Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
23745 | 2jy0 RC | 15579 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1HT MET 1 -20.825 -9.684 2.017
2 H2 MET 1 2HT MET 1 -20.275 -11.237 1.606
3 H3 MET 1 3HT MET 1 -21.720 -10.638 0.940
4 HA MET 1 HA MET 1 -18.952 -9.687 0.385
5 HB2 MET 1 2HB MET 1 -20.085 -11.833 -0.619
6 HB3 MET 1 1HB MET 1 -21.037 -10.685 -1.557
7 HG2 MET 1 2HG MET 1 -18.266 -9.903 -1.641
8 HG3 MET 1 1HG MET 1 -18.408 -11.600 -2.100
9 HE1 MET 1 2HE MET 1 -17.567 -8.874 -3.778
10 HE2 MET 1 3HE MET 1 -18.863 -7.977 -2.993
11 HE3 MET 1 1HE MET 1 -18.859 -8.183 -4.754
12 H ASP 2 H ASP 2 -19.623 -7.551 1.205
13 HA ASP 2 HA ASP 2 -20.862 -5.886 -0.882
14 HB2 ASP 2 2HB ASP 2 -22.608 -5.044 0.717
15 HB3 ASP 2 1HB ASP 2 -22.822 -6.738 0.284
16 H ARG 3 H ARG 3 -20.961 -3.517 0.020
17 HA ARG 3 HA ARG 3 -19.830 -1.651 0.851
18 HB2 ARG 3 2HB ARG 3 -20.222 -3.502 2.927
19 HB3 ARG 3 1HB ARG 3 -18.555 -2.965 3.112
20 HG2 ARG 3 2HG ARG 3 -19.333 -0.602 2.996
21 HG3 ARG 3 1HG ARG 3 -20.998 -1.182 2.912
22 HD2 ARG 3 2HD ARG 3 -20.588 -2.403 5.098
23 HD3 ARG 3 1HD ARG 3 -19.051 -1.526 5.216
24 HE ARG 3 HE ARG 3 -21.693 -0.366 5.604
25 HH11 ARG 3 1HH2 ARG 3 -18.699 0.322 6.505
26 HH12 ARG 3 2HH2 ARG 3 -18.629 1.962 5.955
27 HH21 ARG 3 1HH1 ARG 3 -21.521 1.704 4.024
28 HH22 ARG 3 2HH1 ARG 3 -20.246 2.753 4.542
29 H GLU 4 H GLU 4 -18.446 -2.102 -1.149
30 HA GLU 4 HA GLU 4 -15.803 -3.281 -0.864
31 HB2 GLU 4 2HB GLU 4 -17.457 -2.662 -2.920
32 HB3 GLU 4 1HB GLU 4 -16.374 -1.272 -2.985
33 HG2 GLU 4 2HG GLU 4 -15.308 -4.092 -2.811
34 HG3 GLU 4 1HG GLU 4 -15.710 -3.351 -4.359
35 H MET 5 H MET 5 -17.026 0.087 -0.924
36 HA MET 5 HA MET 5 -14.507 1.429 -0.693
37 HB2 MET 5 2HB MET 5 -16.924 2.273 -1.208
38 HB3 MET 5 1HB MET 5 -17.081 2.401 0.544
39 HG2 MET 5 2HG MET 5 -16.320 4.538 -0.101
40 HG3 MET 5 1HG MET 5 -14.856 3.723 0.448
41 HE1 MET 5 3HE MET 5 -13.287 4.920 -0.418
42 HE2 MET 5 1HE MET 5 -12.765 5.080 -2.104
43 HE3 MET 5 2HE MET 5 -12.623 3.533 -1.277
44 H ALA 6 H ALA 6 -16.609 -0.090 1.718
45 HA ALA 6 HA ALA 6 -15.471 1.029 4.100
46 HB1 ALA 6 1HB ALA 6 -16.871 -1.583 3.468
47 HB2 ALA 6 2HB ALA 6 -17.592 -0.112 4.121
48 HB3 ALA 6 3HB ALA 6 -16.487 -1.066 5.110
49 H ALA 7 H ALA 7 -14.481 -1.712 2.049
50 HA ALA 7 HA ALA 7 -12.487 -2.729 3.927
51 HB1 ALA 7 1HB ALA 7 -11.937 -4.209 2.079
52 HB2 ALA 7 2HB ALA 7 -12.784 -3.162 0.940
53 HB3 ALA 7 3HB ALA 7 -13.691 -4.051 2.165
54 H SER 8 H SER 8 -12.512 -0.309 1.359
55 HA SER 8 HA SER 8 -9.688 -0.179 0.836
56 HB2 SER 8 2HB SER 8 -11.482 0.757 -0.592
57 HB3 SER 8 1HB SER 8 -11.859 1.933 0.660
58 HG SER 8 HG SER 8 -10.154 3.055 0.085
59 H ALA 9 H ALA 9 -8.323 1.738 1.428
60 HA ALA 9 HA ALA 9 -7.177 3.020 3.014
61 HB1 ALA 9 1HB ALA 9 -9.798 3.573 4.356
62 HB2 ALA 9 2HB ALA 9 -9.563 4.097 2.689
63 HB3 ALA 9 3HB ALA 9 -8.488 4.684 3.957
64 H GLY 10 H GLY 10 -7.729 0.117 3.671
65 HA2 GLY 10 2HA GLY 10 -6.767 0.170 6.409
66 HA3 GLY 10 1HA GLY 10 -8.428 -0.414 6.308
67 H GLY 11 H GLY 11 -5.451 -0.914 4.371
68 HA2 GLY 11 2HA GLY 11 -4.841 -3.538 5.000
69 HA3 GLY 11 1HA GLY 11 -6.145 -3.692 3.822
70 H ALA 12 H ALA 12 -5.770 -2.022 1.878
71 HA ALA 12 HA ALA 12 -3.476 -2.909 0.408
72 HB1 ALA 12 1HB ALA 12 -5.625 -2.037 -0.529
73 HB2 ALA 12 2HB ALA 12 -4.213 -1.234 -1.218
74 HB3 ALA 12 3HB ALA 12 -5.172 -0.422 0.020
75 H VAL 13 H VAL 13 -4.094 0.120 2.206
76 HA VAL 13 HA VAL 13 -1.682 1.508 1.556
77 HB VAL 13 HB VAL 13 -3.322 1.549 4.122
78 HG11 VAL 13 1HG1 VAL 13 -1.469 3.603 2.870
79 HG12 VAL 13 2HG1 VAL 13 -1.195 2.725 4.376
80 HG13 VAL 13 3HG1 VAL 13 -2.504 3.901 4.268
81 HG21 VAL 13 3HG2 VAL 13 -3.759 2.681 1.389
82 HG22 VAL 13 1HG2 VAL 13 -4.176 3.706 2.762
83 HG23 VAL 13 2HG2 VAL 13 -4.940 2.128 2.577
84 H PHE 14 H PHE 14 -2.430 -0.852 4.124
85 HA PHE 14 HA PHE 14 0.090 -0.734 5.507
86 HB2 PHE 14 2HB PHE 14 -2.219 -1.744 6.161
87 HB3 PHE 14 1HB PHE 14 -1.684 -3.169 5.273
88 HD1 PHE 14 1HD PHE 14 -0.970 -0.968 8.168
89 HD2 PHE 14 2HD PHE 14 0.058 -4.605 6.123
90 HE1 PHE 14 1HE PHE 14 0.364 -1.694 10.129
91 HE2 PHE 14 2HE PHE 14 1.391 -5.329 8.086
92 HZ PHE 14 HZ PHE 14 1.545 -3.874 10.088
93 H VAL 15 H VAL 15 -1.091 -2.738 2.782
94 HA VAL 15 HA VAL 15 1.136 -4.524 2.580
95 HB VAL 15 HB VAL 15 -0.736 -3.390 0.465
96 HG11 VAL 15 1HG1 VAL 15 1.263 -4.433 -0.544
97 HG12 VAL 15 2HG1 VAL 15 -0.176 -5.409 -0.833
98 HG13 VAL 15 3HG1 VAL 15 0.982 -5.892 0.406
99 HG21 VAL 15 3HG2 VAL 15 -1.192 -5.139 2.671
100 HG22 VAL 15 1HG2 VAL 15 -1.248 -6.122 1.208
101 HG23 VAL 15 2HG2 VAL 15 -2.310 -4.724 1.374
102 H GLY 16 H GLY 16 0.542 -1.328 1.066
103 HA2 GLY 16 2HA GLY 16 2.993 -1.211 -0.424
104 HA3 GLY 16 1HA GLY 16 2.008 0.183 0.027
105 H LEU 17 H LEU 17 2.103 -0.236 2.871
106 HA LEU 17 HA LEU 17 4.507 1.157 3.587
107 HB2 LEU 17 2HB LEU 17 2.211 1.039 4.733
108 HB3 LEU 17 1HB LEU 17 2.740 -0.503 5.402
109 HG LEU 17 HG LEU 17 4.842 0.822 6.192
110 HD11 LEU 17 1HD1 LEU 17 4.218 3.229 6.702
111 HD12 LEU 17 2HD1 LEU 17 2.852 3.032 5.603
112 HD13 LEU 17 3HD1 LEU 17 4.501 2.883 4.996
113 HD21 LEU 17 3HD2 LEU 17 3.380 -0.023 7.851
114 HD22 LEU 17 1HD2 LEU 17 2.054 1.020 7.340
115 HD23 LEU 17 2HD2 LEU 17 3.440 1.706 8.188
116 H VAL 18 H VAL 18 3.558 -2.282 3.915
117 HA VAL 18 HA VAL 18 5.885 -3.234 5.279
118 HB VAL 18 HB VAL 18 3.854 -4.462 3.391
119 HG11 VAL 18 1HG1 VAL 18 6.233 -5.745 4.720
120 HG12 VAL 18 2HG1 VAL 18 5.624 -5.971 3.080
121 HG13 VAL 18 3HG1 VAL 18 4.758 -6.673 4.446
122 HG21 VAL 18 3HG2 VAL 18 4.317 -4.841 6.365
123 HG22 VAL 18 1HG2 VAL 18 2.941 -5.417 5.424
124 HG23 VAL 18 2HG2 VAL 18 3.167 -3.688 5.687
125 H LEU 19 H LEU 19 5.173 -2.859 1.800
126 HA LEU 19 HA LEU 19 7.627 -4.005 0.812
127 HB2 LEU 19 2HB LEU 19 5.350 -3.449 -0.338
128 HB3 LEU 19 1HB LEU 19 6.040 -1.844 -0.571
129 HG LEU 19 HG LEU 19 7.770 -4.151 -1.315
130 HD11 LEU 19 1HD1 LEU 19 5.465 -3.251 -3.066
131 HD12 LEU 19 2HD1 LEU 19 5.503 -4.774 -2.177
132 HD13 LEU 19 3HD1 LEU 19 6.676 -4.472 -3.458
133 HD21 LEU 19 3HD2 LEU 19 8.579 -2.628 -2.949
134 HD22 LEU 19 1HD2 LEU 19 8.266 -1.622 -1.534
135 HD23 LEU 19 2HD2 LEU 19 7.119 -1.643 -2.874
136 H LEU 20 H LEU 20 6.665 -0.633 1.577
137 HA LEU 20 HA LEU 20 9.051 0.661 0.670
138 HB2 LEU 20 2HB LEU 20 6.685 1.513 1.508
139 HB3 LEU 20 1HB LEU 20 7.514 1.623 3.061
140 HG LEU 20 HG LEU 20 9.364 2.886 1.754
141 HD11 LEU 20 1HD1 LEU 20 8.712 3.957 -0.289
142 HD12 LEU 20 2HD1 LEU 20 7.045 3.406 -0.124
143 HD13 LEU 20 3HD1 LEU 20 8.325 2.248 -0.485
144 HD21 LEU 20 3HD2 LEU 20 7.765 5.001 1.755
145 HD22 LEU 20 1HD2 LEU 20 8.203 4.215 3.271
146 HD23 LEU 20 2HD2 LEU 20 6.640 3.884 2.526
147 H THR 21 H THR 21 8.261 -0.909 3.770
148 HA THR 21 HA THR 21 10.585 -0.023 5.233
149 HB THR 21 HB THR 21 8.786 -2.466 5.462
150 HG1 THR 21 1HG THR 21 7.555 -0.788 5.955
151 HG21 THR 21 3HG2 THR 21 10.934 -2.847 6.620
152 HG22 THR 21 1HG2 THR 21 9.612 -2.652 7.771
153 HG23 THR 21 2HG2 THR 21 10.735 -1.323 7.485
154 H LEU 22 H LEU 22 9.935 -2.785 3.087
155 HA LEU 22 HA LEU 22 12.550 -4.039 3.507
156 HB2 LEU 22 2HB LEU 22 10.043 -4.510 1.990
157 HB3 LEU 22 1HB LEU 22 11.504 -5.163 1.253
158 HG LEU 22 HG LEU 22 11.990 -6.052 3.688
159 HD11 LEU 22 1HD1 LEU 22 8.965 -6.011 3.723
160 HD12 LEU 22 2HD1 LEU 22 9.931 -4.794 4.554
161 HD13 LEU 22 3HD1 LEU 22 10.061 -6.489 5.018
162 HD21 LEU 22 3HD2 LEU 22 11.589 -7.446 1.672
163 HD22 LEU 22 1HD2 LEU 22 9.850 -7.279 1.913
164 HD23 LEU 22 2HD2 LEU 22 10.827 -8.143 3.101
165 H SER 23 H SER 23 10.986 -2.278 0.778
166 HA SER 23 HA SER 23 13.601 -1.179 -0.048
167 HB2 SER 23 2HB SER 23 12.996 -3.634 -0.976
168 HB3 SER 23 1HB SER 23 12.132 -2.675 -2.170
169 HG SER 23 HG SER 23 13.995 -2.158 -2.997
170 HA PRO 24 HA PRO 24 10.335 1.777 -1.092
171 HB2 PRO 24 2HB PRO 24 11.915 3.994 -1.039
172 HB3 PRO 24 1HB PRO 24 11.259 3.223 0.417
173 HG2 PRO 24 2HG PRO 24 13.995 3.185 -0.656
174 HG3 PRO 24 1HG PRO 24 13.427 3.014 1.009
175 HD2 PRO 24 2HD PRO 24 14.274 0.949 -0.692
176 HD3 PRO 24 1HD PRO 24 13.455 0.772 0.872
177 H HIS 25 H HIS 25 12.127 0.326 -3.217
178 HA HIS 25 HA HIS 25 12.580 0.495 -5.500
179 HB2 HIS 25 2HB HIS 25 10.354 2.516 -5.111
180 HB3 HIS 25 1HB HIS 25 10.945 2.034 -6.698
181 HD1 HIS 25 1HD HIS 25 10.236 -0.257 -7.583
182 HD2 HIS 25 2HD HIS 25 9.058 0.380 -3.635
183 HE1 HIS 25 1HE HIS 25 8.677 -2.159 -6.987
184 H TYR 26 H TYR 26 14.719 1.440 -4.672
185 HA TYR 26 HA TYR 26 15.242 4.276 -4.766
186 HB2 TYR 26 2HB TYR 26 16.968 1.800 -5.013
187 HB3 TYR 26 1HB TYR 26 17.643 3.425 -4.981
188 HD1 TYR 26 1HD TYR 26 16.675 4.964 -2.996
189 HD2 TYR 26 2HD TYR 26 16.776 0.669 -2.990
190 HE1 TYR 26 1HE TYR 26 16.547 4.964 -0.521
191 HE2 TYR 26 2HE TYR 26 16.648 0.670 -0.516
192 HH TYR 26 HH TYR 26 17.410 2.818 1.361
193 H LYS 27 H LYS 27 16.414 5.448 -6.442
194 HA LYS 27 HA LYS 27 16.420 4.217 -9.167
195 HB2 LYS 27 2HB LYS 27 14.832 6.509 -8.113
196 HB3 LYS 27 1HB LYS 27 15.515 6.696 -9.728
197 HG2 LYS 27 2HG LYS 27 14.492 4.530 -10.390
198 HG3 LYS 27 1HG LYS 27 13.751 4.412 -8.794
199 HD2 LYS 27 2HD LYS 27 12.188 6.018 -9.243
200 HD3 LYS 27 1HD LYS 27 13.287 6.961 -10.247
201 HE2 LYS 27 2HE LYS 27 12.591 4.324 -11.391
202 HE3 LYS 27 1HE LYS 27 11.224 5.444 -11.246
203 HZ1 LYS 27 3HZ LYS 27 12.491 7.148 -12.351
204 HZ2 LYS 27 1HZ LYS 27 12.476 5.762 -13.326
205 HZ3 LYS 27 2HZ LYS 27 13.864 6.146 -12.424
Start of MODEL 2
1 H1 MET 1 1HT MET 1 -23.998 0.916 -1.970
2 H2 MET 1 2HT MET 1 -22.860 1.476 -0.840
3 H3 MET 1 3HT MET 1 -24.503 1.376 -0.418
4 HA MET 1 HA MET 1 -23.272 -0.465 0.571
5 HB2 MET 1 2HB MET 1 -25.410 -0.721 -1.490
6 HB3 MET 1 1HB MET 1 -24.669 -2.228 -0.955
7 HG2 MET 1 2HG MET 1 -25.202 -1.741 1.360
8 HG3 MET 1 1HG MET 1 -25.780 -0.133 0.932
9 HE1 MET 1 2HE MET 1 -26.789 -3.675 1.704
10 HE2 MET 1 3HE MET 1 -26.078 -3.865 0.105
11 HE3 MET 1 1HE MET 1 -27.804 -4.179 0.357
12 H ASP 2 H ASP 2 -21.002 -0.307 -0.125
13 HA ASP 2 HA ASP 2 -20.282 -1.700 -2.655
14 HB2 ASP 2 2HB ASP 2 -18.803 -0.009 -0.627
15 HB3 ASP 2 1HB ASP 2 -17.983 -0.826 -1.959
16 H ARG 3 H ARG 3 -19.442 -3.728 -2.661
17 HA ARG 3 HA ARG 3 -18.074 -4.918 -0.352
18 HB2 ARG 3 2HB ARG 3 -20.637 -5.027 0.018
19 HB3 ARG 3 1HB ARG 3 -20.652 -6.196 -1.302
20 HG2 ARG 3 2HG ARG 3 -19.786 -7.837 -0.008
21 HG3 ARG 3 1HG ARG 3 -18.572 -6.764 0.682
22 HD2 ARG 3 2HD ARG 3 -19.826 -7.106 2.588
23 HD3 ARG 3 1HD ARG 3 -20.776 -5.770 1.910
24 HE ARG 3 HE ARG 3 -21.534 -8.468 0.972
25 HH11 ARG 3 1HH1 ARG 3 -21.921 -7.789 4.021
26 HH12 ARG 3 2HH1 ARG 3 -23.601 -7.374 4.012
27 HH21 ARG 3 1HH2 ARG 3 -23.782 -7.087 0.545
28 HH22 ARG 3 2HH2 ARG 3 -24.660 -6.971 2.030
29 H GLU 4 H GLU 4 -17.004 -4.460 -2.753
30 HA GLU 4 HA GLU 4 -17.025 -7.079 -4.208
31 HB2 GLU 4 2HB GLU 4 -16.549 -5.778 -6.224
32 HB3 GLU 4 1HB GLU 4 -17.999 -5.168 -5.439
33 HG2 GLU 4 2HG GLU 4 -15.356 -3.903 -4.772
34 HG3 GLU 4 1HG GLU 4 -16.130 -3.501 -6.300
35 H MET 5 H MET 5 -15.059 -4.845 -2.423
36 HA MET 5 HA MET 5 -12.609 -6.387 -3.187
37 HB2 MET 5 2HB MET 5 -13.085 -3.412 -2.955
38 HB3 MET 5 1HB MET 5 -11.464 -4.094 -2.831
39 HG2 MET 5 2HG MET 5 -11.683 -5.109 -5.044
40 HG3 MET 5 1HG MET 5 -13.343 -4.529 -5.171
41 HE1 MET 5 3HE MET 5 -13.124 -0.770 -5.483
42 HE2 MET 5 1HE MET 5 -13.605 -1.851 -4.166
43 HE3 MET 5 2HE MET 5 -14.067 -2.215 -5.826
44 H ALA 6 H ALA 6 -13.759 -3.937 -0.808
45 HA ALA 6 HA ALA 6 -13.481 -3.768 1.514
46 HB1 ALA 6 1HB ALA 6 -13.286 -6.785 1.425
47 HB2 ALA 6 2HB ALA 6 -14.804 -5.932 1.145
48 HB3 ALA 6 3HB ALA 6 -13.979 -5.776 2.696
49 H ALA 7 H ALA 7 -11.032 -3.682 -0.123
50 HA ALA 7 HA ALA 7 -9.055 -4.497 1.971
51 HB1 ALA 7 1HB ALA 7 -9.240 -6.200 0.145
52 HB2 ALA 7 2HB ALA 7 -7.640 -5.465 0.241
53 HB3 ALA 7 3HB ALA 7 -8.770 -4.957 -1.014
54 H SER 8 H SER 8 -9.561 -2.642 -1.063
55 HA SER 8 HA SER 8 -7.249 -0.940 -0.756
56 HB2 SER 8 2HB SER 8 -9.783 -0.345 -2.305
57 HB3 SER 8 1HB SER 8 -8.147 0.185 -2.668
58 HG SER 8 HG SER 8 -8.568 -1.552 -3.977
59 H ALA 9 H ALA 9 -7.427 -0.195 1.437
60 HA ALA 9 HA ALA 9 -8.680 2.372 1.796
61 HB1 ALA 9 1HB ALA 9 -10.769 1.472 2.191
62 HB2 ALA 9 2HB ALA 9 -10.105 1.245 3.809
63 HB3 ALA 9 3HB ALA 9 -10.113 -0.096 2.665
64 H GLY 10 H GLY 10 -8.037 -0.452 3.909
65 HA2 GLY 10 2HA GLY 10 -5.952 1.162 5.330
66 HA3 GLY 10 1HA GLY 10 -7.037 0.056 6.176
67 H GLY 11 H GLY 11 -7.035 -2.194 4.671
68 HA2 GLY 11 2HA GLY 11 -4.601 -3.507 5.318
69 HA3 GLY 11 1HA GLY 11 -5.825 -4.143 4.221
70 H ALA 12 H ALA 12 -5.769 -2.311 2.137
71 HA ALA 12 HA ALA 12 -3.476 -3.116 0.608
72 HB1 ALA 12 1HB ALA 12 -4.425 -1.726 -1.082
73 HB2 ALA 12 2HB ALA 12 -5.188 -0.672 0.107
74 HB3 ALA 12 3HB ALA 12 -5.801 -2.306 -0.144
75 H VAL 13 H VAL 13 -4.240 -0.058 2.303
76 HA VAL 13 HA VAL 13 -1.931 1.439 1.545
77 HB VAL 13 HB VAL 13 -3.770 1.442 3.957
78 HG11 VAL 13 1HG1 VAL 13 -1.944 2.515 4.926
79 HG12 VAL 13 2HG1 VAL 13 -2.764 3.876 4.160
80 HG13 VAL 13 3HG1 VAL 13 -1.361 3.142 3.384
81 HG21 VAL 13 3HG2 VAL 13 -4.679 3.447 2.872
82 HG22 VAL 13 1HG2 VAL 13 -4.696 2.094 1.740
83 HG23 VAL 13 2HG2 VAL 13 -3.453 3.340 1.609
84 H PHE 14 H PHE 14 -2.445 -0.944 4.144
85 HA PHE 14 HA PHE 14 0.135 -0.559 5.422
86 HB2 PHE 14 2HB PHE 14 -2.135 -1.636 6.229
87 HB3 PHE 14 1HB PHE 14 -1.458 -3.107 5.530
88 HD1 PHE 14 2HD PHE 14 0.585 -4.116 6.433
89 HD2 PHE 14 1HD PHE 14 -1.113 -0.580 8.181
90 HE1 PHE 14 2HE PHE 14 2.010 -4.424 8.438
91 HE2 PHE 14 1HE PHE 14 0.313 -0.887 10.186
92 HZ PHE 14 HZ PHE 14 1.874 -2.809 10.315
93 H VAL 15 H VAL 15 -1.087 -2.722 2.857
94 HA VAL 15 HA VAL 15 1.131 -4.515 2.676
95 HB VAL 15 HB VAL 15 -0.846 -3.441 0.630
96 HG11 VAL 15 1HG1 VAL 15 1.216 -5.642 0.398
97 HG12 VAL 15 2HG1 VAL 15 0.957 -4.275 -0.685
98 HG13 VAL 15 3HG1 VAL 15 -0.220 -5.586 -0.624
99 HG21 VAL 15 3HG2 VAL 15 -1.242 -5.098 2.801
100 HG22 VAL 15 1HG2 VAL 15 -0.968 -6.253 1.498
101 HG23 VAL 15 2HG2 VAL 15 -2.260 -5.062 1.363
102 H GLY 16 H GLY 16 0.509 -1.395 1.016
103 HA2 GLY 16 2HA GLY 16 2.964 -1.317 -0.468
104 HA3 GLY 16 1HA GLY 16 1.971 0.090 -0.071
105 H LEU 17 H LEU 17 2.066 -0.256 2.794
106 HA LEU 17 HA LEU 17 4.433 1.203 3.485
107 HB2 LEU 17 2HB LEU 17 2.163 1.079 4.646
108 HB3 LEU 17 1HB LEU 17 2.674 -0.477 5.293
109 HG LEU 17 HG LEU 17 4.778 0.813 6.126
110 HD11 LEU 17 1HD1 LEU 17 4.213 3.214 6.653
111 HD12 LEU 17 2HD1 LEU 17 2.814 3.060 5.591
112 HD13 LEU 17 3HD1 LEU 17 4.443 2.892 4.935
113 HD21 LEU 17 3HD2 LEU 17 1.979 1.009 7.243
114 HD22 LEU 17 1HD2 LEU 17 3.351 1.690 8.116
115 HD23 LEU 17 2HD2 LEU 17 3.300 -0.037 7.764
116 H VAL 18 H VAL 18 3.576 -2.258 3.821
117 HA VAL 18 HA VAL 18 5.922 -3.125 5.219
118 HB VAL 18 HB VAL 18 3.961 -4.473 3.334
119 HG11 VAL 18 1HG1 VAL 18 6.369 -5.585 4.746
120 HG12 VAL 18 2HG1 VAL 18 5.736 -5.972 3.145
121 HG13 VAL 18 3HG1 VAL 18 4.926 -6.588 4.585
122 HG21 VAL 18 3HG2 VAL 18 3.220 -3.598 5.605
123 HG22 VAL 18 1HG2 VAL 18 4.330 -4.762 6.329
124 HG23 VAL 18 2HG2 VAL 18 2.972 -5.326 5.357
125 H LEU 19 H LEU 19 5.238 -2.813 1.718
126 HA LEU 19 HA LEU 19 7.722 -3.940 0.789
127 HB2 LEU 19 2HB LEU 19 5.350 -3.055 -0.316
128 HB3 LEU 19 1HB LEU 19 6.486 -1.820 -0.849
129 HG LEU 19 HG LEU 19 6.398 -3.587 -2.514
130 HD11 LEU 19 1HD1 LEU 19 8.964 -3.915 -0.938
131 HD12 LEU 19 2HD1 LEU 19 8.619 -2.535 -1.979
132 HD13 LEU 19 3HD1 LEU 19 8.741 -4.151 -2.671
133 HD21 LEU 19 3HD2 LEU 19 5.620 -5.370 -0.920
134 HD22 LEU 19 1HD2 LEU 19 7.275 -5.493 -0.322
135 HD23 LEU 19 2HD2 LEU 19 6.911 -5.902 -1.997
136 H LEU 20 H LEU 20 6.751 -0.621 1.681
137 HA LEU 20 HA LEU 20 9.092 0.755 0.761
138 HB2 LEU 20 2HB LEU 20 6.801 1.615 1.627
139 HB3 LEU 20 1HB LEU 20 7.506 1.464 3.236
140 HG LEU 20 HG LEU 20 9.083 2.902 1.134
141 HD11 LEU 20 1HD1 LEU 20 6.772 4.128 2.670
142 HD12 LEU 20 2HD1 LEU 20 6.816 3.851 0.929
143 HD13 LEU 20 3HD1 LEU 20 7.922 5.009 1.665
144 HD21 LEU 20 3HD2 LEU 20 10.271 2.832 3.129
145 HD22 LEU 20 1HD2 LEU 20 8.812 2.849 4.121
146 HD23 LEU 20 2HD2 LEU 20 9.380 4.337 3.360
147 H THR 21 H THR 21 8.339 -0.844 3.865
148 HA THR 21 HA THR 21 10.870 -0.153 5.136
149 HB THR 21 HB THR 21 8.891 -2.353 5.816
150 HG1 THR 21 1HG THR 21 7.560 -0.823 6.318
151 HG21 THR 21 3HG2 THR 21 10.545 -2.682 7.360
152 HG22 THR 21 1HG2 THR 21 9.735 -1.344 8.172
153 HG23 THR 21 2HG2 THR 21 11.172 -1.043 7.196
154 H LEU 22 H LEU 22 9.808 -2.713 2.991
155 HA LEU 22 HA LEU 22 11.586 -4.826 3.599
156 HB2 LEU 22 2HB LEU 22 9.588 -4.527 1.921
157 HB3 LEU 22 1HB LEU 22 10.852 -4.067 0.783
158 HG LEU 22 HG LEU 22 11.252 -6.558 2.390
159 HD11 LEU 22 1HD1 LEU 22 9.468 -6.387 -0.059
160 HD12 LEU 22 2HD1 LEU 22 8.916 -6.719 1.582
161 HD13 LEU 22 3HD1 LEU 22 9.966 -7.870 0.755
162 HD21 LEU 22 3HD2 LEU 22 13.043 -5.900 0.923
163 HD22 LEU 22 1HD2 LEU 22 11.923 -5.593 -0.405
164 HD23 LEU 22 2HD2 LEU 22 12.221 -7.246 0.132
165 H SER 23 H SER 23 12.076 -2.084 1.331
166 HA SER 23 HA SER 23 14.019 -1.095 0.485
167 HB2 SER 23 2HB SER 23 14.567 -1.929 3.143
168 HB3 SER 23 1HB SER 23 15.985 -2.336 2.186
169 HG SER 23 HG SER 23 16.000 -0.165 2.992
170 HA PRO 24 HA PRO 24 15.016 -4.692 -2.106
171 HB2 PRO 24 2HB PRO 24 15.708 -3.224 -4.312
172 HB3 PRO 24 1HB PRO 24 14.027 -3.613 -3.890
173 HG2 PRO 24 2HG PRO 24 15.561 -1.107 -3.388
174 HG3 PRO 24 1HG PRO 24 13.893 -1.312 -3.952
175 HD2 PRO 24 2HD PRO 24 14.454 -0.693 -1.403
176 HD3 PRO 24 1HD PRO 24 13.079 -1.737 -1.839
177 H HIS 25 H HIS 25 17.036 -5.575 -2.750
178 HA HIS 25 HA HIS 25 19.444 -4.121 -1.734
179 HB2 HIS 25 2HB HIS 25 18.512 -6.522 -1.052
180 HB3 HIS 25 1HB HIS 25 19.420 -7.021 -2.478
181 HD1 HIS 25 1HD HIS 25 21.965 -5.549 -2.407
182 HD2 HIS 25 2HD HIS 25 20.153 -6.819 1.128
183 HE1 HIS 25 1HE HIS 25 23.789 -5.627 -0.655
184 H TYR 26 H TYR 26 18.349 -6.082 -4.536
185 HA TYR 26 HA TYR 26 20.769 -5.709 -6.082
186 HB2 TYR 26 2HB TYR 26 18.058 -6.857 -6.410
187 HB3 TYR 26 1HB TYR 26 18.807 -6.293 -7.901
188 HD1 TYR 26 1HD TYR 26 21.165 -7.102 -8.467
189 HD2 TYR 26 2HD TYR 26 18.751 -8.887 -5.394
190 HE1 TYR 26 1HE TYR 26 22.587 -9.131 -8.526
191 HE2 TYR 26 2HE TYR 26 20.174 -10.916 -5.455
192 HH TYR 26 HH TYR 26 22.969 -11.171 -6.385
193 H LYS 27 H LYS 27 17.562 -4.102 -6.155
194 HA LYS 27 HA LYS 27 18.653 -2.048 -8.031
195 HB2 LYS 27 2HB LYS 27 16.495 -3.437 -8.388
196 HB3 LYS 27 1HB LYS 27 15.788 -2.406 -7.143
197 HG2 LYS 27 2HG LYS 27 16.851 -0.477 -8.654
198 HG3 LYS 27 1HG LYS 27 16.669 -1.703 -9.911
199 HD2 LYS 27 2HD LYS 27 14.296 -1.909 -9.451
200 HD3 LYS 27 1HD LYS 27 14.433 -0.835 -8.057
201 HE2 LYS 27 2HE LYS 27 15.265 0.965 -9.657
202 HE3 LYS 27 1HE LYS 27 14.775 -0.109 -10.983
203 HZ1 LYS 27 3HZ LYS 27 13.000 0.762 -8.758
204 HZ2 LYS 27 1HZ LYS 27 12.552 -0.212 -10.074
205 HZ3 LYS 27 2HZ LYS 27 12.981 1.412 -10.328
Start of MODEL 3
1 H1 MET 1 1HT MET 1 -6.206 -7.924 13.287
2 H2 MET 1 2HT MET 1 -6.801 -6.349 13.528
3 H3 MET 1 3HT MET 1 -7.233 -7.221 12.137
4 HA MET 1 HA MET 1 -8.491 -8.805 13.448
5 HB2 MET 1 2HB MET 1 -6.968 -7.360 15.554
6 HB3 MET 1 1HB MET 1 -8.614 -7.827 15.982
7 HG2 MET 1 2HG MET 1 -8.027 -10.161 15.105
8 HG3 MET 1 1HG MET 1 -6.347 -9.624 15.100
9 HE1 MET 1 2HE MET 1 -4.833 -10.107 17.195
10 HE2 MET 1 3HE MET 1 -5.288 -9.158 18.605
11 HE3 MET 1 1HE MET 1 -5.286 -8.418 16.995
12 H ASP 2 H ASP 2 -10.649 -8.227 14.522
13 HA ASP 2 HA ASP 2 -12.643 -7.007 14.536
14 HB2 ASP 2 2HB ASP 2 -10.656 -5.492 15.706
15 HB3 ASP 2 1HB ASP 2 -11.320 -4.378 14.512
16 H ARG 3 H ARG 3 -13.373 -4.563 13.384
17 HA ARG 3 HA ARG 3 -12.773 -4.969 10.469
18 HB2 ARG 3 2HB ARG 3 -15.331 -4.585 12.011
19 HB3 ARG 3 1HB ARG 3 -15.246 -4.092 10.321
20 HG2 ARG 3 2HG ARG 3 -14.064 -6.677 10.501
21 HG3 ARG 3 1HG ARG 3 -15.587 -6.733 11.389
22 HD2 ARG 3 2HD ARG 3 -16.869 -6.215 9.506
23 HD3 ARG 3 1HD ARG 3 -15.519 -5.419 8.679
24 HE ARG 3 HE ARG 3 -16.091 -8.259 8.593
25 HH11 ARG 3 1HH1 ARG 3 -14.469 -6.321 6.722
26 HH12 ARG 3 2HH1 ARG 3 -12.930 -7.113 6.742
27 HH21 ARG 3 1HH2 ARG 3 -13.721 -9.115 9.489
28 HH22 ARG 3 2HH2 ARG 3 -12.502 -8.711 8.329
29 H GLU 4 H GLU 4 -14.638 -2.496 12.267
30 HA GLU 4 HA GLU 4 -14.549 -0.155 12.230
31 HB2 GLU 4 2HB GLU 4 -11.695 -1.092 12.360
32 HB3 GLU 4 1HB GLU 4 -12.054 0.632 12.307
33 HG2 GLU 4 2HG GLU 4 -13.831 -0.181 14.207
34 HG3 GLU 4 1HG GLU 4 -12.515 -1.321 14.484
35 H MET 5 H MET 5 -14.659 -1.554 9.539
36 HA MET 5 HA MET 5 -14.498 -1.044 7.254
37 HB2 MET 5 2HB MET 5 -14.754 1.600 8.671
38 HB3 MET 5 1HB MET 5 -14.724 1.512 6.912
39 HG2 MET 5 2HG MET 5 -16.619 -0.186 8.540
40 HG3 MET 5 1HG MET 5 -17.039 1.453 8.047
41 HE1 MET 5 3HE MET 5 -19.142 0.067 5.331
42 HE2 MET 5 1HE MET 5 -18.789 1.426 6.412
43 HE3 MET 5 2HE MET 5 -19.112 -0.173 7.074
44 H ALA 6 H ALA 6 -12.116 -1.882 7.689
45 HA ALA 6 HA ALA 6 -10.091 0.246 7.130
46 HB1 ALA 6 1HB ALA 6 -9.878 -1.317 9.079
47 HB2 ALA 6 2HB ALA 6 -8.511 -1.386 7.967
48 HB3 ALA 6 3HB ALA 6 -9.738 -2.652 7.934
49 H ALA 7 H ALA 7 -12.006 -1.475 5.155
50 HA ALA 7 HA ALA 7 -10.185 -2.928 3.438
51 HB1 ALA 7 1HB ALA 7 -12.161 -2.763 1.861
52 HB2 ALA 7 2HB ALA 7 -12.950 -1.741 3.063
53 HB3 ALA 7 3HB ALA 7 -12.548 -3.415 3.453
54 H SER 8 H SER 8 -11.534 0.382 3.344
55 HA SER 8 HA SER 8 -9.857 1.033 0.968
56 HB2 SER 8 2HB SER 8 -12.069 2.491 2.455
57 HB3 SER 8 1HB SER 8 -11.247 3.128 1.036
58 HG SER 8 HG SER 8 -13.187 2.012 0.500
59 H ALA 9 H ALA 9 -7.993 2.207 1.230
60 HA ALA 9 HA ALA 9 -6.239 3.379 2.248
61 HB1 ALA 9 1HB ALA 9 -8.486 4.598 3.875
62 HB2 ALA 9 2HB ALA 9 -8.126 5.056 2.211
63 HB3 ALA 9 3HB ALA 9 -6.935 5.337 3.479
64 H GLY 10 H GLY 10 -6.829 0.778 3.372
65 HA2 GLY 10 2HA GLY 10 -5.724 1.184 6.102
66 HA3 GLY 10 1HA GLY 10 -7.153 0.164 5.923
67 H GLY 11 H GLY 11 -6.962 -1.817 4.711
68 HA2 GLY 11 2HA GLY 11 -4.584 -3.312 5.165
69 HA3 GLY 11 1HA GLY 11 -5.885 -3.802 4.080
70 H ALA 12 H ALA 12 -5.790 -1.772 2.171
71 HA ALA 12 HA ALA 12 -3.706 -2.606 0.408
72 HB1 ALA 12 1HB ALA 12 -5.840 -1.593 -0.290
73 HB2 ALA 12 2HB ALA 12 -4.484 -0.670 -0.938
74 HB3 ALA 12 3HB ALA 12 -5.371 -0.068 0.463
75 H VAL 13 H VAL 13 -3.973 0.294 2.496
76 HA VAL 13 HA VAL 13 -1.508 1.545 1.708
77 HB VAL 13 HB VAL 13 -3.124 1.629 4.286
78 HG11 VAL 13 1HG1 VAL 13 -1.035 2.517 4.917
79 HG12 VAL 13 2HG1 VAL 13 -1.949 3.944 4.434
80 HG13 VAL 13 3HG1 VAL 13 -0.761 3.244 3.334
81 HG21 VAL 13 3HG2 VAL 13 -4.339 2.377 2.259
82 HG22 VAL 13 1HG2 VAL 13 -3.025 3.494 1.888
83 HG23 VAL 13 2HG2 VAL 13 -4.005 3.734 3.333
84 H PHE 14 H PHE 14 -2.307 -0.808 4.274
85 HA PHE 14 HA PHE 14 0.248 -0.928 5.550
86 HB2 PHE 14 2HB PHE 14 -2.098 -1.870 6.186
87 HB3 PHE 14 1HB PHE 14 -1.622 -3.272 5.228
88 HD1 PHE 14 1HD PHE 14 -0.900 -1.282 8.251
89 HD2 PHE 14 2HD PHE 14 0.181 -4.743 5.946
90 HE1 PHE 14 1HE PHE 14 0.436 -2.133 10.156
91 HE2 PHE 14 2HE PHE 14 1.518 -5.595 7.854
92 HZ PHE 14 HZ PHE 14 1.645 -4.290 9.960
93 H VAL 15 H VAL 15 -1.076 -2.734 2.752
94 HA VAL 15 HA VAL 15 1.090 -4.584 2.419
95 HB VAL 15 HB VAL 15 -0.841 -3.326 0.432
96 HG11 VAL 15 1HG1 VAL 15 0.871 -4.265 -0.908
97 HG12 VAL 15 2HG1 VAL 15 -0.350 -5.536 -0.817
98 HG13 VAL 15 3HG1 VAL 15 1.097 -5.630 0.187
99 HG21 VAL 15 3HG2 VAL 15 -1.338 -5.028 2.579
100 HG22 VAL 15 1HG2 VAL 15 -1.211 -6.131 1.208
101 HG23 VAL 15 2HG2 VAL 15 -2.382 -4.813 1.176
102 H GLY 16 H GLY 16 0.520 -1.345 0.979
103 HA2 GLY 16 2HA GLY 16 2.991 -1.271 -0.510
104 HA3 GLY 16 1HA GLY 16 1.992 0.130 -0.112
105 H LEU 17 H LEU 17 2.035 -0.216 2.744
106 HA LEU 17 HA LEU 17 4.400 1.219 3.482
107 HB2 LEU 17 2HB LEU 17 2.210 1.257 4.653
108 HB3 LEU 17 1HB LEU 17 2.458 -0.414 5.152
109 HG LEU 17 HG LEU 17 4.776 1.170 5.857
110 HD11 LEU 17 1HD1 LEU 17 3.719 2.646 7.514
111 HD12 LEU 17 2HD1 LEU 17 2.122 2.126 6.978
112 HD13 LEU 17 3HD1 LEU 17 3.161 3.047 5.890
113 HD21 LEU 17 3HD2 LEU 17 4.121 -0.988 6.869
114 HD22 LEU 17 1HD2 LEU 17 2.659 -0.243 7.516
115 HD23 LEU 17 2HD2 LEU 17 4.242 0.270 8.098
116 H VAL 18 H VAL 18 3.517 -2.239 3.916
117 HA VAL 18 HA VAL 18 5.887 -3.060 5.306
118 HB VAL 18 HB VAL 18 3.925 -4.488 3.479
119 HG11 VAL 18 1HG1 VAL 18 5.781 -5.934 3.389
120 HG12 VAL 18 2HG1 VAL 18 4.861 -6.558 4.758
121 HG13 VAL 18 3HG1 VAL 18 6.280 -5.548 5.036
122 HG21 VAL 18 3HG2 VAL 18 4.233 -4.796 6.466
123 HG22 VAL 18 1HG2 VAL 18 2.827 -5.147 5.461
124 HG23 VAL 18 2HG2 VAL 18 3.279 -3.475 5.792
125 H LEU 19 H LEU 19 5.122 -2.889 1.830
126 HA LEU 19 HA LEU 19 7.530 -4.055 0.795
127 HB2 LEU 19 2HB LEU 19 5.336 -3.639 -0.371
128 HB3 LEU 19 1HB LEU 19 5.735 -1.924 -0.408
129 HG LEU 19 HG LEU 19 7.969 -3.454 -1.414
130 HD11 LEU 19 1HD1 LEU 19 6.915 -4.407 -3.412
131 HD12 LEU 19 2HD1 LEU 19 5.328 -3.895 -2.839
132 HD13 LEU 19 3HD1 LEU 19 6.225 -5.135 -1.962
133 HD21 LEU 19 3HD2 LEU 19 6.088 -1.666 -2.972
134 HD22 LEU 19 1HD2 LEU 19 7.819 -1.901 -3.213
135 HD23 LEU 19 2HD2 LEU 19 7.238 -1.013 -1.807
136 H LEU 20 H LEU 20 6.687 -0.713 1.700
137 HA LEU 20 HA LEU 20 9.047 0.561 0.646
138 HB2 LEU 20 2HB LEU 20 6.736 1.487 1.441
139 HB3 LEU 20 1HB LEU 20 7.477 1.510 3.040
140 HG LEU 20 HG LEU 20 9.430 2.776 1.894
141 HD11 LEU 20 1HD1 LEU 20 8.790 2.381 -0.421
142 HD12 LEU 20 2HD1 LEU 20 8.668 4.109 -0.087
143 HD13 LEU 20 3HD1 LEU 20 7.211 3.118 -0.147
144 HD21 LEU 20 3HD2 LEU 20 7.841 3.809 3.481
145 HD22 LEU 20 1HD2 LEU 20 6.698 4.078 2.164
146 HD23 LEU 20 2HD2 LEU 20 8.243 4.926 2.178
147 H THR 21 H THR 21 8.215 -0.627 3.931
148 HA THR 21 HA THR 21 10.685 0.114 5.197
149 HB THR 21 HB THR 21 8.794 -2.178 5.849
150 HG1 THR 21 1HG THR 21 7.422 -0.650 6.243
151 HG21 THR 21 3HG2 THR 21 9.760 -2.279 7.920
152 HG22 THR 21 1HG2 THR 21 10.144 -0.558 7.942
153 HG23 THR 21 2HG2 THR 21 11.163 -1.678 7.037
154 H LEU 22 H LEU 22 9.643 -2.912 3.581
155 HA LEU 22 HA LEU 22 12.012 -4.443 4.118
156 HB2 LEU 22 2HB LEU 22 9.589 -4.978 3.103
157 HB3 LEU 22 1HB LEU 22 10.468 -4.813 1.583
158 HG LEU 22 HG LEU 22 12.226 -6.381 2.786
159 HD11 LEU 22 1HD1 LEU 22 9.672 -7.300 4.117
160 HD12 LEU 22 2HD1 LEU 22 10.827 -6.250 4.936
161 HD13 LEU 22 3HD1 LEU 22 11.317 -7.861 4.413
162 HD21 LEU 22 3HD2 LEU 22 10.994 -8.350 1.864
163 HD22 LEU 22 1HD2 LEU 22 11.009 -6.984 0.747
164 HD23 LEU 22 2HD2 LEU 22 9.560 -7.339 1.688
165 H SER 23 H SER 23 11.187 -2.165 1.498
166 HA SER 23 HA SER 23 14.011 -2.372 0.497
167 HB2 SER 23 2HB SER 23 11.673 -3.031 -0.807
168 HB3 SER 23 1HB SER 23 11.902 -1.364 -1.316
169 HG SER 23 HG SER 23 13.747 -3.527 -1.512
170 HA PRO 24 HA PRO 24 13.202 1.953 1.953
171 HB2 PRO 24 2HB PRO 24 15.500 2.240 3.405
172 HB3 PRO 24 1HB PRO 24 14.018 1.524 4.069
173 HG2 PRO 24 2HG PRO 24 16.507 0.214 3.184
174 HG3 PRO 24 1HG PRO 24 15.362 -0.261 4.445
175 HD2 PRO 24 2HD PRO 24 15.540 -1.380 1.907
176 HD3 PRO 24 1HD PRO 24 14.167 -1.540 3.022
177 H HIS 25 H HIS 25 13.586 2.161 -0.447
178 HA HIS 25 HA HIS 25 14.685 3.105 -2.284
179 HB2 HIS 25 2HB HIS 25 15.937 4.360 0.136
180 HB3 HIS 25 1HB HIS 25 16.619 4.712 -1.448
181 HD1 HIS 25 1HD HIS 25 13.426 5.075 0.540
182 HD2 HIS 25 2HD HIS 25 15.031 6.368 -3.085
183 HE1 HIS 25 1HE HIS 25 11.843 6.835 -0.357
184 H TYR 26 H TYR 26 15.782 0.489 -0.983
185 HA TYR 26 HA TYR 26 17.971 0.092 -2.823
186 HB2 TYR 26 2HB TYR 26 19.777 0.506 -1.498
187 HB3 TYR 26 1HB TYR 26 18.660 1.458 -0.537
188 HD1 TYR 26 2HD TYR 26 17.696 0.518 1.561
189 HD2 TYR 26 1HD TYR 26 20.637 -1.611 -0.730
190 HE1 TYR 26 2HE TYR 26 18.125 -0.975 3.495
191 HE2 TYR 26 1HE TYR 26 21.066 -3.102 1.201
192 HH TYR 26 HH TYR 26 20.625 -2.624 4.021
193 H LYS 27 H LYS 27 18.469 -2.140 -3.005
194 HA LYS 27 HA LYS 27 16.904 -3.987 -1.232
195 HB2 LYS 27 2HB LYS 27 16.358 -5.269 -3.216
196 HB3 LYS 27 1HB LYS 27 15.936 -3.586 -3.505
197 HG2 LYS 27 2HG LYS 27 17.299 -3.516 -5.298
198 HG3 LYS 27 1HG LYS 27 18.671 -4.032 -4.316
199 HD2 LYS 27 2HD LYS 27 17.568 -6.407 -4.515
200 HD3 LYS 27 1HD LYS 27 16.758 -5.708 -5.917
201 HE2 LYS 27 2HE LYS 27 19.570 -5.013 -5.983
202 HE3 LYS 27 1HE LYS 27 19.382 -6.769 -5.829
203 HZ1 LYS 27 3HZ LYS 27 19.267 -6.051 -8.156
204 HZ2 LYS 27 1HZ LYS 27 17.936 -5.067 -7.795
205 HZ3 LYS 27 2HZ LYS 27 17.807 -6.757 -7.649
Start of MODEL 4
1 H1 MET 1 1HT MET 1 -8.111 -13.968 8.231
2 H2 MET 1 2HT MET 1 -7.047 -14.596 7.068
3 H3 MET 1 3HT MET 1 -8.362 -15.525 7.612
4 HA MET 1 HA MET 1 -8.504 -13.031 5.982
5 HB2 MET 1 2HB MET 1 -8.513 -15.955 5.494
6 HB3 MET 1 1HB MET 1 -9.761 -15.054 4.635
7 HG2 MET 1 2HG MET 1 -8.001 -14.891 3.131
8 HG3 MET 1 1HG MET 1 -7.767 -13.419 4.069
9 HE1 MET 1 2HE MET 1 -5.265 -13.972 2.634
10 HE2 MET 1 3HE MET 1 -4.117 -13.899 3.967
11 HE3 MET 1 1HE MET 1 -5.534 -12.836 3.952
12 H ASP 2 H ASP 2 -10.788 -12.572 5.297
13 HA ASP 2 HA ASP 2 -12.990 -13.791 6.800
14 HB2 ASP 2 2HB ASP 2 -11.593 -12.089 8.261
15 HB3 ASP 2 1HB ASP 2 -12.529 -10.885 7.377
16 H ARG 3 H ARG 3 -12.268 -10.599 5.262
17 HA ARG 3 HA ARG 3 -14.723 -10.976 3.566
18 HB2 ARG 3 2HB ARG 3 -13.449 -8.636 4.943
19 HB3 ARG 3 1HB ARG 3 -14.418 -8.357 3.499
20 HG2 ARG 3 2HG ARG 3 -16.364 -8.794 4.573
21 HG3 ARG 3 1HG ARG 3 -15.688 -10.183 5.425
22 HD2 ARG 3 2HD ARG 3 -14.976 -7.341 6.204
23 HD3 ARG 3 1HD ARG 3 -16.363 -8.197 6.905
24 HE ARG 3 HE ARG 3 -14.553 -10.065 7.362
25 HH11 ARG 3 1HH2 ARG 3 -14.862 -8.269 9.632
26 HH12 ARG 3 2HH2 ARG 3 -13.277 -7.612 9.861
27 HH21 ARG 3 1HH1 ARG 3 -12.163 -8.530 6.691
28 HH22 ARG 3 2HH1 ARG 3 -11.737 -7.757 8.182
29 H GLU 4 H GLU 4 -11.602 -9.206 3.500
30 HA GLU 4 HA GLU 4 -10.074 -8.778 1.782
31 HB2 GLU 4 2HB GLU 4 -11.348 -11.350 0.819
32 HB3 GLU 4 1HB GLU 4 -9.965 -10.608 0.022
33 HG2 GLU 4 2HG GLU 4 -8.555 -11.443 1.562
34 HG3 GLU 4 1HG GLU 4 -9.501 -10.743 2.875
35 H MET 5 H MET 5 -12.956 -7.734 1.582
36 HA MET 5 HA MET 5 -12.687 -6.511 -1.045
37 HB2 MET 5 2HB MET 5 -14.780 -7.466 -1.980
38 HB3 MET 5 1HB MET 5 -13.546 -8.690 -1.712
39 HG2 MET 5 2HG MET 5 -14.761 -8.973 0.619
40 HG3 MET 5 1HG MET 5 -16.115 -8.229 -0.231
41 HE1 MET 5 3HE MET 5 -17.529 -9.270 -1.974
42 HE2 MET 5 1HE MET 5 -17.812 -9.992 -0.380
43 HE3 MET 5 2HE MET 5 -17.787 -11.004 -1.820
44 H ALA 6 H ALA 6 -14.953 -7.156 1.660
45 HA ALA 6 HA ALA 6 -16.733 -4.983 1.302
46 HB1 ALA 6 1HB ALA 6 -17.152 -6.805 2.835
47 HB2 ALA 6 2HB ALA 6 -17.100 -5.313 3.773
48 HB3 ALA 6 3HB ALA 6 -15.715 -6.404 3.777
49 H ALA 7 H ALA 7 -13.724 -5.074 3.278
50 HA ALA 7 HA ALA 7 -13.881 -2.105 3.581
51 HB1 ALA 7 1HB ALA 7 -13.665 -3.557 5.585
52 HB2 ALA 7 2HB ALA 7 -12.277 -2.486 5.395
53 HB3 ALA 7 3HB ALA 7 -12.144 -4.185 4.946
54 H SER 8 H SER 8 -13.171 -1.620 1.431
55 HA SER 8 HA SER 8 -10.508 -2.550 0.534
56 HB2 SER 8 2HB SER 8 -11.158 -1.147 -1.478
57 HB3 SER 8 1HB SER 8 -12.275 -2.448 -1.092
58 HG SER 8 HG SER 8 -12.524 0.339 -0.699
59 H ALA 9 H ALA 9 -8.977 -0.824 -0.312
60 HA ALA 9 HA ALA 9 -7.645 1.075 -0.073
61 HB1 ALA 9 1HB ALA 9 -9.741 2.444 1.555
62 HB2 ALA 9 2HB ALA 9 -10.114 2.032 -0.119
63 HB3 ALA 9 3HB ALA 9 -8.741 3.074 0.247
64 H GLY 10 H GLY 10 -8.512 -0.843 2.554
65 HA2 GLY 10 2HA GLY 10 -6.925 0.776 4.493
66 HA3 GLY 10 1HA GLY 10 -7.979 -0.575 4.917
67 H GLY 11 H GLY 11 -7.294 -2.703 3.722
68 HA2 GLY 11 2HA GLY 11 -4.779 -3.552 4.691
