NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
638526 |
5zyx   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 5.168 -2.059 -0.847
2 HA ARG 1 HA ARG 1 2.647 -2.168 -0.446
3 HB2 ARG 1 2HB ARG 1 4.053 -0.026 -0.605
4 HB3 ARG 1 3HB ARG 1 3.453 0.101 -2.253
5 HG2 ARG 1 2HG ARG 1 1.170 0.200 -1.443
6 HG3 ARG 1 3HG ARG 1 1.734 -0.006 0.216
7 HD2 ARG 1 2HD ARG 1 1.457 2.283 0.084
8 HD3 ARG 1 3HD ARG 1 3.170 2.099 -0.290
9 HE ARG 1 HE ARG 1 1.499 2.087 -2.620
10 HH11 ARG 1 1HH1 ARG 1 3.161 4.105 -0.320
11 HH12 ARG 1 2HH1 ARG 1 3.293 5.452 -1.400
12 HH21 ARG 1 1HH2 ARG 1 1.666 3.855 -4.052
13 HH22 ARG 1 2HH2 ARG 1 2.442 5.310 -3.523
14 H TRP 2 H TRP 2 3.869 -2.052 -3.752
15 HA TRP 2 HA TRP 2 1.391 -1.945 -5.074
16 HB2 TRP 2 2HB TRP 2 3.503 -1.485 -6.218
17 HB3 TRP 2 3HB TRP 2 4.006 -3.159 -5.995
18 HD1 TRP 2 HD1 TRP 2 3.119 -4.934 -7.708
19 HE1 TRP 2 HE1 TRP 2 1.754 -4.775 -9.884
20 HE3 TRP 2 HE3 TRP 2 1.551 -0.083 -7.328
21 HZ2 TRP 2 HZ2 TRP 2 0.217 -2.847 -11.259
22 HZ3 TRP 2 HZ3 TRP 2 0.137 0.843 -9.117
23 HH2 TRP 2 HH2 TRP 2 -0.514 -0.512 -11.041
24 H LYS 3 H LYS 3 2.920 -4.471 -3.354
25 HA LYS 3 HA LYS 3 1.935 -6.738 -4.667
26 HB2 LYS 3 2HB LYS 3 2.480 -7.950 -2.715
27 HB3 LYS 3 3HB LYS 3 3.642 -6.632 -2.782
28 HG2 LYS 3 2HG LYS 3 1.124 -6.496 -1.149
29 HG3 LYS 3 3HG LYS 3 2.646 -7.134 -0.522
30 HD2 LYS 3 2HD LYS 3 3.520 -4.810 -1.542
31 HD3 LYS 3 3HD LYS 3 1.861 -4.352 -1.149
32 HE2 LYS 3 2HE LYS 3 3.094 -3.839 0.777
33 HE3 LYS 3 3HE LYS 3 2.306 -5.372 1.147
34 HZ1 LYS 3 1HZ LYS 3 4.597 -6.233 0.114
35 HZ2 LYS 3 2HZ LYS 3 4.378 -5.940 1.765
36 HZ3 LYS 3 3HZ LYS 3 5.125 -4.775 0.791
37 H ARG 4 H ARG 4 0.423 -4.529 -2.410
38 HA ARG 4 HA ARG 4 -1.889 -6.184 -1.982
39 HB2 ARG 4 2HB ARG 4 -1.301 -4.704 -0.209
40 HB3 ARG 4 3HB ARG 4 -1.243 -3.321 -1.293
41 HG2 ARG 4 2HG ARG 4 -3.434 -2.941 -1.113
42 HG3 ARG 4 3HG ARG 4 -3.837 -4.654 -1.244
43 HD2 ARG 4 2HD ARG 4 -4.527 -4.000 0.912
44 HD3 ARG 4 3HD ARG 4 -3.021 -4.887 1.142
45 HE ARG 4 HE ARG 4 -2.253 -2.275 0.945
46 HH11 ARG 4 1HH1 ARG 4 -4.468 -4.046 2.964
47 HH12 ARG 4 2HH1 ARG 4 -4.266 -2.998 4.329
48 HH21 ARG 4 1HH2 ARG 4 -1.979 -0.889 2.735
49 HH22 ARG 4 2HH2 ARG 4 -2.850 -1.202 4.198
50 H HIS 5 H HIS 5 -0.949 -3.651 -4.182
51 HA HIS 5 HA HIS 5 -3.644 -3.254 -5.169
52 HB2 HIS 5 2HB HIS 5 -0.981 -2.023 -5.665
53 HB3 HIS 5 3HB HIS 5 -2.168 -1.930 -6.962
54 HD1 HIS 5 HD1 HIS 5 -4.713 -1.402 -5.353
55 HD2 HIS 5 HD2 HIS 5 -1.083 0.480 -4.617
56 HE1 HIS 5 HE1 HIS 5 -5.294 0.737 -4.166
57 H ILE 6 H ILE 6 -1.012 -5.326 -5.795
58 HA ILE 6 HA ILE 6 -1.995 -5.964 -8.486
59 HB ILE 6 HB ILE 6 0.439 -5.544 -8.211
60 HG12 ILE 6 2HG1 ILE 6 -0.685 -8.109 -9.230
61 HG13 ILE 6 3HG1 ILE 6 0.087 -6.794 -10.109
62 HG21 ILE 6 1HG2 ILE 6 0.406 -6.696 -5.892
63 HG22 ILE 6 2HG2 ILE 6 0.657 -8.179 -6.811
64 HG23 ILE 6 3HG2 ILE 6 1.832 -6.867 -6.915
65 HD11 ILE 6 1HD1 ILE 6 1.402 -8.969 -8.512
66 HD12 ILE 6 2HD1 ILE 6 1.529 -8.654 -10.243
67 HD13 ILE 6 3HD1 ILE 6 2.258 -7.539 -9.088
68 H SER 7 H SER 7 -1.429 -7.357 -5.304
69 HA SER 7 HA SER 7 -1.839 -10.036 -5.792
70 HB2 SER 7 2HB SER 7 -2.396 -8.266 -3.446
71 HB3 SER 7 3HB SER 7 -2.992 -9.925 -3.417
72 HG SER 7 HG SER 7 -0.302 -9.099 -3.792
73 H GLU 8 H GLU 8 -4.241 -7.476 -5.425
74 HA GLU 8 HA GLU 8 -6.467 -9.293 -5.615
75 HB2 GLU 8 2HB GLU 8 -6.859 -7.348 -4.321
76 HB3 GLU 8 3HB GLU 8 -6.227 -6.291 -5.576
77 HG2 GLU 8 2HG GLU 8 -8.203 -6.128 -6.579
78 HG3 GLU 8 3HG GLU 8 -8.489 -7.865 -6.486
79 H GLN 9 H GLN 9 -4.634 -7.248 -7.779
80 HA GLN 9 HA GLN 9 -6.487 -7.437 -9.957
81 HB2 GLN 9 2HB GLN 9 -3.676 -6.429 -9.661
82 HB3 GLN 9 3HB GLN 9 -4.392 -6.612 -11.256
83 HG2 GLN 9 2HG GLN 9 -6.347 -5.231 -10.106
84 HG3 GLN 9 3HG GLN 9 -5.006 -4.675 -9.107
85 HE21 GLN 9 1HE2 GLN 9 -3.577 -3.246 -9.924
86 HE22 GLN 9 2HE2 GLN 9 -3.661 -2.588 -11.518
87 H LEU 10 H LEU 10 -3.191 -8.735 -9.514
88 HA LEU 10 HA LEU 10 -3.093 -10.382 -11.716
89 HB2 LEU 10 2HB LEU 10 -1.386 -11.632 -10.581
90 HB3 LEU 10 3HB LEU 10 -1.206 -9.921 -10.203
91 HG LEU 10 HG LEU 10 -2.629 -10.652 -8.071
92 HD11 LEU 10 1HD1 LEU 10 -2.773 -12.833 -7.708
93 HD12 LEU 10 2HD1 LEU 10 -1.027 -13.011 -7.874
94 HD13 LEU 10 3HD1 LEU 10 -2.063 -13.121 -9.297
95 HD21 LEU 10 1HD2 LEU 10 0.335 -10.899 -8.521
96 HD22 LEU 10 2HD2 LEU 10 -0.408 -11.035 -6.927
97 HD23 LEU 10 3HD2 LEU 10 -0.558 -9.536 -7.845
98 H ARG 11 H ARG 11 -4.942 -10.767 -8.832
99 HA ARG 11 HA ARG 11 -5.435 -13.592 -9.267
100 HB2 ARG 11 2HB ARG 11 -5.314 -12.926 -6.981
101 HB3 ARG 11 3HB ARG 11 -6.448 -11.607 -7.236
102 HG2 ARG 11 2HG ARG 11 -8.191 -12.917 -6.829
103 HG3 ARG 11 3HG ARG 11 -7.613 -14.150 -7.951
104 HD2 ARG 11 2HD ARG 11 -7.494 -15.349 -6.023
105 HD3 ARG 11 3HD ARG 11 -5.900 -14.596 -5.973
106 HE ARG 11 HE ARG 11 -7.463 -12.830 -4.646
107 HH11 ARG 11 1HH1 ARG 11 -6.931 -16.258 -4.344
108 HH12 ARG 11 2HH1 ARG 11 -7.229 -16.285 -2.637
109 HH21 ARG 11 1HH2 ARG 11 -7.858 -12.854 -2.400
110 HH22 ARG 11 2HH2 ARG 11 -7.757 -14.349 -1.533
111 H ARG 12 H ARG 12 -7.046 -10.515 -9.762
112 HA ARG 12 HA ARG 12 -9.436 -11.878 -10.765
113 HB2 ARG 12 2HB ARG 12 -8.872 -8.981 -10.126
114 HB3 ARG 12 3HB ARG 12 -10.362 -9.532 -10.878
115 HG2 ARG 12 2HG ARG 12 -10.200 -11.169 -8.705
116 HG3 ARG 12 3HG ARG 12 -9.498 -9.671 -8.092
117 HD2 ARG 12 2HD ARG 12 -12.143 -9.847 -9.525
118 HD3 ARG 12 3HD ARG 12 -11.964 -9.856 -7.771
119 HE ARG 12 HE ARG 12 -10.658 -7.608 -8.510
120 HH11 ARG 12 1HH1 ARG 12 -13.833 -8.861 -9.194
121 HH12 ARG 12 2HH1 ARG 12 -14.559 -7.296 -9.351
122 HH21 ARG 12 1HH2 ARG 12 -11.602 -5.542 -8.714
123 HH22 ARG 12 2HH2 ARG 12 -13.289 -5.409 -9.078
124 H ARG 13 H ARG 13 -7.731 -8.935 -11.823
125 HA ARG 13 HA ARG 13 -7.844 -9.978 -14.577
126 HB2 ARG 13 2HB ARG 13 -8.832 -7.494 -13.457
127 HB3 ARG 13 3HB ARG 13 -7.674 -7.193 -14.747
128 HG2 ARG 13 2HG ARG 13 -9.340 -7.483 -16.178
129 HG3 ARG 13 3HG ARG 13 -9.320 -9.194 -15.744
130 HD2 ARG 13 2HD ARG 13 -10.875 -8.620 -13.852
131 HD3 ARG 13 3HD ARG 13 -11.016 -7.009 -14.554
132 HE ARG 13 HE ARG 13 -11.582 -9.030 -16.471
133 HH11 ARG 13 1HH1 ARG 13 -12.926 -7.327 -13.749
134 HH12 ARG 13 2HH1 ARG 13 -14.568 -7.544 -14.257
135 HH21 ARG 13 1HH2 ARG 13 -13.740 -9.322 -17.152
136 HH22 ARG 13 2HH2 ARG 13 -15.030 -8.680 -16.193
137 H ASP 14 H ASP 14 -5.729 -10.851 -14.302
138 HA ASP 14 HA ASP 14 -3.515 -9.159 -13.631
139 HB2 ASP 14 2HB ASP 14 -3.751 -11.751 -13.403
140 HB3 ASP 14 3HB ASP 14 -3.216 -11.768 -15.081
141 H ARG 15 H ARG 15 -4.602 -7.675 -15.452
142 HA ARG 15 HA ARG 15 -3.593 -8.293 -18.103
143 HB2 ARG 15 2HB ARG 15 -4.650 -6.107 -18.711
144 HB3 ARG 15 3HB ARG 15 -5.763 -7.280 -18.020
145 HG2 ARG 15 2HG ARG 15 -6.227 -5.983 -16.260
146 HG3 ARG 15 3HG ARG 15 -4.543 -5.496 -16.052
147 HD2 ARG 15 2HD ARG 15 -4.837 -3.991 -18.040
148 HD3 ARG 15 3HD ARG 15 -6.558 -4.367 -17.985
149 HE ARG 15 HE ARG 15 -5.991 -3.513 -15.466
150 HH11 ARG 15 1HH1 ARG 15 -5.528 -2.185 -18.650
151 HH12 ARG 15 2HH1 ARG 15 -5.667 -0.540 -18.126
152 HH21 ARG 15 1HH2 ARG 15 -6.175 -1.351 -14.763
153 HH22 ARG 15 2HH2 ARG 15 -6.034 -0.066 -15.915
154 H LEU 16 H LEU 16 -2.321 -6.987 -15.342
155 HA LEU 16 HA LEU 16 -0.813 -4.821 -16.432
156 HB2 LEU 16 2HB LEU 16 -1.058 -4.594 -14.169
157 HB3 LEU 16 3HB LEU 16 -0.870 -6.320 -13.867
158 HG LEU 16 HG LEU 16 1.553 -6.103 -14.237
159 HD11 LEU 16 1HD1 LEU 16 0.760 -3.505 -15.213
160 HD12 LEU 16 2HD1 LEU 16 2.290 -4.360 -15.400
161 HD13 LEU 16 3HD1 LEU 16 2.002 -3.372 -13.968
162 HD21 LEU 16 1HD2 LEU 16 1.217 -6.008 -11.997
163 HD22 LEU 16 2HD2 LEU 16 0.090 -4.656 -12.109
164 HD23 LEU 16 3HD2 LEU 16 1.827 -4.369 -12.226
165 H GLN 17 H GLN 17 -0.299 -8.256 -16.041
166 HA GLN 17 HA GLN 17 2.440 -8.460 -16.301
167 HB2 GLN 17 2HB GLN 17 0.145 -10.197 -16.749
168 HB3 GLN 17 3HB GLN 17 1.481 -10.565 -17.832
169 HG2 GLN 17 2HG GLN 17 2.458 -10.178 -15.165
170 HG3 GLN 17 3HG GLN 17 1.154 -11.365 -15.172
171 HE21 GLN 17 1HE2 GLN 17 4.233 -10.529 -16.661
172 HE22 GLN 17 2HE2 GLN 17 4.689 -12.147 -17.059
173 H ARG 18 H ARG 18 0.031 -7.793 -18.756
174 HA ARG 18 HA ARG 18 1.946 -8.007 -20.918
175 HB2 ARG 18 2HB ARG 18 -0.328 -8.701 -21.361
176 HB3 ARG 18 3HB ARG 18 -0.945 -7.133 -20.856
177 HG2 ARG 18 2HG ARG 18 0.139 -6.072 -22.754
178 HG3 ARG 18 3HG ARG 18 0.817 -7.625 -23.248
179 HD2 ARG 18 2HD ARG 18 -1.136 -7.141 -24.579
180 HD3 ARG 18 3HD ARG 18 -1.475 -8.503 -23.512
181 HE ARG 18 HE ARG 18 -3.067 -7.237 -22.456
182 HH11 ARG 18 1HH1 ARG 18 -1.053 -5.166 -24.398
183 HH12 ARG 18 2HH1 ARG 18 -2.052 -3.768 -24.176
184 HH21 ARG 18 1HH2 ARG 18 -4.390 -5.404 -22.156
185 HH22 ARG 18 2HH2 ARG 18 -3.949 -3.904 -22.899
186 H GLN 19 H GLN 19 0.614 -5.559 -18.861
187 HA GLN 19 HA GLN 19 1.255 -3.325 -20.514
188 HB2 GLN 19 2HB GLN 19 0.163 -3.776 -17.840
189 HB3 GLN 19 3HB GLN 19 1.201 -2.359 -17.929
190 HG2 GLN 19 2HG GLN 19 -0.593 -2.437 -20.173
191 HG3 GLN 19 3HG GLN 19 -1.483 -2.552 -18.656
192 HE21 GLN 19 1HE2 GLN 19 -0.378 -0.452 -20.875
193 HE22 GLN 19 2HE2 GLN 19 -0.223 0.969 -19.904
194 H ALA 20 H ALA 20 2.830 -4.853 -17.723
195 HA ALA 20 HA ALA 20 4.958 -4.748 -16.921
196 HB1 ALA 20 1HB ALA 20 5.234 -4.531 -19.846
197 HB2 ALA 20 2HB ALA 20 6.638 -4.030 -18.903
198 HB3 ALA 20 3HB ALA 20 5.982 -5.656 -18.712
Start of MODEL 2
1 H1 ARG 1 H ARG 1 1.807 0.001 0.855
2 HA ARG 1 HA ARG 1 2.497 0.991 -1.383
3 HB2 ARG 1 2HB ARG 1 2.902 -1.888 -0.648
4 HB3 ARG 1 3HB ARG 1 3.556 -1.263 -2.155
5 HG2 ARG 1 2HG ARG 1 4.369 0.605 -0.312
6 HG3 ARG 1 3HG ARG 1 4.492 -0.916 0.574
7 HD2 ARG 1 2HD ARG 1 6.577 -0.686 -0.452
8 HD3 ARG 1 3HD ARG 1 5.704 -1.805 -1.499
9 HE ARG 1 HE ARG 1 5.258 0.736 -2.504
10 HH11 ARG 1 1HH1 ARG 1 7.972 -1.375 -1.960
11 HH12 ARG 1 2HH1 ARG 1 8.898 -0.739 -3.279
12 HH21 ARG 1 1HH2 ARG 1 6.467 1.582 -4.243
13 HH22 ARG 1 2HH2 ARG 1 8.042 0.944 -4.576
14 H TRP 2 H TRP 2 2.696 0.029 -3.701
15 HA TRP 2 HA TRP 2 0.028 -0.112 -4.746
16 HB2 TRP 2 2HB TRP 2 1.664 1.150 -5.982
17 HB3 TRP 2 3HB TRP 2 2.739 -0.243 -6.077
18 HD1 TRP 2 HD1 TRP 2 1.929 -2.278 -7.725
19 HE1 TRP 2 HE1 TRP 2 0.509 -2.202 -9.870
20 HE3 TRP 2 HE3 TRP 2 -0.210 2.325 -7.118
21 HZ2 TRP 2 HZ2 TRP 2 -1.281 -0.425 -11.137
22 HZ3 TRP 2 HZ3 TRP 2 -1.764 3.140 -8.842
23 HH2 TRP 2 HH2 TRP 2 -2.287 1.792 -10.810
24 H LYS 3 H LYS 3 2.529 -2.379 -3.980
25 HA LYS 3 HA LYS 3 1.795 -4.515 -5.641
26 HB2 LYS 3 2HB LYS 3 3.109 -5.897 -4.222
27 HB3 LYS 3 3HB LYS 3 3.891 -4.322 -4.246
28 HG2 LYS 3 2HG LYS 3 2.916 -3.785 -2.085
29 HG3 LYS 3 3HG LYS 3 2.085 -5.342 -2.062
30 HD2 LYS 3 2HD LYS 3 4.931 -5.628 -2.554
31 HD3 LYS 3 3HD LYS 3 4.601 -4.795 -1.033
32 HE2 LYS 3 2HE LYS 3 3.027 -6.647 -0.454
33 HE3 LYS 3 3HE LYS 3 3.574 -7.494 -1.900
34 HZ1 LYS 3 1HZ LYS 3 5.614 -6.573 -0.023
35 HZ2 LYS 3 2HZ LYS 3 5.577 -7.967 -0.980
36 HZ3 LYS 3 3HZ LYS 3 4.670 -7.896 0.447
37 H ARG 4 H ARG 4 0.560 -3.444 -2.528
38 HA ARG 4 HA ARG 4 -1.103 -5.747 -2.133
39 HB2 ARG 4 2HB ARG 4 -0.386 -4.594 -0.175
40 HB3 ARG 4 3HB ARG 4 -0.960 -3.051 -0.792
41 HG2 ARG 4 2HG ARG 4 -3.052 -3.402 -0.077
42 HG3 ARG 4 3HG ARG 4 -3.035 -5.102 -0.551
43 HD2 ARG 4 2HD ARG 4 -1.311 -5.179 1.510
44 HD3 ARG 4 3HD ARG 4 -2.331 -3.836 2.022
45 HE ARG 4 HE ARG 4 -4.048 -5.315 2.386
46 HH11 ARG 4 1HH1 ARG 4 -1.534 -6.880 0.556
47 HH12 ARG 4 2HH1 ARG 4 -2.233 -8.459 0.699
48 HH21 ARG 4 1HH2 ARG 4 -4.978 -7.389 2.582
49 HH22 ARG 4 2HH2 ARG 4 -4.192 -8.747 1.851
50 H HIS 5 H HIS 5 -1.419 -2.677 -3.717
51 HA HIS 5 HA HIS 5 -4.309 -2.858 -3.903
52 HB2 HIS 5 2HB HIS 5 -2.300 -0.803 -4.308
53 HB3 HIS 5 3HB HIS 5 -3.439 -0.859 -5.650
54 HD1 HIS 5 HD1 HIS 5 -4.344 -1.509 -2.041
55 HD2 HIS 5 HD2 HIS 5 -4.917 1.358 -4.993
56 HE1 HIS 5 HE1 HIS 5 -6.029 0.101 -1.096
57 H ILE 6 H ILE 6 -1.583 -3.910 -5.657
58 HA ILE 6 HA ILE 6 -3.165 -4.262 -8.108
59 HB ILE 6 HB ILE 6 -0.980 -3.148 -8.373
60 HG12 ILE 6 2HG1 ILE 6 -0.303 -4.358 -10.300
61 HG13 ILE 6 3HG1 ILE 6 -0.849 -5.888 -9.624
62 HG21 ILE 6 1HG2 ILE 6 1.029 -4.046 -7.742
63 HG22 ILE 6 2HG2 ILE 6 -0.011 -4.677 -6.466
64 HG23 ILE 6 3HG2 ILE 6 0.439 -5.706 -7.826
65 HD11 ILE 6 1HD1 ILE 6 -3.128 -5.294 -9.923
66 HD12 ILE 6 2HD1 ILE 6 -2.701 -3.635 -10.340
67 HD13 ILE 6 3HD1 ILE 6 -2.285 -4.954 -11.434
68 H SER 7 H SER 7 -1.399 -5.980 -5.618
69 HA SER 7 HA SER 7 -1.180 -8.502 -6.708
70 HB2 SER 7 2HB SER 7 -0.175 -8.211 -4.606
71 HB3 SER 7 3HB SER 7 -1.649 -7.561 -3.889
72 HG SER 7 HG SER 7 -0.816 -10.137 -4.090
73 H GLU 8 H GLU 8 -3.977 -7.047 -5.092
74 HA GLU 8 HA GLU 8 -5.593 -9.407 -5.420
75 HB2 GLU 8 2HB GLU 8 -5.995 -7.989 -3.505
76 HB3 GLU 8 3HB GLU 8 -6.275 -6.598 -4.543
77 HG2 GLU 8 2HG GLU 8 -8.087 -8.523 -5.415
78 HG3 GLU 8 3HG GLU 8 -8.110 -8.629 -3.656
79 H GLN 9 H GLN 9 -5.145 -6.351 -7.081
80 HA GLN 9 HA GLN 9 -7.418 -6.575 -8.775
81 HB2 GLN 9 2HB GLN 9 -6.391 -4.415 -8.375
82 HB3 GLN 9 3HB GLN 9 -4.874 -4.971 -9.069
83 HG2 GLN 9 2HG GLN 9 -6.806 -5.417 -11.037
84 HG3 GLN 9 3HG GLN 9 -7.167 -3.829 -10.362
85 HE21 GLN 9 1HE2 GLN 9 -5.203 -5.595 -12.456
86 HE22 GLN 9 2HE2 GLN 9 -4.066 -4.353 -12.840
87 H LEU 10 H LEU 10 -3.941 -6.990 -9.465
88 HA LEU 10 HA LEU 10 -4.157 -7.935 -12.051
89 HB2 LEU 10 2HB LEU 10 -1.964 -8.848 -11.789
90 HB3 LEU 10 3HB LEU 10 -2.052 -7.327 -10.903
91 HG LEU 10 HG LEU 10 -2.566 -8.959 -8.879
92 HD11 LEU 10 1HD1 LEU 10 -2.109 -10.806 -10.873
93 HD12 LEU 10 2HD1 LEU 10 -2.055 -11.111 -9.138
94 HD13 LEU 10 3HD1 LEU 10 -0.570 -10.738 -10.013
95 HD21 LEU 10 1HD2 LEU 10 0.057 -9.124 -8.698
96 HD22 LEU 10 2HD2 LEU 10 -0.774 -7.575 -8.560
97 HD23 LEU 10 3HD2 LEU 10 -0.007 -8.032 -10.081
98 H ARG 11 H ARG 11 -4.851 -9.548 -9.064
99 HA ARG 11 HA ARG 11 -4.673 -12.221 -9.919
100 HB2 ARG 11 2HB ARG 11 -4.822 -11.769 -7.578
101 HB3 ARG 11 3HB ARG 11 -6.336 -10.899 -7.779
102 HG2 ARG 11 2HG ARG 11 -7.543 -12.761 -7.628
103 HG3 ARG 11 3HG ARG 11 -6.490 -13.631 -8.746
104 HD2 ARG 11 2HD ARG 11 -4.866 -13.568 -6.641
105 HD3 ARG 11 3HD ARG 11 -6.404 -13.463 -5.785
106 HE ARG 11 HE ARG 11 -6.724 -15.536 -7.537
107 HH11 ARG 11 1HH1 ARG 11 -4.464 -14.762 -5.005
108 HH12 ARG 11 2HH1 ARG 11 -4.157 -16.417 -4.594
109 HH21 ARG 11 1HH2 ARG 11 -6.328 -17.719 -7.005
110 HH22 ARG 11 2HH2 ARG 11 -5.217 -18.098 -5.733
111 H ARG 12 H ARG 12 -7.561 -10.146 -9.606
112 HA ARG 12 HA ARG 12 -9.178 -12.010 -11.088
113 HB2 ARG 12 2HB ARG 12 -9.816 -9.187 -10.213
114 HB3 ARG 12 3HB ARG 12 -10.971 -10.383 -10.786
115 HG2 ARG 12 2HG ARG 12 -9.497 -11.493 -8.613
116 HG3 ARG 12 3HG ARG 12 -10.115 -9.906 -8.147
117 HD2 ARG 12 2HD ARG 12 -11.901 -11.230 -7.590
118 HD3 ARG 12 3HD ARG 12 -12.325 -10.798 -9.247
119 HE ARG 12 HE ARG 12 -10.820 -13.177 -9.249
120 HH11 ARG 12 1HH1 ARG 12 -13.963 -11.968 -8.366
121 HH12 ARG 12 2HH1 ARG 12 -14.760 -13.486 -8.613
122 HH21 ARG 12 1HH2 ARG 12 -11.858 -15.181 -9.578
123 HH22 ARG 12 2HH2 ARG 12 -13.562 -15.313 -9.302
124 H ARG 13 H ARG 13 -7.879 -8.752 -11.659
125 HA ARG 13 HA ARG 13 -8.333 -9.179 -14.539
126 HB2 ARG 13 2HB ARG 13 -9.145 -6.988 -12.816
127 HB3 ARG 13 3HB ARG 13 -8.150 -6.422 -14.151
128 HG2 ARG 13 2HG ARG 13 -9.793 -7.995 -15.526
129 HG3 ARG 13 3HG ARG 13 -10.857 -7.615 -14.170
130 HD2 ARG 13 2HD ARG 13 -10.298 -5.186 -14.577
131 HD3 ARG 13 3HD ARG 13 -9.530 -5.702 -16.078
132 HE ARG 13 HE ARG 13 -12.026 -6.777 -16.209
133 HH11 ARG 13 1HH1 ARG 13 -10.776 -3.567 -15.706
134 HH12 ARG 13 2HH1 ARG 13 -12.134 -2.781 -16.439
135 HH21 ARG 13 1HH2 ARG 13 -13.821 -5.754 -17.177
136 HH22 ARG 13 2HH2 ARG 13 -13.866 -4.026 -17.275
137 H ASP 14 H ASP 14 -6.225 -10.049 -14.742
138 HA ASP 14 HA ASP 14 -3.912 -8.570 -13.937
139 HB2 ASP 14 2HB ASP 14 -2.734 -10.265 -15.456
140 HB3 ASP 14 3HB ASP 14 -3.601 -10.903 -14.061
141 H ARG 15 H ARG 15 -5.058 -6.626 -15.114
142 HA ARG 15 HA ARG 15 -4.684 -6.485 -17.951
143 HB2 ARG 15 2HB ARG 15 -6.439 -5.178 -16.912
144 HB3 ARG 15 3HB ARG 15 -5.267 -4.349 -15.896
145 HG2 ARG 15 2HG ARG 15 -5.949 -2.906 -17.695
146 HG3 ARG 15 3HG ARG 15 -4.257 -3.359 -17.911
147 HD2 ARG 15 2HD ARG 15 -5.927 -5.274 -19.222
148 HD3 ARG 15 3HD ARG 15 -6.390 -3.652 -19.734
149 HE ARG 15 HE ARG 15 -3.563 -4.035 -19.792
150 HH11 ARG 15 1HH1 ARG 15 -6.515 -4.636 -21.536
151 HH12 ARG 15 2HH1 ARG 15 -5.739 -4.716 -23.083
152 HH21 ARG 15 1HH2 ARG 15 -2.529 -4.137 -21.823
153 HH22 ARG 15 2HH2 ARG 15 -3.471 -4.433 -23.245
154 H LEU 16 H LEU 16 -3.136 -4.774 -15.228
155 HA LEU 16 HA LEU 16 -0.952 -3.942 -16.943
156 HB2 LEU 16 2HB LEU 16 -0.289 -2.533 -15.221
157 HB3 LEU 16 3HB LEU 16 -2.047 -2.551 -15.096
158 HG LEU 16 HG LEU 16 -1.504 -4.476 -13.337
159 HD11 LEU 16 1HD1 LEU 16 0.753 -4.649 -13.206
160 HD12 LEU 16 2HD1 LEU 16 0.526 -3.345 -12.042
161 HD13 LEU 16 3HD1 LEU 16 1.024 -2.976 -13.693
162 HD21 LEU 16 1HD2 LEU 16 -1.223 -2.366 -11.696
163 HD22 LEU 16 2HD2 LEU 16 -2.761 -2.841 -12.418
164 HD23 LEU 16 3HD2 LEU 16 -1.806 -1.548 -13.145
165 H GLN 17 H GLN 17 -1.681 -6.565 -14.922
166 HA GLN 17 HA GLN 17 0.713 -7.258 -13.748
167 HB2 GLN 17 2HB GLN 17 -1.608 -8.434 -13.708
168 HB3 GLN 17 3HB GLN 17 -0.984 -9.344 -15.078
169 HG2 GLN 17 2HG GLN 17 0.397 -9.173 -12.413
170 HG3 GLN 17 3HG GLN 17 -0.721 -10.458 -12.865
171 HE21 GLN 17 1HE2 GLN 17 2.123 -10.569 -12.179
172 HE22 GLN 17 2HE2 GLN 17 2.905 -11.314 -13.528
173 H ARG 18 H ARG 18 -0.367 -7.916 -17.062
174 HA ARG 18 HA ARG 18 1.930 -9.383 -17.827
175 HB2 ARG 18 2HB ARG 18 0.118 -7.795 -19.647
176 HB3 ARG 18 3HB ARG 18 1.119 -9.175 -20.079
177 HG2 ARG 18 2HG ARG 18 -0.271 -10.579 -18.570
178 HG3 ARG 18 3HG ARG 18 -1.327 -9.186 -18.326
179 HD2 ARG 18 2HD ARG 18 -2.305 -9.428 -20.331
180 HD3 ARG 18 3HD ARG 18 -0.778 -9.790 -21.136
181 HE ARG 18 HE ARG 18 -1.286 -12.048 -19.739
182 HH11 ARG 18 1HH1 ARG 18 -3.162 -10.146 -21.971
183 HH12 ARG 18 2HH1 ARG 18 -4.069 -11.498 -22.564
184 HH21 ARG 18 1HH2 ARG 18 -2.473 -13.836 -20.511
185 HH22 ARG 18 2HH2 ARG 18 -3.677 -13.596 -21.732
186 H GLN 19 H GLN 19 1.046 -5.968 -18.119
187 HA GLN 19 HA GLN 19 3.217 -5.117 -19.655
188 HB2 GLN 19 2HB GLN 19 1.110 -3.896 -18.110
189 HB3 GLN 19 3HB GLN 19 2.619 -3.025 -17.876
190 HG2 GLN 19 2HG GLN 19 2.728 -3.207 -20.504
191 HG3 GLN 19 3HG GLN 19 0.981 -3.364 -20.326
192 HE21 GLN 19 1HE2 GLN 19 3.527 -1.234 -20.605
193 HE22 GLN 19 2HE2 GLN 19 2.721 0.213 -20.113
194 H ALA 20 H ALA 20 2.834 -4.912 -16.113
195 HA ALA 20 HA ALA 20 5.706 -4.481 -15.838
196 HB1 ALA 20 1HB ALA 20 3.898 -4.635 -13.481
197 HB2 ALA 20 2HB ALA 20 5.290 -3.592 -13.773
198 HB3 ALA 20 3HB ALA 20 3.752 -3.253 -14.567
Start of MODEL 3
1 H1 ARG 1 H ARG 1 5.047 -1.785 -1.531
2 HA ARG 1 HA ARG 1 2.525 -0.765 -0.867
3 HB2 ARG 1 2HB ARG 1 4.622 0.178 -2.820
4 HB3 ARG 1 3HB ARG 1 3.151 1.086 -2.495
5 HG2 ARG 1 2HG ARG 1 4.275 0.472 0.007
6 HG3 ARG 1 3HG ARG 1 5.597 1.023 -1.024
7 HD2 ARG 1 2HD ARG 1 3.973 2.932 -1.669
8 HD3 ARG 1 3HD ARG 1 3.105 2.468 -0.206
9 HE ARG 1 HE ARG 1 5.923 2.910 0.189
10 HH11 ARG 1 1HH1 ARG 1 2.766 4.375 0.096
11 HH12 ARG 1 2HH1 ARG 1 3.215 5.715 1.098
12 HH21 ARG 1 1HH2 ARG 1 6.526 4.669 1.510
13 HH22 ARG 1 2HH2 ARG 1 5.354 5.882 1.901
14 H TRP 2 H TRP 2 3.787 -1.417 -4.143
15 HA TRP 2 HA TRP 2 1.161 -1.302 -5.290
16 HB2 TRP 2 2HB TRP 2 3.124 -0.586 -6.569
17 HB3 TRP 2 3HB TRP 2 3.789 -2.214 -6.483
18 HD1 TRP 2 HD1 TRP 2 2.927 -3.974 -8.221
19 HE1 TRP 2 HE1 TRP 2 1.369 -3.836 -10.265
20 HE3 TRP 2 HE3 TRP 2 0.957 0.676 -7.429
21 HZ2 TRP 2 HZ2 TRP 2 -0.454 -2.000 -11.393
22 HZ3 TRP 2 HZ3 TRP 2 -0.688 1.550 -9.037
23 HH2 TRP 2 HH2 TRP 2 -1.376 0.239 -10.978
24 H LYS 3 H LYS 3 3.055 -3.728 -3.815
25 HA LYS 3 HA LYS 3 2.184 -6.026 -5.164
26 HB2 LYS 3 2HB LYS 3 2.995 -7.263 -3.312
27 HB3 LYS 3 3HB LYS 3 4.040 -5.856 -3.448
28 HG2 LYS 3 2HG LYS 3 2.839 -4.766 -1.636
29 HG3 LYS 3 3HG LYS 3 1.749 -6.150 -1.514
30 HD2 LYS 3 2HD LYS 3 4.289 -7.261 -1.365
31 HD3 LYS 3 3HD LYS 3 4.408 -5.777 -0.416
32 HE2 LYS 3 2HE LYS 3 3.689 -7.297 1.165
33 HE3 LYS 3 3HE LYS 3 2.168 -6.586 0.630
34 HZ1 LYS 3 1HZ LYS 3 3.098 -9.285 0.398
35 HZ2 LYS 3 2HZ LYS 3 2.545 -8.668 -1.077
36 HZ3 LYS 3 3HZ LYS 3 1.526 -8.672 0.273
37 H ARG 4 H ARG 4 0.721 -4.144 -2.578
38 HA ARG 4 HA ARG 4 -1.393 -6.021 -2.094
39 HB2 ARG 4 2HB ARG 4 -0.775 -4.614 -0.274
40 HB3 ARG 4 3HB ARG 4 -0.938 -3.162 -1.252
41 HG2 ARG 4 2HG ARG 4 -3.158 -3.037 -0.933
42 HG3 ARG 4 3HG ARG 4 -3.374 -4.787 -1.005
43 HD2 ARG 4 2HD ARG 4 -3.185 -5.026 1.224
44 HD3 ARG 4 3HD ARG 4 -1.896 -3.828 1.341
45 HE ARG 4 HE ARG 4 -4.456 -2.659 0.814
46 HH11 ARG 4 1HH1 ARG 4 -2.364 -3.895 3.308
47 HH12 ARG 4 2HH1 ARG 4 -3.084 -2.945 4.564
48 HH21 ARG 4 1HH2 ARG 4 -5.412 -1.403 2.460
49 HH22 ARG 4 2HH2 ARG 4 -4.819 -1.528 4.081
50 H HIS 5 H HIS 5 -0.882 -3.311 -4.209
51 HA HIS 5 HA HIS 5 -3.689 -3.083 -4.902
52 HB2 HIS 5 2HB HIS 5 -1.199 -1.594 -5.547
53 HB3 HIS 5 3HB HIS 5 -2.492 -1.542 -6.741
54 HD1 HIS 5 HD1 HIS 5 -1.299 0.542 -4.312
55 HD2 HIS 5 HD2 HIS 5 -5.082 -1.049 -4.956
56 HE1 HIS 5 HE1 HIS 5 -2.888 2.081 -3.115
57 H ILE 6 H ILE 6 -0.928 -4.817 -5.953
58 HA ILE 6 HA ILE 6 -2.133 -5.403 -8.559
59 HB ILE 6 HB ILE 6 0.268 -4.788 -8.495
60 HG12 ILE 6 2HG1 ILE 6 -0.703 -7.412 -9.534
61 HG13 ILE 6 3HG1 ILE 6 -0.192 -5.978 -10.417
62 HG21 ILE 6 1HG2 ILE 6 0.876 -7.455 -7.296
63 HG22 ILE 6 2HG2 ILE 6 1.886 -6.013 -7.396
64 HG23 ILE 6 3HG2 ILE 6 0.547 -6.073 -6.250
65 HD11 ILE 6 1HD1 ILE 6 1.544 -8.040 -9.095
66 HD12 ILE 6 2HD1 ILE 6 1.420 -7.658 -10.813
67 HD13 ILE 6 3HD1 ILE 6 2.153 -6.500 -9.703
68 H SER 7 H SER 7 -1.145 -6.929 -5.547
69 HA SER 7 HA SER 7 -1.384 -9.600 -6.182
70 HB2 SER 7 2HB SER 7 -1.861 -8.043 -3.668
71 HB3 SER 7 3HB SER 7 -2.268 -9.758 -3.709
72 HG SER 7 HG SER 7 -0.005 -9.935 -4.618
73 H GLU 8 H GLU 8 -3.936 -7.302 -5.347
74 HA GLU 8 HA GLU 8 -6.008 -9.299 -5.498
75 HB2 GLU 8 2HB GLU 8 -6.399 -7.525 -3.966
76 HB3 GLU 8 3HB GLU 8 -6.036 -6.303 -5.178
77 HG2 GLU 8 2HG GLU 8 -8.130 -6.265 -5.916
78 HG3 GLU 8 3HG GLU 8 -8.233 -8.023 -5.969
79 H GLN 9 H GLN 9 -4.582 -6.916 -7.612
80 HA GLN 9 HA GLN 9 -6.647 -7.020 -9.592
81 HB2 GLN 9 2HB GLN 9 -5.023 -5.109 -9.232
82 HB3 GLN 9 3HB GLN 9 -3.797 -6.114 -9.993
83 HG2 GLN 9 2HG GLN 9 -4.586 -5.736 -12.048
84 HG3 GLN 9 3HG GLN 9 -6.267 -5.875 -11.536
85 HE21 GLN 9 1HE2 GLN 9 -7.368 -4.101 -11.897
86 HE22 GLN 9 2HE2 GLN 9 -6.777 -2.483 -11.772
87 H LEU 10 H LEU 10 -3.266 -8.166 -9.619
88 HA LEU 10 HA LEU 10 -3.400 -9.618 -11.981
89 HB2 LEU 10 2HB LEU 10 -1.419 -10.743 -11.267
90 HB3 LEU 10 3HB LEU 10 -1.334 -9.066 -10.732
91 HG LEU 10 HG LEU 10 -2.309 -10.147 -8.499
92 HD11 LEU 10 1HD1 LEU 10 -0.461 -12.332 -8.969
93 HD12 LEU 10 2HD1 LEU 10 -1.877 -12.414 -10.016
94 HD13 LEU 10 3HD1 LEU 10 -2.078 -12.347 -8.265
95 HD21 LEU 10 1HD2 LEU 10 0.215 -10.535 -7.914
96 HD22 LEU 10 2HD2 LEU 10 -0.388 -8.913 -8.257
97 HD23 LEU 10 3HD2 LEU 10 0.479 -9.814 -9.501
98 H ARG 11 H ARG 11 -4.772 -10.310 -8.916
99 HA ARG 11 HA ARG 11 -4.985 -13.153 -9.295
100 HB2 ARG 11 2HB ARG 11 -4.900 -12.389 -7.040
101 HB3 ARG 11 3HB ARG 11 -6.201 -11.237 -7.310
102 HG2 ARG 11 2HG ARG 11 -7.764 -12.748 -6.846
