 2.650 -12.822
145 HD1 TYR 23 HD2 TYR 23 6.639 2.488 -14.980
146 HD2 TYR 23 HD1 TYR 23 6.126 5.472 -11.991
147 HE1 TYR 23 HE2 TYR 23 9.023 3.067 -15.157
148 HE2 TYR 23 HE1 TYR 23 8.508 6.060 -12.161
149 HH TYR 23 HH TYR 23 10.527 4.843 -14.680
150 H MET 24 H MET 24 2.386 5.316 -14.942
151 HA MET 24 HA MET 24 0.190 4.224 -13.564
152 HB2 MET 24 1HB MET 24 0.427 6.473 -15.556
153 HB3 MET 24 2HB MET 24 -1.105 6.045 -14.805
154 HG2 MET 24 1HG MET 24 -0.424 7.679 -13.386
155 HG3 MET 24 2HG MET 24 0.298 6.281 -12.593
156 HE1 MET 24 3HE MET 24 2.606 5.616 -12.599
157 HE2 MET 24 1HE MET 24 3.943 6.763 -12.691
158 HE3 MET 24 2HE MET 24 2.689 6.967 -11.468
159 H TYR 25 H TYR 25 0.965 4.369 -17.019
160 HA TYR 25 HA TYR 25 -1.446 3.185 -17.912
161 HB2 TYR 25 1HB TYR 25 1.261 3.606 -19.141
162 HB3 TYR 25 2HB TYR 25 0.043 2.651 -19.979
163 HD1 TYR 25 HD1 TYR 25 0.007 5.865 -18.058
164 HD2 TYR 25 HD2 TYR 25 -0.981 3.835 -21.664
165 HE1 TYR 25 HE1 TYR 25 -0.995 7.931 -18.939
166 HE2 TYR 25 HE2 TYR 25 -1.986 5.895 -22.556
167 HH TYR 25 HH TYR 25 -1.806 8.337 -22.195
168 H SER 26 H SER 26 1.136 1.898 -16.209
169 HA SER 26 HA SER 26 0.995 -0.763 -17.351
170 HB2 SER 26 1HB SER 26 3.120 0.274 -16.433
171 HB3 SER 26 2HB SER 26 2.429 0.068 -14.824
172 HG SER 26 HG SER 26 3.223 -1.892 -16.682
173 H HIS 27 H HIS 27 -1.435 0.338 -16.236
174 HA HIS 27 HA HIS 27 -3.181 -0.237 -14.892
175 HB2 HIS 27 1HB HIS 27 -2.426 -2.484 -16.039
176 HB3 HIS 27 2HB HIS 27 -1.942 -2.917 -14.401
177 HD1 HIS 27 HD1 HIS 27 -3.720 -4.635 -13.922
178 HD2 HIS 27 HD2 HIS 27 -5.289 -1.013 -15.221
179 HE1 HIS 27 HE1 HIS 27 -6.205 -4.818 -13.582
180 H CYS 28 H CYS 28 -1.489 1.271 -13.520
181 HA CYS 28 HA CYS 28 -1.198 -0.073 -10.913
182 HB2 CYS 28 1HB CYS 28 0.834 1.008 -12.308
183 HB3 CYS 28 2HB CYS 28 0.297 2.437 -11.430
184 H PHE 29 H PHE 29 -2.666 2.474 -12.665
185 HA PHE 29 HA PHE 29 -3.673 3.644 -10.154
186 HB2 PHE 29 1HB PHE 29 -2.970 4.916 -12.782
187 HB3 PHE 29 2HB PHE 29 -4.147 5.674 -11.715
188 HD1 PHE 29 HD2 PHE 29 -0.847 3.993 -11.231
189 HD2 PHE 29 HD1 PHE 29 -3.264 7.429 -10.546
190 HE1 PHE 29 HE2 PHE 29 0.985 5.021 -9.950
191 HE2 PHE 29 HE1 PHE 29 -1.436 8.464 -9.265
192 HZ PHE 29 HZ PHE 29 0.692 7.259 -8.965
193 H GLY 30 H GLY 30 -4.445 2.312 -13.267
194 HA2 GLY 30 1HA GLY 30 -6.518 1.231 -13.692
195 HA3 GLY 30 2HA GLY 30 -7.274 2.268 -12.492
196 H VAL 31 H VAL 31 -5.140 3.612 -14.883
197 HA VAL 31 HA VAL 31 -7.422 5.037 -16.048
198 HB VAL 31 HB VAL 31 -5.759 6.584 -16.984
199 HG11 VAL 31 1HG1 VAL 31 -5.884 7.754 -15.097
200 HG12 VAL 31 2HG1 VAL 31 -6.493 6.299 -14.307
201 HG13 VAL 31 3HG1 VAL 31 -4.767 6.663 -14.278
202 HG21 VAL 31 3HG2 VAL 31 -3.720 5.735 -17.352
203 HG22 VAL 31 1HG2 VAL 31 -3.413 6.087 -15.651
204 HG23 VAL 31 2HG2 VAL 31 -3.929 4.472 -16.139
205 H LYS 32 H LYS 32 -4.784 2.883 -16.866
206 HA LYS 32 HA LYS 32 -4.817 3.067 -19.640
207 HB2 LYS 32 1HB LYS 32 -3.072 1.825 -18.607
208 HB3 LYS 32 2HB LYS 32 -4.213 0.758 -17.798
209 HG2 LYS 32 1HG LYS 32 -3.148 -0.397 -19.627
210 HG3 LYS 32 2HG LYS 32 -4.864 -0.173 -19.974
211 HD2 LYS 32 1HD LYS 32 -3.754 0.357 -21.980
212 HD3 LYS 32 2HD LYS 32 -4.169 1.913 -21.258
213 HE2 LYS 32 1HE LYS 32 -1.977 2.366 -20.662
214 HE3 LYS 32 2HE LYS 32 -1.511 0.666 -20.695
215 HZ1 LYS 32 3HZ LYS 32 -1.888 2.517 -22.962
216 HZ2 LYS 32 1HZ LYS 32 -1.977 0.843 -23.190
217 HZ3 LYS 32 2HZ LYS 32 -0.555 1.541 -22.599
218 H HIS 33 H HIS 33 -6.355 2.679 -21.079
219 HA HIS 33 HA HIS 33 -8.819 1.425 -20.338
220 HB2 HIS 33 1HB HIS 33 -7.759 2.484 -22.958
221 HB3 HIS 33 2HB HIS 33 -9.351 1.746 -22.804
222 HD1 HIS 33 HD1 HIS 33 -8.155 4.914 -23.179
223 HD2 HIS 33 HD2 HIS 33 -10.540 3.218 -20.230
224 HE1 HIS 33 HE1 HIS 33 -9.380 6.836 -22.118
225 H SER 34 H SER 34 -9.375 -0.645 -20.507
226 HA SER 34 HA SER 34 -7.476 -2.525 -21.640
227 HB2 SER 34 1HB SER 34 -8.860 -4.249 -20.607
228 HB3 SER 34 2HB SER 34 -8.529 -2.970 -19.440
229 HG SER 34 HG SER 34 -10.787 -3.769 -19.655
230 H SER 35 H SER 35 -7.562 -2.746 -23.786
231 HA SER 35 HA SER 35 -9.758 -2.251 -25.430
232 HB2 SER 35 1HB SER 35 -7.707 -2.303 -26.546
233 HB3 SER 35 2HB SER 35 -7.223 -3.821 -25.791
234 HG SER 35 HG SER 35 -7.814 -4.212 -27.920
235 H GLY 36 H GLY 36 -8.618 -5.289 -24.002
236 HA2 GLY 36 1HA GLY 36 -10.988 -6.496 -23.510
237 HA3 GLY 36 2HA GLY 36 -10.748 -6.816 -25.222