69 HA3 GLY 11 1HA GLY 11 -5.711 -4.406 3.463
70 H ALA 12 H ALA 12 -5.673 -2.342 1.457
71 HA ALA 12 HA ALA 12 -3.261 -2.901 0.057
72 HB1 ALA 12 1HB ALA 12 -5.177 -0.557 -0.171
73 HB2 ALA 12 2HB ALA 12 -5.372 -2.125 -0.956
74 HB3 ALA 12 3HB ALA 12 -4.037 -1.067 -1.417
75 H VAL 13 H VAL 13 -4.141 -0.042 2.033
76 HA VAL 13 HA VAL 13 -1.774 1.500 1.589
77 HB VAL 13 HB VAL 13 -3.746 1.310 3.893
78 HG11 VAL 13 1HG1 VAL 13 -1.949 2.365 4.954
79 HG12 VAL 13 2HG1 VAL 13 -2.831 3.737 4.285
80 HG13 VAL 13 3HG1 VAL 13 -1.391 3.132 3.467
81 HG21 VAL 13 3HG2 VAL 13 -3.423 3.420 1.738
82 HG22 VAL 13 1HG2 VAL 13 -4.755 3.258 2.883
83 HG23 VAL 13 2HG2 VAL 13 -4.540 2.061 1.607
84 H PHE 14 H PHE 14 -2.534 -1.015 4.012
85 HA PHE 14 HA PHE 14 -0.069 -0.803 5.502
86 HB2 PHE 14 2HB PHE 14 -2.315 -1.898 6.124
87 HB3 PHE 14 1HB PHE 14 -1.789 -3.270 5.152
88 HD1 PHE 14 2HD PHE 14 -1.088 -1.263 8.180
89 HD2 PHE 14 1HD PHE 14 0.014 -4.722 5.883
90 HE1 PHE 14 2HE PHE 14 0.271 -2.092 10.080
91 HE2 PHE 14 1HE PHE 14 1.373 -5.550 7.784
92 HZ PHE 14 HZ PHE 14 1.502 -4.236 9.882
93 H VAL 15 H VAL 15 -1.083 -2.844 2.737
94 HA VAL 15 HA VAL 15 1.236 -4.508 2.567
95 HB VAL 15 HB VAL 15 -0.729 -3.474 0.491
96 HG11 VAL 15 1HG1 VAL 15 1.352 -4.246 -0.610
97 HG12 VAL 15 2HG1 VAL 15 0.008 -5.342 -0.930
98 HG13 VAL 15 3HG1 VAL 15 1.235 -5.779 0.258
99 HG21 VAL 15 3HG2 VAL 15 -1.298 -5.055 2.574
100 HG22 VAL 15 1HG2 VAL 15 -0.647 -6.290 1.497
101 HG23 VAL 15 2HG2 VAL 15 -2.029 -5.320 0.994
102 H GLY 16 H GLY 16 0.552 -1.298 1.141
103 HA2 GLY 16 2HA GLY 16 2.979 -1.090 -0.384
104 HA3 GLY 16 1HA GLY 16 1.963 0.266 0.110
105 H LEU 17 H LEU 17 2.122 -0.131 2.941
106 HA LEU 17 HA LEU 17 4.566 1.255 3.565
107 HB2 LEU 17 2HB LEU 17 2.221 1.105 4.741
108 HB3 LEU 17 1HB LEU 17 2.928 -0.280 5.571
109 HG LEU 17 HG LEU 17 4.891 1.245 6.165
110 HD11 LEU 17 1HD1 LEU 17 2.895 3.314 5.194
111 HD12 LEU 17 2HD1 LEU 17 4.511 3.023 4.552
112 HD13 LEU 17 3HD1 LEU 17 4.314 3.689 6.173
113 HD21 LEU 17 3HD2 LEU 17 3.599 2.351 8.012
114 HD22 LEU 17 1HD2 LEU 17 3.222 0.639 7.832
115 HD23 LEU 17 2HD2 LEU 17 2.107 1.856 7.213
116 H VAL 18 H VAL 18 3.575 -2.162 3.962
117 HA VAL 18 HA VAL 18 5.916 -3.084 5.350
118 HB VAL 18 HB VAL 18 3.987 -4.478 3.450
119 HG11 VAL 18 1HG1 VAL 18 5.781 -5.731 5.549
120 HG12 VAL 18 2HG1 VAL 18 6.154 -5.714 3.826
121 HG13 VAL 18 3HG1 VAL 18 4.728 -6.569 4.410
122 HG21 VAL 18 3HG2 VAL 18 3.818 -5.024 6.333
123 HG22 VAL 18 1HG2 VAL 18 2.538 -4.619 5.190
124 HG23 VAL 18 2HG2 VAL 18 3.493 -3.338 5.931
125 H LEU 19 H LEU 19 5.147 -2.809 1.874
126 HA LEU 19 HA LEU 19 7.565 -4.021 0.874
127 HB2 LEU 19 2HB LEU 19 5.257 -3.421 -0.231
128 HB3 LEU 19 1HB LEU 19 6.023 -1.865 -0.555
129 HG LEU 19 HG LEU 19 7.983 -3.249 -1.522
130 HD11 LEU 19 1HD1 LEU 19 5.767 -5.320 -1.462
131 HD12 LEU 19 2HD1 LEU 19 7.345 -5.436 -0.683
132 HD13 LEU 19 3HD1 LEU 19 7.227 -5.462 -2.441
133 HD21 LEU 19 3HD2 LEU 19 5.255 -3.137 -2.846
134 HD22 LEU 19 1HD2 LEU 19 6.746 -3.519 -3.706
135 HD23 LEU 19 2HD2 LEU 19 6.541 -1.936 -2.959
136 H LEU 20 H LEU 20 6.682 -0.651 1.663
137 HA LEU 20 HA LEU 20 8.997 0.676 0.649
138 HB2 LEU 20 2HB LEU 20 6.804 1.641 1.506
139 HB3 LEU 20 1HB LEU 20 7.410 1.370 3.139
140 HG LEU 20 HG LEU 20 9.340 2.756 1.408
141 HD11 LEU 20 1HD1 LEU 20 6.733 4.134 2.124
142 HD12 LEU 20 2HD1 LEU 20 7.250 3.710 0.491
143 HD13 LEU 20 3HD1 LEU 20 8.150 4.909 1.418
144 HD21 LEU 20 3HD2 LEU 20 8.076 3.533 4.057
145 HD22 LEU 20 1HD2 LEU 20 9.597 4.128 3.393
146 HD23 LEU 20 2HD2 LEU 20 9.459 2.447 3.910
147 H THR 21 H THR 21 8.361 -0.837 3.828
148 HA THR 21 HA THR 21 10.899 -0.136 5.033
149 HB THR 21 HB THR 21 8.969 -2.414 5.622
150 HG1 THR 21 1HG THR 21 7.711 -0.914 6.346
151 HG21 THR 21 3HG2 THR 21 11.028 -1.015 7.352
152 HG22 THR 21 1HG2 THR 21 11.104 -2.683 6.784
153 HG23 THR 21 2HG2 THR 21 9.857 -2.198 7.933
154 H LEU 22 H LEU 22 9.796 -2.809 2.996
155 HA LEU 22 HA LEU 22 12.041 -4.585 3.408
156 HB2 LEU 22 2HB LEU 22 9.620 -4.897 2.420
157 HB3 LEU 22 1HB LEU 22 10.390 -4.460 0.899
158 HG LEU 22 HG LEU 22 12.145 -6.263 1.478
159 HD11 LEU 22 1HD1 LEU 22 11.731 -6.765 3.743
160 HD12 LEU 22 2HD1 LEU 22 10.975 -8.111 2.891
161 HD13 LEU 22 3HD1 LEU 22 9.982 -6.794 3.512
162 HD21 LEU 22 3HD2 LEU 22 10.617 -8.070 0.628
163 HD22 LEU 22 1HD2 LEU 22 10.519 -6.578 -0.307
164 HD23 LEU 22 2HD2 LEU 22 9.257 -6.972 0.861
165 H SER 23 H SER 23 11.411 -1.904 1.168
166 HA SER 23 HA SER 23 12.769 -0.766 -0.353
167 HB2 SER 23 2HB SER 23 14.996 -2.096 1.216
168 HB3 SER 23 1HB SER 23 15.114 -0.621 0.267
169 HG SER 23 HG SER 23 14.165 -1.027 2.801
170 HA PRO 24 HA PRO 24 13.486 -4.794 -2.687
171 HB2 PRO 24 2HB PRO 24 11.437 -4.539 -4.476
172 HB3 PRO 24 1HB PRO 24 11.252 -5.345 -2.903
173 HG2 PRO 24 2HG PRO 24 10.460 -2.600 -3.718
174 HG3 PRO 24 1HG PRO 24 9.619 -3.757 -2.674
175 HD2 PRO 24 2HD PRO 24 11.044 -1.648 -1.719
176 HD3 PRO 24 1HD PRO 24 10.818 -3.166 -0.825
177 H HIS 25 H HIS 25 14.785 -4.730 -4.510
178 HA HIS 25 HA HIS 25 15.702 -2.246 -5.594
179 HB2 HIS 25 2HB HIS 25 17.027 -3.643 -7.064
180 HB3 HIS 25 1HB HIS 25 16.957 -4.408 -5.484
181 HD1 HIS 25 1HD HIS 25 15.721 -4.773 -9.018
182 HD2 HIS 25 2HD HIS 25 15.543 -6.883 -5.426
183 HE1 HIS 25 1HE HIS 25 14.816 -7.070 -9.579
184 H TYR 26 H TYR 26 13.122 -4.422 -6.656
185 HA TYR 26 HA TYR 26 12.634 -2.649 -9.019
186 HB2 TYR 26 2HB TYR 26 11.813 -4.549 -10.139
187 HB3 TYR 26 1HB TYR 26 13.158 -5.193 -9.210
188 HD1 TYR 26 1HD TYR 26 12.742 -6.585 -7.193
189 HD2 TYR 26 2HD TYR 26 9.517 -5.093 -9.608
190 HE1 TYR 26 1HE TYR 26 11.189 -8.182 -6.108
191 HE2 TYR 26 2HE TYR 26 7.966 -6.690 -8.522
192 HH TYR 26 HH TYR 26 8.089 -7.945 -5.997
193 H LYS 27 H LYS 27 10.477 -1.897 -9.359
194 HA LYS 27 HA LYS 27 8.281 -2.576 -7.576
195 HB2 LYS 27 2HB LYS 27 8.170 -0.433 -6.403
196 HB3 LYS 27 1HB LYS 27 9.727 -1.197 -6.103
197 HG2 LYS 27 2HG LYS 27 10.462 0.237 -8.216
198 HG3 LYS 27 1HG LYS 27 9.084 1.226 -7.744
199 HD2 LYS 27 2HD LYS 27 10.267 2.151 -6.076
200 HD3 LYS 27 1HD LYS 27 10.591 0.563 -5.387
201 HE2 LYS 27 2HE LYS 27 12.172 1.574 -7.759
202 HE3 LYS 27 1HE LYS 27 12.646 1.972 -6.096
203 HZ1 LYS 27 3HZ LYS 27 12.167 -0.776 -7.123
204 HZ2 LYS 27 1HZ LYS 27 12.637 -0.379 -5.544
205 HZ3 LYS 27 2HZ LYS 27 13.693 -0.091 -6.845
Start of MODEL 5
1 H1 MET 1 1HT MET 1 -20.021 2.165 2.913
2 H2 MET 1 2HT MET 1 -18.923 0.987 3.464
3 H3 MET 1 3HT MET 1 -20.392 0.521 2.748
4 HA MET 1 HA MET 1 -19.640 1.590 0.631
5 HB2 MET 1 2HB MET 1 -17.292 2.000 2.471
6 HB3 MET 1 1HB MET 1 -17.023 1.861 0.738
7 HG2 MET 1 2HG MET 1 -17.366 4.120 0.797
8 HG3 MET 1 1HG MET 1 -19.061 3.643 0.735
9 HE1 MET 1 2HE MET 1 -16.378 5.551 2.556
10 HE2 MET 1 3HE MET 1 -16.079 3.945 3.213
11 HE3 MET 1 1HE MET 1 -16.646 5.249 4.269
12 H ASP 2 H ASP 2 -17.840 0.364 -0.749
13 HA ASP 2 HA ASP 2 -17.908 -2.518 0.076
14 HB2 ASP 2 2HB ASP 2 -17.945 -1.039 -2.558
15 HB3 ASP 2 1HB ASP 2 -17.582 -2.762 -2.478
16 H ARG 3 H ARG 3 -15.789 -0.463 0.841
17 HA ARG 3 HA ARG 3 -13.450 -2.093 0.121
18 HB2 ARG 3 2HB ARG 3 -12.254 -0.212 -0.923
19 HB3 ARG 3 1HB ARG 3 -13.741 -0.557 -1.796
20 HG2 ARG 3 2HG ARG 3 -14.444 1.558 -1.482
21 HG3 ARG 3 1HG ARG 3 -14.321 1.364 0.266
22 HD2 ARG 3 2HD ARG 3 -11.683 1.659 -0.367
23 HD3 ARG 3 1HD ARG 3 -12.435 2.668 -1.618
24 HE ARG 3 HE ARG 3 -13.804 3.581 0.473
25 HH11 ARG 3 1HH1 ARG 3 -11.851 2.124 2.292
26 HH12 ARG 3 2HH1 ARG 3 -10.740 3.390 2.698
27 HH21 ARG 3 1HH2 ARG 3 -11.797 5.473 0.091
28 HH22 ARG 3 2HH2 ARG 3 -10.711 5.316 1.428
29 H GLU 4 H GLU 4 -14.402 -1.929 2.638
30 HA GLU 4 HA GLU 4 -12.688 0.109 4.035
31 HB2 GLU 4 2HB GLU 4 -15.395 -1.091 4.582
32 HB3 GLU 4 1HB GLU 4 -14.453 -0.368 5.886
33 HG2 GLU 4 2HG GLU 4 -14.406 1.763 4.805
34 HG3 GLU 4 1HG GLU 4 -15.028 1.091 3.298
35 H MET 5 H MET 5 -11.704 -2.474 3.155
36 HA MET 5 HA MET 5 -10.602 -3.487 5.656
37 HB2 MET 5 2HB MET 5 -13.047 -4.591 4.614
38 HB3 MET 5 1HB MET 5 -11.780 -5.808 4.483
39 HG2 MET 5 2HG MET 5 -12.354 -4.247 7.015
40 HG3 MET 5 1HG MET 5 -13.010 -5.848 6.678
41 HE1 MET 5 3HE MET 5 -11.461 -6.354 9.292
42 HE2 MET 5 1HE MET 5 -11.372 -4.619 8.950
43 HE3 MET 5 2HE MET 5 -9.909 -5.524 9.323
44 H ALA 6 H ALA 6 -11.315 -4.804 2.390
45 HA ALA 6 HA ALA 6 -8.740 -6.028 2.011
46 HB1 ALA 6 1HB ALA 6 -10.967 -6.522 0.877
47 HB2 ALA 6 2HB ALA 6 -9.564 -6.472 -0.190
48 HB3 ALA 6 3HB ALA 6 -10.672 -5.101 -0.126
49 H ALA 7 H ALA 7 -9.965 -2.781 1.245
50 HA ALA 7 HA ALA 7 -7.203 -1.891 0.663
51 HB1 ALA 7 1HB ALA 7 -7.856 -0.965 -1.515
52 HB2 ALA 7 2HB ALA 7 -9.507 -1.544 -1.288
53 HB3 ALA 7 3HB ALA 7 -8.186 -2.697 -1.486
54 H SER 8 H SER 8 -7.458 -0.661 2.580
55 HA SER 8 HA SER 8 -8.825 1.916 2.226
56 HB2 SER 8 2HB SER 8 -10.625 0.447 3.001
57 HB3 SER 8 1HB SER 8 -9.648 -0.089 4.356
58 HG SER 8 HG SER 8 -9.991 1.789 5.344
59 H ALA 9 H ALA 9 -8.040 0.401 5.351
60 HA ALA 9 HA ALA 9 -5.819 2.384 5.696
61 HB1 ALA 9 1HB ALA 9 -7.856 2.545 7.132
62 HB2 ALA 9 2HB ALA 9 -6.392 2.234 8.065
63 HB3 ALA 9 3HB ALA 9 -7.523 0.921 7.735
64 H GLY 10 H GLY 10 -6.762 -1.020 6.277
65 HA2 GLY 10 2HA GLY 10 -3.869 -1.679 6.630
66 HA3 GLY 10 1HA GLY 10 -5.146 -2.512 7.508
67 H GLY 11 H GLY 11 -6.002 -1.765 4.258
68 HA2 GLY 11 2HA GLY 11 -5.591 -4.620 3.512
69 HA3 GLY 11 1HA GLY 11 -6.812 -3.555 2.818
70 H ALA 12 H ALA 12 -5.537 -1.364 1.990
71 HA ALA 12 HA ALA 12 -3.583 -2.400 -0.018
72 HB1 ALA 12 1HB ALA 12 -5.625 -1.330 -0.849
73 HB2 ALA 12 2HB ALA 12 -4.230 -0.322 -1.231
74 HB3 ALA 12 3HB ALA 12 -5.286 0.111 0.112
75 H VAL 13 H VAL 13 -4.087 0.375 2.195
76 HA VAL 13 HA VAL 13 -1.584 1.673 1.803
77 HB VAL 13 HB VAL 13 -3.439 1.515 4.200
78 HG11 VAL 13 1HG1 VAL 13 -1.048 3.259 3.611
79 HG12 VAL 13 2HG1 VAL 13 -1.433 2.385 5.092
80 HG13 VAL 13 3HG1 VAL 13 -2.351 3.825 4.655
81 HG21 VAL 13 3HG2 VAL 13 -3.188 3.416 1.849
82 HG22 VAL 13 1HG2 VAL 13 -4.132 3.787 3.291
83 HG23 VAL 13 2HG2 VAL 13 -4.579 2.418 2.274
84 H PHE 14 H PHE 14 -2.483 -0.895 4.149
85 HA PHE 14 HA PHE 14 0.005 -0.950 5.574
86 HB2 PHE 14 2HB PHE 14 -2.230 -1.969 6.189
87 HB3 PHE 14 1HB PHE 14 -1.881 -3.261 5.044
88 HD1 PHE 14 1HD PHE 14 -0.715 -1.598 8.159
89 HD2 PHE 14 2HD PHE 14 -0.337 -5.011 5.578
90 HE1 PHE 14 1HE PHE 14 0.646 -2.751 9.882
91 HE2 PHE 14 2HE PHE 14 1.023 -6.163 7.300
92 HZ PHE 14 HZ PHE 14 1.516 -5.033 9.453
93 H VAL 15 H VAL 15 -1.106 -2.875 2.759
94 HA VAL 15 HA VAL 15 1.189 -4.540 2.467
95 HB VAL 15 HB VAL 15 -0.872 -3.446 0.526
96 HG11 VAL 15 1HG1 VAL 15 0.996 -4.053 -0.858
97 HG12 VAL 15 2HG1 VAL 15 -0.146 -5.394 -0.935
98 HG13 VAL 15 3HG1 VAL 15 1.293 -5.519 0.076
99 HG21 VAL 15 3HG2 VAL 15 -0.516 -6.192 1.772
100 HG22 VAL 15 1HG2 VAL 15 -1.862 -5.665 0.764
101 HG23 VAL 15 2HG2 VAL 15 -1.634 -4.964 2.365
102 H GLY 16 H GLY 16 0.500 -1.303 1.080
103 HA2 GLY 16 2HA GLY 16 2.913 -1.109 -0.467
104 HA3 GLY 16 1HA GLY 16 1.907 0.250 0.030
105 H LEU 17 H LEU 17 2.124 -0.229 2.889
106 HA LEU 17 HA LEU 17 4.593 1.178 3.439
107 HB2 LEU 17 2HB LEU 17 2.142 0.682 4.696
108 HB3 LEU 17 1HB LEU 17 3.320 -0.123 5.724
109 HG LEU 17 HG LEU 17 3.036 2.166 6.485
110 HD11 LEU 17 1HD1 LEU 17 5.357 1.095 6.400
111 HD12 LEU 17 2HD1 LEU 17 5.310 2.852 6.546
112 HD13 LEU 17 3HD1 LEU 17 5.659 2.105 4.987
113 HD21 LEU 17 3HD2 LEU 17 4.006 3.112 3.780
114 HD22 LEU 17 1HD2 LEU 17 3.327 4.078 5.089
115 HD23 LEU 17 2HD2 LEU 17 2.292 2.984 4.171
116 H VAL 18 H VAL 18 3.593 -2.234 3.787
117 HA VAL 18 HA VAL 18 5.860 -3.166 5.284
118 HB VAL 18 HB VAL 18 3.953 -4.465 3.307
119 HG11 VAL 18 1HG1 VAL 18 4.747 -6.625 4.440
120 HG12 VAL 18 2HG1 VAL 18 6.137 -5.697 5.002
121 HG13 VAL 18 3HG1 VAL 18 5.854 -5.903 3.273
122 HG21 VAL 18 3HG2 VAL 18 3.969 -5.182 6.181
123 HG22 VAL 18 1HG2 VAL 18 2.607 -4.854 5.109
124 HG23 VAL 18 2HG2 VAL 18 3.498 -3.518 5.834
125 H LEU 19 H LEU 19 5.274 -3.153 1.734
126 HA LEU 19 HA LEU 19 7.871 -4.156 1.003
127 HB2 LEU 19 2HB LEU 19 5.462 -3.435 -0.255
128 HB3 LEU 19 1HB LEU 19 6.665 -2.350 -0.946
129 HG LEU 19 HG LEU 19 6.547 -4.368 -2.294
130 HD11 LEU 19 1HD1 LEU 19 9.061 -4.587 -0.627
131 HD12 LEU 19 2HD1 LEU 19 8.798 -3.292 -1.793
132 HD13 LEU 19 3HD1 LEU 19 8.858 -4.968 -2.336
133 HD21 LEU 19 3HD2 LEU 19 7.378 -5.957 0.144
134 HD22 LEU 19 1HD2 LEU 19 6.846 -6.569 -1.421
135 HD23 LEU 19 2HD2 LEU 19 5.691 -5.788 -0.342
136 H LEU 20 H LEU 20 6.651 -0.905 1.698
137 HA LEU 20 HA LEU 20 8.811 0.661 0.658
138 HB2 LEU 20 2HB LEU 20 6.403 1.045 2.041
139 HB3 LEU 20 1HB LEU 20 7.631 1.644 3.152
140 HG LEU 20 HG LEU 20 7.528 2.452 0.238
141 HD11 LEU 20 1HD1 LEU 20 5.447 3.178 1.245
142 HD12 LEU 20 2HD1 LEU 20 6.514 4.577 1.113
143 HD13 LEU 20 3HD1 LEU 20 6.297 3.778 2.670
144 HD21 LEU 20 3HD2 LEU 20 9.639 2.683 1.764
145 HD22 LEU 20 1HD2 LEU 20 8.729 3.969 2.556
146 HD23 LEU 20 2HD2 LEU 20 9.117 4.090 0.841
147 H THR 21 H THR 21 8.240 -0.730 3.901
148 HA THR 21 HA THR 21 10.711 0.164 5.095
149 HB THR 21 HB THR 21 8.891 -2.176 5.783
150 HG1 THR 21 1HG THR 21 7.558 -0.546 6.005
151 HG21 THR 21 3HG2 THR 21 10.642 -2.503 7.237
152 HG22 THR 21 1HG2 THR 21 9.765 -1.276 8.152
153 HG23 THR 21 2HG2 THR 21 11.156 -0.818 7.169
154 H LEU 22 H LEU 22 9.878 -2.581 3.060
155 HA LEU 22 HA LEU 22 11.980 -4.393 3.696
156 HB2 LEU 22 2HB LEU 22 9.826 -4.543 2.207
157 HB3 LEU 22 1HB LEU 22 10.895 -4.003 0.915
158 HG LEU 22 HG LEU 22 11.796 -6.265 2.660
159 HD11 LEU 22 1HD1 LEU 22 9.433 -6.769 2.018
160 HD12 LEU 22 2HD1 LEU 22 10.593 -7.880 1.290
161 HD13 LEU 22 3HD1 LEU 22 9.888 -6.583 0.324
162 HD21 LEU 22 3HD2 LEU 22 13.416 -5.642 1.064
163 HD22 LEU 22 1HD2 LEU 22 12.204 -5.308 -0.172
164 HD23 LEU 22 2HD2 LEU 22 12.581 -6.974 0.264
165 H SER 23 H SER 23 11.865 -1.998 0.986
166 HA SER 23 HA SER 23 14.819 -1.668 1.242
167 HB2 SER 23 2HB SER 23 13.291 -2.653 -1.173
168 HB3 SER 23 1HB SER 23 14.909 -1.978 -1.297
169 HG SER 23 HG SER 23 14.505 -4.402 -0.906
170 HA PRO 24 HA PRO 24 12.625 2.289 0.217
171 HB2 PRO 24 2HB PRO 24 13.312 3.678 2.466
172 HB3 PRO 24 1HB PRO 24 11.880 2.637 2.375
173 HG2 PRO 24 2HG PRO 24 14.438 2.188 3.745
174 HG3 PRO 24 1HG PRO 24 12.835 1.524 4.085
175 HD2 PRO 24 2HD PRO 24 14.971 0.226 2.780
176 HD3 PRO 24 1HD PRO 24 13.301 -0.356 2.950
177 H HIS 25 H HIS 25 14.635 1.960 -1.298
178 HA HIS 25 HA HIS 25 16.634 2.749 -2.250
179 HB2 HIS 25 2HB HIS 25 15.466 5.074 -0.721
180 HB3 HIS 25 1HB HIS 25 16.950 5.266 -1.650
181 HD1 HIS 25 1HD HIS 25 16.692 5.625 -4.133
182 HD2 HIS 25 2HD HIS 25 13.205 4.135 -2.397
183 HE1 HIS 25 1HE HIS 25 14.925 5.644 -5.944
184 H TYR 26 H TYR 26 16.898 1.320 0.342
185 HA TYR 26 HA TYR 26 19.658 2.073 0.988
186 HB2 TYR 26 2HB TYR 26 18.553 3.679 2.359
187 HB3 TYR 26 1HB TYR 26 17.309 2.531 2.839
188 HD1 TYR 26 1HD TYR 26 20.904 3.410 3.216
189 HD2 TYR 26 2HD TYR 26 17.633 1.037 4.680
190 HE1 TYR 26 1HE TYR 26 22.251 2.771 5.196
191 HE2 TYR 26 2HE TYR 26 18.983 0.401 6.659
192 HH TYR 26 HH TYR 26 21.870 0.343 6.968
193 H LYS 27 H LYS 27 20.677 0.433 2.329
194 HA LYS 27 HA LYS 27 19.115 -2.095 2.671
195 HB2 LYS 27 2HB LYS 27 21.219 -3.286 1.973
196 HB3 LYS 27 1HB LYS 27 20.486 -2.327 0.699
197 HG2 LYS 27 2HG LYS 27 22.539 -1.416 0.411
198 HG3 LYS 27 1HG LYS 27 22.238 -0.530 1.900
199 HD2 LYS 27 2HD LYS 27 24.185 -1.553 2.532
200 HD3 LYS 27 1HD LYS 27 23.073 -2.849 2.974
201 HE2 LYS 27 2HE LYS 27 23.583 -4.115 1.043
202 HE3 LYS 27 1HE LYS 27 24.273 -2.716 0.198
203 HZ1 LYS 27 3HZ LYS 27 25.970 -4.228 1.166
204 HZ2 LYS 27 1HZ LYS 27 25.393 -3.844 2.711
205 HZ3 LYS 27 2HZ LYS 27 26.079 -2.633 1.734
Start of MODEL 6
1 H1 MET 1 1HT MET 1 -20.038 -4.262 7.843
2 H2 MET 1 2HT MET 1 -19.034 -4.051 9.196
3 H3 MET 1 3HT MET 1 -20.362 -5.108 9.278
4 HA MET 1 HA MET 1 -18.412 -6.453 9.047
5 HB2 MET 1 2HB MET 1 -20.315 -6.089 6.759
6 HB3 MET 1 1HB MET 1 -18.972 -7.209 6.545
7 HG2 MET 1 2HG MET 1 -19.641 -8.469 8.518
8 HG3 MET 1 1HG MET 1 -20.918 -7.303 8.869
9 HE1 MET 1 2HE MET 1 -23.036 -6.933 7.489
10 HE2 MET 1 3HE MET 1 -23.117 -8.229 8.679
11 HE3 MET 1 1HE MET 1 -23.858 -8.436 7.083
12 H ASP 2 H ASP 2 -16.260 -5.981 8.837
13 HA ASP 2 HA ASP 2 -15.293 -4.736 6.296
14 HB2 ASP 2 2HB ASP 2 -14.637 -3.896 9.140
15 HB3 ASP 2 1HB ASP 2 -13.828 -3.272 7.705
16 H ARG 3 H ARG 3 -14.083 -6.437 5.506
17 HA ARG 3 HA ARG 3 -11.663 -7.289 6.899
18 HB2 ARG 3 2HB ARG 3 -14.158 -8.789 7.155
19 HB3 ARG 3 1HB ARG 3 -12.883 -9.774 6.441
20 HG2 ARG 3 2HG ARG 3 -11.489 -8.578 8.445
21 HG3 ARG 3 1HG ARG 3 -13.092 -8.647 9.176
22 HD2 ARG 3 2HD ARG 3 -12.932 -11.160 8.119
23 HD3 ARG 3 1HD ARG 3 -11.231 -10.859 8.524
24 HE ARG 3 HE ARG 3 -11.933 -10.375 10.845
25 HH11 ARG 3 1HH1 ARG 3 -13.083 -13.115 9.766
26 HH12 ARG 3 2HH1 ARG 3 -14.621 -13.108 10.559
27 HH21 ARG 3 1HH2 ARG 3 -14.437 -9.734 11.427
28 HH22 ARG 3 2HH2 ARG 3 -15.397 -11.171 11.509
29 H GLU 4 H GLU 4 -10.213 -8.311 5.451
30 HA GLU 4 HA GLU 4 -9.239 -8.812 3.382
31 HB2 GLU 4 2HB GLU 4 -12.028 -9.951 3.190
32 HB3 GLU 4 1HB GLU 4 -10.859 -10.166 1.890
33 HG2 GLU 4 2HG GLU 4 -9.880 -11.843 3.019
34 HG3 GLU 4 1HG GLU 4 -9.545 -10.759 4.367
35 H MET 5 H MET 5 -10.679 -6.151 3.695
36 HA MET 5 HA MET 5 -10.391 -5.216 0.964
37 HB2 MET 5 2HB MET 5 -12.847 -6.376 1.595
38 HB3 MET 5 1HB MET 5 -13.145 -4.651 1.814
39 HG2 MET 5 2HG MET 5 -11.857 -4.459 -0.493
40 HG3 MET 5 1HG MET 5 -12.370 -6.138 -0.669
41 HE1 MET 5 3HE MET 5 -14.179 -3.682 -2.838
42 HE2 MET 5 1HE MET 5 -14.727 -5.366 -2.875
43 HE3 MET 5 2HE MET 5 -13.018 -4.995 -2.677
44 H ALA 6 H ALA 6 -12.346 -4.344 3.864
45 HA ALA 6 HA ALA 6 -12.457 -2.348 5.103
46 HB1 ALA 6 1HB ALA 6 -9.485 -2.227 4.566
47 HB2 ALA 6 2HB ALA 6 -10.185 -3.498 5.568
48 HB3 ALA 6 3HB ALA 6 -10.350 -1.809 6.046
49 H ALA 7 H ALA 7 -13.476 -1.674 2.847
50 HA ALA 7 HA ALA 7 -13.920 0.080 1.367
51 HB1 ALA 7 1HB ALA 7 -13.329 1.288 3.559
52 HB2 ALA 7 2HB ALA 7 -13.236 2.232 2.072
53 HB3 ALA 7 3HB ALA 7 -11.762 1.611 2.814
54 H SER 8 H SER 8 -11.547 -1.862 0.922
55 HA SER 8 HA SER 8 -9.816 -2.197 -0.622
56 HB2 SER 8 2HB SER 8 -11.887 -0.450 -1.854
57 HB3 SER 8 1HB SER 8 -10.358 -0.559 -2.716
58 HG SER 8 HG SER 8 -12.072 -2.679 -1.895
59 H ALA 9 H ALA 9 -9.200 -0.315 1.491
60 HA ALA 9 HA ALA 9 -7.047 1.228 0.145
61 HB1 ALA 9 1HB ALA 9 -9.079 2.654 0.224
62 HB2 ALA 9 2HB ALA 9 -7.765 3.311 1.202
63 HB3 ALA 9 3HB ALA 9 -9.110 2.477 1.979
64 H GLY 10 H GLY 10 -8.587 0.480 3.325
65 HA2 GLY 10 2HA GLY 10 -6.418 1.148 5.005
66 HA3 GLY 10 1HA GLY 10 -7.609 -0.093 5.383
67 H GLY 11 H GLY 11 -7.198 -2.173 3.883
68 HA2 GLY 11 2HA GLY 11 -4.741 -3.349 4.729
69 HA3 GLY 11 1HA GLY 11 -5.819 -4.028 3.509
70 H ALA 12 H ALA 12 -5.669 -1.799 1.661
71 HA ALA 12 HA ALA 12 -3.406 -2.519 0.082
72 HB1 ALA 12 1HB ALA 12 -5.193 -0.067 0.110
73 HB2 ALA 12 2HB ALA 12 -5.413 -1.527 -0.856
74 HB3 ALA 12 3HB ALA 12 -4.061 -0.444 -1.189
75 H VAL 13 H VAL 13 -3.930 0.404 2.121
76 HA VAL 13 HA VAL 13 -1.382 1.622 1.664
77 HB VAL 13 HB VAL 13 -3.361 1.703 3.965
78 HG11 VAL 13 1HG1 VAL 13 -0.769 3.188 3.567
79 HG12 VAL 13 2HG1 VAL 13 -1.411 2.456 5.037
80 HG13 VAL 13 3HG1 VAL 13 -2.111 3.953 4.421
81 HG21 VAL 13 3HG2 VAL 13 -2.755 3.943 2.055
82 HG22 VAL 13 1HG2 VAL 13 -4.253 3.585 2.913
83 HG23 VAL 13 2HG2 VAL 13 -3.782 2.615 1.518
84 H PHE 14 H PHE 14 -2.428 -0.790 4.078
85 HA PHE 14 HA PHE 14 -0.027 -0.888 5.640
86 HB2 PHE 14 2HB PHE 14 -2.217 -1.806 6.304
87 HB3 PHE 14 1HB PHE 14 -2.122 -2.994 5.006
88 HD1 PHE 14 1HD PHE 14 -0.294 -1.813 8.058
89 HD2 PHE 14 2HD PHE 14 -1.102 -5.072 5.378
90 HE1 PHE 14 1HE PHE 14 0.961 -3.349 9.545
91 HE2 PHE 14 2HE PHE 14 0.154 -6.607 6.866
92 HZ PHE 14 HZ PHE 14 1.185 -5.746 8.950
93 H VAL 15 H VAL 15 -1.076 -2.827 2.810
94 HA VAL 15 HA VAL 15 1.208 -4.545 2.641
95 HB VAL 15 HB VAL 15 -0.773 -3.500 0.585
96 HG11 VAL 15 1HG1 VAL 15 -0.080 -5.462 -0.790
97 HG12 VAL 15 2HG1 VAL 15 1.228 -5.773 0.352
98 HG13 VAL 15 3HG1 VAL 15 1.221 -4.286 -0.598
99 HG21 VAL 15 3HG2 VAL 15 -1.475 -4.964 2.620
100 HG22 VAL 15 1HG2 VAL 15 -0.632 -6.268 1.784
101 HG23 VAL 15 2HG2 VAL 15 -2.004 -5.470 1.016
102 H GLY 16 H GLY 16 0.552 -1.352 1.156
103 HA2 GLY 16 2HA GLY 16 2.944 -1.178 -0.404
104 HA3 GLY 16 1HA GLY 16 1.983 0.199 0.135
105 H LEU 17 H LEU 17 2.216 -0.227 2.952
106 HA LEU 17 HA LEU 17 4.705 1.091 3.535
107 HB2 LEU 17 2HB LEU 17 2.543 1.182 4.832
108 HB3 LEU 17 1HB LEU 17 2.870 -0.457 5.393
109 HG LEU 17 HG LEU 17 5.182 1.287 5.767
110 HD11 LEU 17 1HD1 LEU 17 4.240 2.698 7.519
111 HD12 LEU 17 2HD1 LEU 17 2.642 1.997 7.267
112 HD13 LEU 17 3HD1 LEU 17 3.376 2.993 6.010
113 HD21 LEU 17 3HD2 LEU 17 4.760 -0.953 6.826
114 HD22 LEU 17 1HD2 LEU 17 3.448 -0.223 7.752
115 HD23 LEU 17 2HD2 LEU 17 5.108 0.316 8.000
116 H VAL 18 H VAL 18 3.658 -2.320 3.875
117 HA VAL 18 HA VAL 18 6.033 -3.300 5.162
118 HB VAL 18 HB VAL 18 3.892 -4.547 3.406
119 HG11 VAL 18 1HG1 VAL 18 4.709 -6.744 4.321
120 HG12 VAL 18 2HG1 VAL 18 6.140 -5.907 4.923
121 HG13 VAL 18 3HG1 VAL 18 5.829 -5.988 3.189
122 HG21 VAL 18 3HG2 VAL 18 3.107 -5.451 5.568
123 HG22 VAL 18 1HG2 VAL 18 3.183 -3.690 5.612
124 HG23 VAL 18 2HG2 VAL 18 4.444 -4.647 6.390
125 H LEU 19 H LEU 19 5.205 -2.759 1.748
126 HA LEU 19 HA LEU 19 7.573 -4.061 0.663
127 HB2 LEU 19 2HB LEU 19 5.170 -3.243 -0.314
128 HB3 LEU 19 1HB LEU 19 6.169 -1.886 -0.820
129 HG LEU 19 HG LEU 19 6.042 -3.629 -2.566
130 HD11 LEU 19 1HD1 LEU 19 8.143 -2.217 -2.136
131 HD12 LEU 19 2HD1 LEU 19 8.351 -3.676 -3.103
132 HD13 LEU 19 3HD1 LEU 19 8.830 -3.668 -1.407
133 HD21 LEU 19 3HD2 LEU 19 7.593 -5.427 -0.691
134 HD22 LEU 19 1HD2 LEU 19 6.856 -5.842 -2.237
135 HD23 LEU 19 2HD2 LEU 19 5.839 -5.518 -0.834
136 H LEU 20 H LEU 20 6.658 -0.702 1.475
137 HA LEU 20 HA LEU 20 9.127 0.514 0.564
138 HB2 LEU 20 2HB LEU 20 6.704 1.455 1.115
139 HB3 LEU 20 1HB LEU 20 7.399 1.682 2.719
140 HG LEU 20 HG LEU 20 9.366 2.839 1.518
141 HD11 LEU 20 1HD1 LEU 20 8.968 2.196 -0.757
142 HD12 LEU 20 2HD1 LEU 20 8.603 3.919 -0.662
143 HD13 LEU 20 3HD1 LEU 20 7.291 2.739 -0.688
144 HD21 LEU 20 3HD2 LEU 20 7.810 4.129 2.836
145 HD22 LEU 20 1HD2 LEU 20 6.570 4.015 1.587
146 HD23 LEU 20 2HD2 LEU 20 8.020 4.977 1.306
147 H THR 21 H THR 21 7.989 -0.720 3.727
148 HA THR 21 HA THR 21 10.202 0.258 5.278
149 HB THR 21 HB THR 21 7.825 -0.755 5.882
150 HG1 THR 21 1HG THR 21 8.913 0.093 7.512
151 HG21 THR 21 3HG2 THR 21 7.758 -3.005 6.521
152 HG22 THR 21 1HG2 THR 21 9.515 -3.150 6.552
153 HG23 THR 21 2HG2 THR 21 8.665 -3.064 5.012
154 H LEU 22 H LEU 22 9.920 -2.507 3.135
155 HA LEU 22 HA LEU 22 12.162 -4.021 4.206
156 HB2 LEU 22 2HB LEU 22 10.129 -4.247 2.183
157 HB3 LEU 22 1HB LEU 22 11.695 -4.591 1.452
158 HG LEU 22 HG LEU 22 12.012 -6.022 3.687
159 HD11 LEU 22 1HD1 LEU 22 9.779 -5.323 4.569
160 HD12 LEU 22 2HD1 LEU 22 9.920 -7.070 4.377
161 HD13 LEU 22 3HD1 LEU 22 9.019 -6.123 3.193
162 HD21 LEU 22 3HD2 LEU 22 11.051 -7.980 2.392
163 HD22 LEU 22 1HD2 LEU 22 12.198 -6.995 1.485
164 HD23 LEU 22 2HD2 LEU 22 10.466 -6.819 1.201
165 H SER 23 H SER 23 11.825 -1.376 1.896
166 HA SER 23 HA SER 23 13.391 -0.065 0.779
167 HB2 SER 23 2HB SER 23 14.529 -0.868 3.215
168 HB3 SER 23 1HB SER 23 15.790 -1.151 2.021
169 HG SER 23 HG SER 23 15.850 0.954 1.587
170 HA PRO 24 HA PRO 24 14.608 -3.684 -1.857
171 HB2 PRO 24 2HB PRO 24 12.753 -3.363 -3.835
172 HB3 PRO 24 1HB PRO 24 12.451 -4.317 -2.370
173 HG2 PRO 24 2HG PRO 24 11.431 -1.671 -3.123
174 HG3 PRO 24 1HG PRO 24 10.749 -2.880 -2.029
175 HD2 PRO 24 2HD PRO 24 12.141 -0.533 -1.317
176 HD3 PRO 24 1HD PRO 24 11.621 -1.846 -0.241
177 H HIS 25 H HIS 25 16.520 -2.765 -2.652
178 HA HIS 25 HA HIS 25 16.264 -0.772 -4.876
179 HB2 HIS 25 2HB HIS 25 16.898 0.112 -2.517
180 HB3 HIS 25 1HB HIS 25 18.455 -0.657 -2.805
181 HD1 HIS 25 1HD HIS 25 18.605 2.301 -2.563
182 HD2 HIS 25 2HD HIS 25 17.739 0.483 -6.215
183 HE1 HIS 25 1HE HIS 25 19.195 3.984 -4.360
184 H TYR 26 H TYR 26 18.626 -2.920 -3.201
185 HA TYR 26 HA TYR 26 20.315 -4.313 -4.027
186 HB2 TYR 26 2HB TYR 26 18.067 -5.017 -5.230
187 HB3 TYR 26 1HB TYR 26 18.866 -4.369 -6.661
188 HD1 TYR 26 1HD TYR 26 20.917 -5.393 -7.541
189 HD2 TYR 26 2HD TYR 26 18.916 -7.007 -4.099
190 HE1 TYR 26 1HE TYR 26 22.242 -7.478 -7.747
191 HE2 TYR 26 2HE TYR 26 20.242 -9.092 -4.307
192 HH TYR 26 HH TYR 26 21.601 -10.169 -6.755
193 H LYS 27 H LYS 27 21.653 -2.269 -3.962
194 HA LYS 27 HA LYS 27 22.462 -1.369 -6.707
195 HB2 LYS 27 2HB LYS 27 22.067 -0.016 -4.078
196 HB3 LYS 27 1HB LYS 27 23.370 0.583 -5.101
197 HG2 LYS 27 2HG LYS 27 20.665 0.104 -6.313
198 HG3 LYS 27 1HG LYS 27 20.938 1.563 -5.364
199 HD2 LYS 27 2HD LYS 27 21.707 2.434 -7.317
200 HD3 LYS 27 1HD LYS 27 23.177 1.534 -6.944
201 HE2 LYS 27 2HE LYS 27 22.320 -0.401 -8.247
202 HE3 LYS 27 1HE LYS 27 20.870 0.534 -8.659
203 HZ1 LYS 27 3HZ LYS 27 22.609 0.724 -10.367
204 HZ2 LYS 27 1HZ LYS 27 23.662 1.398 -9.223
205 HZ3 LYS 27 2HZ LYS 27 22.241 2.224 -9.661
Start of MODEL 7
1 H1 MET 1 1HT MET 1 -22.269 -3.794 -2.428
2 H2 MET 1 2HT MET 1 -23.356 -4.914 -3.097
3 H3 MET 1 3HT MET 1 -23.072 -3.429 -3.875
4 HA MET 1 HA MET 1 -21.179 -5.712 -3.589
5 HB2 MET 1 2HB MET 1 -23.140 -5.459 -5.347
6 HB3 MET 1 1HB MET 1 -22.036 -4.315 -6.113
7 HG2 MET 1 2HG MET 1 -21.115 -7.076 -5.314
8 HG3 MET 1 1HG MET 1 -21.907 -6.790 -6.862
9 HE1 MET 1 2HE MET 1 -21.445 -4.630 -8.064
10 HE2 MET 1 3HE MET 1 -20.412 -5.643 -9.065
11 HE3 MET 1 1HE MET 1 -19.830 -4.073 -8.487
12 H ASP 2 H ASP 2 -19.151 -4.953 -3.128
13 HA ASP 2 HA ASP 2 -18.251 -2.392 -4.406
14 HB2 ASP 2 2HB ASP 2 -17.908 -3.385 -1.564
15 HB3 ASP 2 1HB ASP 2 -17.025 -2.010 -2.224
16 H ARG 3 H ARG 3 -16.914 -5.156 -2.523
17 HA ARG 3 HA ARG 3 -15.074 -6.542 -2.862
18 HB2 ARG 3 2HB ARG 3 -16.216 -5.990 -5.453
19 HB3 ARG 3 1HB ARG 3 -14.465 -6.104 -5.609
20 HG2 ARG 3 2HG ARG 3 -14.853 -8.339 -5.708
21 HG3 ARG 3 1HG ARG 3 -14.960 -8.217 -3.953
22 HD2 ARG 3 2HD ARG 3 -17.373 -8.053 -4.032
23 HD3 ARG 3 1HD ARG 3 -17.355 -7.915 -5.801
24 HE ARG 3 HE ARG 3 -16.745 -10.391 -4.267
25 HH11 ARG 3 1HH2 ARG 3 -18.895 -10.421 -6.285
26 HH12 ARG 3 2HH2 ARG 3 -18.115 -11.082 -7.681
27 HH21 ARG 3 1HH1 ARG 3 -14.899 -10.498 -6.479
28 HH22 ARG 3 2HH1 ARG 3 -15.833 -11.125 -7.793
29 H GLU 4 H GLU 4 -14.139 -4.095 -5.311
30 HA GLU 4 HA GLU 4 -11.486 -3.786 -4.204
31 HB2 GLU 4 2HB GLU 4 -13.177 -2.266 -6.208
32 HB3 GLU 4 1HB GLU 4 -11.521 -1.788 -5.831
33 HG2 GLU 4 2HG GLU 4 -10.624 -3.829 -6.644
34 HG3 GLU 4 1HG GLU 4 -12.200 -4.617 -6.642
35 H MET 5 H MET 5 -14.459 -1.807 -4.032
36 HA MET 5 HA MET 5 -13.317 0.319 -2.425
37 HB2 MET 5 2HB MET 5 -16.025 -0.599 -3.317
38 HB3 MET 5 1HB MET 5 -15.940 0.567 -1.999
39 HG2 MET 5 2HG MET 5 -15.933 2.050 -3.751
40 HG3 MET 5 1HG MET 5 -14.200 1.738 -3.683
41 HE1 MET 5 3HE MET 5 -17.210 1.853 -6.114
42 HE2 MET 5 1HE MET 5 -17.534 0.592 -4.911
43 HE3 MET 5 2HE MET 5 -17.328 0.165 -6.605
44 H ALA 6 H ALA 6 -14.676 -2.838 -1.651
45 HA ALA 6 HA ALA 6 -15.015 -2.183 1.216
46 HB1 ALA 6 1HB ALA 6 -16.017 -4.388 1.303
47 HB2 ALA 6 2HB ALA 6 -15.380 -4.782 -0.294
48 HB3 ALA 6 3HB ALA 6 -16.629 -3.548 -0.122
49 H ALA 7 H ALA 7 -12.559 -3.596 -0.845
50 HA ALA 7 HA ALA 7 -11.177 -4.763 1.544
51 HB1 ALA 7 1HB ALA 7 -9.965 -6.086 -0.214
52 HB2 ALA 7 2HB ALA 7 -10.995 -5.328 -1.427
53 HB3 ALA 7 3HB ALA 7 -11.706 -6.366 -0.191
54 H SER 8 H SER 8 -10.545 -2.825 -1.436
55 HA SER 8 HA SER 8 -7.805 -2.207 -0.633
56 HB2 SER 8 2HB SER 8 -8.914 -2.348 -2.993
57 HB3 SER 8 1HB SER 8 -9.436 -0.700 -2.673
58 HG SER 8 HG SER 8 -7.436 -0.642 -3.679
59 H ALA 9 H ALA 9 -8.248 -1.328 1.527
60 HA ALA 9 HA ALA 9 -8.825 1.590 1.457
61 HB1 ALA 9 1HB ALA 9 -10.296 -0.527 3.037
62 HB2 ALA 9 2HB ALA 9 -10.970 0.719 1.986
63 HB3 ALA 9 3HB ALA 9 -10.281 1.162 3.548
64 H GLY 10 H GLY 10 -8.303 -0.955 3.960
65 HA2 GLY 10 2HA GLY 10 -6.117 0.739 5.090
66 HA3 GLY 10 1HA GLY 10 -7.038 -0.455 6.002
67 H GLY 11 H GLY 11 -6.910 -2.692 4.409
68 HA2 GLY 11 2HA GLY 11 -4.391 -3.828 4.987
69 HA3 GLY 11 1HA GLY 11 -5.544 -4.501 3.837
70 H ALA 12 H ALA 12 -5.592 -2.571 1.851
71 HA ALA 12 HA ALA 12 -3.280 -3.139 0.282
72 HB1 ALA 12 1HB ALA 12 -5.202 -0.799 0.066
73 HB2 ALA 12 2HB ALA 12 -5.534 -2.424 -0.533
74 HB3 ALA 12 3HB ALA 12 -4.225 -1.475 -1.237
75 H VAL 13 H VAL 13 -4.108 -0.216 2.187
76 HA VAL 13 HA VAL 13 -1.790 1.339 1.529
77 HB VAL 13 HB VAL 13 -3.572 1.255 3.995
78 HG11 VAL 13 1HG1 VAL 13 -1.603 3.381 3.084
79 HG12 VAL 13 2HG1 VAL 13 -1.472 2.397 4.542
80 HG13 VAL 13 3HG1 VAL 13 -2.771 3.580 4.390
81 HG21 VAL 13 3HG2 VAL 13 -3.573 3.065 1.556
82 HG22 VAL 13 1HG2 VAL 13 -4.685 3.174 2.919
83 HG23 VAL 13 2HG2 VAL 13 -4.726 1.767 1.858
84 H PHE 14 H PHE 14 -2.394 -1.085 4.073
85 HA PHE 14 HA PHE 14 0.081 -0.809 5.502
86 HB2 PHE 14 2HB PHE 14 -2.166 -2.042 6.033
87 HB3 PHE 14 1HB PHE 14 -1.440 -3.390 5.160
88 HD1 PHE 14 1HD PHE 14 -1.078 -1.147 8.092
89 HD2 PHE 14 2HD PHE 14 0.372 -4.663 6.094
90 HE1 PHE 14 1HE PHE 14 0.230 -1.754 10.108
91 HE2 PHE 14 2HE PHE 14 1.680 -5.270 8.113
92 HZ PHE 14 HZ PHE 14 1.609 -3.815 10.119
93 H VAL 15 H VAL 15 -0.883 -2.902 2.761
94 HA VAL 15 HA VAL 15 1.512 -4.439 2.521
95 HB VAL 15 HB VAL 15 -0.546 -3.492 0.493
96 HG11 VAL 15 1HG1 VAL 15 1.426 -5.783 0.218
97 HG12 VAL 15 2HG1 VAL 15 1.587 -4.226 -0.599
98 HG13 VAL 15 3HG1 VAL 15 0.222 -5.278 -0.969
99 HG21 VAL 15 3HG2 VAL 15 -0.452 -6.315 1.351
100 HG22 VAL 15 1HG2 VAL 15 -1.836 -5.238 1.172
101 HG23 VAL 15 2HG2 VAL 15 -0.859 -5.182 2.639
102 H GLY 16 H GLY 16 0.618 -1.246 1.183
103 HA2 GLY 16 2HA GLY 16 2.958 -0.868 -0.434
104 HA3 GLY 16 1HA GLY 16 1.920 0.425 0.172
105 H LEU 17 H LEU 17 2.183 -0.014 2.943
106 HA LEU 17 HA LEU 17 4.697 1.312 3.517
107 HB2 LEU 17 2HB LEU 17 2.269 0.386 4.935
108 HB3 LEU 17 1HB LEU 17 3.726 0.405 5.927
109 HG LEU 17 HG LEU 17 4.084 2.784 4.871
110 HD11 LEU 17 1HD1 LEU 17 1.067 2.581 4.729
111 HD12 LEU 17 2HD1 LEU 17 2.102 2.433 3.309
112 HD13 LEU 17 3HD1 LEU 17 2.084 3.934 4.234
113 HD21 LEU 17 3HD2 LEU 17 1.923 2.270 6.943
114 HD22 LEU 17 1HD2 LEU 17 2.833 3.769 6.746
115 HD23 LEU 17 2HD2 LEU 17 3.655 2.300 7.271
116 H VAL 18 H VAL 18 3.510 -2.037 3.986
117 HA VAL 18 HA VAL 18 5.794 -3.086 5.367
118 HB VAL 18 HB VAL 18 3.694 -4.275 3.518
119 HG11 VAL 18 1HG1 VAL 18 5.926 -5.659 5.023
120 HG12 VAL 18 2HG1 VAL 18 5.505 -5.815 3.318
121 HG13 VAL 18 3HG1 VAL 18 4.446 -6.496 4.551
122 HG21 VAL 18 3HG2 VAL 18 4.073 -4.731 6.481
123 HG22 VAL 18 1HG2 VAL 18 2.619 -4.973 5.511
124 HG23 VAL 18 2HG2 VAL 18 3.173 -3.340 5.876
125 H LEU 19 H LEU 19 5.009 -2.892 1.880
126 HA LEU 19 HA LEU 19 7.420 -4.116 0.891
127 HB2 LEU 19 2HB LEU 19 5.167 -3.607 -0.266
128 HB3 LEU 19 1HB LEU 19 5.784 -1.969 -0.478
129 HG LEU 19 HG LEU 19 7.899 -3.227 -1.456
130 HD11 LEU 19 1HD1 LEU 19 7.322 -5.493 -1.083
131 HD12 LEU 19 2HD1 LEU 19 6.977 -5.238 -2.794
132 HD13 LEU 19 3HD1 LEU 19 5.660 -5.248 -1.622
133 HD21 LEU 19 3HD2 LEU 19 5.381 -3.168 -3.132
134 HD22 LEU 19 1HD2 LEU 19 7.036 -2.826 -3.637
135 HD23 LEU 19 2HD2 LEU 19 6.178 -1.686 -2.602
136 H LEU 20 H LEU 20 6.549 -0.738 1.665
137 HA LEU 20 HA LEU 20 8.878 0.562 0.639