103 HG3 ARG 11 3HG ARG 11 -7.012 -13.961 -7.885
104 HD2 ARG 11 2HD ARG 11 -5.511 -13.447 -5.439
105 HD3 ARG 11 3HD ARG 11 -7.144 -14.039 -5.138
106 HE ARG 11 HE ARG 11 -4.946 -15.511 -6.256
107 HH11 ARG 11 1HH1 ARG 11 -8.412 -15.266 -6.050
108 HH12 ARG 11 2HH1 ARG 11 -8.682 -16.940 -6.407
109 HH21 ARG 11 1HH2 ARG 11 -5.288 -17.717 -6.726
110 HH22 ARG 11 2HH2 ARG 11 -6.905 -18.333 -6.790
111 H ARG 12 H ARG 12 -7.117 -10.355 -9.652
112 HA ARG 12 HA ARG 12 -9.267 -12.068 -10.637
113 HB2 ARG 12 2HB ARG 12 -9.237 -9.074 -10.214
114 HB3 ARG 12 3HB ARG 12 -10.648 -10.061 -10.574
115 HG2 ARG 12 2HG ARG 12 -9.650 -11.272 -8.334
116 HG3 ARG 12 3HG ARG 12 -9.300 -9.568 -8.038
117 HD2 ARG 12 2HD ARG 12 -11.557 -8.963 -8.171
118 HD3 ARG 12 3HD ARG 12 -12.003 -10.469 -8.972
119 HE ARG 12 HE ARG 12 -11.037 -11.198 -6.501
120 HH11 ARG 12 1HH1 ARG 12 -13.611 -9.193 -7.715
121 HH12 ARG 12 2HH1 ARG 12 -14.644 -9.469 -6.352
122 HH21 ARG 12 1HH2 ARG 12 -12.388 -11.569 -4.701
123 HH22 ARG 12 2HH2 ARG 12 -13.947 -10.820 -4.638
124 H ARG 13 H ARG 13 -7.904 -8.954 -11.724
125 HA ARG 13 HA ARG 13 -8.073 -9.963 -14.488
126 HB2 ARG 13 2HB ARG 13 -9.193 -7.574 -13.281
127 HB3 ARG 13 3HB ARG 13 -8.134 -7.175 -14.627
128 HG2 ARG 13 2HG ARG 13 -9.530 -9.126 -15.781
129 HG3 ARG 13 3HG ARG 13 -10.731 -8.588 -14.605
130 HD2 ARG 13 2HD ARG 13 -9.685 -6.245 -15.690
131 HD3 ARG 13 3HD ARG 13 -9.863 -7.339 -17.061
132 HE ARG 13 HE ARG 13 -12.188 -7.293 -15.405
133 HH11 ARG 13 1HH1 ARG 13 -10.504 -5.595 -17.934
134 HH12 ARG 13 2HH1 ARG 13 -11.935 -4.851 -18.567
135 HH21 ARG 13 1HH2 ARG 13 -14.080 -6.321 -16.229
136 HH22 ARG 13 2HH2 ARG 13 -13.969 -5.264 -17.596
137 H ASP 14 H ASP 14 -5.889 -10.663 -14.353
138 HA ASP 14 HA ASP 14 -3.782 -8.820 -13.739
139 HB2 ASP 14 2HB ASP 14 -2.333 -10.684 -14.719
140 HB3 ASP 14 3HB ASP 14 -3.288 -11.087 -13.294
141 H ARG 15 H ARG 15 -5.005 -7.337 -15.429
142 HA ARG 15 HA ARG 15 -4.193 -7.820 -18.167
143 HB2 ARG 15 2HB ARG 15 -5.428 -5.833 -18.712
144 HB3 ARG 15 3HB ARG 15 -6.388 -6.783 -17.586
145 HG2 ARG 15 2HG ARG 15 -5.740 -5.325 -15.761
146 HG3 ARG 15 3HG ARG 15 -4.708 -4.396 -16.850
147 HD2 ARG 15 2HD ARG 15 -6.863 -4.056 -18.230
148 HD3 ARG 15 3HD ARG 15 -7.698 -4.560 -16.762
149 HE ARG 15 HE ARG 15 -7.259 -2.507 -15.873
150 HH11 ARG 15 1HH1 ARG 15 -5.053 -3.075 -18.506
151 HH12 ARG 15 2HH1 ARG 15 -4.371 -1.484 -18.449
152 HH21 ARG 15 1HH2 ARG 15 -6.369 -0.408 -15.789
153 HH22 ARG 15 2HH2 ARG 15 -5.119 0.032 -16.903
154 H LEU 16 H LEU 16 -3.009 -6.158 -15.402
155 HA LEU 16 HA LEU 16 -1.322 -4.340 -16.883
156 HB2 LEU 16 2HB LEU 16 -0.718 -3.430 -14.847
157 HB3 LEU 16 3HB LEU 16 -2.369 -3.975 -14.561
158 HG LEU 16 HG LEU 16 -0.863 -6.134 -13.758
159 HD11 LEU 16 1HD1 LEU 16 0.632 -4.701 -12.055
160 HD12 LEU 16 2HD1 LEU 16 0.714 -3.656 -13.472
161 HD13 LEU 16 3HD1 LEU 16 1.241 -5.335 -13.584
162 HD21 LEU 16 1HD2 LEU 16 -1.276 -4.661 -11.458
163 HD22 LEU 16 2HD2 LEU 16 -2.420 -5.776 -12.205
164 HD23 LEU 16 3HD2 LEU 16 -2.501 -4.052 -12.571
165 H GLN 17 H GLN 17 -1.121 -7.534 -15.611
166 HA GLN 17 HA GLN 17 1.586 -7.853 -15.144
167 HB2 GLN 17 2HB GLN 17 -0.679 -9.577 -15.678
168 HB3 GLN 17 3HB GLN 17 0.788 -10.216 -16.408
169 HG2 GLN 17 2HG GLN 17 1.875 -9.851 -14.132
170 HG3 GLN 17 3HG GLN 17 0.234 -9.648 -13.519
171 HE21 GLN 17 1HE2 GLN 17 -0.943 -11.403 -13.075
172 HE22 GLN 17 2HE2 GLN 17 -0.462 -13.029 -13.405
173 H ARG 18 H ARG 18 -0.137 -7.632 -18.175
174 HA ARG 18 HA ARG 18 2.084 -8.504 -19.780
175 HB2 ARG 18 2HB ARG 18 -0.114 -8.882 -20.651
176 HB3 ARG 18 3HB ARG 18 -0.544 -7.188 -20.460
177 HG2 ARG 18 2HG ARG 18 0.612 -6.537 -22.324
178 HG3 ARG 18 3HG ARG 18 1.744 -7.888 -22.227
179 HD2 ARG 18 2HD ARG 18 0.507 -9.077 -23.637
180 HD3 ARG 18 3HD ARG 18 -0.909 -8.890 -22.603
181 HE ARG 18 HE ARG 18 -0.613 -6.518 -24.012
182 HH11 ARG 18 1HH1 ARG 18 -1.230 -9.876 -24.696
183 HH12 ARG 18 2HH1 ARG 18 -2.151 -9.550 -26.126
184 HH21 ARG 18 1HH2 ARG 18 -1.824 -6.076 -25.893
185 HH22 ARG 18 2HH2 ARG 18 -2.488 -7.389 -26.807
186 H GLN 19 H GLN 19 0.707 -5.424 -18.776
187 HA GLN 19 HA GLN 19 2.222 -3.766 -20.477
188 HB2 GLN 19 2HB GLN 19 0.476 -3.433 -18.159
189 HB3 GLN 19 3HB GLN 19 1.781 -2.254 -18.205
190 HG2 GLN 19 2HG GLN 19 0.040 -1.223 -19.343
191 HG3 GLN 19 3HG GLN 19 1.084 -1.839 -20.623
192 HE21 GLN 19 1HE2 GLN 19 -0.072 -2.558 -22.250
193 HE22 GLN 19 2HE2 GLN 19 -1.541 -3.461 -22.142
194 H ALA 20 H ALA 20 2.714 -4.564 -17.035
195 HA ALA 20 HA ALA 20 5.421 -3.503 -17.158
196 HB1 ALA 20 1HB ALA 20 3.541 -3.512 -15.179
197 HB2 ALA 20 2HB ALA 20 4.605 -4.829 -14.683
198 HB3 ALA 20 3HB ALA 20 5.263 -3.213 -14.944
Start of MODEL 4
1 H1 ARG 1 H ARG 1 4.857 -2.583 -1.583
2 HA ARG 1 HA ARG 1 2.685 -0.808 -0.830
3 HB2 ARG 1 2HB ARG 1 4.791 0.263 -1.139
4 HB3 ARG 1 3HB ARG 1 5.036 -0.519 -2.695
5 HG2 ARG 1 2HG ARG 1 3.958 1.093 -3.777
6 HG3 ARG 1 3HG ARG 1 2.604 1.050 -2.647
7 HD2 ARG 1 2HD ARG 1 5.230 2.441 -2.138
8 HD3 ARG 1 3HD ARG 1 3.767 3.238 -2.714
9 HE ARG 1 HE ARG 1 3.013 1.953 -0.418
10 HH11 ARG 1 1HH1 ARG 1 5.423 4.317 -1.267
11 HH12 ARG 1 2HH1 ARG 1 5.413 5.078 0.289
12 HH21 ARG 1 1HH2 ARG 1 2.990 2.946 1.635
13 HH22 ARG 1 2HH2 ARG 1 4.030 4.297 1.940
14 H TRP 2 H TRP 2 3.954 -1.798 -4.012
15 HA TRP 2 HA TRP 2 1.360 -1.420 -5.214
16 HB2 TRP 2 2HB TRP 2 3.386 -0.800 -6.443
17 HB3 TRP 2 3HB TRP 2 3.944 -2.469 -6.388
18 HD1 TRP 2 HD1 TRP 2 2.996 -4.129 -8.181
19 HE1 TRP 2 HE1 TRP 2 1.486 -3.841 -10.245
20 HE3 TRP 2 HE3 TRP 2 1.325 0.623 -7.308
21 HZ2 TRP 2 HZ2 TRP 2 -0.190 -1.861 -11.357
22 HZ3 TRP 2 HZ3 TRP 2 -0.229 1.642 -8.921
23 HH2 TRP 2 HH2 TRP 2 -0.969 0.424 -10.903
24 H LYS 3 H LYS 3 3.069 -3.996 -3.769
25 HA LYS 3 HA LYS 3 2.077 -6.200 -5.189
26 HB2 LYS 3 2HB LYS 3 2.774 -7.531 -3.353
27 HB3 LYS 3 3HB LYS 3 3.912 -6.194 -3.445
28 HG2 LYS 3 2HG LYS 3 2.753 -5.064 -1.627
29 HG3 LYS 3 3HG LYS 3 1.582 -6.383 -1.546
30 HD2 LYS 3 2HD LYS 3 2.953 -7.626 -0.302
31 HD3 LYS 3 3HD LYS 3 4.300 -7.368 -1.413
32 HE2 LYS 3 2HE LYS 3 4.163 -4.946 -0.215
33 HE3 LYS 3 3HE LYS 3 3.616 -5.988 1.098
34 HZ1 LYS 3 1HZ LYS 3 6.242 -5.638 0.048
35 HZ2 LYS 3 2HZ LYS 3 5.796 -7.269 0.042
36 HZ3 LYS 3 3HZ LYS 3 5.752 -6.386 1.484
37 H ARG 4 H ARG 4 0.700 -4.301 -2.566
38 HA ARG 4 HA ARG 4 -1.539 -6.047 -2.167
39 HB2 ARG 4 2HB ARG 4 -0.858 -4.731 -0.301
40 HB3 ARG 4 3HB ARG 4 -0.917 -3.246 -1.242
41 HG2 ARG 4 2HG ARG 4 -3.122 -2.982 -0.927
42 HG3 ARG 4 3HG ARG 4 -3.456 -4.708 -1.087
43 HD2 ARG 4 2HD ARG 4 -2.104 -3.573 1.342
44 HD3 ARG 4 3HD ARG 4 -3.861 -3.618 1.194
45 HE ARG 4 HE ARG 4 -2.626 -6.156 0.700
46 HH11 ARG 4 1HH1 ARG 4 -3.791 -3.995 3.169
47 HH12 ARG 4 2HH1 ARG 4 -4.069 -5.256 4.324
48 HH21 ARG 4 1HH2 ARG 4 -2.988 -7.825 2.213
49 HH22 ARG 4 2HH2 ARG 4 -3.611 -7.433 3.780
50 H HIS 5 H HIS 5 -0.821 -3.327 -4.205
51 HA HIS 5 HA HIS 5 -3.596 -2.896 -4.928
52 HB2 HIS 5 2HB HIS 5 -1.065 -1.483 -5.290
53 HB3 HIS 5 3HB HIS 5 -2.061 -1.481 -6.743
54 HD1 HIS 5 HD1 HIS 5 -2.488 1.066 -6.470
55 HD2 HIS 5 HD2 HIS 5 -3.889 -1.255 -3.323
56 HE1 HIS 5 HE1 HIS 5 -4.006 2.573 -5.148
57 H ILE 6 H ILE 6 -0.932 -4.773 -5.993
58 HA ILE 6 HA ILE 6 -2.138 -5.216 -8.627
59 HB ILE 6 HB ILE 6 0.297 -4.759 -8.517
60 HG12 ILE 6 2HG1 ILE 6 -0.827 -7.287 -9.636
61 HG13 ILE 6 3HG1 ILE 6 -0.208 -5.868 -10.474
62 HG21 ILE 6 1HG2 ILE 6 1.818 -6.112 -7.429
63 HG22 ILE 6 2HG2 ILE 6 0.461 -6.114 -6.303
64 HG23 ILE 6 3HG2 ILE 6 0.716 -7.488 -7.378
65 HD11 ILE 6 1HD1 ILE 6 2.085 -6.565 -9.746
66 HD12 ILE 6 2HD1 ILE 6 1.366 -8.074 -9.182
67 HD13 ILE 6 3HD1 ILE 6 1.292 -7.646 -10.891
68 H SER 7 H SER 7 -1.299 -6.876 -5.641
69 HA SER 7 HA SER 7 -1.696 -9.511 -6.349
70 HB2 SER 7 2HB SER 7 -2.112 -7.989 -3.802
71 HB3 SER 7 3HB SER 7 -2.624 -9.674 -3.893
72 HG SER 7 HG SER 7 -0.019 -8.741 -4.527
73 H GLU 8 H GLU 8 -4.109 -7.075 -5.485
74 HA GLU 8 HA GLU 8 -6.302 -8.931 -5.719
75 HB2 GLU 8 2HB GLU 8 -6.450 -7.082 -4.139
76 HB3 GLU 8 3HB GLU 8 -6.259 -5.921 -5.445
77 HG2 GLU 8 2HG GLU 8 -8.417 -7.441 -6.243
78 HG3 GLU 8 3HG GLU 8 -8.634 -7.286 -4.501
79 H GLN 9 H GLN 9 -4.738 -6.527 -7.727
80 HA GLN 9 HA GLN 9 -6.762 -6.463 -9.739
81 HB2 GLN 9 2HB GLN 9 -5.055 -4.659 -9.323
82 HB3 GLN 9 3HB GLN 9 -3.852 -5.719 -10.044
83 HG2 GLN 9 2HG GLN 9 -4.496 -5.222 -12.113
84 HG3 GLN 9 3HG GLN 9 -6.205 -5.386 -11.715
85 HE21 GLN 9 1HE2 GLN 9 -7.343 -3.586 -10.966
86 HE22 GLN 9 2HE2 GLN 9 -6.755 -1.978 -11.192
87 H LEU 10 H LEU 10 -3.469 -7.840 -9.745
88 HA LEU 10 HA LEU 10 -3.674 -9.207 -12.161
89 HB2 LEU 10 2HB LEU 10 -1.758 -10.444 -11.490
90 HB3 LEU 10 3HB LEU 10 -1.589 -8.804 -10.864
91 HG LEU 10 HG LEU 10 -2.632 -9.939 -8.697
92 HD11 LEU 10 1HD1 LEU 10 -1.117 -12.211 -8.791
93 HD12 LEU 10 2HD1 LEU 10 -1.826 -12.167 -10.405
94 HD13 LEU 10 3HD1 LEU 10 -2.869 -12.143 -8.983
95 HD21 LEU 10 1HD2 LEU 10 -0.634 -8.842 -8.400
96 HD22 LEU 10 2HD2 LEU 10 0.180 -9.747 -9.676
97 HD23 LEU 10 3HD2 LEU 10 -0.146 -10.514 -8.121
98 H ARG 11 H ARG 11 -5.127 -9.878 -9.137
99 HA ARG 11 HA ARG 11 -5.494 -12.700 -9.575
100 HB2 ARG 11 2HB ARG 11 -5.390 -11.989 -7.303
101 HB3 ARG 11 3HB ARG 11 -6.619 -10.758 -7.562
102 HG2 ARG 11 2HG ARG 11 -8.259 -12.182 -7.109
103 HG3 ARG 11 3HG ARG 11 -7.609 -13.392 -8.217
104 HD2 ARG 11 2HD ARG 11 -6.383 -14.432 -6.578
105 HD3 ARG 11 3HD ARG 11 -6.253 -12.971 -5.600
106 HE ARG 11 HE ARG 11 -8.137 -13.621 -4.498
107 HH11 ARG 11 1HH1 ARG 11 -8.059 -15.220 -7.590
108 HH12 ARG 11 2HH1 ARG 11 -9.471 -16.174 -7.278
109 HH21 ARG 11 1HH2 ARG 11 -9.997 -14.872 -4.076
110 HH22 ARG 11 2HH2 ARG 11 -10.573 -15.975 -5.279
111 H ARG 12 H ARG 12 -7.460 -9.776 -9.885
112 HA ARG 12 HA ARG 12 -9.687 -11.343 -10.943
113 HB2 ARG 12 2HB ARG 12 -9.412 -8.429 -10.204
114 HB3 ARG 12 3HB ARG 12 -10.849 -9.098 -10.965
115 HG2 ARG 12 2HG ARG 12 -10.059 -10.626 -8.639
116 HG3 ARG 12 3HG ARG 12 -10.336 -8.927 -8.254
117 HD2 ARG 12 2HD ARG 12 -12.494 -9.252 -9.686
118 HD3 ARG 12 3HD ARG 12 -12.232 -10.962 -9.345
119 HE ARG 12 HE ARG 12 -13.108 -8.933 -7.497
120 HH11 ARG 12 1HH1 ARG 12 -11.625 -12.063 -7.849
121 HH12 ARG 12 2HH1 ARG 12 -12.059 -12.593 -6.257
122 HH21 ARG 12 1HH2 ARG 12 -13.685 -9.618 -5.399
123 HH22 ARG 12 2HH2 ARG 12 -13.231 -11.201 -4.865
124 H ARG 13 H ARG 13 -8.131 -8.281 -11.912
125 HA ARG 13 HA ARG 13 -8.335 -9.184 -14.711
126 HB2 ARG 13 2HB ARG 13 -9.316 -6.772 -13.432
127 HB3 ARG 13 3HB ARG 13 -8.219 -6.394 -14.754
128 HG2 ARG 13 2HG ARG 13 -9.942 -6.645 -16.123
129 HG3 ARG 13 3HG ARG 13 -9.875 -8.373 -15.774
130 HD2 ARG 13 2HD ARG 13 -11.359 -7.930 -13.799
131 HD3 ARG 13 3HD ARG 13 -11.548 -6.282 -14.397
132 HE ARG 13 HE ARG 13 -12.950 -7.065 -16.038
133 HH11 ARG 13 1HH1 ARG 13 -11.306 -9.740 -14.534
134 HH12 ARG 13 2HH1 ARG 13 -12.279 -10.944 -15.311
135 HH21 ARG 13 1HH2 ARG 13 -14.237 -8.641 -17.069
136 HH22 ARG 13 2HH2 ARG 13 -13.945 -10.318 -16.754
137 H ASP 14 H ASP 14 -6.201 -10.026 -14.579
138 HA ASP 14 HA ASP 14 -3.988 -8.338 -13.889
139 HB2 ASP 14 2HB ASP 14 -2.648 -10.259 -14.908
140 HB3 ASP 14 3HB ASP 14 -3.647 -10.646 -13.510
141 H ARG 15 H ARG 15 -5.099 -6.732 -15.544
142 HA ARG 15 HA ARG 15 -4.300 -7.181 -18.290
143 HB2 ARG 15 2HB ARG 15 -5.310 -4.989 -18.718
144 HB3 ARG 15 3HB ARG 15 -6.406 -6.033 -17.823
145 HG2 ARG 15 2HG ARG 15 -6.683 -4.290 -16.466
146 HG3 ARG 15 3HG ARG 15 -5.093 -4.703 -15.822
147 HD2 ARG 15 2HD ARG 15 -4.625 -2.561 -16.352
148 HD3 ARG 15 3HD ARG 15 -4.367 -3.240 -17.959
149 HE ARG 15 HE ARG 15 -6.224 -2.122 -18.689
150 HH11 ARG 15 1HH1 ARG 15 -6.243 -2.207 -15.209
151 HH12 ARG 15 2HH1 ARG 15 -7.595 -1.135 -15.060
152 HH21 ARG 15 1HH2 ARG 15 -8.005 -0.709 -18.506
153 HH22 ARG 15 2HH2 ARG 15 -8.598 -0.284 -16.936
154 H LEU 16 H LEU 16 -3.007 -5.712 -15.469
155 HA LEU 16 HA LEU 16 -1.183 -3.976 -16.892
156 HB2 LEU 16 2HB LEU 16 -0.536 -3.161 -14.829
157 HB3 LEU 16 3HB LEU 16 -2.224 -3.594 -14.568
158 HG LEU 16 HG LEU 16 -0.853 -5.872 -13.818
159 HD11 LEU 16 1HD1 LEU 16 0.670 -4.581 -12.036
160 HD12 LEU 16 2HD1 LEU 16 0.828 -3.480 -13.404
161 HD13 LEU 16 3HD1 LEU 16 1.283 -5.174 -13.580
162 HD21 LEU 16 1HD2 LEU 16 -1.252 -4.489 -11.474
163 HD22 LEU 16 2HD2 LEU 16 -2.450 -5.477 -12.310
164 HD23 LEU 16 3HD2 LEU 16 -2.397 -3.735 -12.584
165 H GLN 17 H GLN 17 -1.237 -7.211 -15.725
166 HA GLN 17 HA GLN 17 1.451 -7.725 -15.252
167 HB2 GLN 17 2HB GLN 17 -0.562 -9.271 -14.933
168 HB3 GLN 17 3HB GLN 17 -0.384 -9.672 -16.636
169 HG2 GLN 17 2HG GLN 17 2.153 -9.906 -15.357
170 HG3 GLN 17 3HG GLN 17 0.949 -10.796 -14.426
171 HE21 GLN 17 1HE2 GLN 17 1.210 -12.856 -14.934
172 HE22 GLN 17 2HE2 GLN 17 1.285 -13.499 -16.536
173 H ARG 18 H ARG 18 -0.252 -7.274 -18.255
174 HA ARG 18 HA ARG 18 1.807 -8.365 -19.922
175 HB2 ARG 18 2HB ARG 18 -0.539 -8.281 -20.652
176 HB3 ARG 18 3HB ARG 18 -0.490 -6.523 -20.611
177 HG2 ARG 18 2HG ARG 18 -0.245 -7.127 -22.869
178 HG3 ARG 18 3HG ARG 18 1.366 -6.662 -22.319
179 HD2 ARG 18 2HD ARG 18 1.419 -8.697 -23.685
180 HD3 ARG 18 3HD ARG 18 1.967 -8.999 -22.036
181 HE ARG 18 HE ARG 18 -0.820 -9.530 -22.370
182 HH11 ARG 18 1HH1 ARG 18 2.373 -10.832 -22.855
183 HH12 ARG 18 2HH1 ARG 18 1.851 -12.483 -22.791
184 HH21 ARG 18 1HH2 ARG 18 -1.519 -11.700 -22.284
185 HH22 ARG 18 2HH2 ARG 18 -0.362 -12.975 -22.467
186 H GLN 19 H GLN 19 1.012 -5.204 -18.645
187 HA GLN 19 HA GLN 19 2.836 -3.772 -20.326
188 HB2 GLN 19 2HB GLN 19 1.089 -3.125 -18.010
189 HB3 GLN 19 3HB GLN 19 2.452 -2.054 -18.311
190 HG2 GLN 19 2HG GLN 19 1.574 -1.995 -20.736
191 HG3 GLN 19 3HG GLN 19 0.079 -2.617 -20.038
192 HE21 GLN 19 1HE2 GLN 19 2.478 -0.054 -19.545
193 HE22 GLN 19 2HE2 GLN 19 1.340 1.161 -19.085
194 H ALA 20 H ALA 20 2.862 -4.644 -16.869
195 HA ALA 20 HA ALA 20 5.777 -4.229 -16.870
196 HB1 ALA 20 1HB ALA 20 3.985 -4.377 -14.455
197 HB2 ALA 20 2HB ALA 20 5.660 -3.827 -14.529
198 HB3 ALA 20 3HB ALA 20 4.384 -2.872 -15.285
Start of MODEL 5
1 H1 ARG 1 H ARG 1 2.625 -1.042 0.672
2 HA ARG 1 HA ARG 1 2.792 0.461 -1.444
3 HB2 ARG 1 2HB ARG 1 3.693 -2.418 -1.362
4 HB3 ARG 1 3HB ARG 1 4.160 -1.305 -2.642
5 HG2 ARG 1 2HG ARG 1 5.258 0.133 -1.030
6 HG3 ARG 1 3HG ARG 1 4.735 -0.917 0.288
7 HD2 ARG 1 2HD ARG 1 6.179 -2.624 -0.329
8 HD3 ARG 1 3HD ARG 1 6.333 -2.029 -1.981
9 HE ARG 1 HE ARG 1 8.092 -0.755 -1.294
10 HH11 ARG 1 1HH1 ARG 1 6.169 -1.582 1.488
11 HH12 ARG 1 2HH1 ARG 1 7.268 -0.869 2.622
12 HH21 ARG 1 1HH2 ARG 1 9.546 0.188 0.189
13 HH22 ARG 1 2HH2 ARG 1 9.188 0.139 1.882
14 H TRP 2 H TRP 2 2.913 -0.465 -3.903
15 HA TRP 2 HA TRP 2 0.169 -0.661 -4.686
16 HB2 TRP 2 2HB TRP 2 1.774 0.625 -6.015
17 HB3 TRP 2 3HB TRP 2 2.698 -0.840 -6.338
18 HD1 TRP 2 HD1 TRP 2 1.846 -2.424 -8.254
19 HE1 TRP 2 HE1 TRP 2 0.009 -2.204 -10.044
20 HE3 TRP 2 HE3 TRP 2 -0.626 1.641 -6.383
21 HZ2 TRP 2 HZ2 TRP 2 -2.196 -0.528 -10.590
22 HZ3 TRP 2 HZ3 TRP 2 -2.589 2.490 -7.600
23 HH2 TRP 2 HH2 TRP 2 -3.356 1.427 -9.660
24 H LYS 3 H LYS 3 2.627 -2.921 -3.973
25 HA LYS 3 HA LYS 3 1.926 -5.058 -5.649
26 HB2 LYS 3 2HB LYS 3 3.207 -6.438 -4.206
27 HB3 LYS 3 3HB LYS 3 3.986 -4.861 -4.189
28 HG2 LYS 3 2HG LYS 3 2.935 -4.349 -2.054
29 HG3 LYS 3 3HG LYS 3 2.116 -5.912 -2.074
30 HD2 LYS 3 2HD LYS 3 3.899 -6.887 -1.172
31 HD3 LYS 3 3HD LYS 3 4.913 -6.316 -2.499
32 HE2 LYS 3 2HE LYS 3 5.438 -4.313 -1.359
33 HE3 LYS 3 3HE LYS 3 4.167 -4.573 -0.165
34 HZ1 LYS 3 1HZ LYS 3 5.624 -5.623 1.102
35 HZ2 LYS 3 2HZ LYS 3 6.843 -5.374 -0.044
36 HZ3 LYS 3 3HZ LYS 3 5.895 -6.774 -0.108
37 H ARG 4 H ARG 4 0.626 -3.983 -2.562
38 HA ARG 4 HA ARG 4 -1.060 -6.274 -2.209
39 HB2 ARG 4 2HB ARG 4 -0.387 -5.123 -0.235
40 HB3 ARG 4 3HB ARG 4 -0.937 -3.577 -0.867
41 HG2 ARG 4 2HG ARG 4 -3.083 -3.947 -0.285
42 HG3 ARG 4 3HG ARG 4 -2.989 -5.678 -0.617
43 HD2 ARG 4 2HD ARG 4 -2.533 -6.158 1.514
44 HD3 ARG 4 3HD ARG 4 -1.311 -4.891 1.616
45 HE ARG 4 HE ARG 4 -2.859 -3.536 2.614
46 HH11 ARG 4 1HH1 ARG 4 -4.504 -6.178 1.055
47 HH12 ARG 4 2HH1 ARG 4 -6.055 -5.773 1.713
48 HH21 ARG 4 1HH2 ARG 4 -4.895 -2.992 3.487
49 HH22 ARG 4 2HH2 ARG 4 -6.276 -3.960 3.096
50 H HIS 5 H HIS 5 -1.332 -3.187 -3.779
51 HA HIS 5 HA HIS 5 -4.214 -3.365 -4.046
52 HB2 HIS 5 2HB HIS 5 -2.307 -1.281 -4.170
53 HB3 HIS 5 3HB HIS 5 -3.047 -1.381 -5.765
54 HD1 HIS 5 HD1 HIS 5 -4.812 0.338 -5.878
55 HD2 HIS 5 HD2 HIS 5 -4.748 -1.558 -2.182
56 HE1 HIS 5 HE1 HIS 5 -6.736 1.316 -4.587
57 H ILE 6 H ILE 6 -1.413 -4.321 -5.780
58 HA ILE 6 HA ILE 6 -2.918 -4.656 -8.271
59 HB ILE 6 HB ILE 6 -0.667 -3.620 -8.390
60 HG12 ILE 6 2HG1 ILE 6 -1.372 -6.146 -9.814
61 HG13 ILE 6 3HG1 ILE 6 -1.227 -4.508 -10.442
62 HG21 ILE 6 1HG2 ILE 6 0.173 -5.211 -6.511
63 HG22 ILE 6 2HG2 ILE 6 0.544 -6.296 -7.850
64 HG23 ILE 6 3HG2 ILE 6 1.282 -4.696 -7.782
65 HD11 ILE 6 1HD1 ILE 6 1.252 -4.726 -10.149
66 HD12 ILE 6 2HD1 ILE 6 0.984 -6.433 -9.796
67 HD13 ILE 6 3HD1 ILE 6 0.536 -5.778 -11.370
68 H SER 7 H SER 7 -1.244 -6.478 -5.773
69 HA SER 7 HA SER 7 -1.136 -8.990 -6.902
70 HB2 SER 7 2HB SER 7 -0.116 -8.714 -4.786
71 HB3 SER 7 3HB SER 7 -1.603 -8.110 -4.056
72 HG SER 7 HG SER 7 -1.479 -10.190 -3.411
73 H GLU 8 H GLU 8 -3.866 -7.432 -5.273
74 HA GLU 8 HA GLU 8 -5.581 -9.720 -5.616
75 HB2 GLU 8 2HB GLU 8 -5.908 -8.286 -3.689
76 HB3 GLU 8 3HB GLU 8 -6.159 -6.890 -4.728
77 HG2 GLU 8 2HG GLU 8 -8.034 -8.758 -5.582
78 HG3 GLU 8 3HG GLU 8 -8.040 -8.873 -3.823
79 H GLN 9 H GLN 9 -4.993 -6.681 -7.260
80 HA GLN 9 HA GLN 9 -7.278 -6.795 -8.953
81 HB2 GLN 9 2HB GLN 9 -6.260 -4.666 -8.607
82 HB3 GLN 9 3HB GLN 9 -4.686 -5.263 -9.116
83 HG2 GLN 9 2HG GLN 9 -5.100 -4.769 -11.232
84 HG3 GLN 9 3HG GLN 9 -6.635 -5.635 -11.197
85 HE21 GLN 9 1HE2 GLN 9 -8.453 -4.497 -11.294
86 HE22 GLN 9 2HE2 GLN 9 -8.570 -2.781 -11.141
87 H LEU 10 H LEU 10 -3.819 -7.298 -9.678
88 HA LEU 10 HA LEU 10 -4.150 -8.277 -12.260
89 HB2 LEU 10 2HB LEU 10 -1.921 -9.085 -12.116
90 HB3 LEU 10 3HB LEU 10 -2.005 -7.583 -11.199
91 HG LEU 10 HG LEU 10 -2.371 -9.286 -9.188
92 HD11 LEU 10 1HD1 LEU 10 -0.338 -10.962 -10.297
93 HD12 LEU 10 2HD1 LEU 10 -1.769 -11.011 -11.326
94 HD13 LEU 10 3HD1 LEU 10 -1.901 -11.409 -9.613
95 HD21 LEU 10 1HD2 LEU 10 -0.645 -7.788 -8.943
96 HD22 LEU 10 2HD2 LEU 10 0.109 -8.237 -10.473
97 HD23 LEU 10 3HD2 LEU 10 0.241 -9.307 -9.076
98 H ARG 11 H ARG 11 -4.807 -9.771 -9.242
99 HA ARG 11 HA ARG 11 -4.547 -12.485 -10.013
100 HB2 ARG 11 2HB ARG 11 -4.598 -11.995 -7.685
101 HB3 ARG 11 3HB ARG 11 -6.118 -11.122 -7.832
102 HG2 ARG 11 2HG ARG 11 -7.363 -13.002 -7.775
103 HG3 ARG 11 3HG ARG 11 -6.161 -13.955 -8.648
104 HD2 ARG 11 2HD ARG 11 -5.517 -14.852 -6.723
105 HD3 ARG 11 3HD ARG 11 -5.004 -13.256 -6.178
106 HE ARG 11 HE ARG 11 -7.817 -13.749 -5.841
107 HH11 ARG 11 1HH1 ARG 11 -4.654 -14.100 -4.428
108 HH12 ARG 11 2HH1 ARG 11 -5.248 -14.192 -2.803
109 HH21 ARG 11 1HH2 ARG 11 -8.610 -13.869 -3.706
110 HH22 ARG 11 2HH2 ARG 11 -7.498 -14.061 -2.394
111 H ARG 12 H ARG 12 -7.421 -10.395 -9.712
112 HA ARG 12 HA ARG 12 -9.083 -12.351 -11.035
113 HB2 ARG 12 2HB ARG 12 -9.737 -9.508 -10.243
114 HB3 ARG 12 3HB ARG 12 -10.888 -10.755 -10.703
115 HG2 ARG 12 2HG ARG 12 -9.717 -12.022 -8.677
116 HG3 ARG 12 3HG ARG 12 -9.430 -10.358 -8.162
117 HD2 ARG 12 2HD ARG 12 -12.155 -11.017 -9.110
118 HD3 ARG 12 3HD ARG 12 -11.661 -11.710 -7.566
119 HE ARG 12 HE ARG 12 -11.043 -8.964 -7.606
120 HH11 ARG 12 1HH1 ARG 12 -13.773 -11.119 -7.447
121 HH12 ARG 12 2HH1 ARG 12 -14.768 -10.004 -6.570
122 HH21 ARG 12 1HH2 ARG 12 -12.343 -7.488 -6.450
123 HH22 ARG 12 2HH2 ARG 12 -13.954 -7.939 -6.004
124 H ARG 13 H ARG 13 -7.769 -9.141 -11.774
125 HA ARG 13 HA ARG 13 -8.409 -9.631 -14.609
126 HB2 ARG 13 2HB ARG 13 -9.054 -7.376 -12.907
127 HB3 ARG 13 3HB ARG 13 -8.099 -6.870 -14.295
128 HG2 ARG 13 2HG ARG 13 -9.863 -8.420 -15.556
129 HG3 ARG 13 3HG ARG 13 -10.848 -7.946 -14.170
130 HD2 ARG 13 2HD ARG 13 -9.943 -5.550 -14.766
131 HD3 ARG 13 3HD ARG 13 -9.703 -6.274 -16.355
132 HE ARG 13 HE ARG 13 -11.968 -6.244 -16.669
133 HH11 ARG 13 1HH1 ARG 13 -11.284 -5.807 -13.283
134 HH12 ARG 13 2HH1 ARG 13 -12.929 -5.460 -12.863
135 HH21 ARG 13 1HH2 ARG 13 -14.136 -5.788 -16.128
136 HH22 ARG 13 2HH2 ARG 13 -14.550 -5.450 -14.481
137 H ASP 14 H ASP 14 -6.332 -10.604 -14.854
138 HA ASP 14 HA ASP 14 -3.941 -9.133 -14.275
139 HB2 ASP 14 2HB ASP 14 -2.881 -10.976 -15.700
140 HB3 ASP 14 3HB ASP 14 -3.700 -11.481 -14.225
141 H ARG 15 H ARG 15 -5.142 -7.274 -15.561
142 HA ARG 15 HA ARG 15 -4.531 -7.425 -18.416
143 HB2 ARG 15 2HB ARG 15 -6.713 -6.553 -17.897
144 HB3 ARG 15 3HB ARG 15 -6.033 -5.388 -16.769
145 HG2 ARG 15 2HG ARG 15 -6.675 -4.303 -18.834
146 HG3 ARG 15 3HG ARG 15 -4.924 -4.242 -18.624
147 HD2 ARG 15 2HD ARG 15 -4.589 -5.342 -20.528
148 HD3 ARG 15 3HD ARG 15 -5.702 -6.622 -20.047
149 HE ARG 15 HE ARG 15 -7.227 -4.433 -20.847
150 HH11 ARG 15 1HH1 ARG 15 -4.986 -6.710 -22.231
151 HH12 ARG 15 2HH1 ARG 15 -5.693 -6.643 -23.811
152 HH21 ARG 15 1HH2 ARG 15 -8.165 -4.336 -22.923
153 HH22 ARG 15 2HH2 ARG 15 -7.500 -5.292 -24.204
154 H LEU 16 H LEU 16 -3.609 -5.692 -15.498
155 HA LEU 16 HA LEU 16 -1.763 -3.980 -16.935
156 HB2 LEU 16 2HB LEU 16 -1.509 -2.798 -14.979
157 HB3 LEU 16 3HB LEU 16 -3.157 -3.404 -14.829
158 HG LEU 16 HG LEU 16 -1.831 -5.360 -13.542
159 HD11 LEU 16 1HD1 LEU 16 -0.026 -3.051 -13.640
160 HD12 LEU 16 2HD1 LEU 16 0.312 -4.748 -13.301
161 HD13 LEU 16 3HD1 LEU 16 -0.311 -3.703 -12.026
162 HD21 LEU 16 1HD2 LEU 16 -3.253 -4.665 -11.991
163 HD22 LEU 16 2HD2 LEU 16 -3.487 -3.161 -12.881
164 HD23 LEU 16 3HD2 LEU 16 -2.226 -3.272 -11.652
165 H GLN 17 H GLN 17 -1.718 -6.961 -15.176
166 HA GLN 17 HA GLN 17 0.926 -7.120 -14.359
167 HB2 GLN 17 2HB GLN 17 -1.173 -8.800 -14.239
168 HB3 GLN 17 3HB GLN 17 -0.257 -9.576 -15.524
169 HG2 GLN 17 2HG GLN 17 0.975 -8.842 -12.889
170 HG3 GLN 17 3HG GLN 17 0.162 -10.381 -13.162
171 HE21 GLN 17 1HE2 GLN 17 0.982 -11.715 -14.928
172 HE22 GLN 17 2HE2 GLN 17 2.673 -11.684 -15.278
173 H ARG 18 H ARG 18 -0.451 -7.436 -17.548
174 HA ARG 18 HA ARG 18 1.871 -8.589 -18.757
175 HB2 ARG 18 2HB ARG 18 -0.250 -8.960 -19.812
176 HB3 ARG 18 3HB ARG 18 -0.568 -7.233 -19.907
177 HG2 ARG 18 2HG ARG 18 0.568 -7.015 -21.814
178 HG3 ARG 18 3HG ARG 18 1.893 -8.034 -21.250
179 HD2 ARG 18 2HD ARG 18 0.201 -9.974 -21.596
180 HD3 ARG 18 3HD ARG 18 -0.651 -8.815 -22.616
181 HE ARG 18 HE ARG 18 1.863 -8.699 -23.572
182 HH11 ARG 18 1HH1 ARG 18 -0.280 -11.357 -22.892
183 HH12 ARG 18 2HH1 ARG 18 0.374 -12.372 -24.135
184 HH21 ARG 18 1HH2 ARG 18 2.732 -10.025 -25.211
185 HH22 ARG 18 2HH2 ARG 18 2.088 -11.614 -25.453
186 H GLN 19 H GLN 19 0.765 -5.362 -18.079
187 HA GLN 19 HA GLN 19 2.668 -4.098 -19.843
188 HB2 GLN 19 2HB GLN 19 0.615 -2.931 -19.515
189 HB3 GLN 19 3HB GLN 19 0.759 -3.036 -17.765
190 HG2 GLN 19 2HG GLN 19 1.975 -1.181 -17.650
191 HG3 GLN 19 3HG GLN 19 3.020 -1.685 -18.978
192 HE21 GLN 19 1HE2 GLN 19 2.452 -1.140 -21.098
193 HE22 GLN 19 2HE2 GLN 19 1.327 0.126 -21.440
194 H ALA 20 H ALA 20 2.300 -4.579 -16.351
195 HA ALA 20 HA ALA 20 3.764 -4.400 -14.617
196 HB1 ALA 20 1HB ALA 20 5.623 -5.110 -16.868
197 HB2 ALA 20 2HB ALA 20 6.183 -4.924 -15.206