238 H GLY 37 H GLY 37 -10.874 -8.721 -23.029
239 HA2 GLY 37 1HA GLY 37 -9.817 -10.659 -22.400
240 HA3 GLY 37 2HA GLY 37 -8.761 -10.416 -23.783
241 H GLY 38 H GLY 38 -6.675 -10.126 -23.360
242 HA2 GLY 38 1HA GLY 38 -5.825 -8.644 -21.019
243 HA3 GLY 38 2HA GLY 38 -5.427 -10.355 -20.986
244 H GLY 39 H GLY 39 -4.208 -7.406 -21.683
245 HA2 GLY 39 1HA GLY 39 -2.533 -8.362 -23.905
246 HA3 GLY 39 2HA GLY 39 -2.748 -6.680 -23.440
247 H SER 40 H SER 40 -0.401 -8.699 -23.704
248 HA SER 40 HA SER 40 1.023 -7.667 -21.379
249 HB2 SER 40 1HB SER 40 0.202 -9.840 -20.613
250 HB3 SER 40 2HB SER 40 0.889 -10.620 -22.037
251 HG SER 40 HG SER 40 2.652 -10.783 -20.925
252 H TYR 41 H TYR 41 3.286 -7.612 -21.630
253 HA TYR 41 HA TYR 41 4.174 -7.191 -24.280
254 HB2 TYR 41 1HB TYR 41 5.050 -6.277 -21.956
255 HB3 TYR 41 2HB TYR 41 6.131 -7.660 -22.073
256 HD1 TYR 41 HD1 TYR 41 5.235 -4.412 -23.507
257 HD2 TYR 41 HD2 TYR 41 7.863 -7.747 -23.773
258 HE1 TYR 41 HE1 TYR 41 6.724 -3.114 -24.972
259 HE2 TYR 41 HE2 TYR 41 9.360 -6.458 -25.238
260 HH TYR 41 HH TYR 41 8.737 -3.053 -25.963
261 H HIS 42 H HIS 42 6.003 -8.274 -25.320
262 HA HIS 42 HA HIS 42 5.746 -11.173 -25.064
263 HB2 HIS 42 1HB HIS 42 6.816 -9.361 -27.215
264 HB3 HIS 42 2HB HIS 42 7.145 -11.091 -27.232
265 HD1 HIS 42 HD1 HIS 42 5.401 -9.506 -29.364
266 HD2 HIS 42 HD2 HIS 42 3.953 -11.811 -26.225
267 HE1 HIS 42 HE1 HIS 42 3.081 -10.192 -30.049
268 H CYS 43 H CYS 43 7.170 -9.883 -23.009
269 HA CYS 43 HA CYS 43 9.982 -9.998 -23.473
270 HB2 CYS 43 1HB CYS 43 8.818 -8.637 -21.681
271 HB3 CYS 43 2HB CYS 43 8.587 -10.143 -20.799
272 H1 NAG 101 H1 NAG 100 4.991 19.565 -21.378
273 H2 NAG 101 HC2 NAG 100 6.906 20.074 -19.034
274 H3 NAG 101 HC3 NAG 100 5.580 22.016 -21.015
275 H4 NAG 101 HC4 NAG 100 8.509 21.092 -20.828
276 H5 NAG 101 H5 NAG 100 6.302 20.394 -22.847
277 H61 NAG 101 1H6 NAG 100 8.560 20.736 -23.889
278 H62 NAG 101 2H6 NAG 100 9.279 19.623 -22.717
279 H81 NAG 101 3H8 NAG 100 3.558 21.126 -16.377
280 H82 NAG 101 1H8 NAG 100 2.576 20.213 -17.572
281 H83 NAG 101 2H8 NAG 100 3.333 19.354 -16.189
282 HN2 NAG 101 H2 NAG 100 4.198 21.274 -19.193
283 HO3 NAG 101 H3 NAG 100 7.099 23.493 -20.023
284 HO4 NAG 101 H4 NAG 100 8.842 22.491 -22.474
285 HO6 NAG 101 HO6 NAG 100 7.460 18.087 -23.562
286 H1 NAG 102 H1 NAG 200 12.833 -9.130 -20.490
287 H2 NAG 102 HC2 NAG 200 13.953 -11.673 -21.794
288 H3 NAG 102 HC3 NAG 200 15.348 -9.087 -20.887
289 H4 NAG 102 HC4 NAG 200 14.729 -10.096 -23.727
290 H5 NAG 102 H5 NAG 200 13.464 -7.840 -22.071
291 H61 NAG 102 1H6 NAG 200 13.783 -7.264 -24.493
292 H62 NAG 102 2H6 NAG 200 12.986 -8.773 -24.964
293 H81 NAG 102 3H8 NAG 200 13.463 -12.463 -17.248
294 H82 NAG 102 1H8 NAG 200 14.080 -14.018 -17.901
295 H83 NAG 102 2H8 NAG 200 15.200 -12.632 -17.673
296 HN2 NAG 102 H2 NAG 200 14.866 -10.679 -19.152
297 HO3 NAG 102 H3 NAG 200 17.114 -10.051 -22.081
298 HO4 NAG 102 H4 NAG 200 15.799 -8.305 -24.376
299 HO6 NAG 102 HO6 NAG 200 11.167 -7.896 -23.448
Start of MODEL 19
1 H1 LYS 1 H LYS 1 2.105 -1.253 -2.958
2 HA LYS 1 HA LYS 1 2.470 -2.077 -5.700
3 HB2 LYS 1 1HB LYS 1 2.109 0.524 -4.278
4 HB3 LYS 1 2HB LYS 1 2.813 0.540 -5.890
5 HG2 LYS 1 1HG LYS 1 0.878 -0.154 -6.895
6 HG3 LYS 1 2HG LYS 1 0.293 -0.979 -5.448
7 HD2 LYS 1 1HD LYS 1 0.214 1.452 -4.469
8 HD3 LYS 1 2HD LYS 1 0.165 1.915 -6.172
9 HE2 LYS 1 1HE LYS 1 -1.679 -0.223 -5.233
10 HE3 LYS 1 2HE LYS 1 -2.042 1.445 -4.791
11 HZ1 LYS 1 3HZ LYS 1 -1.992 2.038 -7.132
12 HZ2 LYS 1 1HZ LYS 1 -3.130 0.818 -6.852
13 HZ3 LYS 1 2HZ LYS 1 -1.640 0.439 -7.557
14 HA PRO 2 HA PRO 2 6.843 -1.892 -5.999
15 HB2 PRO 2 1HB PRO 2 7.215 -0.703 -8.410
16 HB3 PRO 2 2HB PRO 2 6.616 -2.356 -8.237
17 HG2 PRO 2 1HG PRO 2 5.088 0.169 -8.740
18 HG3 PRO 2 2HG PRO 2 4.888 -1.428 -9.485
19 HD2 PRO 2 1HD PRO 2 3.279 -0.535 -7.499
20 HD3 PRO 2 2HD PRO 2 3.688 -2.251 -7.698
21 H ALA 3 H ALA 3 8.582 -0.156 -7.031
22 HA ALA 3 HA ALA 3 8.337 2.137 -5.257
23 HB1 ALA 3 1HB ALA 3 10.697 2.519 -5.748
24 HB2 ALA 3 2HB ALA 3 10.414 0.854 -5.239
25 HB3 ALA 3 3HB ALA 3 10.663 1.224 -6.945
26 H TRP 4 H TRP 4 7.057 1.657 -8.083
27 HA TRP 4 HA TRP 4 7.936 4.183 -9.303
28 HB2 TRP 4 1HB TRP 4 6.087 2.453 -10.817
29 HB3 TRP 4 2HB TRP 4 7.543 3.289 -11.349
30 HD1 TRP 4 HD1 TRP 4 9.793 1.957 -9.750
31 HE1 TRP 4 HE1 TRP 4 10.360 -0.539 -10.022