138 HB2 LEU 20 2HB LEU 20 6.525 1.232 1.996
139 HB3 LEU 20 1HB LEU 20 7.799 1.705 3.113
140 HG LEU 20 HG LEU 20 7.299 3.584 1.670
141 HD11 LEU 20 1HD1 LEU 20 9.477 4.096 0.885
142 HD12 LEU 20 2HD1 LEU 20 9.851 2.402 0.565
143 HD13 LEU 20 3HD1 LEU 20 9.733 2.981 2.227
144 HD21 LEU 20 3HD2 LEU 20 7.141 3.482 -0.659
145 HD22 LEU 20 1HD2 LEU 20 6.454 1.927 -0.186
146 HD23 LEU 20 2HD2 LEU 20 8.118 2.017 -0.764
147 H THR 21 H THR 21 8.221 -0.868 3.856
148 HA THR 21 HA THR 21 10.712 -0.130 5.093
149 HB THR 21 HB THR 21 8.851 -2.483 5.598
150 HG1 THR 21 1HG THR 21 7.561 -0.928 6.153
151 HG21 THR 21 3HG2 THR 21 10.784 -1.094 7.475
152 HG22 THR 21 1HG2 THR 21 11.080 -2.655 6.709
153 HG23 THR 21 2HG2 THR 21 9.755 -2.474 7.857
154 H LEU 22 H LEU 22 9.721 -2.932 3.130
155 HA LEU 22 HA LEU 22 12.137 -4.484 3.510
156 HB2 LEU 22 2HB LEU 22 9.672 -4.519 1.870
157 HB3 LEU 22 1HB LEU 22 11.062 -5.275 1.100
158 HG LEU 22 HG LEU 22 9.789 -6.934 2.371
159 HD11 LEU 22 1HD1 LEU 22 12.403 -6.839 2.313
160 HD12 LEU 22 2HD1 LEU 22 11.605 -7.968 3.406
161 HD13 LEU 22 3HD1 LEU 22 12.250 -6.450 4.027
162 HD21 LEU 22 3HD2 LEU 22 9.650 -6.755 4.846
163 HD22 LEU 22 1HD2 LEU 22 8.789 -5.442 4.046
164 HD23 LEU 22 2HD2 LEU 22 10.374 -5.150 4.760
165 H SER 23 H SER 23 10.999 -2.364 0.841
166 HA SER 23 HA SER 23 13.860 -1.973 0.044
167 HB2 SER 23 2HB SER 23 13.005 -2.022 -2.330
168 HB3 SER 23 1HB SER 23 12.862 -3.556 -1.487
169 HG SER 23 HG SER 23 10.848 -1.609 -1.995
170 HA PRO 24 HA PRO 24 11.881 2.106 0.828
171 HB2 PRO 24 2HB PRO 24 14.172 3.328 1.677
172 HB3 PRO 24 1HB PRO 24 13.130 2.367 2.746
173 HG2 PRO 24 2HG PRO 24 15.665 1.592 1.391
174 HG3 PRO 24 1HG PRO 24 15.104 1.232 3.034
175 HD2 PRO 24 2HD PRO 24 14.974 -0.576 1.033
176 HD3 PRO 24 1HD PRO 24 13.786 -0.517 2.356
177 H HIS 25 H HIS 25 11.896 3.881 -0.570
178 HA HIS 25 HA HIS 25 13.875 3.816 -2.824
179 HB2 HIS 25 2HB HIS 25 10.935 4.378 -2.569
180 HB3 HIS 25 1HB HIS 25 11.832 5.149 -3.877
181 HD1 HIS 25 1HD HIS 25 13.150 3.488 -5.523
182 HD2 HIS 25 2HD HIS 25 10.373 1.673 -2.996
183 HE1 HIS 25 1HE HIS 25 12.723 1.176 -6.468
184 H TYR 26 H TYR 26 14.819 5.102 -0.636
185 HA TYR 26 HA TYR 26 14.226 8.018 -0.949
186 HB2 TYR 26 2HB TYR 26 15.507 6.300 1.187
187 HB3 TYR 26 1HB TYR 26 15.605 8.057 1.226
188 HD1 TYR 26 2HD TYR 26 13.578 9.435 1.533
189 HD2 TYR 26 1HD TYR 26 13.405 5.142 1.584
190 HE1 TYR 26 2HE TYR 26 11.315 9.538 2.537
191 HE2 TYR 26 1HE TYR 26 11.142 5.245 2.589
192 HH TYR 26 HH TYR 26 9.913 7.715 4.107
193 H LYS 27 H LYS 27 16.227 9.456 -0.779
194 HA LYS 27 HA LYS 27 18.722 8.225 -1.850
195 HB2 LYS 27 2HB LYS 27 17.016 9.055 -3.638
196 HB3 LYS 27 1HB LYS 27 17.512 10.671 -3.136
197 HG2 LYS 27 2HG LYS 27 19.817 8.938 -3.544
198 HG3 LYS 27 1HG LYS 27 18.819 9.030 -4.994
199 HD2 LYS 27 2HD LYS 27 20.186 10.881 -5.294
200 HD3 LYS 27 1HD LYS 27 18.815 11.617 -4.464
201 HE2 LYS 27 2HE LYS 27 19.982 11.881 -2.470
202 HE3 LYS 27 1HE LYS 27 21.065 10.516 -2.800
203 HZ1 LYS 27 3HZ LYS 27 21.053 13.078 -4.313
204 HZ2 LYS 27 1HZ LYS 27 22.110 11.775 -4.559
205 HZ3 LYS 27 2HZ LYS 27 22.178 12.662 -3.112
Start of MODEL 8
1 H1 MET 1 1HT MET 1 -11.249 6.809 -12.332
2 H2 MET 1 2HT MET 1 -12.677 6.956 -11.423
3 H3 MET 1 3HT MET 1 -12.412 5.579 -12.380
4 HA MET 1 HA MET 1 -10.768 4.734 -10.966
5 HB2 MET 1 2HB MET 1 -9.626 6.101 -9.355
6 HB3 MET 1 1HB MET 1 -9.694 7.031 -10.847
7 HG2 MET 1 2HG MET 1 -11.883 8.044 -9.835
8 HG3 MET 1 1HG MET 1 -11.267 7.420 -8.306
9 HE1 MET 1 2HE MET 1 -8.273 9.301 -7.386
10 HE2 MET 1 3HE MET 1 -9.099 7.746 -7.404
11 HE3 MET 1 1HE MET 1 -9.917 9.184 -6.768
12 H ASP 2 H ASP 2 -10.984 4.173 -8.529
13 HA ASP 2 HA ASP 2 -13.893 4.089 -7.849
14 HB2 ASP 2 2HB ASP 2 -11.536 2.418 -6.912
15 HB3 ASP 2 1HB ASP 2 -13.236 2.095 -6.571
16 H ARG 3 H ARG 3 -13.763 3.567 -5.124
17 HA ARG 3 HA ARG 3 -12.045 5.505 -3.751
18 HB2 ARG 3 2HB ARG 3 -14.017 6.716 -4.969
19 HB3 ARG 3 1HB ARG 3 -15.012 6.051 -3.674
20 HG2 ARG 3 2HG ARG 3 -14.028 7.361 -2.050
21 HG3 ARG 3 1HG ARG 3 -12.480 7.427 -2.891
22 HD2 ARG 3 2HD ARG 3 -13.296 9.615 -3.189
23 HD3 ARG 3 1HD ARG 3 -13.828 8.823 -4.684
24 HE ARG 3 HE ARG 3 -15.639 8.959 -2.303
25 HH11 ARG 3 1HH1 ARG 3 -16.523 7.548 -4.793
26 HH12 ARG 3 2HH1 ARG 3 -17.436 8.770 -5.608
27 HH21 ARG 3 1HH2 ARG 3 -16.121 11.378 -3.706
28 HH22 ARG 3 2HH2 ARG 3 -17.208 10.960 -4.986
29 H GLU 4 H GLU 4 -11.729 4.767 -1.706
30 HA GLU 4 HA GLU 4 -11.887 3.463 0.228
31 HB2 GLU 4 2HB GLU 4 -14.585 4.598 -0.331
32 HB3 GLU 4 1HB GLU 4 -14.464 3.394 0.952
33 HG2 GLU 4 2HG GLU 4 -12.911 4.686 2.187
34 HG3 GLU 4 1HG GLU 4 -12.555 5.727 0.809
35 H MET 5 H MET 5 -11.586 1.885 -1.956
36 HA MET 5 HA MET 5 -12.624 -0.675 -1.106
37 HB2 MET 5 2HB MET 5 -14.055 -1.122 -3.075
38 HB3 MET 5 1HB MET 5 -14.665 0.223 -2.123
39 HG2 MET 5 2HG MET 5 -14.764 1.315 -4.109
40 HG3 MET 5 1HG MET 5 -13.024 1.509 -3.925
41 HE1 MET 5 3HE MET 5 -15.483 1.080 -6.029
42 HE2 MET 5 1HE MET 5 -15.864 -0.651 -5.972
43 HE3 MET 5 2HE MET 5 -15.021 0.027 -7.361
44 H ALA 6 H ALA 6 -11.115 1.215 -3.721
45 HA ALA 6 HA ALA 6 -9.910 -0.970 -5.143
46 HB1 ALA 6 1HB ALA 6 -9.443 2.004 -4.896
47 HB2 ALA 6 2HB ALA 6 -10.170 1.118 -6.235
48 HB3 ALA 6 3HB ALA 6 -8.435 1.003 -5.941
49 H ALA 7 H ALA 7 -8.315 1.430 -2.952
50 HA ALA 7 HA ALA 7 -6.699 -0.691 -1.698
51 HB1 ALA 7 1HB ALA 7 -4.597 0.645 -2.571
52 HB2 ALA 7 2HB ALA 7 -5.709 1.133 -3.850
53 HB3 ALA 7 3HB ALA 7 -5.366 -0.576 -3.585
54 H SER 8 H SER 8 -8.463 1.600 -0.786
55 HA SER 8 HA SER 8 -6.432 2.959 0.955
56 HB2 SER 8 2HB SER 8 -7.881 4.980 0.772
57 HB3 SER 8 1HB SER 8 -7.244 4.467 -0.785
58 HG SER 8 HG SER 8 -9.771 4.792 -0.075
59 H ALA 9 H ALA 9 -7.968 0.549 1.581
60 HA ALA 9 HA ALA 9 -9.983 1.503 3.555
61 HB1 ALA 9 1HB ALA 9 -10.592 -0.293 2.006
62 HB2 ALA 9 2HB ALA 9 -10.531 -0.922 3.653
63 HB3 ALA 9 3HB ALA 9 -9.205 -1.245 2.538
64 H GLY 10 H GLY 10 -6.703 1.220 3.630
65 HA2 GLY 10 2HA GLY 10 -5.457 1.390 5.694
66 HA3 GLY 10 1HA GLY 10 -6.709 0.442 6.502
67 H GLY 11 H GLY 11 -6.927 -1.633 4.526
68 HA2 GLY 11 2HA GLY 11 -4.710 -3.326 5.331
69 HA3 GLY 11 1HA GLY 11 -6.005 -3.777 4.219
70 H ALA 12 H ALA 12 -5.803 -1.988 2.183
71 HA ALA 12 HA ALA 12 -3.578 -2.928 0.632
72 HB1 ALA 12 1HB ALA 12 -5.560 -2.200 -0.471
73 HB2 ALA 12 2HB ALA 12 -4.346 -0.983 -0.867
74 HB3 ALA 12 3HB ALA 12 -5.551 -0.652 0.376
75 H VAL 13 H VAL 13 -4.106 0.123 2.427
76 HA VAL 13 HA VAL 13 -1.718 1.486 1.620
77 HB VAL 13 HB VAL 13 -3.343 1.595 4.192
78 HG11 VAL 13 1HG1 VAL 13 -2.389 3.932 4.337
79 HG12 VAL 13 2HG1 VAL 13 -1.258 3.484 3.060
80 HG13 VAL 13 3HG1 VAL 13 -1.212 2.647 4.613
81 HG21 VAL 13 3HG2 VAL 13 -3.420 3.343 1.708
82 HG22 VAL 13 1HG2 VAL 13 -4.446 3.512 3.131
83 HG23 VAL 13 2HG2 VAL 13 -4.604 2.096 2.095
84 H PHE 14 H PHE 14 -2.371 -0.819 4.262
85 HA PHE 14 HA PHE 14 0.195 -0.684 5.553
86 HB2 PHE 14 2HB PHE 14 -2.040 -1.669 6.348
87 HB3 PHE 14 1HB PHE 14 -1.644 -3.084 5.374
88 HD1 PHE 14 1HD PHE 14 -0.668 -1.057 8.308
89 HD2 PHE 14 2HD PHE 14 0.135 -4.601 6.017
90 HE1 PHE 14 1HE PHE 14 0.765 -1.919 10.141
91 HE2 PHE 14 2HE PHE 14 1.567 -5.462 7.850
92 HZ PHE 14 HZ PHE 14 1.882 -4.121 9.912
93 H VAL 15 H VAL 15 -1.067 -2.746 2.911
94 HA VAL 15 HA VAL 15 1.159 -4.515 2.634
95 HB VAL 15 HB VAL 15 -0.807 -3.407 0.594
96 HG11 VAL 15 1HG1 VAL 15 0.959 -4.390 -0.665
97 HG12 VAL 15 2HG1 VAL 15 -0.292 -5.629 -0.571
98 HG13 VAL 15 3HG1 VAL 15 1.127 -5.729 0.471
99 HG21 VAL 15 3HG2 VAL 15 -2.329 -4.831 1.466
100 HG22 VAL 15 1HG2 VAL 15 -1.235 -5.049 2.830
101 HG23 VAL 15 2HG2 VAL 15 -1.177 -6.164 1.466
102 H GLY 16 H GLY 16 0.492 -1.344 1.102
103 HA2 GLY 16 2HA GLY 16 2.869 -1.239 -0.497
104 HA3 GLY 16 1HA GLY 16 1.913 0.160 -0.007
105 H LEU 17 H LEU 17 2.168 -0.236 2.846
106 HA LEU 17 HA LEU 17 4.663 1.120 3.341
107 HB2 LEU 17 2HB LEU 17 2.368 1.042 4.630
108 HB3 LEU 17 1HB LEU 17 3.101 -0.332 5.460
109 HG LEU 17 HG LEU 17 5.155 1.280 5.739
110 HD11 LEU 17 1HD1 LEU 17 4.645 3.611 5.784
111 HD12 LEU 17 2HD1 LEU 17 2.918 3.311 5.595
112 HD13 LEU 17 3HD1 LEU 17 4.017 3.016 4.247
113 HD21 LEU 17 3HD2 LEU 17 3.955 2.273 7.810
114 HD22 LEU 17 1HD2 LEU 17 4.050 0.516 7.689
115 HD23 LEU 17 2HD2 LEU 17 2.553 1.350 7.273
116 H VAL 18 H VAL 18 3.633 -2.284 3.766
117 HA VAL 18 HA VAL 18 5.962 -3.240 5.135
118 HB VAL 18 HB VAL 18 3.912 -4.491 3.278
119 HG11 VAL 18 1HG1 VAL 18 6.226 -5.802 4.726
120 HG12 VAL 18 2HG1 VAL 18 5.789 -5.944 3.023
121 HG13 VAL 18 3HG1 VAL 18 4.779 -6.696 4.256
122 HG21 VAL 18 3HG2 VAL 18 4.396 -4.721 6.268
123 HG22 VAL 18 1HG2 VAL 18 3.071 -5.463 5.374
124 HG23 VAL 18 2HG2 VAL 18 3.165 -3.709 5.516
125 H LEU 19 H LEU 19 5.231 -2.860 1.670
126 HA LEU 19 HA LEU 19 7.649 -4.038 0.631
127 HB2 LEU 19 2HB LEU 19 5.333 -2.469 -0.298
128 HB3 LEU 19 1HB LEU 19 6.804 -2.157 -1.215
129 HG LEU 19 HG LEU 19 6.998 -4.803 -1.185
130 HD11 LEU 19 1HD1 LEU 19 4.747 -5.841 -1.336
131 HD12 LEU 19 2HD1 LEU 19 4.020 -4.301 -0.874
132 HD13 LEU 19 3HD1 LEU 19 5.052 -5.167 0.265
133 HD21 LEU 19 3HD2 LEU 19 6.840 -3.542 -3.241
134 HD22 LEU 19 1HD2 LEU 19 5.144 -3.164 -2.941
135 HD23 LEU 19 2HD2 LEU 19 5.626 -4.818 -3.316
136 H LEU 20 H LEU 20 6.757 -0.713 1.565
137 HA LEU 20 HA LEU 20 9.231 0.525 0.678
138 HB2 LEU 20 2HB LEU 20 6.766 1.409 1.325
139 HB3 LEU 20 1HB LEU 20 7.579 1.705 2.862
140 HG LEU 20 HG LEU 20 9.446 2.779 1.359
141 HD11 LEU 20 1HD1 LEU 20 8.599 3.774 -0.698
142 HD12 LEU 20 2HD1 LEU 20 7.004 3.075 -0.417
143 HD13 LEU 20 3HD1 LEU 20 8.376 2.027 -0.773
144 HD21 LEU 20 3HD2 LEU 20 6.801 3.892 2.229
145 HD22 LEU 20 1HD2 LEU 20 7.866 4.918 1.268
146 HD23 LEU 20 2HD2 LEU 20 8.421 4.272 2.810
147 H THR 21 H THR 21 8.054 -0.759 3.800
148 HA THR 21 HA THR 21 10.272 0.125 5.413
149 HB THR 21 HB THR 21 8.300 -2.171 5.671
150 HG1 THR 21 1HG THR 21 7.163 -0.368 5.891
151 HG21 THR 21 3HG2 THR 21 10.446 -1.172 7.515
152 HG22 THR 21 1HG2 THR 21 9.935 -2.828 7.189
153 HG23 THR 21 2HG2 THR 21 8.936 -1.777 8.192
154 H LEU 22 H LEU 22 9.893 -2.587 3.195
155 HA LEU 22 HA LEU 22 11.951 -4.317 4.171
156 HB2 LEU 22 2HB LEU 22 10.045 -4.601 2.410
157 HB3 LEU 22 1HB LEU 22 11.211 -3.947 1.269
158 HG LEU 22 HG LEU 22 11.128 -6.464 1.380
159 HD11 LEU 22 1HD1 LEU 22 13.851 -5.577 2.270
160 HD12 LEU 22 2HD1 LEU 22 13.176 -4.937 0.772
161 HD13 LEU 22 3HD1 LEU 22 13.400 -6.675 0.966
162 HD21 LEU 22 3HD2 LEU 22 12.566 -6.119 4.025
163 HD22 LEU 22 1HD2 LEU 22 12.036 -7.623 3.272
164 HD23 LEU 22 2HD2 LEU 22 10.846 -6.493 3.916
165 H SER 23 H SER 23 12.091 -1.997 1.433
166 HA SER 23 HA SER 23 13.820 -0.692 0.576
167 HB2 SER 23 2HB SER 23 14.198 -0.783 3.356
168 HB3 SER 23 1HB SER 23 15.786 -1.100 2.667
169 HG SER 23 HG SER 23 14.092 1.132 2.390
170 HA PRO 24 HA PRO 24 16.474 -3.568 -1.451
171 HB2 PRO 24 2HB PRO 24 18.284 -1.847 -2.556
172 HB3 PRO 24 1HB PRO 24 16.621 -2.016 -3.157
173 HG2 PRO 24 2HG PRO 24 17.787 0.077 -1.400
174 HG3 PRO 24 1HG PRO 24 16.607 0.230 -2.712
175 HD2 PRO 24 2HD PRO 24 15.921 0.258 -0.086
176 HD3 PRO 24 1HD PRO 24 14.842 -0.318 -1.376
177 H HIS 25 H HIS 25 18.639 -4.474 -1.304
178 HA HIS 25 HA HIS 25 20.558 -5.167 -0.146
179 HB2 HIS 25 2HB HIS 25 20.917 -2.658 -0.983
180 HB3 HIS 25 1HB HIS 25 20.979 -2.340 0.750
181 HD1 HIS 25 1HD HIS 25 22.632 -4.252 2.047
182 HD2 HIS 25 2HD HIS 25 23.406 -3.331 -1.945
183 HE1 HIS 25 1HE HIS 25 25.017 -4.970 1.596
184 H TYR 26 H TYR 26 18.321 -5.675 1.345
185 HA TYR 26 HA TYR 26 18.903 -4.678 4.097
186 HB2 TYR 26 2HB TYR 26 16.642 -4.868 4.515
187 HB3 TYR 26 1HB TYR 26 16.617 -4.535 2.794
188 HD1 TYR 26 1HD TYR 26 16.600 -6.655 1.209
189 HD2 TYR 26 2HD TYR 26 15.534 -6.728 5.370
190 HE1 TYR 26 1HE TYR 26 15.345 -8.761 0.851
191 HE2 TYR 26 2HE TYR 26 14.279 -8.838 5.011
192 HH TYR 26 HH TYR 26 13.120 -9.881 2.500
193 H LYS 27 H LYS 27 19.128 -7.569 2.158
194 HA LYS 27 HA LYS 27 20.152 -9.044 4.510
195 HB2 LYS 27 2HB LYS 27 17.535 -9.273 3.933
196 HB3 LYS 27 1HB LYS 27 18.162 -10.473 2.807
197 HG2 LYS 27 2HG LYS 27 17.638 -11.579 4.908
198 HG3 LYS 27 1HG LYS 27 19.386 -11.556 4.695
199 HD2 LYS 27 2HD LYS 27 18.955 -10.938 6.975
200 HD3 LYS 27 1HD LYS 27 19.440 -9.469 6.134
201 HE2 LYS 27 2HE LYS 27 16.931 -9.019 5.778
202 HE3 LYS 27 1HE LYS 27 16.650 -10.291 6.984
203 HZ1 LYS 27 3HZ LYS 27 18.148 -9.120 8.503
204 HZ2 LYS 27 1HZ LYS 27 16.831 -8.146 8.066
205 HZ3 LYS 27 2HZ LYS 27 18.352 -7.879 7.355
Start of MODEL 9
1 H1 MET 1 1HT MET 1 -8.907 3.582 -16.730
2 H2 MET 1 2HT MET 1 -9.564 2.017 -16.804
3 H3 MET 1 3HT MET 1 -7.898 2.234 -16.558
4 HA MET 1 HA MET 1 -8.414 3.371 -14.413
5 HB2 MET 1 2HB MET 1 -10.897 3.534 -15.557
6 HB3 MET 1 1HB MET 1 -11.121 2.159 -14.477
7 HG2 MET 1 2HG MET 1 -9.971 3.683 -12.693
8 HG3 MET 1 1HG MET 1 -10.397 4.998 -13.789
9 HE1 MET 1 2HE MET 1 -12.627 5.647 -14.536
10 HE2 MET 1 3HE MET 1 -12.345 6.362 -12.952
11 HE3 MET 1 1HE MET 1 -13.933 5.688 -13.357
12 H ASP 2 H ASP 2 -7.255 1.922 -13.207
13 HA ASP 2 HA ASP 2 -8.214 -0.916 -13.039
14 HB2 ASP 2 2HB ASP 2 -5.390 0.144 -13.390
15 HB3 ASP 2 1HB ASP 2 -5.787 -1.545 -13.079
16 H ARG 3 H ARG 3 -7.577 -1.988 -11.012
17 HA ARG 3 HA ARG 3 -7.734 -0.250 -8.676
18 HB2 ARG 3 2HB ARG 3 -7.545 -3.193 -9.242
19 HB3 ARG 3 1HB ARG 3 -7.270 -2.624 -7.596
20 HG2 ARG 3 2HG ARG 3 -9.462 -1.373 -7.755
21 HG3 ARG 3 1HG ARG 3 -9.754 -2.206 -9.282
22 HD2 ARG 3 2HD ARG 3 -9.183 -3.670 -6.680
23 HD3 ARG 3 1HD ARG 3 -10.820 -3.334 -7.276
24 HE ARG 3 HE ARG 3 -8.843 -5.121 -8.603
25 HH11 ARG 3 1HH2 ARG 3 -11.497 -6.157 -7.756
26 HH12 ARG 3 2HH2 ARG 3 -12.416 -6.101 -9.221
27 HH21 ARG 3 1HH1 ARG 3 -10.200 -3.933 -10.821
28 HH22 ARG 3 2HH1 ARG 3 -11.674 -4.829 -10.976
29 H GLU 4 H GLU 4 -5.210 -2.502 -9.866
30 HA GLU 4 HA GLU 4 -2.919 -2.672 -9.425
31 HB2 GLU 4 2HB GLU 4 -3.411 0.311 -9.452
32 HB3 GLU 4 1HB GLU 4 -1.805 -0.412 -9.506
33 HG2 GLU 4 2HG GLU 4 -3.919 -1.258 -11.482
34 HG3 GLU 4 1HG GLU 4 -2.970 0.200 -11.759
35 H MET 5 H MET 5 -4.560 -2.904 -7.029
36 HA MET 5 HA MET 5 -4.392 -2.918 -4.691
37 HB2 MET 5 2HB MET 5 -1.555 -2.897 -5.704
38 HB3 MET 5 1HB MET 5 -1.898 -2.979 -3.978
39 HG2 MET 5 2HG MET 5 -3.231 -5.004 -4.300
40 HG3 MET 5 1HG MET 5 -2.999 -4.905 -6.046
41 HE1 MET 5 3HE MET 5 -2.406 -7.539 -4.889
42 HE2 MET 5 1HE MET 5 -0.785 -7.919 -5.497
43 HE3 MET 5 2HE MET 5 -1.953 -7.106 -6.535
44 H ALA 6 H ALA 6 -5.122 -0.399 -5.530
45 HA ALA 6 HA ALA 6 -3.346 1.629 -4.306
46 HB1 ALA 6 1HB ALA 6 -4.715 1.813 -6.483
47 HB2 ALA 6 2HB ALA 6 -4.792 3.180 -5.372
48 HB3 ALA 6 3HB ALA 6 -6.120 2.020 -5.435
49 H ALA 7 H ALA 7 -6.591 0.217 -3.714
50 HA ALA 7 HA ALA 7 -6.580 1.516 -1.003
51 HB1 ALA 7 1HB ALA 7 -8.357 2.414 -2.279
52 HB2 ALA 7 2HB ALA 7 -9.125 1.169 -1.294
53 HB3 ALA 7 3HB ALA 7 -8.753 0.848 -2.988
54 H SER 8 H SER 8 -8.044 -1.329 -2.652
55 HA SER 8 HA SER 8 -8.501 -3.501 -1.888
56 HB2 SER 8 2HB SER 8 -5.877 -3.022 -0.447
57 HB3 SER 8 1HB SER 8 -6.551 -4.580 -0.896
58 HG SER 8 HG SER 8 -4.916 -3.338 -2.325
59 H ALA 9 H ALA 9 -9.823 -1.508 -0.361
60 HA ALA 9 HA ALA 9 -10.925 -1.133 1.656
61 HB1 ALA 9 1HB ALA 9 -10.379 -4.102 1.900
62 HB2 ALA 9 2HB ALA 9 -11.701 -3.382 0.980
63 HB3 ALA 9 3HB ALA 9 -11.654 -3.216 2.734
64 H GLY 10 H GLY 10 -8.530 -0.112 2.049
65 HA2 GLY 10 2HA GLY 10 -7.080 0.545 3.770
66 HA3 GLY 10 1HA GLY 10 -7.995 -0.489 4.861
67 H GLY 11 H GLY 11 -6.789 -2.129 2.072
68 HA2 GLY 11 2HA GLY 11 -4.722 -3.444 3.762
69 HA3 GLY 11 1HA GLY 11 -5.479 -4.156 2.338
70 H ALA 12 H ALA 12 -5.179 -1.655 0.741
71 HA ALA 12 HA ALA 12 -2.616 -2.187 -0.450
72 HB1 ALA 12 1HB ALA 12 -4.518 0.165 -0.612
73 HB2 ALA 12 2HB ALA 12 -4.457 -1.225 -1.697
74 HB3 ALA 12 3HB ALA 12 -3.135 -0.056 -1.681
75 H VAL 13 H VAL 13 -3.687 0.329 1.851
76 HA VAL 13 HA VAL 13 -1.259 1.863 1.886
77 HB VAL 13 HB VAL 13 -3.461 1.413 3.936
78 HG11 VAL 13 1HG1 VAL 13 -1.440 2.283 5.046
79 HG12 VAL 13 2HG1 VAL 13 -2.686 3.528 4.964
80 HG13 VAL 13 3HG1 VAL 13 -1.325 3.568 3.844
81 HG21 VAL 13 3HG2 VAL 13 -4.212 2.407 1.807
82 HG22 VAL 13 1HG2 VAL 13 -2.951 3.634 1.927
83 HG23 VAL 13 2HG2 VAL 13 -4.268 3.605 3.098
84 H PHE 14 H PHE 14 -2.407 -0.826 3.969
85 HA PHE 14 HA PHE 14 -0.063 -0.962 5.637
86 HB2 PHE 14 2HB PHE 14 -2.364 -1.913 6.082
87 HB3 PHE 14 1HB PHE 14 -2.013 -3.168 4.894
88 HD1 PHE 14 2HD PHE 14 -0.940 -1.725 8.150
89 HD2 PHE 14 1HD PHE 14 -0.590 -5.020 5.415
90 HE1 PHE 14 2HE PHE 14 0.270 -3.031 9.876
91 HE2 PHE 14 1HE PHE 14 0.619 -6.325 7.142
92 HZ PHE 14 HZ PHE 14 1.049 -5.330 9.372
93 H VAL 15 H VAL 15 -1.064 -2.903 2.784
94 HA VAL 15 HA VAL 15 1.261 -4.549 2.593
95 HB VAL 15 HB VAL 15 -0.799 -3.534 0.616
96 HG11 VAL 15 1HG1 VAL 15 1.184 -4.020 -0.714
97 HG12 VAL 15 2HG1 VAL 15 0.017 -5.322 -0.932
98 HG13 VAL 15 3HG1 VAL 15 1.411 -5.555 0.123
99 HG21 VAL 15 3HG2 VAL 15 -1.352 -5.174 2.505
100 HG22 VAL 15 1HG2 VAL 15 -0.325 -6.333 1.661
101 HG23 VAL 15 2HG2 VAL 15 -1.770 -5.698 0.875
102 H GLY 16 H GLY 16 0.580 -1.303 1.256
103 HA2 GLY 16 2HA GLY 16 2.939 -1.040 -0.333
104 HA3 GLY 16 1HA GLY 16 1.998 0.305 0.317
105 H LEU 17 H LEU 17 2.268 -0.169 3.071
106 HA LEU 17 HA LEU 17 4.806 1.015 3.679
107 HB2 LEU 17 2HB LEU 17 2.394 0.110 5.044
108 HB3 LEU 17 1HB LEU 17 3.830 -0.261 5.993
109 HG LEU 17 HG LEU 17 4.462 2.250 5.256
110 HD11 LEU 17 1HD1 LEU 17 1.437 2.257 5.497
111 HD12 LEU 17 2HD1 LEU 17 2.324 2.497 3.992
112 HD13 LEU 17 3HD1 LEU 17 2.478 3.667 5.301
113 HD21 LEU 17 3HD2 LEU 17 3.421 2.957 7.460
114 HD22 LEU 17 1HD2 LEU 17 4.443 1.523 7.557
115 HD23 LEU 17 2HD2 LEU 17 2.686 1.356 7.549
116 H VAL 18 H VAL 18 3.658 -2.378 3.959
117 HA VAL 18 HA VAL 18 6.006 -3.487 5.157
118 HB VAL 18 HB VAL 18 3.964 -4.658 3.232
119 HG11 VAL 18 1HG1 VAL 18 6.161 -5.960 3.524
120 HG12 VAL 18 2HG1 VAL 18 4.672 -6.829 3.887
121 HG13 VAL 18 3HG1 VAL 18 5.665 -6.198 5.200
122 HG21 VAL 18 3HG2 VAL 18 2.556 -4.776 4.996
123 HG22 VAL 18 1HG2 VAL 18 3.667 -3.710 5.856
124 HG23 VAL 18 2HG2 VAL 18 3.808 -5.459 6.032
125 H LEU 19 H LEU 19 5.152 -2.924 1.744
126 HA LEU 19 HA LEU 19 7.535 -4.138 0.612
127 HB2 LEU 19 2HB LEU 19 5.232 -3.707 -0.429
128 HB3 LEU 19 1HB LEU 19 5.735 -2.028 -0.605
129 HG LEU 19 HG LEU 19 7.631 -4.101 -1.603
130 HD11 LEU 19 1HD1 LEU 19 5.104 -3.345 -3.103
131 HD12 LEU 19 2HD1 LEU 19 5.410 -4.920 -2.370
132 HD13 LEU 19 3HD1 LEU 19 6.413 -4.361 -3.707
133 HD21 LEU 19 3HD2 LEU 19 6.633 -1.565 -2.925
134 HD22 LEU 19 1HD2 LEU 19 8.157 -2.408 -3.200
135 HD23 LEU 19 2HD2 LEU 19 7.892 -1.538 -1.690
136 H LEU 20 H LEU 20 6.614 -0.809 1.508
137 HA LEU 20 HA LEU 20 9.041 0.424 0.440
138 HB2 LEU 20 2HB LEU 20 6.485 1.192 1.352
139 HB3 LEU 20 1HB LEU 20 7.626 1.968 2.445
140 HG LEU 20 HG LEU 20 7.904 2.082 -0.569
141 HD11 LEU 20 1HD1 LEU 20 6.543 4.025 1.322
142 HD12 LEU 20 2HD1 LEU 20 5.776 3.110 0.024
143 HD13 LEU 20 3HD1 LEU 20 6.941 4.378 -0.360
144 HD21 LEU 20 3HD2 LEU 20 9.022 3.832 1.650
145 HD22 LEU 20 1HD2 LEU 20 9.381 3.971 -0.070
146 HD23 LEU 20 2HD2 LEU 20 9.925 2.557 0.833
147 H THR 21 H THR 21 7.931 -0.606 3.674
148 HA THR 21 HA THR 21 10.193 0.513 5.111
149 HB THR 21 HB THR 21 8.180 -1.624 5.868
150 HG1 THR 21 1HG THR 21 6.989 0.128 5.524
151 HG21 THR 21 3HG2 THR 21 8.770 -0.338 8.168
152 HG22 THR 21 1HG2 THR 21 10.328 -0.206 7.349
153 HG23 THR 21 2HG2 THR 21 9.615 -1.792 7.638
154 H LEU 22 H LEU 22 10.109 -2.183 3.027
155 HA LEU 22 HA LEU 22 11.579 -4.159 4.396
156 HB2 LEU 22 2HB LEU 22 11.775 -5.149 2.318
157 HB3 LEU 22 1HB LEU 22 10.413 -4.081 2.072
158 HG LEU 22 HG LEU 22 11.760 -3.897 0.137
159 HD11 LEU 22 1HD1 LEU 22 12.998 -1.505 1.281
160 HD12 LEU 22 2HD1 LEU 22 11.278 -1.644 1.631
161 HD13 LEU 22 3HD1 LEU 22 11.841 -1.667 -0.035
162 HD21 LEU 22 3HD2 LEU 22 13.847 -4.721 1.697
163 HD22 LEU 22 1HD2 LEU 22 14.284 -3.040 1.389
164 HD23 LEU 22 2HD2 LEU 22 14.004 -4.141 0.041
165 H SER 23 H SER 23 12.736 -1.042 3.371
166 HA SER 23 HA SER 23 15.497 -1.520 2.951
167 HB2 SER 23 2HB SER 23 14.587 0.907 4.445
168 HB3 SER 23 1HB SER 23 15.677 0.785 3.074
169 HG SER 23 HG SER 23 12.993 1.199 3.148
170 HA PRO 24 HA PRO 24 16.633 -2.813 7.085
171 HB2 PRO 24 2HB PRO 24 19.344 -2.790 6.729
172 HB3 PRO 24 1HB PRO 24 18.298 -4.087 6.113
173 HG2 PRO 24 2HG PRO 24 19.455 -1.754 4.668
174 HG3 PRO 24 1HG PRO 24 19.282 -3.437 4.141
175 HD2 PRO 24 2HD PRO 24 17.603 -1.485 3.330
176 HD3 PRO 24 1HD PRO 24 17.084 -3.173 3.543
177 H HIS 25 H HIS 25 17.733 -1.821 8.940
178 HA HIS 25 HA HIS 25 18.033 1.143 8.663
179 HB2 HIS 25 2HB HIS 25 17.300 -0.733 10.925
180 HB3 HIS 25 1HB HIS 25 17.688 0.963 11.210
181 HD1 HIS 25 1HD HIS 25 15.192 -1.213 9.372
182 HD2 HIS 25 2HD HIS 25 15.654 2.771 10.507
183 HE1 HIS 25 1HE HIS 25 13.000 -0.062 8.847
184 H TYR 26 H TYR 26 20.232 -0.176 7.755
185 HA TYR 26 HA TYR 26 22.197 -0.446 9.962
186 HB2 TYR 26 2HB TYR 26 23.476 -1.626 8.396
187 HB3 TYR 26 1HB TYR 26 21.839 -1.982 7.866
188 HD1 TYR 26 1HD TYR 26 20.903 -0.879 5.841
189 HD2 TYR 26 2HD TYR 26 24.960 -0.219 7.101
190 HE1 TYR 26 1HE TYR 26 21.438 0.091 3.623
191 HE2 TYR 26 2HE TYR 26 25.491 0.748 4.885
192 HH TYR 26 HH TYR 26 24.099 1.924 3.015
193 H LYS 27 H LYS 27 24.386 0.642 9.574
194 HA LYS 27 HA LYS 27 24.025 3.404 8.450
195 HB2 LYS 27 2HB LYS 27 25.368 2.374 10.959
196 HB3 LYS 27 1HB LYS 27 25.694 3.983 10.317
197 HG2 LYS 27 2HG LYS 27 23.915 4.630 11.570
198 HG3 LYS 27 1HG LYS 27 22.948 3.928 10.275
199 HD2 LYS 27 2HD LYS 27 22.062 2.825 12.115
200 HD3 LYS 27 1HD LYS 27 23.317 1.687 11.627
201 HE2 LYS 27 2HE LYS 27 24.879 2.845 13.262
202 HE3 LYS 27 1HE LYS 27 23.466 3.731 13.867
203 HZ1 LYS 27 3HZ LYS 27 23.760 0.773 13.735
204 HZ2 LYS 27 1HZ LYS 27 22.342 1.581 14.196
205 HZ3 LYS 27 2HZ LYS 27 23.745 1.723 15.143
Start of MODEL 10
1 H1 MET 1 1HT MET 1 2.814 -21.162 4.047
2 H2 MET 1 2HT MET 1 1.328 -20.757 4.763
3 H3 MET 1 3HT MET 1 2.753 -20.730 5.685
4 HA MET 1 HA MET 1 2.242 -18.476 5.193
5 HB2 MET 1 2HB MET 1 4.496 -19.892 3.868
6 HB3 MET 1 1HB MET 1 4.219 -18.234 3.339
7 HG2 MET 1 2HG MET 1 4.305 -18.906 6.275
8 HG3 MET 1 1HG MET 1 5.792 -18.625 5.371
9 HE1 MET 1 2HE MET 1 6.008 -15.198 6.698
10 HE2 MET 1 3HE MET 1 6.850 -16.359 5.679
11 HE3 MET 1 1HE MET 1 6.158 -16.870 7.229
12 H ASP 2 H ASP 2 0.401 -17.778 4.167
13 HA ASP 2 HA ASP 2 0.436 -17.545 1.226
14 HB2 ASP 2 2HB ASP 2 -1.920 -18.600 1.180
15 HB3 ASP 2 1HB ASP 2 -0.546 -19.686 1.343
16 H ARG 3 H ARG 3 -1.563 -17.059 4.172
17 HA ARG 3 HA ARG 3 -2.857 -15.260 4.894
18 HB2 ARG 3 2HB ARG 3 -0.958 -13.897 2.966
19 HB3 ARG 3 1HB ARG 3 -2.097 -13.010 3.973
20 HG2 ARG 3 2HG ARG 3 -1.002 -13.541 5.939
21 HG3 ARG 3 1HG ARG 3 -0.333 -15.039 5.288
22 HD2 ARG 3 2HD ARG 3 1.238 -13.766 3.889
23 HD3 ARG 3 1HD ARG 3 0.556 -12.241 4.494
24 HE ARG 3 HE ARG 3 1.868 -14.253 6.288
25 HH11 ARG 3 1HH2 ARG 3 0.266 -12.163 7.654
26 HH12 ARG 3 2HH2 ARG 3 1.430 -10.918 7.952
27 HH21 ARG 3 1HH1 ARG 3 3.730 -12.176 5.651
28 HH22 ARG 3 2HH1 ARG 3 3.414 -10.924 6.802
29 H GLU 4 H GLU 4 -4.523 -16.583 3.594
30 HA GLU 4 HA GLU 4 -5.460 -15.823 1.006
31 HB2 GLU 4 2HB GLU 4 -6.804 -16.995 3.456
32 HB3 GLU 4 1HB GLU 4 -7.617 -16.854 1.898
33 HG2 GLU 4 2HG GLU 4 -6.237 -18.437 0.882
34 HG3 GLU 4 1HG GLU 4 -4.922 -18.180 2.028
35 H MET 5 H MET 5 -6.138 -14.458 4.224
36 HA MET 5 HA MET 5 -7.732 -12.273 2.926
37 HB2 MET 5 2HB MET 5 -8.016 -13.774 5.532
38 HB3 MET 5 1HB MET 5 -8.734 -12.176 5.332
39 HG2 MET 5 2HG MET 5 -10.333 -12.927 3.884
40 HG3 MET 5 1HG MET 5 -9.250 -14.098 3.129
41 HE1 MET 5 3HE MET 5 -9.556 -17.277 4.946
42 HE2 MET 5 1HE MET 5 -8.199 -16.136 4.946
43 HE3 MET 5 2HE MET 5 -9.153 -16.378 3.488
44 H ALA 6 H ALA 6 -6.173 -12.739 6.128
45 HA ALA 6 HA ALA 6 -4.890 -11.242 7.427
46 HB1 ALA 6 1HB ALA 6 -3.430 -11.055 4.780
47 HB2 ALA 6 2HB ALA 6 -3.392 -12.486 5.810
48 HB3 ALA 6 3HB ALA 6 -2.731 -10.960 6.395
49 H ALA 7 H ALA 7 -7.094 -9.818 6.692
50 HA ALA 7 HA ALA 7 -7.921 -7.640 6.495
51 HB1 ALA 7 1HB ALA 7 -5.023 -6.764 6.547
52 HB2 ALA 7 2HB ALA 7 -5.884 -7.274 8.000
53 HB3 ALA 7 3HB ALA 7 -6.436 -5.864 7.096
54 H SER 8 H SER 8 -8.753 -7.666 4.424
55 HA SER 8 HA SER 8 -6.939 -7.252 2.100
56 HB2 SER 8 2HB SER 8 -9.933 -7.739 2.168
57 HB3 SER 8 1HB SER 8 -8.849 -7.952 0.798
58 HG SER 8 HG SER 8 -7.834 -9.636 1.966
59 H ALA 9 H ALA 9 -9.948 -5.811 3.451
60 HA ALA 9 HA ALA 9 -10.043 -3.518 1.741
61 HB1 ALA 9 1HB ALA 9 -11.451 -2.604 3.651
62 HB2 ALA 9 2HB ALA 9 -11.013 -4.048 4.568
63 HB3 ALA 9 3HB ALA 9 -11.945 -4.198 3.077
64 H GLY 10 H GLY 10 -8.679 -3.912 5.038
65 HA2 GLY 10 2HA GLY 10 -7.228 -1.330 4.725
66 HA3 GLY 10 1HA GLY 10 -7.467 -2.190 6.246
67 H GLY 11 H GLY 11 -6.422 -3.812 3.281
68 HA2 GLY 11 2HA GLY 11 -3.849 -4.474 4.626
69 HA3 GLY 11 1HA GLY 11 -4.618 -5.444 3.373
70 H ALA 12 H ALA 12 -5.197 -3.495 1.450
71 HA ALA 12 HA ALA 12 -2.850 -3.279 -0.070
72 HB1 ALA 12 1HB ALA 12 -4.127 -1.754 -1.433
73 HB2 ALA 12 2HB ALA 12 -5.155 -1.316 -0.069
74 HB3 ALA 12 3HB ALA 12 -5.255 -2.934 -0.765
75 H VAL 13 H VAL 13 -4.245 -0.732 2.049
76 HA VAL 13 HA VAL 13 -2.227 1.253 1.596
77 HB VAL 13 HB VAL 13 -3.943 0.711 4.054
78 HG11 VAL 13 1HG1 VAL 13 -3.655 3.078 4.547
79 HG12 VAL 13 2HG1 VAL 13 -2.701 3.304 3.081
80 HG13 VAL 13 3HG1 VAL 13 -2.066 2.328 4.406
81 HG21 VAL 13 3HG2 VAL 13 -5.379 2.531 2.947
82 HG22 VAL 13 1HG2 VAL 13 -5.425 0.939 2.192
83 HG23 VAL 13 2HG2 VAL 13 -4.451 2.225 1.480
84 H PHE 14 H PHE 14 -2.504 -1.312 4.077
85 HA PHE 14 HA PHE 14 -0.042 -0.663 5.452
86 HB2 PHE 14 2HB PHE 14 -2.164 -2.081 6.116
87 HB3 PHE 14 1HB PHE 14 -1.264 -3.409 5.383
88 HD1 PHE 14 2HD PHE 14 -1.209 -0.841 8.059
89 HD2 PHE 14 1HD PHE 14 0.708 -4.319 6.422
90 HE1 PHE 14 2HE PHE 14 0.170 -1.045 10.108
91 HE2 PHE 14 1HE PHE 14 2.087 -4.522 8.472
92 HZ PHE 14 HZ PHE 14 1.819 -2.886 10.315
93 H VAL 15 H VAL 15 -0.865 -2.947 2.830
94 HA VAL 15 HA VAL 15 1.601 -4.357 2.651
95 HB VAL 15 HB VAL 15 -0.557 -3.608 0.659
96 HG11 VAL 15 1HG1 VAL 15 0.483 -5.561 -0.693
97 HG12 VAL 15 2HG1 VAL 15 1.946 -5.246 0.241
98 HG13 VAL 15 3HG1 VAL 15 1.270 -3.985 -0.790
99 HG21 VAL 15 3HG2 VAL 15 -1.549 -5.574 1.270
100 HG22 VAL 15 1HG2 VAL 15 -0.590 -5.376 2.736
101 HG23 VAL 15 2HG2 VAL 15 -0.009 -6.417 1.438
102 H GLY 16 H GLY 16 0.596 -1.251 1.160
103 HA2 GLY 16 2HA GLY 16 2.923 -0.847 -0.447
104 HA3 GLY 16 1HA GLY 16 1.878 0.442 0.156
105 H LEU 17 H LEU 17 2.162 0.144 2.905
106 HA LEU 17 HA LEU 17 4.673 1.467 3.431
107 HB2 LEU 17 2HB LEU 17 2.249 1.191 4.686
108 HB3 LEU 17 1HB LEU 17 3.259 0.137 5.673
109 HG LEU 17 HG LEU 17 4.169 2.919 4.937
110 HD11 LEU 17 1HD1 LEU 17 2.541 2.123 7.371
111 HD12 LEU 17 2HD1 LEU 17 1.951 3.101 6.028
112 HD13 LEU 17 3HD1 LEU 17 3.238 3.713 7.065
113 HD21 LEU 17 3HD2 LEU 17 5.414 2.611 7.117
114 HD22 LEU 17 1HD2 LEU 17 5.884 1.472 5.856
115 HD23 LEU 17 2HD2 LEU 17 4.816 0.953 7.160
116 H VAL 18 H VAL 18 3.515 -1.879 4.001
117 HA VAL 18 HA VAL 18 5.826 -2.886 5.352
118 HB VAL 18 HB VAL 18 3.692 -4.126 3.587
119 HG11 VAL 18 1HG1 VAL 18 5.411 -5.721 3.354
120 HG12 VAL 18 2HG1 VAL 18 4.515 -6.305 4.755
121 HG13 VAL 18 3HG1 VAL 18 6.031 -5.430 4.981
122 HG21 VAL 18 3HG2 VAL 18 2.706 -4.816 5.644
123 HG22 VAL 18 1HG2 VAL 18 3.199 -3.145 5.911
124 HG23 VAL 18 2HG2 VAL 18 4.174 -4.466 6.555
125 H LEU 19 H LEU 19 5.044 -2.690 1.863
126 HA LEU 19 HA LEU 19 7.379 -4.035 0.873
127 HB2 LEU 19 2HB LEU 19 5.072 -3.002 -0.171
128 HB3 LEU 19 1HB LEU 19 6.245 -1.802 -0.714
129 HG LEU 19 HG LEU 19 6.816 -4.739 -1.056
130 HD11 LEU 19 1HD1 LEU 19 5.212 -2.977 -2.936
131 HD12 LEU 19 2HD1 LEU 19 4.602 -4.378 -2.055
132 HD13 LEU 19 3HD1 LEU 19 5.814 -4.590 -3.317
133 HD21 LEU 19 3HD2 LEU 19 7.665 -2.163 -2.410
134 HD22 LEU 19 1HD2 LEU 19 8.029 -3.755 -3.076
135 HD23 LEU 19 2HD2 LEU 19 8.676 -3.288 -1.504
136 H LEU 20 H LEU 20 6.738 -0.604 1.630
137 HA LEU 20 HA LEU 20 9.160 0.541 0.648
138 HB2 LEU 20 2HB LEU 20 7.055 1.696 1.415
139 HB3 LEU 20 1HB LEU 20 7.525 1.341 3.076
140 HG LEU 20 HG LEU 20 9.728 2.555 1.615
141 HD11 LEU 20 1HD1 LEU 20 7.248 4.269 1.920
142 HD12 LEU 20 2HD1 LEU 20 7.757 3.567 0.383
143 HD13 LEU 20 3HD1 LEU 20 8.793 4.733 1.207
144 HD21 LEU 20 3HD2 LEU 20 9.845 3.925 3.573
145 HD22 LEU 20 1HD2 LEU 20 9.306 2.342 4.136
146 HD23 LEU 20 2HD2 LEU 20 8.143 3.655 3.951
147 H THR 21 H THR 21 8.396 -1.036 3.754
148 HA THR 21 HA THR 21 11.025 -0.462 4.930
149 HB THR 21 HB THR 21 8.862 -2.404 5.807
150 HG1 THR 21 1HG THR 21 9.129 0.392 6.184
151 HG21 THR 21 3HG2 THR 21 11.305 -2.224 6.846
152 HG22 THR 21 1HG2 THR 21 9.886 -2.452 7.868
153 HG23 THR 21 2HG2 THR 21 10.588 -0.846 7.679
154 H LEU 22 H LEU 22 9.325 -3.345 3.640
155 HA LEU 22 HA LEU 22 11.410 -5.253 4.043
156 HB2 LEU 22 2HB LEU 22 8.860 -5.364 3.239
157 HB3 LEU 22 1HB LEU 22 9.622 -5.411 1.650
158 HG LEU 22 HG LEU 22 11.148 -7.253 2.733
159 HD11 LEU 22 1HD1 LEU 22 9.968 -6.713 5.010
160 HD12 LEU 22 2HD1 LEU 22 10.302 -8.394 4.594
161 HD13 LEU 22 3HD1 LEU 22 8.678 -7.739 4.382
162 HD21 LEU 22 3HD2 LEU 22 9.495 -8.971 2.052
163 HD22 LEU 22 1HD2 LEU 22 9.551 -7.643 0.895
164 HD23 LEU 22 2HD2 LEU 22 8.227 -7.746 2.056
165 H SER 23 H SER 23 10.719 -3.129 1.235
166 HA SER 23 HA SER 23 13.378 -3.903 0.081
167 HB2 SER 23 2HB SER 23 10.713 -3.102 -1.062
168 HB3 SER 23 1HB SER 23 12.176 -2.850 -2.006
169 HG SER 23 HG SER 23 12.262 -4.935 -2.331
170 HA PRO 24 HA PRO 24 13.884 0.461 1.448
171 HB2 PRO 24 2HB PRO 24 16.521 0.227 2.130
172 HB3 PRO 24 1HB PRO 24 15.197 -0.206 3.231
173 HG2 PRO 24 2HG PRO 24 16.944 -1.960 1.602
174 HG3 PRO 24 1HG PRO 24 16.255 -2.224 3.212
175 HD2 PRO 24 2HD PRO 24 15.277 -3.345 0.907
176 HD3 PRO 24 1HD PRO 24 14.327 -3.088 2.387
177 H HIS 25 H HIS 25 13.640 1.083 -0.796
178 HA HIS 25 HA HIS 25 16.223 1.279 -2.321
179 HB2 HIS 25 2HB HIS 25 14.055 -0.288 -2.934
180 HB3 HIS 25 1HB HIS 25 13.694 1.178 -3.843
181 HD1 HIS 25 1HD HIS 25 16.318 -1.519 -3.506
182 HD2 HIS 25 2HD HIS 25 15.387 1.655 -6.045
183 HE1 HIS 25 1HE HIS 25 17.841 -1.740 -5.516
184 H TYR 26 H TYR 26 14.902 3.293 -0.509
185 HA TYR 26 HA TYR 26 14.078 5.382 -2.484
186 HB2 TYR 26 2HB TYR 26 13.650 4.926 0.474
187 HB3 TYR 26 1HB TYR 26 13.361 6.507 -0.252
188 HD1 TYR 26 1HD TYR 26 11.625 6.801 -1.996
189 HD2 TYR 26 2HD TYR 26 12.190 3.043 0.013
190 HE1 TYR 26 1HE TYR 26 9.417 6.029 -2.815
191 HE2 TYR 26 2HE TYR 26 9.982 2.274 -0.808
192 HH TYR 26 HH TYR 26 7.651 4.185 -1.873
193 H LYS 27 H LYS 27 16.247 5.854 -3.174
194 HA LYS 27 HA LYS 27 17.646 7.802 -1.493
195 HB2 LYS 27 2HB LYS 27 19.776 6.479 -1.496
196 HB3 LYS 27 1HB LYS 27 18.497 5.743 -0.540
197 HG2 LYS 27 2HG LYS 27 18.635 3.865 -1.765
198 HG3 LYS 27 1HG LYS 27 18.269 4.772 -3.231
199 HD2 LYS 27 2HD LYS 27 21.043 5.025 -2.184
200 HD3 LYS 27 1HD LYS 27 20.601 3.461 -2.864
201 HE2 LYS 27 2HE LYS 27 21.124 4.406 -4.874
202 HE3 LYS 27 1HE LYS 27 19.556 5.222 -4.732
203 HZ1 LYS 27 3HZ LYS 27 20.697 6.984 -3.435
204 HZ2 LYS 27 1HZ LYS 27 21.228 6.881 -5.038
205 HZ3 LYS 27 2HZ LYS 27 22.185 6.242 -3.789
Start of MODEL 11
1 H1 MET 1 1HT MET 1 -6.789 1.342 10.022
2 H2 MET 1 2HT MET 1 -7.662 0.168 10.884