198 HB3 ALA 20 3HB ALA 20 4.982 -6.154 -15.599
Start of MODEL 6
1 H1 ARG 1 H ARG 1 4.979 -1.555 -0.811
2 HA ARG 1 HA ARG 1 2.528 -1.889 -0.369
3 HB2 ARG 1 2HB ARG 1 1.876 0.408 -0.705
4 HB3 ARG 1 3HB ARG 1 3.560 0.367 -0.200
5 HG2 ARG 1 2HG ARG 1 4.193 0.573 -2.615
6 HG3 ARG 1 3HG ARG 1 2.486 0.852 -2.965
7 HD2 ARG 1 2HD ARG 1 2.515 2.779 -1.430
8 HD3 ARG 1 3HD ARG 1 4.235 2.512 -1.153
9 HE ARG 1 HE ARG 1 3.036 3.795 -3.407
10 HH11 ARG 1 1HH1 ARG 1 5.762 1.897 -2.365
11 HH12 ARG 1 2HH1 ARG 1 6.811 2.479 -3.615
12 HH21 ARG 1 1HH2 ARG 1 4.408 4.568 -5.058
13 HH22 ARG 1 2HH2 ARG 1 6.040 3.999 -5.146
14 H TRP 2 H TRP 2 3.525 -1.275 -3.697
15 HA TRP 2 HA TRP 2 0.974 -1.300 -4.873
16 HB2 TRP 2 2HB TRP 2 2.966 -0.492 -6.052
17 HB3 TRP 2 3HB TRP 2 3.631 -2.123 -6.065
18 HD1 TRP 2 HD1 TRP 2 2.856 -3.727 -7.973
19 HE1 TRP 2 HE1 TRP 2 1.325 -3.457 -10.024
20 HE3 TRP 2 HE3 TRP 2 0.751 0.788 -6.824
21 HZ2 TRP 2 HZ2 TRP 2 -0.530 -1.578 -11.023
22 HZ3 TRP 2 HZ3 TRP 2 -0.892 1.753 -8.380
23 HH2 TRP 2 HH2 TRP 2 -1.518 0.593 -10.436
24 H LYS 3 H LYS 3 2.846 -3.812 -3.519
25 HA LYS 3 HA LYS 3 2.027 -6.019 -5.038
26 HB2 LYS 3 2HB LYS 3 2.789 -7.372 -3.246
27 HB3 LYS 3 3HB LYS 3 3.830 -5.954 -3.259
28 HG2 LYS 3 2HG LYS 3 2.572 -4.990 -1.416
29 HG3 LYS 3 3HG LYS 3 1.483 -6.380 -1.420
30 HD2 LYS 3 2HD LYS 3 4.262 -7.187 -1.266
31 HD3 LYS 3 3HD LYS 3 3.820 -6.103 0.055
32 HE2 LYS 3 2HE LYS 3 1.805 -8.139 -0.479
33 HE3 LYS 3 3HE LYS 3 3.370 -8.820 -0.038
34 HZ1 LYS 3 1HZ LYS 3 2.052 -6.686 1.539
35 HZ2 LYS 3 2HZ LYS 3 3.358 -7.659 1.996
36 HZ3 LYS 3 3HZ LYS 3 1.813 -8.332 1.851
37 H ARG 4 H ARG 4 0.473 -4.314 -2.384
38 HA ARG 4 HA ARG 4 -1.643 -6.229 -2.089
39 HB2 ARG 4 2HB ARG 4 -1.086 -4.944 -0.162
40 HB3 ARG 4 3HB ARG 4 -1.233 -3.431 -1.045
41 HG2 ARG 4 2HG ARG 4 -3.443 -3.318 -0.726
42 HG3 ARG 4 3HG ARG 4 -3.672 -5.042 -1.025
43 HD2 ARG 4 2HD ARG 4 -2.362 -4.150 1.503
44 HD3 ARG 4 3HD ARG 4 -4.114 -4.032 1.349
45 HE ARG 4 HE ARG 4 -3.536 -6.584 0.582
46 HH11 ARG 4 1HH1 ARG 4 -2.893 -4.664 3.413
47 HH12 ARG 4 2HH1 ARG 4 -2.897 -6.018 4.493
48 HH21 ARG 4 1HH2 ARG 4 -3.544 -8.376 1.994
49 HH22 ARG 4 2HH2 ARG 4 -3.266 -8.130 3.684
50 H HIS 5 H HIS 5 -1.086 -3.376 -3.996
51 HA HIS 5 HA HIS 5 -3.872 -3.118 -4.761
52 HB2 HIS 5 2HB HIS 5 -1.377 -1.570 -5.212
53 HB3 HIS 5 3HB HIS 5 -2.622 -1.449 -6.452
54 HD1 HIS 5 HD1 HIS 5 -4.651 -0.034 -5.933
55 HD2 HIS 5 HD2 HIS 5 -2.173 -0.585 -2.644
56 HE1 HIS 5 HE1 HIS 5 -5.515 1.537 -4.170
57 H ILE 6 H ILE 6 -1.075 -4.774 -5.831
58 HA ILE 6 HA ILE 6 -2.190 -5.179 -8.512
59 HB ILE 6 HB ILE 6 0.204 -4.556 -8.329
60 HG12 ILE 6 2HG1 ILE 6 -0.709 -7.113 -9.574
61 HG13 ILE 6 3HG1 ILE 6 -0.194 -5.615 -10.342
62 HG21 ILE 6 1HG2 ILE 6 0.799 -7.296 -7.302
63 HG22 ILE 6 2HG2 ILE 6 1.795 -5.842 -7.264
64 HG23 ILE 6 3HG2 ILE 6 0.419 -5.997 -6.171
65 HD11 ILE 6 1HD1 ILE 6 2.137 -6.156 -9.608
66 HD12 ILE 6 2HD1 ILE 6 1.535 -7.739 -9.114
67 HD13 ILE 6 3HD1 ILE 6 1.448 -7.251 -10.806
68 H SER 7 H SER 7 -1.282 -6.905 -5.583
69 HA SER 7 HA SER 7 -1.479 -9.527 -6.406
70 HB2 SER 7 2HB SER 7 -0.754 -9.066 -4.175
71 HB3 SER 7 3HB SER 7 -2.266 -8.247 -3.784
72 HG SER 7 HG SER 7 -1.772 -11.000 -4.121
73 H GLU 8 H GLU 8 -4.078 -7.309 -5.496
74 HA GLU 8 HA GLU 8 -6.125 -9.305 -5.857
75 HB2 GLU 8 2HB GLU 8 -6.578 -7.647 -4.214
76 HB3 GLU 8 3HB GLU 8 -6.193 -6.340 -5.324
77 HG2 GLU 8 2HG GLU 8 -8.265 -6.265 -6.118
78 HG3 GLU 8 3HG GLU 8 -8.345 -8.016 -6.305
79 H GLN 9 H GLN 9 -4.651 -6.769 -7.746
80 HA GLN 9 HA GLN 9 -6.651 -6.739 -9.794
81 HB2 GLN 9 2HB GLN 9 -5.151 -4.816 -9.316
82 HB3 GLN 9 3HB GLN 9 -3.794 -5.760 -9.916
83 HG2 GLN 9 2HG GLN 9 -4.422 -5.548 -12.090
84 HG3 GLN 9 3HG GLN 9 -6.137 -5.432 -11.700
85 HE21 GLN 9 1HE2 GLN 9 -4.044 -3.770 -13.241
86 HE22 GLN 9 2HE2 GLN 9 -4.365 -2.156 -12.715
87 H LEU 10 H LEU 10 -3.263 -7.864 -9.796
88 HA LEU 10 HA LEU 10 -3.317 -9.145 -12.259
89 HB2 LEU 10 2HB LEU 10 -1.345 -10.301 -11.570
90 HB3 LEU 10 3HB LEU 10 -1.291 -8.666 -10.916
91 HG LEU 10 HG LEU 10 -2.318 -9.912 -8.794
92 HD11 LEU 10 1HD1 LEU 10 -1.427 -12.044 -10.527
93 HD12 LEU 10 2HD1 LEU 10 -2.325 -12.122 -9.011
94 HD13 LEU 10 3HD1 LEU 10 -0.563 -12.056 -8.990
95 HD21 LEU 10 1HD2 LEU 10 -0.424 -8.693 -8.387
96 HD22 LEU 10 2HD2 LEU 10 0.483 -9.455 -9.693
97 HD23 LEU 10 3HD2 LEU 10 0.207 -10.328 -8.185
98 H ARG 11 H ARG 11 -4.772 -10.057 -9.293
99 HA ARG 11 HA ARG 11 -4.944 -12.870 -9.871
100 HB2 ARG 11 2HB ARG 11 -4.934 -12.260 -7.567
101 HB3 ARG 11 3HB ARG 11 -6.239 -11.104 -7.798
102 HG2 ARG 11 2HG ARG 11 -7.790 -12.656 -7.459
103 HG3 ARG 11 3HG ARG 11 -7.024 -13.772 -8.591
104 HD2 ARG 11 2HD ARG 11 -7.182 -14.623 -6.250
105 HD3 ARG 11 3HD ARG 11 -5.544 -14.581 -6.902
106 HE ARG 11 HE ARG 11 -4.985 -13.040 -5.304
107 HH11 ARG 11 1HH1 ARG 11 -8.453 -13.265 -5.510
108 HH12 ARG 11 2HH1 ARG 11 -8.731 -12.272 -4.118
109 HH21 ARG 11 1HH2 ARG 11 -5.337 -11.731 -3.470
110 HH22 ARG 11 2HH2 ARG 11 -6.958 -11.400 -2.958
111 H ARG 12 H ARG 12 -7.088 -10.070 -10.110
112 HA ARG 12 HA ARG 12 -9.189 -11.730 -11.275
113 HB2 ARG 12 2HB ARG 12 -9.215 -9.457 -9.647
114 HB3 ARG 12 3HB ARG 12 -9.754 -8.889 -11.221
115 HG2 ARG 12 2HG ARG 12 -11.473 -10.653 -11.241
116 HG3 ARG 12 3HG ARG 12 -10.959 -11.137 -9.623
117 HD2 ARG 12 2HD ARG 12 -11.575 -8.276 -9.975
118 HD3 ARG 12 3HD ARG 12 -12.945 -9.377 -10.115
119 HE ARG 12 HE ARG 12 -11.372 -9.940 -7.809
120 HH11 ARG 12 1HH1 ARG 12 -13.794 -7.784 -9.077
121 HH12 ARG 12 2HH1 ARG 12 -14.454 -7.401 -7.522
122 HH21 ARG 12 1HH2 ARG 12 -12.233 -9.443 -5.756
123 HH22 ARG 12 2HH2 ARG 12 -13.565 -8.344 -5.633
124 H ARG 13 H ARG 13 -7.820 -8.538 -12.094
125 HA ARG 13 HA ARG 13 -7.899 -9.346 -14.928
126 HB2 ARG 13 2HB ARG 13 -9.077 -7.059 -13.588
127 HB3 ARG 13 3HB ARG 13 -7.979 -6.555 -14.867
128 HG2 ARG 13 2HG ARG 13 -9.650 -6.872 -16.287
129 HG3 ARG 13 3HG ARG 13 -9.465 -8.604 -16.003
130 HD2 ARG 13 2HD ARG 13 -10.970 -8.122 -13.921
131 HD3 ARG 13 3HD ARG 13 -11.427 -6.682 -14.830
132 HE ARG 13 HE ARG 13 -11.662 -8.876 -16.533
133 HH11 ARG 13 1HH1 ARG 13 -13.124 -7.641 -13.625
134 HH12 ARG 13 2HH1 ARG 13 -14.668 -8.363 -13.939
135 HH21 ARG 13 1HH2 ARG 13 -13.689 -9.832 -16.957
136 HH22 ARG 13 2HH2 ARG 13 -14.988 -9.610 -15.834
137 H ASP 14 H ASP 14 -5.713 -10.041 -14.773
138 HA ASP 14 HA ASP 14 -3.642 -8.230 -13.967
139 HB2 ASP 14 2HB ASP 14 -2.147 -10.013 -15.024
140 HB3 ASP 14 3HB ASP 14 -3.144 -10.519 -13.663
141 H ARG 15 H ARG 15 -4.823 -6.642 -15.589
142 HA ARG 15 HA ARG 15 -4.078 -6.919 -18.345
143 HB2 ARG 15 2HB ARG 15 -5.002 -4.669 -18.606
144 HB3 ARG 15 3HB ARG 15 -6.100 -5.699 -17.697
145 HG2 ARG 15 2HG ARG 15 -4.720 -4.586 -15.674
146 HG3 ARG 15 3HG ARG 15 -4.637 -3.286 -16.865
147 HD2 ARG 15 2HD ARG 15 -7.174 -3.671 -17.128
148 HD3 ARG 15 3HD ARG 15 -7.049 -4.534 -15.595
149 HE ARG 15 HE ARG 15 -6.887 -2.521 -14.539
150 HH11 ARG 15 1HH1 ARG 15 -6.075 -2.084 -17.896
151 HH12 ARG 15 2HH1 ARG 15 -5.952 -0.360 -17.776
152 HH21 ARG 15 1HH2 ARG 15 -6.728 -0.252 -14.369
153 HH22 ARG 15 2HH2 ARG 15 -6.322 0.681 -15.769
154 H LEU 16 H LEU 16 -2.666 -5.518 -15.506
155 HA LEU 16 HA LEU 16 -0.795 -3.857 -16.929
156 HB2 LEU 16 2HB LEU 16 -0.056 -3.141 -14.870
157 HB3 LEU 16 3HB LEU 16 -1.736 -3.558 -14.539
158 HG LEU 16 HG LEU 16 0.610 -5.351 -13.923
159 HD11 LEU 16 1HD1 LEU 16 -0.942 -3.962 -11.806
160 HD12 LEU 16 2HD1 LEU 16 0.286 -3.044 -12.676
161 HD13 LEU 16 3HD1 LEU 16 0.734 -4.513 -11.808
162 HD21 LEU 16 1HD2 LEU 16 -1.306 -6.213 -12.323
163 HD22 LEU 16 2HD2 LEU 16 -1.161 -6.790 -13.984
164 HD23 LEU 16 3HD2 LEU 16 -2.337 -5.537 -13.585
165 H GLN 17 H GLN 17 -0.945 -7.134 -15.898
166 HA GLN 17 HA GLN 17 1.714 -7.803 -15.529
167 HB2 GLN 17 2HB GLN 17 0.015 -9.428 -15.091
168 HB3 GLN 17 3HB GLN 17 -0.547 -9.380 -16.756
169 HG2 GLN 17 2HG GLN 17 1.388 -10.500 -17.536
170 HG3 GLN 17 3HG GLN 17 2.201 -10.313 -15.983
171 HE21 GLN 17 1HE2 GLN 17 2.070 -11.926 -14.583
172 HE22 GLN 17 2HE2 GLN 17 0.975 -13.259 -14.680
173 H ARG 18 H ARG 18 -0.031 -7.165 -18.492
174 HA ARG 18 HA ARG 18 2.128 -8.101 -20.175
175 HB2 ARG 18 2HB ARG 18 -0.280 -6.489 -21.016
176 HB3 ARG 18 3HB ARG 18 0.734 -7.510 -22.025
177 HG2 ARG 18 2HG ARG 18 -0.977 -8.537 -19.773
178 HG3 ARG 18 3HG ARG 18 -1.480 -8.488 -21.464
179 HD2 ARG 18 2HD ARG 18 0.907 -9.734 -21.690
180 HD3 ARG 18 3HD ARG 18 0.406 -10.289 -20.094
181 HE ARG 18 HE ARG 18 -1.681 -10.553 -22.019
182 HH11 ARG 18 1HH1 ARG 18 1.252 -12.018 -20.847
183 HH12 ARG 18 2HH1 ARG 18 0.813 -13.614 -21.359
184 HH21 ARG 18 1HH2 ARG 18 -2.269 -12.650 -22.697
185 HH22 ARG 18 2HH2 ARG 18 -1.189 -13.972 -22.412
186 H GLN 19 H GLN 19 1.097 -5.141 -18.719
187 HA GLN 19 HA GLN 19 2.592 -3.428 -20.485
188 HB2 GLN 19 2HB GLN 19 0.512 -3.015 -18.757
189 HB3 GLN 19 3HB GLN 19 1.866 -2.366 -17.843
190 HG2 GLN 19 2HG GLN 19 2.430 -1.076 -19.991
191 HG3 GLN 19 3HG GLN 19 0.787 -1.479 -20.487
192 HE21 GLN 19 1HE2 GLN 19 -0.507 0.176 -20.188
193 HE22 GLN 19 2HE2 GLN 19 -0.502 1.247 -18.834
194 H ALA 20 H ALA 20 2.906 -4.303 -17.041
195 HA ALA 20 HA ALA 20 5.400 -3.097 -16.634
196 HB1 ALA 20 1HB ALA 20 4.984 -3.714 -14.546
197 HB2 ALA 20 2HB ALA 20 3.585 -4.626 -15.116
198 HB3 ALA 20 3HB ALA 20 5.157 -5.415 -14.982
Start of MODEL 7
1 H1 ARG 1 H ARG 1 4.858 -0.750 -1.974
2 HA ARG 1 HA ARG 1 2.374 -0.849 -0.496
3 HB2 ARG 1 2HB ARG 1 3.548 1.312 -2.256
4 HB3 ARG 1 3HB ARG 1 2.102 1.485 -1.270
5 HG2 ARG 1 2HG ARG 1 3.928 0.629 0.564
6 HG3 ARG 1 3HG ARG 1 4.919 1.613 -0.516
7 HD2 ARG 1 2HD ARG 1 2.415 2.457 0.934
8 HD3 ARG 1 3HD ARG 1 4.061 3.005 1.249
9 HE ARG 1 HE ARG 1 3.359 3.565 -1.425
10 HH11 ARG 1 1HH1 ARG 1 2.696 4.600 1.832
11 HH12 ARG 1 2HH1 ARG 1 2.314 6.227 1.376
12 HH21 ARG 1 1HH2 ARG 1 2.858 5.704 -2.038
13 HH22 ARG 1 2HH2 ARG 1 2.405 6.854 -0.826
14 H TRP 2 H TRP 2 3.346 -0.497 -3.897
15 HA TRP 2 HA TRP 2 0.667 -0.540 -4.881
16 HB2 TRP 2 2HB TRP 2 2.360 0.549 -6.199
17 HB3 TRP 2 3HB TRP 2 3.334 -0.918 -6.253
18 HD1 TRP 2 HD1 TRP 2 2.357 -2.955 -7.803
19 HE1 TRP 2 HE1 TRP 2 0.902 -2.868 -9.924
20 HE3 TRP 2 HE3 TRP 2 0.545 1.803 -7.348
21 HZ2 TRP 2 HZ2 TRP 2 -0.789 -1.025 -11.232
22 HZ3 TRP 2 HZ3 TRP 2 -0.985 2.653 -9.078
23 HH2 TRP 2 HH2 TRP 2 -1.637 1.266 -10.979
24 H LYS 3 H LYS 3 3.017 -2.956 -4.082
25 HA LYS 3 HA LYS 3 2.091 -5.093 -5.641
26 HB2 LYS 3 2HB LYS 3 3.327 -6.515 -4.189
27 HB3 LYS 3 3HB LYS 3 4.224 -5.006 -4.294
28 HG2 LYS 3 2HG LYS 3 3.338 -4.310 -2.138
29 HG3 LYS 3 3HG LYS 3 2.395 -5.799 -2.036
30 HD2 LYS 3 2HD LYS 3 5.386 -5.810 -2.346
31 HD3 LYS 3 3HD LYS 3 4.603 -5.737 -0.766
32 HE2 LYS 3 2HE LYS 3 3.314 -7.810 -1.493
33 HE3 LYS 3 3HE LYS 3 4.468 -7.927 -2.821
34 HZ1 LYS 3 1HZ LYS 3 6.205 -8.362 -1.385
35 HZ2 LYS 3 2HZ LYS 3 4.931 -9.203 -0.657
36 HZ3 LYS 3 3HZ LYS 3 5.417 -7.705 -0.040
37 H ARG 4 H ARG 4 1.002 -3.817 -2.551
38 HA ARG 4 HA ARG 4 -0.819 -5.974 -2.040
39 HB2 ARG 4 2HB ARG 4 0.024 -4.813 -0.138
40 HB3 ARG 4 3HB ARG 4 -0.445 -3.252 -0.799
41 HG2 ARG 4 2HG ARG 4 -2.540 -3.417 -0.031
42 HG3 ARG 4 3HG ARG 4 -2.664 -5.128 -0.449
43 HD2 ARG 4 2HD ARG 4 -1.041 -5.464 1.551
44 HD3 ARG 4 3HD ARG 4 -1.578 -3.855 2.031
45 HE ARG 4 HE ARG 4 -3.756 -5.620 1.463
46 HH11 ARG 4 1HH1 ARG 4 -1.442 -4.677 3.886
47 HH12 ARG 4 2HH1 ARG 4 -2.427 -5.192 5.215
48 HH21 ARG 4 1HH2 ARG 4 -5.063 -6.302 3.203
49 HH22 ARG 4 2HH2 ARG 4 -4.487 -6.117 4.825
50 H HIS 5 H HIS 5 -0.937 -2.944 -3.726
51 HA HIS 5 HA HIS 5 -3.835 -2.906 -3.849
52 HB2 HIS 5 2HB HIS 5 -1.866 -0.954 -4.039
53 HB3 HIS 5 3HB HIS 5 -2.464 -1.110 -5.688
54 HD1 HIS 5 HD1 HIS 5 -3.748 -0.408 -2.194
55 HD2 HIS 5 HD2 HIS 5 -4.842 0.143 -6.165
56 HE1 HIS 5 HE1 HIS 5 -5.805 1.039 -2.131
57 H ILE 6 H ILE 6 -1.243 -4.240 -5.614
58 HA ILE 6 HA ILE 6 -2.910 -4.565 -8.012
59 HB ILE 6 HB ILE 6 -0.660 -3.620 -8.376
60 HG12 ILE 6 2HG1 ILE 6 -0.101 -4.978 -10.258
61 HG13 ILE 6 3HG1 ILE 6 -0.798 -6.413 -9.515
62 HG21 ILE 6 1HG2 ILE 6 1.298 -4.641 -7.765
63 HG22 ILE 6 2HG2 ILE 6 0.253 -5.136 -6.435
64 HG23 ILE 6 3HG2 ILE 6 0.584 -6.254 -7.758
65 HD11 ILE 6 1HD1 ILE 6 -2.038 -4.967 -11.387
66 HD12 ILE 6 2HD1 ILE 6 -2.893 -5.880 -10.143
67 HD13 ILE 6 3HD1 ILE 6 -2.632 -4.147 -9.943
68 H SER 7 H SER 7 -1.191 -6.309 -5.506
69 HA SER 7 HA SER 7 -1.154 -8.876 -6.474
70 HB2 SER 7 2HB SER 7 -1.433 -7.710 -3.743
71 HB3 SER 7 3HB SER 7 -1.720 -9.440 -3.933
72 HG SER 7 HG SER 7 0.337 -9.746 -4.457
73 H GLU 8 H GLU 8 -3.862 -7.212 -4.897
74 HA GLU 8 HA GLU 8 -5.619 -9.471 -5.182
75 HB2 GLU 8 2HB GLU 8 -6.027 -8.073 -3.306
76 HB3 GLU 8 3HB GLU 8 -6.032 -6.621 -4.297
77 HG2 GLU 8 2HG GLU 8 -8.199 -6.811 -4.744
78 HG3 GLU 8 3HG GLU 8 -8.053 -8.524 -5.131
79 H GLN 9 H GLN 9 -4.878 -6.582 -6.983
80 HA GLN 9 HA GLN 9 -7.191 -6.630 -8.648
81 HB2 GLN 9 2HB GLN 9 -5.880 -4.585 -8.309
82 HB3 GLN 9 3HB GLN 9 -4.497 -5.333 -9.096
83 HG2 GLN 9 2HG GLN 9 -6.386 -5.631 -11.007
84 HG3 GLN 9 3HG GLN 9 -6.907 -4.125 -10.251
85 HE21 GLN 9 1HE2 GLN 9 -5.033 -2.567 -9.838
86 HE22 GLN 9 2HE2 GLN 9 -3.923 -2.362 -11.145
87 H LEU 10 H LEU 10 -3.778 -7.405 -9.353
88 HA LEU 10 HA LEU 10 -4.100 -8.441 -11.884
89 HB2 LEU 10 2HB LEU 10 -2.043 -9.691 -11.501
90 HB3 LEU 10 3HB LEU 10 -1.927 -8.045 -10.883
91 HG LEU 10 HG LEU 10 -2.645 -9.298 -8.628
92 HD11 LEU 10 1HD1 LEU 10 -2.337 -11.496 -8.596
93 HD12 LEU 10 2HD1 LEU 10 -0.758 -11.352 -9.368
94 HD13 LEU 10 3HD1 LEU 10 -2.217 -11.436 -10.355
95 HD21 LEU 10 1HD2 LEU 10 -0.049 -8.635 -9.881
96 HD22 LEU 10 2HD2 LEU 10 -0.001 -9.642 -8.434
97 HD23 LEU 10 3HD2 LEU 10 -0.768 -8.054 -8.379
98 H ARG 11 H ARG 11 -4.883 -9.891 -8.818
99 HA ARG 11 HA ARG 11 -5.026 -12.581 -9.560
100 HB2 ARG 11 2HB ARG 11 -6.427 -10.941 -7.472
101 HB3 ARG 11 3HB ARG 11 -6.849 -12.631 -7.709
102 HG2 ARG 11 2HG ARG 11 -3.975 -12.090 -7.451
103 HG3 ARG 11 3HG ARG 11 -4.942 -11.754 -6.014
104 HD2 ARG 11 2HD ARG 11 -4.587 -13.948 -5.611
105 HD3 ARG 11 3HD ARG 11 -5.961 -14.141 -6.700
106 HE ARG 11 HE ARG 11 -3.577 -14.084 -8.195
107 HH11 ARG 11 1HH1 ARG 11 -5.323 -16.118 -5.973
108 HH12 ARG 11 2HH1 ARG 11 -4.673 -17.593 -6.609
109 HH21 ARG 11 1HH2 ARG 11 -2.716 -16.019 -9.041
110 HH22 ARG 11 2HH2 ARG 11 -3.190 -17.536 -8.353
111 H ARG 12 H ARG 12 -7.695 -10.218 -9.373
112 HA ARG 12 HA ARG 12 -9.482 -11.964 -10.792
113 HB2 ARG 12 2HB ARG 12 -10.045 -10.163 -9.004
114 HB3 ARG 12 3HB ARG 12 -9.976 -9.036 -10.352
115 HG2 ARG 12 2HG ARG 12 -11.710 -10.324 -11.509
116 HG3 ARG 12 3HG ARG 12 -11.791 -11.428 -10.134
117 HD2 ARG 12 2HD ARG 12 -12.599 -9.712 -8.700
118 HD3 ARG 12 3HD ARG 12 -12.252 -8.463 -9.896
119 HE ARG 12 HE ARG 12 -14.042 -10.190 -11.089
120 HH11 ARG 12 1HH1 ARG 12 -13.977 -8.135 -8.280
121 HH12 ARG 12 2HH1 ARG 12 -15.683 -7.831 -8.302
122 HH21 ARG 12 1HH2 ARG 12 -16.288 -9.798 -11.129
123 HH22 ARG 12 2HH2 ARG 12 -16.996 -8.778 -9.922
124 H ARG 13 H ARG 13 -7.778 -8.939 -11.530
125 HA ARG 13 HA ARG 13 -8.277 -9.463 -14.387
126 HB2 ARG 13 2HB ARG 13 -8.804 -7.094 -12.799
127 HB3 ARG 13 3HB ARG 13 -7.724 -6.736 -14.141
128 HG2 ARG 13 2HG ARG 13 -9.528 -6.564 -15.415
129 HG3 ARG 13 3HG ARG 13 -9.716 -8.311 -15.259
130 HD2 ARG 13 2HD ARG 13 -11.347 -8.130 -13.655
131 HD3 ARG 13 3HD ARG 13 -10.768 -6.562 -13.093
132 HE ARG 13 HE ARG 13 -12.701 -7.050 -15.145
133 HH11 ARG 13 1HH1 ARG 13 -10.260 -4.835 -14.026
134 HH12 ARG 13 2HH1 ARG 13 -10.965 -3.459 -14.808
135 HH21 ARG 13 1HH2 ARG 13 -13.639 -5.247 -16.180
136 HH22 ARG 13 2HH2 ARG 13 -12.887 -3.694 -16.032
137 H ASP 14 H ASP 14 -6.296 -10.633 -14.472
138 HA ASP 14 HA ASP 14 -3.815 -9.393 -13.759
139 HB2 ASP 14 2HB ASP 14 -2.856 -11.360 -15.093
140 HB3 ASP 14 3HB ASP 14 -3.805 -11.748 -13.661
141 H ARG 15 H ARG 15 -4.712 -7.443 -15.138
142 HA ARG 15 HA ARG 15 -4.283 -7.628 -17.968
143 HB2 ARG 15 2HB ARG 15 -5.893 -6.041 -16.909
144 HB3 ARG 15 3HB ARG 15 -4.526 -5.151 -16.254
145 HG2 ARG 15 2HG ARG 15 -3.761 -4.615 -18.483
146 HG3 ARG 15 3HG ARG 15 -5.055 -5.588 -19.185
147 HD2 ARG 15 2HD ARG 15 -5.415 -3.125 -17.481
148 HD3 ARG 15 3HD ARG 15 -5.598 -3.204 -19.233
149 HE ARG 15 HE ARG 15 -7.338 -5.075 -18.341
150 HH11 ARG 15 1HH1 ARG 15 -6.823 -1.718 -17.574
151 HH12 ARG 15 2HH1 ARG 15 -8.484 -1.418 -17.182
152 HH21 ARG 15 1HH2 ARG 15 -9.527 -4.692 -17.828
153 HH22 ARG 15 2HH2 ARG 15 -10.021 -3.111 -17.326
154 H LEU 16 H LEU 16 -2.625 -5.775 -15.406
155 HA LEU 16 HA LEU 16 -0.420 -5.064 -17.019
156 HB2 LEU 16 2HB LEU 16 0.250 -3.882 -15.240
157 HB3 LEU 16 3HB LEU 16 -1.341 -4.287 -14.599
158 HG LEU 16 HG LEU 16 1.195 -5.809 -14.000
159 HD11 LEU 16 1HD1 LEU 16 1.166 -4.748 -11.844
160 HD12 LEU 16 2HD1 LEU 16 -0.312 -3.875 -12.247
161 HD13 LEU 16 3HD1 LEU 16 1.190 -3.503 -13.093
162 HD21 LEU 16 1HD2 LEU 16 -0.695 -6.290 -12.038
163 HD22 LEU 16 2HD2 LEU 16 -0.228 -7.389 -13.336
164 HD23 LEU 16 3HD2 LEU 16 -1.621 -6.326 -13.539
165 H GLN 17 H GLN 17 -1.263 -7.990 -15.526
166 HA GLN 17 HA GLN 17 1.197 -9.080 -14.813
167 HB2 GLN 17 2HB GLN 17 -1.379 -9.976 -14.833
168 HB3 GLN 17 3HB GLN 17 -0.671 -10.944 -16.119
169 HG2 GLN 17 2HG GLN 17 1.209 -11.182 -14.176
170 HG3 GLN 17 3HG GLN 17 -0.270 -11.068 -13.223
171 HE21 GLN 17 1HE2 GLN 17 1.768 -13.136 -14.789
172 HE22 GLN 17 2HE2 GLN 17 0.711 -14.489 -14.975
173 H ARG 18 H ARG 18 -0.342 -8.789 -17.960
174 HA ARG 18 HA ARG 18 1.681 -10.366 -19.287
175 HB2 ARG 18 2HB ARG 18 -0.655 -10.341 -20.086
176 HB3 ARG 18 3HB ARG 18 -0.501 -8.627 -20.450
177 HG2 ARG 18 2HG ARG 18 1.251 -9.142 -22.086
178 HG3 ARG 18 3HG ARG 18 1.057 -10.860 -21.734
179 HD2 ARG 18 2HD ARG 18 -1.049 -10.951 -22.709
180 HD3 ARG 18 3HD ARG 18 -1.294 -9.211 -22.571
181 HE ARG 18 HE ARG 18 0.017 -10.612 -24.709
182 HH11 ARG 18 1HH1 ARG 18 -0.262 -7.578 -23.024
183 HH12 ARG 18 2HH1 ARG 18 0.286 -6.632 -24.368
184 HH21 ARG 18 1HH2 ARG 18 0.740 -9.378 -26.485
185 HH22 ARG 18 2HH2 ARG 18 0.855 -7.657 -26.337
186 H GLN 19 H GLN 19 0.976 -6.982 -18.729
187 HA GLN 19 HA GLN 19 2.752 -5.898 -20.638
188 HB2 GLN 19 2HB GLN 19 0.868 -4.819 -19.083
189 HB3 GLN 19 3HB GLN 19 2.269 -4.438 -18.092
190 HG2 GLN 19 2HG GLN 19 3.296 -3.396 -20.135
191 HG3 GLN 19 3HG GLN 19 1.729 -3.586 -20.921
192 HE21 GLN 19 1HE2 GLN 19 -0.046 -2.399 -20.140
193 HE22 GLN 19 2HE2 GLN 19 0.175 -0.967 -19.199
194 H ALA 20 H ALA 20 3.136 -6.520 -17.155
195 HA ALA 20 HA ALA 20 6.046 -6.585 -17.581
196 HB1 ALA 20 1HB ALA 20 4.750 -5.392 -15.139
197 HB2 ALA 20 2HB ALA 20 6.461 -5.383 -15.566
198 HB3 ALA 20 3HB ALA 20 5.310 -4.442 -16.515
Start of MODEL 8
1 H1 ARG 1 H ARG 1 1.668 0.201 0.409
2 HA ARG 1 HA ARG 1 2.995 1.047 -1.842
3 HB2 ARG 1 2HB ARG 1 2.804 -1.813 -0.880
4 HB3 ARG 1 3HB ARG 1 4.076 -1.138 -1.889
5 HG2 ARG 1 2HG ARG 1 5.203 -0.420 -0.120
6 HG3 ARG 1 3HG ARG 1 3.775 0.376 0.546
7 HD2 ARG 1 2HD ARG 1 3.900 -2.580 0.732
8 HD3 ARG 1 3HD ARG 1 4.993 -1.660 1.764
9 HE ARG 1 HE ARG 1 2.183 -1.956 2.092
10 HH11 ARG 1 1HH1 ARG 1 4.820 0.271 2.544
11 HH12 ARG 1 2HH1 ARG 1 4.050 1.122 3.842
12 HH21 ARG 1 1HH2 ARG 1 1.159 -0.843 3.800
13 HH22 ARG 1 2HH2 ARG 1 1.968 0.488 4.556
14 H TRP 2 H TRP 2 3.342 -0.553 -3.812
15 HA TRP 2 HA TRP 2 0.810 -0.573 -5.209
16 HB2 TRP 2 2HB TRP 2 2.812 0.262 -6.345
17 HB3 TRP 2 3HB TRP 2 3.591 -1.306 -6.149
18 HD1 TRP 2 HD1 TRP 2 2.971 -3.202 -7.862
19 HE1 TRP 2 HE1 TRP 2 1.606 -3.234 -10.044
20 HE3 TRP 2 HE3 TRP 2 0.702 1.361 -7.466
21 HZ2 TRP 2 HZ2 TRP 2 -0.194 -1.547 -11.416
22 HZ3 TRP 2 HZ3 TRP 2 -0.827 2.077 -9.256
23 HH2 TRP 2 HH2 TRP 2 -1.264 0.652 -11.189
24 H LYS 3 H LYS 3 2.754 -2.805 -3.508
25 HA LYS 3 HA LYS 3 2.176 -5.197 -4.848
26 HB2 LYS 3 2HB LYS 3 2.914 -6.320 -2.892
27 HB3 LYS 3 3HB LYS 3 3.865 -4.844 -2.997
28 HG2 LYS 3 2HG LYS 3 2.443 -3.790 -1.328
29 HG3 LYS 3 3HG LYS 3 1.452 -5.248 -1.239
30 HD2 LYS 3 2HD LYS 3 4.410 -5.237 -0.671
31 HD3 LYS 3 3HD LYS 3 3.191 -4.974 0.578
32 HE2 LYS 3 2HE LYS 3 2.675 -7.314 -1.093
33 HE3 LYS 3 3HE LYS 3 4.190 -7.408 -0.197
34 HZ1 LYS 3 1HZ LYS 3 1.591 -6.739 1.063
35 HZ2 LYS 3 2HZ LYS 3 3.045 -7.113 1.841
36 HZ3 LYS 3 3HZ LYS 3 2.211 -8.312 0.988
37 H ARG 4 H ARG 4 0.363 -3.371 -2.451
38 HA ARG 4 HA ARG 4 -1.636 -5.395 -2.083
39 HB2 ARG 4 2HB ARG 4 -1.278 -3.900 -0.263
40 HB3 ARG 4 3HB ARG 4 -1.473 -2.490 -1.295
41 HG2 ARG 4 2HG ARG 4 -3.706 -2.517 -1.124
42 HG3 ARG 4 3HG ARG 4 -3.794 -4.276 -1.226
43 HD2 ARG 4 2HD ARG 4 -2.931 -2.735 1.218
44 HD3 ARG 4 3HD ARG 4 -4.556 -3.365 0.953
45 HE ARG 4 HE ARG 4 -2.659 -5.439 0.691
46 HH11 ARG 4 1HH1 ARG 4 -4.179 -3.424 3.088
47 HH12 ARG 4 2HH1 ARG 4 -4.016 -4.589 4.360
48 HH21 ARG 4 1HH2 ARG 4 -2.438 -6.981 2.357
49 HH22 ARG 4 2HH2 ARG 4 -3.025 -6.612 3.943
50 H HIS 5 H HIS 5 -1.156 -2.706 -4.231
51 HA HIS 5 HA HIS 5 -3.904 -2.710 -5.156
52 HB2 HIS 5 2HB HIS 5 -1.723 -0.884 -5.249
53 HB3 HIS 5 3HB HIS 5 -2.195 -1.240 -6.907
54 HD1 HIS 5 HD1 HIS 5 -4.081 -0.425 -3.692
55 HD2 HIS 5 HD2 HIS 5 -4.060 0.514 -7.740
56 HE1 HIS 5 HE1 HIS 5 -5.938 1.242 -4.006
57 H ILE 6 H ILE 6 -0.962 -4.281 -5.909
58 HA ILE 6 HA ILE 6 -1.908 -5.025 -8.585
59 HB ILE 6 HB ILE 6 0.424 -4.205 -8.368
60 HG12 ILE 6 2HG1 ILE 6 -0.277 -6.904 -9.411
61 HG13 ILE 6 3HG1 ILE 6 0.245 -5.466 -10.280
62 HG21 ILE 6 1HG2 ILE 6 1.143 -6.781 -7.033
63 HG22 ILE 6 2HG2 ILE 6 2.059 -5.279 -7.132
64 HG23 ILE 6 3HG2 ILE 6 0.654 -5.386 -6.072
65 HD11 ILE 6 1HD1 ILE 6 2.534 -5.857 -9.326
66 HD12 ILE 6 2HD1 ILE 6 1.941 -7.418 -8.758
67 HD13 ILE 6 3HD1 ILE 6 1.970 -7.061 -10.484
68 H SER 7 H SER 7 -1.048 -6.364 -5.450
69 HA SER 7 HA SER 7 -0.984 -9.062 -5.982
70 HB2 SER 7 2HB SER 7 -1.838 -7.459 -3.605
71 HB3 SER 7 3HB SER 7 -2.130 -9.198 -3.603
72 HG SER 7 HG SER 7 0.131 -9.454 -4.051
73 H GLU 8 H GLU 8 -3.822 -7.010 -5.463
74 HA GLU 8 HA GLU 8 -5.661 -9.206 -5.771
75 HB2 GLU 8 2HB GLU 8 -6.372 -7.459 -4.325
76 HB3 GLU 8 3HB GLU 8 -6.017 -6.224 -5.525
77 HG2 GLU 8 2HG GLU 8 -8.010 -6.430 -6.496
78 HG3 GLU 8 3HG GLU 8 -7.955 -8.191 -6.446
79 H GLN 9 H GLN 9 -4.214 -6.787 -7.804
80 HA GLN 9 HA GLN 9 -6.072 -7.071 -9.967
81 HB2 GLN 9 2HB GLN 9 -4.213 -5.195 -9.319
82 HB3 GLN 9 3HB GLN 9 -3.363 -6.081 -10.578
83 HG2 GLN 9 2HG GLN 9 -4.574 -5.137 -12.173
84 HG3 GLN 9 3HG GLN 9 -6.084 -5.530 -11.352
85 HE21 GLN 9 1HE2 GLN 9 -3.341 -3.406 -10.600
86 HE22 GLN 9 2HE2 GLN 9 -4.291 -1.985 -10.349
87 H LEU 10 H LEU 10 -2.630 -7.963 -9.653
88 HA LEU 10 HA LEU 10 -2.392 -9.451 -11.963
89 HB2 LEU 10 2HB LEU 10 -0.502 -10.548 -10.924
90 HB3 LEU 10 3HB LEU 10 -0.509 -8.828 -10.537
91 HG LEU 10 HG LEU 10 -1.762 -9.774 -8.361
92 HD11 LEU 10 1HD1 LEU 10 0.249 -11.853 -8.361
93 HD12 LEU 10 2HD1 LEU 10 -0.967 -12.116 -9.610
94 HD13 LEU 10 3HD1 LEU 10 -1.459 -11.932 -7.926
95 HD21 LEU 10 1HD2 LEU 10 0.589 -9.860 -7.338
96 HD22 LEU 10 2HD2 LEU 10 0.071 -8.355 -8.098
97 HD23 LEU 10 3HD2 LEU 10 1.159 -9.448 -8.955
98 H ARG 11 H ARG 11 -4.065 -10.233 -9.056
99 HA ARG 11 HA ARG 11 -4.102 -13.069 -9.421
100 HB2 ARG 11 2HB ARG 11 -4.529 -11.651 -7.267
101 HB3 ARG 11 3HB ARG 11 -6.184 -11.584 -7.858
102 HG2 ARG 11 2HG ARG 11 -6.110 -14.108 -7.968
103 HG3 ARG 11 3HG ARG 11 -4.597 -14.006 -7.066