32 HE3 TRP 4 HE3 TRP 4 5.343 0.317 -11.659
33 HZ2 TRP 4 HZ2 TRP 4 9.090 -2.891 -10.927
34 HZ3 TRP 4 HZ3 TRP 4 5.101 -2.070 -12.202
35 HH2 TRP 4 HH2 TRP 4 6.937 -3.640 -11.844
36 H CYS 5 H CYS 5 4.986 2.327 -8.576
37 HA CYS 5 HA CYS 5 3.321 4.658 -8.997
38 HB2 CYS 5 1HB CYS 5 2.438 2.021 -7.833
39 HB3 CYS 5 2HB CYS 5 1.466 3.213 -8.691
40 H TRP 6 H TRP 6 1.404 4.451 -7.071
41 HA TRP 6 HA TRP 6 2.565 4.421 -4.441
42 HB2 TRP 6 1HB TRP 6 2.894 6.778 -5.789
43 HB3 TRP 6 2HB TRP 6 1.370 7.060 -4.953
44 HD1 TRP 6 HD1 TRP 6 5.065 7.019 -4.400
45 HE1 TRP 6 HE1 TRP 6 5.586 7.480 -1.922
46 HE3 TRP 6 HE3 TRP 6 0.353 6.539 -2.476
47 HZ2 TRP 6 HZ2 TRP 6 4.186 7.622 0.524
48 HZ3 TRP 6 HZ3 TRP 6 0.029 6.852 -0.057
49 HH2 TRP 6 HH2 TRP 6 1.907 7.382 1.410
50 H TYR 7 H TYR 7 -0.156 5.417 -6.473
51 HA TYR 7 HA TYR 7 -2.032 3.865 -5.072
52 HB2 TYR 7 1HB TYR 7 -1.430 6.112 -3.631
53 HB3 TYR 7 2HB TYR 7 -2.818 6.654 -4.567
54 HD1 TYR 7 HD2 TYR 7 -1.900 3.473 -2.818
55 HD2 TYR 7 HD1 TYR 7 -4.772 6.566 -3.359
56 HE1 TYR 7 HE2 TYR 7 -3.403 2.347 -1.230
57 HE2 TYR 7 HE1 TYR 7 -6.283 5.449 -1.771
58 HH TYR 7 HH TYR 7 -6.013 2.336 -0.858
59 H THR 8 H THR 8 -4.373 5.212 -5.499
60 HA THR 8 HA THR 8 -4.413 5.369 -8.422
61 HB THR 8 HB THR 8 -6.861 5.329 -6.676
62 HG1 THR 8 HG1 THR 8 -6.180 3.427 -6.023
63 HG21 THR 8 3HG2 THR 8 -7.861 5.344 -8.667
64 HG22 THR 8 1HG2 THR 8 -7.140 3.770 -8.999
65 HG23 THR 8 2HG2 THR 8 -6.307 5.245 -9.494
66 H LEU 9 H LEU 9 -3.542 7.568 -6.575
67 HA LEU 9 HA LEU 9 -5.477 9.591 -6.450
68 HB2 LEU 9 1HB LEU 9 -2.542 9.424 -6.247
69 HB3 LEU 9 2HB LEU 9 -3.187 11.005 -6.684
70 HG LEU 9 HG LEU 9 -4.678 10.750 -4.608
71 HD11 LEU 9 1HD1 LEU 9 -4.058 9.241 -2.937
72 HD12 LEU 9 2HD1 LEU 9 -2.528 8.856 -3.723
73 HD13 LEU 9 3HD1 LEU 9 -4.044 8.280 -4.416
74 HD21 LEU 9 3HD2 LEU 9 -3.091 11.845 -3.284
75 HD22 LEU 9 1HD2 LEU 9 -2.597 12.199 -4.940
76 HD23 LEU 9 2HD2 LEU 9 -1.745 10.966 -4.011
77 H ALA 10 H ALA 10 -3.332 8.578 -9.027
78 HA ALA 10 HA ALA 10 -3.256 9.096 -11.242
79 HB1 ALA 10 1HB ALA 10 -5.226 9.553 -12.324
80 HB2 ALA 10 2HB ALA 10 -5.835 8.931 -10.789
81 HB3 ALA 10 3HB ALA 10 -5.780 10.670 -11.077
82 H MET 11 H MET 11 -1.524 10.555 -10.136
83 HA MET 11 HA MET 11 -1.932 13.333 -9.954
84 HB2 MET 11 1HB MET 11 0.684 11.998 -10.638
85 HB3 MET 11 2HB MET 11 0.442 13.531 -9.811
86 HG2 MET 11 1HG MET 11 0.603 12.455 -7.890
87 HG3 MET 11 2HG MET 11 -0.907 11.633 -8.272
88 HE1 MET 11 3HE MET 11 -0.025 8.389 -7.594
89 HE2 MET 11 1HE MET 11 0.997 9.317 -6.497
90 HE3 MET 11 2HE MET 11 -0.599 9.923 -6.939
91 H CYS 12 H CYS 12 -0.061 11.611 -12.459
92 HA CYS 12 HA CYS 12 0.169 13.694 -14.252
93 HB2 CYS 12 1HB CYS 12 0.718 12.071 -15.913
94 HB3 CYS 12 2HB CYS 12 1.298 11.439 -14.375
95 H GLY 13 H GLY 13 -0.930 14.170 -16.244
96 HA2 GLY 13 1HA GLY 13 -2.792 14.091 -17.699
97 HA3 GLY 13 2HA GLY 13 -3.670 13.170 -16.486
98 H ALA 14 H ALA 14 -2.845 15.106 -14.370
99 HA ALA 14 HA ALA 14 -4.854 17.156 -15.002
100 HB1 ALA 14 1HB ALA 14 -3.864 16.094 -12.363
101 HB2 ALA 14 2HB ALA 14 -4.955 17.470 -12.523
102 HB3 ALA 14 3HB ALA 14 -5.460 15.876 -13.082
103 H GLY 15 H GLY 15 -1.938 17.164 -15.736
104 HA2 GLY 15 1HA GLY 15 -0.757 19.219 -16.131
105 HA3 GLY 15 2HA GLY 15 -1.346 19.808 -14.584
106 H TYR 16 H TYR 16 -0.682 17.067 -13.436
107 HA TYR 16 HA TYR 16 1.717 17.697 -12.215
108 HB2 TYR 16 1HB TYR 16 0.096 15.242 -12.525
109 HB3 TYR 16 2HB TYR 16 1.781 14.994 -12.081
110 HD1 TYR 16 HD2 TYR 16 -1.402 16.533 -11.035
111 HD2 TYR 16 HD1 TYR 16 2.579 15.553 -9.898
112 HE1 TYR 16 HE2 TYR 16 -1.953 17.038 -8.692
113 HE2 TYR 16 HE1 TYR 16 2.039 16.053 -7.552
114 HH TYR 16 HH TYR 16 -1.245 16.966 -6.577
115 H ASP 17 H ASP 17 1.133 16.182 -15.295
116 HA ASP 17 HA ASP 17 4.043 16.057 -15.731
117 HB2 ASP 17 1HB ASP 17 1.952 14.112 -16.729
118 HB3 ASP 17 2HB ASP 17 3.642 14.107 -17.226
119 H SER 18 H SER 18 4.229 15.593 -18.343
120 HA SER 18 HA SER 18 3.254 18.063 -19.491
121 HB2 SER 18 1HB SER 18 5.237 15.973 -20.299
122 HB3 SER 18 2HB SER 18 4.580 17.045 -21.536
123 H GLY 19 H GLY 19 0.998 17.286 -19.285
124 HA2 GLY 19 1HA GLY 19 -0.138 15.224 -18.874
125 HA3 GLY 19 2HA GLY 19 -0.587 15.678 -20.511
126 H THR 20 H THR 20 1.745 13.784 -18.639
127 HA THR 20 HA THR 20 1.627 11.688 -20.644
128 HB THR 20 HB THR 20 3.502 13.217 -21.352
129 HG1 THR 20 HG1 THR 20 3.363 10.789 -21.629