3 H3 MET 1 3HT MET 1 -7.029 1.523 11.690
4 HA MET 1 HA MET 1 -9.235 1.508 9.683
5 HB2 MET 1 2HB MET 1 -8.950 1.645 12.656
6 HB3 MET 1 1HB MET 1 -10.207 2.639 11.924
7 HG2 MET 1 2HG MET 1 -9.912 -0.290 11.245
8 HG3 MET 1 1HG MET 1 -10.875 0.253 12.618
9 HE1 MET 1 2HE MET 1 -12.759 -1.234 11.138
10 HE2 MET 1 3HE MET 1 -11.542 -1.373 9.872
11 HE3 MET 1 1HE MET 1 -13.174 -0.800 9.483
12 H ASP 2 H ASP 2 -8.975 3.286 8.372
13 HA ASP 2 HA ASP 2 -8.120 5.870 9.635
14 HB2 ASP 2 2HB ASP 2 -7.252 4.654 6.991
15 HB3 ASP 2 1HB ASP 2 -6.813 6.268 7.546
16 H ARG 3 H ARG 3 -9.786 7.289 9.403
17 HA ARG 3 HA ARG 3 -11.942 6.906 7.471
18 HB2 ARG 3 2HB ARG 3 -11.231 8.818 9.662
19 HB3 ARG 3 1HB ARG 3 -12.471 9.296 8.503
20 HG2 ARG 3 2HG ARG 3 -13.920 7.592 9.126
21 HG3 ARG 3 1HG ARG 3 -12.619 6.562 9.724
22 HD2 ARG 3 2HD ARG 3 -12.276 8.425 11.523
23 HD3 ARG 3 1HD ARG 3 -13.926 8.916 11.082
24 HE ARG 3 HE ARG 3 -13.183 6.229 12.153
25 HH11 ARG 3 1HH2 ARG 3 -14.922 8.071 13.731
26 HH12 ARG 3 2HH2 ARG 3 -16.511 7.500 13.355
27 HH21 ARG 3 1HH1 ARG 3 -15.476 5.705 10.552
28 HH22 ARG 3 2HH1 ARG 3 -16.828 6.147 11.537
29 H GLU 4 H GLU 4 -9.078 9.004 7.655
30 HA GLU 4 HA GLU 4 -9.721 10.953 5.707
31 HB2 GLU 4 2HB GLU 4 -7.148 9.608 6.554
32 HB3 GLU 4 1HB GLU 4 -7.165 10.921 5.377
33 HG2 GLU 4 2HG GLU 4 -8.456 11.165 8.104
34 HG3 GLU 4 1HG GLU 4 -6.780 11.619 7.801
35 H MET 5 H MET 5 -8.276 7.703 5.236
36 HA MET 5 HA MET 5 -8.341 8.031 2.297
37 HB2 MET 5 2HB MET 5 -7.410 5.890 4.226
38 HB3 MET 5 1HB MET 5 -7.414 5.634 2.483
39 HG2 MET 5 2HG MET 5 -5.374 6.601 2.460
40 HG3 MET 5 1HG MET 5 -6.199 8.125 2.780
41 HE1 MET 5 3HE MET 5 -4.009 5.244 4.150
42 HE2 MET 5 1HE MET 5 -5.628 4.848 4.755
43 HE3 MET 5 2HE MET 5 -4.342 5.276 5.878
44 H ALA 6 H ALA 6 -9.426 5.268 4.311
45 HA ALA 6 HA ALA 6 -11.337 3.923 4.208
46 HB1 ALA 6 1HB ALA 6 -12.152 6.300 4.804
47 HB2 ALA 6 2HB ALA 6 -13.355 5.136 4.250
48 HB3 ALA 6 3HB ALA 6 -12.743 6.364 3.143
49 H ALA 7 H ALA 7 -9.693 4.492 1.557
50 HA ALA 7 HA ALA 7 -11.752 3.320 -0.283
51 HB1 ALA 7 1HB ALA 7 -11.204 5.747 -0.643
52 HB2 ALA 7 2HB ALA 7 -10.862 4.722 -2.035
53 HB3 ALA 7 3HB ALA 7 -9.545 5.263 -0.995
54 H SER 8 H SER 8 -8.883 2.605 1.294
55 HA SER 8 HA SER 8 -7.751 1.055 -1.001
56 HB2 SER 8 2HB SER 8 -6.620 1.888 1.689
57 HB3 SER 8 1HB SER 8 -5.736 1.002 0.455
58 HG SER 8 HG SER 8 -6.762 3.649 0.384
59 H ALA 9 H ALA 9 -10.159 0.175 0.492
60 HA ALA 9 HA ALA 9 -11.065 -1.737 1.485
61 HB1 ALA 9 1HB ALA 9 -8.506 -3.083 0.640
62 HB2 ALA 9 2HB ALA 9 -9.684 -2.516 -0.545
63 HB3 ALA 9 3HB ALA 9 -10.144 -3.735 0.643
64 H GLY 10 H GLY 10 -8.990 -0.066 3.148
65 HA2 GLY 10 2HA GLY 10 -7.949 -0.195 5.237
66 HA3 GLY 10 1HA GLY 10 -9.182 -1.398 5.603
67 H GLY 11 H GLY 11 -6.507 -1.584 3.239
68 HA2 GLY 11 2HA GLY 11 -4.918 -3.387 4.879
69 HA3 GLY 11 1HA GLY 11 -5.811 -4.246 3.625
70 H ALA 12 H ALA 12 -5.666 -2.546 1.468
71 HA ALA 12 HA ALA 12 -3.207 -3.048 0.230
72 HB1 ALA 12 1HB ALA 12 -5.235 -2.323 -0.925
73 HB2 ALA 12 2HB ALA 12 -3.911 -1.227 -1.324
74 HB3 ALA 12 3HB ALA 12 -5.136 -0.740 -0.152
75 H VAL 13 H VAL 13 -4.132 -0.081 2.009
76 HA VAL 13 HA VAL 13 -1.793 1.470 1.590
77 HB VAL 13 HB VAL 13 -3.867 1.249 3.781
78 HG11 VAL 13 1HG1 VAL 13 -2.898 3.582 4.456
79 HG12 VAL 13 2HG1 VAL 13 -1.412 2.995 3.712
80 HG13 VAL 13 3HG1 VAL 13 -2.118 2.128 5.076
81 HG21 VAL 13 3HG2 VAL 13 -3.328 3.647 2.061
82 HG22 VAL 13 1HG2 VAL 13 -4.854 3.070 2.730
83 HG23 VAL 13 2HG2 VAL 13 -4.134 2.252 1.345
84 H PHE 14 H PHE 14 -2.476 -0.994 4.093
85 HA PHE 14 HA PHE 14 0.012 -0.704 5.531
86 HB2 PHE 14 2HB PHE 14 -2.183 -1.772 6.276
87 HB3 PHE 14 1HB PHE 14 -1.743 -3.164 5.287
88 HD1 PHE 14 1HD PHE 14 -0.881 -1.186 8.284
89 HD2 PHE 14 2HD PHE 14 0.092 -4.635 5.915
90 HE1 PHE 14 1HE PHE 14 0.546 -2.045 10.120
91 HE2 PHE 14 2HE PHE 14 1.518 -5.494 7.753
92 HZ PHE 14 HZ PHE 14 1.745 -4.199 9.857
93 H VAL 15 H VAL 15 -1.038 -2.870 2.876
94 HA VAL 15 HA VAL 15 1.302 -4.506 2.725
95 HB VAL 15 HB VAL 15 -0.683 -3.590 0.610
96 HG11 VAL 15 1HG1 VAL 15 1.338 -4.468 -0.466
97 HG12 VAL 15 2HG1 VAL 15 0.021 -5.629 -0.626
98 HG13 VAL 15 3HG1 VAL 15 1.291 -5.897 0.568
99 HG21 VAL 15 3HG2 VAL 15 -1.902 -5.575 1.120
100 HG22 VAL 15 1HG2 VAL 15 -1.489 -4.882 2.689
101 HG23 VAL 15 2HG2 VAL 15 -0.569 -6.245 2.058
102 H GLY 16 H GLY 16 0.528 -1.371 1.183
103 HA2 GLY 16 2HA GLY 16 2.904 -1.175 -0.414
104 HA3 GLY 16 1HA GLY 16 1.889 0.183 0.073
105 H LEU 17 H LEU 17 2.150 -0.185 2.922
106 HA LEU 17 HA LEU 17 4.582 1.273 3.443
107 HB2 LEU 17 2HB LEU 17 2.221 0.330 4.849
108 HB3 LEU 17 1HB LEU 17 3.660 0.101 5.838
109 HG LEU 17 HG LEU 17 4.161 2.590 4.918
110 HD11 LEU 17 1HD1 LEU 17 1.144 2.456 5.197
111 HD12 LEU 17 2HD1 LEU 17 1.997 2.611 3.661
112 HD13 LEU 17 3HD1 LEU 17 2.109 3.895 4.866
113 HD21 LEU 17 3HD2 LEU 17 4.226 2.111 7.252
114 HD22 LEU 17 1HD2 LEU 17 2.516 1.684 7.292
115 HD23 LEU 17 2HD2 LEU 17 3.001 3.366 7.080
116 H VAL 18 H VAL 18 3.683 -2.160 3.922
117 HA VAL 18 HA VAL 18 6.097 -2.992 5.237
118 HB VAL 18 HB VAL 18 4.069 -4.437 3.491
119 HG11 VAL 18 1HG1 VAL 18 5.049 -6.451 4.893
120 HG12 VAL 18 2HG1 VAL 18 6.487 -5.432 4.971
121 HG13 VAL 18 3HG1 VAL 18 5.850 -5.940 3.407
122 HG21 VAL 18 3HG2 VAL 18 4.470 -4.398 6.502
123 HG22 VAL 18 1HG2 VAL 18 3.163 -5.197 5.630
124 HG23 VAL 18 2HG2 VAL 18 3.265 -3.438 5.646
125 H LEU 19 H LEU 19 5.193 -2.741 1.799
126 HA LEU 19 HA LEU 19 7.548 -3.943 0.664
127 HB2 LEU 19 2HB LEU 19 5.326 -3.434 -0.438
128 HB3 LEU 19 1HB LEU 19 5.785 -1.733 -0.450
129 HG LEU 19 HG LEU 19 7.830 -3.555 -1.560
130 HD11 LEU 19 1HD1 LEU 19 5.324 -3.035 -3.174
131 HD12 LEU 19 2HD1 LEU 19 5.600 -4.547 -2.310
132 HD13 LEU 19 3HD1 LEU 19 6.695 -4.057 -3.601
133 HD21 LEU 19 3HD2 LEU 19 8.011 -1.102 -1.654
134 HD22 LEU 19 1HD2 LEU 19 6.482 -1.010 -2.531
135 HD23 LEU 19 2HD2 LEU 19 7.888 -1.764 -3.284
136 H LEU 20 H LEU 20 6.739 -0.599 1.609
137 HA LEU 20 HA LEU 20 9.160 0.647 0.640
138 HB2 LEU 20 2HB LEU 20 6.849 1.625 1.305
139 HB3 LEU 20 1HB LEU 20 7.461 1.578 2.958
140 HG LEU 20 HG LEU 20 9.326 2.769 0.997
141 HD11 LEU 20 1HD1 LEU 20 8.115 4.904 0.875
142 HD12 LEU 20 2HD1 LEU 20 6.757 4.199 1.751
143 HD13 LEU 20 3HD1 LEU 20 7.163 3.617 0.136
144 HD21 LEU 20 3HD2 LEU 20 8.234 3.882 3.595
145 HD22 LEU 20 1HD2 LEU 20 9.774 4.252 2.819
146 HD23 LEU 20 2HD2 LEU 20 9.515 2.669 3.552
147 H THR 21 H THR 21 8.291 -1.014 3.644
148 HA THR 21 HA THR 21 10.895 -0.281 4.903
149 HB THR 21 HB THR 21 8.571 -1.840 6.081
150 HG1 THR 21 1HG THR 21 7.594 0.020 5.632
151 HG21 THR 21 3HG2 THR 21 9.540 -0.583 8.159
152 HG22 THR 21 1HG2 THR 21 10.982 -0.411 7.157
153 HG23 THR 21 2HG2 THR 21 10.369 -2.016 7.554
154 H LEU 22 H LEU 22 10.940 -2.092 2.628
155 HA LEU 22 HA LEU 22 11.662 -4.676 3.965
156 HB2 LEU 22 2HB LEU 22 9.677 -4.801 2.522
157 HB3 LEU 22 1HB LEU 22 10.583 -4.110 1.183
158 HG LEU 22 HG LEU 22 12.186 -6.232 1.912
159 HD11 LEU 22 1HD1 LEU 22 10.649 -8.172 2.112
160 HD12 LEU 22 2HD1 LEU 22 9.285 -7.062 2.228
161 HD13 LEU 22 3HD1 LEU 22 10.516 -7.082 3.491
162 HD21 LEU 22 3HD2 LEU 22 11.419 -7.247 -0.142
163 HD22 LEU 22 1HD2 LEU 22 11.373 -5.499 -0.371
164 HD23 LEU 22 2HD2 LEU 22 9.882 -6.386 -0.056
165 H SER 23 H SER 23 12.389 -3.457 0.666
166 HA SER 23 HA SER 23 15.174 -2.855 1.270
167 HB2 SER 23 2HB SER 23 15.986 -4.825 -0.189
168 HB3 SER 23 1HB SER 23 15.465 -5.193 1.445
169 HG SER 23 HG SER 23 13.964 -5.465 -0.964
170 HA PRO 24 HA PRO 24 14.405 -0.787 -2.595
171 HB2 PRO 24 2HB PRO 24 16.890 0.278 -2.982
172 HB3 PRO 24 1HB PRO 24 15.741 0.916 -1.790
173 HG2 PRO 24 2HG PRO 24 18.130 -0.775 -1.384
174 HG3 PRO 24 1HG PRO 24 17.437 0.476 -0.342
175 HD2 PRO 24 2HD PRO 24 17.158 -2.246 0.038
176 HD3 PRO 24 1HD PRO 24 16.103 -0.999 0.736
177 H HIS 25 H HIS 25 14.117 -2.742 -3.859
178 HA HIS 25 HA HIS 25 16.235 -4.430 -4.818
179 HB2 HIS 25 2HB HIS 25 13.469 -3.789 -5.882
180 HB3 HIS 25 1HB HIS 25 14.479 -5.090 -6.505
181 HD1 HIS 25 1HD HIS 25 11.833 -4.595 -4.206
182 HD2 HIS 25 2HD HIS 25 15.351 -6.828 -4.069
183 HE1 HIS 25 1HE HIS 25 11.500 -6.345 -2.410
184 H TYR 26 H TYR 26 14.624 -1.593 -6.315
185 HA TYR 26 HA TYR 26 17.023 -1.159 -8.011
186 HB2 TYR 26 2HB TYR 26 14.935 -2.634 -8.962
187 HB3 TYR 26 1HB TYR 26 14.431 -1.012 -9.440
188 HD1 TYR 26 1HD TYR 26 17.187 -3.496 -9.671
189 HD2 TYR 26 2HD TYR 26 15.551 0.178 -11.186
190 HE1 TYR 26 1HE TYR 26 18.814 -3.541 -11.542
191 HE2 TYR 26 2HE TYR 26 17.177 0.131 -13.056
192 HH TYR 26 HH TYR 26 19.617 -1.003 -13.336
193 H LYS 27 H LYS 27 17.005 1.002 -9.008
194 HA LYS 27 HA LYS 27 15.310 2.957 -7.494
195 HB2 LYS 27 2HB LYS 27 17.851 2.860 -7.228
196 HB3 LYS 27 1HB LYS 27 17.955 3.428 -8.893
197 HG2 LYS 27 2HG LYS 27 18.001 5.459 -7.792
198 HG3 LYS 27 1HG LYS 27 16.260 5.277 -8.003
199 HD2 LYS 27 2HD LYS 27 16.132 4.233 -5.738
200 HD3 LYS 27 1HD LYS 27 17.854 4.555 -5.527
201 HE2 LYS 27 2HE LYS 27 17.459 6.974 -5.779
202 HE3 LYS 27 1HE LYS 27 15.729 6.673 -6.029
203 HZ1 LYS 27 3HZ LYS 27 17.284 5.886 -3.616
204 HZ2 LYS 27 1HZ LYS 27 15.636 5.575 -3.874
205 HZ3 LYS 27 2HZ LYS 27 16.182 7.175 -3.706
Start of MODEL 12
1 H1 MET 1 1HT MET 1 -23.937 -5.900 -4.810
2 H2 MET 1 2HT MET 1 -24.210 -6.827 -3.414
3 H3 MET 1 3HT MET 1 -23.239 -7.435 -4.670
4 HA MET 1 HA MET 1 -22.563 -4.995 -3.110
5 HB2 MET 1 2HB MET 1 -21.118 -6.419 -1.780
6 HB3 MET 1 1HB MET 1 -22.744 -7.087 -1.729
7 HG2 MET 1 2HG MET 1 -22.091 -8.692 -3.540
8 HG3 MET 1 1HG MET 1 -20.445 -8.062 -3.454
9 HE1 MET 1 2HE MET 1 -21.228 -11.712 -1.750
10 HE2 MET 1 3HE MET 1 -21.400 -10.881 -3.293
11 HE3 MET 1 1HE MET 1 -22.732 -10.878 -2.123
12 H ASP 2 H ASP 2 -20.531 -4.133 -3.698
13 HA ASP 2 HA ASP 2 -19.562 -4.898 -6.382
14 HB2 ASP 2 2HB ASP 2 -19.965 -2.528 -5.144
15 HB3 ASP 2 1HB ASP 2 -18.256 -2.764 -4.771
16 H ARG 3 H ARG 3 -17.046 -4.756 -6.606
17 HA ARG 3 HA ARG 3 -15.603 -6.066 -4.343
18 HB2 ARG 3 2HB ARG 3 -15.929 -7.078 -7.189
19 HB3 ARG 3 1HB ARG 3 -14.727 -7.713 -6.074
20 HG2 ARG 3 2HG ARG 3 -17.670 -7.649 -5.384
21 HG3 ARG 3 1HG ARG 3 -16.939 -9.000 -6.240
22 HD2 ARG 3 2HD ARG 3 -15.896 -9.784 -4.369
23 HD3 ARG 3 1HD ARG 3 -15.464 -8.158 -3.810
24 HE ARG 3 HE ARG 3 -17.979 -7.949 -3.225
25 HH11 ARG 3 1HH2 ARG 3 -18.818 -10.648 -4.083
26 HH12 ARG 3 2HH2 ARG 3 -18.720 -11.573 -2.624
27 HH21 ARG 3 1HH1 ARG 3 -16.715 -9.232 -0.988
28 HH22 ARG 3 2HH1 ARG 3 -17.513 -10.761 -0.846
29 H GLU 4 H GLU 4 -13.187 -6.482 -5.597
30 HA GLU 4 HA GLU 4 -11.210 -5.435 -6.258
31 HB2 GLU 4 2HB GLU 4 -13.358 -4.362 -8.033
32 HB3 GLU 4 1HB GLU 4 -11.764 -3.618 -8.129
33 HG2 GLU 4 2HG GLU 4 -11.371 -5.314 -9.609
34 HG3 GLU 4 1HG GLU 4 -11.043 -6.228 -8.140
35 H MET 5 H MET 5 -12.983 -4.081 -4.039
36 HA MET 5 HA MET 5 -11.467 -1.493 -4.013
37 HB2 MET 5 2HB MET 5 -14.043 -1.552 -4.534
38 HB3 MET 5 1HB MET 5 -14.195 -1.797 -2.792
39 HG2 MET 5 2HG MET 5 -14.296 0.567 -3.123
40 HG3 MET 5 1HG MET 5 -12.677 0.236 -2.504
41 HE1 MET 5 3HE MET 5 -11.260 2.215 -3.417
42 HE2 MET 5 1HE MET 5 -12.926 2.811 -3.492
43 HE3 MET 5 2HE MET 5 -11.820 3.102 -4.831
44 H ALA 6 H ALA 6 -13.063 -4.009 -2.046
45 HA ALA 6 HA ALA 6 -12.470 -3.230 0.563
46 HB1 ALA 6 1HB ALA 6 -13.801 -5.124 0.268
47 HB2 ALA 6 2HB ALA 6 -12.289 -5.831 0.837
48 HB3 ALA 6 3HB ALA 6 -12.681 -5.854 -0.882
49 H ALA 7 H ALA 7 -10.229 -4.811 -1.746
50 HA ALA 7 HA ALA 7 -8.094 -4.976 0.292
51 HB1 ALA 7 1HB ALA 7 -6.866 -6.067 -1.551
52 HB2 ALA 7 2HB ALA 7 -8.161 -5.636 -2.667
53 HB3 ALA 7 3HB ALA 7 -8.470 -6.772 -1.354
54 H SER 8 H SER 8 -8.656 -3.212 -2.796
55 HA SER 8 HA SER 8 -6.179 -1.753 -2.745
56 HB2 SER 8 2HB SER 8 -7.519 -0.243 -4.353
57 HB3 SER 8 1HB SER 8 -7.301 -1.924 -4.809
58 HG SER 8 HG SER 8 -9.458 -1.416 -5.059
59 H ALA 9 H ALA 9 -9.379 -1.031 -1.330
60 HA ALA 9 HA ALA 9 -8.419 1.634 -0.427
61 HB1 ALA 9 1HB ALA 9 -10.767 1.919 0.230
62 HB2 ALA 9 2HB ALA 9 -11.079 0.210 -0.079
63 HB3 ALA 9 3HB ALA 9 -10.682 1.291 -1.416
64 H GLY 10 H GLY 10 -6.739 0.317 0.902
65 HA2 GLY 10 2HA GLY 10 -6.735 0.579 3.528
66 HA3 GLY 10 1HA GLY 10 -7.867 -0.769 3.435
67 H GLY 11 H GLY 11 -6.985 -2.631 1.952
68 HA2 GLY 11 2HA GLY 11 -4.722 -3.809 3.153
69 HA3 GLY 11 1HA GLY 11 -5.402 -4.316 1.610
70 H ALA 12 H ALA 12 -4.926 -2.018 0.061
71 HA ALA 12 HA ALA 12 -2.228 -2.361 -0.800
72 HB1 ALA 12 1HB ALA 12 -3.876 -1.501 -2.300
73 HB2 ALA 12 2HB ALA 12 -2.751 -0.171 -2.024
74 HB3 ALA 12 3HB ALA 12 -4.306 -0.196 -1.193
75 H VAL 13 H VAL 13 -3.666 0.033 1.424
76 HA VAL 13 HA VAL 13 -1.344 1.719 1.687
77 HB VAL 13 HB VAL 13 -3.693 1.156 3.538
78 HG11 VAL 13 1HG1 VAL 13 -1.725 3.469 3.539
79 HG12 VAL 13 2HG1 VAL 13 -1.814 2.199 4.759
80 HG13 VAL 13 3HG1 VAL 13 -3.151 3.333 4.568
81 HG21 VAL 13 3HG2 VAL 13 -4.512 3.339 2.581
82 HG22 VAL 13 1HG2 VAL 13 -4.420 2.040 1.390
83 HG23 VAL 13 2HG2 VAL 13 -3.172 3.286 1.436
84 H PHE 14 H PHE 14 -2.545 -1.046 3.646
85 HA PHE 14 HA PHE 14 -0.369 -1.025 5.545
86 HB2 PHE 14 2HB PHE 14 -2.625 -2.106 5.814
87 HB3 PHE 14 1HB PHE 14 -2.132 -3.330 4.645
88 HD1 PHE 14 1HD PHE 14 -1.331 -1.862 7.973
89 HD2 PHE 14 2HD PHE 14 -0.701 -5.136 5.264
90 HE1 PHE 14 1HE PHE 14 -0.190 -3.133 9.771
91 HE2 PHE 14 2HE PHE 14 0.440 -6.404 7.062
92 HZ PHE 14 HZ PHE 14 0.696 -5.403 9.316
93 H VAL 15 H VAL 15 -0.970 -3.014 2.613
94 HA VAL 15 HA VAL 15 1.493 -4.493 2.695
95 HB VAL 15 HB VAL 15 -0.433 -3.727 0.474
96 HG11 VAL 15 1HG1 VAL 15 2.018 -5.489 0.419
97 HG12 VAL 15 2HG1 VAL 15 1.538 -4.237 -0.726
98 HG13 VAL 15 3HG1 VAL 15 0.667 -5.768 -0.680
99 HG21 VAL 15 3HG2 VAL 15 -1.468 -5.778 0.884
100 HG22 VAL 15 1HG2 VAL 15 -0.992 -5.305 2.513
101 HG23 VAL 15 2HG2 VAL 15 -0.025 -6.477 1.619
102 H GLY 16 H GLY 16 0.619 -1.366 1.220
103 HA2 GLY 16 2HA GLY 16 3.014 -0.917 -0.259
104 HA3 GLY 16 1HA GLY 16 1.936 0.349 0.334
105 H LEU 17 H LEU 17 2.149 -0.197 3.123
106 HA LEU 17 HA LEU 17 4.557 1.241 3.828
107 HB2 LEU 17 2HB LEU 17 2.313 1.183 5.010
108 HB3 LEU 17 1HB LEU 17 2.721 -0.437 5.572
109 HG LEU 17 HG LEU 17 4.859 1.512 6.069
110 HD11 LEU 17 1HD1 LEU 17 2.204 1.857 7.503
111 HD12 LEU 17 2HD1 LEU 17 2.871 2.993 6.329
112 HD13 LEU 17 3HD1 LEU 17 3.704 2.716 7.859
113 HD21 LEU 17 3HD2 LEU 17 4.704 -0.790 7.029
114 HD22 LEU 17 1HD2 LEU 17 3.251 -0.303 7.902
115 HD23 LEU 17 2HD2 LEU 17 4.800 0.450 8.279
116 H VAL 18 H VAL 18 3.595 -2.201 4.207
117 HA VAL 18 HA VAL 18 6.020 -3.120 5.449
118 HB VAL 18 HB VAL 18 3.936 -4.475 3.689
119 HG11 VAL 18 1HG1 VAL 18 6.086 -5.754 3.751
120 HG12 VAL 18 2HG1 VAL 18 4.758 -6.605 4.538
121 HG13 VAL 18 3HG1 VAL 18 5.979 -5.785 5.511
122 HG21 VAL 18 3HG2 VAL 18 2.904 -5.154 5.737
123 HG22 VAL 18 1HG2 VAL 18 3.266 -3.439 5.935
124 HG23 VAL 18 2HG2 VAL 18 4.300 -4.651 6.690
125 H LEU 19 H LEU 19 4.998 -2.846 2.049
126 HA LEU 19 HA LEU 19 7.335 -3.998 0.822
127 HB2 LEU 19 2HB LEU 19 5.084 -3.626 -0.218
128 HB3 LEU 19 1HB LEU 19 5.396 -1.892 -0.200
129 HG LEU 19 HG LEU 19 7.609 -3.355 -1.415
130 HD11 LEU 19 1HD1 LEU 19 4.950 -3.516 -2.859
131 HD12 LEU 19 2HD1 LEU 19 5.656 -4.875 -1.985
132 HD13 LEU 19 3HD1 LEU 19 6.496 -4.189 -3.375
133 HD21 LEU 19 3HD2 LEU 19 7.300 -1.678 -3.152
134 HD22 LEU 19 1HD2 LEU 19 7.103 -0.898 -1.583
135 HD23 LEU 19 2HD2 LEU 19 5.684 -1.299 -2.553
136 H LEU 20 H LEU 20 6.452 -0.657 1.736
137 HA LEU 20 HA LEU 20 8.668 0.733 0.604
138 HB2 LEU 20 2HB LEU 20 6.398 1.293 2.127
139 HB3 LEU 20 1HB LEU 20 7.722 1.764 3.183
140 HG LEU 20 HG LEU 20 8.578 2.807 0.808
141 HD11 LEU 20 1HD1 LEU 20 5.577 2.642 0.766
142 HD12 LEU 20 2HD1 LEU 20 6.725 2.431 -0.556
143 HD13 LEU 20 3HD1 LEU 20 6.381 4.045 0.062
144 HD21 LEU 20 3HD2 LEU 20 6.817 4.002 2.966
145 HD22 LEU 20 1HD2 LEU 20 7.548 4.977 1.691
146 HD23 LEU 20 2HD2 LEU 20 8.573 4.099 2.824
147 H THR 21 H THR 21 8.327 -0.962 3.728
148 HA THR 21 HA THR 21 10.904 -0.120 4.782
149 HB THR 21 HB THR 21 9.096 -2.465 5.482
150 HG1 THR 21 1HG THR 21 7.872 -0.829 6.022
151 HG21 THR 21 3HG2 THR 21 11.459 -2.564 6.370
152 HG22 THR 21 1HG2 THR 21 10.212 -2.497 7.614
153 HG23 THR 21 2HG2 THR 21 11.135 -1.051 7.215
154 H LEU 22 H LEU 22 9.761 -2.871 2.837
155 HA LEU 22 HA LEU 22 12.188 -4.443 3.065
156 HB2 LEU 22 2HB LEU 22 9.608 -4.495 1.644
157 HB3 LEU 22 1HB LEU 22 10.929 -5.181 0.705
158 HG LEU 22 HG LEU 22 9.795 -6.900 2.062
159 HD11 LEU 22 1HD1 LEU 22 12.552 -6.350 3.183
160 HD12 LEU 22 2HD1 LEU 22 12.270 -7.004 1.569
161 HD13 LEU 22 3HD1 LEU 22 11.763 -7.915 2.991
162 HD21 LEU 22 3HD2 LEU 22 9.564 -6.788 4.377
163 HD22 LEU 22 1HD2 LEU 22 9.356 -5.093 3.941
164 HD23 LEU 22 2HD2 LEU 22 10.906 -5.660 4.562
165 H SER 23 H SER 23 10.857 -2.684 0.228
166 HA SER 23 HA SER 23 11.894 -1.626 -1.581
167 HB2 SER 23 2HB SER 23 13.755 -1.087 0.736
168 HB3 SER 23 1HB SER 23 14.009 -0.370 -0.850
169 HG SER 23 HG SER 23 11.872 -0.030 0.975
170 HA PRO 24 HA PRO 24 14.604 -5.167 -2.621
171 HB2 PRO 24 2HB PRO 24 13.635 -5.525 -5.149
172 HB3 PRO 24 1HB PRO 24 12.863 -6.212 -3.707
173 HG2 PRO 24 2HG PRO 24 12.090 -3.854 -5.317
174 HG3 PRO 24 1HG PRO 24 11.076 -5.022 -4.456
175 HD2 PRO 24 2HD PRO 24 11.676 -2.485 -3.557
176 HD3 PRO 24 1HD PRO 24 11.126 -3.827 -2.533
177 H HIS 25 H HIS 25 16.315 -3.487 -2.540
178 HA HIS 25 HA HIS 25 16.946 -2.177 -5.163
179 HB2 HIS 25 2HB HIS 25 16.710 -0.842 -3.024
180 HB3 HIS 25 1HB HIS 25 18.111 -1.707 -2.396
181 HD1 HIS 25 1HD HIS 25 20.389 -1.405 -3.812
182 HD2 HIS 25 2HD HIS 25 17.337 1.295 -4.702
183 HE1 HIS 25 1HE HIS 25 21.465 0.498 -5.087
184 H TYR 26 H TYR 26 18.531 -3.940 -2.469
185 HA TYR 26 HA TYR 26 20.823 -4.658 -4.212
186 HB2 TYR 26 2HB TYR 26 20.822 -3.844 -1.722
187 HB3 TYR 26 1HB TYR 26 20.371 -5.507 -1.351
188 HD1 TYR 26 2HD TYR 26 21.866 -7.398 -2.114
189 HD2 TYR 26 1HD TYR 26 23.061 -3.275 -2.323
190 HE1 TYR 26 2HE TYR 26 24.235 -8.094 -2.337
191 HE2 TYR 26 1HE TYR 26 25.429 -3.974 -2.547
192 HH TYR 26 HH TYR 26 26.675 -6.541 -1.699
193 H LYS 27 H LYS 27 18.256 -6.245 -2.293
194 HA LYS 27 HA LYS 27 18.759 -8.797 -3.776
195 HB2 LYS 27 2HB LYS 27 17.781 -9.884 -1.821
196 HB3 LYS 27 1HB LYS 27 19.076 -8.808 -1.310
197 HG2 LYS 27 2HG LYS 27 17.529 -7.162 -0.523
198 HG3 LYS 27 1HG LYS 27 16.173 -7.946 -1.334
199 HD2 LYS 27 2HD LYS 27 16.926 -10.001 0.198
200 HD3 LYS 27 1HD LYS 27 17.554 -8.697 1.207
201 HE2 LYS 27 2HE LYS 27 15.269 -7.598 1.059
202 HE3 LYS 27 1HE LYS 27 14.684 -9.088 0.296
203 HZ1 LYS 27 3HZ LYS 27 15.986 -8.863 2.961
204 HZ2 LYS 27 1HZ LYS 27 15.587 -10.332 2.212
205 HZ3 LYS 27 2HZ LYS 27 14.360 -9.245 2.658
Start of MODEL 13
1 H1 MET 1 1HT MET 1 -8.627 6.754 -6.794
2 H2 MET 1 2HT MET 1 -10.154 6.026 -6.963
3 H3 MET 1 3HT MET 1 -9.626 6.564 -5.441
4 HA MET 1 HA MET 1 -9.751 8.855 -6.110
5 HB2 MET 1 2HB MET 1 -10.078 7.489 -8.774
6 HB3 MET 1 1HB MET 1 -10.711 9.119 -8.549
7 HG2 MET 1 2HG MET 1 -7.861 8.392 -7.839
8 HG3 MET 1 1HG MET 1 -8.318 8.948 -9.447
9 HE1 MET 1 2HE MET 1 -6.222 10.179 -7.418
10 HE2 MET 1 3HE MET 1 -6.482 11.913 -7.577
11 HE3 MET 1 1HE MET 1 -6.464 10.878 -9.015
12 H ASP 2 H ASP 2 -11.489 9.089 -4.740
13 HA ASP 2 HA ASP 2 -13.692 9.292 -4.013
14 HB2 ASP 2 2HB ASP 2 -13.735 10.042 -6.549
15 HB3 ASP 2 1HB ASP 2 -14.676 8.569 -6.758
16 H ARG 3 H ARG 3 -14.253 6.752 -6.485
17 HA ARG 3 HA ARG 3 -15.493 5.046 -4.421
18 HB2 ARG 3 2HB ARG 3 -16.079 3.646 -6.406
19 HB3 ARG 3 1HB ARG 3 -16.576 5.322 -6.592
20 HG2 ARG 3 2HG ARG 3 -13.890 4.984 -7.620
21 HG3 ARG 3 1HG ARG 3 -14.966 3.795 -8.351
22 HD2 ARG 3 2HD ARG 3 -16.556 5.996 -8.507
23 HD3 ARG 3 1HD ARG 3 -14.957 6.754 -8.640
24 HE ARG 3 HE ARG 3 -14.476 5.151 -10.514
25 HH11 ARG 3 1HH1 ARG 3 -16.940 7.036 -10.995
26 HH12 ARG 3 2HH1 ARG 3 -17.992 5.940 -11.824
27 HH21 ARG 3 1HH2 ARG 3 -16.166 3.110 -10.930
28 HH22 ARG 3 2HH2 ARG 3 -17.550 3.699 -11.785
29 H GLU 4 H GLU 4 -13.213 5.041 -3.402
30 HA GLU 4 HA GLU 4 -11.920 2.458 -3.999
31 HB2 GLU 4 2HB GLU 4 -10.858 3.974 -5.579
32 HB3 GLU 4 1HB GLU 4 -10.585 5.164 -4.312
33 HG2 GLU 4 2HG GLU 4 -9.301 3.047 -3.216
34 HG3 GLU 4 1HG GLU 4 -9.085 2.674 -4.928
35 H MET 5 H MET 5 -11.250 5.538 -2.259
36 HA MET 5 HA MET 5 -9.967 4.537 0.020
37 HB2 MET 5 2HB MET 5 -10.711 6.636 1.084
38 HB3 MET 5 1HB MET 5 -10.169 6.905 -0.569
39 HG2 MET 5 2HG MET 5 -12.725 6.574 -1.151
40 HG3 MET 5 1HG MET 5 -12.959 6.975 0.548
41 HE1 MET 5 3HE MET 5 -13.428 9.130 1.275
42 HE2 MET 5 1HE MET 5 -12.448 10.567 0.930
43 HE3 MET 5 2HE MET 5 -11.713 9.146 1.666
44 H ALA 6 H ALA 6 -13.443 4.459 -0.651
45 HA ALA 6 HA ALA 6 -14.411 3.973 2.000
46 HB1 ALA 6 1HB ALA 6 -15.449 3.110 -0.717
47 HB2 ALA 6 2HB ALA 6 -15.801 4.640 0.088
48 HB3 ALA 6 3HB ALA 6 -16.395 3.126 0.771
49 H ALA 7 H ALA 7 -13.541 1.655 -0.613
50 HA ALA 7 HA ALA 7 -13.438 -0.518 1.460
51 HB1 ALA 7 1HB ALA 7 -15.230 -0.645 -0.295
52 HB2 ALA 7 2HB ALA 7 -14.124 -2.018 -0.327
53 HB3 ALA 7 3HB ALA 7 -13.965 -0.729 -1.520
54 H SER 8 H SER 8 -12.033 0.349 -1.736
55 HA SER 8 HA SER 8 -9.658 -1.302 -1.322
56 HB2 SER 8 2HB SER 8 -11.003 -0.138 -3.458
57 HB3 SER 8 1HB SER 8 -9.531 0.817 -3.350
58 HG SER 8 HG SER 8 -9.252 -1.051 -4.641
59 H ALA 9 H ALA 9 -7.507 0.157 -2.024
60 HA ALA 9 HA ALA 9 -5.924 1.768 -1.422
61 HB1 ALA 9 1HB ALA 9 -6.671 3.882 -0.905
62 HB2 ALA 9 2HB ALA 9 -7.892 3.296 0.223
63 HB3 ALA 9 3HB ALA 9 -8.175 3.194 -1.514
64 H GLY 10 H GLY 10 -8.153 1.170 1.364
65 HA2 GLY 10 2HA GLY 10 -6.338 1.511 3.466
66 HA3 GLY 10 1HA GLY 10 -7.677 0.367 3.517
67 H GLY 11 H GLY 11 -7.019 -1.593 1.783
68 HA2 GLY 11 2HA GLY 11 -5.017 -3.119 3.134
69 HA3 GLY 11 1HA GLY 11 -5.708 -3.527 1.563
70 H ALA 12 H ALA 12 -4.910 -1.216 0.125
71 HA ALA 12 HA ALA 12 -2.268 -1.897 -0.727
72 HB1 ALA 12 1HB ALA 12 -3.657 0.770 -1.076
73 HB2 ALA 12 2HB ALA 12 -4.141 -0.676 -1.965
74 HB3 ALA 12 3HB ALA 12 -2.523 -0.009 -2.178
75 H VAL 13 H VAL 13 -3.422 0.511 1.637
76 HA VAL 13 HA VAL 13 -0.924 1.935 1.927
77 HB VAL 13 HB VAL 13 -3.316 1.543 3.764
78 HG11 VAL 13 1HG1 VAL 13 -1.274 2.251 5.014
79 HG12 VAL 13 2HG1 VAL 13 -2.519 3.499 4.995
80 HG13 VAL 13 3HG1 VAL 13 -1.121 3.635 3.929
81 HG21 VAL 13 3HG2 VAL 13 -4.306 3.270 2.653
82 HG22 VAL 13 1HG2 VAL 13 -3.193 2.852 1.353
83 HG23 VAL 13 2HG2 VAL 13 -2.790 4.151 2.474
84 H PHE 14 H PHE 14 -2.406 -0.773 3.772
85 HA PHE 14 HA PHE 14 -0.190 -1.070 5.612
86 HB2 PHE 14 2HB PHE 14 -2.684 -1.896 5.683
87 HB3 PHE 14 1HB PHE 14 -2.053 -3.301 4.822
88 HD1 PHE 14 1HD PHE 14 -0.209 -4.673 5.848
89 HD2 PHE 14 2HD PHE 14 -2.230 -1.560 8.014
90 HE1 PHE 14 1HE PHE 14 0.654 -5.595 7.981
91 HE2 PHE 14 2HE PHE 14 -1.368 -2.485 10.146
92 HZ PHE 14 HZ PHE 14 0.074 -4.502 10.129
93 H VAL 15 H VAL 15 -1.116 -2.845 2.627
94 HA VAL 15 HA VAL 15 1.143 -4.636 2.618
95 HB VAL 15 HB VAL 15 -0.718 -3.583 0.459
96 HG11 VAL 15 1HG1 VAL 15 0.056 -5.688 -0.781
97 HG12 VAL 15 2HG1 VAL 15 1.421 -5.721 0.335
98 HG13 VAL 15 3HG1 VAL 15 1.196 -4.344 -0.744
99 HG21 VAL 15 3HG2 VAL 15 -1.466 -5.084 2.485
100 HG22 VAL 15 1HG2 VAL 15 -0.662 -6.372 1.588
101 HG23 VAL 15 2HG2 VAL 15 -2.008 -5.497 0.859
102 H GLY 16 H GLY 16 0.566 -1.461 1.073
103 HA2 GLY 16 2HA GLY 16 3.058 -1.271 -0.319
104 HA3 GLY 16 1HA GLY 16 2.036 0.096 0.134
105 H LEU 17 H LEU 17 2.066 -0.330 2.974
106 HA LEU 17 HA LEU 17 4.430 1.075 3.764
107 HB2 LEU 17 2HB LEU 17 2.276 1.075 4.976
108 HB3 LEU 17 1HB LEU 17 2.486 -0.631 5.359
109 HG LEU 17 HG LEU 17 4.846 0.838 6.154
110 HD11 LEU 17 1HD1 LEU 17 3.877 2.273 7.868
111 HD12 LEU 17 2HD1 LEU 17 2.248 1.789 7.397
112 HD13 LEU 17 3HD1 LEU 17 3.239 2.745 6.293
113 HD21 LEU 17 3HD2 LEU 17 4.196 -1.336 7.065
114 HD22 LEU 17 1HD2 LEU 17 2.685 -0.661 7.676
115 HD23 LEU 17 2HD2 LEU 17 4.225 -0.149 8.368
116 H VAL 18 H VAL 18 3.573 -2.399 3.984
117 HA VAL 18 HA VAL 18 5.961 -3.280 5.323
118 HB VAL 18 HB VAL 18 3.992 -4.640 3.445
119 HG11 VAL 18 1HG1 VAL 18 6.356 -5.709 4.956
120 HG12 VAL 18 2HG1 VAL 18 5.767 -6.142 3.352
121 HG13 VAL 18 3HG1 VAL 18 4.919 -6.717 4.787
122 HG21 VAL 18 3HG2 VAL 18 2.918 -5.419 5.439
123 HG22 VAL 18 1HG2 VAL 18 3.211 -3.699 5.694
124 HG23 VAL 18 2HG2 VAL 18 4.263 -4.893 6.451
125 H LEU 19 H LEU 19 5.119 -2.909 1.881
126 HA LEU 19 HA LEU 19 7.569 -3.988 0.791
127 HB2 LEU 19 2HB LEU 19 5.163 -2.507 -0.112
128 HB3 LEU 19 1HB LEU 19 6.596 -2.264 -1.103
129 HG LEU 19 HG LEU 19 5.237 -4.149 -1.928
130 HD11 LEU 19 1HD1 LEU 19 7.703 -5.376 -0.723
131 HD12 LEU 19 2HD1 LEU 19 7.846 -4.094 -1.924
132 HD13 LEU 19 3HD1 LEU 19 7.023 -5.599 -2.334
133 HD21 LEU 19 3HD2 LEU 19 5.123 -6.231 -0.547
134 HD22 LEU 19 1HD2 LEU 19 4.233 -4.889 0.171
135 HD23 LEU 19 2HD2 LEU 19 5.815 -5.339 0.807
136 H LEU 20 H LEU 20 6.476 -0.678 1.574
137 HA LEU 20 HA LEU 20 8.744 0.749 0.583
138 HB2 LEU 20 2HB LEU 20 6.400 1.527 1.405
139 HB3 LEU 20 1HB LEU 20 7.140 1.555 3.005
140 HG LEU 20 HG LEU 20 8.958 3.027 2.050
141 HD11 LEU 20 1HD1 LEU 20 8.216 4.248 -0.089
142 HD12 LEU 20 2HD1 LEU 20 7.104 2.901 -0.337
143 HD13 LEU 20 3HD1 LEU 20 8.844 2.613 -0.290
144 HD21 LEU 20 3HD2 LEU 20 7.111 3.997 3.330
145 HD22 LEU 20 1HD2 LEU 20 6.092 4.018 1.890
146 HD23 LEU 20 2HD2 LEU 20 7.511 5.060 1.982
147 H THR 21 H THR 21 8.163 -0.850 3.723
148 HA THR 21 HA THR 21 10.512 0.197 5.052
149 HB THR 21 HB THR 21 8.808 -2.284 5.482
150 HG1 THR 21 1HG THR 21 7.551 -0.613 5.949
151 HG21 THR 21 3HG2 THR 21 10.735 -2.801 6.697
152 HG22 THR 21 1HG2 THR 21 9.765 -1.943 7.893
153 HG23 THR 21 2HG2 THR 21 11.079 -1.111 7.063
154 H LEU 22 H LEU 22 9.931 -2.576 2.915
155 HA LEU 22 HA LEU 22 12.408 -3.970 3.417
156 HB2 LEU 22 2HB LEU 22 10.361 -3.917 1.194
157 HB3 LEU 22 1HB LEU 22 11.787 -4.947 1.102
158 HG LEU 22 HG LEU 22 10.083 -5.009 3.576
159 HD11 LEU 22 1HD1 LEU 22 8.540 -6.524 2.645
160 HD12 LEU 22 2HD1 LEU 22 9.545 -6.820 1.225
161 HD13 LEU 22 3HD1 LEU 22 8.694 -5.286 1.400
162 HD21 LEU 22 3HD2 LEU 22 11.703 -7.105 2.088
163 HD22 LEU 22 1HD2 LEU 22 10.933 -7.314 3.661
164 HD23 LEU 22 2HD2 LEU 22 12.277 -6.187 3.480
165 H SER 23 H SER 23 11.412 -1.887 0.660
166 HA SER 23 HA SER 23 12.642 -0.523 -0.788
167 HB2 SER 23 2HB SER 23 13.441 0.068 1.704
168 HB3 SER 23 1HB SER 23 14.971 -0.531 1.075
169 HG SER 23 HG SER 23 15.129 1.277 0.006
170 HA PRO 24 HA PRO 24 15.163 -3.926 -2.467
171 HB2 PRO 24 2HB PRO 24 14.293 -3.673 -5.044
172 HB3 PRO 24 1HB PRO 24 13.387 -4.557 -3.803
173 HG2 PRO 24 2HG PRO 24 12.854 -1.922 -4.988
174 HG3 PRO 24 1HG PRO 24 11.740 -3.089 -4.268
175 HD2 PRO 24 2HD PRO 24 12.734 -0.743 -3.073
176 HD3 PRO 24 1HD PRO 24 11.810 -2.039 -2.281
177 H HIS 25 H HIS 25 16.603 -1.795 -1.821
178 HA HIS 25 HA HIS 25 18.384 -0.393 -2.395
179 HB2 HIS 25 2HB HIS 25 18.242 -2.440 -4.601
180 HB3 HIS 25 1HB HIS 25 19.434 -1.145 -4.685
181 HD1 HIS 25 1HD HIS 25 18.296 -3.842 -2.231
182 HD2 HIS 25 2HD HIS 25 21.707 -1.641 -3.187
183 HE1 HIS 25 1HE HIS 25 20.164 -4.753 -0.788
184 H TYR 26 H TYR 26 15.783 0.648 -2.935
185 HA TYR 26 HA TYR 26 16.269 2.286 -5.403
186 HB2 TYR 26 2HB TYR 26 13.994 0.712 -4.423
187 HB3 TYR 26 1HB TYR 26 13.544 2.368 -4.826
188 HD1 TYR 26 1HD TYR 26 14.285 3.293 -7.112
189 HD2 TYR 26 2HD TYR 26 14.327 -0.889 -6.129
190 HE1 TYR 26 1HE TYR 26 14.329 2.725 -9.525
191 HE2 TYR 26 2HE TYR 26 14.372 -1.457 -8.542
192 HH TYR 26 HH TYR 26 13.473 0.289 -10.859
193 H LYS 27 H LYS 27 17.334 3.968 -4.229
194 HA LYS 27 HA LYS 27 15.515 5.718 -2.662
195 HB2 LYS 27 2HB LYS 27 16.889 4.003 -1.243
196 HB3 LYS 27 1HB LYS 27 18.258 5.054 -1.600
197 HG2 LYS 27 2HG LYS 27 15.951 6.616 -0.776
198 HG3 LYS 27 1HG LYS 27 16.353 5.404 0.437
199 HD2 LYS 27 2HD LYS 27 17.727 7.175 1.077
200 HD3 LYS 27 1HD LYS 27 18.817 6.230 0.064
201 HE2 LYS 27 2HE LYS 27 18.688 7.741 -1.725
202 HE3 LYS 27 1HE LYS 27 17.136 8.406 -1.181
203 HZ1 LYS 27 3HZ LYS 27 18.995 9.895 -0.662
204 HZ2 LYS 27 1HZ LYS 27 19.714 8.683 0.280
205 HZ3 LYS 27 2HZ LYS 27 18.219 9.347 0.746
Start of MODEL 14
1 H1 MET 1 1HT MET 1 -21.011 -2.658 6.788
2 H2 MET 1 2HT MET 1 -19.362 -2.975 6.543
3 H3 MET 1 3HT MET 1 -20.454 -4.259 6.749
4 HA MET 1 HA MET 1 -19.947 -4.129 4.428
5 HB2 MET 1 2HB MET 1 -22.329 -4.450 5.382
6 HB3 MET 1 1HB MET 1 -22.630 -2.793 4.860
7 HG2 MET 1 2HG MET 1 -21.901 -3.447 2.551
8 HG3 MET 1 1HG MET 1 -21.788 -5.118 3.106
9 HE1 MET 1 2HE MET 1 -23.512 -5.365 0.873
10 HE2 MET 1 3HE MET 1 -23.501 -3.605 0.794
11 HE3 MET 1 1HE MET 1 -25.037 -4.488 0.803
12 H ASP 2 H ASP 2 -18.251 -2.437 4.307
13 HA ASP 2 HA ASP 2 -19.168 -0.084 2.778
14 HB2 ASP 2 2HB ASP 2 -17.822 1.412 4.355
15 HB3 ASP 2 1HB ASP 2 -19.330 0.782 5.005
16 H ARG 3 H ARG 3 -17.566 0.584 1.310
17 HA ARG 3 HA ARG 3 -14.957 -0.883 1.444
18 HB2 ARG 3 2HB ARG 3 -15.049 -0.907 -1.005
19 HB3 ARG 3 1HB ARG 3 -16.515 -1.611 -0.335
20 HG2 ARG 3 2HG ARG 3 -17.848 0.120 -1.058
21 HG3 ARG 3 1HG ARG 3 -16.565 1.321 -0.906
22 HD2 ARG 3 2HD ARG 3 -16.619 -0.830 -3.055
23 HD3 ARG 3 1HD ARG 3 -17.159 0.842 -3.302
24 HE ARG 3 HE ARG 3 -14.652 1.176 -2.205
25 HH11 ARG 3 1HH2 ARG 3 -14.121 -1.570 -3.443
26 HH12 ARG 3 2HH2 ARG 3 -13.460 -1.122 -4.979
27 HH21 ARG 3 1HH1 ARG 3 -14.578 2.178 -4.772
28 HH22 ARG 3 2HH1 ARG 3 -13.722 1.024 -5.743
29 H GLU 4 H GLU 4 -13.281 0.310 -0.025
30 HA GLU 4 HA GLU 4 -11.865 2.144 -0.344
31 HB2 GLU 4 2HB GLU 4 -14.611 3.040 -0.792
32 HB3 GLU 4 1HB GLU 4 -13.549 4.358 -0.302
33 HG2 GLU 4 2HG GLU 4 -11.963 3.790 -2.069
34 HG3 GLU 4 1HG GLU 4 -12.944 2.403 -2.538
35 H MET 5 H MET 5 -12.840 1.346 2.513
36 HA MET 5 HA MET 5 -11.652 3.714 3.892
37 HB2 MET 5 2HB MET 5 -14.326 2.380 4.294
38 HB3 MET 5 1HB MET 5 -13.503 3.085 5.685
39 HG2 MET 5 2HG MET 5 -13.350 5.247 4.504
40 HG3 MET 5 1HG MET 5 -14.181 4.547 3.115
41 HE1 MET 5 3HE MET 5 -15.205 6.861 3.716
42 HE2 MET 5 1HE MET 5 -15.141 7.151 5.463
43 HE3 MET 5 2HE MET 5 -16.692 7.014 4.643
44 H ALA 6 H ALA 6 -13.056 0.515 4.707
45 HA ALA 6 HA ALA 6 -11.085 -0.167 6.691
46 HB1 ALA 6 1HB ALA 6 -13.415 -1.085 6.436
47 HB2 ALA 6 2HB ALA 6 -12.189 -2.341 6.599
48 HB3 ALA 6 3HB ALA 6 -12.865 -1.968 5.013
49 H ALA 7 H ALA 7 -11.451 -1.045 3.237
50 HA ALA 7 HA ALA 7 -8.923 -2.559 3.194
51 HB1 ALA 7 1HB ALA 7 -10.820 -1.710 0.982
52 HB2 ALA 7 2HB ALA 7 -10.948 -3.210 1.903
53 HB3 ALA 7 3HB ALA 7 -9.557 -2.935 0.854
54 H SER 8 H SER 8 -9.997 0.721 2.470
55 HA SER 8 HA SER 8 -7.811 1.452 0.707
56 HB2 SER 8 2HB SER 8 -10.009 2.611 0.849
57 HB3 SER 8 1HB SER 8 -9.618 3.129 2.483
58 HG SER 8 HG SER 8 -9.074 4.760 1.030
59 H ALA 9 H ALA 9 -8.451 2.047 4.193
60 HA ALA 9 HA ALA 9 -5.727 3.099 4.609
61 HB1 ALA 9 1HB ALA 9 -7.808 4.000 5.693
62 HB2 ALA 9 2HB ALA 9 -6.559 3.544 6.849
63 HB3 ALA 9 3HB ALA 9 -7.946 2.485 6.586
64 H GLY 10 H GLY 10 -7.642 0.301 5.839
65 HA2 GLY 10 2HA GLY 10 -5.126 -0.949 6.802
66 HA3 GLY 10 1HA GLY 10 -6.755 -1.485 7.200
67 H GLY 11 H GLY 11 -5.090 -0.914 4.065
68 HA2 GLY 11 2HA GLY 11 -5.186 -3.769 3.418
69 HA3 GLY 11 1HA GLY 11 -6.309 -2.786 2.482
70 H ALA 12 H ALA 12 -5.430 -1.169 1.034
71 HA ALA 12 HA ALA 12 -3.077 -1.951 -0.394
72 HB1 ALA 12 1HB ALA 12 -3.581 -0.104 -1.769
73 HB2 ALA 12 2HB ALA 12 -4.249 0.827 -0.430
74 HB3 ALA 12 3HB ALA 12 -5.146 -0.544 -1.085