104 HD2 ARG 11 2HD ARG 11 -7.032 -12.592 -6.063
105 HD3 ARG 11 3HD ARG 11 -6.854 -14.327 -5.801
106 HE ARG 11 HE ARG 11 -4.506 -12.968 -5.006
107 HH11 ARG 11 1HH1 ARG 11 -7.801 -13.534 -4.034
108 HH12 ARG 11 2HH1 ARG 11 -7.474 -13.332 -2.344
109 HH21 ARG 11 1HH2 ARG 11 -4.064 -12.700 -2.784
110 HH22 ARG 11 2HH2 ARG 11 -5.348 -12.857 -1.635
111 H ARG 12 H ARG 12 -6.424 -10.454 -10.045
112 HA ARG 12 HA ARG 12 -7.972 -12.332 -11.703
113 HB2 ARG 12 2HB ARG 12 -8.782 -10.494 -9.670
114 HB3 ARG 12 3HB ARG 12 -9.465 -9.968 -11.202
115 HG2 ARG 12 2HG ARG 12 -10.742 -11.866 -11.443
116 HG3 ARG 12 3HG ARG 12 -9.695 -12.829 -10.399
117 HD2 ARG 12 2HD ARG 12 -10.530 -11.770 -8.444
118 HD3 ARG 12 3HD ARG 12 -11.359 -10.534 -9.390
119 HE ARG 12 HE ARG 12 -12.258 -13.206 -9.944
120 HH11 ARG 12 1HH1 ARG 12 -12.630 -10.433 -7.872
121 HH12 ARG 12 2HH1 ARG 12 -14.253 -10.830 -7.414
122 HH21 ARG 12 1HH2 ARG 12 -14.394 -13.739 -9.348
123 HH22 ARG 12 2HH2 ARG 12 -15.255 -12.711 -8.253
124 H ARG 13 H ARG 13 -7.660 -8.786 -11.531
125 HA ARG 13 HA ARG 13 -7.685 -8.655 -14.434
126 HB2 ARG 13 2HB ARG 13 -8.898 -7.081 -12.698
127 HB3 ARG 13 3HB ARG 13 -7.351 -6.244 -12.701
128 HG2 ARG 13 2HG ARG 13 -7.963 -5.166 -14.530
129 HG3 ARG 13 3HG ARG 13 -8.043 -6.702 -15.395
130 HD2 ARG 13 2HD ARG 13 -10.295 -5.619 -13.714
131 HD3 ARG 13 3HD ARG 13 -10.143 -5.316 -15.444
132 HE ARG 13 HE ARG 13 -11.083 -7.700 -14.205
133 HH11 ARG 13 1HH1 ARG 13 -9.339 -6.493 -16.966
134 HH12 ARG 13 2HH1 ARG 13 -9.756 -7.834 -17.980
135 HH21 ARG 13 1HH2 ARG 13 -11.638 -9.472 -15.530
136 HH22 ARG 13 2HH2 ARG 13 -11.064 -9.528 -17.163
137 H ASP 14 H ASP 14 -5.522 -9.863 -14.288
138 HA ASP 14 HA ASP 14 -3.214 -8.342 -13.534
139 HB2 ASP 14 2HB ASP 14 -1.993 -10.212 -14.765
140 HB3 ASP 14 3HB ASP 14 -2.977 -10.692 -13.385
141 H ARG 15 H ARG 15 -4.298 -6.539 -14.989
142 HA ARG 15 HA ARG 15 -3.908 -6.681 -17.791
143 HB2 ARG 15 2HB ARG 15 -5.453 -5.087 -16.703
144 HB3 ARG 15 3HB ARG 15 -4.073 -4.236 -16.021
145 HG2 ARG 15 2HG ARG 15 -3.384 -3.441 -18.110
146 HG3 ARG 15 3HG ARG 15 -4.386 -4.605 -18.979
147 HD2 ARG 15 2HD ARG 15 -5.591 -2.522 -17.187
148 HD3 ARG 15 3HD ARG 15 -5.183 -2.168 -18.865
149 HE ARG 15 HE ARG 15 -7.368 -3.782 -17.910
150 HH11 ARG 15 1HH1 ARG 15 -5.270 -3.077 -20.597
151 HH12 ARG 15 2HH1 ARG 15 -6.377 -3.677 -21.788
152 HH21 ARG 15 1HH2 ARG 15 -8.834 -4.575 -19.467
153 HH22 ARG 15 2HH2 ARG 15 -8.404 -4.528 -21.144
154 H LEU 16 H LEU 16 -1.921 -5.496 -15.127
155 HA LEU 16 HA LEU 16 0.070 -4.175 -16.503
156 HB2 LEU 16 2HB LEU 16 0.499 -5.983 -14.133
157 HB3 LEU 16 3HB LEU 16 1.519 -4.636 -14.635
158 HG LEU 16 HG LEU 16 -1.244 -4.501 -13.440
159 HD11 LEU 16 1HD1 LEU 16 -0.262 -3.741 -11.536
160 HD12 LEU 16 2HD1 LEU 16 1.112 -3.038 -12.388
161 HD13 LEU 16 3HD1 LEU 16 1.038 -4.780 -12.120
162 HD21 LEU 16 1HD2 LEU 16 0.144 -2.631 -15.179
163 HD22 LEU 16 2HD2 LEU 16 -0.270 -1.926 -13.616
164 HD23 LEU 16 3HD2 LEU 16 -1.531 -2.635 -14.627
165 H GLN 17 H GLN 17 0.076 -7.623 -15.585
166 HA GLN 17 HA GLN 17 2.430 -8.368 -16.826
167 HB2 GLN 17 2HB GLN 17 -0.041 -9.770 -15.995
168 HB3 GLN 17 3HB GLN 17 0.968 -10.611 -17.164
169 HG2 GLN 17 2HG GLN 17 2.187 -11.339 -15.472
170 HG3 GLN 17 3HG GLN 17 2.738 -9.682 -15.230
171 HE21 GLN 17 1HE2 GLN 17 1.421 -12.267 -13.729
172 HE22 GLN 17 2HE2 GLN 17 0.634 -11.478 -12.409
173 H ARG 18 H ARG 18 -0.695 -7.722 -18.220
174 HA ARG 18 HA ARG 18 -0.043 -8.889 -20.777
175 HB2 ARG 18 2HB ARG 18 -2.356 -8.898 -20.027
176 HB3 ARG 18 3HB ARG 18 -2.350 -7.144 -19.902
177 HG2 ARG 18 2HG ARG 18 -2.095 -6.942 -22.301
178 HG3 ARG 18 3HG ARG 18 -2.001 -8.697 -22.457
179 HD2 ARG 18 2HD ARG 18 -4.369 -7.469 -21.121
180 HD3 ARG 18 3HD ARG 18 -4.258 -7.437 -22.880
181 HE ARG 18 HE ARG 18 -3.807 -10.040 -21.765
182 HH11 ARG 18 1HH1 ARG 18 -6.232 -7.770 -22.807
183 HH12 ARG 18 2HH1 ARG 18 -7.423 -8.988 -23.124
184 HH21 ARG 18 1HH2 ARG 18 -5.366 -11.653 -22.179
185 HH22 ARG 18 2HH2 ARG 18 -6.930 -11.196 -22.765
186 H GLN 19 H GLN 19 0.008 -5.722 -19.289
187 HA GLN 19 HA GLN 19 0.460 -4.311 -21.751
188 HB2 GLN 19 2HB GLN 19 -0.416 -3.555 -19.286
189 HB3 GLN 19 3HB GLN 19 1.254 -3.006 -19.232
190 HG2 GLN 19 2HG GLN 19 0.954 -1.495 -20.949
191 HG3 GLN 19 3HG GLN 19 -0.456 -2.340 -21.584
192 HE21 GLN 19 1HE2 GLN 19 0.500 -0.931 -18.466
193 HE22 GLN 19 2HE2 GLN 19 -0.956 -0.031 -18.234
194 H ALA 20 H ALA 20 2.497 -4.696 -18.845
195 HA ALA 20 HA ALA 20 4.802 -5.359 -20.436
196 HB1 ALA 20 1HB ALA 20 5.853 -3.222 -19.028
197 HB2 ALA 20 2HB ALA 20 5.523 -3.278 -20.760
198 HB3 ALA 20 3HB ALA 20 4.322 -2.610 -19.654
Start of MODEL 9
1 H1 ARG 1 H ARG 1 0.867 0.201 0.473
2 HA ARG 1 HA ARG 1 1.989 0.925 -1.721
3 HB2 ARG 1 2HB ARG 1 2.404 -1.368 -0.081
4 HB3 ARG 1 3HB ARG 1 2.661 -1.845 -1.754
5 HG2 ARG 1 2HG ARG 1 4.552 -0.651 -1.942
6 HG3 ARG 1 3HG ARG 1 3.927 0.686 -0.975
7 HD2 ARG 1 2HD ARG 1 4.306 -0.603 1.063
8 HD3 ARG 1 3HD ARG 1 4.904 -1.956 0.104
9 HE ARG 1 HE ARG 1 6.363 0.431 -0.421
10 HH11 ARG 1 1HH1 ARG 1 5.998 -2.168 1.866
11 HH12 ARG 1 2HH1 ARG 1 7.625 -2.055 2.451
12 HH21 ARG 1 1HH2 ARG 1 8.507 0.589 0.341
13 HH22 ARG 1 2HH2 ARG 1 9.051 -0.486 1.584
14 H TRP 2 H TRP 2 2.663 -0.747 -3.676
15 HA TRP 2 HA TRP 2 0.290 -0.811 -5.304
16 HB2 TRP 2 2HB TRP 2 2.425 -0.079 -6.256
17 HB3 TRP 2 3HB TRP 2 3.129 -1.659 -5.921
18 HD1 TRP 2 HD1 TRP 2 2.665 -3.588 -7.636
19 HE1 TRP 2 HE1 TRP 2 1.518 -3.677 -9.938
20 HE3 TRP 2 HE3 TRP 2 0.428 1.009 -7.605
21 HZ2 TRP 2 HZ2 TRP 2 -0.118 -2.017 -11.531
22 HZ3 TRP 2 HZ3 TRP 2 -0.910 1.682 -9.558
23 HH2 TRP 2 HH2 TRP 2 -1.176 0.199 -11.479
24 H LYS 3 H LYS 3 1.968 -3.027 -3.325
25 HA LYS 3 HA LYS 3 1.448 -5.453 -4.635
26 HB2 LYS 3 2HB LYS 3 1.965 -6.521 -2.583
27 HB3 LYS 3 3HB LYS 3 2.959 -5.071 -2.636
28 HG2 LYS 3 2HG LYS 3 1.411 -3.933 -1.147
29 HG3 LYS 3 3HG LYS 3 0.371 -5.358 -1.122
30 HD2 LYS 3 2HD LYS 3 3.130 -5.979 -0.447
31 HD3 LYS 3 3HD LYS 3 2.418 -4.792 0.648
32 HE2 LYS 3 2HE LYS 3 1.673 -6.639 1.712
33 HE3 LYS 3 3HE LYS 3 0.395 -6.555 0.501
34 HZ1 LYS 3 1HZ LYS 3 1.825 -8.051 -0.888
35 HZ2 LYS 3 2HZ LYS 3 1.183 -8.761 0.506
36 HZ3 LYS 3 3HZ LYS 3 2.804 -8.278 0.473
37 H ARG 4 H ARG 4 -0.526 -3.478 -2.497
38 HA ARG 4 HA ARG 4 -2.617 -5.423 -2.244
39 HB2 ARG 4 2HB ARG 4 -2.390 -3.855 -0.465
40 HB3 ARG 4 3HB ARG 4 -2.437 -2.490 -1.572
41 HG2 ARG 4 2HG ARG 4 -4.676 -2.447 -1.625
42 HG3 ARG 4 3HG ARG 4 -4.810 -4.206 -1.652
43 HD2 ARG 4 2HD ARG 4 -5.768 -3.348 0.393
44 HD3 ARG 4 3HD ARG 4 -4.300 -4.253 0.760
45 HE ARG 4 HE ARG 4 -3.506 -1.634 0.506
46 HH11 ARG 4 1HH1 ARG 4 -5.748 -3.402 2.499
47 HH12 ARG 4 2HH1 ARG 4 -5.586 -2.335 3.854
48 HH21 ARG 4 1HH2 ARG 4 -3.284 -0.223 2.285
49 HH22 ARG 4 2HH2 ARG 4 -4.185 -0.527 3.731
50 H HIS 5 H HIS 5 -1.843 -2.852 -4.450
51 HA HIS 5 HA HIS 5 -4.487 -2.827 -5.642
52 HB2 HIS 5 2HB HIS 5 -2.072 -1.178 -5.790
53 HB3 HIS 5 3HB HIS 5 -2.846 -1.420 -7.353
54 HD1 HIS 5 HD1 HIS 5 -4.027 -0.490 -3.847
55 HD2 HIS 5 HD2 HIS 5 -4.675 0.498 -7.831
56 HE1 HIS 5 HE1 HIS 5 -5.734 1.357 -3.813
57 H ILE 6 H ILE 6 -1.487 -4.446 -6.071
58 HA ILE 6 HA ILE 6 -2.184 -5.290 -8.786
59 HB ILE 6 HB ILE 6 0.141 -4.553 -8.334
60 HG12 ILE 6 2HG1 ILE 6 -0.520 -7.294 -9.321
61 HG13 ILE 6 3HG1 ILE 6 0.078 -5.898 -10.211
62 HG21 ILE 6 1HG2 ILE 6 0.041 -5.672 -5.984
63 HG22 ILE 6 2HG2 ILE 6 0.620 -7.096 -6.846
64 HG23 ILE 6 3HG2 ILE 6 1.568 -5.610 -6.863
65 HD11 ILE 6 1HD1 ILE 6 1.801 -7.521 -10.177
66 HD12 ILE 6 2HD1 ILE 6 2.278 -6.234 -9.070
67 HD13 ILE 6 3HD1 ILE 6 1.639 -7.750 -8.436
68 H SER 7 H SER 7 -1.719 -6.550 -5.534
69 HA SER 7 HA SER 7 -1.737 -9.268 -5.993
70 HB2 SER 7 2HB SER 7 -2.723 -7.565 -3.736
71 HB3 SER 7 3HB SER 7 -3.057 -9.296 -3.716
72 HG SER 7 HG SER 7 -0.863 -9.699 -3.763
73 H GLU 8 H GLU 8 -4.496 -7.061 -5.760
74 HA GLU 8 HA GLU 8 -6.416 -9.171 -6.168
75 HB2 GLU 8 2HB GLU 8 -7.135 -7.341 -4.820
76 HB3 GLU 8 3HB GLU 8 -6.644 -6.167 -6.034
77 HG2 GLU 8 2HG GLU 8 -8.588 -6.302 -7.099
78 HG3 GLU 8 3HG GLU 8 -8.584 -8.064 -7.057
79 H GLN 9 H GLN 9 -4.712 -6.848 -8.125
80 HA GLN 9 HA GLN 9 -6.394 -7.105 -10.426
81 HB2 GLN 9 2HB GLN 9 -5.134 -5.090 -10.212
82 HB3 GLN 9 3HB GLN 9 -3.627 -5.975 -10.020
83 HG2 GLN 9 2HG GLN 9 -3.809 -6.759 -12.337
84 HG3 GLN 9 3HG GLN 9 -5.292 -5.825 -12.523
85 HE21 GLN 9 1HE2 GLN 9 -4.824 -4.205 -13.835
86 HE22 GLN 9 2HE2 GLN 9 -3.482 -3.130 -13.673
87 H LEU 10 H LEU 10 -3.041 -8.166 -9.810
88 HA LEU 10 HA LEU 10 -2.791 -9.767 -12.081
89 HB2 LEU 10 2HB LEU 10 -0.870 -10.715 -11.052
90 HB3 LEU 10 3HB LEU 10 -0.943 -9.015 -10.591
91 HG LEU 10 HG LEU 10 -2.170 -10.090 -8.467
92 HD11 LEU 10 1HD1 LEU 10 -1.224 -12.348 -9.826
93 HD12 LEU 10 2HD1 LEU 10 -1.867 -12.268 -8.186
94 HD13 LEU 10 3HD1 LEU 10 -0.133 -12.110 -8.462
95 HD21 LEU 10 1HD2 LEU 10 0.658 -9.461 -9.100
96 HD22 LEU 10 2HD2 LEU 10 0.325 -10.276 -7.572
97 HD23 LEU 10 3HD2 LEU 10 -0.435 -8.724 -7.928
98 H ARG 11 H ARG 11 -4.590 -10.276 -9.227
99 HA ARG 11 HA ARG 11 -4.594 -13.137 -9.272
100 HB2 ARG 11 2HB ARG 11 -5.072 -12.088 -7.187
101 HB3 ARG 11 3HB ARG 11 -6.337 -11.096 -7.900
102 HG2 ARG 11 2HG ARG 11 -7.880 -12.661 -7.573
103 HG3 ARG 11 3HG ARG 11 -6.849 -13.927 -8.244
104 HD2 ARG 11 2HD ARG 11 -6.700 -12.830 -5.438
105 HD3 ARG 11 3HD ARG 11 -7.423 -14.369 -5.905
106 HE ARG 11 HE ARG 11 -4.741 -14.235 -6.788
107 HH11 ARG 11 1HH1 ARG 11 -6.657 -14.639 -3.910
108 HH12 ARG 11 2HH1 ARG 11 -5.449 -15.560 -3.078
109 HH21 ARG 11 1HH2 ARG 11 -3.142 -15.447 -5.703
110 HH22 ARG 11 2HH2 ARG 11 -3.450 -16.018 -4.098
111 H ARG 12 H ARG 12 -6.860 -10.626 -10.356
112 HA ARG 12 HA ARG 12 -8.289 -12.694 -11.894
113 HB2 ARG 12 2HB ARG 12 -9.304 -10.046 -10.844
114 HB3 ARG 12 3HB ARG 12 -10.230 -11.153 -11.849
115 HG2 ARG 12 2HG ARG 12 -10.283 -12.797 -10.140
116 HG3 ARG 12 3HG ARG 12 -9.100 -11.916 -9.172
117 HD2 ARG 12 2HD ARG 12 -10.975 -10.019 -9.404
118 HD3 ARG 12 3HD ARG 12 -12.000 -11.448 -9.529
119 HE ARG 12 HE ARG 12 -10.320 -11.817 -7.344
120 HH11 ARG 12 1HH1 ARG 12 -12.874 -9.670 -8.337
121 HH12 ARG 12 2HH1 ARG 12 -13.422 -9.363 -6.722
122 HH21 ARG 12 1HH2 ARG 12 -11.031 -11.421 -5.213
123 HH22 ARG 12 2HH2 ARG 12 -12.372 -10.359 -4.946
124 H ARG 13 H ARG 13 -7.996 -9.146 -12.082
125 HA ARG 13 HA ARG 13 -7.846 -9.317 -14.976
126 HB2 ARG 13 2HB ARG 13 -7.937 -6.845 -14.887
127 HB3 ARG 13 3HB ARG 13 -9.273 -7.605 -14.032
128 HG2 ARG 13 2HG ARG 13 -7.012 -7.098 -12.290
129 HG3 ARG 13 3HG ARG 13 -7.611 -5.628 -13.063
130 HD2 ARG 13 2HD ARG 13 -9.323 -7.615 -11.575
131 HD3 ARG 13 3HD ARG 13 -8.700 -6.114 -10.891
132 HE ARG 13 HE ARG 13 -10.967 -6.401 -12.577
133 HH11 ARG 13 1HH1 ARG 13 -8.315 -4.269 -11.840
134 HH12 ARG 13 2HH1 ARG 13 -9.148 -2.841 -12.357
135 HH21 ARG 13 1HH2 ARG 13 -12.075 -4.528 -13.261
136 HH22 ARG 13 2HH2 ARG 13 -11.287 -2.989 -13.164
137 H ASP 14 H ASP 14 -5.701 -10.528 -14.518
138 HA ASP 14 HA ASP 14 -3.427 -8.926 -13.837
139 HB2 ASP 14 2HB ASP 14 -2.162 -10.950 -14.756
140 HB3 ASP 14 3HB ASP 14 -3.204 -11.227 -13.364
141 H ARG 15 H ARG 15 -4.405 -7.328 -15.579
142 HA ARG 15 HA ARG 15 -3.383 -7.929 -18.248
143 HB2 ARG 15 2HB ARG 15 -4.789 -5.399 -17.421
144 HB3 ARG 15 3HB ARG 15 -4.658 -6.100 -19.029
145 HG2 ARG 15 2HG ARG 15 -6.116 -7.935 -18.358
146 HG3 ARG 15 3HG ARG 15 -6.236 -7.250 -16.736
147 HD2 ARG 15 2HD ARG 15 -7.549 -5.492 -17.431
148 HD3 ARG 15 3HD ARG 15 -6.939 -5.553 -19.084
149 HE ARG 15 HE ARG 15 -8.345 -7.912 -18.603
150 HH11 ARG 15 1HH1 ARG 15 -8.953 -4.493 -18.848
151 HH12 ARG 15 2HH1 ARG 15 -10.579 -4.690 -19.414
152 HH21 ARG 15 1HH2 ARG 15 -10.484 -8.185 -19.348
153 HH22 ARG 15 2HH2 ARG 15 -11.449 -6.790 -19.697
154 H LEU 16 H LEU 16 -2.294 -6.533 -15.424
155 HA LEU 16 HA LEU 16 -0.769 -4.374 -16.529
156 HB2 LEU 16 2HB LEU 16 -1.221 -4.017 -14.309
157 HB3 LEU 16 3HB LEU 16 -0.987 -5.710 -13.880
158 HG LEU 16 HG LEU 16 1.452 -5.397 -14.098
159 HD11 LEU 16 1HD1 LEU 16 0.614 -2.902 -15.267
160 HD12 LEU 16 2HD1 LEU 16 2.203 -3.667 -15.267
161 HD13 LEU 16 3HD1 LEU 16 1.725 -2.628 -13.925
162 HD21 LEU 16 1HD2 LEU 16 0.920 -5.229 -11.895
163 HD22 LEU 16 2HD2 LEU 16 -0.226 -3.913 -12.156
164 HD23 LEU 16 3HD2 LEU 16 1.508 -3.586 -12.152
165 H GLN 17 H GLN 17 -0.271 -7.770 -16.013
166 HA GLN 17 HA GLN 17 2.478 -7.982 -15.941
167 HB2 GLN 17 2HB GLN 17 0.260 -9.714 -16.529
168 HB3 GLN 17 3HB GLN 17 1.582 -10.050 -17.639
169 HG2 GLN 17 2HG GLN 17 2.614 -9.766 -14.989
170 HG3 GLN 17 3HG GLN 17 1.279 -10.918 -14.987
171 HE21 GLN 17 1HE2 GLN 17 4.256 -10.108 -16.716
172 HE22 GLN 17 2HE2 GLN 17 4.690 -11.737 -17.092
173 H ARG 18 H ARG 18 0.375 -7.543 -18.746
174 HA ARG 18 HA ARG 18 2.603 -7.614 -20.589
175 HB2 ARG 18 2HB ARG 18 0.995 -7.389 -22.320
176 HB3 ARG 18 3HB ARG 18 0.278 -8.457 -21.121
177 HG2 ARG 18 2HG ARG 18 -0.578 -5.977 -20.314
178 HG3 ARG 18 3HG ARG 18 -0.603 -5.856 -22.075
179 HD2 ARG 18 2HD ARG 18 -1.731 -8.270 -21.778
180 HD3 ARG 18 3HD ARG 18 -2.224 -7.532 -20.255
181 HE ARG 18 HE ARG 18 -3.641 -6.147 -21.414
182 HH11 ARG 18 1HH1 ARG 18 -1.464 -7.710 -23.637
183 HH12 ARG 18 2HH1 ARG 18 -2.308 -7.167 -25.049
184 HH21 ARG 18 1HH2 ARG 18 -4.761 -5.426 -23.266
185 HH22 ARG 18 2HH2 ARG 18 -4.183 -5.868 -24.837
186 H GLN 19 H GLN 19 0.843 -5.259 -18.787
187 HA GLN 19 HA GLN 19 1.349 -2.989 -20.391
188 HB2 GLN 19 2HB GLN 19 0.715 -3.349 -17.472
189 HB3 GLN 19 3HB GLN 19 1.014 -1.758 -18.159
190 HG2 GLN 19 2HG GLN 19 -0.817 -2.744 -19.898
191 HG3 GLN 19 3HG GLN 19 -1.322 -3.508 -18.392
192 HE21 GLN 19 1HE2 GLN 19 -2.067 -2.239 -16.705
193 HE22 GLN 19 2HE2 GLN 19 -2.517 -0.585 -16.919
194 H ALA 20 H ALA 20 3.191 -4.605 -17.874
195 HA ALA 20 HA ALA 20 5.346 -4.393 -17.171
196 HB1 ALA 20 1HB ALA 20 6.716 -4.483 -18.912
197 HB2 ALA 20 2HB ALA 20 5.381 -3.984 -19.951
198 HB3 ALA 20 3HB ALA 20 6.456 -2.772 -19.254
Start of MODEL 10
1 H1 ARG 1 H ARG 1 4.329 -1.701 -0.403
2 HA ARG 1 HA ARG 1 2.076 -0.708 -0.762
3 HB2 ARG 1 2HB ARG 1 4.397 0.510 -1.207
4 HB3 ARG 1 3HB ARG 1 3.801 0.517 -2.862
5 HG2 ARG 1 2HG ARG 1 2.140 2.000 -2.408
6 HG3 ARG 1 3HG ARG 1 1.960 1.456 -0.739
7 HD2 ARG 1 2HD ARG 1 4.378 2.472 -0.503
8 HD3 ARG 1 3HD ARG 1 3.879 3.409 -1.910
9 HE ARG 1 HE ARG 1 1.815 3.753 -0.217
10 HH11 ARG 1 1HH1 ARG 1 5.259 4.084 0.168
11 HH12 ARG 1 2HH1 ARG 1 5.137 5.327 1.369
12 HH21 ARG 1 1HH2 ARG 1 1.641 5.388 1.364
13 HH22 ARG 1 2HH2 ARG 1 3.078 6.067 2.050
14 H TRP 2 H TRP 2 3.743 -1.601 -3.786
15 HA TRP 2 HA TRP 2 1.352 -1.375 -5.346
16 HB2 TRP 2 2HB TRP 2 3.552 -0.978 -6.345
17 HB3 TRP 2 3HB TRP 2 4.018 -2.644 -6.010
18 HD1 TRP 2 HD1 TRP 2 3.232 -4.491 -7.699
19 HE1 TRP 2 HE1 TRP 2 2.038 -4.418 -9.978
20 HE3 TRP 2 HE3 TRP 2 1.717 0.391 -7.666
21 HZ2 TRP 2 HZ2 TRP 2 0.640 -2.539 -11.554
22 HZ3 TRP 2 HZ3 TRP 2 0.457 1.248 -9.597
23 HH2 TRP 2 HH2 TRP 2 -0.069 -0.188 -11.500
24 H LYS 3 H LYS 3 2.718 -3.808 -3.381
25 HA LYS 3 HA LYS 3 1.811 -6.134 -4.660
26 HB2 LYS 3 2HB LYS 3 2.208 -7.258 -2.611
27 HB3 LYS 3 3HB LYS 3 3.407 -5.974 -2.696
28 HG2 LYS 3 2HG LYS 3 2.081 -4.609 -1.185
29 HG3 LYS 3 3HG LYS 3 0.839 -5.861 -1.126
30 HD2 LYS 3 2HD LYS 3 3.436 -6.956 -0.512
31 HD3 LYS 3 3HD LYS 3 3.059 -5.598 0.551
32 HE2 LYS 3 2HE LYS 3 1.100 -7.817 0.034
33 HE3 LYS 3 3HE LYS 3 2.320 -7.925 1.302
34 HZ1 LYS 3 1HZ LYS 3 1.341 -6.256 2.511
35 HZ2 LYS 3 2HZ LYS 3 -0.023 -6.999 1.841
36 HZ3 LYS 3 3HZ LYS 3 0.572 -5.564 1.172
37 H ARG 4 H ARG 4 0.205 -3.873 -2.498
38 HA ARG 4 HA ARG 4 -2.148 -5.480 -2.183
39 HB2 ARG 4 2HB ARG 4 -1.648 -3.954 -0.424
40 HB3 ARG 4 3HB ARG 4 -1.514 -2.603 -1.542
41 HG2 ARG 4 2HG ARG 4 -3.721 -2.222 -1.543
42 HG3 ARG 4 3HG ARG 4 -4.120 -3.941 -1.560
43 HD2 ARG 4 2HD ARG 4 -3.103 -2.493 0.876
44 HD3 ARG 4 3HD ARG 4 -4.816 -2.684 0.506
45 HE ARG 4 HE ARG 4 -3.492 -5.190 0.470
46 HH11 ARG 4 1HH1 ARG 4 -4.711 -2.748 2.631
47 HH12 ARG 4 2HH1 ARG 4 -4.983 -3.854 3.937
48 HH21 ARG 4 1HH2 ARG 4 -3.846 -6.656 2.182
49 HH22 ARG 4 2HH2 ARG 4 -4.490 -6.076 3.680
50 H HIS 5 H HIS 5 -1.047 -3.068 -4.428
51 HA HIS 5 HA HIS 5 -3.682 -2.652 -5.564
52 HB2 HIS 5 2HB HIS 5 -1.009 -1.434 -5.863
53 HB3 HIS 5 3HB HIS 5 -1.984 -1.474 -7.330
54 HD1 HIS 5 HD1 HIS 5 -1.242 0.760 -4.775
55 HD2 HIS 5 HD2 HIS 5 -4.821 -0.497 -6.470
56 HE1 HIS 5 HE1 HIS 5 -2.911 2.561 -4.234
57 H ILE 6 H ILE 6 -0.964 -4.700 -6.047
58 HA ILE 6 HA ILE 6 -1.842 -5.448 -8.737
59 HB ILE 6 HB ILE 6 0.577 -5.066 -8.339
60 HG12 ILE 6 2HG1 ILE 6 -0.510 -7.680 -9.290
61 HG13 ILE 6 3HG1 ILE 6 0.272 -6.395 -10.203
62 HG21 ILE 6 1HG2 ILE 6 1.860 -6.318 -6.890
63 HG22 ILE 6 2HG2 ILE 6 0.361 -6.146 -5.979
64 HG23 ILE 6 3HG2 ILE 6 0.701 -7.646 -6.842
65 HD11 ILE 6 1HD1 ILE 6 2.421 -7.053 -9.107
66 HD12 ILE 6 2HD1 ILE 6 1.574 -8.454 -8.449
67 HD13 ILE 6 3HD1 ILE 6 1.731 -8.258 -10.194
68 H SER 7 H SER 7 -1.500 -6.746 -5.485
69 HA SER 7 HA SER 7 -1.938 -9.433 -5.921
70 HB2 SER 7 2HB SER 7 -1.412 -8.720 -3.711
71 HB3 SER 7 3HB SER 7 -2.810 -7.647 -3.647
72 HG SER 7 HG SER 7 -2.887 -9.848 -2.582
73 H GLU 8 H GLU 8 -4.328 -6.835 -5.646
74 HA GLU 8 HA GLU 8 -6.552 -8.633 -5.997
75 HB2 GLU 8 2HB GLU 8 -6.956 -6.709 -4.649
76 HB3 GLU 8 3HB GLU 8 -6.324 -5.628 -5.883
77 HG2 GLU 8 2HG GLU 8 -8.292 -5.472 -6.898
78 HG3 GLU 8 3HG GLU 8 -8.547 -7.216 -6.852
79 H GLN 9 H GLN 9 -4.564 -6.598 -8.007
80 HA GLN 9 HA GLN 9 -6.315 -6.611 -10.270
81 HB2 GLN 9 2HB GLN 9 -4.741 -4.811 -10.062
82 HB3 GLN 9 3HB GLN 9 -3.390 -5.932 -9.966
83 HG2 GLN 9 2HG GLN 9 -3.734 -6.592 -12.268
84 HG3 GLN 9 3HG GLN 9 -5.151 -5.550 -12.376
85 HE21 GLN 9 1HE2 GLN 9 -1.984 -4.971 -10.915
86 HE22 GLN 9 2HE2 GLN 9 -1.584 -3.607 -11.896
87 H LEU 10 H LEU 10 -3.147 -8.161 -9.718
88 HA LEU 10 HA LEU 10 -3.193 -9.792 -11.981
89 HB2 LEU 10 2HB LEU 10 -1.407 -11.005 -10.995
90 HB3 LEU 10 3HB LEU 10 -1.220 -9.314 -10.533
91 HG LEU 10 HG LEU 10 -2.544 -10.204 -8.381
92 HD11 LEU 10 1HD1 LEU 10 -0.796 -12.507 -8.507
93 HD12 LEU 10 2HD1 LEU 10 -2.055 -12.567 -9.740
94 HD13 LEU 10 3HD1 LEU 10 -2.494 -12.400 -8.040
95 HD21 LEU 10 1HD2 LEU 10 0.334 -10.000 -9.076
96 HD22 LEU 10 2HD2 LEU 10 -0.088 -10.748 -7.535
97 HD23 LEU 10 3HD2 LEU 10 -0.613 -9.101 -7.891
98 H ARG 11 H ARG 11 -4.981 -10.010 -9.084
99 HA ARG 11 HA ARG 11 -5.412 -12.840 -9.107
100 HB2 ARG 11 2HB ARG 11 -5.670 -11.725 -7.017
101 HB3 ARG 11 3HB ARG 11 -6.792 -10.556 -7.703
102 HG2 ARG 11 2HG ARG 11 -8.541 -11.870 -7.318
103 HG3 ARG 11 3HG ARG 11 -7.735 -13.276 -8.018
104 HD2 ARG 11 2HD ARG 11 -6.674 -12.460 -5.415
105 HD3 ARG 11 3HD ARG 11 -8.363 -12.963 -5.376
106 HE ARG 11 HE ARG 11 -7.092 -14.908 -6.816
107 HH11 ARG 11 1HH1 ARG 11 -6.704 -13.523 -3.645
108 HH12 ARG 11 2HH1 ARG 11 -6.080 -14.978 -2.943
109 HH21 ARG 11 1HH2 ARG 11 -6.271 -16.830 -5.903
110 HH22 ARG 11 2HH2 ARG 11 -5.833 -16.859 -4.228
111 H ARG 12 H ARG 12 -7.288 -10.018 -10.165
112 HA ARG 12 HA ARG 12 -9.064 -11.851 -11.638
113 HB2 ARG 12 2HB ARG 12 -9.629 -9.065 -10.607
114 HB3 ARG 12 3HB ARG 12 -10.743 -10.033 -11.563
115 HG2 ARG 12 2HG ARG 12 -9.663 -10.893 -8.891
116 HG3 ARG 12 3HG ARG 12 -11.183 -10.021 -9.105
117 HD2 ARG 12 2HD ARG 12 -11.818 -11.890 -10.728
118 HD3 ARG 12 3HD ARG 12 -10.454 -12.777 -10.050
119 HE ARG 12 HE ARG 12 -12.172 -11.809 -8.005
120 HH11 ARG 12 1HH1 ARG 12 -11.869 -14.289 -10.429
121 HH12 ARG 12 2HH1 ARG 12 -12.864 -15.424 -9.578
122 HH21 ARG 12 1HH2 ARG 12 -13.482 -13.294 -6.875
123 HH22 ARG 12 2HH2 ARG 12 -13.781 -14.857 -7.557
124 H ARG 13 H ARG 13 -8.219 -8.396 -11.878
125 HA ARG 13 HA ARG 13 -8.170 -8.618 -14.774
126 HB2 ARG 13 2HB ARG 13 -7.884 -6.158 -14.716
127 HB3 ARG 13 3HB ARG 13 -9.301 -6.700 -13.828
128 HG2 ARG 13 2HG ARG 13 -6.973 -6.533 -12.121
129 HG3 ARG 13 3HG ARG 13 -7.321 -4.997 -12.917
130 HD2 ARG 13 2HD ARG 13 -9.606 -6.475 -11.741
131 HD3 ARG 13 3HD ARG 13 -8.469 -5.721 -10.624
132 HE ARG 13 HE ARG 13 -9.015 -3.732 -12.365
133 HH11 ARG 13 1HH1 ARG 13 -11.023 -5.879 -10.499
134 HH12 ARG 13 2HH1 ARG 13 -12.318 -4.739 -10.338
135 HH21 ARG 13 1HH2 ARG 13 -10.713 -2.223 -12.160
136 HH22 ARG 13 2HH2 ARG 13 -12.141 -2.660 -11.284
137 H ASP 14 H ASP 14 -6.223 -10.132 -14.350
138 HA ASP 14 HA ASP 14 -3.719 -8.886 -13.733
139 HB2 ASP 14 2HB ASP 14 -2.794 -11.086 -14.658
140 HB3 ASP 14 3HB ASP 14 -3.834 -11.192 -13.240
141 H ARG 15 H ARG 15 -4.484 -7.172 -15.472
142 HA ARG 15 HA ARG 15 -3.611 -7.943 -18.152
143 HB2 ARG 15 2HB ARG 15 -4.645 -5.238 -17.325
144 HB3 ARG 15 3HB ARG 15 -4.620 -5.949 -18.933
145 HG2 ARG 15 2HG ARG 15 -6.315 -7.560 -18.269
146 HG3 ARG 15 3HG ARG 15 -6.318 -6.896 -16.634
147 HD2 ARG 15 2HD ARG 15 -6.810 -5.069 -18.936
148 HD3 ARG 15 3HD ARG 15 -8.105 -6.144 -18.410
149 HE ARG 15 HE ARG 15 -6.980 -4.743 -16.212
150 HH11 ARG 15 1HH1 ARG 15 -9.117 -4.366 -18.934
151 HH12 ARG 15 2HH1 ARG 15 -10.041 -3.098 -18.200
152 HH21 ARG 15 1HH2 ARG 15 -8.189 -3.073 -15.235
153 HH22 ARG 15 2HH2 ARG 15 -9.511 -2.362 -16.096
154 H LEU 16 H LEU 16 -2.317 -6.629 -15.357
155 HA LEU 16 HA LEU 16 -0.534 -4.714 -16.484
156 HB2 LEU 16 2HB LEU 16 -0.838 -4.345 -14.247
157 HB3 LEU 16 3HB LEU 16 -0.851 -6.063 -13.856
158 HG LEU 16 HG LEU 16 1.593 -6.126 -14.129
159 HD11 LEU 16 1HD1 LEU 16 2.295 -3.427 -13.969
160 HD12 LEU 16 2HD1 LEU 16 1.132 -3.536 -15.291
161 HD13 LEU 16 3HD1 LEU 16 2.586 -4.534 -15.312
162 HD21 LEU 16 1HD2 LEU 16 0.223 -4.409 -12.141
163 HD22 LEU 16 2HD2 LEU 16 1.985 -4.341 -12.191
164 HD23 LEU 16 3HD2 LEU 16 1.169 -5.880 -11.912
165 H GLN 17 H GLN 17 -0.407 -8.159 -15.906
166 HA GLN 17 HA GLN 17 2.302 -8.663 -16.037
167 HB2 GLN 17 2HB GLN 17 0.687 -10.414 -15.568
168 HB3 GLN 17 3HB GLN 17 0.029 -10.284 -17.194
169 HG2 GLN 17 2HG GLN 17 2.223 -11.001 -18.088
170 HG3 GLN 17 3HG GLN 17 2.775 -11.247 -16.432
171 HE21 GLN 17 1HE2 GLN 17 2.916 -13.358 -16.142
172 HE22 GLN 17 2HE2 GLN 17 1.692 -14.516 -16.524
173 H ARG 18 H ARG 18 0.069 -7.892 -18.628
174 HA ARG 18 HA ARG 18 2.040 -8.409 -20.688
175 HB2 ARG 18 2HB ARG 18 -0.324 -8.882 -21.127
176 HB3 ARG 18 3HB ARG 18 -0.722 -7.191 -20.855
177 HG2 ARG 18 2HG ARG 18 0.599 -6.550 -22.794
178 HG3 ARG 18 3HG ARG 18 1.045 -8.238 -23.057
179 HD2 ARG 18 2HD ARG 18 -0.819 -7.401 -24.506
180 HD3 ARG 18 3HD ARG 18 -1.203 -8.836 -23.557
181 HE ARG 18 HE ARG 18 -2.803 -7.630 -22.459
182 HH11 ARG 18 1HH1 ARG 18 -0.623 -5.430 -24.049
183 HH12 ARG 18 2HH1 ARG 18 -1.569 -4.025 -23.685
184 HH21 ARG 18 1HH2 ARG 18 -4.057 -5.787 -21.974
185 HH22 ARG 18 2HH2 ARG 18 -3.521 -4.229 -22.504
186 H GLN 19 H GLN 19 0.877 -5.736 -18.818
187 HA GLN 19 HA GLN 19 1.699 -3.633 -20.520
188 HB2 GLN 19 2HB GLN 19 1.199 -3.792 -17.553
189 HB3 GLN 19 3HB GLN 19 1.704 -2.301 -18.336
190 HG2 GLN 19 2HG GLN 19 -0.765 -3.863 -19.055
191 HG3 GLN 19 3HG GLN 19 -0.732 -2.459 -17.989
192 HE21 GLN 19 1HE2 GLN 19 -1.005 -3.541 -21.160
193 HE22 GLN 19 2HE2 GLN 19 -0.894 -2.014 -21.960
194 H ALA 20 H ALA 20 3.248 -4.966 -17.595
195 HA ALA 20 HA ALA 20 5.409 -4.938 -16.873
196 HB1 ALA 20 1HB ALA 20 6.902 -5.873 -18.309
197 HB2 ALA 20 2HB ALA 20 5.423 -6.174 -19.224
198 HB3 ALA 20 3HB ALA 20 6.457 -4.808 -19.643