130 HG21 THR 20 3HG2 THR 20 4.276 13.818 -19.089
131 HG22 THR 20 1HG2 THR 20 5.577 13.162 -20.081
132 HG23 THR 20 2HG2 THR 20 4.818 12.157 -18.847
133 H CYS 21 H CYS 21 1.910 9.686 -19.793
134 HA CYS 21 HA CYS 21 2.825 9.518 -16.999
135 HB2 CYS 21 1HB CYS 21 0.640 7.797 -18.173
136 HB3 CYS 21 2HB CYS 21 1.113 7.935 -16.482
137 H ASP 22 H ASP 22 2.960 6.925 -16.540
138 HA ASP 22 HA ASP 22 4.153 5.492 -18.748
139 HB2 ASP 22 1HB ASP 22 5.783 6.950 -16.834
140 HB3 ASP 22 2HB ASP 22 6.150 5.227 -16.821
141 H TYR 23 H TYR 23 4.681 5.244 -15.246
142 HA TYR 23 HA TYR 23 4.151 2.474 -15.180
143 HB2 TYR 23 1HB TYR 23 3.960 4.316 -12.801
144 HB3 TYR 23 2HB TYR 23 4.428 2.619 -12.827
145 HD1 TYR 23 HD2 TYR 23 6.496 2.306 -14.683
146 HD2 TYR 23 HD1 TYR 23 5.707 5.704 -12.247
147 HE1 TYR 23 HE2 TYR 23 8.863 2.956 -14.835
148 HE2 TYR 23 HE1 TYR 23 8.072 6.365 -12.393
149 HH TYR 23 HH TYR 23 10.201 5.488 -12.885
150 H MET 24 H MET 24 2.108 5.259 -14.948
151 HA MET 24 HA MET 24 -0.086 4.121 -13.602
152 HB2 MET 24 1HB MET 24 0.099 6.382 -15.591
153 HB3 MET 24 2HB MET 24 -1.398 5.942 -14.780
154 HG2 MET 24 1HG MET 24 -0.708 7.552 -13.358
155 HG3 MET 24 2HG MET 24 0.143 6.189 -12.636
156 HE1 MET 24 3HE MET 24 3.200 7.211 -12.024
157 HE2 MET 24 1HE MET 24 2.176 5.815 -12.364
158 HE3 MET 24 2HE MET 24 3.502 6.222 -13.454
159 H TYR 25 H TYR 25 0.712 4.332 -17.049
160 HA TYR 25 HA TYR 25 -1.672 3.109 -17.969
161 HB2 TYR 25 1HB TYR 25 1.019 3.641 -19.186
162 HB3 TYR 25 2HB TYR 25 -0.159 2.653 -20.043
163 HD1 TYR 25 HD1 TYR 25 -0.409 5.803 -18.038
164 HD2 TYR 25 HD2 TYR 25 -1.140 3.853 -21.748
165 HE1 TYR 25 HE1 TYR 25 -1.489 7.842 -18.890
166 HE2 TYR 25 HE2 TYR 25 -2.220 5.887 -22.611
167 HH TYR 25 HH TYR 25 -3.457 7.954 -21.434
168 H SER 26 H SER 26 0.926 1.856 -16.277
169 HA SER 26 HA SER 26 0.876 -0.781 -17.481
170 HB2 SER 26 1HB SER 26 2.898 0.467 -16.349
171 HB3 SER 26 2HB SER 26 2.219 -0.204 -14.865
172 HG SER 26 HG SER 26 3.659 -1.690 -15.651
173 H HIS 27 H HIS 27 -1.601 0.211 -16.384
174 HA HIS 27 HA HIS 27 -3.345 -0.443 -15.074
175 HB2 HIS 27 1HB HIS 27 -2.535 -2.634 -16.263
176 HB3 HIS 27 2HB HIS 27 -2.009 -3.092 -14.645
177 HD1 HIS 27 HD1 HIS 27 -3.789 -3.831 -13.002
178 HD2 HIS 27 HD2 HIS 27 -5.363 -2.356 -16.553
179 HE1 HIS 27 HE1 HIS 27 -6.241 -4.385 -12.932
180 H CYS 28 H CYS 28 -1.578 1.049 -13.676
181 HA CYS 28 HA CYS 28 -1.385 -0.317 -11.072
182 HB2 CYS 28 1HB CYS 28 0.704 0.711 -12.416
183 HB3 CYS 28 2HB CYS 28 0.188 2.154 -11.550
184 H PHE 29 H PHE 29 -2.759 2.274 -12.831
185 HA PHE 29 HA PHE 29 -3.786 3.448 -10.331
186 HB2 PHE 29 1HB PHE 29 -2.976 4.735 -12.920
187 HB3 PHE 29 2HB PHE 29 -4.156 5.514 -11.871
188 HD1 PHE 29 HD2 PHE 29 -0.911 3.737 -11.357
189 HD2 PHE 29 HD1 PHE 29 -3.261 7.209 -10.627
190 HE1 PHE 29 HE2 PHE 29 0.919 4.688 -10.016
191 HE2 PHE 29 HE1 PHE 29 -1.435 8.167 -9.285
192 HZ PHE 29 HZ PHE 29 0.659 6.907 -8.978
193 H GLY 30 H GLY 30 -4.514 2.204 -13.495
194 HA2 GLY 30 1HA GLY 30 -6.530 1.353 -14.261
195 HA3 GLY 30 2HA GLY 30 -7.291 1.907 -12.777
196 H VAL 31 H VAL 31 -5.421 4.039 -14.814
197 HA VAL 31 HA VAL 31 -7.809 5.655 -15.254
198 HB VAL 31 HB VAL 31 -6.207 7.355 -16.129
199 HG11 VAL 31 1HG1 VAL 31 -6.152 6.261 -13.375
200 HG12 VAL 31 2HG1 VAL 31 -4.950 7.486 -13.786
201 HG13 VAL 31 3HG1 VAL 31 -6.669 7.843 -13.957
202 HG21 VAL 31 3HG2 VAL 31 -3.827 7.031 -15.846
203 HG22 VAL 31 1HG2 VAL 31 -4.096 5.418 -15.185
204 HG23 VAL 31 2HG2 VAL 31 -4.477 5.754 -16.874
205 H LYS 32 H LYS 32 -5.508 3.708 -17.010
206 HA LYS 32 HA LYS 32 -5.947 4.599 -19.610
207 HB2 LYS 32 1HB LYS 32 -4.351 2.737 -18.560
208 HB3 LYS 32 2HB LYS 32 -5.622 1.675 -19.153
209 HG2 LYS 32 1HG LYS 32 -5.264 3.149 -21.345
210 HG3 LYS 32 2HG LYS 32 -3.651 3.297 -20.643
211 HD2 LYS 32 1HD LYS 32 -5.038 0.650 -21.015
212 HD3 LYS 32 2HD LYS 32 -3.999 1.370 -22.248
213 HE2 LYS 32 1HE LYS 32 -2.183 1.474 -20.529
214 HE3 LYS 32 2HE LYS 32 -3.230 0.555 -19.449
215 HZ1 LYS 32 3HZ LYS 32 -3.243 -0.896 -21.745
216 HZ2 LYS 32 1HZ LYS 32 -2.309 -1.230 -20.375
217 HZ3 LYS 32 2HZ LYS 32 -1.644 -0.351 -21.657
218 H HIS 33 H HIS 33 -7.456 4.191 -21.160
219 HA HIS 33 HA HIS 33 -9.979 3.072 -20.242
220 HB2 HIS 33 1HB HIS 33 -9.187 4.585 -22.731
221 HB3 HIS 33 2HB HIS 33 -10.795 3.908 -22.495
222 HD1 HIS 33 HD1 HIS 33 -9.542 7.033 -22.503