75 H VAL 13 H VAL 13 -3.559 0.777 1.899
76 HA VAL 13 HA VAL 13 -0.878 1.800 1.746
77 HB VAL 13 HB VAL 13 -3.059 1.921 3.855
78 HG11 VAL 13 1HG1 VAL 13 -1.113 2.371 5.123
79 HG12 VAL 13 2HG1 VAL 13 -1.682 3.968 4.640
80 HG13 VAL 13 3HG1 VAL 13 -0.331 3.219 3.788
81 HG21 VAL 13 3HG2 VAL 13 -3.573 3.046 1.739
82 HG22 VAL 13 1HG2 VAL 13 -2.029 3.896 1.790
83 HG23 VAL 13 2HG2 VAL 13 -3.271 4.251 2.990
84 H PHE 14 H PHE 14 -2.390 -0.632 3.891
85 HA PHE 14 HA PHE 14 -0.166 -1.080 5.634
86 HB2 PHE 14 2HB PHE 14 -2.441 -1.859 6.090
87 HB3 PHE 14 1HB PHE 14 -2.402 -2.896 4.665
88 HD1 PHE 14 1HD PHE 14 -0.696 -2.289 7.940
89 HD2 PHE 14 2HD PHE 14 -1.553 -5.095 4.801
90 HE1 PHE 14 1HE PHE 14 0.322 -4.107 9.285
91 HE2 PHE 14 2HE PHE 14 -0.537 -6.910 6.146
92 HZ PHE 14 HZ PHE 14 0.402 -6.417 8.388
93 H VAL 15 H VAL 15 -1.160 -2.863 2.668
94 HA VAL 15 HA VAL 15 1.099 -4.633 2.572
95 HB VAL 15 HB VAL 15 -0.785 -3.530 0.456
96 HG11 VAL 15 1HG1 VAL 15 1.301 -5.722 0.265
97 HG12 VAL 15 2HG1 VAL 15 1.156 -4.286 -0.748
98 HG13 VAL 15 3HG1 VAL 15 -0.045 -5.572 -0.865
99 HG21 VAL 15 3HG2 VAL 15 -1.623 -5.000 2.400
100 HG22 VAL 15 1HG2 VAL 15 -0.698 -6.306 1.658
101 HG23 VAL 15 2HG2 VAL 15 -2.016 -5.543 0.770
102 H GLY 16 H GLY 16 0.524 -1.428 1.085
103 HA2 GLY 16 2HA GLY 16 2.978 -1.235 -0.360
104 HA3 GLY 16 1HA GLY 16 1.994 0.135 0.158
105 H LEU 17 H LEU 17 2.114 -0.319 2.979
106 HA LEU 17 HA LEU 17 4.564 0.999 3.678
107 HB2 LEU 17 2HB LEU 17 2.113 0.261 4.897
108 HB3 LEU 17 1HB LEU 17 3.384 -0.434 5.898
109 HG LEU 17 HG LEU 17 3.586 2.416 4.949
110 HD11 LEU 17 1HD1 LEU 17 1.358 2.008 6.101
111 HD12 LEU 17 2HD1 LEU 17 2.404 3.190 6.887
112 HD13 LEU 17 3HD1 LEU 17 2.275 1.557 7.540
113 HD21 LEU 17 3HD2 LEU 17 4.567 1.004 7.452
114 HD22 LEU 17 1HD2 LEU 17 4.999 2.630 6.925
115 HD23 LEU 17 2HD2 LEU 17 5.538 1.230 5.998
116 H VAL 18 H VAL 18 3.568 -2.433 3.946
117 HA VAL 18 HA VAL 18 5.894 -3.419 5.297
118 HB VAL 18 HB VAL 18 3.902 -4.632 3.349
119 HG11 VAL 18 1HG1 VAL 18 5.544 -6.223 3.089
120 HG12 VAL 18 2HG1 VAL 18 4.859 -6.804 4.605
121 HG13 VAL 18 3HG1 VAL 18 6.326 -5.826 4.618
122 HG21 VAL 18 3HG2 VAL 18 2.898 -5.575 5.335
123 HG22 VAL 18 1HG2 VAL 18 3.150 -3.857 5.643
124 HG23 VAL 18 2HG2 VAL 18 4.251 -5.047 6.334
125 H LEU 19 H LEU 19 5.168 -2.979 1.831
126 HA LEU 19 HA LEU 19 7.686 -4.032 0.850
127 HB2 LEU 19 2HB LEU 19 5.318 -3.594 -0.258
128 HB3 LEU 19 1HB LEU 19 6.008 -2.011 -0.612
129 HG LEU 19 HG LEU 19 7.624 -4.457 -1.247
130 HD11 LEU 19 1HD1 LEU 19 5.418 -3.353 -3.014
131 HD12 LEU 19 2HD1 LEU 19 5.357 -4.898 -2.165
132 HD13 LEU 19 3HD1 LEU 19 6.549 -4.636 -3.439
133 HD21 LEU 19 3HD2 LEU 19 8.006 -2.781 -3.289
134 HD22 LEU 19 1HD2 LEU 19 8.847 -2.551 -1.756
135 HD23 LEU 19 2HD2 LEU 19 7.410 -1.598 -2.125
136 H LEU 20 H LEU 20 6.446 -0.753 1.564
137 HA LEU 20 HA LEU 20 8.666 0.775 0.635
138 HB2 LEU 20 2HB LEU 20 6.315 1.488 1.380
139 HB3 LEU 20 1HB LEU 20 6.935 1.421 3.029
140 HG LEU 20 HG LEU 20 8.806 2.976 2.251
141 HD11 LEU 20 1HD1 LEU 20 8.054 4.386 0.230
142 HD12 LEU 20 2HD1 LEU 20 6.985 3.039 -0.160
143 HD13 LEU 20 3HD1 LEU 20 8.732 2.794 -0.113
144 HD21 LEU 20 3HD2 LEU 20 5.932 3.950 2.141
145 HD22 LEU 20 1HD2 LEU 20 7.341 4.983 2.377
146 HD23 LEU 20 2HD2 LEU 20 6.917 3.781 3.595
147 H THR 21 H THR 21 8.163 -0.927 3.728
148 HA THR 21 HA THR 21 10.319 0.243 5.207
149 HB THR 21 HB THR 21 8.895 -2.434 5.289
150 HG1 THR 21 1HG THR 21 7.563 -0.885 5.978
151 HG21 THR 21 3HG2 THR 21 9.861 -2.623 7.612
152 HG22 THR 21 1HG2 THR 21 10.965 -1.312 7.197
153 HG23 THR 21 2HG2 THR 21 11.040 -2.841 6.319
154 H LEU 22 H LEU 22 10.239 -2.536 2.953
155 HA LEU 22 HA LEU 22 13.240 -2.628 3.070
156 HB2 LEU 22 2HB LEU 22 11.360 -4.583 3.677
157 HB3 LEU 22 1HB LEU 22 11.812 -4.981 2.025
158 HG LEU 22 HG LEU 22 13.253 -6.168 3.606
159 HD11 LEU 22 1HD1 LEU 22 14.176 -5.233 1.426
160 HD12 LEU 22 2HD1 LEU 22 15.371 -5.611 2.666
161 HD13 LEU 22 3HD1 LEU 22 14.889 -3.938 2.388
162 HD21 LEU 22 3HD2 LEU 22 13.042 -4.494 5.459
163 HD22 LEU 22 1HD2 LEU 22 14.136 -3.430 4.574
164 HD23 LEU 22 2HD2 LEU 22 14.707 -4.991 5.161
165 H SER 23 H SER 23 12.152 -0.736 1.374
166 HA SER 23 HA SER 23 12.075 -1.987 -1.345
167 HB2 SER 23 2HB SER 23 10.292 -0.357 -0.287
168 HB3 SER 23 1HB SER 23 11.450 0.886 -0.740
169 HG SER 23 HG SER 23 9.705 -0.420 -2.278
170 HA PRO 24 HA PRO 24 16.197 -0.193 -1.675
171 HB2 PRO 24 2HB PRO 24 16.897 -1.481 -3.982
172 HB3 PRO 24 1HB PRO 24 16.935 -2.265 -2.391
173 HG2 PRO 24 2HG PRO 24 14.991 -2.559 -4.588
174 HG3 PRO 24 1HG PRO 24 15.496 -3.723 -3.355
175 HD2 PRO 24 2HD PRO 24 13.124 -2.258 -3.354
176 HD3 PRO 24 1HD PRO 24 13.814 -3.137 -1.973
177 H HIS 25 H HIS 25 15.454 1.971 -2.151
178 HA HIS 25 HA HIS 25 14.853 2.553 -5.034
179 HB2 HIS 25 2HB HIS 25 13.304 3.011 -2.898
180 HB3 HIS 25 1HB HIS 25 14.271 4.484 -2.833
181 HD1 HIS 25 1HD HIS 25 14.483 5.668 -5.385
182 HD2 HIS 25 2HD HIS 25 11.145 3.302 -4.580
183 HE1 HIS 25 1HE HIS 25 12.719 6.312 -7.087
184 H TYR 26 H TYR 26 17.607 2.373 -3.639
185 HA TYR 26 HA TYR 26 18.516 5.201 -3.889
186 HB2 TYR 26 2HB TYR 26 18.999 3.433 -1.964
187 HB3 TYR 26 1HB TYR 26 20.262 2.897 -3.072
188 HD1 TYR 26 1HD TYR 26 22.066 4.451 -3.775
189 HD2 TYR 26 2HD TYR 26 19.129 5.566 -0.844
190 HE1 TYR 26 1HE TYR 26 23.494 6.352 -3.065
191 HE2 TYR 26 2HE TYR 26 20.555 7.465 -0.136
192 HH TYR 26 HH TYR 26 22.656 8.858 -1.675
193 H LYS 27 H LYS 27 18.183 5.072 -6.270
194 HA LYS 27 HA LYS 27 18.962 4.886 -8.459
195 HB2 LYS 27 2HB LYS 27 20.943 5.804 -7.006
196 HB3 LYS 27 1HB LYS 27 21.660 4.220 -7.293
197 HG2 LYS 27 2HG LYS 27 22.488 5.476 -9.089
198 HG3 LYS 27 1HG LYS 27 21.083 4.681 -9.800
199 HD2 LYS 27 2HD LYS 27 19.728 6.727 -9.229
200 HD3 LYS 27 1HD LYS 27 21.228 7.518 -8.743
201 HE2 LYS 27 2HE LYS 27 21.978 7.741 -10.910
202 HE3 LYS 27 1HE LYS 27 21.200 6.239 -11.445
203 HZ1 LYS 27 3HZ LYS 27 19.053 7.290 -11.294
204 HZ2 LYS 27 1HZ LYS 27 20.052 8.226 -12.293
205 HZ3 LYS 27 2HZ LYS 27 19.745 8.725 -10.698
Start of MODEL 15
1 H1 MET 1 1HT MET 1 2.587 -9.183 2.558
2 H2 MET 1 2HT MET 1 1.941 -9.093 0.987
3 H3 MET 1 3HT MET 1 2.516 -10.572 1.591
4 HA MET 1 HA MET 1 0.750 -10.648 3.235
5 HB2 MET 1 2HB MET 1 0.621 -7.844 2.348
6 HB3 MET 1 1HB MET 1 -0.963 -8.604 2.492
7 HG2 MET 1 2HG MET 1 -0.310 -9.386 4.790
8 HG3 MET 1 1HG MET 1 1.167 -8.433 4.641
9 HE1 MET 1 2HE MET 1 1.146 -5.925 5.768
10 HE2 MET 1 3HE MET 1 0.258 -4.878 4.667
11 HE3 MET 1 1HE MET 1 1.307 -6.156 4.031
12 H ASP 2 H ASP 2 -0.798 -12.076 2.542
13 HA ASP 2 HA ASP 2 -1.195 -12.557 -0.304
14 HB2 ASP 2 2HB ASP 2 -2.330 -13.689 2.264
15 HB3 ASP 2 1HB ASP 2 -2.823 -14.280 0.678
16 H ARG 3 H ARG 3 -3.511 -12.771 -1.177
17 HA ARG 3 HA ARG 3 -4.974 -10.255 -0.613
18 HB2 ARG 3 2HB ARG 3 -5.146 -12.390 -2.763
19 HB3 ARG 3 1HB ARG 3 -6.195 -10.973 -2.718
20 HG2 ARG 3 2HG ARG 3 -3.286 -10.431 -2.469
21 HG3 ARG 3 1HG ARG 3 -3.822 -11.031 -4.037
22 HD2 ARG 3 2HD ARG 3 -5.387 -8.817 -2.738
23 HD3 ARG 3 1HD ARG 3 -3.861 -8.432 -3.555
24 HE ARG 3 HE ARG 3 -5.988 -10.004 -4.961
25 HH11 ARG 3 1HH1 ARG 3 -6.336 -7.064 -5.189
26 HH12 ARG 3 2HH1 ARG 3 -5.424 -6.679 -6.607
27 HH21 ARG 3 1HH2 ARG 3 -3.664 -9.688 -6.600
28 HH22 ARG 3 2HH2 ARG 3 -3.896 -8.179 -7.415
29 H GLU 4 H GLU 4 -6.649 -13.201 -1.662
30 HA GLU 4 HA GLU 4 -8.562 -14.258 -0.809
31 HB2 GLU 4 2HB GLU 4 -6.425 -14.760 0.686
32 HB3 GLU 4 1HB GLU 4 -7.373 -13.918 1.911
33 HG2 GLU 4 2HG GLU 4 -9.302 -15.524 1.034
34 HG3 GLU 4 1HG GLU 4 -7.933 -16.520 0.541
35 H MET 5 H MET 5 -8.731 -11.277 -0.921
36 HA MET 5 HA MET 5 -10.151 -9.546 -0.233
37 HB2 MET 5 2HB MET 5 -11.547 -11.936 -0.337
38 HB3 MET 5 1HB MET 5 -11.972 -11.306 1.252
39 HG2 MET 5 2HG MET 5 -12.011 -9.245 -0.836
40 HG3 MET 5 1HG MET 5 -13.153 -10.553 -1.137
41 HE1 MET 5 3HE MET 5 -15.326 -7.701 0.375
42 HE2 MET 5 1HE MET 5 -14.883 -8.640 -1.062
43 HE3 MET 5 2HE MET 5 -13.807 -7.383 -0.459
44 H ALA 6 H ALA 6 -7.948 -10.420 1.629
45 HA ALA 6 HA ALA 6 -9.093 -9.869 4.321
46 HB1 ALA 6 1HB ALA 6 -6.431 -10.815 3.237
47 HB2 ALA 6 2HB ALA 6 -7.578 -11.709 4.232
48 HB3 ALA 6 3HB ALA 6 -6.645 -10.388 4.934
49 H ALA 7 H ALA 7 -6.317 -8.683 2.354
50 HA ALA 7 HA ALA 7 -6.488 -6.063 3.788
51 HB1 ALA 7 1HB ALA 7 -4.191 -5.790 2.846
52 HB2 ALA 7 2HB ALA 7 -4.350 -7.364 2.068
53 HB3 ALA 7 3HB ALA 7 -4.344 -7.246 3.828
54 H SER 8 H SER 8 -8.301 -5.280 2.572
55 HA SER 8 HA SER 8 -7.713 -4.588 -0.294
56 HB2 SER 8 2HB SER 8 -10.360 -5.169 1.075
57 HB3 SER 8 1HB SER 8 -10.155 -4.767 -0.625
58 HG SER 8 HG SER 8 -10.157 -7.132 0.336
59 H ALA 9 H ALA 9 -7.524 -2.418 -0.592
60 HA ALA 9 HA ALA 9 -7.756 -0.111 -0.370
61 HB1 ALA 9 1HB ALA 9 -10.198 -0.772 1.310
62 HB2 ALA 9 2HB ALA 9 -10.190 -0.798 -0.452
63 HB3 ALA 9 3HB ALA 9 -9.888 0.710 0.407
64 H GLY 10 H GLY 10 -8.992 -1.134 2.858
65 HA2 GLY 10 2HA GLY 10 -7.278 0.753 4.236
66 HA3 GLY 10 1HA GLY 10 -8.234 -0.525 5.003
67 H GLY 11 H GLY 11 -7.288 -2.808 3.913
68 HA2 GLY 11 2HA GLY 11 -4.779 -3.231 5.253
69 HA3 GLY 11 1HA GLY 11 -5.579 -4.390 4.190
70 H ALA 12 H ALA 12 -5.677 -2.619 1.868
71 HA ALA 12 HA ALA 12 -3.231 -3.237 0.566
72 HB1 ALA 12 1HB ALA 12 -4.083 -1.694 -1.159
73 HB2 ALA 12 2HB ALA 12 -5.229 -1.023 0.001
74 HB3 ALA 12 3HB ALA 12 -5.387 -2.699 -0.527
75 H VAL 13 H VAL 13 -4.226 -0.273 2.300
76 HA VAL 13 HA VAL 13 -2.021 1.407 1.604
77 HB VAL 13 HB VAL 13 -3.736 1.223 4.111
78 HG11 VAL 13 1HG1 VAL 13 -1.965 3.492 3.144
79 HG12 VAL 13 2HG1 VAL 13 -1.672 2.495 4.569
80 HG13 VAL 13 3HG1 VAL 13 -3.070 3.568 4.516
81 HG21 VAL 13 3HG2 VAL 13 -4.484 1.857 1.537
82 HG22 VAL 13 1HG2 VAL 13 -4.094 3.443 2.201
83 HG23 VAL 13 2HG2 VAL 13 -5.304 2.430 2.988
84 H PHE 14 H PHE 14 -2.406 -1.053 4.164
85 HA PHE 14 HA PHE 14 0.197 -0.552 5.372
86 HB2 PHE 14 2HB PHE 14 -2.044 -1.709 6.249
87 HB3 PHE 14 1HB PHE 14 -1.241 -3.163 5.649
88 HD1 PHE 14 1HD PHE 14 -1.055 -0.386 8.077
89 HD2 PHE 14 2HD PHE 14 0.823 -3.979 6.655
90 HE1 PHE 14 1HE PHE 14 0.391 -0.428 10.087
91 HE2 PHE 14 2HE PHE 14 2.267 -4.020 8.667
92 HZ PHE 14 HZ PHE 14 2.053 -2.243 10.385
93 H VAL 15 H VAL 15 -1.022 -2.721 2.819
94 HA VAL 15 HA VAL 15 1.216 -4.505 2.660
95 HB VAL 15 HB VAL 15 -0.750 -3.468 0.583
96 HG11 VAL 15 1HG1 VAL 15 0.818 -4.355 -0.853
97 HG12 VAL 15 2HG1 VAL 15 -0.018 -5.846 -0.421
98 HG13 VAL 15 3HG1 VAL 15 1.499 -5.423 0.373
99 HG21 VAL 15 3HG2 VAL 15 -1.423 -4.891 2.697
100 HG22 VAL 15 1HG2 VAL 15 -0.714 -6.224 1.787
101 HG23 VAL 15 2HG2 VAL 15 -2.072 -5.323 1.117
102 H GLY 16 H GLY 16 0.578 -1.369 1.046
103 HA2 GLY 16 2HA GLY 16 3.032 -1.278 -0.451
104 HA3 GLY 16 1HA GLY 16 2.017 0.116 -0.066
105 H LEU 17 H LEU 17 2.097 -0.144 2.789
106 HA LEU 17 HA LEU 17 4.454 1.323 3.477
107 HB2 LEU 17 2HB LEU 17 2.287 1.315 4.701
108 HB3 LEU 17 1HB LEU 17 2.575 -0.354 5.185
109 HG LEU 17 HG LEU 17 4.903 1.119 5.896
110 HD11 LEU 17 1HD1 LEU 17 2.454 2.381 7.129
111 HD12 LEU 17 2HD1 LEU 17 3.215 3.073 5.696
112 HD13 LEU 17 3HD1 LEU 17 4.128 2.931 7.197
113 HD21 LEU 17 3HD2 LEU 17 2.623 0.111 7.632
114 HD22 LEU 17 1HD2 LEU 17 4.285 0.397 8.149
115 HD23 LEU 17 2HD2 LEU 17 3.928 -0.898 7.007
116 H VAL 18 H VAL 18 3.634 -2.148 3.930
117 HA VAL 18 HA VAL 18 6.110 -2.912 5.194
118 HB VAL 18 HB VAL 18 4.016 -4.400 3.567
119 HG11 VAL 18 1HG1 VAL 18 6.579 -5.350 4.771
120 HG12 VAL 18 2HG1 VAL 18 5.712 -5.945 3.355
121 HG13 VAL 18 3HG1 VAL 18 5.160 -6.378 4.972
122 HG21 VAL 18 3HG2 VAL 18 3.282 -5.196 5.766
123 HG22 VAL 18 1HG2 VAL 18 3.326 -3.434 5.762
124 HG23 VAL 18 2HG2 VAL 18 4.617 -4.346 6.545
125 H LEU 19 H LEU 19 5.071 -2.737 1.789
126 HA LEU 19 HA LEU 19 7.354 -3.943 0.560
127 HB2 LEU 19 2HB LEU 19 5.066 -3.294 -0.399
128 HB3 LEU 19 1HB LEU 19 5.700 -1.653 -0.526
129 HG LEU 19 HG LEU 19 7.675 -2.703 -1.807
130 HD11 LEU 19 1HD1 LEU 19 7.316 -5.032 -1.267
131 HD12 LEU 19 2HD1 LEU 19 7.013 -4.833 -2.992
132 HD13 LEU 19 3HD1 LEU 19 5.660 -4.968 -1.870
133 HD21 LEU 19 3HD2 LEU 19 6.214 -2.880 -3.919
134 HD22 LEU 19 1HD2 LEU 19 6.123 -1.364 -3.022
135 HD23 LEU 19 2HD2 LEU 19 4.840 -2.565 -2.859
136 H LEU 20 H LEU 20 6.829 -0.746 1.930
137 HA LEU 20 HA LEU 20 9.192 0.493 0.718
138 HB2 LEU 20 2HB LEU 20 6.880 1.470 1.507
139 HB3 LEU 20 1HB LEU 20 7.650 1.525 3.090
140 HG LEU 20 HG LEU 20 9.618 2.620 1.567
141 HD11 LEU 20 1HD1 LEU 20 8.347 2.583 -0.498
142 HD12 LEU 20 2HD1 LEU 20 8.457 4.258 0.044
143 HD13 LEU 20 3HD1 LEU 20 6.966 3.350 0.289
144 HD21 LEU 20 3HD2 LEU 20 8.871 4.773 2.441
145 HD22 LEU 20 1HD2 LEU 20 8.560 3.531 3.653
146 HD23 LEU 20 2HD2 LEU 20 7.237 4.152 2.666
147 H THR 21 H THR 21 8.294 -0.879 3.905
148 HA THR 21 HA THR 21 10.785 -0.146 5.204
149 HB THR 21 HB THR 21 8.369 -0.775 6.100
150 HG1 THR 21 1HG THR 21 10.811 -1.451 7.390
151 HG21 THR 21 3HG2 THR 21 8.092 -2.991 6.879
152 HG22 THR 21 1HG2 THR 21 9.782 -3.401 6.578
153 HG23 THR 21 2HG2 THR 21 8.673 -3.182 5.225
154 H LEU 22 H LEU 22 9.994 -2.719 3.018
155 HA LEU 22 HA LEU 22 11.672 -4.825 3.912
156 HB2 LEU 22 2HB LEU 22 10.581 -3.863 1.289
157 HB3 LEU 22 1HB LEU 22 11.761 -5.173 1.286
158 HG LEU 22 HG LEU 22 9.374 -5.277 3.121
159 HD11 LEU 22 1HD1 LEU 22 8.862 -4.908 0.555
160 HD12 LEU 22 2HD1 LEU 22 7.979 -6.129 1.470
161 HD13 LEU 22 3HD1 LEU 22 9.324 -6.604 0.432
162 HD21 LEU 22 3HD2 LEU 22 11.177 -7.335 1.800
163 HD22 LEU 22 1HD2 LEU 22 9.771 -7.736 2.785
164 HD23 LEU 22 2HD2 LEU 22 11.146 -6.906 3.510
165 H SER 23 H SER 23 12.459 -2.279 1.503
166 HA SER 23 HA SER 23 14.480 -1.313 0.849
167 HB2 SER 23 2HB SER 23 15.532 -2.379 3.486
168 HB3 SER 23 1HB SER 23 16.136 -1.005 2.574
169 HG SER 23 HG SER 23 13.992 -0.070 2.925
170 HA PRO 24 HA PRO 24 16.028 -5.357 -0.670
171 HB2 PRO 24 2HB PRO 24 16.424 -4.529 -3.241
172 HB3 PRO 24 1HB PRO 24 14.854 -5.098 -2.633
173 HG2 PRO 24 2HG PRO 24 15.820 -2.313 -3.039
174 HG3 PRO 24 1HG PRO 24 14.225 -3.014 -3.360
175 HD2 PRO 24 2HD PRO 24 14.750 -1.502 -1.177
176 HD3 PRO 24 1HD PRO 24 13.539 -2.803 -1.187
177 H HIS 25 H HIS 25 17.337 -2.118 -0.992
178 HA HIS 25 HA HIS 25 20.114 -3.241 -0.885
179 HB2 HIS 25 2HB HIS 25 18.931 -1.022 -2.575
180 HB3 HIS 25 1HB HIS 25 20.669 -1.165 -2.308
181 HD1 HIS 25 1HD HIS 25 17.797 -2.799 -4.067
182 HD2 HIS 25 2HD HIS 25 21.882 -3.446 -3.553
183 HE1 HIS 25 1HE HIS 25 18.455 -4.577 -5.743
184 H TYR 26 H TYR 26 18.538 -0.008 -0.657
185 HA TYR 26 HA TYR 26 19.335 0.278 2.165
186 HB2 TYR 26 2HB TYR 26 21.276 0.811 0.413
187 HB3 TYR 26 1HB TYR 26 20.420 2.346 0.287
188 HD1 TYR 26 2HD TYR 26 20.133 3.799 2.284
189 HD2 TYR 26 1HD TYR 26 22.459 0.189 2.422
190 HE1 TYR 26 2HE TYR 26 21.164 4.544 4.413
191 HE2 TYR 26 1HE TYR 26 23.489 0.936 4.550
192 HH TYR 26 HH TYR 26 23.773 3.681 5.593
193 H LYS 27 H LYS 27 18.073 1.850 3.184
194 HA LYS 27 HA LYS 27 16.548 3.819 1.580
195 HB2 LYS 27 2HB LYS 27 15.330 1.570 1.669
196 HB3 LYS 27 1HB LYS 27 15.147 1.842 3.401
197 HG2 LYS 27 2HG LYS 27 13.161 2.744 2.579
198 HG3 LYS 27 1HG LYS 27 14.192 4.171 2.666
199 HD2 LYS 27 2HD LYS 27 14.028 4.488 0.445
200 HD3 LYS 27 1HD LYS 27 14.602 2.851 0.133
201 HE2 LYS 27 2HE LYS 27 12.465 2.743 -0.810
202 HE3 LYS 27 1HE LYS 27 12.108 2.207 0.843
203 HZ1 LYS 27 3HZ LYS 27 11.525 4.416 1.471
204 HZ2 LYS 27 1HZ LYS 27 10.651 4.040 0.069
205 HZ3 LYS 27 2HZ LYS 27 12.017 5.051 -0.031
Start of MODEL 16
1 H1 MET 1 1HT MET 1 -15.244 -6.148 16.984
2 H2 MET 1 2HT MET 1 -15.759 -4.635 17.562
3 H3 MET 1 3HT MET 1 -14.255 -4.787 16.786
4 HA MET 1 HA MET 1 -15.463 -5.470 14.717
5 HB2 MET 1 2HB MET 1 -17.703 -4.850 16.640
6 HB3 MET 1 1HB MET 1 -17.952 -4.657 14.906
7 HG2 MET 1 2HG MET 1 -16.682 -7.207 15.748
8 HG3 MET 1 1HG MET 1 -18.371 -6.997 16.209
9 HE1 MET 1 2HE MET 1 -18.138 -9.313 12.992
10 HE2 MET 1 3HE MET 1 -18.148 -9.276 14.752
11 HE3 MET 1 1HE MET 1 -16.647 -8.964 13.862
12 H ASP 2 H ASP 2 -14.375 -3.808 13.704
13 HA ASP 2 HA ASP 2 -15.165 -0.985 14.368
14 HB2 ASP 2 2HB ASP 2 -12.524 -2.163 13.443
15 HB3 ASP 2 1HB ASP 2 -12.824 -0.444 13.690
16 H ARG 3 H ARG 3 -15.339 0.468 12.553
17 HA ARG 3 HA ARG 3 -15.030 -0.569 9.808
18 HB2 ARG 3 2HB ARG 3 -17.417 -0.960 11.217
19 HB3 ARG 3 1HB ARG 3 -17.743 0.447 10.206
20 HG2 ARG 3 2HG ARG 3 -17.581 -0.738 8.255
21 HG3 ARG 3 1HG ARG 3 -16.322 -1.803 8.882
22 HD2 ARG 3 2HD ARG 3 -18.780 -2.249 10.349
23 HD3 ARG 3 1HD ARG 3 -19.069 -2.419 8.606
24 HE ARG 3 HE ARG 3 -17.052 -3.965 8.579
25 HH11 ARG 3 1HH1 ARG 3 -19.233 -5.503 9.777
26 HH12 ARG 3 2HH1 ARG 3 -18.581 -6.020 11.294
27 HH21 ARG 3 1HH2 ARG 3 -15.996 -3.668 11.265
28 HH22 ARG 3 2HH2 ARG 3 -16.725 -4.971 12.148
29 H GLU 4 H GLU 4 -16.238 1.281 8.336
30 HA GLU 4 HA GLU 4 -16.135 3.475 7.534
31 HB2 GLU 4 2HB GLU 4 -16.292 4.102 10.499
32 HB3 GLU 4 1HB GLU 4 -16.662 5.216 9.187
33 HG2 GLU 4 2HG GLU 4 -18.115 2.594 9.671
34 HG3 GLU 4 1HG GLU 4 -18.705 4.174 10.180
35 H MET 5 H MET 5 -13.574 2.043 8.448
36 HA MET 5 HA MET 5 -11.711 4.137 7.815
37 HB2 MET 5 2HB MET 5 -10.519 4.073 10.072
38 HB3 MET 5 1HB MET 5 -12.044 4.942 10.035
39 HG2 MET 5 2HG MET 5 -12.739 3.670 11.754
40 HG3 MET 5 1HG MET 5 -12.702 2.269 10.692
41 HE1 MET 5 3HE MET 5 -10.917 1.871 14.372
42 HE2 MET 5 1HE MET 5 -12.505 2.117 13.622
43 HE3 MET 5 2HE MET 5 -11.495 3.500 14.033
44 H ALA 6 H ALA 6 -12.040 0.987 9.503
45 HA ALA 6 HA ALA 6 -9.468 0.044 8.375
46 HB1 ALA 6 1HB ALA 6 -10.261 -0.300 10.770
47 HB2 ALA 6 2HB ALA 6 -9.774 -1.770 9.930
48 HB3 ALA 6 3HB ALA 6 -11.485 -1.395 10.127
49 H ALA 7 H ALA 7 -11.434 0.586 6.400
50 HA ALA 7 HA ALA 7 -12.268 -2.151 5.491
51 HB1 ALA 7 1HB ALA 7 -14.237 -0.883 5.861
52 HB2 ALA 7 2HB ALA 7 -13.943 -0.671 4.135
53 HB3 ALA 7 3HB ALA 7 -13.496 0.604 5.269
54 H SER 8 H SER 8 -11.366 1.108 4.295
55 HA SER 8 HA SER 8 -10.039 -0.158 1.926
56 HB2 SER 8 2HB SER 8 -11.943 1.541 1.679
57 HB3 SER 8 1HB SER 8 -10.844 2.737 2.355
58 HG SER 8 HG SER 8 -10.554 2.841 0.179
59 H ALA 9 H ALA 9 -9.658 2.480 4.331
60 HA ALA 9 HA ALA 9 -6.918 3.090 3.759
61 HB1 ALA 9 1HB ALA 9 -7.048 4.202 5.987
62 HB2 ALA 9 2HB ALA 9 -8.592 3.397 6.266
63 HB3 ALA 9 3HB ALA 9 -8.436 4.575 4.965
64 H GLY 10 H GLY 10 -8.386 0.700 5.991
65 HA2 GLY 10 2HA GLY 10 -5.710 -0.042 7.015
66 HA3 GLY 10 1HA GLY 10 -7.250 -0.680 7.588
67 H GLY 11 H GLY 11 -5.206 -0.724 4.615
68 HA2 GLY 11 2HA GLY 11 -5.202 -3.595 4.490
69 HA3 GLY 11 1HA GLY 11 -6.414 -2.959 3.382
70 H ALA 12 H ALA 12 -5.705 -1.634 1.610
71 HA ALA 12 HA ALA 12 -3.358 -2.474 0.251
72 HB1 ALA 12 1HB ALA 12 -3.952 -0.767 -1.336
73 HB2 ALA 12 2HB ALA 12 -4.812 0.159 -0.106
74 HB3 ALA 12 3HB ALA 12 -5.461 -1.385 -0.662
75 H VAL 13 H VAL 13 -3.890 0.437 2.256
76 HA VAL 13 HA VAL 13 -1.410 1.767 1.776
77 HB VAL 13 HB VAL 13 -3.065 1.647 4.328
78 HG11 VAL 13 1HG1 VAL 13 -0.946 2.738 4.726
79 HG12 VAL 13 2HG1 VAL 13 -2.182 3.990 4.606
80 HG13 VAL 13 3HG1 VAL 13 -1.099 3.688 3.247
81 HG21 VAL 13 3HG2 VAL 13 -4.674 2.418 2.868
82 HG22 VAL 13 1HG2 VAL 13 -3.486 2.986 1.694
83 HG23 VAL 13 2HG2 VAL 13 -3.833 3.945 3.132
84 H PHE 14 H PHE 14 -2.307 -0.710 4.182
85 HA PHE 14 HA PHE 14 0.212 -0.840 5.556
86 HB2 PHE 14 2HB PHE 14 -2.242 -1.795 6.012
87 HB3 PHE 14 1HB PHE 14 -1.559 -3.236 5.259
88 HD1 PHE 14 1HD PHE 14 0.621 -4.189 6.195
89 HD2 PHE 14 2HD PHE 14 -1.707 -1.218 8.249
90 HE1 PHE 14 1HE PHE 14 1.779 -4.747 8.312
91 HE2 PHE 14 2HE PHE 14 -0.548 -1.778 10.368
92 HZ PHE 14 HZ PHE 14 1.195 -3.542 10.399
93 H VAL 15 H VAL 15 -1.093 -2.661 2.754
94 HA VAL 15 HA VAL 15 1.052 -4.534 2.460
95 HB VAL 15 HB VAL 15 -0.861 -3.257 0.469
96 HG11 VAL 15 1HG1 VAL 15 1.058 -5.579 0.156
97 HG12 VAL 15 2HG1 VAL 15 0.940 -4.131 -0.846
98 HG13 VAL 15 3HG1 VAL 15 -0.338 -5.344 -0.897
99 HG21 VAL 15 3HG2 VAL 15 -2.054 -5.424 0.709
100 HG22 VAL 15 1HG2 VAL 15 -1.941 -4.572 2.249
101 HG23 VAL 15 2HG2 VAL 15 -0.869 -5.930 1.913
102 H GLY 16 H GLY 16 0.602 -1.238 1.133
103 HA2 GLY 16 2HA GLY 16 3.011 -1.178 -0.431
104 HA3 GLY 16 1HA GLY 16 2.120 0.240 0.128
105 H LEU 17 H LEU 17 2.269 -0.243 2.927
106 HA LEU 17 HA LEU 17 4.800 0.915 3.599
107 HB2 LEU 17 2HB LEU 17 2.434 -0.237 5.015
108 HB3 LEU 17 1HB LEU 17 3.912 -0.044 5.956
109 HG LEU 17 HG LEU 17 2.828 2.207 4.263
110 HD11 LEU 17 1HD1 LEU 17 1.624 3.057 6.166
111 HD12 LEU 17 2HD1 LEU 17 2.255 1.782 7.207
112 HD13 LEU 17 3HD1 LEU 17 1.104 1.389 5.931
113 HD21 LEU 17 3HD2 LEU 17 4.182 3.571 5.766
114 HD22 LEU 17 1HD2 LEU 17 5.187 2.272 5.126
115 HD23 LEU 17 2HD2 LEU 17 4.549 2.166 6.765
116 H VAL 18 H VAL 18 3.586 -2.453 3.974
117 HA VAL 18 HA VAL 18 5.838 -3.622 5.219
118 HB VAL 18 HB VAL 18 3.822 -4.635 3.191
119 HG11 VAL 18 1HG1 VAL 18 4.511 -6.919 3.757
120 HG12 VAL 18 2HG1 VAL 18 5.786 -6.298 4.805
121 HG13 VAL 18 3HG1 VAL 18 5.873 -6.042 3.061
122 HG21 VAL 18 3HG2 VAL 18 3.019 -3.963 5.454
123 HG22 VAL 18 1HG2 VAL 18 4.144 -5.117 6.171
124 HG23 VAL 18 2HG2 VAL 18 2.817 -5.690 5.160
125 H LEU 19 H LEU 19 5.280 -2.958 1.755
126 HA LEU 19 HA LEU 19 7.826 -4.113 0.887
127 HB2 LEU 19 2HB LEU 19 5.382 -3.091 -0.244
128 HB3 LEU 19 1HB LEU 19 6.745 -2.287 -1.019
129 HG LEU 19 HG LEU 19 7.779 -4.595 -1.322
130 HD11 LEU 19 1HD1 LEU 19 4.945 -5.500 -0.731
131 HD12 LEU 19 2HD1 LEU 19 6.292 -5.691 0.391
132 HD13 LEU 19 3HD1 LEU 19 6.316 -6.521 -1.165
133 HD21 LEU 19 3HD2 LEU 19 6.733 -3.415 -3.189
134 HD22 LEU 19 1HD2 LEU 19 5.134 -3.943 -2.664
135 HD23 LEU 19 2HD2 LEU 19 6.297 -5.122 -3.270
136 H LEU 20 H LEU 20 6.557 -0.774 1.297
137 HA LEU 20 HA LEU 20 8.902 0.644 0.505
138 HB2 LEU 20 2HB LEU 20 6.342 1.173 1.702
139 HB3 LEU 20 1HB LEU 20 7.572 2.035 2.620
140 HG LEU 20 HG LEU 20 8.326 2.432 -0.039
141 HD11 LEU 20 1HD1 LEU 20 6.171 3.423 -0.974
142 HD12 LEU 20 2HD1 LEU 20 5.318 2.523 0.281
143 HD13 LEU 20 3HD1 LEU 20 6.250 1.662 -0.944
144 HD21 LEU 20 3HD2 LEU 20 7.580 4.762 0.398
145 HD22 LEU 20 1HD2 LEU 20 8.442 4.085 1.779
146 HD23 LEU 20 2HD2 LEU 20 6.681 4.198 1.807
147 H THR 21 H THR 21 7.881 -0.504 3.746
148 HA THR 21 HA THR 21 10.195 0.481 5.166
149 HB THR 21 HB THR 21 8.418 -1.893 5.833
150 HG1 THR 21 1HG THR 21 7.994 0.895 6.117
151 HG21 THR 21 3HG2 THR 21 10.482 -1.457 7.231
152 HG22 THR 21 1HG2 THR 21 8.958 -1.415 8.118
153 HG23 THR 21 2HG2 THR 21 9.762 0.091 7.676
154 H LEU 22 H LEU 22 9.474 -2.542 3.439
155 HA LEU 22 HA LEU 22 11.641 -4.171 4.294
156 HB2 LEU 22 2HB LEU 22 9.546 -4.243 2.420
157 HB3 LEU 22 1HB LEU 22 11.007 -4.445 1.463
158 HG LEU 22 HG LEU 22 10.787 -6.019 3.993
159 HD11 LEU 22 1HD1 LEU 22 9.540 -7.797 2.793
160 HD12 LEU 22 2HD1 LEU 22 9.321 -6.705 1.424
161 HD13 LEU 22 3HD1 LEU 22 8.575 -6.334 2.978
162 HD21 LEU 22 3HD2 LEU 22 12.044 -7.637 2.655
163 HD22 LEU 22 1HD2 LEU 22 12.802 -6.052 2.511
164 HD23 LEU 22 2HD2 LEU 22 11.795 -6.670 1.201
165 H SER 23 H SER 23 11.484 -1.679 1.745
166 HA SER 23 HA SER 23 14.288 -2.133 0.938
167 HB2 SER 23 2HB SER 23 11.916 -1.117 -0.216
168 HB3 SER 23 1HB SER 23 13.017 0.251 -0.115
169 HG SER 23 HG SER 23 14.347 -0.723 -1.479
170 HA PRO 24 HA PRO 24 15.479 0.847 4.118
171 HB2 PRO 24 2HB PRO 24 18.175 0.581 3.777
172 HB3 PRO 24 1HB PRO 24 17.195 -0.584 4.690
173 HG2 PRO 24 2HG PRO 24 18.237 -0.763 1.914
174 HG3 PRO 24 1HG PRO 24 18.087 -2.022 3.150
175 HD2 PRO 24 2HD PRO 24 16.351 -1.749 1.074
176 HD3 PRO 24 1HD PRO 24 15.908 -2.455 2.644
177 H HIS 25 H HIS 25 15.792 3.035 3.894
178 HA HIS 25 HA HIS 25 16.496 4.106 1.195
179 HB2 HIS 25 2HB HIS 25 14.982 5.059 3.612
180 HB3 HIS 25 1HB HIS 25 15.625 6.247 2.480
181 HD1 HIS 25 1HD HIS 25 14.706 6.173 0.016
182 HD2 HIS 25 2HD HIS 25 12.792 3.560 2.641
183 HE1 HIS 25 1HE HIS 25 12.592 5.404 -1.149
184 H TYR 26 H TYR 26 17.189 4.871 4.636
185 HA TYR 26 HA TYR 26 19.989 5.588 3.855
186 HB2 TYR 26 2HB TYR 26 17.953 7.159 5.462
187 HB3 TYR 26 1HB TYR 26 19.680 7.492 5.563
188 HD1 TYR 26 1HD TYR 26 20.933 7.838 3.285
189 HD2 TYR 26 2HD TYR 26 16.678 8.179 3.773
190 HE1 TYR 26 1HE TYR 26 20.800 9.178 1.205
191 HE2 TYR 26 2HE TYR 26 16.548 9.520 1.693
192 HH TYR 26 HH TYR 26 18.948 11.053 0.342
193 H LYS 27 H LYS 27 20.958 3.830 4.817
194 HA LYS 27 HA LYS 27 21.905 2.538 6.503
195 HB2 LYS 27 2HB LYS 27 21.976 4.813 7.640
196 HB3 LYS 27 1HB LYS 27 20.474 4.368 8.451
197 HG2 LYS 27 2HG LYS 27 21.508 2.489 9.530
198 HG3 LYS 27 1HG LYS 27 22.970 2.658 8.560
199 HD2 LYS 27 2HD LYS 27 22.129 5.025 10.166
200 HD3 LYS 27 1HD LYS 27 22.795 3.649 11.047
201 HE2 LYS 27 2HE LYS 27 24.866 3.753 9.881
202 HE3 LYS 27 1HE LYS 27 24.197 4.813 8.625
203 HZ1 LYS 27 3HZ LYS 27 24.458 5.518 11.506
204 HZ2 LYS 27 1HZ LYS 27 23.817 6.518 10.295
205 HZ3 LYS 27 2HZ LYS 27 25.461 6.087 10.258
Start of MODEL 17
1 H1 MET 1 1HT MET 1 -6.862 3.528 20.472
2 H2 MET 1 2HT MET 1 -5.440 3.010 21.242
3 H3 MET 1 3HT MET 1 -6.953 2.433 21.762
4 HA MET 1 HA MET 1 -5.588 1.834 19.182
5 HB2 MET 1 2HB MET 1 -5.381 0.740 21.731
6 HB3 MET 1 1HB MET 1 -6.544 -0.319 20.935
7 HG2 MET 1 2HG MET 1 -4.992 -0.679 19.077
8 HG3 MET 1 1HG MET 1 -3.836 0.440 19.801
9 HE1 MET 1 2HE MET 1 -2.577 -1.480 19.027
10 HE2 MET 1 3HE MET 1 -3.080 -3.137 19.345
11 HE3 MET 1 1HE MET 1 -1.776 -2.403 20.294
12 H ASP 2 H ASP 2 -7.042 1.684 17.529
13 HA ASP 2 HA ASP 2 -9.612 0.301 17.918
14 HB2 ASP 2 2HB ASP 2 -10.725 2.427 16.796
15 HB3 ASP 2 1HB ASP 2 -10.493 2.352 18.536
16 H ARG 3 H ARG 3 -8.105 2.531 15.521
17 HA ARG 3 HA ARG 3 -7.710 2.316 13.236
18 HB2 ARG 3 2HB ARG 3 -6.352 0.434 14.365
19 HB3 ARG 3 1HB ARG 3 -7.599 -0.657 13.755
20 HG2 ARG 3 2HG ARG 3 -7.199 0.249 11.455
21 HG3 ARG 3 1HG ARG 3 -5.862 1.200 12.102
22 HD2 ARG 3 2HD ARG 3 -4.476 -0.611 12.234
23 HD3 ARG 3 1HD ARG 3 -5.775 -1.683 12.796
24 HE ARG 3 HE ARG 3 -5.877 -0.791 9.962
25 HH11 ARG 3 1HH2 ARG 3 -7.605 -2.999 10.807
26 HH12 ARG 3 2HH2 ARG 3 -6.708 -4.413 10.363
27 HH21 ARG 3 1HH1 ARG 3 -3.689 -2.699 10.041
28 HH22 ARG 3 2HH1 ARG 3 -4.464 -4.240 9.924
29 H GLU 4 H GLU 4 -10.175 2.901 13.190
30 HA GLU 4 HA GLU 4 -11.887 0.689 12.175
31 HB2 GLU 4 2HB GLU 4 -12.293 3.550 13.054
32 HB3 GLU 4 1HB GLU 4 -13.560 2.687 12.181
33 HG2 GLU 4 2HG GLU 4 -13.258 0.821 13.930
34 HG3 GLU 4 1HG GLU 4 -12.358 2.013 14.868
35 H MET 5 H MET 5 -11.132 4.044 11.114
36 HA MET 5 HA MET 5 -10.826 3.086 8.311
37 HB2 MET 5 2HB MET 5 -13.106 4.459 9.467
38 HB3 MET 5 1HB MET 5 -12.399 5.418 8.169
39 HG2 MET 5 2HG MET 5 -13.042 3.947 6.565
40 HG3 MET 5 1HG MET 5 -12.616 2.546 7.547
41 HE1 MET 5 3HE MET 5 -13.952 1.092 8.430
42 HE2 MET 5 1HE MET 5 -14.888 1.081 6.925
43 HE3 MET 5 2HE MET 5 -15.711 1.068 8.481
44 H ALA 6 H ALA 6 -8.607 3.696 9.325
45 HA ALA 6 HA ALA 6 -8.028 6.607 9.383
46 HB1 ALA 6 1HB ALA 6 -6.377 4.104 9.856
47 HB2 ALA 6 2HB ALA 6 -7.029 5.190 11.083
48 HB3 ALA 6 3HB ALA 6 -5.741 5.742 10.012
49 H ALA 7 H ALA 7 -7.074 3.706 7.515
50 HA ALA 7 HA ALA 7 -6.684 5.322 5.081
51 HB1 ALA 7 1HB ALA 7 -4.378 3.682 6.145
52 HB2 ALA 7 2HB ALA 7 -4.571 5.383 6.569
53 HB3 ALA 7 3HB ALA 7 -4.349 4.916 4.884
54 H SER 8 H SER 8 -7.860 4.063 3.674
55 HA SER 8 HA SER 8 -8.599 2.207 2.439
56 HB2 SER 8 2HB SER 8 -5.790 1.721 3.194
57 HB3 SER 8 1HB SER 8 -6.673 0.269 2.763
58 HG SER 8 HG SER 8 -6.533 2.671 1.232
59 H ALA 9 H ALA 9 -8.402 -0.575 2.954
60 HA ALA 9 HA ALA 9 -10.249 -0.822 5.247
61 HB1 ALA 9 1HB ALA 9 -10.524 -3.107 4.316
62 HB2 ALA 9 2HB ALA 9 -9.216 -2.786 3.177
63 HB3 ALA 9 3HB ALA 9 -10.719 -1.868 3.074
64 H GLY 10 H GLY 10 -7.497 -0.196 6.012
65 HA2 GLY 10 2HA GLY 10 -5.849 -0.911 7.507
66 HA3 GLY 10 1HA GLY 10 -7.031 -2.095 8.064
67 H GLY 11 H GLY 11 -5.652 -1.880 4.793
68 HA2 GLY 11 2HA GLY 11 -3.832 -4.126 5.235
69 HA3 GLY 11 1HA GLY 11 -5.256 -4.551 4.286
70 H ALA 12 H ALA 12 -5.677 -2.496 2.606
71 HA ALA 12 HA ALA 12 -3.739 -2.756 0.554
72 HB1 ALA 12 1HB ALA 12 -5.195 -1.427 -0.608
73 HB2 ALA 12 2HB ALA 12 -5.302 -0.233 0.685
74 HB3 ALA 12 3HB ALA 12 -6.237 -1.725 0.784
75 H VAL 13 H VAL 13 -4.175 0.013 2.808
76 HA VAL 13 HA VAL 13 -1.890 1.498 1.870
77 HB VAL 13 HB VAL 13 -3.656 1.502 4.319
78 HG11 VAL 13 1HG1 VAL 13 -1.116 3.070 3.886
79 HG12 VAL 13 2HG1 VAL 13 -1.682 2.269 5.352
80 HG13 VAL 13 3HG1 VAL 13 -2.450 3.760 4.809
81 HG21 VAL 13 3HG2 VAL 13 -4.562 3.444 3.354
82 HG22 VAL 13 1HG2 VAL 13 -4.216 2.439 1.948
83 HG23 VAL 13 2HG2 VAL 13 -3.122 3.751 2.385
84 H PHE 14 H PHE 14 -2.251 -1.054 4.315
85 HA PHE 14 HA PHE 14 0.370 -0.735 5.510
86 HB2 PHE 14 2HB PHE 14 -1.670 -1.847 6.513
87 HB3 PHE 14 1HB PHE 14 -1.406 -3.190 5.401
88 HD1 PHE 14 2HD PHE 14 0.649 -1.078 7.745
89 HD2 PHE 14 1HD PHE 14 -0.242 -5.011 6.263
90 HE1 PHE 14 2HE PHE 14 2.319 -2.043 9.300
91 HE2 PHE 14 1HE PHE 14 1.429 -5.975 7.821
92 HZ PHE 14 HZ PHE 14 2.711 -4.492 9.339
93 H VAL 15 H VAL 15 -0.940 -2.878 2.947
94 HA VAL 15 HA VAL 15 1.361 -4.484 2.490
95 HB VAL 15 HB VAL 15 -0.884 -3.468 0.723
96 HG11 VAL 15 1HG1 VAL 15 -0.227 -5.316 -0.854
97 HG12 VAL 15 2HG1 VAL 15 1.278 -5.487 0.050
98 HG13 VAL 15 3HG1 VAL 15 0.927 -3.983 -0.804
99 HG21 VAL 15 3HG2 VAL 15 -1.232 -5.100 2.691
100 HG22 VAL 15 1HG2 VAL 15 -0.353 -6.274 1.712
101 HG23 VAL 15 2HG2 VAL 15 -1.868 -5.592 1.122
102 H GLY 16 H GLY 16 0.467 -1.324 1.045
103 HA2 GLY 16 2HA GLY 16 2.772 -1.062 -0.638
104 HA3 GLY 16 1HA GLY 16 1.759 0.273 -0.087
105 H LEU 17 H LEU 17 2.188 -0.263 2.768
106 HA LEU 17 HA LEU 17 4.693 1.196 3.126
107 HB2 LEU 17 2HB LEU 17 2.406 1.253 4.433
108 HB3 LEU 17 1HB LEU 17 3.109 -0.091 5.335
109 HG LEU 17 HG LEU 17 5.207 1.495 5.503
110 HD11 LEU 17 1HD1 LEU 17 4.732 3.832 5.442
111 HD12 LEU 17 2HD1 LEU 17 2.996 3.551 5.303
112 HD13 LEU 17 3HD1 LEU 17 4.062 3.176 3.949
113 HD21 LEU 17 3HD2 LEU 17 3.984 0.765 7.459
114 HD22 LEU 17 1HD2 LEU 17 2.634 1.835 7.076
115 HD23 LEU 17 2HD2 LEU 17 4.182 2.513 7.580
116 H VAL 18 H VAL 18 3.584 -2.155 3.653
117 HA VAL 18 HA VAL 18 5.827 -3.138 5.128
118 HB VAL 18 HB VAL 18 3.795 -4.350 3.239
119 HG11 VAL 18 1HG1 VAL 18 5.997 -5.769 4.767
120 HG12 VAL 18 2HG1 VAL 18 5.688 -5.830 3.032
121 HG13 VAL 18 3HG1 VAL 18 4.557 -6.583 4.155
122 HG21 VAL 18 3HG2 VAL 18 2.737 -5.096 5.223
123 HG22 VAL 18 1HG2 VAL 18 3.269 -3.459 5.608
124 HG23 VAL 18 2HG2 VAL 18 4.188 -4.844 6.193
125 H LEU 19 H LEU 19 5.250 -3.020 1.589
126 HA LEU 19 HA LEU 19 7.726 -4.241 0.792
127 HB2 LEU 19 2HB LEU 19 5.408 -3.328 -0.414
128 HB3 LEU 19 1HB LEU 19 6.606 -2.175 -0.990
129 HG LEU 19 HG LEU 19 6.491 -4.013 -2.561
130 HD11 LEU 19 1HD1 LEU 19 8.757 -4.458 -2.769
131 HD12 LEU 19 2HD1 LEU 19 8.982 -4.691 -1.036
132 HD13 LEU 19 3HD1 LEU 19 8.790 -3.063 -1.690
133 HD21 LEU 19 3HD2 LEU 19 6.818 -6.321 -1.927
134 HD22 LEU 19 1HD2 LEU 19 5.556 -5.656 -0.892
135 HD23 LEU 19 2HD2 LEU 19 7.191 -5.866 -0.265
136 H LEU 20 H LEU 20 6.837 -0.865 1.508
137 HA LEU 20 HA LEU 20 9.395 0.259 0.655
138 HB2 LEU 20 2HB LEU 20 6.939 1.261 0.952
139 HB3 LEU 20 1HB LEU 20 7.539 1.621 2.571
140 HG LEU 20 HG LEU 20 9.603 2.626 1.369
141 HD11 LEU 20 1HD1 LEU 20 9.082 3.491 -0.909
142 HD12 LEU 20 2HD1 LEU 20 7.591 2.550 -0.902
143 HD13 LEU 20 3HD1 LEU 20 9.152 1.730 -0.860
144 HD21 LEU 20 3HD2 LEU 20 7.905 3.978 2.540
145 HD22 LEU 20 1HD2 LEU 20 6.874 3.937 1.108
146 HD23 LEU 20 2HD2 LEU 20 8.420 4.783 1.059