Start of MODEL 11
1 H1 ARG 1 H ARG 1 5.213 -1.886 -2.418
2 HA ARG 1 HA ARG 1 2.893 -1.758 -0.605
3 HB2 ARG 1 2HB ARG 1 3.950 0.449 -2.380
4 HB3 ARG 1 3HB ARG 1 2.595 0.566 -1.266
5 HG2 ARG 1 2HG ARG 1 4.371 -0.120 0.517
6 HG3 ARG 1 3HG ARG 1 5.516 0.461 -0.693
7 HD2 ARG 1 2HD ARG 1 3.855 2.520 -0.744
8 HD3 ARG 1 3HD ARG 1 3.485 1.954 0.885
9 HE ARG 1 HE ARG 1 6.182 2.051 0.878
10 HH11 ARG 1 1HH1 ARG 1 3.721 4.346 -0.012
11 HH12 ARG 1 2HH1 ARG 1 4.672 5.730 0.415
12 HH21 ARG 1 1HH2 ARG 1 7.445 3.864 1.444
13 HH22 ARG 1 2HH2 ARG 1 6.791 5.454 1.242
14 H TRP 2 H TRP 2 3.995 -1.710 -3.951
15 HA TRP 2 HA TRP 2 1.394 -1.548 -5.100
16 HB2 TRP 2 2HB TRP 2 3.391 -0.865 -6.344
17 HB3 TRP 2 3HB TRP 2 3.998 -2.517 -6.298
18 HD1 TRP 2 HD1 TRP 2 3.147 -4.165 -8.132
19 HE1 TRP 2 HE1 TRP 2 1.589 -3.928 -10.167
20 HE3 TRP 2 HE3 TRP 2 1.197 0.453 -7.127
21 HZ2 TRP 2 HZ2 TRP 2 -0.226 -2.033 -11.209
22 HZ3 TRP 2 HZ3 TRP 2 -0.444 1.407 -8.694
23 HH2 TRP 2 HH2 TRP 2 -1.139 0.188 -10.692
24 H LYS 3 H LYS 3 3.201 -4.081 -3.690
25 HA LYS 3 HA LYS 3 2.259 -6.307 -5.106
26 HB2 LYS 3 2HB LYS 3 3.041 -7.622 -3.309
27 HB3 LYS 3 3HB LYS 3 4.103 -6.222 -3.351
28 HG2 LYS 3 2HG LYS 3 1.720 -6.400 -1.532
29 HG3 LYS 3 3HG LYS 3 3.327 -6.969 -1.074
30 HD2 LYS 3 2HD LYS 3 3.957 -4.515 -1.957
31 HD3 LYS 3 3HD LYS 3 2.306 -4.213 -1.410
32 HE2 LYS 3 2HE LYS 3 4.476 -5.484 0.255
33 HE3 LYS 3 3HE LYS 3 4.008 -3.786 0.336
34 HZ1 LYS 3 1HZ LYS 3 1.797 -5.603 0.615
35 HZ2 LYS 3 2HZ LYS 3 2.225 -4.268 1.562
36 HZ3 LYS 3 3HZ LYS 3 2.953 -5.770 1.838
37 H ARG 4 H ARG 4 0.795 -4.368 -2.591
38 HA ARG 4 HA ARG 4 -1.365 -6.208 -2.109
39 HB2 ARG 4 2HB ARG 4 -0.731 -4.818 -0.280
40 HB3 ARG 4 3HB ARG 4 -0.847 -3.362 -1.260
41 HG2 ARG 4 2HG ARG 4 -3.042 -3.153 -0.900
42 HG3 ARG 4 3HG ARG 4 -3.337 -4.881 -1.103
43 HD2 ARG 4 2HD ARG 4 -2.387 -5.227 1.183
44 HD3 ARG 4 3HD ARG 4 -2.328 -3.475 1.364
45 HE ARG 4 HE ARG 4 -4.926 -4.441 0.637
46 HH11 ARG 4 1HH1 ARG 4 -2.739 -3.886 3.289
47 HH12 ARG 4 2HH1 ARG 4 -4.000 -3.752 4.470
48 HH21 ARG 4 1HH2 ARG 4 -6.594 -4.267 2.183
49 HH22 ARG 4 2HH2 ARG 4 -6.191 -3.969 3.841
50 H HIS 5 H HIS 5 -0.769 -3.461 -4.172
51 HA HIS 5 HA HIS 5 -3.556 -3.199 -4.927
52 HB2 HIS 5 2HB HIS 5 -1.062 -1.689 -5.392
53 HB3 HIS 5 3HB HIS 5 -2.210 -1.669 -6.728
54 HD1 HIS 5 HD1 HIS 5 -1.352 0.589 -4.421
55 HD2 HIS 5 HD2 HIS 5 -4.981 -1.338 -5.033
56 HE1 HIS 5 HE1 HIS 5 -3.088 2.077 -3.374
57 H ILE 6 H ILE 6 -0.825 -4.989 -5.914
58 HA ILE 6 HA ILE 6 -1.955 -5.491 -8.573
59 HB ILE 6 HB ILE 6 0.457 -4.923 -8.423
60 HG12 ILE 6 2HG1 ILE 6 -0.535 -7.504 -9.551
61 HG13 ILE 6 3HG1 ILE 6 0.021 -6.057 -10.386
62 HG21 ILE 6 1HG2 ILE 6 0.637 -6.277 -6.204
63 HG22 ILE 6 2HG2 ILE 6 0.981 -7.630 -7.280
64 HG23 ILE 6 3HG2 ILE 6 2.014 -6.201 -7.302
65 HD11 ILE 6 1HD1 ILE 6 2.338 -6.635 -9.635
66 HD12 ILE 6 2HD1 ILE 6 1.692 -8.176 -9.069
67 HD13 ILE 6 3HD1 ILE 6 1.612 -7.761 -10.781
68 H SER 7 H SER 7 -1.077 -7.090 -5.563
69 HA SER 7 HA SER 7 -1.352 -9.744 -6.256
70 HB2 SER 7 2HB SER 7 -0.593 -9.254 -4.063
71 HB3 SER 7 3HB SER 7 -2.024 -8.289 -3.699
72 HG SER 7 HG SER 7 -2.047 -11.083 -4.203
73 H GLU 8 H GLU 8 -3.880 -7.419 -5.411
74 HA GLU 8 HA GLU 8 -5.984 -9.371 -5.669
75 HB2 GLU 8 2HB GLU 8 -6.222 -7.532 -4.084
76 HB3 GLU 8 3HB GLU 8 -6.088 -6.363 -5.391
77 HG2 GLU 8 2HG GLU 8 -8.164 -7.976 -6.202
78 HG3 GLU 8 3HG GLU 8 -8.390 -7.864 -4.457
79 H GLN 9 H GLN 9 -4.505 -6.904 -7.661
80 HA GLN 9 HA GLN 9 -6.517 -6.913 -9.686
81 HB2 GLN 9 2HB GLN 9 -4.888 -5.043 -9.257
82 HB3 GLN 9 3HB GLN 9 -3.635 -6.055 -9.965
83 HG2 GLN 9 2HG GLN 9 -4.453 -5.832 -12.084
84 HG3 GLN 9 3HG GLN 9 -6.107 -5.564 -11.536
85 HE21 GLN 9 1HE2 GLN 9 -4.993 -3.993 -13.482
86 HE22 GLN 9 2HE2 GLN 9 -4.748 -2.396 -12.870
87 H LEU 10 H LEU 10 -3.171 -8.158 -9.676
88 HA LEU 10 HA LEU 10 -3.319 -9.533 -12.094
89 HB2 LEU 10 2HB LEU 10 -1.343 -10.672 -11.431
90 HB3 LEU 10 3HB LEU 10 -1.251 -9.029 -10.800
91 HG LEU 10 HG LEU 10 -2.235 -10.224 -8.635
92 HD11 LEU 10 1HD1 LEU 10 -2.146 -12.437 -8.624
93 HD12 LEU 10 2HD1 LEU 10 -0.442 -12.406 -9.077
94 HD13 LEU 10 3HD1 LEU 10 -1.687 -12.405 -10.326
95 HD21 LEU 10 1HD2 LEU 10 0.296 -10.689 -8.092
96 HD22 LEU 10 2HD2 LEU 10 -0.302 -9.043 -8.301
97 HD23 LEU 10 3HD2 LEU 10 0.549 -9.847 -9.621
98 H ARG 11 H ARG 11 -4.742 -10.256 -9.072
99 HA ARG 11 HA ARG 11 -4.971 -13.095 -9.492
100 HB2 ARG 11 2HB ARG 11 -4.906 -12.366 -7.224
101 HB3 ARG 11 3HB ARG 11 -6.192 -11.198 -7.493
102 HG2 ARG 11 2HG ARG 11 -7.778 -12.701 -7.081
103 HG3 ARG 11 3HG ARG 11 -7.014 -13.910 -8.116
104 HD2 ARG 11 2HD ARG 11 -5.800 -14.814 -6.395
105 HD3 ARG 11 3HD ARG 11 -5.768 -13.306 -5.483
106 HE ARG 11 HE ARG 11 -8.408 -14.231 -5.582
107 HH11 ARG 11 1HH1 ARG 11 -5.336 -15.100 -4.194
108 HH12 ARG 11 2HH1 ARG 11 -6.034 -15.905 -2.827
109 HH21 ARG 11 1HH2 ARG 11 -9.339 -15.288 -3.788
110 HH22 ARG 11 2HH2 ARG 11 -8.311 -16.012 -2.598
111 H ARG 12 H ARG 12 -7.068 -10.270 -9.833
112 HA ARG 12 HA ARG 12 -9.215 -11.949 -10.886
113 HB2 ARG 12 2HB ARG 12 -9.067 -9.051 -10.077
114 HB3 ARG 12 3HB ARG 12 -10.446 -9.706 -10.950
115 HG2 ARG 12 2HG ARG 12 -9.557 -11.078 -8.467
116 HG3 ARG 12 3HG ARG 12 -10.431 -9.551 -8.330
117 HD2 ARG 12 2HD ARG 12 -11.393 -11.956 -9.874
118 HD3 ARG 12 3HD ARG 12 -11.902 -11.544 -8.237
119 HE ARG 12 HE ARG 12 -12.318 -9.384 -10.045
120 HH11 ARG 12 1HH1 ARG 12 -13.623 -12.435 -8.992
121 HH12 ARG 12 2HH1 ARG 12 -15.251 -12.040 -9.434
122 HH21 ARG 12 1HH2 ARG 12 -14.457 -8.852 -10.631
123 HH22 ARG 12 2HH2 ARG 12 -15.724 -10.001 -10.367
124 H ARG 13 H ARG 13 -7.803 -8.817 -11.855
125 HA ARG 13 HA ARG 13 -7.963 -9.729 -14.653
126 HB2 ARG 13 2HB ARG 13 -9.053 -7.365 -13.377
127 HB3 ARG 13 3HB ARG 13 -7.971 -6.937 -14.695
128 HG2 ARG 13 2HG ARG 13 -9.675 -7.264 -16.071
129 HG3 ARG 13 3HG ARG 13 -9.533 -8.988 -15.721
130 HD2 ARG 13 2HD ARG 13 -11.780 -8.470 -15.290
131 HD3 ARG 13 3HD ARG 13 -11.017 -8.532 -13.702
132 HE ARG 13 HE ARG 13 -11.017 -5.891 -14.761
133 HH11 ARG 13 1HH1 ARG 13 -13.028 -8.270 -13.205
134 HH12 ARG 13 2HH1 ARG 13 -14.085 -7.098 -12.491
135 HH21 ARG 13 1HH2 ARG 13 -12.402 -4.339 -13.826
136 HH22 ARG 13 2HH2 ARG 13 -13.729 -4.863 -12.845
137 H ASP 14 H ASP 14 -5.792 -10.476 -14.513
138 HA ASP 14 HA ASP 14 -3.659 -8.687 -13.825
139 HB2 ASP 14 2HB ASP 14 -2.230 -10.549 -14.831
140 HB3 ASP 14 3HB ASP 14 -3.216 -10.977 -13.435
141 H ARG 15 H ARG 15 -4.837 -7.140 -15.489
142 HA ARG 15 HA ARG 15 -4.018 -7.565 -18.232
143 HB2 ARG 15 2HB ARG 15 -6.152 -6.511 -17.876
144 HB3 ARG 15 3HB ARG 15 -5.426 -5.275 -16.857
145 HG2 ARG 15 2HG ARG 15 -4.343 -4.261 -18.704
146 HG3 ARG 15 3HG ARG 15 -4.733 -5.620 -19.760
147 HD2 ARG 15 2HD ARG 15 -7.035 -5.064 -19.775
148 HD3 ARG 15 3HD ARG 15 -6.839 -3.923 -18.446
149 HE ARG 15 HE ARG 15 -5.245 -2.902 -20.377
150 HH11 ARG 15 1HH1 ARG 15 -8.573 -3.923 -20.312
151 HH12 ARG 15 2HH1 ARG 15 -9.080 -2.791 -21.521
152 HH21 ARG 15 1HH2 ARG 15 -5.901 -1.406 -21.970
153 HH22 ARG 15 2HH2 ARG 15 -7.560 -1.360 -22.464
154 H LEU 16 H LEU 16 -2.778 -6.047 -15.418
155 HA LEU 16 HA LEU 16 -1.030 -4.237 -16.846
156 HB2 LEU 16 2HB LEU 16 -0.408 -3.396 -14.784
157 HB3 LEU 16 3HB LEU 16 -2.082 -3.884 -14.526
158 HG LEU 16 HG LEU 16 -0.596 -6.109 -13.778
159 HD11 LEU 16 1HD1 LEU 16 0.793 -4.744 -11.947
160 HD12 LEU 16 2HD1 LEU 16 0.907 -3.611 -13.294
161 HD13 LEU 16 3HD1 LEU 16 1.482 -5.267 -13.484
162 HD21 LEU 16 1HD2 LEU 16 -2.286 -4.069 -12.549
163 HD22 LEU 16 2HD2 LEU 16 -1.146 -4.814 -11.429
164 HD23 LEU 16 3HD2 LEU 16 -2.279 -5.820 -12.333
165 H GLN 17 H GLN 17 -0.956 -7.472 -15.697
166 HA GLN 17 HA GLN 17 1.721 -7.913 -15.177
167 HB2 GLN 17 2HB GLN 17 -0.434 -9.502 -15.245
168 HB3 GLN 17 3HB GLN 17 0.300 -9.978 -16.771
169 HG2 GLN 17 2HG GLN 17 1.732 -11.280 -15.710
170 HG3 GLN 17 3HG GLN 17 2.320 -9.912 -14.767
171 HE21 GLN 17 1HE2 GLN 17 2.159 -10.140 -12.664
172 HE22 GLN 17 2HE2 GLN 17 1.002 -11.110 -11.825
173 H ARG 18 H ARG 18 0.096 -7.506 -18.248
174 HA ARG 18 HA ARG 18 2.398 -8.312 -19.794
175 HB2 ARG 18 2HB ARG 18 -0.037 -6.850 -20.809
176 HB3 ARG 18 3HB ARG 18 1.072 -7.866 -21.721
177 HG2 ARG 18 2HG ARG 18 0.292 -9.792 -20.290
178 HG3 ARG 18 3HG ARG 18 -0.979 -8.718 -19.700
179 HD2 ARG 18 2HD ARG 18 -0.513 -9.659 -22.521
180 HD3 ARG 18 3HD ARG 18 -1.901 -9.993 -21.486
181 HE ARG 18 HE ARG 18 -1.721 -7.231 -21.794
182 HH11 ARG 18 1HH1 ARG 18 -2.323 -10.051 -23.745
183 HH12 ARG 18 2HH1 ARG 18 -3.328 -9.212 -24.880
184 HH21 ARG 18 1HH2 ARG 18 -3.042 -6.115 -23.282
185 HH22 ARG 18 2HH2 ARG 18 -3.735 -6.973 -24.616
186 H GLN 19 H GLN 19 1.017 -5.361 -18.565
187 HA GLN 19 HA GLN 19 2.400 -3.554 -20.253
188 HB2 GLN 19 2HB GLN 19 1.111 -3.272 -17.546
189 HB3 GLN 19 3HB GLN 19 1.933 -1.927 -18.326
190 HG2 GLN 19 2HG GLN 19 0.188 -3.021 -20.240
191 HG3 GLN 19 3HG GLN 19 -0.716 -2.905 -18.731
192 HE21 GLN 19 1HE2 GLN 19 0.044 -1.307 -21.475
193 HE22 GLN 19 2HE2 GLN 19 -0.182 0.322 -20.946
194 H ALA 20 H ALA 20 2.988 -4.312 -16.814
195 HA ALA 20 HA ALA 20 5.864 -4.215 -17.314
196 HB1 ALA 20 1HB ALA 20 6.168 -2.226 -16.385
197 HB2 ALA 20 2HB ALA 20 4.434 -2.073 -16.104
198 HB3 ALA 20 3HB ALA 20 5.462 -2.825 -14.884
Start of MODEL 12
1 H1 ARG 1 H ARG 1 4.656 -2.147 -0.495
2 HA ARG 1 HA ARG 1 2.314 -1.220 -0.770
3 HB2 ARG 1 2HB ARG 1 4.500 0.118 -1.071
4 HB3 ARG 1 3HB ARG 1 4.196 -0.038 -2.796
5 HG2 ARG 1 2HG ARG 1 2.094 1.124 -2.574
6 HG3 ARG 1 3HG ARG 1 2.286 1.190 -0.820
7 HD2 ARG 1 2HD ARG 1 4.320 2.380 -2.679
8 HD3 ARG 1 3HD ARG 1 2.890 3.280 -2.177
9 HE ARG 1 HE ARG 1 3.935 2.450 0.169
10 HH11 ARG 1 1HH1 ARG 1 5.285 4.100 -2.584
11 HH12 ARG 1 2HH1 ARG 1 6.461 4.965 -1.653
12 HH21 ARG 1 1HH2 ARG 1 5.480 3.584 1.406
13 HH22 ARG 1 2HH2 ARG 1 6.572 4.671 0.617
14 H TRP 2 H TRP 2 3.948 -1.655 -3.912
15 HA TRP 2 HA TRP 2 1.554 -1.599 -5.404
16 HB2 TRP 2 2HB TRP 2 3.709 -1.077 -6.421
17 HB3 TRP 2 3HB TRP 2 4.268 -2.722 -6.130
18 HD1 TRP 2 HD1 TRP 2 3.262 -4.657 -7.706
19 HE1 TRP 2 HE1 TRP 2 2.168 -4.561 -10.034
20 HE3 TRP 2 HE3 TRP 2 2.218 0.343 -7.906
21 HZ2 TRP 2 HZ2 TRP 2 1.015 -2.622 -11.730
22 HZ3 TRP 2 HZ3 TRP 2 1.118 1.239 -9.917
23 HH2 TRP 2 HH2 TRP 2 0.531 -0.214 -11.788
24 H LYS 3 H LYS 3 3.036 -4.063 -3.561
25 HA LYS 3 HA LYS 3 2.168 -6.358 -4.935
26 HB2 LYS 3 2HB LYS 3 2.676 -7.567 -2.961
27 HB3 LYS 3 3HB LYS 3 3.833 -6.245 -3.028
28 HG2 LYS 3 2HG LYS 3 2.518 -4.994 -1.405
29 HG3 LYS 3 3HG LYS 3 1.329 -6.297 -1.354
30 HD2 LYS 3 2HD LYS 3 4.152 -7.032 -0.838
31 HD3 LYS 3 3HD LYS 3 3.331 -6.087 0.407
32 HE2 LYS 3 2HE LYS 3 1.433 -7.845 0.093
33 HE3 LYS 3 3HE LYS 3 2.712 -8.828 -0.618
34 HZ1 LYS 3 1HZ LYS 3 3.969 -8.195 1.541
35 HZ2 LYS 3 2HZ LYS 3 2.811 -9.428 1.581
36 HZ3 LYS 3 3HZ LYS 3 2.422 -7.884 2.152
37 H ARG 4 H ARG 4 0.579 -4.271 -2.590
38 HA ARG 4 HA ARG 4 -1.708 -5.966 -2.272
39 HB2 ARG 4 2HB ARG 4 -1.191 -4.505 -0.463
40 HB3 ARG 4 3HB ARG 4 -1.144 -3.101 -1.521
41 HG2 ARG 4 2HG ARG 4 -3.357 -2.790 -1.411
42 HG3 ARG 4 3HG ARG 4 -3.705 -4.516 -1.516
43 HD2 ARG 4 2HD ARG 4 -2.649 -4.446 0.937
44 HD3 ARG 4 3HD ARG 4 -3.274 -2.799 0.857
45 HE ARG 4 HE ARG 4 -5.207 -4.736 0.041
46 HH11 ARG 4 1HH1 ARG 4 -3.731 -3.223 2.807
47 HH12 ARG 4 2HH1 ARG 4 -5.091 -3.495 3.845
48 HH21 ARG 4 1HH2 ARG 4 -7.004 -5.100 1.398
49 HH22 ARG 4 2HH2 ARG 4 -6.952 -4.564 3.043
50 H HIS 5 H HIS 5 -0.766 -3.441 -4.458
51 HA HIS 5 HA HIS 5 -3.457 -3.044 -5.465
52 HB2 HIS 5 2HB HIS 5 -1.271 -1.415 -5.359
53 HB3 HIS 5 3HB HIS 5 -1.201 -1.972 -7.029
54 HD1 HIS 5 HD1 HIS 5 -4.368 -2.074 -7.383
55 HD2 HIS 5 HD2 HIS 5 -2.139 1.139 -5.980
56 HE1 HIS 5 HE1 HIS 5 -5.778 -0.038 -7.816
57 H ILE 6 H ILE 6 -0.690 -4.977 -6.165
58 HA ILE 6 HA ILE 6 -1.678 -5.655 -8.833
59 HB ILE 6 HB ILE 6 0.743 -5.220 -8.538
60 HG12 ILE 6 2HG1 ILE 6 -0.342 -7.802 -9.549
61 HG13 ILE 6 3HG1 ILE 6 0.443 -6.493 -10.426
62 HG21 ILE 6 1HG2 ILE 6 2.135 -6.501 -7.206
63 HG22 ILE 6 2HG2 ILE 6 0.690 -6.352 -6.207
64 HG23 ILE 6 3HG2 ILE 6 0.986 -7.836 -7.112
65 HD11 ILE 6 1HD1 ILE 6 2.596 -7.222 -9.353
66 HD12 ILE 6 2HD1 ILE 6 1.732 -8.651 -8.787
67 HD13 ILE 6 3HD1 ILE 6 1.894 -8.347 -10.516
68 H SER 7 H SER 7 -1.167 -7.060 -5.651
69 HA SER 7 HA SER 7 -1.547 -9.743 -6.175
70 HB2 SER 7 2HB SER 7 -2.160 -8.008 -3.811
71 HB3 SER 7 3HB SER 7 -2.699 -9.687 -3.811
72 HG SER 7 HG SER 7 -0.032 -8.997 -4.425
73 H GLU 8 H GLU 8 -3.986 -7.222 -5.701
74 HA GLU 8 HA GLU 8 -6.177 -9.068 -6.019
75 HB2 GLU 8 2HB GLU 8 -6.580 -7.217 -4.578
76 HB3 GLU 8 3HB GLU 8 -6.016 -6.067 -5.782
77 HG2 GLU 8 2HG GLU 8 -8.013 -5.934 -6.756
78 HG3 GLU 8 3HG GLU 8 -8.256 -7.680 -6.705
79 H GLN 9 H GLN 9 -4.319 -6.929 -8.037
80 HA GLN 9 HA GLN 9 -6.179 -6.903 -10.218
81 HB2 GLN 9 2HB GLN 9 -4.102 -5.318 -9.563
82 HB3 GLN 9 3HB GLN 9 -3.313 -6.363 -10.737
83 HG2 GLN 9 2HG GLN 9 -4.186 -5.189 -12.388
84 HG3 GLN 9 3HG GLN 9 -5.810 -5.565 -11.815
85 HE21 GLN 9 1HE2 GLN 9 -6.578 -3.543 -12.429
86 HE22 GLN 9 2HE2 GLN 9 -6.195 -2.109 -11.547
87 H LEU 10 H LEU 10 -2.936 -8.351 -9.860
88 HA LEU 10 HA LEU 10 -2.938 -9.862 -12.177
89 HB2 LEU 10 2HB LEU 10 -1.203 -11.183 -11.185
90 HB3 LEU 10 3HB LEU 10 -0.990 -9.501 -10.705
91 HG LEU 10 HG LEU 10 -2.350 -10.363 -8.576
92 HD11 LEU 10 1HD1 LEU 10 -2.676 -12.579 -8.760
93 HD12 LEU 10 2HD1 LEU 10 -1.002 -12.675 -8.214
94 HD13 LEU 10 3HD1 LEU 10 -1.376 -12.782 -9.934
95 HD21 LEU 10 1HD2 LEU 10 0.578 -10.446 -9.198
96 HD22 LEU 10 2HD2 LEU 10 -0.019 -10.915 -7.606
97 HD23 LEU 10 3HD2 LEU 10 -0.324 -9.289 -8.218
98 H ARG 11 H ARG 11 -4.747 -10.319 -9.301
99 HA ARG 11 HA ARG 11 -5.208 -13.133 -9.635
100 HB2 ARG 11 2HB ARG 11 -5.370 -12.280 -7.416
101 HB3 ARG 11 3HB ARG 11 -6.494 -11.022 -7.909
102 HG2 ARG 11 2HG ARG 11 -8.255 -12.354 -7.646
103 HG3 ARG 11 3HG ARG 11 -7.482 -13.683 -8.510
104 HD2 ARG 11 2HD ARG 11 -6.988 -12.935 -5.630
105 HD3 ARG 11 3HD ARG 11 -8.000 -14.269 -6.182
106 HE ARG 11 HE ARG 11 -5.454 -14.579 -7.295
107 HH11 ARG 11 1HH1 ARG 11 -7.012 -14.664 -4.183
108 HH12 ARG 11 2HH1 ARG 11 -5.886 -15.792 -3.505
109 HH21 ARG 11 1HH2 ARG 11 -3.965 -16.064 -6.414
110 HH22 ARG 11 2HH2 ARG 11 -4.152 -16.588 -4.774
111 H ARG 12 H ARG 12 -7.074 -10.176 -10.255
112 HA ARG 12 HA ARG 12 -9.026 -11.780 -11.756
113 HB2 ARG 12 2HB ARG 12 -9.399 -9.781 -9.870
114 HB3 ARG 12 3HB ARG 12 -9.683 -8.963 -11.400
115 HG2 ARG 12 2HG ARG 12 -11.241 -10.913 -11.947
116 HG3 ARG 12 3HG ARG 12 -11.144 -11.302 -10.229
117 HD2 ARG 12 2HD ARG 12 -11.701 -8.719 -10.001
118 HD3 ARG 12 3HD ARG 12 -12.412 -8.987 -11.592
119 HE ARG 12 HE ARG 12 -14.136 -10.058 -10.562
120 HH11 ARG 12 1HH1 ARG 12 -11.376 -10.126 -8.442
121 HH12 ARG 12 2HH1 ARG 12 -12.233 -10.879 -7.138
122 HH21 ARG 12 1HH2 ARG 12 -15.275 -11.048 -8.852
123 HH22 ARG 12 2HH2 ARG 12 -14.450 -11.404 -7.372
124 H ARG 13 H ARG 13 -7.706 -8.473 -12.001
125 HA ARG 13 HA ARG 13 -7.604 -8.834 -14.920
126 HB2 ARG 13 2HB ARG 13 -8.492 -6.664 -13.222
127 HB3 ARG 13 3HB ARG 13 -7.250 -6.118 -14.340
128 HG2 ARG 13 2HG ARG 13 -8.845 -5.902 -15.860
129 HG3 ARG 13 3HG ARG 13 -8.956 -7.663 -15.894
130 HD2 ARG 13 2HD ARG 13 -11.151 -6.846 -15.515
131 HD3 ARG 13 3HD ARG 13 -10.575 -7.491 -13.978
132 HE ARG 13 HE ARG 13 -10.028 -4.721 -14.157
133 HH11 ARG 13 1HH1 ARG 13 -12.636 -6.974 -13.668
134 HH12 ARG 13 2HH1 ARG 13 -13.592 -5.866 -12.739
135 HH21 ARG 13 1HH2 ARG 13 -11.276 -3.254 -12.935
136 HH22 ARG 13 2HH2 ARG 13 -12.817 -3.751 -12.323
137 H ASP 14 H ASP 14 -5.559 -9.915 -14.784
138 HA ASP 14 HA ASP 14 -3.277 -8.594 -13.662
139 HB2 ASP 14 2HB ASP 14 -3.668 -11.137 -14.051
140 HB3 ASP 14 3HB ASP 14 -3.102 -10.806 -15.686
141 H ARG 15 H ARG 15 -4.181 -6.643 -15.099
142 HA ARG 15 HA ARG 15 -3.173 -6.668 -17.808
143 HB2 ARG 15 2HB ARG 15 -4.189 -4.290 -16.251
144 HB3 ARG 15 3HB ARG 15 -4.082 -4.462 -17.997
145 HG2 ARG 15 2HG ARG 15 -5.931 -5.962 -16.156
146 HG3 ARG 15 3HG ARG 15 -6.372 -4.682 -17.288
147 HD2 ARG 15 2HD ARG 15 -5.248 -6.288 -19.037
148 HD3 ARG 15 3HD ARG 15 -5.602 -7.512 -17.819
149 HE ARG 15 HE ARG 15 -7.781 -7.417 -18.464
150 HH11 ARG 15 1HH1 ARG 15 -6.241 -4.424 -19.353
151 HH12 ARG 15 2HH1 ARG 15 -7.640 -3.792 -20.158
152 HH21 ARG 15 1HH2 ARG 15 -9.629 -6.596 -19.520
153 HH22 ARG 15 2HH2 ARG 15 -9.566 -5.028 -20.251
154 H LEU 16 H LEU 16 -2.121 -5.607 -14.670
155 HA LEU 16 HA LEU 16 -0.236 -3.687 -15.279
156 HB2 LEU 16 2HB LEU 16 0.102 -5.867 -13.228
157 HB3 LEU 16 3HB LEU 16 0.877 -4.284 -13.229
158 HG LEU 16 HG LEU 16 -2.052 -4.856 -12.787
159 HD11 LEU 16 1HD1 LEU 16 0.266 -4.378 -11.025
160 HD12 LEU 16 2HD1 LEU 16 -1.215 -5.289 -10.736
161 HD13 LEU 16 3HD1 LEU 16 -1.224 -3.530 -10.610
162 HD21 LEU 16 1HD2 LEU 16 -1.758 -2.280 -12.112
163 HD22 LEU 16 2HD2 LEU 16 -2.262 -2.805 -13.719
164 HD23 LEU 16 3HD2 LEU 16 -0.577 -2.375 -13.418
165 H GLN 17 H GLN 17 0.343 -7.197 -15.001
166 HA GLN 17 HA GLN 17 3.001 -7.232 -15.754
167 HB2 GLN 17 2HB GLN 17 0.862 -9.152 -15.504
168 HB3 GLN 17 3HB GLN 17 1.864 -9.531 -16.899
169 HG2 GLN 17 2HG GLN 17 3.442 -10.367 -15.600
170 HG3 GLN 17 3HG GLN 17 3.533 -8.869 -14.675
171 HE21 GLN 17 1HE2 GLN 17 1.861 -11.945 -14.956
172 HE22 GLN 17 2HE2 GLN 17 1.374 -12.044 -13.301
173 H ARG 18 H ARG 18 0.154 -6.845 -17.721
174 HA ARG 18 HA ARG 18 1.552 -7.281 -20.210
175 HB2 ARG 18 2HB ARG 18 -1.179 -6.053 -19.833
176 HB3 ARG 18 3HB ARG 18 -0.537 -6.816 -21.281
177 HG2 ARG 18 2HG ARG 18 -0.335 -8.885 -19.623
178 HG3 ARG 18 3HG ARG 18 -1.661 -8.032 -18.831
179 HD2 ARG 18 2HD ARG 18 -3.042 -8.197 -20.709
180 HD3 ARG 18 3HD ARG 18 -1.690 -8.552 -21.783
181 HE ARG 18 HE ARG 18 -1.946 -10.585 -19.840
182 HH11 ARG 18 1HH1 ARG 18 -3.477 -9.352 -22.713
183 HH12 ARG 18 2HH1 ARG 18 -4.144 -10.883 -23.173
184 HH21 ARG 18 1HH2 ARG 18 -2.818 -12.607 -20.435
185 HH22 ARG 18 2HH2 ARG 18 -3.770 -12.734 -21.875
186 H GLN 19 H GLN 19 0.636 -4.585 -18.192
187 HA GLN 19 HA GLN 19 1.203 -2.592 -20.190
188 HB2 GLN 19 2HB GLN 19 0.299 -2.616 -17.371
189 HB3 GLN 19 3HB GLN 19 1.194 -1.191 -17.883
190 HG2 GLN 19 2HG GLN 19 -0.437 -1.120 -19.858
191 HG3 GLN 19 3HG GLN 19 -1.416 -2.236 -18.907
192 HE21 GLN 19 1HE2 GLN 19 -2.926 -1.296 -17.754
193 HE22 GLN 19 2HE2 GLN 19 -2.864 0.294 -17.083
194 H ALA 20 H ALA 20 2.680 -3.236 -17.004
195 HA ALA 20 HA ALA 20 5.281 -2.490 -18.174
196 HB1 ALA 20 1HB ALA 20 3.882 -1.254 -16.022
197 HB2 ALA 20 2HB ALA 20 5.353 -1.998 -15.392
198 HB3 ALA 20 3HB ALA 20 5.450 -0.832 -16.712
Start of MODEL 13
1 H1 ARG 1 H ARG 1 2.569 -0.482 0.579
2 HA ARG 1 HA ARG 1 3.389 0.572 -1.756
3 HB2 ARG 1 2HB ARG 1 3.986 -1.744 -0.316
4 HB3 ARG 1 3HB ARG 1 3.614 -2.315 -1.937
5 HG2 ARG 1 2HG ARG 1 5.231 -0.263 -2.545
6 HG3 ARG 1 3HG ARG 1 5.883 -0.708 -0.966
7 HD2 ARG 1 2HD ARG 1 6.108 -3.033 -1.740
8 HD3 ARG 1 3HD ARG 1 5.504 -2.550 -3.325
9 HE ARG 1 HE ARG 1 8.153 -2.200 -2.317
10 HH11 ARG 1 1HH1 ARG 1 5.751 -0.850 -4.445
11 HH12 ARG 1 2HH1 ARG 1 6.909 -0.066 -5.468
12 HH21 ARG 1 1HH2 ARG 1 9.687 -1.173 -3.656
13 HH22 ARG 1 2HH2 ARG 1 9.148 -0.251 -5.019
14 H TRP 2 H TRP 2 3.425 -0.790 -3.945
15 HA TRP 2 HA TRP 2 0.697 -0.700 -4.900
16 HB2 TRP 2 2HB TRP 2 2.497 0.301 -6.235
17 HB3 TRP 2 3HB TRP 2 3.279 -1.271 -6.371
18 HD1 TRP 2 HD1 TRP 2 2.465 -2.858 -8.268
19 HE1 TRP 2 HE1 TRP 2 0.711 -2.662 -10.141
20 HE3 TRP 2 HE3 TRP 2 0.092 1.395 -6.714
21 HZ2 TRP 2 HZ2 TRP 2 -1.400 -0.933 -10.865
22 HZ3 TRP 2 HZ3 TRP 2 -1.785 2.254 -8.054
23 HH2 TRP 2 HH2 TRP 2 -2.513 1.113 -10.086
24 H LYS 3 H LYS 3 2.890 -3.074 -3.808
25 HA LYS 3 HA LYS 3 2.126 -5.308 -5.310
26 HB2 LYS 3 2HB LYS 3 3.143 -6.630 -3.623
27 HB3 LYS 3 3HB LYS 3 4.061 -5.132 -3.686
28 HG2 LYS 3 2HG LYS 3 2.883 -4.310 -1.721
29 HG3 LYS 3 3HG LYS 3 1.925 -5.792 -1.667
30 HD2 LYS 3 2HD LYS 3 4.518 -6.721 -1.744
31 HD3 LYS 3 3HD LYS 3 4.638 -5.280 -0.731
32 HE2 LYS 3 2HE LYS 3 4.184 -7.099 0.721
33 HE3 LYS 3 3HE LYS 3 2.688 -6.176 0.583
34 HZ1 LYS 3 1HZ LYS 3 2.530 -8.689 0.408
35 HZ2 LYS 3 2HZ LYS 3 3.221 -8.527 -1.128
36 HZ3 LYS 3 3HZ LYS 3 1.738 -7.789 -0.786
37 H ARG 4 H ARG 4 0.668 -3.805 -2.484
38 HA ARG 4 HA ARG 4 -1.252 -5.898 -2.078
39 HB2 ARG 4 2HB ARG 4 -0.641 -4.618 -0.163
40 HB3 ARG 4 3HB ARG 4 -0.986 -3.101 -0.983
41 HG2 ARG 4 2HG ARG 4 -3.159 -3.180 -0.469
42 HG3 ARG 4 3HG ARG 4 -3.278 -4.906 -0.821
43 HD2 ARG 4 2HD ARG 4 -2.077 -5.307 1.363
44 HD3 ARG 4 3HD ARG 4 -2.308 -3.594 1.709
45 HE ARG 4 HE ARG 4 -4.732 -4.986 1.029
46 HH11 ARG 4 1HH1 ARG 4 -2.545 -4.110 3.591
47 HH12 ARG 4 2HH1 ARG 4 -3.738 -4.261 4.838
48 HH21 ARG 4 1HH2 ARG 4 -6.312 -5.189 2.662
49 HH22 ARG 4 2HH2 ARG 4 -5.880 -4.876 4.309
50 H HIS 5 H HIS 5 -1.097 -2.957 -3.928
51 HA HIS 5 HA HIS 5 -3.948 -2.920 -4.455
52 HB2 HIS 5 2HB HIS 5 -1.693 -1.103 -4.846
53 HB3 HIS 5 3HB HIS 5 -2.778 -1.153 -6.233
54 HD1 HIS 5 HD1 HIS 5 -5.492 -1.305 -4.934
55 HD2 HIS 5 HD2 HIS 5 -2.439 1.120 -3.499
56 HE1 HIS 5 HE1 HIS 5 -6.634 0.499 -3.606
57 H ILE 6 H ILE 6 -1.138 -4.328 -5.787
58 HA ILE 6 HA ILE 6 -2.436 -4.753 -8.384
59 HB ILE 6 HB ILE 6 -0.097 -3.918 -8.381
60 HG12 ILE 6 2HG1 ILE 6 -0.940 -6.468 -9.662
61 HG13 ILE 6 3HG1 ILE 6 -0.523 -4.925 -10.398
62 HG21 ILE 6 1HG2 ILE 6 0.801 -6.629 -7.498
63 HG22 ILE 6 2HG2 ILE 6 1.693 -5.109 -7.526
64 HG23 ILE 6 3HG2 ILE 6 0.446 -5.377 -6.308
65 HD11 ILE 6 1HD1 ILE 6 1.868 -5.418 -9.806
66 HD12 ILE 6 2HD1 ILE 6 1.339 -7.045 -9.376
67 HD13 ILE 6 3HD1 ILE 6 1.147 -6.464 -11.030
68 H SER 7 H SER 7 -1.164 -6.446 -5.581
69 HA SER 7 HA SER 7 -1.155 -9.057 -6.445
70 HB2 SER 7 2HB SER 7 -1.690 -7.769 -3.801
71 HB3 SER 7 3HB SER 7 -1.992 -9.498 -3.971
72 HG SER 7 HG SER 7 0.139 -9.110 -3.292
73 H GLU 8 H GLU 8 -3.916 -7.190 -5.223
74 HA GLU 8 HA GLU 8 -5.755 -9.366 -5.635
75 HB2 GLU 8 2HB GLU 8 -6.271 -7.901 -3.836
76 HB3 GLU 8 3HB GLU 8 -6.105 -6.477 -4.853
77 HG2 GLU 8 2HG GLU 8 -8.226 -6.570 -5.496
78 HG3 GLU 8 3HG GLU 8 -8.125 -8.293 -5.855
79 H GLN 9 H GLN 9 -4.685 -6.556 -7.400
80 HA GLN 9 HA GLN 9 -6.817 -6.549 -9.299
81 HB2 GLN 9 2HB GLN 9 -5.430 -4.556 -8.803
82 HB3 GLN 9 3HB GLN 9 -4.048 -5.359 -9.537
83 HG2 GLN 9 2HG GLN 9 -4.708 -4.856 -11.604
84 HG3 GLN 9 3HG GLN 9 -6.387 -5.277 -11.271
85 HE21 GLN 9 1HE2 GLN 9 -7.500 -3.585 -11.990
86 HE22 GLN 9 2HE2 GLN 9 -7.245 -1.945 -11.513
87 H LEU 10 H LEU 10 -3.368 -7.405 -9.652
88 HA LEU 10 HA LEU 10 -3.488 -8.498 -12.182
89 HB2 LEU 10 2HB LEU 10 -1.452 -9.660 -11.660
90 HB3 LEU 10 3HB LEU 10 -1.418 -8.060 -10.921
91 HG LEU 10 HG LEU 10 -2.313 -9.466 -8.831
92 HD11 LEU 10 1HD1 LEU 10 -0.357 -11.465 -9.551
93 HD12 LEU 10 2HD1 LEU 10 -1.736 -11.485 -10.649
94 HD13 LEU 10 3HD1 LEU 10 -1.990 -11.662 -8.913
95 HD21 LEU 10 1HD2 LEU 10 0.132 -9.685 -8.178
96 HD22 LEU 10 2HD2 LEU 10 -0.429 -8.073 -8.624
97 HD23 LEU 10 3HD2 LEU 10 0.508 -9.030 -9.772
98 H ARG 11 H ARG 11 -4.665 -9.790 -9.205
99 HA ARG 11 HA ARG 11 -4.716 -12.529 -9.869
100 HB2 ARG 11 2HB ARG 11 -5.122 -11.363 -7.591
101 HB3 ARG 11 3HB ARG 11 -6.789 -11.221 -8.132
102 HG2 ARG 11 2HG ARG 11 -6.254 -13.856 -8.613
103 HG3 ARG 11 3HG ARG 11 -5.325 -13.542 -7.146
104 HD2 ARG 11 2HD ARG 11 -7.678 -12.291 -6.585