223 HD2 HIS 33 HD2 HIS 33 -11.412 4.892 -19.473
224 HE1 HIS 33 HE1 HIS 33 -10.443 8.762 -20.915
225 H SER 34 H SER 34 -11.177 2.002 -22.339
226 HA SER 34 HA SER 34 -10.043 -0.567 -22.549
227 HB2 SER 34 1HB SER 34 -12.244 0.745 -24.159
228 HB3 SER 34 2HB SER 34 -11.846 -0.971 -24.235
229 HG SER 34 HG SER 34 -12.798 -1.276 -22.376
230 H SER 35 H SER 35 -8.846 -1.553 -24.097
231 HA SER 35 HA SER 35 -7.433 0.153 -25.949
232 HB2 SER 35 1HB SER 35 -6.237 -2.021 -26.518
233 HB3 SER 35 2HB SER 35 -6.092 -1.478 -24.846
234 HG SER 35 HG SER 35 -6.723 -3.475 -24.498
235 H GLY 36 H GLY 36 -9.024 0.770 -27.441
236 HA2 GLY 36 1HA GLY 36 -10.101 -1.407 -29.116
237 HA3 GLY 36 2HA GLY 36 -10.839 0.178 -28.941
238 H GLY 37 H GLY 37 -8.425 -1.703 -30.564
239 HA2 GLY 37 1HA GLY 37 -7.926 -1.107 -32.867
240 HA3 GLY 37 2HA GLY 37 -7.967 0.580 -32.378
241 H GLY 38 H GLY 38 -5.843 -0.680 -33.797
242 HA2 GLY 38 1HA GLY 38 -3.578 0.340 -33.009
243 HA3 GLY 38 2HA GLY 38 -3.715 -0.916 -31.788
244 H GLY 39 H GLY 39 -1.540 -1.327 -32.950
245 HA2 GLY 39 1HA GLY 39 -1.752 -3.744 -34.357
246 HA3 GLY 39 2HA GLY 39 -1.487 -2.458 -35.525
247 H SER 40 H SER 40 0.449 -3.993 -35.797
248 HA SER 40 HA SER 40 2.700 -2.738 -34.466
249 HB2 SER 40 1HB SER 40 1.947 -5.610 -34.072
250 HB3 SER 40 2HB SER 40 3.652 -5.165 -34.112
251 HG SER 40 HG SER 40 2.904 -5.068 -31.995
252 H TYR 41 H TYR 41 4.786 -3.412 -35.444
253 HA TYR 41 HA TYR 41 4.416 -4.204 -38.259
254 HB2 TYR 41 1HB TYR 41 5.164 -1.756 -37.562
255 HB3 TYR 41 2HB TYR 41 6.743 -2.524 -37.439
256 HD1 TYR 41 HD1 TYR 41 4.054 -1.521 -39.716
257 HD2 TYR 41 HD2 TYR 41 7.888 -3.342 -39.415
258 HE1 TYR 41 HE1 TYR 41 4.345 -1.297 -42.148
259 HE2 TYR 41 HE2 TYR 41 8.190 -3.123 -41.846
260 HH TYR 41 HH TYR 41 5.604 -1.877 -43.913
261 H HIS 42 H HIS 42 6.315 -5.207 -39.271
262 HA HIS 42 HA HIS 42 7.585 -7.062 -37.405
263 HB2 HIS 42 1HB HIS 42 6.351 -7.651 -39.666
264 HB3 HIS 42 2HB HIS 42 7.921 -7.268 -40.368
265 HD1 HIS 42 HD1 HIS 42 7.838 -9.884 -41.030
266 HD2 HIS 42 HD2 HIS 42 8.295 -9.007 -36.994
267 HE1 HIS 42 HE1 HIS 42 8.681 -12.004 -39.972
268 H CYS 43 H CYS 43 8.523 -4.381 -37.416
269 HA CYS 43 HA CYS 43 11.314 -4.881 -38.090
270 HB2 CYS 43 1HB CYS 43 9.716 -2.547 -39.146
271 HB3 CYS 43 2HB CYS 43 11.475 -2.551 -39.082
272 H1 NAG 101 H1 NAG 100 5.216 19.376 -21.385
273 H2 NAG 101 HC2 NAG 100 7.255 20.054 -19.192
274 H3 NAG 101 HC3 NAG 100 5.791 21.850 -21.213
275 H4 NAG 101 HC4 NAG 100 8.738 20.971 -21.137
276 H5 NAG 101 H5 NAG 100 6.430 20.122 -22.977
277 H61 NAG 101 1H6 NAG 100 8.619 20.419 -24.168
278 H62 NAG 101 2H6 NAG 100 9.419 19.391 -22.970
279 H81 NAG 101 3H8 NAG 100 4.002 21.276 -16.493
280 H82 NAG 101 1H8 NAG 100 3.005 20.151 -17.475
281 H83 NAG 101 2H8 NAG 100 3.913 19.538 -16.052
282 HN2 NAG 101 H2 NAG 100 4.526 21.214 -19.271
283 HO3 NAG 101 H3 NAG 100 7.344 23.404 -20.406
284 HO4 NAG 101 H4 NAG 100 8.957 22.264 -22.885
285 HO6 NAG 101 HO6 NAG 100 7.577 17.786 -23.609
286 H1 NAG 102 H1 NAG 200 12.374 -3.194 -41.430
287 H2 NAG 102 HC2 NAG 200 11.856 -3.216 -44.456
288 H3 NAG 102 HC3 NAG 200 14.032 -1.821 -42.791
289 H4 NAG 102 HC4 NAG 200 11.584 -0.629 -44.224
290 H5 NAG 102 H5 NAG 200 12.149 -1.078 -41.239
291 H61 NAG 102 1H6 NAG 200 11.012 1.103 -41.739
292 H62 NAG 102 2H6 NAG 200 9.791 0.255 -42.700
293 H81 NAG 102 3H8 NAG 200 13.603 -7.518 -44.220
294 H82 NAG 102 1H8 NAG 200 14.681 -6.518 -45.251
295 H83 NAG 102 2H8 NAG 200 14.851 -6.470 -43.464
296 HN2 NAG 102 H2 NAG 200 14.399 -4.152 -43.248
297 HO3 NAG 102 H3 NAG 200 14.412 -0.764 -44.843
298 HO4 NAG 102 H4 NAG 200 12.377 1.291 -43.545
299 HO6 NAG 102 HO6 NAG 200 9.552 -1.104 -40.584
Start of MODEL 20
1 H1 LYS 1 H LYS 1 2.350 -0.932 -2.681
2 HA LYS 1 HA LYS 1 2.260 -1.858 -5.476
3 HB2 LYS 1 1HB LYS 1 1.945 0.828 -4.219
4 HB3 LYS 1 2HB LYS 1 2.676 0.742 -5.816
5 HG2 LYS 1 1HG LYS 1 0.641 -0.628 -6.495
6 HG3 LYS 1 2HG LYS 1 -0.082 -0.086 -4.979
7 HD2 LYS 1 1HD LYS 1 0.801 2.268 -5.953
8 HD3 LYS 1 2HD LYS 1 0.475 1.410 -7.461
9 HE2 LYS 1 1HE LYS 1 -1.445 1.945 -5.202
10 HE3 LYS 1 2HE LYS 1 -1.502 2.608 -6.834
11 HZ1 LYS 1 3HZ LYS 1 -2.797 0.906 -7.362
12 HZ2 LYS 1 1HZ LYS 1 -2.555 0.161 -5.862
13 HZ3 LYS 1 2HZ LYS 1 -1.480 -0.131 -7.135
14 HA PRO 2 HA PRO 2 6.636 -1.796 -5.796
15 HB2 PRO 2 1HB PRO 2 7.028 -0.767 -8.277