147 H THR 21 H THR 21 7.970 -0.801 3.744
148 HA THR 21 HA THR 21 9.976 0.247 5.506
149 HB THR 21 HB THR 21 8.037 -2.077 5.666
150 HG1 THR 21 1HG THR 21 6.935 -0.219 5.707
151 HG21 THR 21 3HG2 THR 21 10.069 -1.104 7.630
152 HG22 THR 21 1HG2 THR 21 9.461 -2.736 7.355
153 HG23 THR 21 2HG2 THR 21 8.481 -1.569 8.240
154 H LEU 22 H LEU 22 9.985 -2.587 3.404
155 HA LEU 22 HA LEU 22 11.996 -4.123 4.751
156 HB2 LEU 22 2HB LEU 22 10.548 -4.095 2.219
157 HB3 LEU 22 1HB LEU 22 12.222 -4.583 1.984
158 HG LEU 22 HG LEU 22 10.758 -6.520 2.425
159 HD11 LEU 22 1HD1 LEU 22 12.158 -7.593 4.030
160 HD12 LEU 22 2HD1 LEU 22 12.554 -6.064 4.813
161 HD13 LEU 22 3HD1 LEU 22 13.177 -6.417 3.201
162 HD21 LEU 22 3HD2 LEU 22 9.817 -6.795 4.729
163 HD22 LEU 22 1HD2 LEU 22 9.072 -5.469 3.839
164 HD23 LEU 22 2HD2 LEU 22 10.275 -5.130 5.082
165 H SER 23 H SER 23 12.598 -2.455 1.619
166 HA SER 23 HA SER 23 14.518 -1.352 0.819
167 HB2 SER 23 2HB SER 23 13.639 -0.248 3.267
168 HB3 SER 23 1HB SER 23 15.390 -0.312 3.384
169 HG SER 23 HG SER 23 13.735 1.130 1.668
170 HA PRO 24 HA PRO 24 18.217 -3.624 1.735
171 HB2 PRO 24 2HB PRO 24 20.263 -1.850 2.096
172 HB3 PRO 24 1HB PRO 24 19.503 -2.144 0.520
173 HG2 PRO 24 2HG PRO 24 19.146 0.120 2.391
174 HG3 PRO 24 1HG PRO 24 19.112 0.095 0.622
175 HD2 PRO 24 2HD PRO 24 16.888 0.203 2.244
176 HD3 PRO 24 1HD PRO 24 16.891 -0.340 0.554
177 H HIS 25 H HIS 25 16.969 -4.036 3.931
178 HA HIS 25 HA HIS 25 18.577 -3.086 6.279
179 HB2 HIS 25 2HB HIS 25 15.731 -3.914 5.799
180 HB3 HIS 25 1HB HIS 25 16.410 -4.117 7.413
181 HD1 HIS 25 1HD HIS 25 16.227 -2.098 8.874
182 HD2 HIS 25 2HD HIS 25 16.216 -1.073 4.833
183 HE1 HIS 25 1HE HIS 25 15.897 0.409 8.770
184 H TYR 26 H TYR 26 16.920 -6.031 5.038
185 HA TYR 26 HA TYR 26 18.456 -7.768 6.848
186 HB2 TYR 26 2HB TYR 26 15.988 -7.936 5.946
187 HB3 TYR 26 1HB TYR 26 16.746 -8.694 4.546
188 HD1 TYR 26 2HD TYR 26 18.113 -10.773 4.836
189 HD2 TYR 26 1HD TYR 26 15.824 -9.071 8.050
190 HE1 TYR 26 2HE TYR 26 18.281 -12.908 6.088
191 HE2 TYR 26 1HE TYR 26 15.993 -11.205 9.300
192 HH TYR 26 HH TYR 26 16.458 -13.900 8.280
193 H LYS 27 H LYS 27 20.557 -6.970 5.908
194 HA LYS 27 HA LYS 27 22.496 -7.309 4.670
195 HB2 LYS 27 2HB LYS 27 20.927 -9.847 4.196
196 HB3 LYS 27 1HB LYS 27 22.533 -9.620 3.508
197 HG2 LYS 27 2HG LYS 27 22.905 -8.822 6.122
198 HG3 LYS 27 1HG LYS 27 21.751 -10.142 6.294
199 HD2 LYS 27 2HD LYS 27 23.814 -10.831 4.373
200 HD3 LYS 27 1HD LYS 27 24.527 -10.372 5.918
201 HE2 LYS 27 2HE LYS 27 23.710 -12.217 6.990
202 HE3 LYS 27 1HE LYS 27 22.159 -12.147 6.132
203 HZ1 LYS 27 3HZ LYS 27 24.736 -13.015 4.919
204 HZ2 LYS 27 1HZ LYS 27 23.228 -12.976 4.144
205 HZ3 LYS 27 2HZ LYS 27 23.494 -14.056 5.427
Start of MODEL 18
1 H1 MET 1 1HT MET 1 -19.565 -3.248 -6.986
2 H2 MET 1 2HT MET 1 -18.318 -3.681 -5.916
3 H3 MET 1 3HT MET 1 -18.740 -4.715 -7.193
4 HA MET 1 HA MET 1 -16.681 -3.522 -7.703
5 HB2 MET 1 2HB MET 1 -19.232 -3.382 -9.190
6 HB3 MET 1 1HB MET 1 -17.999 -2.254 -9.753
7 HG2 MET 1 2HG MET 1 -16.444 -4.007 -10.186
8 HG3 MET 1 1HG MET 1 -17.399 -5.179 -9.277
9 HE1 MET 1 2HE MET 1 -16.761 -3.085 -12.123
10 HE2 MET 1 3HE MET 1 -18.414 -2.597 -12.475
11 HE3 MET 1 1HE MET 1 -17.599 -3.788 -13.502
12 H ASP 2 H ASP 2 -15.905 -1.334 -8.537
13 HA ASP 2 HA ASP 2 -15.486 0.943 -8.281
14 HB2 ASP 2 2HB ASP 2 -18.027 0.858 -8.855
15 HB3 ASP 2 1HB ASP 2 -18.259 1.267 -7.155
16 H ARG 3 H ARG 3 -17.638 0.229 -5.480
17 HA ARG 3 HA ARG 3 -15.683 1.547 -3.678
18 HB2 ARG 3 2HB ARG 3 -18.556 0.995 -3.778
19 HB3 ARG 3 1HB ARG 3 -17.862 0.662 -2.193
20 HG2 ARG 3 2HG ARG 3 -18.423 2.944 -2.072
21 HG3 ARG 3 1HG ARG 3 -16.699 2.964 -2.437
22 HD2 ARG 3 2HD ARG 3 -17.849 2.875 -4.965
23 HD3 ARG 3 1HD ARG 3 -18.947 3.933 -4.059
24 HE ARG 3 HE ARG 3 -16.039 4.446 -3.763
25 HH11 ARG 3 1HH1 ARG 3 -17.257 5.101 -6.513
26 HH12 ARG 3 2HH1 ARG 3 -17.619 6.787 -6.310
27 HH21 ARG 3 1HH2 ARG 3 -17.305 6.690 -2.835
28 HH22 ARG 3 2HH2 ARG 3 -17.647 7.695 -4.201
29 H GLU 4 H GLU 4 -16.246 -1.637 -4.765
30 HA GLU 4 HA GLU 4 -15.987 -3.245 -2.436
31 HB2 GLU 4 2HB GLU 4 -16.207 -3.619 -5.154
32 HB3 GLU 4 1HB GLU 4 -14.549 -4.139 -4.863
33 HG2 GLU 4 2HG GLU 4 -15.559 -6.126 -4.367
34 HG3 GLU 4 1HG GLU 4 -15.785 -5.374 -2.790
35 H MET 5 H MET 5 -13.459 -1.846 -4.555
36 HA MET 5 HA MET 5 -11.232 -2.880 -2.986
37 HB2 MET 5 2HB MET 5 -11.617 -0.902 -5.230
38 HB3 MET 5 1HB MET 5 -10.049 -1.047 -4.438
39 HG2 MET 5 2HG MET 5 -9.659 -2.734 -5.896
40 HG3 MET 5 1HG MET 5 -10.730 -3.687 -4.871
41 HE1 MET 5 3HE MET 5 -10.151 -4.048 -8.155
42 HE2 MET 5 1HE MET 5 -11.753 -4.754 -8.430
43 HE3 MET 5 2HE MET 5 -10.858 -5.131 -6.961
44 H ALA 6 H ALA 6 -13.119 0.125 -3.018
45 HA ALA 6 HA ALA 6 -11.427 1.788 -1.440
46 HB1 ALA 6 1HB ALA 6 -14.456 1.696 -1.503
47 HB2 ALA 6 2HB ALA 6 -13.463 2.440 -2.758
48 HB3 ALA 6 3HB ALA 6 -13.448 3.090 -1.118
49 H ALA 7 H ALA 7 -13.629 -0.825 -0.491
50 HA ALA 7 HA ALA 7 -13.814 -0.180 2.318
51 HB1 ALA 7 1HB ALA 7 -15.312 -1.697 0.975
52 HB2 ALA 7 2HB ALA 7 -14.735 -2.422 2.475
53 HB3 ALA 7 3HB ALA 7 -14.000 -2.876 0.938
54 H SER 8 H SER 8 -11.531 -2.153 0.407
55 HA SER 8 HA SER 8 -10.013 -2.881 2.858
56 HB2 SER 8 2HB SER 8 -9.895 -3.653 -0.064
57 HB3 SER 8 1HB SER 8 -8.700 -4.198 1.105
58 HG SER 8 HG SER 8 -10.152 -5.494 1.963
59 H ALA 9 H ALA 9 -10.072 -0.026 1.766
60 HA ALA 9 HA ALA 9 -7.580 0.594 0.476
61 HB1 ALA 9 1HB ALA 9 -9.522 2.088 0.513
62 HB2 ALA 9 2HB ALA 9 -8.142 2.897 1.254
63 HB3 ALA 9 3HB ALA 9 -9.414 2.218 2.269
64 H GLY 10 H GLY 10 -8.522 0.418 3.927
65 HA2 GLY 10 2HA GLY 10 -6.099 1.452 5.034
66 HA3 GLY 10 1HA GLY 10 -7.206 0.363 5.875
67 H GLY 11 H GLY 11 -7.112 -1.913 4.349
68 HA2 GLY 11 2HA GLY 11 -4.665 -3.163 5.158
69 HA3 GLY 11 1HA GLY 11 -5.861 -3.874 4.071
70 H ALA 12 H ALA 12 -5.793 -1.911 2.005
71 HA ALA 12 HA ALA 12 -3.628 -2.802 0.374
72 HB1 ALA 12 1HB ALA 12 -5.692 -1.885 -0.526
73 HB2 ALA 12 2HB ALA 12 -4.357 -0.865 -1.061
74 HB3 ALA 12 3HB ALA 12 -5.393 -0.336 0.264
75 H VAL 13 H VAL 13 -4.022 0.248 2.226
76 HA VAL 13 HA VAL 13 -1.533 1.467 1.492
77 HB VAL 13 HB VAL 13 -3.298 1.670 3.960
78 HG11 VAL 13 1HG1 VAL 13 -1.304 2.601 4.751
79 HG12 VAL 13 2HG1 VAL 13 -2.101 4.008 4.048
80 HG13 VAL 13 3HG1 VAL 13 -0.823 3.181 3.156
81 HG21 VAL 13 3HG2 VAL 13 -3.805 2.430 1.362
82 HG22 VAL 13 1HG2 VAL 13 -3.115 3.905 2.040
83 HG23 VAL 13 2HG2 VAL 13 -4.536 3.172 2.782
84 H PHE 14 H PHE 14 -2.408 -0.752 4.146
85 HA PHE 14 HA PHE 14 0.086 -0.773 5.541
86 HB2 PHE 14 2HB PHE 14 -2.286 -1.735 6.087
87 HB3 PHE 14 1HB PHE 14 -1.716 -3.173 5.239
88 HD1 PHE 14 1HD PHE 14 0.172 -4.491 6.109
89 HD2 PHE 14 2HD PHE 14 -1.326 -1.061 8.219
90 HE1 PHE 14 1HE PHE 14 1.410 -5.198 8.138
91 HE2 PHE 14 2HE PHE 14 -0.087 -1.769 10.247
92 HZ PHE 14 HZ PHE 14 1.281 -3.838 10.207
93 H VAL 15 H VAL 15 -1.089 -2.731 2.780
94 HA VAL 15 HA VAL 15 1.136 -4.538 2.605
95 HB VAL 15 HB VAL 15 -0.719 -3.428 0.459
96 HG11 VAL 15 1HG1 VAL 15 1.313 -4.545 -0.454
97 HG12 VAL 15 2HG1 VAL 15 -0.164 -5.440 -0.812
98 HG13 VAL 15 3HG1 VAL 15 0.910 -5.990 0.475
99 HG21 VAL 15 3HG2 VAL 15 -1.199 -6.156 1.375
100 HG22 VAL 15 1HG2 VAL 15 -2.321 -4.801 1.273
101 HG23 VAL 15 2HG2 VAL 15 -1.314 -5.004 2.705
102 H GLY 16 H GLY 16 0.520 -1.358 1.082
103 HA2 GLY 16 2HA GLY 16 2.957 -1.232 -0.428
104 HA3 GLY 16 1HA GLY 16 1.969 0.157 0.028
105 H LEU 17 H LEU 17 2.096 -0.259 2.878
106 HA LEU 17 HA LEU 17 4.502 1.152 3.556
107 HB2 LEU 17 2HB LEU 17 2.073 0.609 4.714
108 HB3 LEU 17 1HB LEU 17 3.141 -0.418 5.667
109 HG LEU 17 HG LEU 17 3.794 2.481 5.126
110 HD11 LEU 17 1HD1 LEU 17 2.358 3.201 6.718
111 HD12 LEU 17 2HD1 LEU 17 2.751 1.860 7.794
112 HD13 LEU 17 3HD1 LEU 17 1.544 1.649 6.526
113 HD21 LEU 17 3HD2 LEU 17 4.678 0.391 7.136
114 HD22 LEU 17 1HD2 LEU 17 5.045 2.105 7.322
115 HD23 LEU 17 2HD2 LEU 17 5.668 1.217 5.933
116 H VAL 18 H VAL 18 3.575 -2.292 3.941
117 HA VAL 18 HA VAL 18 5.920 -3.228 5.276
118 HB VAL 18 HB VAL 18 3.936 -4.494 3.355
119 HG11 VAL 18 1HG1 VAL 18 4.825 -6.682 4.408
120 HG12 VAL 18 2HG1 VAL 18 6.255 -5.742 4.835
121 HG13 VAL 18 3HG1 VAL 18 5.801 -5.936 3.142
122 HG21 VAL 18 3HG2 VAL 18 2.988 -5.455 5.379
123 HG22 VAL 18 1HG2 VAL 18 3.145 -3.714 5.610
124 HG23 VAL 18 2HG2 VAL 18 4.310 -4.810 6.351
125 H LEU 19 H LEU 19 5.168 -2.919 1.803
126 HA LEU 19 HA LEU 19 7.633 -3.982 0.768
127 HB2 LEU 19 2HB LEU 19 5.423 -3.616 -0.413
128 HB3 LEU 19 1HB LEU 19 5.784 -1.891 -0.425
129 HG LEU 19 HG LEU 19 8.037 -2.626 -1.537
130 HD11 LEU 19 1HD1 LEU 19 7.663 -4.676 -2.977
131 HD12 LEU 19 2HD1 LEU 19 6.243 -5.027 -1.992
132 HD13 LEU 19 3HD1 LEU 19 7.845 -5.017 -1.256
133 HD21 LEU 19 3HD2 LEU 19 5.367 -2.762 -2.976
134 HD22 LEU 19 1HD2 LEU 19 6.927 -2.555 -3.771
135 HD23 LEU 19 2HD2 LEU 19 6.322 -1.307 -2.683
136 H LEU 20 H LEU 20 6.596 -0.691 1.667
137 HA LEU 20 HA LEU 20 8.855 0.788 0.741
138 HB2 LEU 20 2HB LEU 20 6.484 1.406 1.778
139 HB3 LEU 20 1HB LEU 20 7.400 1.475 3.277
140 HG LEU 20 HG LEU 20 7.207 3.684 2.152
141 HD11 LEU 20 1HD1 LEU 20 10.099 3.009 1.915
142 HD12 LEU 20 2HD1 LEU 20 9.322 2.731 3.473
143 HD13 LEU 20 3HD1 LEU 20 9.316 4.343 2.761
144 HD21 LEU 20 3HD2 LEU 20 8.255 4.127 0.049
145 HD22 LEU 20 1HD2 LEU 20 7.289 2.671 -0.190
146 HD23 LEU 20 2HD2 LEU 20 9.036 2.546 0.024
147 H THR 21 H THR 21 8.251 -0.846 3.869
148 HA THR 21 HA THR 21 10.715 -0.007 5.129
149 HB THR 21 HB THR 21 8.930 -2.406 5.680
150 HG1 THR 21 1HG THR 21 7.551 -0.984 6.354
151 HG21 THR 21 3HG2 THR 21 10.893 -0.865 7.399
152 HG22 THR 21 1HG2 THR 21 11.012 -2.556 6.913
153 HG23 THR 21 2HG2 THR 21 9.745 -2.046 8.027
154 H LEU 22 H LEU 22 9.880 -2.713 2.995
155 HA LEU 22 HA LEU 22 12.264 -4.295 3.517
156 HB2 LEU 22 2HB LEU 22 9.826 -4.585 2.190
157 HB3 LEU 22 1HB LEU 22 11.012 -4.612 0.888
158 HG LEU 22 HG LEU 22 11.212 -6.316 3.388
159 HD11 LEU 22 1HD1 LEU 22 9.218 -6.800 1.868
160 HD12 LEU 22 2HD1 LEU 22 10.332 -8.143 2.125
161 HD13 LEU 22 3HD1 LEU 22 10.390 -7.225 0.621
162 HD21 LEU 22 3HD2 LEU 22 13.375 -6.133 2.458
163 HD22 LEU 22 1HD2 LEU 22 12.762 -6.099 0.806
164 HD23 LEU 22 2HD2 LEU 22 12.749 -7.607 1.719
165 H SER 23 H SER 23 11.471 -1.640 1.316
166 HA SER 23 HA SER 23 12.786 -0.360 -0.126
167 HB2 SER 23 2HB SER 23 14.274 -0.847 2.092
168 HB3 SER 23 1HB SER 23 15.307 -1.579 0.874
169 HG SER 23 HG SER 23 14.532 1.080 1.248
170 HA PRO 24 HA PRO 24 13.423 -4.080 -2.827
171 HB2 PRO 24 2HB PRO 24 11.491 -3.486 -4.669
172 HB3 PRO 24 1HB PRO 24 11.166 -4.407 -3.188
173 HG2 PRO 24 2HG PRO 24 10.550 -1.591 -3.827
174 HG3 PRO 24 1HG PRO 24 9.683 -2.738 -2.797
175 HD2 PRO 24 2HD PRO 24 11.338 -0.703 -1.900
176 HD3 PRO 24 1HD PRO 24 10.820 -2.113 -0.953
177 H HIS 25 H HIS 25 15.359 -2.465 -2.963
178 HA HIS 25 HA HIS 25 15.336 -1.021 -5.596
179 HB2 HIS 25 2HB HIS 25 16.921 -0.512 -3.060
180 HB3 HIS 25 1HB HIS 25 17.047 0.431 -4.544
181 HD1 HIS 25 1HD HIS 25 15.259 0.346 -1.405
182 HD2 HIS 25 2HD HIS 25 14.340 1.589 -5.279
183 HE1 HIS 25 1HE HIS 25 13.234 1.851 -1.214
184 H TYR 26 H TYR 26 17.218 -3.167 -3.453
185 HA TYR 26 HA TYR 26 18.995 -4.623 -3.874
186 HB2 TYR 26 2HB TYR 26 17.973 -4.222 -6.709
187 HB3 TYR 26 1HB TYR 26 19.120 -5.466 -6.234
188 HD1 TYR 26 2HD TYR 26 18.436 -7.325 -4.751
189 HD2 TYR 26 1HD TYR 26 15.620 -4.375 -6.107
190 HE1 TYR 26 2HE TYR 26 16.561 -8.795 -4.062
191 HE2 TYR 26 1HE TYR 26 13.749 -5.846 -5.418
192 HH TYR 26 HH TYR 26 13.551 -7.830 -3.562
193 H LYS 27 H LYS 27 20.953 -4.724 -5.800
194 HA LYS 27 HA LYS 27 22.915 -3.749 -6.581
195 HB2 LYS 27 2HB LYS 27 21.255 -2.282 -7.754
196 HB3 LYS 27 1HB LYS 27 21.350 -1.154 -6.403
197 HG2 LYS 27 2HG LYS 27 23.303 -0.294 -7.127
198 HG3 LYS 27 1HG LYS 27 24.001 -1.893 -7.381
199 HD2 LYS 27 2HD LYS 27 21.917 -0.990 -9.318
200 HD3 LYS 27 1HD LYS 27 23.500 -0.221 -9.418
201 HE2 LYS 27 2HE LYS 27 24.348 -2.041 -10.456
202 HE3 LYS 27 1HE LYS 27 23.858 -3.072 -9.099
203 HZ1 LYS 27 3HZ LYS 27 22.075 -2.166 -11.305
204 HZ2 LYS 27 1HZ LYS 27 21.611 -3.135 -9.991
205 HZ3 LYS 27 2HZ LYS 27 22.721 -3.728 -11.133
Start of MODEL 19
1 H1 MET 1 1HT MET 1 -8.236 -21.790 0.125
2 H2 MET 1 2HT MET 1 -8.147 -21.459 1.788
3 H3 MET 1 3HT MET 1 -6.726 -21.721 0.896
4 HA MET 1 HA MET 1 -7.174 -19.342 1.438
5 HB2 MET 1 2HB MET 1 -6.574 -18.623 -0.858
6 HB3 MET 1 1HB MET 1 -5.688 -20.062 -0.376
7 HG2 MET 1 2HG MET 1 -7.395 -21.440 -1.628
8 HG3 MET 1 1HG MET 1 -8.100 -19.933 -2.212
9 HE1 MET 1 2HE MET 1 -3.993 -21.707 -2.976
10 HE2 MET 1 3HE MET 1 -5.430 -22.671 -3.304
11 HE3 MET 1 1HE MET 1 -5.143 -22.019 -1.680
12 H ASP 2 H ASP 2 -8.848 -17.987 1.816
13 HA ASP 2 HA ASP 2 -11.224 -18.048 -0.016
14 HB2 ASP 2 2HB ASP 2 -11.219 -17.883 3.017
15 HB3 ASP 2 1HB ASP 2 -12.647 -17.866 1.987
16 H ARG 3 H ARG 3 -9.795 -16.174 2.718
17 HA ARG 3 HA ARG 3 -10.989 -13.670 1.855
18 HB2 ARG 3 2HB ARG 3 -8.827 -14.470 3.816
19 HB3 ARG 3 1HB ARG 3 -9.278 -12.786 3.567
20 HG2 ARG 3 2HG ARG 3 -11.707 -13.578 3.994
21 HG3 ARG 3 1HG ARG 3 -10.967 -15.032 4.667
22 HD2 ARG 3 2HD ARG 3 -9.829 -12.447 5.618
23 HD3 ARG 3 1HD ARG 3 -11.469 -12.832 6.172
24 HE ARG 3 HE ARG 3 -10.611 -14.918 7.128
25 HH11 ARG 3 1HH1 ARG 3 -8.259 -15.478 5.448
26 HH12 ARG 3 2HH1 ARG 3 -6.930 -15.000 6.449
27 HH21 ARG 3 1HH2 ARG 3 -8.910 -13.111 8.609
28 HH22 ARG 3 2HH2 ARG 3 -7.301 -13.648 8.258
29 H GLU 4 H GLU 4 -10.353 -12.932 -0.149
30 HA GLU 4 HA GLU 4 -7.499 -13.107 -0.975
31 HB2 GLU 4 2HB GLU 4 -10.037 -12.259 -2.415
32 HB3 GLU 4 1HB GLU 4 -8.451 -12.407 -3.171
33 HG2 GLU 4 2HG GLU 4 -8.385 -14.805 -2.528
34 HG3 GLU 4 1HG GLU 4 -9.996 -14.650 -1.833
35 H MET 5 H MET 5 -10.070 -10.578 -0.891
36 HA MET 5 HA MET 5 -8.060 -8.431 -1.053
37 HB2 MET 5 2HB MET 5 -10.659 -8.715 -1.848
38 HB3 MET 5 1HB MET 5 -10.875 -7.819 -0.344
39 HG2 MET 5 2HG MET 5 -8.776 -6.905 -2.280
40 HG3 MET 5 1HG MET 5 -10.465 -6.531 -2.613
41 HE1 MET 5 3HE MET 5 -7.612 -4.666 0.292
42 HE2 MET 5 1HE MET 5 -7.570 -4.676 -1.481
43 HE3 MET 5 2HE MET 5 -7.418 -6.181 -0.581
44 H ALA 6 H ALA 6 -10.329 -9.703 1.404
45 HA ALA 6 HA ALA 6 -9.772 -7.816 3.481
46 HB1 ALA 6 1HB ALA 6 -11.689 -9.350 3.440
47 HB2 ALA 6 2HB ALA 6 -10.761 -9.578 4.920
48 HB3 ALA 6 3HB ALA 6 -10.604 -10.730 3.597
49 H ALA 7 H ALA 7 -8.132 -10.873 2.598
50 HA ALA 7 HA ALA 7 -6.285 -10.645 4.906
51 HB1 ALA 7 1HB ALA 7 -7.321 -12.788 4.142
52 HB2 ALA 7 2HB ALA 7 -5.559 -12.840 4.168
53 HB3 ALA 7 3HB ALA 7 -6.411 -12.645 2.638
54 H SER 8 H SER 8 -6.231 -8.696 2.474
55 HA SER 8 HA SER 8 -3.618 -9.286 1.234
56 HB2 SER 8 2HB SER 8 -5.504 -8.350 -0.057
57 HB3 SER 8 1HB SER 8 -5.550 -6.954 1.011
58 HG SER 8 HG SER 8 -4.108 -7.266 -1.159
59 H ALA 9 H ALA 9 -2.917 -9.200 3.733
60 HA ALA 9 HA ALA 9 -1.837 -8.089 5.511
61 HB1 ALA 9 1HB ALA 9 -0.160 -6.380 4.165
62 HB2 ALA 9 2HB ALA 9 -0.676 -7.467 2.877
63 HB3 ALA 9 3HB ALA 9 0.095 -8.118 4.321
64 H GLY 10 H GLY 10 -3.760 -6.921 6.343
65 HA2 GLY 10 2HA GLY 10 -4.548 -4.861 7.256
66 HA3 GLY 10 1HA GLY 10 -3.383 -3.999 6.242
67 H GLY 11 H GLY 11 -3.849 -4.313 3.794
68 HA2 GLY 11 2HA GLY 11 -6.090 -4.922 2.464
69 HA3 GLY 11 1HA GLY 11 -6.643 -3.492 3.338
70 H ALA 12 H ALA 12 -3.575 -4.289 1.666
71 HA ALA 12 HA ALA 12 -2.482 -3.279 -0.143
72 HB1 ALA 12 1HB ALA 12 -3.741 -2.091 -1.716
73 HB2 ALA 12 2HB ALA 12 -4.774 -1.359 -0.489
74 HB3 ALA 12 3HB ALA 12 -4.979 -3.058 -0.916
75 H VAL 13 H VAL 13 -4.243 -0.924 1.891
76 HA VAL 13 HA VAL 13 -2.465 1.292 1.675
77 HB VAL 13 HB VAL 13 -4.134 0.323 4.034
78 HG11 VAL 13 1HG1 VAL 13 -4.080 2.567 4.847
79 HG12 VAL 13 2HG1 VAL 13 -3.354 3.170 3.357
80 HG13 VAL 13 3HG1 VAL 13 -2.409 2.164 4.456
81 HG21 VAL 13 3HG2 VAL 13 -5.635 0.541 2.205
82 HG22 VAL 13 1HG2 VAL 13 -4.797 1.959 1.574
83 HG23 VAL 13 2HG2 VAL 13 -5.757 2.083 3.048
84 H PHE 14 H PHE 14 -2.558 -1.432 3.956
85 HA PHE 14 HA PHE 14 -0.158 -0.683 5.422
86 HB2 PHE 14 2HB PHE 14 -2.280 -2.100 6.052
87 HB3 PHE 14 1HB PHE 14 -1.395 -3.423 5.303
88 HD1 PHE 14 1HD PHE 14 -1.317 -0.916 8.037
89 HD2 PHE 14 2HD PHE 14 0.540 -4.402 6.346
90 HE1 PHE 14 1HE PHE 14 0.030 -1.201 10.098
91 HE2 PHE 14 2HE PHE 14 1.885 -4.686 8.406
92 HZ PHE 14 HZ PHE 14 1.632 -3.086 10.284
93 H VAL 15 H VAL 15 -0.893 -2.807 2.662
94 HA VAL 15 HA VAL 15 1.529 -4.311 2.544
95 HB VAL 15 HB VAL 15 -0.390 -3.348 0.394
96 HG11 VAL 15 1HG1 VAL 15 1.345 -4.009 -0.966
97 HG12 VAL 15 2HG1 VAL 15 0.632 -5.593 -0.663
98 HG13 VAL 15 3HG1 VAL 15 2.044 -5.071 0.256
99 HG21 VAL 15 3HG2 VAL 15 -1.369 -4.808 2.145
100 HG22 VAL 15 1HG2 VAL 15 -0.118 -6.008 1.827
101 HG23 VAL 15 2HG2 VAL 15 -1.306 -5.626 0.584
102 H GLY 16 H GLY 16 0.688 -1.152 1.044
103 HA2 GLY 16 2HA GLY 16 3.122 -0.750 -0.372
104 HA3 GLY 16 1HA GLY 16 2.053 0.541 0.175
105 H LEU 17 H LEU 17 2.217 0.080 2.982
106 HA LEU 17 HA LEU 17 4.651 1.485 3.642
107 HB2 LEU 17 2HB LEU 17 2.259 0.396 4.991
108 HB3 LEU 17 1HB LEU 17 3.699 0.427 6.007
109 HG LEU 17 HG LEU 17 3.984 2.864 5.090
110 HD11 LEU 17 1HD1 LEU 17 1.776 3.934 4.636
111 HD12 LEU 17 2HD1 LEU 17 1.033 2.336 4.627
112 HD13 LEU 17 3HD1 LEU 17 2.225 2.760 3.400
113 HD21 LEU 17 3HD2 LEU 17 1.800 2.104 7.061
114 HD22 LEU 17 1HD2 LEU 17 2.537 3.701 6.934
115 HD23 LEU 17 2HD2 LEU 17 3.509 2.321 7.439
116 H VAL 18 H VAL 18 3.655 -1.938 4.106
117 HA VAL 18 HA VAL 18 6.115 -2.773 5.378
118 HB VAL 18 HB VAL 18 3.976 -4.277 3.822
119 HG11 VAL 18 1HG1 VAL 18 6.499 -5.172 5.091
120 HG12 VAL 18 2HG1 VAL 18 5.525 -5.952 3.846
121 HG13 VAL 18 3HG1 VAL 18 5.069 -6.101 5.543
122 HG21 VAL 18 3HG2 VAL 18 3.368 -3.030 5.979
123 HG22 VAL 18 1HG2 VAL 18 4.435 -4.159 6.815
124 HG23 VAL 18 2HG2 VAL 18 3.012 -4.756 5.961
125 H LEU 19 H LEU 19 4.973 -2.784 1.992
126 HA LEU 19 HA LEU 19 7.178 -4.103 0.758
127 HB2 LEU 19 2HB LEU 19 4.983 -3.558 -0.274
128 HB3 LEU 19 1HB LEU 19 5.412 -1.849 -0.258
129 HG LEU 19 HG LEU 19 7.523 -3.396 -1.506
130 HD11 LEU 19 1HD1 LEU 19 5.509 -4.892 -1.977
131 HD12 LEU 19 2HD1 LEU 19 6.370 -4.298 -3.397
132 HD13 LEU 19 3HD1 LEU 19 4.846 -3.551 -2.914
133 HD21 LEU 19 3HD2 LEU 19 5.595 -1.310 -2.586
134 HD22 LEU 19 1HD2 LEU 19 7.128 -1.780 -3.321
135 HD23 LEU 19 2HD2 LEU 19 7.113 -0.959 -1.762
136 H LEU 20 H LEU 20 6.752 -0.739 1.814
137 HA LEU 20 HA LEU 20 9.110 0.352 0.528
138 HB2 LEU 20 2HB LEU 20 6.986 1.507 1.450
139 HB3 LEU 20 1HB LEU 20 7.743 1.362 3.033
140 HG LEU 20 HG LEU 20 9.459 2.485 0.880
141 HD11 LEU 20 1HD1 LEU 20 7.241 4.125 2.140
142 HD12 LEU 20 2HD1 LEU 20 7.218 3.539 0.476
143 HD13 LEU 20 3HD1 LEU 20 8.451 4.690 0.988
144 HD21 LEU 20 3HD2 LEU 20 8.870 3.424 3.706
145 HD22 LEU 20 1HD2 LEU 20 10.255 3.861 2.705
146 HD23 LEU 20 2HD2 LEU 20 10.095 2.216 3.316
147 H THR 21 H THR 21 8.416 -0.821 3.841
148 HA THR 21 HA THR 21 11.117 -0.364 4.835
149 HB THR 21 HB THR 21 8.833 -2.070 5.884
150 HG1 THR 21 1HG THR 21 8.022 -0.096 5.932
151 HG21 THR 21 3HG2 THR 21 10.675 -2.716 7.161
152 HG22 THR 21 1HG2 THR 21 10.035 -1.369 8.101
153 HG23 THR 21 2HG2 THR 21 11.434 -1.127 7.054
154 H LEU 22 H LEU 22 9.449 -3.101 3.319
155 HA LEU 22 HA LEU 22 11.801 -4.862 3.817
156 HB2 LEU 22 2HB LEU 22 9.106 -5.277 4.075
157 HB3 LEU 22 1HB LEU 22 9.380 -5.894 2.447
158 HG LEU 22 HG LEU 22 11.188 -6.701 4.723
159 HD11 LEU 22 1HD1 LEU 22 8.624 -8.095 3.894
160 HD12 LEU 22 2HD1 LEU 22 8.832 -7.174 5.384
161 HD13 LEU 22 3HD1 LEU 22 9.767 -8.645 5.120
162 HD21 LEU 22 3HD2 LEU 22 11.452 -8.718 3.276
163 HD22 LEU 22 1HD2 LEU 22 11.913 -7.235 2.439
164 HD23 LEU 22 2HD2 LEU 22 10.357 -7.991 2.100
165 H SER 23 H SER 23 12.690 -3.106 2.178
166 HA SER 23 HA SER 23 12.279 -4.099 -0.627
167 HB2 SER 23 2HB SER 23 11.551 -1.768 -0.112
168 HB3 SER 23 1HB SER 23 13.195 -1.385 0.380
169 HG SER 23 HG SER 23 13.870 -1.748 -1.721
170 HA PRO 24 HA PRO 24 16.705 -4.944 0.450
171 HB2 PRO 24 2HB PRO 24 16.692 -7.639 0.002
172 HB3 PRO 24 1HB PRO 24 16.227 -6.922 1.556
173 HG2 PRO 24 2HG PRO 24 14.555 -8.166 -0.495
174 HG3 PRO 24 1HG PRO 24 14.242 -7.921 1.226
175 HD2 PRO 24 2HD PRO 24 13.234 -6.405 -0.959
176 HD3 PRO 24 1HD PRO 24 12.991 -6.119 0.777
177 H HIS 25 H HIS 25 16.499 -3.650 -1.725
178 HA HIS 25 HA HIS 25 17.114 -3.363 -3.965
179 HB2 HIS 25 2HB HIS 25 18.622 -5.732 -2.952
180 HB3 HIS 25 1HB HIS 25 18.623 -5.485 -4.697
181 HD1 HIS 25 1HD HIS 25 19.273 -2.891 -5.425
182 HD2 HIS 25 2HD HIS 25 20.491 -4.171 -1.649
183 HE1 HIS 25 1HE HIS 25 21.099 -1.301 -4.684
184 H TYR 26 H TYR 26 14.566 -4.038 -3.894
185 HA TYR 26 HA TYR 26 14.196 -6.264 -5.878
186 HB2 TYR 26 2HB TYR 26 13.344 -6.465 -3.452
187 HB3 TYR 26 1HB TYR 26 12.152 -5.245 -3.901
188 HD1 TYR 26 1HD TYR 26 13.467 -8.618 -4.800
189 HD2 TYR 26 2HD TYR 26 10.234 -5.814 -5.176
190 HE1 TYR 26 1HE TYR 26 12.071 -10.367 -5.866
191 HE2 TYR 26 2HE TYR 26 8.840 -7.563 -6.242
192 HH TYR 26 HH TYR 26 9.055 -10.464 -6.033
193 H LYS 27 H LYS 27 12.348 -5.921 -7.377
194 HA LYS 27 HA LYS 27 11.845 -3.019 -7.957
195 HB2 LYS 27 2HB LYS 27 12.412 -5.432 -9.666
196 HB3 LYS 27 1HB LYS 27 11.532 -4.063 -10.344
197 HG2 LYS 27 2HG LYS 27 13.394 -2.559 -9.595
198 HG3 LYS 27 1HG LYS 27 14.291 -3.992 -9.091
199 HD2 LYS 27 2HD LYS 27 15.135 -3.760 -11.226
200 HD3 LYS 27 1HD LYS 27 13.737 -4.777 -11.579
201 HE2 LYS 27 2HE LYS 27 12.400 -2.725 -12.081
202 HE3 LYS 27 1HE LYS 27 13.859 -1.747 -11.828
203 HZ1 LYS 27 3HZ LYS 27 13.607 -2.324 -14.166
204 HZ2 LYS 27 1HZ LYS 27 13.590 -3.975 -13.785
205 HZ3 LYS 27 2HZ LYS 27 14.997 -3.054 -13.520
Start of MODEL 20
1 H1 MET 1 1HT MET 1 -20.651 5.803 -0.051
2 H2 MET 1 2HT MET 1 -20.341 7.464 0.119
3 H3 MET 1 3HT MET 1 -19.593 6.345 1.157
4 HA MET 1 HA MET 1 -19.104 6.640 -1.769
5 HB2 MET 1 2HB MET 1 -17.751 7.474 0.781
6 HB3 MET 1 1HB MET 1 -16.750 7.082 -0.614
7 HG2 MET 1 2HG MET 1 -17.388 8.943 -1.762
8 HG3 MET 1 1HG MET 1 -19.057 8.840 -1.200
9 HE1 MET 1 2HE MET 1 -15.393 10.464 0.926
10 HE2 MET 1 3HE MET 1 -15.767 11.082 -0.680
11 HE3 MET 1 1HE MET 1 -15.527 9.345 -0.425
12 H ASP 2 H ASP 2 -19.073 4.504 -2.464
13 HA ASP 2 HA ASP 2 -17.593 2.489 -0.806
14 HB2 ASP 2 2HB ASP 2 -19.699 2.213 -2.977
15 HB3 ASP 2 1HB ASP 2 -18.972 0.869 -2.094
16 H ARG 3 H ARG 3 -16.188 4.377 -2.467
17 HA ARG 3 HA ARG 3 -15.099 2.620 -4.648
18 HB2 ARG 3 2HB ARG 3 -15.630 5.574 -4.400
19 HB3 ARG 3 1HB ARG 3 -14.351 5.015 -5.472
20 HG2 ARG 3 2HG ARG 3 -16.247 5.127 -6.872
21 HG3 ARG 3 1HG ARG 3 -16.110 3.421 -6.470
22 HD2 ARG 3 2HD ARG 3 -18.466 4.375 -6.321
23 HD3 ARG 3 1HD ARG 3 -17.902 3.591 -4.840
24 HE ARG 3 HE ARG 3 -17.800 5.722 -3.787
25 HH11 ARG 3 1HH2 ARG 3 -20.117 6.378 -5.659
26 HH12 ARG 3 2HH2 ARG 3 -19.603 7.893 -6.318
27 HH21 ARG 3 1HH1 ARG 3 -16.294 7.498 -5.295
28 HH22 ARG 3 2HH1 ARG 3 -17.416 8.534 -6.110
29 H GLU 4 H GLU 4 -14.292 5.185 -2.296
30 HA GLU 4 HA GLU 4 -11.419 4.468 -2.351
31 HB2 GLU 4 2HB GLU 4 -12.351 6.824 -2.397
32 HB3 GLU 4 1HB GLU 4 -12.909 6.563 -0.745
33 HG2 GLU 4 2HG GLU 4 -10.138 5.769 -0.979
34 HG3 GLU 4 1HG GLU 4 -10.344 7.420 -1.564
35 H MET 5 H MET 5 -14.230 4.419 -0.155
36 HA MET 5 HA MET 5 -12.661 3.175 2.029
37 HB2 MET 5 2HB MET 5 -15.400 4.351 1.653
38 HB3 MET 5 1HB MET 5 -15.082 3.321 3.047
39 HG2 MET 5 2HG MET 5 -13.795 4.888 4.067
40 HG3 MET 5 1HG MET 5 -12.998 5.350 2.564
41 HE1 MET 5 3HE MET 5 -13.286 8.057 2.086
42 HE2 MET 5 1HE MET 5 -14.739 8.112 1.074
43 HE3 MET 5 2HE MET 5 -13.632 6.749 0.961
44 H ALA 6 H ALA 6 -13.543 1.752 -0.669
45 HA ALA 6 HA ALA 6 -15.155 -0.480 0.461
46 HB1 ALA 6 1HB ALA 6 -15.918 0.354 -1.648
47 HB2 ALA 6 2HB ALA 6 -15.086 -1.155 -2.019
48 HB3 ALA 6 3HB ALA 6 -14.283 0.388 -2.309
49 H ALA 7 H ALA 7 -12.314 -0.310 -1.735
50 HA ALA 7 HA ALA 7 -10.796 -2.184 0.004
51 HB1 ALA 7 1HB ALA 7 -10.529 -3.748 -1.920
52 HB2 ALA 7 2HB ALA 7 -11.667 -2.764 -2.840
53 HB3 ALA 7 3HB ALA 7 -12.204 -3.606 -1.387
54 H SER 8 H SER 8 -10.566 0.666 -1.297
55 HA SER 8 HA SER 8 -7.982 0.271 -2.746
56 HB2 SER 8 2HB SER 8 -8.498 2.724 -3.393
57 HB3 SER 8 1HB SER 8 -9.501 1.464 -4.096
58 HG SER 8 HG SER 8 -11.109 2.494 -3.204
59 H ALA 9 H ALA 9 -9.477 2.449 -0.268
60 HA ALA 9 HA ALA 9 -6.753 3.258 0.604
61 HB1 ALA 9 1HB ALA 9 -9.527 4.076 1.529
62 HB2 ALA 9 2HB ALA 9 -8.577 4.910 0.300
63 HB3 ALA 9 3HB ALA 9 -8.018 4.874 1.972
64 H GLY 10 H GLY 10 -6.393 0.883 1.308
65 HA2 GLY 10 2HA GLY 10 -6.603 0.682 4.164
66 HA3 GLY 10 1HA GLY 10 -7.812 -0.357 3.415
67 H GLY 11 H GLY 11 -7.037 -2.064 1.955
68 HA2 GLY 11 2HA GLY 11 -4.879 -3.586 2.971
69 HA3 GLY 11 1HA GLY 11 -5.618 -3.844 1.395
70 H ALA 12 H ALA 12 -4.959 -1.537 0.043
71 HA ALA 12 HA ALA 12 -2.294 -1.971 -0.859
72 HB1 ALA 12 1HB ALA 12 -4.110 0.455 -1.034
73 HB2 ALA 12 2HB ALA 12 -4.052 -0.891 -2.174
74 HB3 ALA 12 3HB ALA 12 -2.675 0.201 -2.028
75 H VAL 13 H VAL 13 -3.578 0.311 1.560
76 HA VAL 13 HA VAL 13 -1.161 1.839 1.936
77 HB VAL 13 HB VAL 13 -3.502 1.291 3.800
78 HG11 VAL 13 1HG1 VAL 13 -1.590 3.644 3.758
79 HG12 VAL 13 2HG1 VAL 13 -1.463 2.290 4.881
80 HG13 VAL 13 3HG1 VAL 13 -2.877 3.342 4.926
81 HG21 VAL 13 3HG2 VAL 13 -4.045 3.715 2.862
82 HG22 VAL 13 1HG2 VAL 13 -4.525 2.281 1.955
83 HG23 VAL 13 2HG2 VAL 13 -3.073 3.169 1.496
84 H PHE 14 H PHE 14 -2.537 -0.984 3.680
85 HA PHE 14 HA PHE 14 -0.415 -1.207 5.623
86 HB2 PHE 14 2HB PHE 14 -2.841 -2.197 5.498
87 HB3 PHE 14 1HB PHE 14 -2.071 -3.517 4.621
88 HD1 PHE 14 1HD PHE 14 -0.384 -4.948 5.714
89 HD2 PHE 14 2HD PHE 14 -2.402 -1.820 7.859
90 HE1 PHE 14 1HE PHE 14 0.385 -5.923 7.862
91 HE2 PHE 14 2HE PHE 14 -1.632 -2.795 10.005
92 HZ PHE 14 HZ PHE 14 -0.238 -4.847 10.006
93 H VAL 15 H VAL 15 -1.033 -2.974 2.559
94 HA VAL 15 HA VAL 15 1.378 -4.564 2.649
95 HB VAL 15 HB VAL 15 -0.493 -3.713 0.410
96 HG11 VAL 15 1HG1 VAL 15 1.331 -4.401 -0.846
97 HG12 VAL 15 2HG1 VAL 15 0.545 -5.955 -0.572
98 HG13 VAL 15 3HG1 VAL 15 1.928 -5.480 0.414
99 HG21 VAL 15 3HG2 VAL 15 -0.325 -6.495 1.483
100 HG22 VAL 15 1HG2 VAL 15 -1.726 -5.600 0.896
101 HG23 VAL 15 2HG2 VAL 15 -1.092 -5.284 2.509
102 H GLY 16 H GLY 16 0.584 -1.428 1.125
103 HA2 GLY 16 2HA GLY 16 3.011 -1.049 -0.313
104 HA3 GLY 16 1HA GLY 16 1.946 0.246 0.233
105 H LEU 17 H LEU 17 2.106 -0.121 3.021
106 HA LEU 17 HA LEU 17 4.515 1.274 3.708
107 HB2 LEU 17 2HB LEU 17 2.343 1.290 4.943
108 HB3 LEU 17 1HB LEU 17 2.638 -0.374 5.440
109 HG LEU 17 HG LEU 17 4.973 1.168 6.067
110 HD11 LEU 17 1HD1 LEU 17 4.117 2.864 7.524
111 HD12 LEU 17 2HD1 LEU 17 2.461 2.291 7.330
112 HD13 LEU 17 3HD1 LEU 17 3.287 3.074 5.983
113 HD21 LEU 17 3HD2 LEU 17 2.833 0.068 7.917
114 HD22 LEU 17 1HD2 LEU 17 4.537 0.330 8.295
115 HD23 LEU 17 2HD2 LEU 17 4.071 -0.930 7.154
116 H VAL 18 H VAL 18 3.605 -2.178 4.109
117 HA VAL 18 HA VAL 18 6.052 -3.030 5.363
118 HB VAL 18 HB VAL 18 3.944 -4.447 3.689
119 HG11 VAL 18 1HG1 VAL 18 6.278 -5.570 5.260
120 HG12 VAL 18 2HG1 VAL 18 5.883 -5.851 3.565
121 HG13 VAL 18 3HG1 VAL 18 4.863 -6.532 4.831
122 HG21 VAL 18 3HG2 VAL 18 3.345 -3.393 5.943
123 HG22 VAL 18 1HG2 VAL 18 4.432 -4.573 6.675
124 HG23 VAL 18 2HG2 VAL 18 3.009 -5.117 5.787
125 H LEU 19 H LEU 19 5.017 -2.876 1.942
126 HA LEU 19 HA LEU 19 7.386 -4.055 0.801
127 HB2 LEU 19 2HB LEU 19 5.037 -3.567 -0.196
128 HB3 LEU 19 1HB LEU 19 5.658 -1.944 -0.495
129 HG LEU 19 HG LEU 19 7.708 -3.345 -1.516
130 HD11 LEU 19 1HD1 LEU 19 6.494 -5.221 -2.879
131 HD12 LEU 19 2HD1 LEU 19 5.311 -5.168 -1.573
132 HD13 LEU 19 3HD1 LEU 19 6.994 -5.559 -1.223
133 HD21 LEU 19 3HD2 LEU 19 6.129 -3.318 -3.711
134 HD22 LEU 19 1HD2 LEU 19 6.817 -1.851 -3.017
135 HD23 LEU 19 2HD2 LEU 19 5.154 -2.306 -2.647
136 H LEU 20 H LEU 20 6.551 -0.743 1.783
137 HA LEU 20 HA LEU 20 8.813 0.578 0.551
138 HB2 LEU 20 2HB LEU 20 6.464 1.328 1.720
139 HB3 LEU 20 1HB LEU 20 7.591 1.696 3.018
140 HG LEU 20 HG LEU 20 7.319 3.668 1.644
141 HD11 LEU 20 1HD1 LEU 20 9.970 2.507 0.789
142 HD12 LEU 20 2HD1 LEU 20 9.655 2.976 2.459
143 HD13 LEU 20 3HD1 LEU 20 9.581 4.182 1.176
144 HD21 LEU 20 3HD2 LEU 20 8.245 3.394 -0.820
145 HD22 LEU 20 1HD2 LEU 20 6.564 3.010 -0.451
146 HD23 LEU 20 2HD2 LEU 20 7.753 1.717 -0.593
147 H THR 21 H THR 21 8.272 -0.892 3.768
148 HA THR 21 HA THR 21 10.739 0.067 4.933
149 HB THR 21 HB THR 21 8.463 -0.969 5.895
150 HG1 THR 21 1HG THR 21 9.704 -0.102 7.375
151 HG21 THR 21 3HG2 THR 21 8.556 -3.206 6.558
152 HG22 THR 21 1HG2 THR 21 10.306 -3.299 6.357
153 HG23 THR 21 2HG2 THR 21 9.255 -3.276 4.942
154 H LEU 22 H LEU 22 10.024 -2.655 2.823
155 HA LEU 22 HA LEU 22 12.729 -3.828 3.335
156 HB2 LEU 22 2HB LEU 22 10.113 -4.861 2.930
157 HB3 LEU 22 1HB LEU 22 11.069 -5.332 1.526
158 HG LEU 22 HG LEU 22 12.450 -5.634 4.126
159 HD11 LEU 22 1HD1 LEU 22 10.068 -7.356 3.378
160 HD12 LEU 22 2HD1 LEU 22 10.224 -6.346 4.814
161 HD13 LEU 22 3HD1 LEU 22 11.249 -7.767 4.622
162 HD21 LEU 22 3HD2 LEU 22 13.449 -6.406 2.032
163 HD22 LEU 22 1HD2 LEU 22 12.027 -7.387 1.681
164 HD23 LEU 22 2HD2 LEU 22 13.073 -7.805 3.038
165 H SER 23 H SER 23 10.692 -2.412 0.791
166 HA SER 23 HA SER 23 11.227 -1.489 -1.282
167 HB2 SER 23 2HB SER 23 13.493 -1.180 0.304
168 HB3 SER 23 1HB SER 23 14.118 -1.946 -1.152
169 HG SER 23 HG SER 23 14.025 0.333 -1.343
170 HA PRO 24 HA PRO 24 11.882 -4.996 -3.905
171 HB2 PRO 24 2HB PRO 24 12.372 -3.777 -6.300
172 HB3 PRO 24 1HB PRO 24 10.782 -3.755 -5.515
173 HG2 PRO 24 2HG PRO 24 12.730 -1.601 -5.828
174 HG3 PRO 24 1HG PRO 24 10.993 -1.520 -5.515
175 HD2 PRO 24 2HD PRO 24 13.127 -1.192 -3.653
176 HD3 PRO 24 1HD PRO 24 11.379 -1.145 -3.338
177 H HIS 25 H HIS 25 14.074 -5.051 -2.466
178 HA HIS 25 HA HIS 25 16.375 -5.496 -2.356
179 HB2 HIS 25 2HB HIS 25 15.440 -6.353 -5.079
180 HB3 HIS 25 1HB HIS 25 17.157 -6.456 -4.703
181 HD1 HIS 25 1HD HIS 25 17.915 -8.328 -3.166
182 HD2 HIS 25 2HD HIS 25 13.764 -7.969 -3.312
183 HE1 HIS 25 1HE HIS 25 16.978 -10.333 -1.935
184 H TYR 26 H TYR 26 15.862 -2.761 -2.658
185 HA TYR 26 HA TYR 26 18.075 -1.873 -4.481
186 HB2 TYR 26 2HB TYR 26 15.616 -1.404 -5.111
187 HB3 TYR 26 1HB TYR 26 15.624 -0.262 -3.767
188 HD1 TYR 26 2HD TYR 26 17.251 -1.111 -6.999
189 HD2 TYR 26 1HD TYR 26 16.729 1.847 -3.928
190 HE1 TYR 26 2HE TYR 26 18.373 0.573 -8.430
191 HE2 TYR 26 1HE TYR 26 17.852 3.531 -5.361
192 HH TYR 26 HH TYR 26 19.726 3.157 -7.504
193 H LYS 27 H LYS 27 19.706 -0.917 -3.367
194 HA LYS 27 HA LYS 27 20.928 0.142 -1.674
195 HB2 LYS 27 2HB LYS 27 19.159 1.838 -2.567
196 HB3 LYS 27 1HB LYS 27 18.361 1.583 -1.017
197 HG2 LYS 27 2HG LYS 27 19.776 3.467 -0.691
198 HG3 LYS 27 1HG LYS 27 20.614 2.117 0.072
199 HD2 LYS 27 2HD LYS 27 22.160 1.916 -1.715
200 HD3 LYS 27 1HD LYS 27 21.164 2.892 -2.794
201 HE2 LYS 27 2HE LYS 27 22.926 4.352 -2.102
202 HE3 LYS 27 1HE LYS 27 21.540 4.821 -1.100
203 HZ1 LYS 27 3HZ LYS 27 23.619 4.440 0.186
204 HZ2 LYS 27 1HZ LYS 27 23.572 2.810 -0.275
205 HZ3 LYS 27 2HZ LYS 27 22.323 3.459 0.678
Start of MODEL 21
1 H1 MET 1 1HT MET 1 -8.589 -9.686 17.778
2 H2 MET 1 2HT MET 1 -8.799 -11.314 17.333
3 H3 MET 1 3HT MET 1 -10.094 -10.220 17.219
4 HA MET 1 HA MET 1 -9.213 -9.124 15.379
5 HB2 MET 1 2HB MET 1 -6.848 -9.369 14.759
6 HB3 MET 1 1HB MET 1 -6.998 -8.857 16.436
7 HG2 MET 1 2HG MET 1 -6.938 -11.787 16.086