105 HD3 ARG 11 3HD ARG 11 -8.226 -13.653 -7.561
106 HE ARG 11 HE ARG 11 -6.547 -14.807 -5.784
107 HH11 ARG 11 1HH1 ARG 11 -9.269 -12.661 -5.456
108 HH12 ARG 11 2HH1 ARG 11 -9.734 -13.278 -3.905
109 HH21 ARG 11 1HH2 ARG 11 -7.150 -15.628 -3.743
110 HH22 ARG 11 2HH2 ARG 11 -8.528 -14.965 -2.932
111 H ARG 12 H ARG 12 -7.339 -10.110 -9.978
112 HA ARG 12 HA ARG 12 -9.002 -11.889 -11.534
113 HB2 ARG 12 2HB ARG 12 -9.492 -8.987 -10.852
114 HB3 ARG 12 3HB ARG 12 -10.683 -10.167 -11.386
115 HG2 ARG 12 2HG ARG 12 -9.873 -11.443 -9.223
116 HG3 ARG 12 3HG ARG 12 -9.421 -9.811 -8.725
117 HD2 ARG 12 2HD ARG 12 -11.561 -9.824 -7.959
118 HD3 ARG 12 3HD ARG 12 -11.871 -9.284 -9.608
119 HE ARG 12 HE ARG 12 -12.939 -11.266 -10.020
120 HH11 ARG 12 1HH1 ARG 12 -11.069 -11.561 -7.099
121 HH12 ARG 12 2HH1 ARG 12 -11.721 -13.112 -6.683
122 HH21 ARG 12 1HH2 ARG 12 -13.805 -13.307 -9.483
123 HH22 ARG 12 2HH2 ARG 12 -13.277 -14.104 -8.040
124 H ARG 13 H ARG 13 -7.325 -8.801 -12.042
125 HA ARG 13 HA ARG 13 -7.602 -9.233 -14.944
126 HB2 ARG 13 2HB ARG 13 -8.260 -6.929 -13.314
127 HB3 ARG 13 3HB ARG 13 -7.086 -6.514 -14.555
128 HG2 ARG 13 2HG ARG 13 -8.786 -6.303 -15.958
129 HG3 ARG 13 3HG ARG 13 -8.980 -8.056 -15.876
130 HD2 ARG 13 2HD ARG 13 -10.681 -7.920 -14.303
131 HD3 ARG 13 3HD ARG 13 -10.213 -6.299 -13.793
132 HE ARG 13 HE ARG 13 -12.009 -6.981 -15.902
133 HH11 ARG 13 1HH1 ARG 13 -9.670 -4.621 -14.863
134 HH12 ARG 13 2HH1 ARG 13 -10.369 -3.331 -15.786
135 HH21 ARG 13 1HH2 ARG 13 -12.938 -5.292 -17.121
136 HH22 ARG 13 2HH2 ARG 13 -12.228 -3.714 -17.069
137 H ASP 14 H ASP 14 -5.611 -10.393 -14.923
138 HA ASP 14 HA ASP 14 -3.191 -9.440 -13.900
139 HB2 ASP 14 2HB ASP 14 -2.119 -11.093 -15.244
140 HB3 ASP 14 3HB ASP 14 -3.672 -11.768 -14.760
141 H ARG 15 H ARG 15 -5.039 -8.319 -16.519
142 HA ARG 15 HA ARG 15 -3.332 -7.449 -18.435
143 HB2 ARG 15 2HB ARG 15 -5.501 -5.735 -17.211
144 HB3 ARG 15 3HB ARG 15 -4.830 -5.576 -18.829
145 HG2 ARG 15 2HG ARG 15 -5.722 -8.226 -18.617
146 HG3 ARG 15 3HG ARG 15 -6.987 -7.216 -17.913
147 HD2 ARG 15 2HD ARG 15 -7.656 -7.004 -20.052
148 HD3 ARG 15 3HD ARG 15 -6.386 -5.783 -20.120
149 HE ARG 15 HE ARG 15 -5.411 -8.396 -20.733
150 HH11 ARG 15 1HH1 ARG 15 -7.088 -5.639 -22.041
151 HH12 ARG 15 2HH1 ARG 15 -6.617 -5.964 -23.676
152 HH21 ARG 15 1HH2 ARG 15 -4.784 -8.834 -22.882
153 HH22 ARG 15 2HH2 ARG 15 -5.307 -7.782 -24.154
154 H LEU 16 H LEU 16 -3.758 -6.042 -15.230
155 HA LEU 16 HA LEU 16 -2.119 -3.770 -15.658
156 HB2 LEU 16 2HB LEU 16 -3.452 -3.479 -13.832
157 HB3 LEU 16 3HB LEU 16 -3.294 -5.156 -13.314
158 HG LEU 16 HG LEU 16 -1.063 -4.675 -12.432
159 HD11 LEU 16 1HD1 LEU 16 -0.630 -2.813 -14.090
160 HD12 LEU 16 2HD1 LEU 16 -0.102 -2.524 -12.433
161 HD13 LEU 16 3HD1 LEU 16 -1.583 -1.775 -13.029
162 HD21 LEU 16 1HD2 LEU 16 -3.274 -2.858 -11.485
163 HD22 LEU 16 2HD2 LEU 16 -1.775 -3.138 -10.598
164 HD23 LEU 16 3HD2 LEU 16 -2.885 -4.475 -10.897
165 H GLN 17 H GLN 17 -1.478 -6.855 -13.990
166 HA GLN 17 HA GLN 17 1.162 -6.454 -13.315
167 HB2 GLN 17 2HB GLN 17 0.036 -8.400 -12.516
168 HB3 GLN 17 3HB GLN 17 -0.275 -8.971 -14.150
169 HG2 GLN 17 2HG GLN 17 1.997 -9.529 -14.488
170 HG3 GLN 17 3HG GLN 17 2.494 -8.674 -13.028
171 HE21 GLN 17 1HE2 GLN 17 3.537 -10.818 -12.689
172 HE22 GLN 17 2HE2 GLN 17 2.621 -12.029 -11.865
173 H ARG 18 H ARG 18 -0.198 -7.376 -16.422
174 HA ARG 18 HA ARG 18 2.417 -7.765 -17.608
175 HB2 ARG 18 2HB ARG 18 0.665 -9.216 -18.379
176 HB3 ARG 18 3HB ARG 18 -0.377 -7.848 -18.747
177 HG2 ARG 18 2HG ARG 18 1.155 -7.153 -20.518
178 HG3 ARG 18 3HG ARG 18 2.202 -8.524 -20.147
179 HD2 ARG 18 2HD ARG 18 0.719 -10.062 -21.007
180 HD3 ARG 18 3HD ARG 18 -0.675 -9.013 -20.755
181 HE ARG 18 HE ARG 18 1.119 -7.944 -22.693
182 HH11 ARG 18 1HH1 ARG 18 -1.404 -10.294 -22.213
183 HH12 ARG 18 2HH1 ARG 18 -1.902 -10.292 -23.872
184 HH21 ARG 18 1HH2 ARG 18 0.473 -7.932 -24.881
185 HH22 ARG 18 2HH2 ARG 18 -0.833 -8.949 -25.389
186 H GLN 19 H GLN 19 0.085 -5.245 -17.253
187 HA GLN 19 HA GLN 19 0.623 -3.630 -19.446
188 HB2 GLN 19 2HB GLN 19 -1.143 -3.313 -17.635
189 HB3 GLN 19 3HB GLN 19 0.122 -2.563 -16.672
190 HG2 GLN 19 2HG GLN 19 0.403 -1.147 -18.918
191 HG3 GLN 19 3HG GLN 19 -1.307 -1.555 -19.048
192 HE21 GLN 19 1HE2 GLN 19 -2.603 -1.135 -17.050
193 HE22 GLN 19 2HE2 GLN 19 -2.257 0.314 -16.175
194 H ALA 20 H ALA 20 2.008 -3.182 -16.186
195 HA ALA 20 HA ALA 20 4.126 -1.535 -17.235
196 HB1 ALA 20 1HB ALA 20 4.912 -1.569 -14.835
197 HB2 ALA 20 2HB ALA 20 3.300 -0.905 -15.111
198 HB3 ALA 20 3HB ALA 20 3.484 -2.539 -14.474
Start of MODEL 14
1 H1 ARG 1 H ARG 1 5.305 -2.215 -2.588
2 HA ARG 1 HA ARG 1 3.129 -1.047 -1.008
3 HB2 ARG 1 2HB ARG 1 4.903 0.046 -3.183
4 HB3 ARG 1 3HB ARG 1 3.452 0.888 -2.655
5 HG2 ARG 1 2HG ARG 1 4.877 0.248 -0.324
6 HG3 ARG 1 3HG ARG 1 6.059 0.860 -1.482
7 HD2 ARG 1 2HD ARG 1 4.218 2.702 -1.873
8 HD3 ARG 1 3HD ARG 1 3.711 2.221 -0.255
9 HE ARG 1 HE ARG 1 6.067 3.705 -0.963
10 HH11 ARG 1 1HH1 ARG 1 4.606 1.615 1.407
11 HH12 ARG 1 2HH1 ARG 1 5.608 2.172 2.706
12 HH21 ARG 1 1HH2 ARG 1 7.392 4.446 0.739
13 HH22 ARG 1 2HH2 ARG 1 7.192 3.783 2.325
14 H TRP 2 H TRP 2 3.813 -1.263 -4.501
15 HA TRP 2 HA TRP 2 1.051 -1.247 -5.187
16 HB2 TRP 2 2HB TRP 2 2.798 -0.387 -6.698
17 HB3 TRP 2 3HB TRP 2 3.446 -2.016 -6.870
18 HD1 TRP 2 HD1 TRP 2 2.467 -3.452 -8.774
19 HE1 TRP 2 HE1 TRP 2 0.509 -3.199 -10.426
20 HE3 TRP 2 HE3 TRP 2 0.267 0.716 -6.793
21 HZ2 TRP 2 HZ2 TRP 2 -1.677 -1.462 -10.835
22 HZ3 TRP 2 HZ3 TRP 2 -1.754 1.610 -7.875
23 HH2 TRP 2 HH2 TRP 2 -2.704 0.542 -9.855
24 H LYS 3 H LYS 3 3.207 -3.700 -4.205
25 HA LYS 3 HA LYS 3 2.228 -5.937 -5.559
26 HB2 LYS 3 2HB LYS 3 3.276 -7.256 -3.882
27 HB3 LYS 3 3HB LYS 3 4.271 -5.818 -4.077
28 HG2 LYS 3 2HG LYS 3 3.275 -4.844 -2.078
29 HG3 LYS 3 3HG LYS 3 2.253 -6.271 -1.886
30 HD2 LYS 3 2HD LYS 3 4.956 -7.125 -2.158
31 HD3 LYS 3 3HD LYS 3 4.893 -5.850 -0.939
32 HE2 LYS 3 2HE LYS 3 3.474 -7.058 0.435
33 HE3 LYS 3 3HE LYS 3 2.888 -8.067 -0.887
34 HZ1 LYS 3 1HZ LYS 3 4.379 -9.248 0.653
35 HZ2 LYS 3 2HZ LYS 3 5.635 -8.196 0.233
36 HZ3 LYS 3 3HZ LYS 3 4.970 -9.227 -0.932
37 H ARG 4 H ARG 4 1.038 -4.275 -2.695
38 HA ARG 4 HA ARG 4 -0.959 -6.250 -2.104
39 HB2 ARG 4 2HB ARG 4 -0.153 -4.962 -0.269
40 HB3 ARG 4 3HB ARG 4 -0.469 -3.448 -1.106
41 HG2 ARG 4 2HG ARG 4 -2.617 -3.402 -0.474
42 HG3 ARG 4 3HG ARG 4 -2.831 -5.136 -0.725
43 HD2 ARG 4 2HD ARG 4 -1.731 -5.601 1.389
44 HD3 ARG 4 3HD ARG 4 -1.424 -3.882 1.629
45 HE ARG 4 HE ARG 4 -4.131 -4.053 1.344
46 HH11 ARG 4 1HH1 ARG 4 -1.782 -5.547 3.434
47 HH12 ARG 4 2HH1 ARG 4 -2.882 -5.723 4.761
48 HH21 ARG 4 1HH2 ARG 4 -5.589 -4.279 3.083
49 HH22 ARG 4 2HH2 ARG 4 -5.047 -5.002 4.560
50 H HIS 5 H HIS 5 -0.777 -3.347 -4.019
51 HA HIS 5 HA HIS 5 -3.648 -3.174 -4.367
52 HB2 HIS 5 2HB HIS 5 -1.421 -1.423 -4.742
53 HB3 HIS 5 3HB HIS 5 -2.283 -1.562 -6.272
54 HD1 HIS 5 HD1 HIS 5 -3.109 -0.847 -2.626
55 HD2 HIS 5 HD2 HIS 5 -4.396 0.115 -6.457
56 HE1 HIS 5 HE1 HIS 5 -4.938 0.852 -2.315
57 H ILE 6 H ILE 6 -1.026 -4.785 -5.827
58 HA ILE 6 HA ILE 6 -2.519 -5.193 -8.323
59 HB ILE 6 HB ILE 6 -0.147 -4.453 -8.497
60 HG12 ILE 6 2HG1 ILE 6 -1.205 -6.966 -9.689
61 HG13 ILE 6 3HG1 ILE 6 -0.775 -5.448 -10.468
62 HG21 ILE 6 1HG2 ILE 6 0.483 -5.927 -6.460
63 HG22 ILE 6 2HG2 ILE 6 0.684 -7.201 -7.662
64 HG23 ILE 6 3HG2 ILE 6 1.645 -5.726 -7.772
65 HD11 ILE 6 1HD1 ILE 6 1.627 -6.046 -10.066
66 HD12 ILE 6 2HD1 ILE 6 1.064 -7.643 -9.570
67 HD13 ILE 6 3HD1 ILE 6 0.765 -7.073 -11.212
68 H SER 7 H SER 7 -1.132 -6.863 -5.567
69 HA SER 7 HA SER 7 -1.248 -9.492 -6.338
70 HB2 SER 7 2HB SER 7 -1.614 -8.096 -3.728
71 HB3 SER 7 3HB SER 7 -2.035 -9.807 -3.813
72 HG SER 7 HG SER 7 0.451 -8.751 -4.675
73 H GLU 8 H GLU 8 -3.908 -7.502 -5.092
74 HA GLU 8 HA GLU 8 -5.826 -9.631 -5.350
75 HB2 GLU 8 2HB GLU 8 -6.131 -7.978 -3.605
76 HB3 GLU 8 3HB GLU 8 -6.161 -6.681 -4.791
77 HG2 GLU 8 2HG GLU 8 -8.161 -8.418 -5.614
78 HG3 GLU 8 3HG GLU 8 -8.297 -8.381 -3.857
79 H GLN 9 H GLN 9 -4.781 -6.886 -7.250
80 HA GLN 9 HA GLN 9 -6.956 -6.923 -9.088
81 HB2 GLN 9 2HB GLN 9 -5.413 -4.976 -8.674
82 HB3 GLN 9 3HB GLN 9 -4.176 -5.847 -9.571
83 HG2 GLN 9 2HG GLN 9 -4.961 -4.975 -11.440
84 HG3 GLN 9 3HG GLN 9 -6.473 -5.844 -11.186
85 HE21 GLN 9 1HE2 GLN 9 -4.985 -2.829 -11.379
86 HE22 GLN 9 2HE2 GLN 9 -6.316 -1.858 -10.863
87 H LEU 10 H LEU 10 -3.547 -7.902 -9.501
88 HA LEU 10 HA LEU 10 -3.764 -9.087 -11.980
89 HB2 LEU 10 2HB LEU 10 -1.769 -10.330 -11.439
90 HB3 LEU 10 3HB LEU 10 -1.648 -8.688 -10.811
91 HG LEU 10 HG LEU 10 -2.560 -9.935 -8.616
92 HD11 LEU 10 1HD1 LEU 10 -2.169 -12.080 -10.255
93 HD12 LEU 10 2HD1 LEU 10 -2.165 -12.132 -8.493
94 HD13 LEU 10 3HD1 LEU 10 -0.643 -12.007 -9.374
95 HD21 LEU 10 1HD2 LEU 10 0.290 -9.726 -9.575
96 HD22 LEU 10 2HD2 LEU 10 -0.174 -10.082 -7.911
97 HD23 LEU 10 3HD2 LEU 10 -0.616 -8.537 -8.639
98 H ARG 11 H ARG 11 -4.892 -10.238 -8.920
99 HA ARG 11 HA ARG 11 -5.072 -12.989 -9.491
100 HB2 ARG 11 2HB ARG 11 -5.383 -11.699 -7.248
101 HB3 ARG 11 3HB ARG 11 -7.064 -11.576 -7.749
102 HG2 ARG 11 2HG ARG 11 -6.779 -14.178 -8.101
103 HG3 ARG 11 3HG ARG 11 -5.502 -13.951 -6.904
104 HD2 ARG 11 2HD ARG 11 -8.240 -12.820 -6.462
105 HD3 ARG 11 3HD ARG 11 -7.895 -14.510 -6.099
106 HE ARG 11 HE ARG 11 -5.953 -12.857 -4.896
107 HH11 ARG 11 1HH1 ARG 11 -9.299 -13.771 -4.604
108 HH12 ARG 11 2HH1 ARG 11 -9.363 -13.487 -2.897
109 HH21 ARG 11 1HH2 ARG 11 -6.025 -12.479 -2.647
110 HH22 ARG 11 2HH2 ARG 11 -7.501 -12.752 -1.784
111 H ARG 12 H ARG 12 -7.603 -10.476 -9.613
112 HA ARG 12 HA ARG 12 -9.399 -12.233 -11.027
113 HB2 ARG 12 2HB ARG 12 -9.695 -9.269 -10.525
114 HB3 ARG 12 3HB ARG 12 -10.969 -10.405 -10.949
115 HG2 ARG 12 2HG ARG 12 -10.167 -11.586 -8.727
116 HG3 ARG 12 3HG ARG 12 -9.614 -9.953 -8.350
117 HD2 ARG 12 2HD ARG 12 -12.383 -10.367 -9.384
118 HD3 ARG 12 3HD ARG 12 -12.027 -10.726 -7.695
119 HE ARG 12 HE ARG 12 -11.040 -8.170 -8.356
120 HH11 ARG 12 1HH1 ARG 12 -14.030 -9.865 -7.803
121 HH12 ARG 12 2HH1 ARG 12 -14.880 -8.457 -7.258
122 HH21 ARG 12 1HH2 ARG 12 -12.148 -6.308 -7.641
123 HH22 ARG 12 2HH2 ARG 12 -13.808 -6.434 -7.167
124 H ARG 13 H ARG 13 -7.592 -9.268 -11.782
125 HA ARG 13 HA ARG 13 -7.944 -9.896 -14.640
126 HB2 ARG 13 2HB ARG 13 -8.509 -7.462 -13.174
127 HB3 ARG 13 3HB ARG 13 -7.338 -7.171 -14.453
128 HG2 ARG 13 2HG ARG 13 -9.106 -8.596 -15.844
129 HG3 ARG 13 3HG ARG 13 -10.191 -7.924 -14.625
130 HD2 ARG 13 2HD ARG 13 -8.303 -6.008 -15.810
131 HD3 ARG 13 3HD ARG 13 -9.494 -6.671 -16.928
132 HE ARG 13 HE ARG 13 -10.661 -5.762 -14.479
133 HH11 ARG 13 1HH1 ARG 13 -9.514 -4.760 -17.610
134 HH12 ARG 13 2HH1 ARG 13 -10.526 -3.356 -17.675
135 HH21 ARG 13 1HH2 ARG 13 -11.998 -3.916 -14.554
136 HH22 ARG 13 2HH2 ARG 13 -11.938 -2.876 -15.937
137 H ASP 14 H ASP 14 -5.984 -11.118 -14.543
138 HA ASP 14 HA ASP 14 -3.518 -9.995 -13.703
139 HB2 ASP 14 2HB ASP 14 -2.533 -11.911 -15.050
140 HB3 ASP 14 3HB ASP 14 -3.655 -12.365 -13.770
141 H ARG 15 H ARG 15 -5.444 -9.292 -16.326
142 HA ARG 15 HA ARG 15 -3.752 -9.007 -18.486
143 HB2 ARG 15 2HB ARG 15 -6.113 -8.609 -18.719
144 HB3 ARG 15 3HB ARG 15 -6.046 -7.256 -17.598
145 HG2 ARG 15 2HG ARG 15 -4.740 -5.969 -19.173
146 HG3 ARG 15 3HG ARG 15 -4.688 -7.339 -20.283
147 HD2 ARG 15 2HD ARG 15 -7.199 -7.251 -20.344
148 HD3 ARG 15 3HD ARG 15 -7.096 -5.736 -19.447
149 HE ARG 15 HE ARG 15 -6.582 -6.127 -22.235
150 HH11 ARG 15 1HH1 ARG 15 -5.785 -4.186 -19.457
151 HH12 ARG 15 2HH1 ARG 15 -5.333 -2.799 -20.392
152 HH21 ARG 15 1HH2 ARG 15 -5.990 -4.308 -23.477
153 HH22 ARG 15 2HH2 ARG 15 -5.451 -2.869 -22.679
154 H LEU 16 H LEU 16 -4.013 -7.031 -15.613
155 HA LEU 16 HA LEU 16 -2.687 -4.734 -16.449
156 HB2 LEU 16 2HB LEU 16 -2.684 -4.130 -14.272
157 HB3 LEU 16 3HB LEU 16 -3.814 -5.478 -14.157
158 HG LEU 16 HG LEU 16 -1.545 -6.799 -13.666
159 HD11 LEU 16 1HD1 LEU 16 -0.495 -4.340 -13.851
160 HD12 LEU 16 2HD1 LEU 16 0.162 -5.599 -12.807
161 HD13 LEU 16 3HD1 LEU 16 -0.899 -4.361 -12.134
162 HD21 LEU 16 1HD2 LEU 16 -3.716 -6.373 -12.286
163 HD22 LEU 16 2HD2 LEU 16 -2.708 -5.215 -11.418
164 HD23 LEU 16 3HD2 LEU 16 -2.248 -6.917 -11.475
165 H GLN 17 H GLN 17 -1.469 -7.902 -15.809
166 HA GLN 17 HA GLN 17 1.178 -7.433 -15.170
167 HB2 GLN 17 2HB GLN 17 0.048 -9.666 -15.282
168 HB3 GLN 17 3HB GLN 17 0.195 -9.599 -17.033
169 HG2 GLN 17 2HG GLN 17 2.360 -10.156 -17.000
170 HG3 GLN 17 3HG GLN 17 2.702 -9.148 -15.595
171 HE21 GLN 17 1HE2 GLN 17 1.824 -12.288 -16.724
172 HE22 GLN 17 2HE2 GLN 17 1.964 -13.107 -15.209
173 H ARG 18 H ARG 18 -0.440 -7.172 -18.264
174 HA ARG 18 HA ARG 18 2.004 -6.867 -19.758
175 HB2 ARG 18 2HB ARG 18 -0.863 -6.332 -20.559
176 HB3 ARG 18 3HB ARG 18 0.514 -6.358 -21.653
177 HG2 ARG 18 2HG ARG 18 -0.068 -8.754 -19.978
178 HG3 ARG 18 3HG ARG 18 -1.032 -8.440 -21.422
179 HD2 ARG 18 2HD ARG 18 1.478 -8.062 -22.378
180 HD3 ARG 18 3HD ARG 18 1.765 -9.305 -21.161
181 HE ARG 18 HE ARG 18 -0.421 -10.139 -22.634
182 HH11 ARG 18 1HH1 ARG 18 2.935 -9.417 -23.211
183 HH12 ARG 18 2HH1 ARG 18 3.086 -10.542 -24.521
184 HH21 ARG 18 1HH2 ARG 18 -0.235 -11.623 -24.356
185 HH22 ARG 18 2HH2 ARG 18 1.282 -11.795 -25.172
186 H GLN 19 H GLN 19 -0.523 -4.747 -18.492
187 HA GLN 19 HA GLN 19 0.408 -2.364 -19.684
188 HB2 GLN 19 2HB GLN 19 -1.830 -2.982 -18.374
189 HB3 GLN 19 3HB GLN 19 -0.948 -2.255 -17.037
190 HG2 GLN 19 2HG GLN 19 -1.112 -0.796 -19.626
191 HG3 GLN 19 3HG GLN 19 -2.512 -0.818 -18.556
192 HE21 GLN 19 1HE2 GLN 19 0.201 0.845 -19.355
193 HE22 GLN 19 2HE2 GLN 19 0.439 1.736 -17.894
194 H ALA 20 H ALA 20 1.294 -4.071 -16.767
195 HA ALA 20 HA ALA 20 3.549 -2.241 -16.428
196 HB1 ALA 20 1HB ALA 20 1.349 -2.638 -14.493
197 HB2 ALA 20 2HB ALA 20 2.986 -2.595 -13.838
198 HB3 ALA 20 3HB ALA 20 2.374 -1.232 -14.776
Start of MODEL 15
1 H1 ARG 1 H ARG 1 4.884 -0.920 -1.086
2 HA ARG 1 HA ARG 1 2.278 -0.964 -0.749
3 HB2 ARG 1 2HB ARG 1 3.855 1.078 -1.047
4 HB3 ARG 1 3HB ARG 1 3.280 1.078 -2.709
5 HG2 ARG 1 2HG ARG 1 0.932 1.139 -1.724
6 HG3 ARG 1 3HG ARG 1 1.717 1.539 -0.194
7 HD2 ARG 1 2HD ARG 1 1.470 3.657 -0.922
8 HD3 ARG 1 3HD ARG 1 2.936 3.297 -1.833
9 HE ARG 1 HE ARG 1 0.631 2.561 -3.307
10 HH11 ARG 1 1HH1 ARG 1 2.488 5.327 -2.298
11 HH12 ARG 1 2HH1 ARG 1 2.016 6.301 -3.651
12 HH21 ARG 1 1HH2 ARG 1 0.003 3.833 -5.094
13 HH22 ARG 1 2HH2 ARG 1 0.602 5.450 -5.240
14 H TRP 2 H TRP 2 3.691 -0.894 -4.014
15 HA TRP 2 HA TRP 2 1.269 -1.020 -5.425
16 HB2 TRP 2 2HB TRP 2 3.288 -0.388 -6.571
17 HB3 TRP 2 3HB TRP 2 4.051 -1.927 -6.180
18 HD1 TRP 2 HD1 TRP 2 3.100 -4.119 -7.510
19 HE1 TRP 2 HE1 TRP 2 2.037 -4.309 -9.847
20 HE3 TRP 2 HE3 TRP 2 1.851 0.785 -8.234
21 HZ2 TRP 2 HZ2 TRP 2 0.830 -2.605 -11.746
22 HZ3 TRP 2 HZ3 TRP 2 0.746 1.422 -10.338
23 HH2 TRP 2 HH2 TRP 2 0.247 -0.239 -12.057
24 H LYS 3 H LYS 3 3.092 -3.449 -3.768
25 HA LYS 3 HA LYS 3 2.174 -5.752 -5.076
26 HB2 LYS 3 2HB LYS 3 2.934 -6.971 -3.181
27 HB3 LYS 3 3HB LYS 3 4.028 -5.606 -3.365
28 HG2 LYS 3 2HG LYS 3 2.865 -4.416 -1.588
29 HG3 LYS 3 3HG LYS 3 1.737 -5.763 -1.415
30 HD2 LYS 3 2HD LYS 3 4.653 -6.325 -1.213
31 HD3 LYS 3 3HD LYS 3 3.858 -5.524 0.144
32 HE2 LYS 3 2HE LYS 3 2.528 -7.912 -1.008
33 HE3 LYS 3 3HE LYS 3 4.002 -8.176 -0.078
34 HZ1 LYS 3 1HZ LYS 3 2.557 -8.210 1.627
35 HZ2 LYS 3 2HZ LYS 3 1.378 -7.310 0.813
36 HZ3 LYS 3 3HZ LYS 3 2.690 -6.525 1.539
37 H ARG 4 H ARG 4 0.745 -3.788 -2.532
38 HA ARG 4 HA ARG 4 -1.417 -5.605 -2.027
39 HB2 ARG 4 2HB ARG 4 -0.769 -4.186 -0.226
40 HB3 ARG 4 3HB ARG 4 -0.896 -2.746 -1.227
41 HG2 ARG 4 2HG ARG 4 -3.094 -2.540 -0.867
42 HG3 ARG 4 3HG ARG 4 -3.380 -4.276 -1.009
43 HD2 ARG 4 2HD ARG 4 -1.881 -3.521 1.383
44 HD3 ARG 4 3HD ARG 4 -3.497 -2.820 1.311
45 HE ARG 4 HE ARG 4 -3.776 -5.497 0.678
46 HH11 ARG 4 1HH1 ARG 4 -2.677 -3.604 3.386
47 HH12 ARG 4 2HH1 ARG 4 -3.145 -4.782 4.566
48 HH21 ARG 4 1HH2 ARG 4 -4.396 -7.056 2.223
49 HH22 ARG 4 2HH2 ARG 4 -4.122 -6.746 3.904
50 H HIS 5 H HIS 5 -0.818 -2.977 -4.208
51 HA HIS 5 HA HIS 5 -3.616 -2.662 -4.904
52 HB2 HIS 5 2HB HIS 5 -1.077 -1.278 -5.578
53 HB3 HIS 5 3HB HIS 5 -2.357 -1.219 -6.786
54 HD1 HIS 5 HD1 HIS 5 -2.322 1.406 -6.219
55 HD2 HIS 5 HD2 HIS 5 -3.734 -1.100 -3.220
56 HE1 HIS 5 HE1 HIS 5 -3.563 2.900 -4.622
57 H ILE 6 H ILE 6 -0.969 -4.583 -5.859
58 HA ILE 6 HA ILE 6 -2.215 -5.199 -8.448
59 HB ILE 6 HB ILE 6 0.172 -4.600 -8.522
60 HG12 ILE 6 2HG1 ILE 6 0.847 -6.350 -9.980
61 HG13 ILE 6 3HG1 ILE 6 -0.118 -7.543 -9.117
62 HG21 ILE 6 1HG2 ILE 6 0.921 -7.154 -7.197
63 HG22 ILE 6 2HG2 ILE 6 1.821 -5.644 -7.333
64 HG23 ILE 6 3HG2 ILE 6 0.490 -5.777 -6.184
65 HD11 ILE 6 1HD1 ILE 6 -2.148 -6.575 -9.947
66 HD12 ILE 6 2HD1 ILE 6 -1.255 -5.249 -10.693
67 HD13 ILE 6 3HD1 ILE 6 -1.063 -6.894 -11.299
68 H SER 7 H SER 7 -1.206 -6.601 -5.394
69 HA SER 7 HA SER 7 -1.420 -9.298 -5.905
70 HB2 SER 7 2HB SER 7 -0.656 -8.681 -3.758
71 HB3 SER 7 3HB SER 7 -2.075 -7.682 -3.447
72 HG SER 7 HG SER 7 -1.817 -10.480 -3.386
73 H GLU 8 H GLU 8 -4.000 -6.979 -5.244
74 HA GLU 8 HA GLU 8 -6.058 -8.994 -5.296
75 HB2 GLU 8 2HB GLU 8 -6.487 -7.123 -3.896
76 HB3 GLU 8 3HB GLU 8 -6.104 -5.984 -5.179
77 HG2 GLU 8 2HG GLU 8 -8.195 -5.971 -5.908
78 HG3 GLU 8 3HG GLU 8 -8.265 -7.732 -5.948
79 H GLN 9 H GLN 9 -4.676 -6.670 -7.527
80 HA GLN 9 HA GLN 9 -6.686 -6.966 -9.532
81 HB2 GLN 9 2HB GLN 9 -4.681 -5.173 -9.104
82 HB3 GLN 9 3HB GLN 9 -3.993 -6.142 -10.400
83 HG2 GLN 9 2HG GLN 9 -5.243 -5.112 -11.901
84 HG3 GLN 9 3HG GLN 9 -6.713 -5.517 -11.016
85 HE21 GLN 9 1HE2 GLN 9 -4.877 -3.040 -12.167
86 HE22 GLN 9 2HE2 GLN 9 -5.454 -1.762 -11.159
87 H LEU 10 H LEU 10 -3.288 -8.055 -9.411
88 HA LEU 10 HA LEU 10 -3.273 -9.610 -11.687
89 HB2 LEU 10 2HB LEU 10 -1.384 -10.757 -10.770
90 HB3 LEU 10 3HB LEU 10 -1.301 -9.061 -10.300
91 HG LEU 10 HG LEU 10 -2.443 -9.968 -8.100
92 HD11 LEU 10 1HD1 LEU 10 -0.785 -12.312 -8.251
93 HD12 LEU 10 2HD1 LEU 10 -2.031 -12.351 -9.498
94 HD13 LEU 10 3HD1 LEU 10 -2.484 -12.165 -7.804
95 HD21 LEU 10 1HD2 LEU 10 0.043 -10.582 -7.398
96 HD22 LEU 10 2HD2 LEU 10 -0.461 -8.922 -7.715
97 HD23 LEU 10 3HD2 LEU 10 0.394 -9.837 -8.958
98 H ARG 11 H ARG 11 -4.836 -10.215 -8.676
99 HA ARG 11 HA ARG 11 -5.113 -13.054 -9.046
100 HB2 ARG 11 2HB ARG 11 -5.108 -12.273 -6.794
101 HB3 ARG 11 3HB ARG 11 -6.364 -11.090 -7.131
102 HG2 ARG 11 2HG ARG 11 -7.986 -12.554 -6.728
103 HG3 ARG 11 3HG ARG 11 -7.222 -13.795 -7.724
104 HD2 ARG 11 2HD ARG 11 -5.872 -14.537 -5.931
105 HD3 ARG 11 3HD ARG 11 -6.255 -13.116 -4.959
106 HE ARG 11 HE ARG 11 -8.119 -14.199 -4.220
107 HH11 ARG 11 1HH1 ARG 11 -7.077 -15.686 -7.191
108 HH12 ARG 11 2HH1 ARG 11 -8.253 -16.956 -7.120
109 HH21 ARG 11 1HH2 ARG 11 -9.672 -15.866 -4.115
110 HH22 ARG 11 2HH2 ARG 11 -9.729 -17.057 -5.370
111 H ARG 12 H ARG 12 -7.106 -10.193 -9.583
112 HA ARG 12 HA ARG 12 -9.272 -11.854 -10.631
113 HB2 ARG 12 2HB ARG 12 -9.101 -8.891 -10.061
114 HB3 ARG 12 3HB ARG 12 -10.508 -9.677 -10.765
115 HG2 ARG 12 2HG ARG 12 -10.046 -11.187 -8.527
116 HG3 ARG 12 3HG ARG 12 -9.617 -9.560 -7.996
117 HD2 ARG 12 2HD ARG 12 -11.942 -9.902 -7.548
118 HD3 ARG 12 3HD ARG 12 -11.802 -8.766 -8.888
119 HE ARG 12 HE ARG 12 -12.806 -10.305 -10.263
120 HH11 ARG 12 1HH1 ARG 12 -11.871 -11.842 -7.282
121 HH12 ARG 12 2HH1 ARG 12 -12.722 -13.313 -7.622
122 HH21 ARG 12 1HH2 ARG 12 -13.930 -12.237 -10.722
123 HH22 ARG 12 2HH2 ARG 12 -13.891 -13.537 -9.579
124 H ARG 13 H ARG 13 -7.777 -8.788 -11.679
125 HA ARG 13 HA ARG 13 -7.845 -9.819 -14.440
126 HB2 ARG 13 2HB ARG 13 -8.165 -7.478 -15.180
127 HB3 ARG 13 3HB ARG 13 -9.493 -8.064 -14.186
128 HG2 ARG 13 2HG ARG 13 -7.507 -6.813 -12.536
129 HG3 ARG 13 3HG ARG 13 -7.996 -5.729 -13.841
130 HD2 ARG 13 2HD ARG 13 -9.823 -7.123 -11.887
131 HD3 ARG 13 3HD ARG 13 -9.408 -5.409 -11.889
132 HE ARG 13 HE ARG 13 -10.529 -6.169 -14.376
133 HH11 ARG 13 1HH1 ARG 13 -11.376 -5.507 -11.065
134 HH12 ARG 13 2HH1 ARG 13 -12.992 -5.009 -11.441
135 HH21 ARG 13 1HH2 ARG 13 -12.655 -5.516 -14.884
136 HH22 ARG 13 2HH2 ARG 13 -13.719 -5.015 -13.614
137 H ASP 14 H ASP 14 -5.689 -10.607 -14.123
138 HA ASP 14 HA ASP 14 -3.551 -8.827 -13.456
139 HB2 ASP 14 2HB ASP 14 -2.128 -10.764 -14.339
140 HB3 ASP 14 3HB ASP 14 -3.155 -11.096 -12.947
141 H ARG 15 H ARG 15 -4.588 -7.309 -15.210
142 HA ARG 15 HA ARG 15 -3.754 -7.871 -17.916
143 HB2 ARG 15 2HB ARG 15 -5.813 -6.633 -17.551
144 HB3 ARG 15 3HB ARG 15 -4.942 -5.394 -16.658
145 HG2 ARG 15 2HG ARG 15 -3.776 -4.707 -18.645
146 HG3 ARG 15 3HG ARG 15 -4.485 -6.037 -19.562
147 HD2 ARG 15 2HD ARG 15 -5.922 -4.386 -20.177
148 HD3 ARG 15 3HD ARG 15 -6.734 -4.916 -18.704
149 HE ARG 15 HE ARG 15 -4.827 -2.837 -18.228
150 HH11 ARG 15 1HH1 ARG 15 -8.082 -3.508 -19.266
151 HH12 ARG 15 2HH1 ARG 15 -8.689 -1.952 -18.804
152 HH21 ARG 15 1HH2 ARG 15 -5.614 -0.786 -17.616
153 HH22 ARG 15 2HH2 ARG 15 -7.284 -0.405 -17.866
154 H LEU 16 H LEU 16 -2.307 -6.583 -15.148
155 HA LEU 16 HA LEU 16 -0.560 -4.702 -16.410
156 HB2 LEU 16 2HB LEU 16 -0.163 -4.117 -14.312
157 HB3 LEU 16 3HB LEU 16 -1.238 -5.413 -13.789
158 HG LEU 16 HG LEU 16 1.701 -5.848 -14.265
159 HD11 LEU 16 1HD1 LEU 16 1.816 -4.263 -12.589
160 HD12 LEU 16 2HD1 LEU 16 1.716 -5.766 -11.673
161 HD13 LEU 16 3HD1 LEU 16 0.283 -4.758 -11.870
162 HD21 LEU 16 1HD2 LEU 16 0.733 -7.520 -12.273
163 HD22 LEU 16 2HD2 LEU 16 1.081 -7.960 -13.945
164 HD23 LEU 16 3HD2 LEU 16 -0.553 -7.483 -13.480
165 H GLN 17 H GLN 17 -0.590 -8.109 -16.050
166 HA GLN 17 HA GLN 17 2.090 -8.785 -15.998
167 HB2 GLN 17 2HB GLN 17 0.125 -10.357 -15.901
168 HB3 GLN 17 3HB GLN 17 -0.005 -10.201 -17.648
169 HG2 GLN 17 2HG GLN 17 1.802 -11.495 -18.040
170 HG3 GLN 17 3HG GLN 17 2.645 -10.950 -16.591
171 HE21 GLN 17 1HE2 GLN 17 2.166 -11.931 -14.602
172 HE22 GLN 17 2HE2 GLN 17 1.418 -13.486 -14.520
173 H ARG 18 H ARG 18 0.164 -7.549 -18.637
174 HA ARG 18 HA ARG 18 2.186 -8.090 -20.628
175 HB2 ARG 18 2HB ARG 18 -0.269 -6.344 -20.865
176 HB3 ARG 18 3HB ARG 18 0.691 -7.002 -22.183
177 HG2 ARG 18 2HG ARG 18 -0.008 -9.244 -21.628
178 HG3 ARG 18 3HG ARG 18 -0.882 -8.649 -20.215
179 HD2 ARG 18 2HD ARG 18 -2.511 -8.969 -21.888
180 HD3 ARG 18 3HD ARG 18 -2.232 -7.229 -21.816
181 HE ARG 18 HE ARG 18 -0.529 -8.188 -23.758
182 HH11 ARG 18 1HH1 ARG 18 -3.965 -8.135 -23.199
183 HH12 ARG 18 2HH1 ARG 18 -4.371 -8.114 -24.883
184 HH21 ARG 18 1HH2 ARG 18 -1.050 -8.160 -25.978
185 HH22 ARG 18 2HH2 ARG 18 -2.712 -8.129 -26.463
186 H GLN 19 H GLN 19 1.103 -5.374 -18.687
187 HA GLN 19 HA GLN 19 2.500 -3.339 -20.042
188 HB2 GLN 19 2HB GLN 19 0.695 -3.310 -18.078
189 HB3 GLN 19 3HB GLN 19 2.145 -3.150 -17.094
190 HG2 GLN 19 2HG GLN 19 2.632 -1.293 -18.988
191 HG3 GLN 19 3HG GLN 19 0.872 -1.233 -18.918
192 HE21 GLN 19 1HE2 GLN 19 3.081 0.614 -18.026
193 HE22 GLN 19 2HE2 GLN 19 2.685 0.990 -16.387
194 H ALA 20 H ALA 20 3.394 -5.363 -17.269
195 HA ALA 20 HA ALA 20 6.001 -4.175 -17.030
196 HB1 ALA 20 1HB ALA 20 5.153 -4.962 -15.007
197 HB2 ALA 20 2HB ALA 20 4.633 -6.494 -15.711
198 HB3 ALA 20 3HB ALA 20 6.350 -6.176 -15.460
Start of MODEL 16
1 H1 ARG 1 H ARG 1 1.339 -1.998 0.744