16 HB3 PRO 2 2HB PRO 2 6.390 -2.392 -8.001
17 HG2 PRO 2 1HG PRO 2 4.921 0.133 -8.656
18 HG3 PRO 2 2HG PRO 2 4.680 -1.501 -9.301
19 HD2 PRO 2 1HD PRO 2 3.100 -0.448 -7.370
20 HD3 PRO 2 2HD PRO 2 3.467 -2.183 -7.463
21 H ALA 3 H ALA 3 8.415 -0.173 -6.928
22 HA ALA 3 HA ALA 3 8.228 2.233 -5.303
23 HB1 ALA 3 1HB ALA 3 10.557 2.460 -5.582
24 HB2 ALA 3 2HB ALA 3 10.269 0.731 -5.383
25 HB3 ALA 3 3HB ALA 3 10.572 1.396 -6.988
26 H TRP 4 H TRP 4 6.956 1.593 -8.112
27 HA TRP 4 HA TRP 4 7.893 4.014 -9.488
28 HB2 TRP 4 1HB TRP 4 5.976 2.244 -10.869
29 HB3 TRP 4 2HB TRP 4 7.448 3.004 -11.470
30 HD1 TRP 4 HD1 TRP 4 9.676 1.718 -9.798
31 HE1 TRP 4 HE1 TRP 4 10.176 -0.804 -9.916
32 HE3 TRP 4 HE3 TRP 4 5.172 0.080 -11.577
33 HZ2 TRP 4 HZ2 TRP 4 8.838 -3.174 -10.664
34 HZ3 TRP 4 HZ3 TRP 4 4.864 -2.330 -11.967
35 HH2 TRP 4 HH2 TRP 4 6.660 -3.921 -11.520
36 H CYS 5 H CYS 5 4.926 2.336 -8.492
37 HA CYS 5 HA CYS 5 3.342 4.713 -9.065
38 HB2 CYS 5 1HB CYS 5 2.324 2.153 -7.846
39 HB3 CYS 5 2HB CYS 5 1.425 3.360 -8.760
40 H TRP 6 H TRP 6 1.409 4.641 -7.152
41 HA TRP 6 HA TRP 6 2.605 4.657 -4.521
42 HB2 TRP 6 1HB TRP 6 2.865 6.976 -5.948
43 HB3 TRP 6 2HB TRP 6 1.348 7.255 -5.097
44 HD1 TRP 6 HD1 TRP 6 5.019 7.453 -4.626
45 HE1 TRP 6 HE1 TRP 6 5.581 7.946 -2.163
46 HE3 TRP 6 HE3 TRP 6 0.426 6.587 -2.555
47 HZ2 TRP 6 HZ2 TRP 6 4.254 7.965 0.328
48 HZ3 TRP 6 HZ3 TRP 6 0.156 6.864 -0.125
49 HH2 TRP 6 HH2 TRP 6 2.032 7.539 1.285
50 H TYR 7 H TYR 7 -0.168 5.539 -6.536
51 HA TYR 7 HA TYR 7 -1.991 3.992 -5.060
52 HB2 TYR 7 1HB TYR 7 -1.406 6.295 -3.697
53 HB3 TYR 7 2HB TYR 7 -2.829 6.774 -4.616
54 HD1 TYR 7 HD2 TYR 7 -1.729 3.762 -2.682
55 HD2 TYR 7 HD1 TYR 7 -4.814 6.583 -3.474
56 HE1 TYR 7 HE2 TYR 7 -3.167 2.646 -1.028
57 HE2 TYR 7 HE1 TYR 7 -6.259 5.476 -1.821
58 HH TYR 7 HH TYR 7 -5.505 3.801 0.454
59 H THR 8 H THR 8 -4.359 5.323 -5.476
60 HA THR 8 HA THR 8 -4.445 5.409 -8.406
61 HB THR 8 HB THR 8 -6.870 5.306 -6.631
62 HG1 THR 8 HG1 THR 8 -6.665 3.117 -6.487
63 HG21 THR 8 3HG2 THR 8 -7.831 5.358 -8.651
64 HG22 THR 8 1HG2 THR 8 -7.226 3.716 -8.869
65 HG23 THR 8 2HG2 THR 8 -6.294 5.086 -9.472
66 H LEU 9 H LEU 9 -3.601 7.663 -6.649
67 HA LEU 9 HA LEU 9 -5.667 9.611 -6.612
68 HB2 LEU 9 1HB LEU 9 -2.768 9.534 -6.099
69 HB3 LEU 9 2HB LEU 9 -3.409 11.096 -6.603
70 HG LEU 9 HG LEU 9 -5.106 10.792 -4.699
71 HD11 LEU 9 1HD1 LEU 9 -3.002 8.876 -3.715
72 HD12 LEU 9 2HD1 LEU 9 -4.558 8.376 -4.376
73 HD13 LEU 9 3HD1 LEU 9 -4.495 9.346 -2.904
74 HD21 LEU 9 3HD2 LEU 9 -3.553 11.733 -3.081
75 HD22 LEU 9 1HD2 LEU 9 -3.269 12.414 -4.683
76 HD23 LEU 9 2HD2 LEU 9 -2.185 11.177 -4.046
77 H ALA 10 H ALA 10 -3.419 8.536 -9.018
78 HA ALA 10 HA ALA 10 -3.189 9.036 -11.228
79 HB1 ALA 10 1HB ALA 10 -5.033 9.752 -12.415
80 HB2 ALA 10 2HB ALA 10 -5.774 9.100 -10.952
81 HB3 ALA 10 3HB ALA 10 -5.566 10.842 -11.134
82 H MET 11 H MET 11 -1.392 10.318 -9.977
83 HA MET 11 HA MET 11 -1.423 13.060 -9.671
84 HB2 MET 11 1HB MET 11 0.898 11.390 -10.653
85 HB3 MET 11 2HB MET 11 1.010 12.984 -9.920
86 HG2 MET 11 1HG MET 11 -0.248 10.705 -8.449
87 HG3 MET 11 2HG MET 11 1.502 10.913 -8.483
88 HE1 MET 11 3HE MET 11 -0.439 11.543 -5.293
89 HE2 MET 11 1HE MET 11 -1.617 12.640 -6.015
90 HE3 MET 11 2HE MET 11 -1.304 11.071 -6.756
91 H CYS 12 H CYS 12 0.157 11.498 -12.458
92 HA CYS 12 HA CYS 12 0.237 13.786 -14.050
93 HB2 CYS 12 1HB CYS 12 0.766 12.316 -15.893
94 HB3 CYS 12 2HB CYS 12 1.561 11.713 -14.443
95 H GLY 13 H GLY 13 -0.944 14.254 -16.034
96 HA2 GLY 13 1HA GLY 13 -2.855 14.147 -17.412
97 HA3 GLY 13 2HA GLY 13 -3.629 13.112 -16.221
98 H ALA 14 H ALA 14 -2.836 14.991 -14.037
99 HA ALA 14 HA ALA 14 -5.022 16.904 -14.458
100 HB1 ALA 14 1HB ALA 14 -3.741 15.852 -11.944
101 HB2 ALA 14 2HB ALA 14 -4.938 17.147 -11.965
102 HB3 ALA 14 3HB ALA 14 -5.371 15.537 -12.539
103 H GLY 15 H GLY 15 -2.171 17.167 -15.402
104 HA2 GLY 15 1HA GLY 15 -1.099 19.240 -15.835
105 HA3 GLY 15 2HA GLY 15 -1.771 19.869 -14.338
106 H TYR 16 H TYR 16 -0.509 16.768 -13.944
107 HA TYR 16 HA TYR 16 1.714 17.829 -12.411
108 HB2 TYR 16 1HB TYR 16 0.243 15.267 -12.553
109 HB3 TYR 16 2HB TYR 16 1.954 15.142 -12.155
110 HD1 TYR 16 HD2 TYR 16 -0.880 17.397 -11.201
111 HD2 TYR 16 HD1 TYR 16 2.379 14.991 -9.902
112 HE1 TYR 16 HE2 TYR 16 -1.387 17.982 -8.866
113 HE2 TYR 16 HE1 TYR 16 1.881 15.568 -7.564
114 HH TYR 16 HH TYR 16 0.460 16.585 -6.180