8 HG3 MET 1 1HG MET 1 -5.466 -10.971 15.566
9 HE1 MET 1 2HE MET 1 -4.479 -12.624 17.510
10 HE2 MET 1 3HE MET 1 -3.807 -11.610 18.783
11 HE3 MET 1 1HE MET 1 -3.641 -11.136 17.084
12 H ASP 2 H ASP 2 -10.626 -11.691 15.726
13 HA ASP 2 HA ASP 2 -9.483 -13.495 13.670
14 HB2 ASP 2 2HB ASP 2 -10.571 -14.216 15.857
15 HB3 ASP 2 1HB ASP 2 -12.108 -13.677 15.179
16 H ARG 3 H ARG 3 -12.460 -11.560 14.180
17 HA ARG 3 HA ARG 3 -13.116 -11.826 11.275
18 HB2 ARG 3 2HB ARG 3 -14.703 -12.399 13.223
19 HB3 ARG 3 1HB ARG 3 -14.816 -10.658 13.484
20 HG2 ARG 3 2HG ARG 3 -16.621 -11.066 12.052
21 HG3 ARG 3 1HG ARG 3 -15.360 -10.550 10.933
22 HD2 ARG 3 2HD ARG 3 -14.827 -13.189 10.932
23 HD3 ARG 3 1HD ARG 3 -16.560 -13.259 11.309
24 HE ARG 3 HE ARG 3 -16.471 -11.423 9.256
25 HH11 ARG 3 1HH2 ARG 3 -13.942 -12.839 8.399
26 HH12 ARG 3 2HH2 ARG 3 -14.558 -14.029 7.304
27 HH21 ARG 3 1HH1 ARG 3 -17.845 -13.718 8.426
28 HH22 ARG 3 2HH1 ARG 3 -16.793 -14.533 7.321
29 H GLU 4 H GLU 4 -11.835 -9.537 13.553
30 HA GLU 4 HA GLU 4 -12.775 -7.091 12.310
31 HB2 GLU 4 2HB GLU 4 -10.341 -7.614 14.045
32 HB3 GLU 4 1HB GLU 4 -11.104 -6.052 13.769
33 HG2 GLU 4 2HG GLU 4 -12.397 -6.456 15.569
34 HG3 GLU 4 1HG GLU 4 -13.190 -7.727 14.639
35 H MET 5 H MET 5 -9.649 -8.859 12.143
36 HA MET 5 HA MET 5 -8.527 -7.049 10.147
37 HB2 MET 5 2HB MET 5 -7.479 -8.699 11.973
38 HB3 MET 5 1HB MET 5 -7.470 -9.807 10.602
39 HG2 MET 5 2HG MET 5 -6.484 -7.517 9.456
40 HG3 MET 5 1HG MET 5 -5.827 -7.406 11.089
41 HE1 MET 5 3HE MET 5 -5.220 -10.579 11.949
42 HE2 MET 5 1HE MET 5 -4.608 -8.945 12.261
43 HE3 MET 5 2HE MET 5 -3.533 -10.188 11.630
44 H ALA 6 H ALA 6 -9.833 -10.386 10.041
45 HA ALA 6 HA ALA 6 -10.541 -11.733 8.257
46 HB1 ALA 6 1HB ALA 6 -11.151 -9.027 7.040
47 HB2 ALA 6 2HB ALA 6 -12.145 -9.806 8.272
48 HB3 ALA 6 3HB ALA 6 -11.960 -10.555 6.686
49 H ALA 7 H ALA 7 -7.701 -11.022 8.215
50 HA ALA 7 HA ALA 7 -5.819 -11.106 6.831
51 HB1 ALA 7 1HB ALA 7 -7.765 -12.469 4.963
52 HB2 ALA 7 2HB ALA 7 -7.087 -13.236 6.402
53 HB3 ALA 7 3HB ALA 7 -6.027 -12.738 5.083
54 H SER 8 H SER 8 -7.108 -8.616 6.608
55 HA SER 8 HA SER 8 -7.266 -7.945 3.719
56 HB2 SER 8 2HB SER 8 -8.913 -7.114 5.408
57 HB3 SER 8 1HB SER 8 -7.609 -6.247 6.208
58 HG SER 8 HG SER 8 -8.557 -5.902 3.542
59 H ALA 9 H ALA 9 -4.737 -8.264 5.908
60 HA ALA 9 HA ALA 9 -2.559 -7.404 6.044
61 HB1 ALA 9 1HB ALA 9 -3.168 -6.593 3.182
62 HB2 ALA 9 2HB ALA 9 -2.761 -8.239 3.665
63 HB3 ALA 9 3HB ALA 9 -1.581 -6.944 3.868
64 H GLY 10 H GLY 10 -4.184 -5.734 7.331
65 HA2 GLY 10 2HA GLY 10 -4.113 -3.504 8.157
66 HA3 GLY 10 1HA GLY 10 -3.070 -3.065 6.801
67 H GLY 11 H GLY 11 -4.264 -3.383 4.602
68 HA2 GLY 11 2HA GLY 11 -6.824 -3.317 3.893
69 HA3 GLY 11 1HA GLY 11 -6.730 -1.759 4.722
70 H ALA 12 H ALA 12 -4.466 -3.464 2.550
71 HA ALA 12 HA ALA 12 -3.559 -2.902 0.466
72 HB1 ALA 12 1HB ALA 12 -4.760 -1.482 -0.946
73 HB2 ALA 12 2HB ALA 12 -5.236 -0.407 0.366
74 HB3 ALA 12 3HB ALA 12 -6.013 -1.982 0.189
75 H VAL 13 H VAL 13 -4.152 -0.056 2.537
76 HA VAL 13 HA VAL 13 -1.917 1.538 1.774
77 HB VAL 13 HB VAL 13 -3.294 1.256 4.474
78 HG11 VAL 13 1HG1 VAL 13 -1.802 3.603 3.254
79 HG12 VAL 13 2HG1 VAL 13 -1.191 2.569 4.545
80 HG13 VAL 13 3HG1 VAL 13 -2.603 3.587 4.825
81 HG21 VAL 13 3HG2 VAL 13 -3.996 2.786 1.961
82 HG22 VAL 13 1HG2 VAL 13 -4.566 3.318 3.542
83 HG23 VAL 13 2HG2 VAL 13 -5.028 1.731 2.928
84 H PHE 14 H PHE 14 -2.268 -0.890 4.371
85 HA PHE 14 HA PHE 14 0.405 -0.687 5.411
86 HB2 PHE 14 2HB PHE 14 -1.773 -1.680 6.397
87 HB3 PHE 14 1HB PHE 14 -1.361 -3.130 5.489
88 HD1 PHE 14 1HD PHE 14 0.123 -0.685 7.917
89 HD2 PHE 14 2HD PHE 14 0.114 -4.706 6.407
90 HE1 PHE 14 1HE PHE 14 1.722 -1.354 9.689
91 HE2 PHE 14 2HE PHE 14 1.712 -5.375 8.179
92 HZ PHE 14 HZ PHE 14 2.518 -3.699 9.821
93 H VAL 15 H VAL 15 -1.027 -2.711 2.836
94 HA VAL 15 HA VAL 15 1.114 -4.558 2.469
95 HB VAL 15 HB VAL 15 -0.864 -3.316 0.516
96 HG11 VAL 15 1HG1 VAL 15 1.002 -5.686 0.214
97 HG12 VAL 15 2HG1 VAL 15 0.906 -4.254 -0.812
98 HG13 VAL 15 3HG1 VAL 15 -0.407 -5.430 -0.815
99 HG21 VAL 15 3HG2 VAL 15 -2.232 -5.220 0.953
100 HG22 VAL 15 1HG2 VAL 15 -1.687 -4.679 2.540
101 HG23 VAL 15 2HG2 VAL 15 -0.922 -6.070 1.773
102 H GLY 16 H GLY 16 0.542 -1.345 0.976
103 HA2 GLY 16 2HA GLY 16 2.996 -1.310 -0.543
104 HA3 GLY 16 1HA GLY 16 2.000 0.100 -0.168
105 H LEU 17 H LEU 17 2.058 -0.171 2.695
106 HA LEU 17 HA LEU 17 4.463 1.246 3.365
107 HB2 LEU 17 2HB LEU 17 1.992 0.448 4.571
108 HB3 LEU 17 1HB LEU 17 3.293 -0.025 5.659
109 HG LEU 17 HG LEU 17 3.871 2.595 4.640
110 HD11 LEU 17 1HD1 LEU 17 1.100 2.237 5.815
111 HD12 LEU 17 2HD1 LEU 17 1.492 2.864 4.214
112 HD13 LEU 17 3HD1 LEU 17 1.919 3.790 5.653
113 HD21 LEU 17 3HD2 LEU 17 4.726 1.762 6.749
114 HD22 LEU 17 1HD2 LEU 17 3.093 1.501 7.361
115 HD23 LEU 17 2HD2 LEU 17 3.685 3.141 7.098
116 H VAL 18 H VAL 18 3.492 -2.168 3.852
117 HA VAL 18 HA VAL 18 5.798 -3.067 5.286
118 HB VAL 18 HB VAL 18 3.798 -4.373 3.415
119 HG11 VAL 18 1HG1 VAL 18 4.685 -6.546 4.525
120 HG12 VAL 18 2HG1 VAL 18 6.144 -5.611 4.856
121 HG13 VAL 18 3HG1 VAL 18 5.615 -5.862 3.191
122 HG21 VAL 18 3HG2 VAL 18 4.202 -4.771 6.387
123 HG22 VAL 18 1HG2 VAL 18 2.785 -5.176 5.418
124 HG23 VAL 18 2HG2 VAL 18 3.177 -3.489 5.745
125 H LEU 19 H LEU 19 5.138 -2.808 1.792
126 HA LEU 19 HA LEU 19 7.549 -4.010 0.804
127 HB2 LEU 19 2HB LEU 19 5.366 -3.446 -0.392
128 HB3 LEU 19 1HB LEU 19 5.925 -1.776 -0.445
129 HG LEU 19 HG LEU 19 8.004 -3.590 -1.360
130 HD11 LEU 19 1HD1 LEU 19 5.433 -3.575 -2.970
131 HD12 LEU 19 2HD1 LEU 19 5.984 -4.944 -2.003
132 HD13 LEU 19 3HD1 LEU 19 6.938 -4.397 -3.382
133 HD21 LEU 19 3HD2 LEU 19 6.457 -1.452 -2.858
134 HD22 LEU 19 1HD2 LEU 19 8.090 -2.026 -3.199
135 HD23 LEU 19 2HD2 LEU 19 7.770 -1.094 -1.736
136 H LEU 20 H LEU 20 6.715 -0.609 1.572
137 HA LEU 20 HA LEU 20 9.130 0.641 0.718
138 HB2 LEU 20 2HB LEU 20 6.839 1.580 1.519
139 HB3 LEU 20 1HB LEU 20 7.527 1.475 3.137
140 HG LEU 20 HG LEU 20 9.165 2.795 1.008
141 HD11 LEU 20 1HD1 LEU 20 8.027 4.916 1.311
142 HD12 LEU 20 2HD1 LEU 20 6.911 4.198 2.472
143 HD13 LEU 20 3HD1 LEU 20 6.847 3.720 0.775
144 HD21 LEU 20 3HD2 LEU 20 9.555 4.306 3.100
145 HD22 LEU 20 1HD2 LEU 20 10.243 2.683 3.106
146 HD23 LEU 20 2HD2 LEU 20 8.755 3.011 3.993
147 H THR 21 H THR 21 8.232 -0.701 3.917
148 HA THR 21 HA THR 21 10.688 -0.075 5.270
149 HB THR 21 HB THR 21 8.714 -2.335 5.754
150 HG1 THR 21 1HG THR 21 7.397 -0.817 6.330
151 HG21 THR 21 3HG2 THR 21 9.454 -1.712 8.191
152 HG22 THR 21 1HG2 THR 21 10.877 -1.044 7.390
153 HG23 THR 21 2HG2 THR 21 10.486 -2.754 7.212
154 H LEU 22 H LEU 22 9.692 -2.836 3.263
155 HA LEU 22 HA LEU 22 11.874 -4.603 3.851
156 HB2 LEU 22 2HB LEU 22 9.661 -4.352 1.969
157 HB3 LEU 22 1HB LEU 22 11.095 -4.983 1.170
158 HG LEU 22 HG LEU 22 9.745 -6.819 2.051
159 HD11 LEU 22 1HD1 LEU 22 11.473 -8.025 3.115
160 HD12 LEU 22 2HD1 LEU 22 12.137 -6.579 3.873
161 HD13 LEU 22 3HD1 LEU 22 12.319 -6.827 2.137
162 HD21 LEU 22 3HD2 LEU 22 9.768 -6.962 4.682
163 HD22 LEU 22 1HD2 LEU 22 8.529 -6.007 3.871
164 HD23 LEU 22 2HD2 LEU 22 9.930 -5.209 4.587
165 H SER 23 H SER 23 11.530 -1.878 1.600
166 HA SER 23 HA SER 23 14.109 -2.341 0.274
167 HB2 SER 23 2HB SER 23 12.219 0.040 0.276
168 HB3 SER 23 1HB SER 23 13.513 -0.249 -0.879
169 HG SER 23 HG SER 23 11.553 -0.981 -1.730
170 HA PRO 24 HA PRO 24 16.171 -0.245 3.711
171 HB2 PRO 24 2HB PRO 24 18.716 -0.498 2.750
172 HB3 PRO 24 1HB PRO 24 17.843 -1.820 3.552
173 HG2 PRO 24 2HG PRO 24 18.273 -1.333 0.651
174 HG3 PRO 24 1HG PRO 24 18.304 -2.854 1.559
175 HD2 PRO 24 2HD PRO 24 16.188 -2.083 0.050
176 HD3 PRO 24 1HD PRO 24 16.031 -3.097 1.501
177 H HIS 25 H HIS 25 16.500 1.937 3.943
178 HA HIS 25 HA HIS 25 17.567 3.546 1.667
179 HB2 HIS 25 2HB HIS 25 14.911 3.254 2.022
180 HB3 HIS 25 1HB HIS 25 15.188 4.592 3.133
181 HD1 HIS 25 1HD HIS 25 14.271 4.075 -0.224
182 HD2 HIS 25 2HD HIS 25 17.009 6.637 1.605
183 HE1 HIS 25 1HE HIS 25 14.715 5.947 -1.873
184 H TYR 26 H TYR 26 19.307 3.207 3.585
185 HA TYR 26 HA TYR 26 18.935 5.295 5.698
186 HB2 TYR 26 2HB TYR 26 20.650 2.835 5.369
187 HB3 TYR 26 1HB TYR 26 21.052 4.053 6.577
188 HD1 TYR 26 2HD TYR 26 19.424 4.602 8.399
189 HD2 TYR 26 1HD TYR 26 18.774 1.363 5.652
190 HE1 TYR 26 2HE TYR 26 17.715 3.649 9.925
191 HE2 TYR 26 1HE TYR 26 17.068 0.412 7.176
192 HH TYR 26 HH TYR 26 16.786 0.945 10.183
193 H LYS 27 H LYS 27 19.325 6.859 3.758
194 HA LYS 27 HA LYS 27 22.103 7.788 3.882
195 HB2 LYS 27 2HB LYS 27 22.501 7.589 1.456
196 HB3 LYS 27 1HB LYS 27 22.221 6.011 2.183
197 HG2 LYS 27 2HG LYS 27 20.721 5.735 0.501
198 HG3 LYS 27 1HG LYS 27 19.669 6.745 1.490
199 HD2 LYS 27 2HD LYS 27 21.029 8.696 0.251
200 HD3 LYS 27 1HD LYS 27 21.194 7.441 -0.978
201 HE2 LYS 27 2HE LYS 27 19.149 8.224 -1.673
202 HE3 LYS 27 1HE LYS 27 18.535 7.197 -0.363
203 HZ1 LYS 27 3HZ LYS 27 17.726 9.472 -0.133
204 HZ2 LYS 27 1HZ LYS 27 19.316 10.055 -0.086
205 HZ3 LYS 27 2HZ LYS 27 18.743 9.061 1.168
Start of MODEL 22
1 H1 MET 1 1HT MET 1 -12.631 -9.721 -13.084
2 H2 MET 1 2HT MET 1 -11.937 -10.035 -11.563
3 H3 MET 1 3HT MET 1 -11.911 -11.224 -12.775
4 HA MET 1 HA MET 1 -10.404 -9.917 -14.116
5 HB2 MET 1 2HB MET 1 -11.560 -7.881 -12.466
6 HB3 MET 1 1HB MET 1 -9.814 -7.828 -12.245
7 HG2 MET 1 2HG MET 1 -10.254 -6.414 -14.105
8 HG3 MET 1 1HG MET 1 -9.631 -7.910 -14.797
9 HE1 MET 1 2HE MET 1 -12.995 -5.803 -16.349
10 HE2 MET 1 3HE MET 1 -11.333 -5.449 -15.888
11 HE3 MET 1 1HE MET 1 -12.625 -5.412 -14.674
12 H ASP 2 H ASP 2 -8.018 -9.393 -13.395
13 HA ASP 2 HA ASP 2 -7.283 -11.315 -11.221
14 HB2 ASP 2 2HB ASP 2 -6.472 -11.777 -13.500
15 HB3 ASP 2 1HB ASP 2 -5.727 -10.179 -13.569
16 H ARG 3 H ARG 3 -5.790 -10.672 -9.622
17 HA ARG 3 HA ARG 3 -4.760 -9.248 -8.087
18 HB2 ARG 3 2HB ARG 3 -4.226 -8.015 -10.776
19 HB3 ARG 3 1HB ARG 3 -3.682 -7.185 -9.319
20 HG2 ARG 3 2HG ARG 3 -2.286 -8.982 -8.671
21 HG3 ARG 3 1HG ARG 3 -3.088 -10.108 -9.764
22 HD2 ARG 3 2HD ARG 3 -1.028 -9.574 -10.846
23 HD3 ARG 3 1HD ARG 3 -2.239 -8.577 -11.675
24 HE ARG 3 HE ARG 3 -1.432 -6.640 -10.479
25 HH11 ARG 3 1HH2 ARG 3 -0.787 -7.810 -7.845
26 HH12 ARG 3 2HH2 ARG 3 0.944 -7.810 -7.826
27 HH21 ARG 3 1HH1 ARG 3 1.221 -7.400 -11.278
28 HH22 ARG 3 2HH1 ARG 3 2.095 -7.575 -9.795
29 H GLU 4 H GLU 4 -5.618 -6.374 -9.936
30 HA GLU 4 HA GLU 4 -7.003 -4.559 -9.432
31 HB2 GLU 4 2HB GLU 4 -8.505 -6.785 -9.723
32 HB3 GLU 4 1HB GLU 4 -8.970 -6.324 -8.087
33 HG2 GLU 4 2HG GLU 4 -10.198 -4.587 -8.832
34 HG3 GLU 4 1HG GLU 4 -8.882 -4.008 -9.854
35 H MET 5 H MET 5 -5.171 -5.766 -7.153
36 HA MET 5 HA MET 5 -5.828 -3.804 -5.134
37 HB2 MET 5 2HB MET 5 -7.623 -5.462 -4.727
38 HB3 MET 5 1HB MET 5 -6.416 -6.732 -4.554
39 HG2 MET 5 2HG MET 5 -6.362 -6.241 -2.353
40 HG3 MET 5 1HG MET 5 -5.570 -4.729 -2.788
41 HE1 MET 5 3HE MET 5 -6.526 -2.524 -2.884
42 HE2 MET 5 1HE MET 5 -8.245 -2.097 -2.877
43 HE3 MET 5 2HE MET 5 -7.554 -2.969 -4.240
44 H ALA 6 H ALA 6 -4.441 -7.116 -5.233
45 HA ALA 6 HA ALA 6 -2.325 -7.948 -4.685
46 HB1 ALA 6 1HB ALA 6 -1.300 -5.189 -5.346
47 HB2 ALA 6 2HB ALA 6 -1.965 -6.238 -6.598
48 HB3 ALA 6 3HB ALA 6 -0.550 -6.751 -5.676
49 H ALA 7 H ALA 7 -3.915 -6.708 -2.532
50 HA ALA 7 HA ALA 7 -1.749 -6.343 -0.558
51 HB1 ALA 7 1HB ALA 7 -2.058 -4.083 -1.280
52 HB2 ALA 7 2HB ALA 7 -2.960 -4.216 0.228
53 HB3 ALA 7 3HB ALA 7 -3.811 -4.257 -1.316
54 H SER 8 H SER 8 -5.221 -5.515 -0.440
55 HA SER 8 HA SER 8 -6.991 -6.320 0.830
56 HB2 SER 8 2HB SER 8 -5.417 -8.849 0.309
57 HB3 SER 8 1HB SER 8 -7.033 -8.835 1.000
58 HG SER 8 HG SER 8 -6.323 -8.668 -1.558
59 H ALA 9 H ALA 9 -4.532 -8.532 2.189
60 HA ALA 9 HA ALA 9 -5.310 -8.485 4.855
61 HB1 ALA 9 1HB ALA 9 -2.621 -8.767 3.519
62 HB2 ALA 9 2HB ALA 9 -3.700 -10.043 4.084
63 HB3 ALA 9 3HB ALA 9 -2.840 -9.035 5.248
64 H GLY 10 H GLY 10 -3.065 -6.142 3.311
65 HA2 GLY 10 2HA GLY 10 -2.772 -4.693 5.875
66 HA3 GLY 10 1HA GLY 10 -1.941 -4.309 4.370
67 H GLY 11 H GLY 11 -5.465 -4.750 4.652
68 HA2 GLY 11 2HA GLY 11 -7.202 -3.288 4.115
69 HA3 GLY 11 1HA GLY 11 -6.271 -2.091 5.014
70 H ALA 12 H ALA 12 -5.003 -3.635 2.102
71 HA ALA 12 HA ALA 12 -4.285 -2.727 0.063
72 HB1 ALA 12 1HB ALA 12 -6.862 -2.647 0.028
73 HB2 ALA 12 2HB ALA 12 -6.018 -1.620 -1.131
74 HB3 ALA 12 3HB ALA 12 -6.693 -0.920 0.340
75 H VAL 13 H VAL 13 -3.445 -1.410 2.632
76 HA VAL 13 HA VAL 13 -2.394 1.138 1.488
77 HB VAL 13 HB VAL 13 -3.889 0.701 4.103
78 HG11 VAL 13 1HG1 VAL 13 -2.099 2.104 4.756
79 HG12 VAL 13 2HG1 VAL 13 -3.399 3.233 4.379
80 HG13 VAL 13 3HG1 VAL 13 -2.097 2.968 3.219
81 HG21 VAL 13 3HG2 VAL 13 -5.374 1.173 2.253
82 HG22 VAL 13 1HG2 VAL 13 -4.344 2.490 1.694
83 HG23 VAL 13 2HG2 VAL 13 -5.238 2.649 3.207
84 H PHE 14 H PHE 14 -2.428 -0.781 4.510
85 HA PHE 14 HA PHE 14 0.227 -0.338 5.368
86 HB2 PHE 14 2HB PHE 14 -1.629 -1.358 6.671
87 HB3 PHE 14 1HB PHE 14 -1.527 -2.799 5.664
88 HD1 PHE 14 1HD PHE 14 0.867 -0.583 7.553
89 HD2 PHE 14 2HD PHE 14 -0.361 -4.586 6.583
90 HE1 PHE 14 1HE PHE 14 2.668 -1.487 8.996
91 HE2 PHE 14 2HE PHE 14 1.438 -5.487 8.029
92 HZ PHE 14 HZ PHE 14 2.954 -3.938 9.236
93 H VAL 15 H VAL 15 -1.032 -2.653 2.972
94 HA VAL 15 HA VAL 15 1.216 -4.368 2.701
95 HB VAL 15 HB VAL 15 -0.990 -3.383 0.867
96 HG11 VAL 15 1HG1 VAL 15 -0.204 -5.392 -0.601
97 HG12 VAL 15 2HG1 VAL 15 1.355 -5.165 0.187
98 HG13 VAL 15 3HG1 VAL 15 0.650 -3.859 -0.765
99 HG21 VAL 15 3HG2 VAL 15 -2.082 -5.190 1.673
100 HG22 VAL 15 1HG2 VAL 15 -0.815 -5.292 2.895
101 HG23 VAL 15 2HG2 VAL 15 -0.692 -6.242 1.415
102 H GLY 16 H GLY 16 0.540 -1.208 1.143
103 HA2 GLY 16 2HA GLY 16 2.919 -1.120 -0.463
104 HA3 GLY 16 1HA GLY 16 1.959 0.284 0.013
105 H LEU 17 H LEU 17 2.159 -0.000 2.838
106 HA LEU 17 HA LEU 17 4.653 1.317 3.398
107 HB2 LEU 17 2HB LEU 17 2.415 0.087 4.990
108 HB3 LEU 17 1HB LEU 17 3.876 0.605 5.825
109 HG LEU 17 HG LEU 17 3.311 2.747 4.140
110 HD11 LEU 17 1HD1 LEU 17 0.751 1.608 5.297
111 HD12 LEU 17 2HD1 LEU 17 1.111 1.895 3.594
112 HD13 LEU 17 3HD1 LEU 17 0.918 3.257 4.695
113 HD21 LEU 17 3HD2 LEU 17 2.719 3.900 6.230
114 HD22 LEU 17 1HD2 LEU 17 4.084 2.820 6.500
115 HD23 LEU 17 2HD2 LEU 17 2.469 2.350 7.032
116 H VAL 18 H VAL 18 3.579 -2.071 3.838
117 HA VAL 18 HA VAL 18 5.893 -3.072 5.195
118 HB VAL 18 HB VAL 18 3.909 -4.355 3.279
119 HG11 VAL 18 1HG1 VAL 18 5.764 -5.738 5.243
120 HG12 VAL 18 2HG1 VAL 18 6.024 -5.689 3.499
121 HG13 VAL 18 3HG1 VAL 18 4.611 -6.512 4.156
122 HG21 VAL 18 3HG2 VAL 18 3.429 -3.290 5.741
123 HG22 VAL 18 1HG2 VAL 18 3.891 -4.932 6.190
124 HG23 VAL 18 2HG2 VAL 18 2.543 -4.664 5.085
125 H LEU 19 H LEU 19 5.159 -2.699 1.718
126 HA LEU 19 HA LEU 19 7.521 -3.948 0.668
127 HB2 LEU 19 2HB LEU 19 5.326 -2.190 -0.240
128 HB3 LEU 19 1HB LEU 19 6.822 -1.979 -1.140
129 HG LEU 19 HG LEU 19 5.432 -3.664 -2.225
130 HD11 LEU 19 1HD1 LEU 19 8.049 -3.928 -1.819
131 HD12 LEU 19 2HD1 LEU 19 7.115 -5.183 -2.630
132 HD13 LEU 19 3HD1 LEU 19 7.523 -5.354 -0.924
133 HD21 LEU 19 3HD2 LEU 19 4.894 -5.785 -1.050
134 HD22 LEU 19 1HD2 LEU 19 4.136 -4.396 -0.275
135 HD23 LEU 19 2HD2 LEU 19 5.577 -5.123 0.434
136 H LEU 20 H LEU 20 6.803 -0.589 1.634
137 HA LEU 20 HA LEU 20 9.265 0.628 0.805
138 HB2 LEU 20 2HB LEU 20 7.056 1.696 1.486
139 HB3 LEU 20 1HB LEU 20 7.504 1.374 3.159
140 HG LEU 20 HG LEU 20 9.629 2.693 1.604
141 HD11 LEU 20 1HD1 LEU 20 8.561 4.880 1.526
142 HD12 LEU 20 2HD1 LEU 20 7.084 4.223 2.229
143 HD13 LEU 20 3HD1 LEU 20 7.583 3.735 0.608
144 HD21 LEU 20 3HD2 LEU 20 9.791 4.025 3.639
145 HD22 LEU 20 1HD2 LEU 20 9.594 2.331 4.089
146 HD23 LEU 20 2HD2 LEU 20 8.222 3.436 4.192
147 H THR 21 H THR 21 8.316 -1.034 3.814
148 HA THR 21 HA THR 21 10.679 -0.388 5.342
149 HB THR 21 HB THR 21 8.766 -2.743 5.529
150 HG1 THR 21 1HG THR 21 7.408 -1.352 6.306
151 HG21 THR 21 3HG2 THR 21 10.940 -1.689 7.277
152 HG22 THR 21 1HG2 THR 21 10.399 -3.349 7.028
153 HG23 THR 21 2HG2 THR 21 9.470 -2.265 8.062
154 H LEU 22 H LEU 22 9.895 -2.967 3.026
155 HA LEU 22 HA LEU 22 12.288 -4.543 3.617
156 HB2 LEU 22 2HB LEU 22 9.874 -5.079 2.527
157 HB3 LEU 22 1HB LEU 22 10.801 -4.834 1.048
158 HG LEU 22 HG LEU 22 11.830 -6.623 3.251
159 HD11 LEU 22 1HD1 LEU 22 10.042 -7.415 0.930
160 HD12 LEU 22 2HD1 LEU 22 9.576 -7.420 2.631
161 HD13 LEU 22 3HD1 LEU 22 10.822 -8.527 2.057
162 HD21 LEU 22 3HD2 LEU 22 12.879 -7.704 1.164
163 HD22 LEU 22 1HD2 LEU 22 13.490 -6.112 1.612
164 HD23 LEU 22 2HD2 LEU 22 12.340 -6.273 0.286
165 H SER 23 H SER 23 11.275 -2.862 0.588
166 HA SER 23 HA SER 23 13.866 -1.548 0.288
167 HB2 SER 23 2HB SER 23 14.324 -2.935 -1.856
168 HB3 SER 23 1HB SER 23 14.666 -3.679 -0.303
169 HG SER 23 HG SER 23 13.009 -4.497 -2.223
170 HA PRO 24 HA PRO 24 10.578 0.434 -2.193
171 HB2 PRO 24 2HB PRO 24 11.085 2.983 -1.362
172 HB3 PRO 24 1HB PRO 24 10.075 1.850 -0.447
173 HG2 PRO 24 2HG PRO 24 12.786 2.805 0.110
174 HG3 PRO 24 1HG PRO 24 11.572 2.143 1.209
175 HD2 PRO 24 2HD PRO 24 13.837 0.819 0.137
176 HD3 PRO 24 1HD PRO 24 12.550 0.122 1.143
177 H HIS 25 H HIS 25 11.661 0.053 -4.205
178 HA HIS 25 HA HIS 25 13.876 1.940 -4.935
179 HB2 HIS 25 2HB HIS 25 13.025 -0.781 -5.957
180 HB3 HIS 25 1HB HIS 25 14.256 0.202 -6.749
181 HD1 HIS 25 1HD HIS 25 16.361 0.888 -5.163
182 HD2 HIS 25 2HD HIS 25 13.970 -2.243 -3.799
183 HE1 HIS 25 1HE HIS 25 17.705 -0.316 -3.387
184 H TYR 26 H TYR 26 10.717 0.679 -6.027
185 HA TYR 26 HA TYR 26 10.665 2.096 -8.543
186 HB2 TYR 26 2HB TYR 26 9.197 0.131 -7.323
187 HB3 TYR 26 1HB TYR 26 8.105 1.508 -7.181
188 HD1 TYR 26 2HD TYR 26 7.426 2.784 -9.237
189 HD2 TYR 26 1HD TYR 26 9.631 -0.899 -9.436
190 HE1 TYR 26 2HE TYR 26 6.815 2.548 -11.626
191 HE2 TYR 26 1HE TYR 26 9.018 -1.135 -11.827
192 HH TYR 26 HH TYR 26 7.984 1.252 -13.703
193 H LYS 27 H LYS 27 9.650 4.080 -9.057
194 HA LYS 27 HA LYS 27 8.914 5.836 -6.735
195 HB2 LYS 27 2HB LYS 27 10.652 6.218 -9.149
196 HB3 LYS 27 1HB LYS 27 9.804 7.616 -8.492
197 HG2 LYS 27 2HG LYS 27 11.412 5.793 -6.704
198 HG3 LYS 27 1HG LYS 27 12.179 7.114 -7.586
199 HD2 LYS 27 2HD LYS 27 10.004 8.386 -6.509
200 HD3 LYS 27 1HD LYS 27 10.379 7.211 -5.249
201 HE2 LYS 27 2HE LYS 27 12.589 8.059 -4.957
202 HE3 LYS 27 1HE LYS 27 12.516 8.981 -6.472
203 HZ1 LYS 27 3HZ LYS 27 10.671 9.430 -4.184
204 HZ2 LYS 27 1HZ LYS 27 10.819 10.376 -5.584
205 HZ3 LYS 27 2HZ LYS 27 12.082 10.340 -4.448
Start of MODEL 23
1 H1 MET 1 1HT MET 1 -8.873 -7.525 -9.490
2 H2 MET 1 2HT MET 1 -9.289 -8.722 -10.619
3 H3 MET 1 3HT MET 1 -7.825 -7.879 -10.778
4 HA MET 1 HA MET 1 -7.740 -10.243 -9.819
5 HB2 MET 1 2HB MET 1 -5.843 -9.559 -8.461
6 HB3 MET 1 1HB MET 1 -5.934 -8.503 -9.864
7 HG2 MET 1 2HG MET 1 -6.994 -6.752 -8.521
8 HG3 MET 1 1HG MET 1 -7.031 -7.819 -7.117
9 HE1 MET 1 2HE MET 1 -3.553 -5.490 -8.897
10 HE2 MET 1 3HE MET 1 -5.270 -5.101 -8.894
11 HE3 MET 1 1HE MET 1 -4.658 -6.435 -9.889
12 H ASP 2 H ASP 2 -7.279 -10.869 -7.276
13 HA ASP 2 HA ASP 2 -9.927 -10.842 -6.027
14 HB2 ASP 2 2HB ASP 2 -9.004 -12.507 -4.617
15 HB3 ASP 2 1HB ASP 2 -8.194 -12.749 -6.160
16 H ARG 3 H ARG 3 -10.234 -10.195 -3.742
17 HA ARG 3 HA ARG 3 -10.251 -8.544 -2.073
18 HB2 ARG 3 2HB ARG 3 -8.096 -9.929 -1.792
19 HB3 ARG 3 1HB ARG 3 -7.260 -8.531 -2.470
20 HG2 ARG 3 2HG ARG 3 -8.391 -7.118 -0.689
21 HG3 ARG 3 1HG ARG 3 -8.926 -8.625 0.058
22 HD2 ARG 3 2HD ARG 3 -6.010 -8.220 -0.610
23 HD3 ARG 3 1HD ARG 3 -6.688 -7.592 0.906
24 HE ARG 3 HE ARG 3 -6.861 -10.475 0.107
25 HH11 ARG 3 1HH1 ARG 3 -8.745 -9.733 2.234
26 HH12 ARG 3 2HH1 ARG 3 -7.833 -9.983 3.684
27 HH21 ARG 3 1HH2 ARG 3 -4.761 -10.020 2.030
28 HH22 ARG 3 2HH2 ARG 3 -5.548 -10.147 3.567
29 H GLU 4 H GLU 4 -10.822 -7.411 -4.554
30 HA GLU 4 HA GLU 4 -9.106 -5.040 -4.973
31 HB2 GLU 4 2HB GLU 4 -10.154 -6.403 -6.805
32 HB3 GLU 4 1HB GLU 4 -11.736 -5.864 -6.243
33 HG2 GLU 4 2HG GLU 4 -10.135 -3.533 -6.495
34 HG3 GLU 4 1HG GLU 4 -9.880 -4.486 -7.958
35 H MET 5 H MET 5 -12.376 -5.806 -3.768
36 HA MET 5 HA MET 5 -12.734 -2.962 -2.923
37 HB2 MET 5 2HB MET 5 -14.347 -4.439 -4.417
38 HB3 MET 5 1HB MET 5 -14.885 -5.049 -2.851
39 HG2 MET 5 2HG MET 5 -15.634 -2.937 -2.143
40 HG3 MET 5 1HG MET 5 -14.654 -2.085 -3.336
41 HE1 MET 5 3HE MET 5 -16.183 -1.195 -5.848
42 HE2 MET 5 1HE MET 5 -15.996 -2.784 -6.608
43 HE3 MET 5 2HE MET 5 -14.749 -2.166 -5.529
44 H ALA 6 H ALA 6 -12.268 -6.216 -1.666
45 HA ALA 6 HA ALA 6 -13.421 -5.871 0.945
46 HB1 ALA 6 1HB ALA 6 -11.165 -7.628 -0.072
47 HB2 ALA 6 2HB ALA 6 -12.877 -8.049 -0.026
48 HB3 ALA 6 3HB ALA 6 -11.980 -7.838 1.477
49 H ALA 7 H ALA 7 -10.008 -5.560 -0.161
50 HA ALA 7 HA ALA 7 -9.464 -3.892 2.278
51 HB1 ALA 7 1HB ALA 7 -7.538 -5.656 0.744
52 HB2 ALA 7 2HB ALA 7 -8.451 -6.211 2.150
53 HB3 ALA 7 3HB ALA 7 -7.277 -4.905 2.318
54 H SER 8 H SER 8 -10.229 -2.148 0.734
55 HA SER 8 HA SER 8 -8.029 -1.253 -1.110
56 HB2 SER 8 2HB SER 8 -9.881 -0.221 -2.415
57 HB3 SER 8 1HB SER 8 -10.063 -1.961 -2.256
58 HG SER 8 HG SER 8 -11.844 -1.625 -1.175
59 H ALA 9 H ALA 9 -8.555 -0.610 1.858
60 HA ALA 9 HA ALA 9 -8.491 2.364 1.558
61 HB1 ALA 9 1HB ALA 9 -10.071 0.822 3.643
62 HB2 ALA 9 2HB ALA 9 -10.775 1.524 2.187
63 HB3 ALA 9 3HB ALA 9 -10.058 2.570 3.413
64 H GLY 10 H GLY 10 -8.273 -0.141 4.136
65 HA2 GLY 10 2HA GLY 10 -5.861 1.262 5.189
66 HA3 GLY 10 1HA GLY 10 -6.870 0.150 6.113
67 H GLY 11 H GLY 11 -7.046 -1.990 4.298
68 HA2 GLY 11 2HA GLY 11 -4.677 -3.455 4.823
69 HA3 GLY 11 1HA GLY 11 -5.905 -3.923 3.650
70 H ALA 12 H ALA 12 -5.727 -1.895 1.763
71 HA ALA 12 HA ALA 12 -3.486 -2.649 0.163
72 HB1 ALA 12 1HB ALA 12 -5.362 -0.267 0.144
73 HB2 ALA 12 2HB ALA 12 -5.475 -1.736 -0.828
74 HB3 ALA 12 3HB ALA 12 -4.187 -0.570 -1.137
75 H VAL 13 H VAL 13 -4.010 0.283 2.156
76 HA VAL 13 HA VAL 13 -1.515 1.577 1.596
77 HB VAL 13 HB VAL 13 -3.363 1.640 4.013
78 HG11 VAL 13 1HG1 VAL 13 -1.173 2.529 4.648
79 HG12 VAL 13 2HG1 VAL 13 -2.320 3.858 4.474
80 HG13 VAL 13 3HG1 VAL 13 -1.138 3.542 3.203
81 HG21 VAL 13 3HG2 VAL 13 -4.259 3.663 2.962
82 HG22 VAL 13 1HG2 VAL 13 -4.365 2.318 1.826
83 HG23 VAL 13 2HG2 VAL 13 -3.092 3.526 1.648
84 H PHE 14 H PHE 14 -2.446 -0.817 4.074
85 HA PHE 14 HA PHE 14 0.004 -0.831 5.568
86 HB2 PHE 14 2HB PHE 14 -2.343 -1.817 6.063
87 HB3 PHE 14 1HB PHE 14 -1.810 -3.205 5.118
88 HD1 PHE 14 2HD PHE 14 0.028 -4.639 5.899
89 HD2 PHE 14 1HD PHE 14 -1.343 -1.299 8.226
90 HE1 PHE 14 2HE PHE 14 1.246 -5.515 7.872
91 HE2 PHE 14 1HE PHE 14 -0.125 -2.175 10.201
92 HZ PHE 14 HZ PHE 14 1.170 -4.283 10.023
93 H VAL 15 H VAL 15 -1.090 -2.806 2.779
94 HA VAL 15 HA VAL 15 1.179 -4.542 2.598
95 HB VAL 15 HB VAL 15 -0.742 -3.459 0.502
96 HG11 VAL 15 1HG1 VAL 15 1.178 -5.806 0.381
97 HG12 VAL 15 2HG1 VAL 15 1.222 -4.359 -0.625
98 HG13 VAL 15 3HG1 VAL 15 -0.105 -5.508 -0.791
99 HG21 VAL 15 3HG2 VAL 15 -0.935 -6.260 1.417
100 HG22 VAL 15 1HG2 VAL 15 -2.210 -5.064 1.178
101 HG23 VAL 15 2HG2 VAL 15 -1.274 -5.069 2.672
102 H GLY 16 H GLY 16 0.537 -1.343 1.124
103 HA2 GLY 16 2HA GLY 16 2.948 -1.173 -0.412
104 HA3 GLY 16 1HA GLY 16 1.975 0.206 0.107
105 H LEU 17 H LEU 17 2.151 -0.216 2.927
106 HA LEU 17 HA LEU 17 4.619 1.109 3.568
107 HB2 LEU 17 2HB LEU 17 2.191 0.202 4.871
108 HB3 LEU 17 1HB LEU 17 3.590 -0.144 5.884
109 HG LEU 17 HG LEU 17 4.102 2.423 4.930
110 HD11 LEU 17 1HD1 LEU 17 1.160 2.086 5.583
111 HD12 LEU 17 2HD1 LEU 17 1.854 2.695 4.079
112 HD13 LEU 17 3HD1 LEU 17 1.992 3.642 5.561
113 HD21 LEU 17 3HD2 LEU 17 2.812 1.502 7.521
114 HD22 LEU 17 1HD2 LEU 17 3.558 3.082 7.277
115 HD23 LEU 17 2HD2 LEU 17 4.542 1.621 7.199
116 H VAL 18 H VAL 18 3.591 -2.311 3.922
117 HA VAL 18 HA VAL 18 5.924 -3.291 5.258
118 HB VAL 18 HB VAL 18 3.923 -4.552 3.349
119 HG11 VAL 18 1HG1 VAL 18 5.662 -6.099 3.184
120 HG12 VAL 18 2HG1 VAL 18 4.796 -6.703 4.597
121 HG13 VAL 18 3HG1 VAL 18 6.265 -5.749 4.804
122 HG21 VAL 18 3HG2 VAL 18 3.119 -3.693 5.575
123 HG22 VAL 18 1HG2 VAL 18 4.247 -4.800 6.357
124 HG23 VAL 18 2HG2 VAL 18 2.922 -5.434 5.383
125 H LEU 19 H LEU 19 5.187 -2.858 1.799
126 HA LEU 19 HA LEU 19 7.618 -4.026 0.760
127 HB2 LEU 19 2HB LEU 19 5.305 -2.422 -0.180
128 HB3 LEU 19 1HB LEU 19 6.773 -2.218 -1.125
129 HG LEU 19 HG LEU 19 5.369 -4.016 -2.042
130 HD11 LEU 19 1HD1 LEU 19 7.804 -5.252 -0.746
131 HD12 LEU 19 2HD1 LEU 19 7.908 -4.121 -2.093
132 HD13 LEU 19 3HD1 LEU 19 7.077 -5.662 -2.299
133 HD21 LEU 19 3HD2 LEU 19 4.239 -4.762 -0.020
134 HD22 LEU 19 1HD2 LEU 19 5.768 -5.283 0.688
135 HD23 LEU 19 2HD2 LEU 19 5.111 -6.127 -0.713
136 H LEU 20 H LEU 20 6.629 -0.660 1.473
137 HA LEU 20 HA LEU 20 8.995 0.681 0.625
138 HB2 LEU 20 2HB LEU 20 6.536 1.325 1.723
139 HB3 LEU 20 1HB LEU 20 7.656 1.786 3.003
140 HG LEU 20 HG LEU 20 7.810 2.680 0.106
141 HD11 LEU 20 1HD1 LEU 20 7.257 4.901 1.042
142 HD12 LEU 20 2HD1 LEU 20 7.095 4.183 2.644
143 HD13 LEU 20 3HD1 LEU 20 5.972 3.736 1.359
144 HD21 LEU 20 3HD2 LEU 20 9.565 3.167 2.523
145 HD22 LEU 20 1HD2 LEU 20 9.533 4.292 1.166
146 HD23 LEU 20 2HD2 LEU 20 10.049 2.623 0.917
147 H THR 21 H THR 21 8.161 -0.767 3.786
148 HA THR 21 HA THR 21 10.518 0.100 5.201
149 HB THR 21 HB THR 21 8.664 -2.280 5.597
150 HG1 THR 21 1HG THR 21 7.423 -0.545 5.861
151 HG21 THR 21 3HG2 THR 21 10.817 -2.480 6.847
152 HG22 THR 21 1HG2 THR 21 9.423 -2.289 7.910
153 HG23 THR 21 2HG2 THR 21 10.488 -0.918 7.600
154 H LEU 22 H LEU 22 9.785 -2.802 3.253
155 HA LEU 22 HA LEU 22 12.134 -4.320 3.833
156 HB2 LEU 22 2HB LEU 22 9.924 -4.293 1.923
157 HB3 LEU 22 1HB LEU 22 11.420 -4.835 1.170
158 HG LEU 22 HG LEU 22 10.187 -6.740 2.095
159 HD11 LEU 22 1HD1 LEU 22 12.575 -6.215 3.873
160 HD12 LEU 22 2HD1 LEU 22 12.729 -6.629 2.167
161 HD13 LEU 22 3HD1 LEU 22 11.981 -7.768 3.286
162 HD21 LEU 22 3HD2 LEU 22 8.902 -5.922 3.878
163 HD22 LEU 22 1HD2 LEU 22 10.262 -5.061 4.597
164 HD23 LEU 22 2HD2 LEU 22 10.169 -6.817 4.714
165 H SER 23 H SER 23 11.514 -1.833 1.333
166 HA SER 23 HA SER 23 14.198 -2.047 0.192
167 HB2 SER 23 2HB SER 23 13.321 0.256 -0.809
168 HB3 SER 23 1HB SER 23 12.664 -1.272 -1.364
169 HG SER 23 HG SER 23 11.561 0.305 0.746
170 HA PRO 24 HA PRO 24 16.258 0.658 3.005
171 HB2 PRO 24 2HB PRO 24 18.167 1.761 1.387
172 HB3 PRO 24 1HB PRO 24 18.224 0.080 1.955
173 HG2 PRO 24 2HG PRO 24 17.403 1.151 -0.686
174 HG3 PRO 24 1HG PRO 24 18.278 -0.335 -0.288
175 HD2 PRO 24 2HD PRO 24 15.622 -0.244 -0.933
176 HD3 PRO 24 1HD PRO 24 16.371 -1.524 0.048
177 H HIS 25 H HIS 25 14.258 2.034 3.133
178 HA HIS 25 HA HIS 25 14.111 4.467 1.472
179 HB2 HIS 25 2HB HIS 25 12.145 3.118 2.256
180 HB3 HIS 25 1HB HIS 25 12.517 3.612 3.905
181 HD1 HIS 25 1HD HIS 25 11.173 5.584 4.629
182 HD2 HIS 25 2HD HIS 25 11.948 5.689 0.532
183 HE1 HIS 25 1HE HIS 25 10.057 7.671 3.741
184 H TYR 26 H TYR 26 15.222 3.589 4.725
185 HA TYR 26 HA TYR 26 16.322 4.808 6.389
186 HB2 TYR 26 2HB TYR 26 16.845 6.574 3.972
187 HB3 TYR 26 1HB TYR 26 17.638 6.781 5.529
188 HD1 TYR 26 1HD TYR 26 18.823 4.658 6.518
189 HD2 TYR 26 2HD TYR 26 17.782 5.137 2.377
190 HE1 TYR 26 1HE TYR 26 20.490 2.931 5.898
191 HE2 TYR 26 2HE TYR 26 19.449 3.411 1.759
192 HH TYR 26 HH TYR 26 20.539 1.265 3.332
193 H LYS 27 H LYS 27 14.160 5.156 7.322
194 HA LYS 27 HA LYS 27 12.632 6.496 8.451
195 HB2 LYS 27 2HB LYS 27 14.917 7.933 8.378
196 HB3 LYS 27 1HB LYS 27 13.877 9.022 7.464
197 HG2 LYS 27 2HG LYS 27 13.079 7.857 10.143
198 HG3 LYS 27 1HG LYS 27 13.918 9.398 9.984
199 HD2 LYS 27 2HD LYS 27 11.320 8.787 8.552
200 HD3 LYS 27 1HD LYS 27 11.384 9.548 10.139
201 HE2 LYS 27 2HE LYS 27 11.784 11.560 9.190
202 HE3 LYS 27 1HE LYS 27 13.218 10.914 8.369
203 HZ1 LYS 27 3HZ LYS 27 10.413 10.569 7.433
204 HZ2 LYS 27 1HZ LYS 27 11.801 9.977 6.655
205 HZ3 LYS 27 2HZ LYS 27 11.541 11.654 6.775
Start of MODEL 24
1 H1 MET 1 1HT MET 1 -14.498 -4.006 -9.128
2 H2 MET 1 2HT MET 1 -16.194 -3.934 -9.202
3 H3 MET 1 3HT MET 1 -15.415 -5.405 -8.863
4 HA MET 1 HA MET 1 -14.491 -4.338 -6.793
5 HB2 MET 1 2HB MET 1 -15.202 -2.064 -8.009
6 HB3 MET 1 1HB MET 1 -16.703 -2.341 -7.128
7 HG2 MET 1 2HG MET 1 -14.927 -2.810 -5.141
8 HG3 MET 1 1HG MET 1 -14.001 -1.654 -6.100
9 HE1 MET 1 2HE MET 1 -16.783 -1.965 -3.355
10 HE2 MET 1 3HE MET 1 -17.423 -2.561 -4.883
11 HE3 MET 1 1HE MET 1 -18.095 -1.098 -4.144
12 H ASP 2 H ASP 2 -15.328 -6.117 -5.730
13 HA ASP 2 HA ASP 2 -18.295 -6.206 -5.282
14 HB2 ASP 2 2HB ASP 2 -16.375 -8.396 -6.097
15 HB3 ASP 2 1HB ASP 2 -18.002 -8.722 -5.503
16 H ARG 3 H ARG 3 -15.959 -5.294 -3.558
17 HA ARG 3 HA ARG 3 -15.206 -5.463 -1.354
18 HB2 ARG 3 2HB ARG 3 -18.020 -5.910 -1.536
19 HB3 ARG 3 1HB ARG 3 -17.397 -6.931 -0.245
20 HG2 ARG 3 2HG ARG 3 -17.739 -4.966 0.925
21 HG3 ARG 3 1HG ARG 3 -16.067 -4.736 0.417
22 HD2 ARG 3 2HD ARG 3 -17.896 -3.824 -1.658
23 HD3 ARG 3 1HD ARG 3 -18.218 -3.003 -0.119
24 HE ARG 3 HE ARG 3 -15.648 -2.925 -1.602
25 HH11 ARG 3 1HH1 ARG 3 -17.347 -0.575 -0.540
26 HH12 ARG 3 2HH1 ARG 3 -16.367 -0.041 0.782
27 HH21 ARG 3 1HH2 ARG 3 -14.436 -2.945 0.854
28 HH22 ARG 3 2HH2 ARG 3 -14.703 -1.396 1.578
29 H GLU 4 H GLU 4 -13.824 -7.326 -2.700
30 HA GLU 4 HA GLU 4 -13.814 -9.650 -0.830
31 HB2 GLU 4 2HB GLU 4 -13.357 -11.116 -2.862
32 HB3 GLU 4 1HB GLU 4 -14.995 -10.497 -2.706
33 HG2 GLU 4 2HG GLU 4 -14.489 -8.728 -4.351
34 HG3 GLU 4 1HG GLU 4 -12.833 -9.321 -4.486
35 H MET 5 H MET 5 -11.948 -7.968 -3.408
36 HA MET 5 HA MET 5 -9.437 -8.990 -2.171
37 HB2 MET 5 2HB MET 5 -8.423 -8.429 -4.278
38 HB3 MET 5 1HB MET 5 -9.936 -9.265 -4.613
39 HG2 MET 5 2HG MET 5 -10.491 -6.456 -4.425
40 HG3 MET 5 1HG MET 5 -9.115 -6.677 -5.501
41 HE1 MET 5 3HE MET 5 -9.024 -7.902 -7.572
42 HE2 MET 5 1HE MET 5 -10.302 -8.883 -8.313
43 HE3 MET 5 2HE MET 5 -9.486 -9.444 -6.858
44 H ALA 6 H ALA 6 -11.338 -6.108 -2.152
45 HA ALA 6 HA ALA 6 -9.266 -4.115 -2.040
46 HB1 ALA 6 1HB ALA 6 -11.994 -4.069 -0.737
47 HB2 ALA 6 2HB ALA 6 -11.738 -3.814 -2.464
48 HB3 ALA 6 3HB ALA 6 -11.049 -2.688 -1.294
49 H ALA 7 H ALA 7 -10.595 -6.281 0.439
50 HA ALA 7 HA ALA 7 -9.736 -4.856 2.767
51 HB1 ALA 7 1HB ALA 7 -9.884 -7.159 3.802
52 HB2 ALA 7 2HB ALA 7 -10.163 -7.800 2.183
53 HB3 ALA 7 3HB ALA 7 -11.318 -6.673 2.898
54 H SER 8 H SER 8 -8.119 -7.735 1.299
55 HA SER 8 HA SER 8 -5.859 -8.397 1.321
56 HB2 SER 8 2HB SER 8 -5.809 -5.388 1.077
57 HB3 SER 8 1HB SER 8 -4.311 -6.307 1.097
58 HG SER 8 HG SER 8 -6.368 -6.216 -0.793
59 H ALA 9 H ALA 9 -3.587 -7.324 2.589
60 HA ALA 9 HA ALA 9 -4.246 -7.821 5.435
61 HB1 ALA 9 1HB ALA 9 -2.392 -8.999 4.253
62 HB2 ALA 9 2HB ALA 9 -1.805 -8.067 5.631
63 HB3 ALA 9 3HB ALA 9 -1.598 -7.445 3.992
64 H GLY 10 H GLY 10 -5.280 -5.778 5.956
65 HA2 GLY 10 2HA GLY 10 -4.739 -3.772 7.271
66 HA3 GLY 10 1HA GLY 10 -3.358 -3.511 6.225
67 H GLY 11 H GLY 11 -5.533 -4.265 3.955
68 HA2 GLY 11 2HA GLY 11 -7.362 -3.009 2.970
69 HA3 GLY 11 1HA GLY 11 -6.908 -1.631 3.967
70 H ALA 12 H ALA 12 -4.613 -3.541 2.076
71 HA ALA 12 HA ALA 12 -3.338 -3.076 0.178
72 HB1 ALA 12 1HB ALA 12 -4.303 -1.801 -1.485
73 HB2 ALA 12 2HB ALA 12 -4.838 -0.548 -0.366
74 HB3 ALA 12 3HB ALA 12 -5.724 -2.069 -0.475
75 H VAL 13 H VAL 13 -4.177 -0.151 2.045
76 HA VAL 13 HA VAL 13 -1.869 1.431 1.569
77 HB VAL 13 HB VAL 13 -3.554 1.120 4.084
78 HG11 VAL 13 1HG1 VAL 13 -2.902 3.450 4.549