2 HA ARG 1 HA ARG 1 2.648 0.210 -0.704
3 HB2 ARG 1 2HB ARG 1 3.594 -2.434 -0.013
4 HB3 ARG 1 3HB ARG 1 3.605 -2.204 -1.757
5 HG2 ARG 1 2HG ARG 1 4.959 -0.201 -1.503
6 HG3 ARG 1 3HG ARG 1 4.918 -0.385 0.251
7 HD2 ARG 1 2HD ARG 1 5.849 -2.795 -0.372
8 HD3 ARG 1 3HD ARG 1 6.423 -1.923 -1.793
9 HE ARG 1 HE ARG 1 7.456 -1.746 0.861
10 HH11 ARG 1 1HH1 ARG 1 6.967 0.036 -2.089
11 HH12 ARG 1 2HH1 ARG 1 8.284 1.125 -1.803
12 HH21 ARG 1 1HH2 ARG 1 9.192 -0.319 1.250
13 HH22 ARG 1 2HH2 ARG 1 9.550 0.922 0.096
14 H TRP 2 H TRP 2 2.852 -0.449 -3.152
15 HA TRP 2 HA TRP 2 0.193 -0.571 -4.157
16 HB2 TRP 2 2HB TRP 2 1.938 0.734 -5.279
17 HB3 TRP 2 3HB TRP 2 2.835 -0.742 -5.622
18 HD1 TRP 2 HD1 TRP 2 2.150 -2.107 -7.739
19 HE1 TRP 2 HE1 TRP 2 0.434 -1.742 -9.622
20 HE3 TRP 2 HE3 TRP 2 -0.493 1.759 -5.690
21 HZ2 TRP 2 HZ2 TRP 2 -1.751 -0.040 -10.167
22 HZ3 TRP 2 HZ3 TRP 2 -2.382 2.699 -6.957
23 HH2 TRP 2 HH2 TRP 2 -2.996 1.817 -9.149
24 H LYS 3 H LYS 3 2.521 -2.943 -3.385
25 HA LYS 3 HA LYS 3 1.909 -4.962 -5.231
26 HB2 LYS 3 2HB LYS 3 3.020 -6.458 -3.767
27 HB3 LYS 3 3HB LYS 3 3.832 -4.909 -3.580
28 HG2 LYS 3 2HG LYS 3 2.613 -4.495 -1.520
29 HG3 LYS 3 3HG LYS 3 1.744 -6.019 -1.715
30 HD2 LYS 3 2HD LYS 3 4.613 -6.388 -1.878
31 HD3 LYS 3 3HD LYS 3 4.137 -5.628 -0.358
32 HE2 LYS 3 2HE LYS 3 2.406 -7.450 -0.132
33 HE3 LYS 3 3HE LYS 3 3.186 -8.249 -1.496
34 HZ1 LYS 3 1HZ LYS 3 5.298 -8.040 -0.102
35 HZ2 LYS 3 2HZ LYS 3 4.165 -9.208 0.360
36 HZ3 LYS 3 3HZ LYS 3 4.265 -7.746 1.205
37 H ARG 4 H ARG 4 0.360 -4.004 -2.223
38 HA ARG 4 HA ARG 4 -1.413 -6.258 -2.149
39 HB2 ARG 4 2HB ARG 4 -0.887 -5.238 -0.060
40 HB3 ARG 4 3HB ARG 4 -1.336 -3.643 -0.649
41 HG2 ARG 4 2HG ARG 4 -3.492 -3.941 -0.155
42 HG3 ARG 4 3HG ARG 4 -3.505 -5.589 -0.786
43 HD2 ARG 4 2HD ARG 4 -2.085 -6.059 1.388
44 HD3 ARG 4 3HD ARG 4 -2.901 -4.603 1.956
45 HE ARG 4 HE ARG 4 -4.039 -7.189 1.678
46 HH11 ARG 4 1HH1 ARG 4 -4.763 -3.798 1.364
47 HH12 ARG 4 2HH1 ARG 4 -6.455 -3.997 1.677
48 HH21 ARG 4 1HH2 ARG 4 -6.265 -7.464 2.091
49 HH22 ARG 4 2HH2 ARG 4 -7.309 -6.082 2.091
50 H HIS 5 H HIS 5 -1.457 -3.075 -3.546
51 HA HIS 5 HA HIS 5 -4.306 -3.149 -4.085
52 HB2 HIS 5 2HB HIS 5 -2.122 -1.161 -4.399
53 HB3 HIS 5 3HB HIS 5 -3.474 -1.039 -5.520
54 HD1 HIS 5 HD1 HIS 5 -2.783 -1.021 -1.796
55 HD2 HIS 5 HD2 HIS 5 -5.696 0.182 -4.504
56 HE1 HIS 5 HE1 HIS 5 -4.442 0.309 -0.453
57 H ILE 6 H ILE 6 -1.389 -4.103 -5.606
58 HA ILE 6 HA ILE 6 -2.658 -4.232 -8.244
59 HB ILE 6 HB ILE 6 -0.375 -3.275 -8.088
60 HG12 ILE 6 2HG1 ILE 6 -1.001 -5.697 -9.720
61 HG13 ILE 6 3HG1 ILE 6 -0.785 -4.027 -10.233
62 HG21 ILE 6 1HG2 ILE 6 0.227 -5.013 -6.243
63 HG22 ILE 6 2HG2 ILE 6 0.703 -6.017 -7.612
64 HG23 ILE 6 3HG2 ILE 6 1.470 -4.450 -7.360
65 HD11 ILE 6 1HD1 ILE 6 1.655 -4.296 -9.752
66 HD12 ILE 6 2HD1 ILE 6 1.345 -6.015 -9.506
67 HD13 ILE 6 3HD1 ILE 6 1.037 -5.279 -11.079
68 H SER 7 H SER 7 -1.271 -6.261 -5.727
69 HA SER 7 HA SER 7 -1.145 -8.703 -6.998
70 HB2 SER 7 2HB SER 7 -1.691 -7.890 -4.168
71 HB3 SER 7 3HB SER 7 -1.850 -9.588 -4.619
72 HG SER 7 HG SER 7 0.252 -9.731 -4.873
73 H GLU 8 H GLU 8 -3.957 -7.142 -5.518
74 HA GLU 8 HA GLU 8 -5.708 -9.340 -6.143
75 HB2 GLU 8 2HB GLU 8 -6.259 -8.102 -4.191
76 HB3 GLU 8 3HB GLU 8 -6.167 -6.570 -5.049
77 HG2 GLU 8 2HG GLU 8 -8.296 -6.679 -5.654
78 HG3 GLU 8 3HG GLU 8 -8.123 -8.334 -6.237
79 H GLN 9 H GLN 9 -4.839 -6.269 -7.573
80 HA GLN 9 HA GLN 9 -6.980 -6.198 -9.458
81 HB2 GLN 9 2HB GLN 9 -5.130 -4.383 -8.590
82 HB3 GLN 9 3HB GLN 9 -4.504 -4.788 -10.183
83 HG2 GLN 9 2HG GLN 9 -5.944 -3.366 -11.062
84 HG3 GLN 9 3HG GLN 9 -7.258 -4.406 -10.514
85 HE21 GLN 9 1HE2 GLN 9 -7.796 -4.091 -8.125
86 HE22 GLN 9 2HE2 GLN 9 -7.911 -2.454 -7.587
87 H LEU 10 H LEU 10 -3.482 -6.753 -9.909
88 HA LEU 10 HA LEU 10 -3.608 -7.586 -12.559
89 HB2 LEU 10 2HB LEU 10 -1.417 -8.461 -12.268
90 HB3 LEU 10 3HB LEU 10 -1.549 -7.002 -11.287
91 HG LEU 10 HG LEU 10 -2.126 -8.799 -9.406
92 HD11 LEU 10 1HD1 LEU 10 -0.110 -10.536 -10.157
93 HD12 LEU 10 2HD1 LEU 10 -1.083 -10.356 -11.615
94 HD13 LEU 10 3HD1 LEU 10 -1.838 -10.888 -10.113
95 HD21 LEU 10 1HD2 LEU 10 -0.407 -7.403 -8.867
96 HD22 LEU 10 2HD2 LEU 10 0.432 -7.660 -10.397
97 HD23 LEU 10 3HD2 LEU 10 0.506 -8.889 -9.133
98 H ARG 11 H ARG 11 -4.551 -9.223 -9.693
99 HA ARG 11 HA ARG 11 -4.357 -11.885 -10.758
100 HB2 ARG 11 2HB ARG 11 -4.199 -11.670 -8.390
101 HB3 ARG 11 3HB ARG 11 -5.685 -10.733 -8.308
102 HG2 ARG 11 2HG ARG 11 -6.934 -12.561 -8.143
103 HG3 ARG 11 3HG ARG 11 -6.118 -13.333 -9.504
104 HD2 ARG 11 2HD ARG 11 -4.189 -13.544 -7.659
105 HD3 ARG 11 3HD ARG 11 -5.598 -13.547 -6.599
106 HE ARG 11 HE ARG 11 -6.186 -15.364 -8.561
107 HH11 ARG 11 1HH1 ARG 11 -3.625 -14.952 -6.239
108 HH12 ARG 11 2HH1 ARG 11 -3.313 -16.649 -6.087
109 HH21 ARG 11 1HH2 ARG 11 -5.784 -17.601 -8.370
110 HH22 ARG 11 2HH2 ARG 11 -4.541 -18.155 -7.300
111 H ARG 12 H ARG 12 -6.864 -9.436 -10.448
112 HA ARG 12 HA ARG 12 -8.989 -11.148 -11.315
113 HB2 ARG 12 2HB ARG 12 -8.724 -8.175 -10.931
114 HB3 ARG 12 3HB ARG 12 -10.172 -8.882 -11.633
115 HG2 ARG 12 2HG ARG 12 -9.435 -10.246 -9.204
116 HG3 ARG 12 3HG ARG 12 -9.617 -8.511 -8.935
117 HD2 ARG 12 2HD ARG 12 -11.836 -8.555 -9.881
118 HD3 ARG 12 3HD ARG 12 -11.654 -10.254 -10.315
119 HE ARG 12 HE ARG 12 -11.266 -9.994 -7.555
120 HH11 ARG 12 1HH1 ARG 12 -13.799 -9.690 -9.924
121 HH12 ARG 12 2HH1 ARG 12 -15.063 -10.115 -8.819
122 HH21 ARG 12 1HH2 ARG 12 -12.922 -10.554 -6.089
123 HH22 ARG 12 2HH2 ARG 12 -14.564 -10.605 -6.637
124 H ARG 13 H ARG 13 -8.868 -8.134 -12.945
125 HA ARG 13 HA ARG 13 -8.229 -9.502 -15.476
126 HB2 ARG 13 2HB ARG 13 -9.828 -7.817 -16.523
127 HB3 ARG 13 3HB ARG 13 -10.553 -9.108 -15.575
128 HG2 ARG 13 2HG ARG 13 -11.506 -7.661 -14.192
129 HG3 ARG 13 3HG ARG 13 -9.984 -6.808 -13.931
130 HD2 ARG 13 2HD ARG 13 -10.487 -5.202 -15.422
131 HD3 ARG 13 3HD ARG 13 -11.214 -6.343 -16.553
132 HE ARG 13 HE ARG 13 -12.978 -6.142 -14.447
133 HH11 ARG 13 1HH1 ARG 13 -11.568 -3.982 -16.785
134 HH12 ARG 13 2HH1 ARG 13 -12.930 -2.912 -16.811
135 HH21 ARG 13 1HH2 ARG 13 -14.777 -4.741 -14.472
136 HH22 ARG 13 2HH2 ARG 13 -14.754 -3.344 -15.494
137 H ASP 14 H ASP 14 -7.737 -6.791 -13.417
138 HA ASP 14 HA ASP 14 -6.540 -5.089 -15.394
139 HB2 ASP 14 2HB ASP 14 -6.890 -5.008 -12.430
140 HB3 ASP 14 3HB ASP 14 -5.658 -3.979 -13.154
141 H ARG 15 H ARG 15 -5.245 -7.219 -15.978
142 HA ARG 15 HA ARG 15 -2.914 -7.718 -14.384
143 HB2 ARG 15 2HB ARG 15 -2.214 -9.140 -16.290
144 HB3 ARG 15 3HB ARG 15 -3.836 -9.510 -15.721
145 HG2 ARG 15 2HG ARG 15 -4.003 -7.546 -17.781
146 HG3 ARG 15 3HG ARG 15 -3.005 -8.891 -18.337
147 HD2 ARG 15 2HD ARG 15 -5.580 -9.460 -16.943
148 HD3 ARG 15 3HD ARG 15 -5.610 -8.942 -18.628
149 HE ARG 15 HE ARG 15 -3.768 -10.980 -18.512
150 HH11 ARG 15 1HH1 ARG 15 -7.150 -10.595 -17.784
151 HH12 ARG 15 2HH1 ARG 15 -7.550 -12.241 -18.151
152 HH21 ARG 15 1HH2 ARG 15 -4.281 -13.148 -18.998
153 HH22 ARG 15 2HH2 ARG 15 -5.917 -13.692 -18.840
154 H LEU 16 H LEU 16 -2.683 -5.160 -14.552
155 HA LEU 16 HA LEU 16 -1.645 -3.890 -16.762
156 HB2 LEU 16 2HB LEU 16 -0.488 -2.394 -15.179
157 HB3 LEU 16 3HB LEU 16 -2.177 -2.678 -14.764
158 HG LEU 16 HG LEU 16 -0.870 -4.579 -13.276
159 HD11 LEU 16 1HD1 LEU 16 0.914 -2.236 -13.694
160 HD12 LEU 16 2HD1 LEU 16 1.316 -3.937 -13.465
161 HD13 LEU 16 3HD1 LEU 16 0.821 -2.955 -12.087
162 HD21 LEU 16 1HD2 LEU 16 -1.106 -2.532 -11.519
163 HD22 LEU 16 2HD2 LEU 16 -2.447 -3.543 -12.056
164 HD23 LEU 16 3HD2 LEU 16 -2.160 -1.979 -12.820
165 H GLN 17 H GLN 17 -0.069 -6.125 -14.578
166 HA GLN 17 HA GLN 17 2.597 -5.669 -15.158
167 HB2 GLN 17 2HB GLN 17 2.957 -8.058 -14.588
168 HB3 GLN 17 3HB GLN 17 1.944 -7.215 -13.423
169 HG2 GLN 17 2HG GLN 17 0.639 -9.021 -13.629
170 HG3 GLN 17 3HG GLN 17 0.058 -8.196 -15.075
171 HE21 GLN 17 1HE2 GLN 17 -0.110 -10.939 -14.758
172 HE22 GLN 17 2HE2 GLN 17 0.937 -11.705 -15.899
173 H ARG 18 H ARG 18 0.219 -7.564 -16.957
174 HA ARG 18 HA ARG 18 1.956 -8.704 -18.835
175 HB2 ARG 18 2HB ARG 18 -0.410 -9.379 -18.492
176 HB3 ARG 18 3HB ARG 18 -0.922 -7.882 -19.258
177 HG2 ARG 18 2HG ARG 18 -1.080 -9.578 -20.893
178 HG3 ARG 18 3HG ARG 18 0.342 -8.616 -21.300
179 HD2 ARG 18 2HD ARG 18 1.815 -10.271 -20.488
180 HD3 ARG 18 3HD ARG 18 0.515 -11.132 -19.667
181 HE ARG 18 HE ARG 18 0.193 -10.976 -22.522
182 HH11 ARG 18 1HH1 ARG 18 1.593 -12.762 -19.881
183 HH12 ARG 18 2HH1 ARG 18 1.679 -14.251 -20.762
184 HH21 ARG 18 1HH2 ARG 18 0.301 -12.930 -23.692
185 HH22 ARG 18 2HH2 ARG 18 0.944 -14.345 -22.930
186 H GLN 19 H GLN 19 0.675 -5.496 -18.551
187 HA GLN 19 HA GLN 19 1.348 -4.765 -21.272
188 HB2 GLN 19 2HB GLN 19 -0.497 -3.814 -19.507
189 HB3 GLN 19 3HB GLN 19 0.783 -2.621 -19.333
190 HG2 GLN 19 2HG GLN 19 0.694 -2.672 -21.974
191 HG3 GLN 19 3HG GLN 19 -0.951 -3.222 -21.660
192 HE21 GLN 19 1HE2 GLN 19 -0.529 -0.875 -22.965
193 HE22 GLN 19 2HE2 GLN 19 -0.978 0.453 -21.957
194 H ALA 20 H ALA 20 2.301 -3.455 -18.091
195 HA ALA 20 HA ALA 20 4.817 -2.542 -19.267
196 HB1 ALA 20 1HB ALA 20 5.082 -1.380 -17.045
197 HB2 ALA 20 2HB ALA 20 3.716 -0.852 -18.028
198 HB3 ALA 20 3HB ALA 20 3.451 -1.929 -16.657
Start of MODEL 17
1 H1 ARG 1 H ARG 1 2.272 -2.245 0.959
2 HA ARG 1 HA ARG 1 2.723 0.028 -0.687
3 HB2 ARG 1 2HB ARG 1 3.673 -2.831 -0.849
4 HB3 ARG 1 3HB ARG 1 4.162 -1.599 -2.005
5 HG2 ARG 1 2HG ARG 1 4.794 -0.311 0.233
6 HG3 ARG 1 3HG ARG 1 4.942 -1.967 0.824
7 HD2 ARG 1 2HD ARG 1 6.439 -2.461 -1.092
8 HD3 ARG 1 3HD ARG 1 6.358 -0.759 -1.548
9 HE ARG 1 HE ARG 1 7.183 -0.689 1.035
10 HH11 ARG 1 1HH1 ARG 1 8.308 -2.343 -1.814
11 HH12 ARG 1 2HH1 ARG 1 9.966 -2.355 -1.312
12 HH21 ARG 1 1HH2 ARG 1 9.362 -0.698 1.708
13 HH22 ARG 1 2HH2 ARG 1 10.564 -1.420 0.692
14 H TRP 2 H TRP 2 2.950 -0.619 -3.218
15 HA TRP 2 HA TRP 2 0.269 -0.711 -4.157
16 HB2 TRP 2 2HB TRP 2 2.004 0.577 -5.316
17 HB3 TRP 2 3HB TRP 2 2.871 -0.910 -5.690
18 HD1 TRP 2 HD1 TRP 2 2.104 -2.260 -7.791
19 HE1 TRP 2 HE1 TRP 2 0.348 -1.856 -9.629
20 HE3 TRP 2 HE3 TRP 2 -0.411 1.650 -5.666
21 HZ2 TRP 2 HZ2 TRP 2 -1.816 -0.110 -10.114
22 HZ3 TRP 2 HZ3 TRP 2 -2.312 2.631 -6.882
23 HH2 TRP 2 HH2 TRP 2 -2.998 1.768 -9.060
24 H LYS 3 H LYS 3 2.583 -3.119 -3.456
25 HA LYS 3 HA LYS 3 1.897 -5.118 -5.297
26 HB2 LYS 3 2HB LYS 3 3.020 -6.640 -3.865
27 HB3 LYS 3 3HB LYS 3 3.864 -5.105 -3.703
28 HG2 LYS 3 2HG LYS 3 2.701 -4.671 -1.609
29 HG3 LYS 3 3HG LYS 3 1.817 -6.190 -1.776
30 HD2 LYS 3 2HD LYS 3 3.535 -7.386 -0.989
31 HD3 LYS 3 3HD LYS 3 4.697 -6.537 -2.011
32 HE2 LYS 3 2HE LYS 3 5.369 -6.027 0.168
33 HE3 LYS 3 3HE LYS 3 4.461 -4.606 -0.346
34 HZ1 LYS 3 1HZ LYS 3 4.007 -6.210 1.883
35 HZ2 LYS 3 2HZ LYS 3 2.698 -6.448 0.838
36 HZ3 LYS 3 3HZ LYS 3 3.095 -4.886 1.354
37 H ARG 4 H ARG 4 0.451 -4.173 -2.231
38 HA ARG 4 HA ARG 4 -1.355 -6.397 -2.130
39 HB2 ARG 4 2HB ARG 4 -0.755 -5.403 -0.049
40 HB3 ARG 4 3HB ARG 4 -1.200 -3.798 -0.611
41 HG2 ARG 4 2HG ARG 4 -3.345 -4.074 -0.059
42 HG3 ARG 4 3HG ARG 4 -3.396 -5.716 -0.702
43 HD2 ARG 4 2HD ARG 4 -2.804 -6.661 1.290
44 HD3 ARG 4 3HD ARG 4 -1.870 -5.256 1.802
45 HE ARG 4 HE ARG 4 -3.765 -4.374 2.754
46 HH11 ARG 4 1HH1 ARG 4 -4.624 -7.060 0.712
47 HH12 ARG 4 2HH1 ARG 4 -6.267 -7.119 1.259
48 HH21 ARG 4 1HH2 ARG 4 -5.925 -4.441 3.482
49 HH22 ARG 4 2HH2 ARG 4 -7.006 -5.628 2.834
50 H HIS 5 H HIS 5 -1.389 -3.207 -3.507
51 HA HIS 5 HA HIS 5 -4.253 -3.230 -3.961
52 HB2 HIS 5 2HB HIS 5 -2.323 -1.224 -3.748
53 HB3 HIS 5 3HB HIS 5 -2.788 -1.212 -5.447
54 HD1 HIS 5 HD1 HIS 5 -5.056 -0.257 -6.029
55 HD2 HIS 5 HD2 HIS 5 -4.461 -0.648 -1.935
56 HE1 HIS 5 HE1 HIS 5 -6.980 0.952 -4.951
57 H ILE 6 H ILE 6 -1.391 -4.205 -5.581
58 HA ILE 6 HA ILE 6 -2.745 -4.307 -8.177
59 HB ILE 6 HB ILE 6 -0.445 -3.382 -8.086
60 HG12 ILE 6 2HG1 ILE 6 -1.157 -5.784 -9.712
61 HG13 ILE 6 3HG1 ILE 6 -0.928 -4.115 -10.221
62 HG21 ILE 6 1HG2 ILE 6 0.607 -6.143 -7.656
63 HG22 ILE 6 2HG2 ILE 6 1.406 -4.589 -7.426
64 HG23 ILE 6 3HG2 ILE 6 0.192 -5.136 -6.270
65 HD11 ILE 6 1HD1 ILE 6 1.519 -4.427 -9.813
66 HD12 ILE 6 2HD1 ILE 6 1.188 -6.143 -9.572
67 HD13 ILE 6 3HD1 ILE 6 0.846 -5.389 -11.129
68 H SER 7 H SER 7 -1.314 -6.369 -5.713
69 HA SER 7 HA SER 7 -1.258 -8.805 -7.000
70 HB2 SER 7 2HB SER 7 -1.714 -8.003 -4.151
71 HB3 SER 7 3HB SER 7 -1.905 -9.695 -4.607
72 HG SER 7 HG SER 7 0.258 -9.458 -5.571
73 H GLU 8 H GLU 8 -4.005 -7.213 -5.434
74 HA GLU 8 HA GLU 8 -5.804 -9.384 -6.018
75 HB2 GLU 8 2HB GLU 8 -6.281 -8.148 -4.045
76 HB3 GLU 8 3HB GLU 8 -6.193 -6.613 -4.898
77 HG2 GLU 8 2HG GLU 8 -8.340 -6.690 -5.442
78 HG3 GLU 8 3HG GLU 8 -8.205 -8.343 -6.039
79 H GLN 9 H GLN 9 -4.933 -6.317 -7.457
80 HA GLN 9 HA GLN 9 -7.125 -6.207 -9.280
81 HB2 GLN 9 2HB GLN 9 -5.227 -4.421 -8.457
82 HB3 GLN 9 3HB GLN 9 -4.651 -4.827 -10.068
83 HG2 GLN 9 2HG GLN 9 -6.097 -3.386 -10.905
84 HG3 GLN 9 3HG GLN 9 -7.410 -4.405 -10.315
85 HE21 GLN 9 1HE2 GLN 9 -8.838 -3.359 -9.151
86 HE22 GLN 9 2HE2 GLN 9 -8.532 -2.000 -8.129
87 H LEU 10 H LEU 10 -3.650 -6.810 -9.833
88 HA LEU 10 HA LEU 10 -3.861 -7.625 -12.482
89 HB2 LEU 10 2HB LEU 10 -1.678 -8.538 -12.255
90 HB3 LEU 10 3HB LEU 10 -1.759 -7.082 -11.265
91 HG LEU 10 HG LEU 10 -2.314 -8.876 -9.376
92 HD11 LEU 10 1HD1 LEU 10 -2.113 -10.959 -10.152
93 HD12 LEU 10 2HD1 LEU 10 -0.375 -10.662 -10.133
94 HD13 LEU 10 3HD1 LEU 10 -1.292 -10.429 -11.621
95 HD21 LEU 10 1HD2 LEU 10 0.241 -7.787 -10.435
96 HD22 LEU 10 2HD2 LEU 10 0.318 -9.009 -9.165
97 HD23 LEU 10 3HD2 LEU 10 -0.558 -7.503 -8.888
98 H ARG 11 H ARG 11 -4.749 -9.266 -9.600
99 HA ARG 11 HA ARG 11 -4.627 -11.923 -10.684
100 HB2 ARG 11 2HB ARG 11 -4.405 -11.725 -8.320
101 HB3 ARG 11 3HB ARG 11 -5.873 -10.764 -8.195
102 HG2 ARG 11 2HG ARG 11 -7.157 -12.570 -8.028
103 HG3 ARG 11 3HG ARG 11 -6.360 -13.361 -9.390
104 HD2 ARG 11 2HD ARG 11 -5.092 -13.187 -6.671
105 HD3 ARG 11 3HD ARG 11 -6.191 -14.495 -7.110
106 HE ARG 11 HE ARG 11 -4.113 -14.189 -9.029
107 HH11 ARG 11 1HH1 ARG 11 -4.818 -15.469 -5.869
108 HH12 ARG 11 2HH1 ARG 11 -3.579 -16.677 -5.939
109 HH21 ARG 11 1HH2 ARG 11 -2.479 -15.776 -9.134
110 HH22 ARG 11 2HH2 ARG 11 -2.248 -16.851 -7.796
111 H ARG 12 H ARG 12 -7.090 -9.441 -10.291
112 HA ARG 12 HA ARG 12 -9.261 -11.114 -11.114
113 HB2 ARG 12 2HB ARG 12 -8.941 -8.148 -10.722
114 HB3 ARG 12 3HB ARG 12 -10.418 -8.830 -11.390
115 HG2 ARG 12 2HG ARG 12 -9.416 -10.004 -8.866
116 HG3 ARG 12 3HG ARG 12 -10.085 -8.372 -8.793
117 HD2 ARG 12 2HD ARG 12 -12.190 -9.078 -9.205
118 HD3 ARG 12 3HD ARG 12 -11.661 -10.325 -10.334
119 HE ARG 12 HE ARG 12 -11.647 -11.832 -8.609
120 HH11 ARG 12 1HH1 ARG 12 -11.787 -8.605 -7.309
121 HH12 ARG 12 2HH1 ARG 12 -12.060 -9.133 -5.682
122 HH21 ARG 12 1HH2 ARG 12 -12.006 -12.538 -6.471
123 HH22 ARG 12 2HH2 ARG 12 -12.183 -11.370 -5.206
124 H ARG 13 H ARG 13 -9.140 -8.095 -12.732
125 HA ARG 13 HA ARG 13 -8.584 -9.457 -15.285
126 HB2 ARG 13 2HB ARG 13 -10.209 -7.885 -16.330
127 HB3 ARG 13 3HB ARG 13 -10.944 -8.994 -15.181
128 HG2 ARG 13 2HG ARG 13 -11.453 -7.346 -13.699
129 HG3 ARG 13 3HG ARG 13 -10.083 -6.341 -14.177
130 HD2 ARG 13 2HD ARG 13 -12.448 -6.826 -15.970
131 HD3 ARG 13 3HD ARG 13 -12.392 -5.499 -14.810
132 HE ARG 13 HE ARG 13 -10.089 -5.524 -16.480
133 HH11 ARG 13 1HH1 ARG 13 -13.458 -4.650 -16.394
134 HH12 ARG 13 2HH1 ARG 13 -13.302 -3.413 -17.597
135 HH21 ARG 13 1HH2 ARG 13 -9.871 -3.898 -18.065
136 HH22 ARG 13 2HH2 ARG 13 -11.262 -2.987 -18.548
137 H ASP 14 H ASP 14 -8.000 -6.766 -13.224
138 HA ASP 14 HA ASP 14 -6.832 -5.068 -15.222
139 HB2 ASP 14 2HB ASP 14 -7.102 -5.002 -12.250
140 HB3 ASP 14 3HB ASP 14 -5.875 -3.985 -13.000
141 H ARG 15 H ARG 15 -5.583 -7.212 -15.854
142 HA ARG 15 HA ARG 15 -3.218 -7.754 -14.326
143 HB2 ARG 15 2HB ARG 15 -2.589 -9.173 -16.260
144 HB3 ARG 15 3HB ARG 15 -4.200 -9.524 -15.649
145 HG2 ARG 15 2HG ARG 15 -5.213 -8.853 -17.546
146 HG3 ARG 15 3HG ARG 15 -4.056 -7.552 -17.832
147 HD2 ARG 15 2HD ARG 15 -3.068 -8.819 -19.364
148 HD3 ARG 15 3HD ARG 15 -2.629 -9.960 -18.095
149 HE ARG 15 HE ARG 15 -4.219 -11.385 -18.898
150 HH11 ARG 15 1HH1 ARG 15 -4.901 -8.177 -20.066
151 HH12 ARG 15 2HH1 ARG 15 -6.198 -8.687 -21.096
152 HH21 ARG 15 1HH2 ARG 15 -5.924 -12.069 -20.251
153 HH22 ARG 15 2HH2 ARG 15 -6.779 -10.901 -21.200
154 H LEU 16 H LEU 16 -2.957 -5.198 -14.485
155 HA LEU 16 HA LEU 16 -1.956 -3.932 -16.716
156 HB2 LEU 16 2HB LEU 16 -0.747 -2.453 -15.156
157 HB3 LEU 16 3HB LEU 16 -2.429 -2.721 -14.701
158 HG LEU 16 HG LEU 16 -1.091 -4.643 -13.257
159 HD11 LEU 16 1HD1 LEU 16 1.087 -3.978 -13.498
160 HD12 LEU 16 2HD1 LEU 16 0.617 -3.035 -12.085
161 HD13 LEU 16 3HD1 LEU 16 0.665 -2.274 -13.675
162 HD21 LEU 16 1HD2 LEU 16 -1.304 -2.608 -11.480
163 HD22 LEU 16 2HD2 LEU 16 -2.649 -3.627 -11.996
164 HD23 LEU 16 3HD2 LEU 16 -2.390 -2.056 -12.756
165 H GLN 17 H GLN 17 -0.382 -6.230 -14.612
166 HA GLN 17 HA GLN 17 2.284 -5.812 -15.180
167 HB2 GLN 17 2HB GLN 17 2.568 -8.270 -14.788
168 HB3 GLN 17 3HB GLN 17 1.659 -7.434 -13.536
169 HG2 GLN 17 2HG GLN 17 -0.436 -8.208 -14.672
170 HG3 GLN 17 3HG GLN 17 0.582 -9.207 -15.710
171 HE21 GLN 17 1HE2 GLN 17 -0.345 -11.105 -14.952
172 HE22 GLN 17 2HE2 GLN 17 -0.010 -11.729 -13.376
173 H ARG 18 H ARG 18 -0.074 -7.712 -17.033
174 HA ARG 18 HA ARG 18 1.619 -8.733 -18.978
175 HB2 ARG 18 2HB ARG 18 -0.783 -9.337 -18.666
176 HB3 ARG 18 3HB ARG 18 -1.225 -7.804 -19.406
177 HG2 ARG 18 2HG ARG 18 -1.385 -9.173 -21.215
178 HG3 ARG 18 3HG ARG 18 0.308 -8.693 -21.356
179 HD2 ARG 18 2HD ARG 18 0.403 -10.876 -19.676
180 HD3 ARG 18 3HD ARG 18 -0.860 -11.308 -20.828
181 HE ARG 18 HE ARG 18 1.298 -10.327 -22.284
182 HH11 ARG 18 1HH1 ARG 18 0.563 -13.016 -20.198
183 HH12 ARG 18 2HH1 ARG 18 1.690 -14.086 -20.964
184 HH21 ARG 18 1HH2 ARG 18 2.784 -11.727 -23.301
185 HH22 ARG 18 2HH2 ARG 18 2.953 -13.352 -22.729
186 H GLN 19 H GLN 19 0.379 -5.513 -18.570
187 HA GLN 19 HA GLN 19 1.130 -4.675 -21.239
188 HB2 GLN 19 2HB GLN 19 -0.290 -3.475 -18.938
189 HB3 GLN 19 3HB GLN 19 0.616 -2.357 -19.948
190 HG2 GLN 19 2HG GLN 19 -0.636 -3.628 -21.885
191 HG3 GLN 19 3HG GLN 19 -1.780 -3.985 -20.593
192 HE21 GLN 19 1HE2 GLN 19 -1.128 -1.907 -23.016
193 HE22 GLN 19 2HE2 GLN 19 -1.949 -0.501 -22.440
194 H ALA 20 H ALA 20 2.036 -3.572 -17.967
195 HA ALA 20 HA ALA 20 4.505 -2.455 -19.001
196 HB1 ALA 20 1HB ALA 20 3.847 -2.551 -16.091
197 HB2 ALA 20 2HB ALA 20 4.695 -1.309 -17.012
198 HB3 ALA 20 3HB ALA 20 2.946 -1.473 -17.156
Start of MODEL 18
1 H1 ARG 1 H ARG 1 5.004 -2.428 -1.333
2 HA ARG 1 HA ARG 1 2.481 -2.031 -0.012
3 HB2 ARG 1 2HB ARG 1 4.601 -0.390 -0.856
4 HB3 ARG 1 3HB ARG 1 3.205 0.118 -1.799
5 HG2 ARG 1 2HG ARG 1 2.530 1.314 -0.067
6 HG3 ARG 1 3HG ARG 1 2.294 -0.184 0.836
7 HD2 ARG 1 2HD ARG 1 4.838 -0.016 1.295
8 HD3 ARG 1 3HD ARG 1 4.644 1.673 0.826
9 HE ARG 1 HE ARG 1 3.780 0.448 3.270
10 HH11 ARG 1 1HH1 ARG 1 3.194 3.044 1.026
11 HH12 ARG 1 2HH1 ARG 1 2.436 4.065 2.203
12 HH21 ARG 1 1HH2 ARG 1 2.785 1.783 4.829
13 HH22 ARG 1 2HH2 ARG 1 2.205 3.347 4.367
14 H TRP 2 H TRP 2 3.477 -1.397 -3.381
15 HA TRP 2 HA TRP 2 0.807 -1.358 -4.343
16 HB2 TRP 2 2HB TRP 2 2.616 -0.155 -5.480
17 HB3 TRP 2 3HB TRP 2 3.408 -1.682 -5.856
18 HD1 TRP 2 HD1 TRP 2 2.594 -2.979 -7.972
19 HE1 TRP 2 HE1 TRP 2 0.876 -2.476 -9.822
20 HE3 TRP 2 HE3 TRP 2 0.258 1.039 -5.842
21 HZ2 TRP 2 HZ2 TRP 2 -1.195 -0.622 -10.313
22 HZ3 TRP 2 HZ3 TRP 2 -1.581 2.120 -7.068
23 HH2 TRP 2 HH2 TRP 2 -2.291 1.306 -9.257
24 H LYS 3 H LYS 3 2.989 -3.885 -3.637
25 HA LYS 3 HA LYS 3 2.215 -5.837 -5.495
26 HB2 LYS 3 2HB LYS 3 3.248 -7.422 -4.064
27 HB3 LYS 3 3HB LYS 3 4.166 -5.933 -3.883
28 HG2 LYS 3 2HG LYS 3 3.007 -5.454 -1.798
29 HG3 LYS 3 3HG LYS 3 2.050 -6.925 -1.983
30 HD2 LYS 3 2HD LYS 3 3.658 -8.120 -1.020
31 HD3 LYS 3 3HD LYS 3 4.817 -7.580 -2.237
32 HE2 LYS 3 2HE LYS 3 5.740 -6.061 -0.860
33 HE3 LYS 3 3HE LYS 3 4.185 -5.588 -0.177
34 HZ1 LYS 3 1HZ LYS 3 6.139 -7.269 0.933
35 HZ2 LYS 3 2HZ LYS 3 4.739 -8.184 0.681
36 HZ3 LYS 3 3HZ LYS 3 4.670 -6.773 1.611
37 H ARG 4 H ARG 4 0.789 -4.828 -2.442
38 HA ARG 4 HA ARG 4 -1.128 -6.959 -2.366
39 HB2 ARG 4 2HB ARG 4 -0.499 -6.006 -0.274
40 HB3 ARG 4 3HB ARG 4 -0.852 -4.377 -0.834
41 HG2 ARG 4 2HG ARG 4 -3.014 -4.539 -0.304
42 HG3 ARG 4 3HG ARG 4 -3.147 -6.173 -0.956
43 HD2 ARG 4 2HD ARG 4 -3.456 -6.656 1.242
44 HD3 ARG 4 3HD ARG 4 -1.695 -6.727 1.201
45 HE ARG 4 HE ARG 4 -1.646 -4.917 2.586
46 HH11 ARG 4 1HH1 ARG 4 -4.762 -5.049 1.039
47 HH12 ARG 4 2HH1 ARG 4 -5.419 -3.734 1.957
48 HH21 ARG 4 1HH2 ARG 4 -2.499 -3.185 3.800
49 HH22 ARG 4 2HH2 ARG 4 -4.130 -2.674 3.527
50 H HIS 5 H HIS 5 -0.987 -3.764 -3.726
51 HA HIS 5 HA HIS 5 -3.844 -3.641 -4.209
52 HB2 HIS 5 2HB HIS 5 -1.531 -1.802 -4.609
53 HB3 HIS 5 3HB HIS 5 -2.961 -1.562 -5.610
54 HD1 HIS 5 HD1 HIS 5 -2.072 -1.826 -1.924
55 HD2 HIS 5 HD2 HIS 5 -4.892 -0.075 -4.422
56 HE1 HIS 5 HE1 HIS 5 -3.490 -0.383 -0.430
57 H ILE 6 H ILE 6 -1.022 -4.760 -5.801
58 HA ILE 6 HA ILE 6 -2.350 -4.776 -8.413
59 HB ILE 6 HB ILE 6 -0.007 -3.968 -8.292
60 HG12 ILE 6 2HG1 ILE 6 -0.822 -6.322 -9.940
61 HG13 ILE 6 3HG1 ILE 6 -0.504 -4.663 -10.437
62 HG21 ILE 6 1HG2 ILE 6 0.901 -6.781 -7.870
63 HG22 ILE 6 2HG2 ILE 6 1.773 -5.270 -7.620
64 HG23 ILE 6 3HG2 ILE 6 0.521 -5.764 -6.481
65 HD11 ILE 6 1HD1 ILE 6 1.214 -6.023 -11.333
66 HD12 ILE 6 2HD1 ILE 6 1.921 -5.104 -10.004
67 HD13 ILE 6 3HD1 ILE 6 1.499 -6.801 -9.777
68 H SER 7 H SER 7 -1.055 -6.919 -5.943
69 HA SER 7 HA SER 7 -1.105 -9.349 -7.243
70 HB2 SER 7 2HB SER 7 -1.552 -8.536 -4.396
71 HB3 SER 7 3HB SER 7 -1.829 -10.214 -4.861
72 HG SER 7 HG SER 7 0.255 -10.334 -4.521
73 H GLU 8 H GLU 8 -3.787 -7.635 -5.691
74 HA GLU 8 HA GLU 8 -5.684 -9.708 -6.319
75 HB2 GLU 8 2HB GLU 8 -6.007 -8.375 -4.317
76 HB3 GLU 8 3HB GLU 8 -6.058 -6.899 -5.270
77 HG2 GLU 8 2HG GLU 8 -8.031 -8.496 -6.381
78 HG3 GLU 8 3HG GLU 8 -8.165 -8.772 -4.645
79 H GLN 9 H GLN 9 -4.682 -6.642 -7.690
80 HA GLN 9 HA GLN 9 -6.835 -6.409 -9.538
81 HB2 GLN 9 2HB GLN 9 -4.871 -4.728 -8.677
82 HB3 GLN 9 3HB GLN 9 -4.273 -5.157 -10.274
83 HG2 GLN 9 2HG GLN 9 -5.624 -3.646 -11.146
84 HG3 GLN 9 3HG GLN 9 -7.002 -4.594 -10.588
85 HE21 GLN 9 1HE2 GLN 9 -7.942 -4.079 -8.566
86 HE22 GLN 9 2HE2 GLN 9 -7.766 -2.503 -7.882
87 H LEU 10 H LEU 10 -3.395 -7.206 -10.061
88 HA LEU 10 HA LEU 10 -3.638 -7.979 -12.727
89 HB2 LEU 10 2HB LEU 10 -1.496 -8.971 -12.513
90 HB3 LEU 10 3HB LEU 10 -1.518 -7.540 -11.484
91 HG LEU 10 HG LEU 10 -2.149 -9.354 -9.643
92 HD11 LEU 10 1HD1 LEU 10 -1.377 -10.923 -11.915
93 HD12 LEU 10 2HD1 LEU 10 -1.950 -11.451 -10.334
94 HD13 LEU 10 3HD1 LEU 10 -0.230 -11.160 -10.596
95 HD21 LEU 10 1HD2 LEU 10 0.454 -8.363 -10.680
96 HD22 LEU 10 2HD2 LEU 10 0.472 -9.618 -9.441
97 HD23 LEU 10 3HD2 LEU 10 -0.329 -8.078 -9.126
98 H ARG 11 H ARG 11 -4.635 -9.582 -9.869
99 HA ARG 11 HA ARG 11 -4.622 -12.241 -10.967
100 HB2 ARG 11 2HB ARG 11 -4.390 -12.070 -8.602
101 HB3 ARG 11 3HB ARG 11 -5.812 -11.044 -8.469
102 HG2 ARG 11 2HG ARG 11 -7.184 -12.790 -8.328
103 HG3 ARG 11 3HG ARG 11 -6.406 -13.615 -9.681
104 HD2 ARG 11 2HD ARG 11 -6.195 -14.936 -7.659