115 H ASP 17 H ASP 17 1.150 16.118 -15.393
116 HA ASP 17 HA ASP 17 4.056 16.109 -15.886
117 HB2 ASP 17 1HB ASP 17 2.001 14.100 -16.832
118 HB3 ASP 17 2HB ASP 17 3.686 14.130 -17.346
119 H SER 18 H SER 18 4.220 15.618 -18.492
120 HA SER 18 HA SER 18 3.165 18.046 -19.659
121 HB2 SER 18 1HB SER 18 5.059 15.924 -20.678
122 HB3 SER 18 2HB SER 18 4.530 17.288 -21.663
123 H GLY 19 H GLY 19 0.933 17.210 -19.407
124 HA2 GLY 19 1HA GLY 19 -0.140 15.124 -18.954
125 HA3 GLY 19 2HA GLY 19 -0.625 15.544 -20.591
126 H THR 20 H THR 20 1.785 13.739 -18.729
127 HA THR 20 HA THR 20 1.698 11.616 -20.707
128 HB THR 20 HB THR 20 3.523 13.187 -21.454
129 HG1 THR 20 HG1 THR 20 3.519 10.906 -21.936
130 HG21 THR 20 3HG2 THR 20 4.312 13.836 -19.214
131 HG22 THR 20 1HG2 THR 20 5.617 13.191 -20.209
132 HG23 THR 20 2HG2 THR 20 4.890 12.190 -18.952
133 H CYS 21 H CYS 21 2.052 9.632 -19.839
134 HA CYS 21 HA CYS 21 3.044 9.511 -17.070
135 HB2 CYS 21 1HB CYS 21 0.804 7.782 -18.122
136 HB3 CYS 21 2HB CYS 21 1.346 7.949 -16.455
137 H ASP 22 H ASP 22 3.089 6.871 -16.618
138 HA ASP 22 HA ASP 22 4.246 5.442 -18.845
139 HB2 ASP 22 1HB ASP 22 5.920 6.857 -16.944
140 HB3 ASP 22 2HB ASP 22 6.247 5.126 -16.921
141 H TYR 23 H TYR 23 4.767 5.164 -15.342
142 HA TYR 23 HA TYR 23 4.212 2.401 -15.288
143 HB2 TYR 23 1HB TYR 23 4.016 4.248 -12.912
144 HB3 TYR 23 2HB TYR 23 4.450 2.542 -12.926
145 HD1 TYR 23 HD2 TYR 23 6.524 2.214 -14.803
146 HD2 TYR 23 HD1 TYR 23 5.794 5.569 -12.290
147 HE1 TYR 23 HE2 TYR 23 8.905 2.817 -14.927
148 HE2 TYR 23 HE1 TYR 23 8.173 6.182 -12.407
149 HH TYR 23 HH TYR 23 10.219 5.197 -14.622
150 H MET 24 H MET 24 2.185 5.196 -15.082
151 HA MET 24 HA MET 24 -0.032 4.076 -13.758
152 HB2 MET 24 1HB MET 24 0.236 6.346 -15.722
153 HB3 MET 24 2HB MET 24 -1.313 5.896 -15.020
154 HG2 MET 24 1HG MET 24 -0.684 7.526 -13.570
155 HG3 MET 24 2HG MET 24 0.015 6.123 -12.766
156 HE1 MET 24 3HE MET 24 3.648 6.371 -13.003
157 HE2 MET 24 1HE MET 24 2.618 6.823 -11.644
158 HE3 MET 24 2HE MET 24 2.185 5.447 -12.658
159 H TYR 25 H TYR 25 0.817 4.256 -17.194
160 HA TYR 25 HA TYR 25 -1.564 3.058 -18.148
161 HB2 TYR 25 1HB TYR 25 1.165 3.506 -19.320
162 HB3 TYR 25 2HB TYR 25 -0.038 2.562 -20.191
163 HD1 TYR 25 HD1 TYR 25 -0.056 5.766 -18.252
164 HD2 TYR 25 HD2 TYR 25 -1.088 3.751 -21.855
165 HE1 TYR 25 HE1 TYR 25 -1.044 7.843 -19.123
166 HE2 TYR 25 HE2 TYR 25 -2.078 5.823 -22.736
167 HH TYR 25 HH TYR 25 -1.549 8.839 -21.374
168 H SER 26 H SER 26 0.986 1.780 -16.396
169 HA SER 26 HA SER 26 0.905 -0.870 -17.568
170 HB2 SER 26 1HB SER 26 3.001 0.150 -16.604
171 HB3 SER 26 2HB SER 26 2.269 -0.015 -15.008
172 HG SER 26 HG SER 26 2.776 -2.130 -16.834
173 H HIS 27 H HIS 27 -1.555 0.234 -16.468
174 HA HIS 27 HA HIS 27 -3.325 -0.366 -15.167
175 HB2 HIS 27 1HB HIS 27 -1.839 -2.933 -15.562
176 HB3 HIS 27 2HB HIS 27 -3.219 -2.902 -14.469
177 HD1 HIS 27 HD1 HIS 27 -2.343 -2.345 -18.096
178 HD2 HIS 27 HD2 HIS 27 -5.683 -2.913 -15.692
179 HE1 HIS 27 HE1 HIS 27 -4.268 -2.663 -19.683
180 H CYS 28 H CYS 28 -1.614 1.075 -13.730
181 HA CYS 28 HA CYS 28 -1.384 -0.351 -11.160
182 HB2 CYS 28 1HB CYS 28 0.679 0.752 -12.495
183 HB3 CYS 28 2HB CYS 28 0.149 2.155 -11.573
184 H PHE 29 H PHE 29 -2.822 2.245 -12.852
185 HA PHE 29 HA PHE 29 -3.823 3.373 -10.320
186 HB2 PHE 29 1HB PHE 29 -3.132 4.687 -12.931
187 HB3 PHE 29 2HB PHE 29 -4.292 5.432 -11.837
188 HD1 PHE 29 HD2 PHE 29 -0.997 3.724 -11.424
189 HD2 PHE 29 HD1 PHE 29 -3.387 7.159 -10.644
190 HE1 PHE 29 HE2 PHE 29 0.855 4.718 -10.144
191 HE2 PHE 29 HE1 PHE 29 -1.539 8.158 -9.365
192 HZ PHE 29 HZ PHE 29 0.585 6.937 -9.112
193 H GLY 30 H GLY 30 -4.607 2.074 -13.439
194 HA2 GLY 30 1HA GLY 30 -6.676 1.024 -13.906
195 HA3 GLY 30 2HA GLY 30 -7.428 2.004 -12.656
196 H VAL 31 H VAL 31 -5.332 3.376 -15.090
197 HA VAL 31 HA VAL 31 -7.633 4.866 -16.141
198 HB VAL 31 HB VAL 31 -5.965 6.433 -17.070
199 HG11 VAL 31 1HG1 VAL 31 -5.513 7.542 -15.054
200 HG12 VAL 31 2HG1 VAL 31 -6.958 6.585 -14.720
201 HG13 VAL 31 3HG1 VAL 31 -5.381 6.033 -14.152
202 HG21 VAL 31 3HG2 VAL 31 -3.613 6.243 -16.327
203 HG22 VAL 31 1HG2 VAL 31 -3.981 4.655 -15.654
204 HG23 VAL 31 2HG2 VAL 31 -4.103 4.927 -17.393
205 H LYS 32 H LYS 32 -4.957 2.801 -17.094
206 HA LYS 32 HA LYS 32 -5.030 3.062 -19.846
207 HB2 LYS 32 1HB LYS 32 -3.291 1.759 -18.920
208 HB3 LYS 32 2HB LYS 32 -4.419 0.708 -18.073
209 HG2 LYS 32 1HG LYS 32 -3.412 -0.428 -19.969
210 HG3 LYS 32 2HG LYS 32 -5.152 -0.236 -20.197
211 HD2 LYS 32 1HD LYS 32 -4.090 0.287 -22.270
212 HD3 LYS 32 2HD LYS 32 -4.659 1.803 -21.567
213 HE2 LYS 32 1HE LYS 32 -2.522 2.508 -21.034
214 HE3 LYS 32 2HE LYS 32 -1.872 0.870 -21.030
215 HZ1 LYS 32 3HZ LYS 32 -2.448 2.626 -23.323
216 HZ2 LYS 32 1HZ LYS 32 -2.433 0.947 -23.529
217 HZ3 LYS 32 2HZ LYS 32 -1.046 1.744 -22.979
218 H HIS 33 H HIS 33 -6.519 2.668 -21.339
219 HA HIS 33 HA HIS 33 -9.074 1.649 -20.701
220 HB2 HIS 33 1HB HIS 33 -7.688 2.299 -23.290
221 HB3 HIS 33 2HB HIS 33 -9.296 1.580 -23.276
222 HD1 HIS 33 HD1 HIS 33 -7.487 4.762 -22.672
223 HD2 HIS 33 HD2 HIS 33 -11.343 3.267 -22.270
224 HE1 HIS 33 HE1 HIS 33 -8.956 6.774 -22.328
225 H SER 34 H SER 34 -10.045 -0.139 -22.204
226 HA SER 34 HA SER 34 -8.923 -2.587 -21.409
227 HB2 SER 34 1HB SER 34 -11.358 -2.027 -22.104
228 HB3 SER 34 2HB SER 34 -10.802 -2.350 -23.747
229 HG SER 34 HG SER 34 -11.202 -4.350 -23.241
230 H SER 35 H SER 35 -9.197 -1.240 -24.703
231 HA SER 35 HA SER 35 -7.306 -3.161 -25.728
232 HB2 SER 35 1HB SER 35 -7.592 -1.680 -27.844
233 HB3 SER 35 2HB SER 35 -8.969 -2.632 -27.290
234 HG SER 35 HG SER 35 -8.499 0.127 -26.815
235 H GLY 36 H GLY 36 -5.327 -2.797 -24.788
236 HA2 GLY 36 1HA GLY 36 -3.989 -0.316 -25.635
237 HA3 GLY 36 2HA GLY 36 -3.883 -0.825 -23.956
238 H GLY 37 H GLY 37 -2.799 -2.833 -23.472
239 HA2 GLY 37 1HA GLY 37 -1.578 -4.723 -24.726
240 HA3 GLY 37 2HA GLY 37 -0.689 -3.390 -25.449
241 H GLY 38 H GLY 38 1.201 -4.479 -24.547
242 HA2 GLY 38 1HA GLY 38 2.937 -3.996 -23.015
243 HA3 GLY 38 2HA GLY 38 1.730 -3.483 -21.845
244 H GLY 39 H GLY 39 3.780 -5.110 -21.049
245 HA2 GLY 39 1HA GLY 39 2.291 -7.472 -20.221
246 HA3 GLY 39 2HA GLY 39 3.764 -7.772 -21.131
247 H SER 40 H SER 40 2.414 -6.776 -18.105
248 HA SER 40 HA SER 40 5.052 -7.074 -16.872
249 HB2 SER 40 1HB SER 40 4.955 -4.719 -16.983
250 HB3 SER 40 2HB SER 40 3.234 -4.686 -16.598
251 HG SER 40 HG SER 40 5.387 -5.317 -14.866
252 H TYR 41 H TYR 41 5.028 -7.891 -14.791
253 HA TYR 41 HA TYR 41 2.628 -9.305 -14.055
254 HB2 TYR 41 1HB TYR 41 5.158 -10.030 -13.844
255 HB3 TYR 41 2HB TYR 41 5.040 -9.212 -12.291
256 HD1 TYR 41 HD2 TYR 41 3.634 -10.104 -10.516
257 HD2 TYR 41 HD1 TYR 41 3.942 -12.088 -14.267
258 HE1 TYR 41 HE2 TYR 41 2.623 -12.116 -9.528
259 HE2 TYR 41 HE1 TYR 41 2.931 -14.106 -13.290
260 HH TYR 41 HH TYR 41 1.785 -14.908 -11.498
261 H HIS 42 H HIS 42 1.731 -9.243 -11.874
262 HA HIS 42 HA HIS 42 1.545 -6.488 -10.920
263 HB2 HIS 42 1HB HIS 42 -0.154 -8.941 -10.495
264 HB3 HIS 42 2HB HIS 42 -0.377 -7.476 -9.543
265 HD1 HIS 42 HD1 HIS 42 -0.794 -5.244 -11.129
266 HD2 HIS 42 HD2 HIS 42 -1.623 -8.973 -12.763
267 HE1 HIS 42 HE1 HIS 42 -2.311 -4.799 -13.084
268 H CYS 43 H CYS 43 3.943 -7.826 -10.323
269 HA CYS 43 HA CYS 43 4.070 -9.106 -7.863
270 HB2 CYS 43 1HB CYS 43 5.915 -8.556 -9.665
271 HB3 CYS 43 2HB CYS 43 6.214 -7.165 -8.627
272 H1 NAG 101 H1 NAG 100 5.583 19.394 -21.197
273 H2 NAG 101 HC2 NAG 100 7.384 19.490 -18.714
274 H3 NAG 101 HC3 NAG 100 6.421 21.722 -20.596
275 H4 NAG 101 HC4 NAG 100 9.207 20.446 -20.322
276 H5 NAG 101 H5 NAG 100 7.073 20.172 -22.514
277 H61 NAG 101 1H6 NAG 100 9.419 20.323 -23.395
278 H62 NAG 101 2H6 NAG 100 9.927 19.045 -22.281
279 H81 NAG 101 3H8 NAG 100 3.991 20.753 -16.213
280 H82 NAG 101 1H8 NAG 100 2.997 19.977 -17.491
281 H83 NAG 101 2H8 NAG 100 3.600 19.003 -16.109
282 HN2 NAG 101 H2 NAG 100 4.846 21.011 -18.925
283 HO3 NAG 101 H3 NAG 100 8.029 22.927 -19.399
284 HO4 NAG 101 H4 NAG 100 9.805 21.917 -21.823
285 HO6 NAG 101 HO6 NAG 100 8.007 17.806 -23.354
286 H1 NAG 102 H1 NAG 200 7.902 -7.930 -6.420
287 H2 NAG 102 HC2 NAG 200 9.446 -9.941 -4.691
288 H3 NAG 102 HC3 NAG 200 9.787 -6.907 -5.047
289 H4 NAG 102 HC4 NAG 200 11.540 -9.217 -6.075
290 H5 NAG 102 H5 NAG 200 9.613 -7.339 -7.555
291 H61 NAG 102 1H6 NAG 200 11.734 -7.812 -8.811
292 H62 NAG 102 2H6 NAG 200 11.500 -9.549 -8.566
293 H81 NAG 102 3H8 NAG 200 6.230 -8.055 -2.136
294 H82 NAG 102 1H8 NAG 200 5.607 -9.737 -2.068
295 H83 NAG 102 2H8 NAG 200 7.013 -9.259 -1.058
296 HN2 NAG 102 H2 NAG 200 8.030 -7.594 -3.558
297 HO3 NAG 102 H3 NAG 200 11.755 -7.355 -3.864
298 HO4 NAG 102 H4 NAG 200 12.834 -7.627 -6.832
299 HO6 NAG 102 HO6 NAG 200 9.243 -9.050 -9.582