105 HD3 ARG 11 3HD ARG 11 -4.612 -14.357 -8.177
106 HE ARG 11 HE ARG 11 -4.459 -13.153 -6.237
107 HH11 ARG 11 1HH1 ARG 11 -7.767 -14.124 -6.718
108 HH12 ARG 11 2HH1 ARG 11 -8.290 -13.580 -5.158
109 HH21 ARG 11 1HH2 ARG 11 -5.135 -12.433 -4.181
110 HH22 ARG 11 2HH2 ARG 11 -6.792 -12.618 -3.716
111 H ARG 12 H ARG 12 -6.959 -9.643 -10.567
112 HA ARG 12 HA ARG 12 -9.211 -11.207 -11.394
113 HB2 ARG 12 2HB ARG 12 -8.752 -8.258 -10.999
114 HB3 ARG 12 3HB ARG 12 -10.264 -8.877 -11.649
115 HG2 ARG 12 2HG ARG 12 -10.626 -10.176 -9.629
116 HG3 ARG 12 3HG ARG 12 -9.084 -9.615 -8.979
117 HD2 ARG 12 2HD ARG 12 -10.187 -7.908 -8.074
118 HD3 ARG 12 3HD ARG 12 -10.441 -7.295 -9.708
119 HE ARG 12 HE ARG 12 -12.636 -7.952 -9.583
120 HH11 ARG 12 1HH1 ARG 12 -10.842 -9.405 -6.978
121 HH12 ARG 12 2HH1 ARG 12 -12.251 -10.006 -6.169
122 HH21 ARG 12 1HH2 ARG 12 -14.499 -8.738 -8.527
123 HH22 ARG 12 2HH2 ARG 12 -14.331 -9.627 -7.052
124 H ARG 13 H ARG 13 -8.933 -8.186 -12.994
125 HA ARG 13 HA ARG 13 -8.452 -9.561 -15.556
126 HB2 ARG 13 2HB ARG 13 -10.012 -7.978 -16.609
127 HB3 ARG 13 3HB ARG 13 -10.802 -8.945 -15.371
128 HG2 ARG 13 2HG ARG 13 -11.038 -7.160 -13.934
129 HG3 ARG 13 3HG ARG 13 -9.717 -6.255 -14.675
130 HD2 ARG 13 2HD ARG 13 -11.180 -5.161 -15.935
131 HD3 ARG 13 3HD ARG 13 -11.684 -6.685 -16.665
132 HE ARG 13 HE ARG 13 -13.038 -6.591 -14.302
133 HH11 ARG 13 1HH1 ARG 13 -12.748 -4.471 -17.048
134 HH12 ARG 13 2HH1 ARG 13 -14.341 -3.813 -16.873
135 HH21 ARG 13 1HH2 ARG 13 -15.137 -5.732 -14.061
136 HH22 ARG 13 2HH2 ARG 13 -15.699 -4.530 -15.173
137 H ASP 14 H ASP 14 -7.735 -6.908 -13.483
138 HA ASP 14 HA ASP 14 -6.474 -5.269 -15.474
139 HB2 ASP 14 2HB ASP 14 -6.753 -5.194 -12.503
140 HB3 ASP 14 3HB ASP 14 -5.469 -4.243 -13.244
141 H ARG 15 H ARG 15 -5.334 -7.472 -16.107
142 HA ARG 15 HA ARG 15 -3.008 -8.143 -14.572
143 HB2 ARG 15 2HB ARG 15 -4.290 -9.714 -16.094
144 HB3 ARG 15 3HB ARG 15 -3.554 -8.868 -17.449
145 HG2 ARG 15 2HG ARG 15 -1.349 -9.443 -16.044
146 HG3 ARG 15 3HG ARG 15 -2.378 -10.787 -15.546
147 HD2 ARG 15 2HD ARG 15 -2.134 -10.071 -18.439
148 HD3 ARG 15 3HD ARG 15 -0.873 -11.022 -17.655
149 HE ARG 15 HE ARG 15 -3.443 -12.113 -17.142
150 HH11 ARG 15 1HH1 ARG 15 -0.991 -11.845 -19.599
151 HH12 ARG 15 2HH1 ARG 15 -1.440 -13.319 -20.392
152 HH21 ARG 15 1HH2 ARG 15 -4.043 -14.055 -18.177
153 HH22 ARG 15 2HH2 ARG 15 -3.177 -14.575 -19.582
154 H LEU 16 H LEU 16 -2.593 -5.615 -14.698
155 HA LEU 16 HA LEU 16 -1.523 -4.382 -16.919
156 HB2 LEU 16 2HB LEU 16 -0.256 -2.974 -15.350
157 HB3 LEU 16 3HB LEU 16 -1.943 -3.177 -14.881
158 HG LEU 16 HG LEU 16 -0.764 -5.149 -13.435
159 HD11 LEU 16 1HD1 LEU 16 1.276 -3.057 -13.985
160 HD12 LEU 16 2HD1 LEU 16 1.471 -4.793 -13.745
161 HD13 LEU 16 3HD1 LEU 16 1.182 -3.739 -12.361
162 HD21 LEU 16 1HD2 LEU 16 -0.648 -3.104 -11.680
163 HD22 LEU 16 2HD2 LEU 16 -2.145 -3.902 -12.164
164 HD23 LEU 16 3HD2 LEU 16 -1.662 -2.389 -12.934
165 H GLN 17 H GLN 17 -0.108 -6.815 -14.869
166 HA GLN 17 HA GLN 17 2.585 -6.541 -15.373
167 HB2 GLN 17 2HB GLN 17 1.010 -8.423 -14.144
168 HB3 GLN 17 3HB GLN 17 1.660 -9.321 -15.509
169 HG2 GLN 17 2HG GLN 17 3.559 -7.716 -13.902
170 HG3 GLN 17 3HG GLN 17 2.901 -9.180 -13.174
171 HE21 GLN 17 1HE2 GLN 17 5.404 -9.427 -13.371
172 HE22 GLN 17 2HE2 GLN 17 5.930 -10.318 -14.755
173 H ARG 18 H ARG 18 0.070 -7.748 -17.479
174 HA ARG 18 HA ARG 18 1.956 -8.702 -19.462
175 HB2 ARG 18 2HB ARG 18 -0.054 -9.973 -19.260
176 HB3 ARG 18 3HB ARG 18 -1.054 -8.532 -19.391
177 HG2 ARG 18 2HG ARG 18 0.663 -8.881 -21.700
178 HG3 ARG 18 3HG ARG 18 -0.395 -10.267 -21.430
179 HD2 ARG 18 2HD ARG 18 -2.211 -9.130 -22.062
180 HD3 ARG 18 3HD ARG 18 -1.767 -7.728 -21.089
181 HE ARG 18 HE ARG 18 -0.134 -7.865 -23.387
182 HH11 ARG 18 1HH1 ARG 18 -3.390 -7.126 -22.400
183 HH12 ARG 18 2HH1 ARG 18 -3.678 -6.031 -23.712
184 HH21 ARG 18 1HH2 ARG 18 -0.501 -6.426 -25.119
185 HH22 ARG 18 2HH2 ARG 18 -2.034 -5.635 -25.258
186 H GLN 19 H GLN 19 -0.022 -5.888 -18.859
187 HA GLN 19 HA GLN 19 0.183 -4.778 -21.473
188 HB2 GLN 19 2HB GLN 19 -0.611 -3.691 -18.789
189 HB3 GLN 19 3HB GLN 19 -0.431 -2.620 -20.173
190 HG2 GLN 19 2HG GLN 19 -2.121 -3.845 -21.388
191 HG3 GLN 19 3HG GLN 19 -2.256 -5.011 -20.073
192 HE21 GLN 19 1HE2 GLN 19 -4.554 -4.133 -20.561
193 HE22 GLN 19 2HE2 GLN 19 -5.075 -2.846 -19.534
194 H ALA 20 H ALA 20 2.159 -4.674 -18.601
195 HA ALA 20 HA ALA 20 4.183 -3.735 -18.142
196 HB1 ALA 20 1HB ALA 20 5.631 -4.571 -19.597
197 HB2 ALA 20 2HB ALA 20 4.312 -4.842 -20.736
198 HB3 ALA 20 3HB ALA 20 5.208 -3.324 -20.770
Start of MODEL 19
1 H1 ARG 1 H ARG 1 5.194 -2.354 -1.405
2 HA ARG 1 HA ARG 1 2.639 -1.816 -0.289
3 HB2 ARG 1 2HB ARG 1 4.462 -0.137 -2.017
4 HB3 ARG 1 3HB ARG 1 2.983 0.464 -1.279
5 HG2 ARG 1 2HG ARG 1 5.261 -0.712 0.291
6 HG3 ARG 1 3HG ARG 1 5.089 1.011 -0.050
7 HD2 ARG 1 2HD ARG 1 2.718 0.711 0.962
8 HD3 ARG 1 3HD ARG 1 3.388 -0.763 1.658
9 HE ARG 1 HE ARG 1 5.203 1.090 2.369
10 HH11 ARG 1 1HH1 ARG 1 1.732 0.981 2.622
11 HH12 ARG 1 2HH1 ARG 1 1.676 1.954 4.055
12 HH21 ARG 1 1HH2 ARG 1 5.142 2.372 4.255
13 HH22 ARG 1 2HH2 ARG 1 3.616 2.745 4.982
14 H TRP 2 H TRP 2 3.671 -1.085 -3.617
15 HA TRP 2 HA TRP 2 1.038 -1.028 -4.627
16 HB2 TRP 2 2HB TRP 2 2.793 0.169 -5.771
17 HB3 TRP 2 3HB TRP 2 3.699 -1.318 -6.033
18 HD1 TRP 2 HD1 TRP 2 2.733 -3.023 -7.907
19 HE1 TRP 2 HE1 TRP 2 1.255 -2.591 -9.970
20 HE3 TRP 2 HE3 TRP 2 0.910 1.586 -6.651
21 HZ2 TRP 2 HZ2 TRP 2 -0.456 -0.565 -10.937
22 HZ3 TRP 2 HZ3 TRP 2 -0.641 2.703 -8.199
23 HH2 TRP 2 HH2 TRP 2 -1.309 1.648 -10.298
24 H LYS 3 H LYS 3 3.283 -3.603 -4.102
25 HA LYS 3 HA LYS 3 2.338 -5.490 -5.947
26 HB2 LYS 3 2HB LYS 3 3.482 -7.129 -4.656
27 HB3 LYS 3 3HB LYS 3 4.431 -5.652 -4.546
28 HG2 LYS 3 2HG LYS 3 3.496 -5.201 -2.343
29 HG3 LYS 3 3HG LYS 3 2.514 -6.663 -2.453
30 HD2 LYS 3 2HD LYS 3 5.529 -6.612 -2.563
31 HD3 LYS 3 3HD LYS 3 4.585 -6.952 -1.110
32 HE2 LYS 3 2HE LYS 3 3.495 -8.823 -2.410
33 HE3 LYS 3 3HE LYS 3 4.714 -8.556 -3.655
34 HZ1 LYS 3 1HZ LYS 3 5.094 -9.516 -0.888
35 HZ2 LYS 3 2HZ LYS 3 6.378 -8.855 -1.768
36 HZ3 LYS 3 3HZ LYS 3 5.589 -10.240 -2.335
37 H ARG 4 H ARG 4 1.202 -4.589 -2.742
38 HA ARG 4 HA ARG 4 -0.704 -6.725 -2.564
39 HB2 ARG 4 2HB ARG 4 0.120 -5.850 -0.507
40 HB3 ARG 4 3HB ARG 4 -0.279 -4.201 -0.970
41 HG2 ARG 4 2HG ARG 4 -2.391 -4.386 -0.266
42 HG3 ARG 4 3HG ARG 4 -2.574 -6.010 -0.933
43 HD2 ARG 4 2HD ARG 4 -1.215 -6.860 0.987
44 HD3 ARG 4 3HD ARG 4 -1.279 -5.238 1.676
45 HE ARG 4 HE ARG 4 -3.889 -6.138 1.098
46 HH11 ARG 4 1HH1 ARG 4 -1.262 -6.665 3.321
47 HH12 ARG 4 2HH1 ARG 4 -2.290 -7.182 4.616
48 HH21 ARG 4 1HH2 ARG 4 -5.253 -6.817 2.795
49 HH22 ARG 4 2HH2 ARG 4 -4.560 -7.269 4.316
50 H HIS 5 H HIS 5 -0.675 -3.496 -3.837
51 HA HIS 5 HA HIS 5 -3.566 -3.344 -4.033
52 HB2 HIS 5 2HB HIS 5 -1.370 -1.485 -4.170
53 HB3 HIS 5 3HB HIS 5 -2.397 -1.306 -5.590
54 HD1 HIS 5 HD1 HIS 5 -4.731 -0.326 -5.243
55 HD2 HIS 5 HD2 HIS 5 -2.608 -0.844 -1.710
56 HE1 HIS 5 HE1 HIS 5 -6.042 0.904 -3.485
57 H ILE 6 H ILE 6 -0.961 -4.520 -5.886
58 HA ILE 6 HA ILE 6 -2.555 -4.460 -8.354
59 HB ILE 6 HB ILE 6 -0.266 -3.556 -8.522
60 HG12 ILE 6 2HG1 ILE 6 0.291 -4.637 -10.561
61 HG13 ILE 6 3HG1 ILE 6 -0.410 -6.162 -10.032
62 HG21 ILE 6 1HG2 ILE 6 0.514 -5.390 -6.783
63 HG22 ILE 6 2HG2 ILE 6 0.902 -6.274 -8.258
64 HG23 ILE 6 3HG2 ILE 6 1.629 -4.695 -7.959
65 HD11 ILE 6 1HD1 ILE 6 -1.761 -4.977 -11.723
66 HD12 ILE 6 2HD1 ILE 6 -2.626 -5.263 -10.213
67 HD13 ILE 6 3HD1 ILE 6 -1.987 -3.659 -10.574
68 H SER 7 H SER 7 -1.000 -6.582 -6.045
69 HA SER 7 HA SER 7 -1.013 -8.997 -7.361
70 HB2 SER 7 2HB SER 7 -0.049 -9.033 -5.229
71 HB3 SER 7 3HB SER 7 -1.451 -8.269 -4.478
72 HG SER 7 HG SER 7 -1.176 -10.604 -4.128
73 H GLU 8 H GLU 8 -3.698 -7.446 -5.641
74 HA GLU 8 HA GLU 8 -5.528 -9.581 -6.240
75 HB2 GLU 8 2HB GLU 8 -5.844 -8.319 -4.203
76 HB3 GLU 8 3HB GLU 8 -5.956 -6.815 -5.105
77 HG2 GLU 8 2HG GLU 8 -7.926 -8.424 -6.207
78 HG3 GLU 8 3HG GLU 8 -8.002 -8.751 -4.476
79 H GLN 9 H GLN 9 -4.761 -6.422 -7.567
80 HA GLN 9 HA GLN 9 -6.987 -6.249 -9.316
81 HB2 GLN 9 2HB GLN 9 -4.946 -4.557 -8.554
82 HB3 GLN 9 3HB GLN 9 -4.563 -4.897 -10.236
83 HG2 GLN 9 2HG GLN 9 -5.994 -3.294 -10.769
84 HG3 GLN 9 3HG GLN 9 -7.279 -4.392 -10.266
85 HE21 GLN 9 1HE2 GLN 9 -8.706 -3.144 -9.264
86 HE22 GLN 9 2HE2 GLN 9 -8.356 -2.065 -7.961
87 H LEU 10 H LEU 10 -3.558 -6.945 -10.025
88 HA LEU 10 HA LEU 10 -3.820 -7.629 -12.681
89 HB2 LEU 10 2HB LEU 10 -1.748 -8.814 -12.476
90 HB3 LEU 10 3HB LEU 10 -1.685 -7.367 -11.473
91 HG LEU 10 HG LEU 10 -2.423 -9.092 -9.595
92 HD11 LEU 10 1HD1 LEU 10 -2.258 -11.240 -10.114
93 HD12 LEU 10 2HD1 LEU 10 -0.607 -11.013 -10.689
94 HD13 LEU 10 3HD1 LEU 10 -1.964 -10.785 -11.792
95 HD21 LEU 10 1HD2 LEU 10 -0.507 -7.938 -9.127
96 HD22 LEU 10 2HD2 LEU 10 0.244 -8.334 -10.673
97 HD23 LEU 10 3HD2 LEU 10 0.168 -9.546 -9.393
98 H ARG 11 H ARG 11 -4.726 -9.442 -9.866
99 HA ARG 11 HA ARG 11 -4.882 -12.000 -11.092
100 HB2 ARG 11 2HB ARG 11 -4.761 -11.924 -8.716
101 HB3 ARG 11 3HB ARG 11 -6.139 -10.837 -8.612
102 HG2 ARG 11 2HG ARG 11 -7.597 -12.518 -8.605
103 HG3 ARG 11 3HG ARG 11 -6.784 -13.341 -9.938
104 HD2 ARG 11 2HD ARG 11 -5.216 -14.353 -8.454
105 HD3 ARG 11 3HD ARG 11 -5.766 -13.362 -7.104
106 HE ARG 11 HE ARG 11 -7.844 -14.993 -8.211
107 HH11 ARG 11 1HH1 ARG 11 -5.145 -14.942 -6.012
108 HH12 ARG 11 2HH1 ARG 11 -5.748 -16.241 -5.037
109 HH21 ARG 11 1HH2 ARG 11 -8.648 -16.703 -6.934
110 HH22 ARG 11 2HH2 ARG 11 -7.740 -17.242 -5.562
111 H ARG 12 H ARG 12 -7.221 -9.399 -10.562
112 HA ARG 12 HA ARG 12 -9.446 -10.831 -11.613
113 HB2 ARG 12 2HB ARG 12 -8.934 -7.916 -11.056
114 HB3 ARG 12 3HB ARG 12 -10.436 -8.471 -11.783
115 HG2 ARG 12 2HG ARG 12 -9.553 -9.802 -9.287
116 HG3 ARG 12 3HG ARG 12 -10.156 -8.148 -9.170
117 HD2 ARG 12 2HD ARG 12 -11.751 -10.028 -10.801
118 HD3 ARG 12 3HD ARG 12 -11.741 -10.310 -9.060
119 HE ARG 12 HE ARG 12 -13.120 -8.249 -10.433
120 HH11 ARG 12 1HH1 ARG 12 -11.367 -8.911 -7.499
121 HH12 ARG 12 2HH1 ARG 12 -12.201 -7.706 -6.574
122 HH21 ARG 12 1HH2 ARG 12 -14.225 -6.659 -9.226
123 HH22 ARG 12 2HH2 ARG 12 -13.827 -6.427 -7.558
124 H ARG 13 H ARG 13 -9.062 -7.746 -13.043
125 HA ARG 13 HA ARG 13 -8.460 -8.990 -15.646
126 HB2 ARG 13 2HB ARG 13 -10.003 -7.444 -16.710
127 HB3 ARG 13 3HB ARG 13 -10.839 -8.369 -15.470
128 HG2 ARG 13 2HG ARG 13 -10.113 -6.217 -14.032
129 HG3 ARG 13 3HG ARG 13 -10.278 -5.485 -15.629
130 HD2 ARG 13 2HD ARG 13 -12.404 -7.275 -14.500
131 HD3 ARG 13 3HD ARG 13 -12.343 -5.559 -14.098
132 HE ARG 13 HE ARG 13 -12.221 -5.678 -16.841
133 HH11 ARG 13 1HH1 ARG 13 -14.437 -6.734 -14.372
134 HH12 ARG 13 2HH1 ARG 13 -15.837 -6.581 -15.380
135 HH21 ARG 13 1HH2 ARG 13 -14.057 -5.473 -18.178
136 HH22 ARG 13 2HH2 ARG 13 -15.620 -5.865 -17.546
137 H ASP 14 H ASP 14 -7.790 -6.509 -13.386
138 HA ASP 14 HA ASP 14 -6.501 -4.711 -15.216
139 HB2 ASP 14 2HB ASP 14 -6.820 -4.880 -12.251
140 HB3 ASP 14 3HB ASP 14 -5.535 -3.866 -12.899
141 H ARG 15 H ARG 15 -5.370 -6.902 -15.976
142 HA ARG 15 HA ARG 15 -3.028 -7.610 -14.463
143 HB2 ARG 15 2HB ARG 15 -2.491 -9.027 -16.427
144 HB3 ARG 15 3HB ARG 15 -4.108 -9.313 -15.796
145 HG2 ARG 15 2HG ARG 15 -5.120 -8.556 -17.663
146 HG3 ARG 15 3HG ARG 15 -3.895 -7.320 -17.957
147 HD2 ARG 15 2HD ARG 15 -2.982 -8.624 -19.504
148 HD3 ARG 15 3HD ARG 15 -2.633 -9.825 -18.261
149 HE ARG 15 HE ARG 15 -4.293 -11.112 -19.138
150 HH11 ARG 15 1HH1 ARG 15 -4.854 -7.806 -20.072
151 HH12 ARG 15 2HH1 ARG 15 -6.216 -8.183 -21.074
152 HH21 ARG 15 1HH2 ARG 15 -6.084 -11.622 -20.455
153 HH22 ARG 15 2HH2 ARG 15 -6.915 -10.354 -21.291
154 H LEU 16 H LEU 16 -2.637 -5.072 -14.583
155 HA LEU 16 HA LEU 16 -1.607 -3.820 -16.810
156 HB2 LEU 16 2HB LEU 16 -0.837 -2.207 -15.400
157 HB3 LEU 16 3HB LEU 16 -1.976 -3.026 -14.334
158 HG LEU 16 HG LEU 16 0.181 -4.377 -13.634
159 HD11 LEU 16 1HD1 LEU 16 1.218 -1.949 -15.006
160 HD12 LEU 16 2HD1 LEU 16 1.880 -3.582 -14.943
161 HD13 LEU 16 3HD1 LEU 16 2.030 -2.515 -13.546
162 HD21 LEU 16 1HD2 LEU 16 0.315 -3.034 -11.729
163 HD22 LEU 16 2HD2 LEU 16 -1.332 -2.785 -12.309
164 HD23 LEU 16 3HD2 LEU 16 -0.093 -1.568 -12.620
165 H GLN 17 H GLN 17 -0.147 -6.263 -14.804
166 HA GLN 17 HA GLN 17 2.537 -5.969 -15.360
167 HB2 GLN 17 2HB GLN 17 1.099 -7.799 -14.011
168 HB3 GLN 17 3HB GLN 17 1.482 -8.738 -15.447
169 HG2 GLN 17 2HG GLN 17 3.655 -8.925 -14.911
170 HG3 GLN 17 3HG GLN 17 3.741 -7.297 -14.241
171 HE21 GLN 17 1HE2 GLN 17 3.689 -10.561 -13.542
172 HE22 GLN 17 2HE2 GLN 17 3.399 -10.463 -11.842
173 H ARG 18 H ARG 18 0.161 -7.850 -17.234
174 HA ARG 18 HA ARG 18 2.034 -8.397 -19.335
175 HB2 ARG 18 2HB ARG 18 -0.972 -8.682 -19.422
176 HB3 ARG 18 3HB ARG 18 0.204 -9.490 -20.450
177 HG2 ARG 18 2HG ARG 18 0.072 -9.890 -17.474
178 HG3 ARG 18 3HG ARG 18 -0.804 -10.894 -18.632
179 HD2 ARG 18 2HD ARG 18 1.056 -12.161 -18.553
180 HD3 ARG 18 3HD ARG 18 1.674 -10.970 -19.696
181 HE ARG 18 HE ARG 18 2.175 -10.097 -17.068
182 HH11 ARG 18 1HH1 ARG 18 3.205 -12.511 -19.355
183 HH12 ARG 18 2HH1 ARG 18 4.804 -12.637 -18.700
184 HH21 ARG 18 1HH2 ARG 18 4.277 -10.255 -16.195
185 HH22 ARG 18 2HH2 ARG 18 5.412 -11.354 -16.902
186 H GLN 19 H GLN 19 -0.265 -5.905 -18.636
187 HA GLN 19 HA GLN 19 -0.667 -4.928 -21.255
188 HB2 GLN 19 2HB GLN 19 -1.747 -4.355 -18.841
189 HB3 GLN 19 3HB GLN 19 -0.682 -2.969 -19.041
190 HG2 GLN 19 2HG GLN 19 -2.004 -2.037 -20.568
191 HG3 GLN 19 3HG GLN 19 -2.228 -3.558 -21.430
192 HE21 GLN 19 1HE2 GLN 19 -3.969 -4.861 -20.936
193 HE22 GLN 19 2HE2 GLN 19 -5.296 -4.318 -19.972
194 H ALA 20 H ALA 20 1.459 -3.714 -18.659
195 HA ALA 20 HA ALA 20 3.418 -2.557 -18.714
196 HB1 ALA 20 1HB ALA 20 4.892 -3.680 -19.930
197 HB2 ALA 20 2HB ALA 20 3.573 -4.431 -20.828
198 HB3 ALA 20 3HB ALA 20 4.281 -2.921 -21.400
Start of MODEL 20
1 H1 ARG 1 H ARG 1 1.886 -0.069 1.001
2 HA ARG 1 HA ARG 1 2.792 1.121 -1.205
3 HB2 ARG 1 2HB ARG 1 3.360 -1.329 0.114
4 HB3 ARG 1 3HB ARG 1 3.351 -1.653 -1.615
5 HG2 ARG 1 2HG ARG 1 5.420 -0.875 -1.702
6 HG3 ARG 1 3HG ARG 1 4.784 0.725 -1.314
7 HD2 ARG 1 2HD ARG 1 5.307 -1.236 0.878
8 HD3 ARG 1 3HD ARG 1 6.652 -0.347 0.165
9 HE ARG 1 HE ARG 1 4.834 1.585 0.751
10 HH11 ARG 1 1HH1 ARG 1 6.356 -0.955 2.582
11 HH12 ARG 1 2HH1 ARG 1 6.306 -0.084 4.079
12 HH21 ARG 1 1HH2 ARG 1 4.762 2.741 2.716
13 HH22 ARG 1 2HH2 ARG 1 5.398 2.018 4.154
14 H TRP 2 H TRP 2 3.147 -0.218 -3.428
15 HA TRP 2 HA TRP 2 0.528 -0.197 -4.656
16 HB2 TRP 2 2HB TRP 2 2.403 0.899 -5.787
17 HB3 TRP 2 3HB TRP 2 3.272 -0.632 -5.857
18 HD1 TRP 2 HD1 TRP 2 2.670 -2.285 -7.800
19 HE1 TRP 2 HE1 TRP 2 1.146 -2.116 -9.867
20 HE3 TRP 2 HE3 TRP 2 0.113 1.971 -6.578
21 HZ2 TRP 2 HZ2 TRP 2 -0.873 -0.405 -10.850
22 HZ3 TRP 2 HZ3 TRP 2 -1.597 2.807 -8.136
23 HH2 TRP 2 HH2 TRP 2 -2.078 1.642 -10.228
24 H LYS 3 H LYS 3 2.691 -2.519 -3.398
25 HA LYS 3 HA LYS 3 2.137 -4.740 -5.020
26 HB2 LYS 3 2HB LYS 3 3.081 -6.068 -3.300
27 HB3 LYS 3 3HB LYS 3 3.936 -4.532 -3.246
28 HG2 LYS 3 2HG LYS 3 2.584 -3.823 -1.355
29 HG3 LYS 3 3HG LYS 3 1.677 -5.336 -1.423
30 HD2 LYS 3 2HD LYS 3 4.636 -5.501 -1.213
31 HD3 LYS 3 3HD LYS 3 3.737 -4.996 0.219
32 HE2 LYS 3 2HE LYS 3 2.314 -7.029 -0.054
33 HE3 LYS 3 3HE LYS 3 3.391 -7.547 -1.350
34 HZ1 LYS 3 1HZ LYS 3 3.802 -8.436 0.996
35 HZ2 LYS 3 2HZ LYS 3 4.446 -6.908 1.331
36 HZ3 LYS 3 3HZ LYS 3 5.135 -7.870 0.122
37 H ARG 4 H ARG 4 0.417 -3.359 -2.281
38 HA ARG 4 HA ARG 4 -1.446 -5.528 -2.060
39 HB2 ARG 4 2HB ARG 4 -1.033 -4.264 -0.083
40 HB3 ARG 4 3HB ARG 4 -1.373 -2.746 -0.902
41 HG2 ARG 4 2HG ARG 4 -3.577 -2.919 -0.568
42 HG3 ARG 4 3HG ARG 4 -3.596 -4.644 -0.939
43 HD2 ARG 4 2HD ARG 4 -2.571 -5.034 1.323
44 HD3 ARG 4 3HD ARG 4 -2.855 -3.328 1.666
45 HE ARG 4 HE ARG 4 -5.259 -4.481 0.810
46 HH11 ARG 4 1HH1 ARG 4 -3.056 -4.605 3.502
47 HH12 ARG 4 2HH1 ARG 4 -4.280 -5.028 4.653
48 HH21 ARG 4 1HH2 ARG 4 -6.880 -5.039 2.315
49 HH22 ARG 4 2HH2 ARG 4 -6.455 -5.276 3.976
50 H HIS 5 H HIS 5 -1.260 -2.560 -3.856
51 HA HIS 5 HA HIS 5 -4.065 -2.612 -4.594
52 HB2 HIS 5 2HB HIS 5 -1.850 -0.714 -4.800
53 HB3 HIS 5 3HB HIS 5 -2.839 -0.777 -6.256
54 HD1 HIS 5 HD1 HIS 5 -2.601 1.140 -3.368
55 HD2 HIS 5 HD2 HIS 5 -5.795 -0.730 -5.256
56 HE1 HIS 5 HE1 HIS 5 -4.658 2.328 -2.544
57 H ILE 6 H ILE 6 -1.080 -3.834 -5.764
58 HA ILE 6 HA ILE 6 -2.165 -4.274 -8.448
59 HB ILE 6 HB ILE 6 0.139 -3.384 -8.245
60 HG12 ILE 6 2HG1 ILE 6 -0.471 -5.983 -9.585
61 HG13 ILE 6 3HG1 ILE 6 -0.143 -4.407 -10.296
62 HG21 ILE 6 1HG2 ILE 6 0.532 -4.871 -6.144
63 HG22 ILE 6 2HG2 ILE 6 1.058 -6.071 -7.323
64 HG23 ILE 6 3HG2 ILE 6 1.876 -4.512 -7.228
65 HD11 ILE 6 1HD1 ILE 6 1.839 -6.345 -9.141
66 HD12 ILE 6 2HD1 ILE 6 1.678 -5.828 -10.820
67 HD13 ILE 6 3HD1 ILE 6 2.239 -4.689 -9.596
68 H SER 7 H SER 7 -1.041 -6.005 -5.597
69 HA SER 7 HA SER 7 -0.950 -8.596 -6.544
70 HB2 SER 7 2HB SER 7 -1.625 -7.414 -3.873
71 HB3 SER 7 3HB SER 7 -1.802 -9.151 -4.123
72 HG SER 7 HG SER 7 0.280 -9.333 -4.004
73 H GLU 8 H GLU 8 -3.758 -6.723 -5.497
74 HA GLU 8 HA GLU 8 -5.580 -8.918 -5.899
75 HB2 GLU 8 2HB GLU 8 -6.070 -7.278 -4.178
76 HB3 GLU 8 3HB GLU 8 -6.062 -5.982 -5.367
77 HG2 GLU 8 2HG GLU 8 -7.927 -7.783 -6.339
78 HG3 GLU 8 3HG GLU 8 -8.192 -7.775 -4.596
79 H GLN 9 H GLN 9 -4.530 -6.082 -7.679
80 HA GLN 9 HA GLN 9 -6.530 -6.246 -9.702
81 HB2 GLN 9 2HB GLN 9 -4.733 -4.344 -8.972
82 HB3 GLN 9 3HB GLN 9 -3.950 -4.999 -10.404
83 HG2 GLN 9 2HG GLN 9 -5.227 -3.638 -11.594
84 HG3 GLN 9 3HG GLN 9 -6.587 -4.678 -11.173
85 HE21 GLN 9 1HE2 GLN 9 -7.514 -4.171 -8.936
86 HE22 GLN 9 2HE2 GLN 9 -7.764 -2.497 -8.589
87 H LEU 10 H LEU 10 -3.031 -6.944 -9.812
88 HA LEU 10 HA LEU 10 -3.014 -8.140 -12.329
89 HB2 LEU 10 2HB LEU 10 -0.859 -8.939 -11.809
90 HB3 LEU 10 3HB LEU 10 -1.035 -7.401 -10.967
91 HG LEU 10 HG LEU 10 -1.740 -9.014 -8.974
92 HD11 LEU 10 1HD1 LEU 10 -0.773 -10.813 -10.962
93 HD12 LEU 10 2HD1 LEU 10 -1.369 -11.166 -9.341
94 HD13 LEU 10 3HD1 LEU 10 0.340 -10.813 -9.594
95 HD21 LEU 10 1HD2 LEU 10 0.905 -8.037 -9.919
96 HD22 LEU 10 2HD2 LEU 10 0.858 -9.120 -8.527
97 HD23 LEU 10 3HD2 LEU 10 -0.021 -7.590 -8.486
98 H ARG 11 H ARG 11 -4.190 -9.319 -9.335
99 HA ARG 11 HA ARG 11 -4.014 -12.114 -10.039
100 HB2 ARG 11 2HB ARG 11 -3.862 -11.616 -7.713
101 HB3 ARG 11 3HB ARG 11 -5.321 -10.635 -7.760
102 HG2 ARG 11 2HG ARG 11 -6.631 -12.395 -7.402
103 HG3 ARG 11 3HG ARG 11 -5.805 -13.358 -8.629
104 HD2 ARG 11 2HD ARG 11 -4.573 -14.432 -7.105
105 HD3 ARG 11 3HD ARG 11 -4.192 -12.941 -6.244
106 HE ARG 11 HE ARG 11 -6.771 -13.435 -5.560
107 HH11 ARG 11 1HH1 ARG 11 -3.839 -15.308 -5.451
108 HH12 ARG 11 2HH1 ARG 11 -4.327 -16.234 -4.070
109 HH21 ARG 11 1HH2 ARG 11 -7.426 -14.647 -3.743
110 HH22 ARG 11 2HH2 ARG 11 -6.368 -15.858 -3.100
111 H ARG 12 H ARG 12 -6.423 -9.562 -10.106
112 HA ARG 12 HA ARG 12 -8.749 -10.996 -10.465
113 HB2 ARG 12 2HB ARG 12 -7.847 -8.360 -11.605
114 HB3 ARG 12 3HB ARG 12 -9.452 -9.004 -11.925
115 HG2 ARG 12 2HG ARG 12 -8.871 -9.089 -9.109
116 HG3 ARG 12 3HG ARG 12 -8.644 -7.460 -9.750
117 HD2 ARG 12 2HD ARG 12 -10.911 -7.622 -9.066
118 HD3 ARG 12 3HD ARG 12 -10.903 -7.684 -10.828
119 HE ARG 12 HE ARG 12 -11.711 -9.828 -10.728
120 HH11 ARG 12 1HH1 ARG 12 -10.577 -8.870 -7.579
121 HH12 ARG 12 2HH1 ARG 12 -11.229 -10.261 -6.777
122 HH21 ARG 12 1HH2 ARG 12 -12.574 -11.663 -9.684
123 HH22 ARG 12 2HH2 ARG 12 -12.363 -11.849 -7.976
124 H ARG 13 H ARG 13 -7.404 -9.366 -13.294
125 HA ARG 13 HA ARG 13 -7.747 -11.867 -14.815
126 HB2 ARG 13 2HB ARG 13 -8.338 -9.045 -15.726
127 HB3 ARG 13 3HB ARG 13 -8.409 -10.470 -16.752
128 HG2 ARG 13 2HG ARG 13 -10.003 -10.720 -14.326
129 HG3 ARG 13 3HG ARG 13 -10.504 -9.386 -15.367
130 HD2 ARG 13 2HD ARG 13 -9.996 -12.127 -16.475
131 HD3 ARG 13 3HD ARG 13 -11.550 -11.704 -15.757
132 HE ARG 13 HE ARG 13 -10.526 -10.849 -18.302
133 HH11 ARG 13 1HH1 ARG 13 -12.717 -10.104 -15.701
134 HH12 ARG 13 2HH1 ARG 13 -13.761 -9.133 -16.685
135 HH21 ARG 13 1HH2 ARG 13 -11.893 -9.572 -19.608
136 HH22 ARG 13 2HH2 ARG 13 -13.292 -8.832 -18.907
137 H ASP 14 H ASP 14 -6.802 -9.414 -16.822
138 HA ASP 14 HA ASP 14 -3.943 -10.024 -16.454
139 HB2 ASP 14 2HB ASP 14 -3.973 -9.583 -19.076
140 HB3 ASP 14 3HB ASP 14 -4.292 -11.179 -18.403
141 H ARG 15 H ARG 15 -3.977 -8.026 -15.183
142 HA ARG 15 HA ARG 15 -4.433 -5.547 -16.611
143 HB2 ARG 15 2HB ARG 15 -3.518 -6.160 -13.801
144 HB3 ARG 15 3HB ARG 15 -3.648 -4.524 -14.433
145 HG2 ARG 15 2HG ARG 15 -5.900 -6.507 -14.172
146 HG3 ARG 15 3HG ARG 15 -5.607 -5.114 -13.129
147 HD2 ARG 15 2HD ARG 15 -6.409 -5.137 -16.027
148 HD3 ARG 15 3HD ARG 15 -7.289 -4.459 -14.658
149 HE ARG 15 HE ARG 15 -5.131 -3.230 -16.123
150 HH11 ARG 15 1HH1 ARG 15 -6.952 -3.274 -13.156
151 HH12 ARG 15 2HH1 ARG 15 -6.564 -1.637 -12.741
152 HH21 ARG 15 1HH2 ARG 15 -4.613 -1.074 -15.588
153 HH22 ARG 15 2HH2 ARG 15 -5.234 -0.386 -14.125
154 H LEU 16 H LEU 16 -1.698 -6.216 -14.479
155 HA LEU 16 HA LEU 16 0.077 -4.913 -16.374
156 HB2 LEU 16 2HB LEU 16 0.830 -6.073 -13.707
157 HB3 LEU 16 3HB LEU 16 1.661 -4.818 -14.623
158 HG LEU 16 HG LEU 16 -0.871 -4.599 -13.021
159 HD11 LEU 16 1HD1 LEU 16 1.514 -4.298 -12.081
160 HD12 LEU 16 2HD1 LEU 16 0.294 -3.078 -11.717
161 HD13 LEU 16 3HD1 LEU 16 1.498 -2.773 -12.968
162 HD21 LEU 16 1HD2 LEU 16 -0.534 -2.107 -13.976
163 HD22 LEU 16 2HD2 LEU 16 -1.628 -3.290 -14.695
164 HD23 LEU 16 3HD2 LEU 16 -0.019 -3.046 -15.378
165 H GLN 17 H GLN 17 -0.459 -8.092 -14.975
166 HA GLN 17 HA GLN 17 1.831 -9.430 -15.686
167 HB2 GLN 17 2HB GLN 17 0.337 -11.454 -15.949
168 HB3 GLN 17 3HB GLN 17 0.193 -10.592 -14.424
169 HG2 GLN 17 2HG GLN 17 -1.937 -10.013 -14.801
170 HG3 GLN 17 3HG GLN 17 -1.658 -9.701 -16.514
171 HE21 GLN 17 1HE2 GLN 17 -2.441 -12.104 -14.123
172 HE22 GLN 17 2HE2 GLN 17 -3.009 -13.307 -15.226
173 H ARG 18 H ARG 18 -0.828 -8.423 -17.735
174 HA ARG 18 HA ARG 18 0.202 -9.855 -20.035
175 HB2 ARG 18 2HB ARG 18 -2.172 -9.730 -19.905
176 HB3 ARG 18 3HB ARG 18 -2.134 -7.993 -19.631
177 HG2 ARG 18 2HG ARG 18 -2.127 -7.551 -21.810
178 HG3 ARG 18 3HG ARG 18 -0.866 -8.743 -22.130
179 HD2 ARG 18 2HD ARG 18 -2.371 -10.429 -22.532
180 HD3 ARG 18 3HD ARG 18 -3.617 -9.702 -21.518
181 HE ARG 18 HE ARG 18 -4.404 -8.609 -23.358
182 HH11 ARG 18 1HH1 ARG 18 -1.136 -9.633 -23.980
183 HH12 ARG 18 2HH1 ARG 18 -1.158 -9.138 -25.641
184 HH21 ARG 18 1HH2 ARG 18 -4.446 -7.953 -25.543
185 HH22 ARG 18 2HH2 ARG 18 -3.041 -8.182 -26.528
186 H GLN 19 H GLN 19 -0.019 -6.522 -18.883
187 HA GLN 19 HA GLN 19 0.968 -5.256 -21.185
188 HB2 GLN 19 2HB GLN 19 0.735 -4.531 -18.306
189 HB3 GLN 19 3HB GLN 19 1.778 -3.542 -19.320
190 HG2 GLN 19 2HG GLN 19 -0.673 -3.944 -20.693
191 HG3 GLN 19 3HG GLN 19 -1.034 -3.439 -19.043
192 HE21 GLN 19 1HE2 GLN 19 -0.004 -2.471 -22.122
193 HE22 GLN 19 2HE2 GLN 19 0.351 -0.822 -21.751
194 H ALA 20 H ALA 20 2.723 -5.961 -18.157
195 HA ALA 20 HA ALA 20 5.256 -5.677 -19.564
196 HB1 ALA 20 1HB ALA 20 4.985 -6.384 -16.666
197 HB2 ALA 20 2HB ALA 20 6.281 -5.510 -17.483
198 HB3 ALA 20 3HB ALA 20 4.717 -4.734 -17.229
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