79 HG12 VAL 13 2HG1 VAL 13 -1.890 3.464 3.105
80 HG13 VAL 13 3HG1 VAL 13 -1.480 2.410 4.459
81 HG21 VAL 13 3HG2 VAL 13 -3.950 2.621 1.502
82 HG22 VAL 13 1HG2 VAL 13 -4.633 3.256 3.000
83 HG23 VAL 13 2HG2 VAL 13 -5.112 1.663 2.418
84 H PHE 14 H PHE 14 -2.528 -0.914 4.164
85 HA PHE 14 HA PHE 14 -0.052 -0.781 5.560
86 HB2 PHE 14 2HB PHE 14 -2.254 -1.794 6.244
87 HB3 PHE 14 1HB PHE 14 -1.912 -3.135 5.158
88 HD1 PHE 14 2HD PHE 14 -0.061 -4.707 5.628
89 HD2 PHE 14 1HD PHE 14 -1.043 -1.523 8.338
90 HE1 PHE 14 2HE PHE 14 1.290 -5.798 7.396
91 HE2 PHE 14 1HE PHE 14 0.308 -2.615 10.107
92 HZ PHE 14 HZ PHE 14 1.475 -4.753 9.638
93 H VAL 15 H VAL 15 -1.050 -2.818 2.789
94 HA VAL 15 HA VAL 15 1.267 -4.500 2.675
95 HB VAL 15 HB VAL 15 -0.674 -3.532 0.544
96 HG11 VAL 15 1HG1 VAL 15 0.041 -5.650 -0.646
97 HG12 VAL 15 2HG1 VAL 15 1.379 -5.762 0.495
98 HG13 VAL 15 3HG1 VAL 15 1.270 -4.385 -0.602
99 HG21 VAL 15 3HG2 VAL 15 -0.574 -5.956 2.360
100 HG22 VAL 15 1HG2 VAL 15 -1.598 -5.885 0.926
101 HG23 VAL 15 2HG2 VAL 15 -1.850 -4.744 2.247
102 H GLY 16 H GLY 16 0.526 -1.386 1.059
103 HA2 GLY 16 2HA GLY 16 2.963 -1.182 -0.429
104 HA3 GLY 16 1HA GLY 16 1.924 0.175 0.006
105 H LEU 17 H LEU 17 2.081 -0.134 2.856
106 HA LEU 17 HA LEU 17 4.466 1.348 3.460
107 HB2 LEU 17 2HB LEU 17 2.194 1.247 4.659
108 HB3 LEU 17 1HB LEU 17 2.776 -0.240 5.405
109 HG LEU 17 HG LEU 17 4.722 1.957 5.546
110 HD11 LEU 17 1HD1 LEU 17 2.544 3.208 5.734
111 HD12 LEU 17 2HD1 LEU 17 3.547 3.295 7.181
112 HD13 LEU 17 3HD1 LEU 17 2.154 2.215 7.140
113 HD21 LEU 17 3HD2 LEU 17 3.432 0.420 7.808
114 HD22 LEU 17 1HD2 LEU 17 5.060 1.096 7.730
115 HD23 LEU 17 2HD2 LEU 17 4.647 -0.323 6.767
116 H VAL 18 H VAL 18 3.599 -2.094 3.991
117 HA VAL 18 HA VAL 18 6.018 -2.875 5.330
118 HB VAL 18 HB VAL 18 3.983 -4.352 3.624
119 HG11 VAL 18 1HG1 VAL 18 5.753 -5.860 3.492
120 HG12 VAL 18 2HG1 VAL 18 5.010 -6.360 5.012
121 HG13 VAL 18 3HG1 VAL 18 6.449 -5.339 5.027
122 HG21 VAL 18 3HG2 VAL 18 3.062 -5.053 5.733
123 HG22 VAL 18 1HG2 VAL 18 3.315 -3.312 5.849
124 HG23 VAL 18 2HG2 VAL 18 4.450 -4.420 6.618
125 H LEU 19 H LEU 19 5.131 -2.677 1.889
126 HA LEU 19 HA LEU 19 7.462 -3.899 0.747
127 HB2 LEU 19 2HB LEU 19 5.304 -1.997 -0.090
128 HB3 LEU 19 1HB LEU 19 6.710 -2.147 -1.138
129 HG LEU 19 HG LEU 19 5.276 -4.601 -0.131
130 HD11 LEU 19 1HD1 LEU 19 3.641 -3.039 -1.254
131 HD12 LEU 19 2HD1 LEU 19 3.849 -4.582 -2.082
132 HD13 LEU 19 3HD1 LEU 19 4.638 -3.133 -2.706
133 HD21 LEU 19 3HD2 LEU 19 6.890 -3.997 -2.634
134 HD22 LEU 19 1HD2 LEU 19 6.247 -5.574 -2.175
135 HD23 LEU 19 2HD2 LEU 19 7.508 -4.821 -1.202
136 H LEU 20 H LEU 20 6.717 -0.549 1.683
137 HA LEU 20 HA LEU 20 9.086 0.733 0.715
138 HB2 LEU 20 2HB LEU 20 6.812 1.630 1.609
139 HB3 LEU 20 1HB LEU 20 7.570 1.532 3.197
140 HG LEU 20 HG LEU 20 9.542 2.809 1.898
141 HD11 LEU 20 1HD1 LEU 20 6.997 3.420 0.387
142 HD12 LEU 20 2HD1 LEU 20 8.569 2.953 -0.265
143 HD13 LEU 20 3HD1 LEU 20 8.347 4.555 0.439
144 HD21 LEU 20 3HD2 LEU 20 8.423 3.619 3.926
145 HD22 LEU 20 1HD2 LEU 20 7.009 4.088 2.983
146 HD23 LEU 20 2HD2 LEU 20 8.541 4.929 2.752
147 H THR 21 H THR 21 8.512 -1.199 3.620
148 HA THR 21 HA THR 21 11.147 -0.392 4.768
149 HB THR 21 HB THR 21 8.985 -2.130 5.982
150 HG1 THR 21 1HG THR 21 7.845 -0.369 5.924
151 HG21 THR 21 3HG2 THR 21 10.077 -0.797 8.031
152 HG22 THR 21 1HG2 THR 21 11.460 -0.776 6.937
153 HG23 THR 21 2HG2 THR 21 10.753 -2.313 7.434
154 H LEU 22 H LEU 22 9.776 -2.973 2.898
155 HA LEU 22 HA LEU 22 11.993 -4.796 3.772
156 HB2 LEU 22 2HB LEU 22 9.207 -5.153 3.754
157 HB3 LEU 22 1HB LEU 22 9.800 -6.093 2.385
158 HG LEU 22 HG LEU 22 11.614 -6.934 4.076
159 HD11 LEU 22 1HD1 LEU 22 10.790 -7.013 6.401
160 HD12 LEU 22 2HD1 LEU 22 9.395 -6.038 5.943
161 HD13 LEU 22 3HD1 LEU 22 11.016 -5.346 5.871
162 HD21 LEU 22 3HD2 LEU 22 9.980 -8.702 4.874
163 HD22 LEU 22 1HD2 LEU 22 9.979 -8.437 3.131
164 HD23 LEU 22 2HD2 LEU 22 8.694 -7.753 4.128
165 H SER 23 H SER 23 10.054 -3.815 0.886
166 HA SER 23 HA SER 23 12.012 -5.130 -0.896
167 HB2 SER 23 2HB SER 23 9.508 -5.166 -1.205
168 HB3 SER 23 1HB SER 23 9.589 -3.446 -1.572
169 HG SER 23 HG SER 23 9.933 -5.420 -3.234
170 HA PRO 24 HA PRO 24 14.155 -1.158 -1.112
171 HB2 PRO 24 2HB PRO 24 16.427 -2.126 -2.275
172 HB3 PRO 24 1HB PRO 24 16.097 -2.267 -0.537
173 HG2 PRO 24 2HG PRO 24 15.903 -4.308 -2.663
174 HG3 PRO 24 1HG PRO 24 16.328 -4.485 -0.956
175 HD2 PRO 24 2HD PRO 24 13.872 -5.110 -2.066
176 HD3 PRO 24 1HD PRO 24 14.185 -4.835 -0.340
177 H HIS 25 H HIS 25 12.709 -0.300 -2.733
178 HA HIS 25 HA HIS 25 12.942 -1.129 -5.549
179 HB2 HIS 25 2HB HIS 25 11.317 0.788 -3.907
180 HB3 HIS 25 1HB HIS 25 11.391 1.034 -5.651
181 HD1 HIS 25 1HD HIS 25 9.743 -0.272 -6.971
182 HD2 HIS 25 2HD HIS 25 10.514 -2.080 -3.298
183 HE1 HIS 25 1HE HIS 25 8.204 -2.279 -6.825
184 H TYR 26 H TYR 26 13.646 1.852 -3.676
185 HA TYR 26 HA TYR 26 15.645 2.616 -5.783
186 HB2 TYR 26 2HB TYR 26 13.569 4.231 -4.277
187 HB3 TYR 26 1HB TYR 26 14.943 4.998 -5.072
188 HD1 TYR 26 1HD TYR 26 15.357 4.295 -7.579
189 HD2 TYR 26 2HD TYR 26 11.619 3.828 -5.514
190 HE1 TYR 26 1HE TYR 26 14.171 4.179 -9.751
191 HE2 TYR 26 2HE TYR 26 10.434 3.712 -7.687
192 HH TYR 26 HH TYR 26 11.498 2.949 -10.321
193 H LYS 27 H LYS 27 16.943 1.253 -4.125
194 HA LYS 27 HA LYS 27 18.013 3.067 -1.990
195 HB2 LYS 27 2HB LYS 27 16.571 0.631 -1.725
196 HB3 LYS 27 1HB LYS 27 18.244 0.280 -1.296
197 HG2 LYS 27 2HG LYS 27 17.171 0.992 0.720
198 HG3 LYS 27 1HG LYS 27 18.179 2.340 0.192
199 HD2 LYS 27 2HD LYS 27 16.382 3.656 -0.368
200 HD3 LYS 27 1HD LYS 27 15.379 2.282 -0.827
201 HE2 LYS 27 2HE LYS 27 16.095 2.400 2.052
202 HE3 LYS 27 1HE LYS 27 15.010 3.681 1.482
203 HZ1 LYS 27 3HZ LYS 27 14.634 0.748 1.136
204 HZ2 LYS 27 1HZ LYS 27 13.672 1.922 0.376
205 HZ3 LYS 27 2HZ LYS 27 13.682 1.801 2.070
Start of MODEL 25
1 H1 MET 1 1HT MET 1 -4.624 -23.401 -3.553
2 H2 MET 1 2HT MET 1 -3.793 -23.484 -5.031
3 H3 MET 1 3HT MET 1 -5.469 -23.195 -5.007
4 HA MET 1 HA MET 1 -3.294 -21.360 -4.130
5 HB2 MET 1 2HB MET 1 -3.970 -21.677 -6.572
6 HB3 MET 1 1HB MET 1 -5.545 -21.015 -6.128
7 HG2 MET 1 2HG MET 1 -4.366 -18.984 -5.233
8 HG3 MET 1 1HG MET 1 -2.859 -19.633 -5.878
9 HE1 MET 1 2HE MET 1 -5.978 -17.310 -6.955
10 HE2 MET 1 3HE MET 1 -6.403 -18.929 -6.408
11 HE3 MET 1 1HE MET 1 -6.640 -18.469 -8.103
12 H ASP 2 H ASP 2 -3.874 -19.740 -2.688
13 HA ASP 2 HA ASP 2 -6.760 -19.556 -1.869
14 HB2 ASP 2 2HB ASP 2 -4.646 -20.615 -0.440
15 HB3 ASP 2 1HB ASP 2 -4.725 -18.960 0.166
16 H ARG 3 H ARG 3 -5.253 -17.847 -3.793
17 HA ARG 3 HA ARG 3 -4.603 -15.336 -2.440
18 HB2 ARG 3 2HB ARG 3 -4.930 -16.237 -5.313
19 HB3 ARG 3 1HB ARG 3 -4.550 -14.566 -4.895
20 HG2 ARG 3 2HG ARG 3 -2.445 -15.104 -4.056
21 HG3 ARG 3 1HG ARG 3 -2.896 -16.774 -3.711
22 HD2 ARG 3 2HD ARG 3 -3.207 -16.819 -6.388
23 HD3 ARG 3 1HD ARG 3 -1.960 -15.563 -6.272
24 HE ARG 3 HE ARG 3 -1.432 -17.942 -4.626
25 HH11 ARG 3 1HH1 ARG 3 -1.597 -18.740 -7.560
26 HH12 ARG 3 2HH1 ARG 3 0.053 -18.572 -8.053
27 HH21 ARG 3 1HH2 ARG 3 0.952 -16.665 -5.279
28 HH22 ARG 3 2HH2 ARG 3 1.508 -17.388 -6.750
29 H GLU 4 H GLU 4 -6.555 -14.832 -1.290
30 HA GLU 4 HA GLU 4 -8.743 -13.735 -3.014
31 HB2 GLU 4 2HB GLU 4 -9.195 -16.057 -2.091
32 HB3 GLU 4 1HB GLU 4 -9.151 -15.349 -0.478
33 HG2 GLU 4 2HG GLU 4 -10.868 -13.636 -1.707
34 HG3 GLU 4 1HG GLU 4 -11.223 -15.124 -2.584
35 H MET 5 H MET 5 -7.964 -14.000 0.499
36 HA MET 5 HA MET 5 -8.332 -11.028 0.715
37 HB2 MET 5 2HB MET 5 -9.213 -13.392 2.304
38 HB3 MET 5 1HB MET 5 -8.787 -11.939 3.209
39 HG2 MET 5 2HG MET 5 -10.425 -11.344 0.858
40 HG3 MET 5 1HG MET 5 -11.234 -12.427 1.990
41 HE1 MET 5 3HE MET 5 -10.621 -9.217 0.849
42 HE2 MET 5 1HE MET 5 -11.143 -8.089 2.113
43 HE3 MET 5 2HE MET 5 -12.283 -9.244 1.430
44 H ALA 6 H ALA 6 -5.780 -12.692 0.226
45 HA ALA 6 HA ALA 6 -4.243 -12.161 2.722
46 HB1 ALA 6 1HB ALA 6 -4.150 -14.346 1.428
47 HB2 ALA 6 2HB ALA 6 -2.583 -13.585 1.702
48 HB3 ALA 6 3HB ALA 6 -3.362 -13.456 0.124
49 H ALA 7 H ALA 7 -4.244 -11.343 -0.761
50 HA ALA 7 HA ALA 7 -2.015 -9.483 -0.603
51 HB1 ALA 7 1HB ALA 7 -2.605 -10.637 -2.665
52 HB2 ALA 7 2HB ALA 7 -2.836 -8.906 -2.908
53 HB3 ALA 7 3HB ALA 7 -4.229 -9.949 -2.627
54 H SER 8 H SER 8 -5.565 -9.182 -0.444
55 HA SER 8 HA SER 8 -5.365 -6.223 -0.148
56 HB2 SER 8 2HB SER 8 -7.671 -8.163 -0.515
57 HB3 SER 8 1HB SER 8 -7.859 -6.418 -0.386
58 HG SER 8 HG SER 8 -7.662 -6.744 -2.527
59 H ALA 9 H ALA 9 -4.275 -7.589 2.049
60 HA ALA 9 HA ALA 9 -6.393 -7.645 4.149
61 HB1 ALA 9 1HB ALA 9 -3.480 -8.428 4.362
62 HB2 ALA 9 2HB ALA 9 -4.712 -9.519 3.728
63 HB3 ALA 9 3HB ALA 9 -4.817 -8.942 5.391
64 H GLY 10 H GLY 10 -3.567 -5.799 3.124
65 HA2 GLY 10 2HA GLY 10 -3.461 -4.283 5.656
66 HA3 GLY 10 1HA GLY 10 -2.387 -4.079 4.276
67 H GLY 11 H GLY 11 -5.922 -4.065 3.970
68 HA2 GLY 11 2HA GLY 11 -7.351 -2.425 3.137
69 HA3 GLY 11 1HA GLY 11 -6.483 -1.344 4.220
70 H ALA 12 H ALA 12 -4.862 -2.967 1.531
71 HA ALA 12 HA ALA 12 -3.794 -2.128 -0.376
72 HB1 ALA 12 1HB ALA 12 -6.323 -1.554 -0.687
73 HB2 ALA 12 2HB ALA 12 -5.145 -0.777 -1.743
74 HB3 ALA 12 3HB ALA 12 -5.815 0.105 -0.373
75 H VAL 13 H VAL 13 -3.400 -0.800 2.482
76 HA VAL 13 HA VAL 13 -1.727 1.497 1.524
77 HB VAL 13 HB VAL 13 -3.492 1.191 3.987
78 HG11 VAL 13 1HG1 VAL 13 -1.562 2.350 4.766
79 HG12 VAL 13 2HG1 VAL 13 -2.734 3.616 4.399
80 HG13 VAL 13 3HG1 VAL 13 -1.420 3.278 3.272
81 HG21 VAL 13 3HG2 VAL 13 -3.554 3.046 1.586
82 HG22 VAL 13 1HG2 VAL 13 -4.527 3.303 3.033
83 HG23 VAL 13 2HG2 VAL 13 -4.775 1.861 2.051
84 H PHE 14 H PHE 14 -2.353 -0.590 4.360
85 HA PHE 14 HA PHE 14 0.218 -0.572 5.541
86 HB2 PHE 14 2HB PHE 14 -2.066 -1.458 6.349
87 HB3 PHE 14 1HB PHE 14 -1.690 -2.919 5.446
88 HD1 PHE 14 1HD PHE 14 -0.747 -0.825 8.333
89 HD2 PHE 14 2HD PHE 14 0.090 -4.432 6.153
90 HE1 PHE 14 1HE PHE 14 0.636 -1.646 10.220
91 HE2 PHE 14 2HE PHE 14 1.473 -5.251 8.040
92 HZ PHE 14 HZ PHE 14 1.747 -3.859 10.075
93 H VAL 15 H VAL 15 -1.098 -2.609 2.914
94 HA VAL 15 HA VAL 15 1.055 -4.482 2.690
95 HB VAL 15 HB VAL 15 -0.946 -3.331 0.702
96 HG11 VAL 15 1HG1 VAL 15 -0.387 -5.412 -0.644
97 HG12 VAL 15 2HG1 VAL 15 1.034 -5.606 0.381
98 HG13 VAL 15 3HG1 VAL 15 0.870 -4.175 -0.637
99 HG21 VAL 15 3HG2 VAL 15 -2.342 -5.019 1.360
100 HG22 VAL 15 1HG2 VAL 15 -1.383 -4.965 2.839
101 HG23 VAL 15 2HG2 VAL 15 -1.021 -6.162 1.597
102 H GLY 16 H GLY 16 0.522 -1.288 1.159
103 HA2 GLY 16 2HA GLY 16 2.926 -1.265 -0.411
104 HA3 GLY 16 1HA GLY 16 1.992 0.161 0.050
105 H LEU 17 H LEU 17 2.167 -0.234 2.907
106 HA LEU 17 HA LEU 17 4.640 1.102 3.509
107 HB2 LEU 17 2HB LEU 17 2.306 -0.037 4.948
108 HB3 LEU 17 1HB LEU 17 3.781 0.098 5.901
109 HG LEU 17 HG LEU 17 3.947 2.506 5.061
110 HD11 LEU 17 1HD1 LEU 17 1.047 1.978 4.346
111 HD12 LEU 17 2HD1 LEU 17 2.345 2.228 3.178
112 HD13 LEU 17 3HD1 LEU 17 1.873 3.534 4.264
113 HD21 LEU 17 3HD2 LEU 17 3.179 1.879 7.344
114 HD22 LEU 17 1HD2 LEU 17 1.527 1.760 6.738
115 HD23 LEU 17 2HD2 LEU 17 2.354 3.317 6.745
116 H VAL 18 H VAL 18 3.640 -2.324 3.807
117 HA VAL 18 HA VAL 18 5.979 -3.311 5.145
118 HB VAL 18 HB VAL 18 3.936 -4.517 3.245
119 HG11 VAL 18 1HG1 VAL 18 4.842 -6.726 4.340
120 HG12 VAL 18 2HG1 VAL 18 6.318 -5.790 4.570
121 HG13 VAL 18 3HG1 VAL 18 5.680 -6.045 2.946
122 HG21 VAL 18 3HG2 VAL 18 4.378 -4.836 6.231
123 HG22 VAL 18 1HG2 VAL 18 3.049 -5.519 5.296
124 HG23 VAL 18 2HG2 VAL 18 3.176 -3.773 5.500
125 H LEU 19 H LEU 19 5.186 -2.855 1.707
126 HA LEU 19 HA LEU 19 7.602 -3.949 0.574
127 HB2 LEU 19 2HB LEU 19 5.257 -3.301 -0.424
128 HB3 LEU 19 1HB LEU 19 5.980 -1.705 -0.620
129 HG LEU 19 HG LEU 19 7.954 -3.349 -1.616
130 HD11 LEU 19 1HD1 LEU 19 6.754 -5.372 -1.667
131 HD12 LEU 19 2HD1 LEU 19 6.537 -4.743 -3.299
132 HD13 LEU 19 3HD1 LEU 19 5.245 -4.577 -2.111
133 HD21 LEU 19 3HD2 LEU 19 5.663 -2.239 -3.263
134 HD22 LEU 19 1HD2 LEU 19 7.344 -2.433 -3.754
135 HD23 LEU 19 2HD2 LEU 19 6.912 -1.218 -2.552
136 H LEU 20 H LEU 20 6.636 -0.708 1.674
137 HA LEU 20 HA LEU 20 8.958 0.742 0.767
138 HB2 LEU 20 2HB LEU 20 6.481 1.235 2.012
139 HB3 LEU 20 1HB LEU 20 7.687 1.797 3.165
140 HG LEU 20 HG LEU 20 7.922 2.536 0.256
141 HD11 LEU 20 1HD1 LEU 20 5.595 3.081 1.231
142 HD12 LEU 20 2HD1 LEU 20 6.505 4.413 0.520
143 HD13 LEU 20 3HD1 LEU 20 6.440 4.228 2.271
144 HD21 LEU 20 3HD2 LEU 20 9.194 4.383 1.137
145 HD22 LEU 20 1HD2 LEU 20 9.758 2.936 1.973
146 HD23 LEU 20 2HD2 LEU 20 8.654 4.048 2.782
147 H THR 21 H THR 21 8.132 -0.848 3.864
148 HA THR 21 HA THR 21 10.455 -0.011 5.341
149 HB THR 21 HB THR 21 8.619 -2.418 5.592
150 HG1 THR 21 1HG THR 21 7.400 -0.697 5.990
151 HG21 THR 21 3HG2 THR 21 10.536 -2.963 6.883
152 HG22 THR 21 1HG2 THR 21 9.385 -2.283 8.033
153 HG23 THR 21 2HG2 THR 21 10.727 -1.302 7.444
154 H LEU 22 H LEU 22 9.988 -2.571 2.958
155 HA LEU 22 HA LEU 22 12.160 -4.295 3.631
156 HB2 LEU 22 2HB LEU 22 10.251 -4.685 2.021
157 HB3 LEU 22 1HB LEU 22 11.074 -3.626 0.878
158 HG LEU 22 HG LEU 22 12.908 -5.622 1.923
159 HD11 LEU 22 1HD1 LEU 22 11.878 -7.601 0.907
160 HD12 LEU 22 2HD1 LEU 22 10.450 -6.659 0.476
161 HD13 LEU 22 3HD1 LEU 22 10.832 -6.958 2.172
162 HD21 LEU 22 3HD2 LEU 22 13.335 -5.973 -0.447
163 HD22 LEU 22 1HD2 LEU 22 13.130 -4.242 -0.173
164 HD23 LEU 22 2HD2 LEU 22 11.817 -5.185 -0.878
165 H SER 23 H SER 23 12.096 -1.799 1.039
166 HA SER 23 HA SER 23 13.768 -0.447 0.133
167 HB2 SER 23 2HB SER 23 13.986 -0.338 2.877
168 HB3 SER 23 1HB SER 23 15.623 -0.768 2.395
169 HG SER 23 HG SER 23 15.807 1.107 1.353
170 HA PRO 24 HA PRO 24 16.234 -4.022 -1.310
171 HB2 PRO 24 2HB PRO 24 16.344 -3.217 -3.917
172 HB3 PRO 24 1HB PRO 24 14.966 -4.103 -3.231
173 HG2 PRO 24 2HG PRO 24 15.252 -1.201 -3.789
174 HG3 PRO 24 1HG PRO 24 13.843 -2.257 -3.979
175 HD2 PRO 24 2HD PRO 24 14.163 -0.538 -1.891
176 HD3 PRO 24 1HD PRO 24 13.215 -2.039 -1.802
177 H HIS 25 H HIS 25 18.459 -4.057 -1.324
178 HA HIS 25 HA HIS 25 19.962 -1.536 -1.166
179 HB2 HIS 25 2HB HIS 25 20.225 -3.846 0.093
180 HB3 HIS 25 1HB HIS 25 21.214 -4.260 -1.305
181 HD1 HIS 25 1HD HIS 25 23.036 -2.142 -1.892
182 HD2 HIS 25 2HD HIS 25 21.738 -2.642 2.042
183 HE1 HIS 25 1HE HIS 25 24.718 -0.957 -0.426
184 H TYR 26 H TYR 26 19.953 -4.365 -3.377
185 HA TYR 26 HA TYR 26 20.731 -4.631 -5.570
186 HB2 TYR 26 2HB TYR 26 19.110 -2.472 -5.463
187 HB3 TYR 26 1HB TYR 26 20.582 -1.692 -6.034
188 HD1 TYR 26 2HD TYR 26 18.028 -4.259 -6.787
189 HD2 TYR 26 1HD TYR 26 21.500 -2.177 -8.226
190 HE1 TYR 26 2HE TYR 26 17.605 -5.130 -9.070
191 HE2 TYR 26 1HE TYR 26 21.076 -3.049 -10.508
192 HH TYR 26 HH TYR 26 18.519 -4.002 -11.665
193 H LYS 27 H LYS 27 22.765 -4.483 -3.669
194 HA LYS 27 HA LYS 27 25.074 -4.199 -3.441
195 HB2 LYS 27 2HB LYS 27 24.719 -3.761 -6.423
196 HB3 LYS 27 1HB LYS 27 26.277 -4.001 -5.642
197 HG2 LYS 27 2HG LYS 27 25.917 -6.207 -6.023
198 HG3 LYS 27 1HG LYS 27 24.822 -6.114 -4.644
199 HD2 LYS 27 2HD LYS 27 22.927 -6.102 -5.964
200 HD3 LYS 27 1HD LYS 27 23.745 -5.322 -7.316
201 HE2 LYS 27 2HE LYS 27 23.579 -7.461 -8.189
202 HE3 LYS 27 1HE LYS 27 25.108 -7.652 -7.312
203 HZ1 LYS 27 3HZ LYS 27 22.397 -8.267 -6.247
204 HZ2 LYS 27 1HZ LYS 27 23.840 -8.380 -5.361
205 HZ3 LYS 27 2HZ LYS 27 23.579 -9.405 -6.691
Start of MODEL 26
1 H1 MET 1 1HT MET 1 -24.265 -10.172 -5.028
2 H2 MET 1 2HT MET 1 -22.897 -9.776 -5.955
3 H3 MET 1 3HT MET 1 -22.837 -9.680 -4.261
4 HA MET 1 HA MET 1 -23.244 -12.134 -4.171
5 HB2 MET 1 2HB MET 1 -24.209 -11.929 -6.573
6 HB3 MET 1 1HB MET 1 -22.532 -11.998 -7.110
7 HG2 MET 1 2HG MET 1 -23.210 -14.252 -7.164
8 HG3 MET 1 1HG MET 1 -22.367 -14.122 -5.621
9 HE1 MET 1 2HE MET 1 -24.695 -16.203 -6.800
10 HE2 MET 1 3HE MET 1 -25.482 -16.594 -5.275
11 HE3 MET 1 1HE MET 1 -23.717 -16.484 -5.364
12 H ASP 2 H ASP 2 -21.391 -11.211 -2.909
13 HA ASP 2 HA ASP 2 -18.810 -12.166 -3.970
14 HB2 ASP 2 2HB ASP 2 -17.767 -9.902 -3.498
15 HB3 ASP 2 1HB ASP 2 -18.858 -9.938 -4.879
16 H ARG 3 H ARG 3 -17.348 -12.663 -2.270
17 HA ARG 3 HA ARG 3 -17.865 -11.780 0.490
18 HB2 ARG 3 2HB ARG 3 -19.352 -13.859 -0.436
19 HB3 ARG 3 1HB ARG 3 -17.950 -14.734 0.174
20 HG2 ARG 3 2HG ARG 3 -18.937 -12.623 1.986
21 HG3 ARG 3 1HG ARG 3 -20.081 -13.934 1.711
22 HD2 ARG 3 2HD ARG 3 -18.911 -15.018 3.349
23 HD3 ARG 3 1HD ARG 3 -17.708 -15.311 2.078
24 HE ARG 3 HE ARG 3 -16.596 -13.177 2.794
25 HH11 ARG 3 1HH1 ARG 3 -18.694 -12.020 4.515
26 HH12 ARG 3 2HH1 ARG 3 -18.182 -12.457 6.110
27 HH21 ARG 3 1HH2 ARG 3 -15.986 -14.926 4.989
28 HH22 ARG 3 2HH2 ARG 3 -16.628 -14.124 6.382
29 H GLU 4 H GLU 4 -15.556 -11.512 -1.188
30 HA GLU 4 HA GLU 4 -13.586 -13.250 0.268
31 HB2 GLU 4 2HB GLU 4 -13.932 -12.643 -2.657
32 HB3 GLU 4 1HB GLU 4 -12.324 -13.000 -2.030
33 HG2 GLU 4 2HG GLU 4 -12.915 -15.178 -1.383
34 HG3 GLU 4 1HG GLU 4 -14.640 -14.809 -1.374
35 H MET 5 H MET 5 -13.688 -10.377 -1.907
36 HA MET 5 HA MET 5 -11.687 -9.045 -0.108
37 HB2 MET 5 2HB MET 5 -11.460 -9.725 -2.715
38 HB3 MET 5 1HB MET 5 -12.158 -8.117 -2.895
39 HG2 MET 5 2HG MET 5 -10.374 -7.169 -1.490
40 HG3 MET 5 1HG MET 5 -9.682 -8.776 -1.268
41 HE1 MET 5 3HE MET 5 -7.271 -7.258 -2.450
42 HE2 MET 5 1HE MET 5 -8.574 -6.085 -2.192
43 HE3 MET 5 2HE MET 5 -7.744 -6.160 -3.742
44 H ALA 6 H ALA 6 -14.601 -8.962 0.363
45 HA ALA 6 HA ALA 6 -15.860 -6.590 -0.621
46 HB1 ALA 6 1HB ALA 6 -16.876 -8.547 0.628
47 HB2 ALA 6 2HB ALA 6 -17.415 -6.959 1.176
48 HB3 ALA 6 3HB ALA 6 -16.213 -7.853 2.109
49 H ALA 7 H ALA 7 -13.748 -7.086 2.222
50 HA ALA 7 HA ALA 7 -13.947 -4.231 2.986
51 HB1 ALA 7 1HB ALA 7 -12.433 -5.058 4.844
52 HB2 ALA 7 2HB ALA 7 -12.514 -6.660 4.112
53 HB3 ALA 7 3HB ALA 7 -13.978 -5.902 4.738
54 H SER 8 H SER 8 -10.812 -5.747 3.317
55 HA SER 8 HA SER 8 -8.716 -5.172 2.453
56 HB2 SER 8 2HB SER 8 -10.378 -6.020 0.431
57 HB3 SER 8 1HB SER 8 -9.777 -4.490 -0.200
58 HG SER 8 HG SER 8 -8.463 -6.867 0.320
59 H ALA 9 H ALA 9 -10.708 -2.841 3.291
60 HA ALA 9 HA ALA 9 -9.836 -0.560 1.688
61 HB1 ALA 9 1HB ALA 9 -11.362 -0.994 4.260
62 HB2 ALA 9 2HB ALA 9 -11.958 -0.375 2.721
63 HB3 ALA 9 3HB ALA 9 -10.923 0.631 3.733
64 H GLY 10 H GLY 10 -9.023 -1.914 4.892
65 HA2 GLY 10 2HA GLY 10 -6.776 0.025 5.147
66 HA3 GLY 10 1HA GLY 10 -7.398 -0.997 6.442
67 H GLY 11 H GLY 11 -6.747 -2.340 3.242
68 HA2 GLY 11 2HA GLY 11 -4.504 -3.908 4.439
69 HA3 GLY 11 1HA GLY 11 -5.540 -4.483 3.135
70 H ALA 12 H ALA 12 -5.521 -2.204 1.459
71 HA ALA 12 HA ALA 12 -3.189 -2.571 -0.105
72 HB1 ALA 12 1HB ALA 12 -5.385 -0.549 0.088
73 HB2 ALA 12 2HB ALA 12 -4.953 -1.612 -1.251
74 HB3 ALA 12 3HB ALA 12 -3.996 -0.167 -0.931
75 H VAL 13 H VAL 13 -3.927 0.238 2.022
76 HA VAL 13 HA VAL 13 -1.443 1.595 1.750
77 HB VAL 13 HB VAL 13 -3.423 1.429 4.051
78 HG11 VAL 13 1HG1 VAL 13 -1.219 3.443 3.506
79 HG12 VAL 13 2HG1 VAL 13 -1.312 2.336 4.877
80 HG13 VAL 13 3HG1 VAL 13 -2.485 3.643 4.719
81 HG21 VAL 13 3HG2 VAL 13 -4.582 2.304 2.193
82 HG22 VAL 13 1HG2 VAL 13 -3.157 3.147 1.584
83 HG23 VAL 13 2HG2 VAL 13 -3.999 3.754 3.009
84 H PHE 14 H PHE 14 -2.395 -1.023 3.973
85 HA PHE 14 HA PHE 14 -0.052 -1.034 5.629
86 HB2 PHE 14 2HB PHE 14 -2.236 -2.119 6.125
87 HB3 PHE 14 1HB PHE 14 -1.938 -3.278 4.833
88 HD1 PHE 14 1HD PHE 14 -0.638 -2.034 8.100
89 HD2 PHE 14 2HD PHE 14 -0.563 -5.186 5.181
90 HE1 PHE 14 1HE PHE 14 0.650 -3.457 9.667
91 HE2 PHE 14 2HE PHE 14 0.725 -6.607 6.749
92 HZ PHE 14 HZ PHE 14 1.332 -5.744 8.994
93 H VAL 15 H VAL 15 -0.870 -2.902 2.675
94 HA VAL 15 HA VAL 15 1.544 -4.446 2.538
95 HB VAL 15 HB VAL 15 -0.461 -3.513 0.456
96 HG11 VAL 15 1HG1 VAL 15 1.395 -4.080 -0.876
97 HG12 VAL 15 2HG1 VAL 15 0.494 -5.594 -0.791
98 HG13 VAL 15 3HG1 VAL 15 1.915 -5.355 0.226
99 HG21 VAL 15 3HG2 VAL 15 -1.123 -5.077 2.404
100 HG22 VAL 15 1HG2 VAL 15 -0.096 -6.280 1.623
101 HG23 VAL 15 2HG2 VAL 15 -1.497 -5.630 0.772
102 H GLY 16 H GLY 16 0.704 -1.228 1.224
103 HA2 GLY 16 2HA GLY 16 3.048 -0.824 -0.355
104 HA3 GLY 16 1HA GLY 16 2.054 0.467 0.326
105 H LEU 17 H LEU 17 2.337 -0.083 3.065
106 HA LEU 17 HA LEU 17 4.878 1.149 3.669
107 HB2 LEU 17 2HB LEU 17 2.621 1.193 4.932
108 HB3 LEU 17 1HB LEU 17 3.087 -0.380 5.578
109 HG LEU 17 HG LEU 17 5.054 1.876 5.755
110 HD11 LEU 17 1HD1 LEU 17 4.047 2.584 7.896
111 HD12 LEU 17 2HD1 LEU 17 2.699 1.479 7.628
112 HD13 LEU 17 3HD1 LEU 17 2.940 2.856 6.550
113 HD21 LEU 17 3HD2 LEU 17 5.294 0.614 8.056
114 HD22 LEU 17 1HD2 LEU 17 5.944 -0.125 6.594
115 HD23 LEU 17 2HD2 LEU 17 4.393 -0.662 7.238
116 H VAL 18 H VAL 18 3.635 -2.204 4.085
117 HA VAL 18 HA VAL 18 6.023 -3.297 5.238
118 HB VAL 18 HB VAL 18 3.818 -4.530 3.548
119 HG11 VAL 18 1HG1 VAL 18 5.802 -5.939 5.364
120 HG12 VAL 18 2HG1 VAL 18 5.917 -5.918 3.604
121 HG13 VAL 18 3HG1 VAL 18 4.542 -6.692 4.388
122 HG21 VAL 18 3HG2 VAL 18 4.032 -5.080 6.448
123 HG22 VAL 18 1HG2 VAL 18 2.608 -4.713 5.475
124 HG23 VAL 18 2HG2 VAL 18 3.647 -3.408 6.044
125 H LEU 19 H LEU 19 5.024 -2.787 1.851
126 HA LEU 19 HA LEU 19 7.298 -4.199 0.695
127 HB2 LEU 19 2HB LEU 19 5.111 -3.881 -0.421
128 HB3 LEU 19 1HB LEU 19 5.380 -2.140 -0.444
129 HG LEU 19 HG LEU 19 7.682 -3.462 -1.571
130 HD11 LEU 19 1HD1 LEU 19 6.795 -4.712 -3.347
131 HD12 LEU 19 2HD1 LEU 19 5.187 -4.009 -3.166
132 HD13 LEU 19 3HD1 LEU 19 5.771 -5.190 -1.993
133 HD21 LEU 19 3HD2 LEU 19 5.549 -1.774 -2.918
134 HD22 LEU 19 1HD2 LEU 19 7.228 -1.966 -3.419
135 HD23 LEU 19 2HD2 LEU 19 6.848 -1.104 -1.929
136 H LEU 20 H LEU 20 6.630 -0.814 1.590
137 HA LEU 20 HA LEU 20 9.094 0.197 0.337
138 HB2 LEU 20 2HB LEU 20 6.662 1.266 0.988
139 HB3 LEU 20 1HB LEU 20 7.642 1.821 2.342
140 HG LEU 20 HG LEU 20 9.368 2.462 0.449
141 HD11 LEU 20 1HD1 LEU 20 8.346 3.065 -1.653
142 HD12 LEU 20 2HD1 LEU 20 6.741 2.649 -1.051
143 HD13 LEU 20 3HD1 LEU 20 7.935 1.380 -1.327
144 HD21 LEU 20 3HD2 LEU 20 8.432 4.148 1.874
145 HD22 LEU 20 1HD2 LEU 20 6.831 3.961 1.158
146 HD23 LEU 20 2HD2 LEU 20 8.135 4.692 0.223
147 H THR 21 H THR 21 7.949 -0.546 3.637
148 HA THR 21 HA THR 21 10.476 0.340 4.876
149 HB THR 21 HB THR 21 8.110 -1.118 6.079
150 HG1 THR 21 1HG THR 21 8.522 1.674 5.730
151 HG21 THR 21 3HG2 THR 21 10.003 0.862 7.356
152 HG22 THR 21 1HG2 THR 21 10.268 -0.883 7.394
153 HG23 THR 21 2HG2 THR 21 8.836 -0.192 8.155
154 H LEU 22 H LEU 22 8.691 -2.781 4.603
155 HA LEU 22 HA LEU 22 11.059 -4.275 5.559
156 HB2 LEU 22 2HB LEU 22 8.229 -4.606 5.489
157 HB3 LEU 22 1HB LEU 22 8.926 -5.927 4.555
158 HG LEU 22 HG LEU 22 10.118 -5.219 7.221
159 HD11 LEU 22 1HD1 LEU 22 7.564 -6.752 6.700
160 HD12 LEU 22 2HD1 LEU 22 7.831 -5.435 7.844
161 HD13 LEU 22 3HD1 LEU 22 8.539 -7.022 8.146
162 HD21 LEU 22 3HD2 LEU 22 9.741 -7.836 5.724
163 HD22 LEU 22 1HD2 LEU 22 10.692 -7.602 7.190
164 HD23 LEU 22 2HD2 LEU 22 11.206 -6.856 5.677
165 H SER 23 H SER 23 9.069 -4.104 2.601
166 HA SER 23 HA SER 23 9.558 -4.476 0.358
167 HB2 SER 23 2HB SER 23 12.441 -4.707 1.263
168 HB3 SER 23 1HB SER 23 11.865 -4.346 -0.356
169 HG SER 23 HG SER 23 10.896 -2.432 0.570
170 HA PRO 24 HA PRO 24 9.493 -8.913 0.452
171 HB2 PRO 24 2HB PRO 24 8.776 -9.326 -2.145
172 HB3 PRO 24 1HB PRO 24 7.634 -8.802 -0.891
173 HG2 PRO 24 2HG PRO 24 8.939 -7.228 -3.029
174 HG3 PRO 24 1HG PRO 24 7.333 -7.049 -2.306
175 HD2 PRO 24 2HD PRO 24 9.518 -5.468 -1.720
176 HD3 PRO 24 1HD PRO 24 8.088 -5.661 -0.684
177 H HIS 25 H HIS 25 11.575 -7.015 -1.557
178 HA HIS 25 HA HIS 25 13.622 -7.442 -2.616
179 HB2 HIS 25 2HB HIS 25 13.452 -9.554 -0.460
180 HB3 HIS 25 1HB HIS 25 14.880 -9.386 -1.475
181 HD1 HIS 25 1HD HIS 25 12.864 -7.524 1.126
182 HD2 HIS 25 2HD HIS 25 16.487 -7.139 -0.907
183 HE1 HIS 25 1HE HIS 25 14.123 -5.641 2.252
184 H TYR 26 H TYR 26 11.433 -8.382 -4.103
185 HA TYR 26 HA TYR 26 12.624 -10.754 -5.473
186 HB2 TYR 26 2HB TYR 26 10.630 -11.111 -3.744
187 HB3 TYR 26 1HB TYR 26 9.654 -10.572 -5.109
188 HD1 TYR 26 1HD TYR 26 9.834 -11.803 -7.323
189 HD2 TYR 26 2HD TYR 26 11.588 -13.288 -3.692
190 HE1 TYR 26 1HE TYR 26 10.010 -14.061 -8.331
191 HE2 TYR 26 2HE TYR 26 11.763 -15.544 -4.701
192 HH TYR 26 HH TYR 26 10.183 -16.681 -6.948
193 H LYS 27 H LYS 27 12.428 -10.632 -7.716
194 HA LYS 27 HA LYS 27 10.626 -8.577 -8.912
195 HB2 LYS 27 2HB LYS 27 12.936 -7.660 -8.437
196 HB3 LYS 27 1HB LYS 27 13.578 -8.864 -9.554
197 HG2 LYS 27 2HG LYS 27 13.176 -7.425 -11.235
198 HG3 LYS 27 1HG LYS 27 11.452 -7.637 -10.934
199 HD2 LYS 27 2HD LYS 27 11.543 -5.817 -9.244
200 HD3 LYS 27 1HD LYS 27 13.250 -5.577 -9.621
201 HE2 LYS 27 2HE LYS 27 12.610 -5.125 -12.011
202 HE3 LYS 27 1HE LYS 27 10.906 -5.198 -11.520
203 HZ1 LYS 27 3HZ LYS 27 11.737 -2.922 -11.429
204 HZ2 LYS 27 1HZ LYS 27 12.960 -3.386 -10.352
205 HZ3 LYS 27 2HZ LYS 27 11.329 -3.477 -9.876
Start of MODEL 27
1 H1 MET 1 1HT MET 1 -10.499 -10.557 -3.011
2 H2 MET 1 2HT MET 1 -9.692 -11.689 -3.989
3 H3 MET 1 3HT MET 1 -11.218 -11.100 -4.447
4 HA MET 1 HA MET 1 -10.206 -8.816 -4.589
5 HB2 MET 1 2HB MET 1 -7.876 -10.584 -3.893
6 HB3 MET 1 1HB MET 1 -7.595 -9.178 -4.919
7 HG2 MET 1 2HG MET 1 -7.340 -8.124 -2.905
8 HG3 MET 1 1HG MET 1 -9.097 -8.021 -2.990
9 HE1 MET 1 2HE MET 1 -10.105 -9.332 0.192
10 HE2 MET 1 3HE MET 1 -10.489 -8.559 -1.342
11 HE3 MET 1 1HE MET 1 -9.297 -7.833 -0.250
12 H ASP 2 H ASP 2 -10.960 -8.676 -6.683
13 HA ASP 2 HA ASP 2 -9.581 -10.313 -8.783
14 HB2 ASP 2 2HB ASP 2 -12.552 -9.825 -8.423
15 HB3 ASP 2 1HB ASP 2 -11.832 -10.622 -9.819
16 H ARG 3 H ARG 3 -12.004 -7.642 -8.498
17 HA ARG 3 HA ARG 3 -10.336 -6.031 -10.391
18 HB2 ARG 3 2HB ARG 3 -12.401 -7.521 -11.241
19 HB3 ARG 3 1HB ARG 3 -13.316 -6.115 -10.708
20 HG2 ARG 3 2HG ARG 3 -12.528 -4.800 -12.398
21 HG3 ARG 3 1HG ARG 3 -10.907 -5.490 -12.311
22 HD2 ARG 3 2HD ARG 3 -11.864 -6.144 -14.443
23 HD3 ARG 3 1HD ARG 3 -11.856 -7.586 -13.410
24 HE ARG 3 HE ARG 3 -14.283 -6.841 -12.813
25 HH11 ARG 3 1HH1 ARG 3 -13.536 -8.174 -15.588
26 HH12 ARG 3 2HH1 ARG 3 -14.623 -7.304 -16.615
27 HH21 ARG 3 1HH2 ARG 3 -15.345 -4.873 -14.225
28 HH22 ARG 3 2HH2 ARG 3 -15.656 -5.420 -15.837
29 H GLU 4 H GLU 4 -12.931 -4.216 -10.350
30 HA GLU 4 HA GLU 4 -13.665 -2.341 -9.188
31 HB2 GLU 4 2HB GLU 4 -12.867 -3.869 -6.697
32 HB3 GLU 4 1HB GLU 4 -14.132 -2.661 -6.857
33 HG2 GLU 4 2HG GLU 4 -14.120 -5.507 -7.871
34 HG3 GLU 4 1HG GLU 4 -15.282 -4.735 -6.801
35 H MET 5 H MET 5 -11.707 -1.365 -10.158
36 HA MET 5 HA MET 5 -9.814 0.024 -10.063
37 HB2 MET 5 2HB MET 5 -11.506 0.753 -8.128
38 HB3 MET 5 1HB MET 5 -10.167 0.250 -7.099
39 HG2 MET 5 2HG MET 5 -9.780 2.558 -7.513
40 HG3 MET 5 1HG MET 5 -8.676 1.714 -8.598
41 HE1 MET 5 3HE MET 5 -12.068 4.512 -9.542
42 HE2 MET 5 1HE MET 5 -10.651 4.737 -8.500
43 HE3 MET 5 2HE MET 5 -11.902 3.579 -8.058
44 H ALA 6 H ALA 6 -9.506 -2.917 -9.597
45 HA ALA 6 HA ALA 6 -7.907 -4.488 -8.928
46 HB1 ALA 6 1HB ALA 6 -6.671 -3.058 -10.501
47 HB2 ALA 6 2HB ALA 6 -5.604 -3.643 -9.225
48 HB3 ALA 6 3HB ALA 6 -6.208 -1.986 -9.178
49 H ALA 7 H ALA 7 -9.359 -3.226 -6.741
50 HA ALA 7 HA ALA 7 -9.323 -3.039 -4.409
51 HB1 ALA 7 1HB ALA 7 -8.001 -4.712 -3.344
52 HB2 ALA 7 2HB ALA 7 -6.811 -4.701 -4.646
53 HB3 ALA 7 3HB ALA 7 -8.424 -5.360 -4.929
54 H SER 8 H SER 8 -7.751 -0.989 -5.984
55 HA SER 8 HA SER 8 -5.409 -0.347 -4.331
56 HB2 SER 8 2HB SER 8 -6.860 0.925 -6.657
57 HB3 SER 8 1HB SER 8 -5.540 1.751 -5.840
58 HG SER 8 HG SER 8 -4.372 0.586 -7.172
59 H ALA 9 H ALA 9 -6.597 -0.208 -2.238
60 HA ALA 9 HA ALA 9 -7.568 2.540 -1.737
61 HB1 ALA 9 1HB ALA 9 -9.699 1.706 -0.782
62 HB2 ALA 9 2HB ALA 9 -9.267 0.068 -1.274
63 HB3 ALA 9 3HB ALA 9 -9.555 1.310 -2.494
64 H GLY 10 H GLY 10 -7.763 -0.613 -0.005
65 HA2 GLY 10 2HA GLY 10 -6.451 0.676 2.340
66 HA3 GLY 10 1HA GLY 10 -7.441 -0.780 2.402
67 H GLY 11 H GLY 11 -6.014 -1.909 -0.017
68 HA2 GLY 11 2HA GLY 11 -4.057 -3.473 1.302
69 HA3 GLY 11 1HA GLY 11 -4.203 -3.315 -0.448
70 H ALA 12 H ALA 12 -3.526 -0.759 -1.010
71 HA ALA 12 HA ALA 12 -0.693 -0.673 -0.806
72 HB1 ALA 12 1HB ALA 12 -1.927 0.501 -2.525
73 HB2 ALA 12 2HB ALA 12 -1.019 1.693 -1.594
74 HB3 ALA 12 3HB ALA 12 -2.749 1.492 -1.320
75 H VAL 13 H VAL 13 -3.128 0.556 1.450
76 HA VAL 13 HA VAL 13 -1.425 2.396 2.884
77 HB VAL 13 HB VAL 13 -3.940 0.878 3.657
78 HG11 VAL 13 1HG1 VAL 13 -2.567 3.227 5.000
79 HG12 VAL 13 2HG1 VAL 13 -2.776 1.612 5.677
80 HG13 VAL 13 3HG1 VAL 13 -4.181 2.642 5.404
81 HG21 VAL 13 3HG2 VAL 13 -3.359 3.539 2.369
82 HG22 VAL 13 1HG2 VAL 13 -4.831 3.324 3.317
83 HG23 VAL 13 2HG2 VAL 13 -4.539 2.317 1.899
84 H PHE 14 H PHE 14 -2.136 -1.091 3.301
85 HA PHE 14 HA PHE 14 -0.190 -1.171 5.576
86 HB2 PHE 14 2HB PHE 14 -2.636 -2.050 5.651
87 HB3 PHE 14 1HB PHE 14 -2.030 -3.392 4.680
88 HD1 PHE 14 2HD PHE 14 -1.719 -1.635 7.928
89 HD2 PHE 14 1HD PHE 14 -0.574 -5.070 5.616
90 HE1 PHE 14 2HE PHE 14 -0.808 -2.706 9.970
91 HE2 PHE 14 1HE PHE 14 0.337 -6.141 7.658
92 HZ PHE 14 HZ PHE 14 0.220 -4.959 9.836
93 H VAL 15 H VAL 15 -1.078 -3.062 2.661
94 HA VAL 15 HA VAL 15 1.252 -4.725 2.574
95 HB VAL 15 HB VAL 15 -0.513 -3.723 0.307
96 HG11 VAL 15 1HG1 VAL 15 1.499 -4.838 -0.512
97 HG12 VAL 15 2HG1 VAL 15 0.107 -5.895 -0.749
98 HG13 VAL 15 3HG1 VAL 15 1.226 -6.195 0.580
99 HG21 VAL 15 3HG2 VAL 15 -1.503 -6.153 0.826
100 HG22 VAL 15 1HG2 VAL 15 -2.083 -4.730 1.691
101 HG23 VAL 15 2HG2 VAL 15 -0.896 -5.795 2.442
102 H GLY 16 H GLY 16 0.504 -1.649 0.883
103 HA2 GLY 16 2HA GLY 16 2.960 -1.393 -0.534
104 HA3 GLY 16 1HA GLY 16 1.905 -0.047 -0.100
105 H LEU 17 H LEU 17 2.011 -0.338 2.733
106 HA LEU 17 HA LEU 17 4.382 1.135 3.403
107 HB2 LEU 17 2HB LEU 17 2.179 1.153 4.594
108 HB3 LEU 17 1HB LEU 17 2.520 -0.471 5.185
109 HG LEU 17 HG LEU 17 4.763 1.305 5.706
110 HD11 LEU 17 1HD1 LEU 17 3.616 2.704 7.413
111 HD12 LEU 17 2HD1 LEU 17 2.063 2.089 6.847
112 HD13 LEU 17 3HD1 LEU 17 3.067 3.067 5.777
113 HD21 LEU 17 3HD2 LEU 17 4.480 0.421 7.969
114 HD22 LEU 17 1HD2 LEU 17 4.273 -0.889 6.807
115 HD23 LEU 17 2HD2 LEU 17 2.862 -0.158 7.572
116 H VAL 18 H VAL 18 3.533 -2.322 3.870
117 HA VAL 18 HA VAL 18 5.902 -3.108 5.281
118 HB VAL 18 HB VAL 18 3.927 -4.549 3.481
119 HG11 VAL 18 1HG1 VAL 18 4.869 -6.643 4.619
120 HG12 VAL 18 2HG1 VAL 18 6.264 -5.656 5.055
121 HG13 VAL 18 3HG1 VAL 18 5.870 -5.927 3.357
122 HG21 VAL 18 3HG2 VAL 18 4.347 -4.680 6.483
123 HG22 VAL 18 1HG2 VAL 18 3.001 -5.354 5.565
124 HG23 VAL 18 2HG2 VAL 18 3.183 -3.606 5.707
125 H LEU 19 H LEU 19 5.160 -2.951 1.790
126 HA LEU 19 HA LEU 19 7.648 -4.095 0.869
127 HB2 LEU 19 2HB LEU 19 5.304 -3.631 -0.271
128 HB3 LEU 19 1HB LEU 19 6.055 -2.098 -0.711
129 HG LEU 19 HG LEU 19 7.488 -4.705 -1.211
130 HD11 LEU 19 1HD1 LEU 19 5.221 -4.837 -2.244
131 HD12 LEU 19 2HD1 LEU 19 6.514 -4.791 -3.441
132 HD13 LEU 19 3HD1 LEU 19 5.562 -3.343 -3.116
133 HD21 LEU 19 3HD2 LEU 19 7.706 -1.845 -2.058
134 HD22 LEU 19 1HD2 LEU 19 8.152 -3.075 -3.241
135 HD23 LEU 19 2HD2 LEU 19 8.981 -3.005 -1.687
136 H LEU 20 H LEU 20 6.671 -0.787 1.746
137 HA LEU 20 HA LEU 20 9.020 0.491 0.575
138 HB2 LEU 20 2HB LEU 20 6.618 1.382 1.228
139 HB3 LEU 20 1HB LEU 20 7.378 1.665 2.794
140 HG LEU 20 HG LEU 20 9.262 2.830 1.445
141 HD11 LEU 20 1HD1 LEU 20 7.002 2.954 -0.577
142 HD12 LEU 20 2HD1 LEU 20 8.474 2.003 -0.770
143 HD13 LEU 20 3HD1 LEU 20 8.564 3.763 -0.707
144 HD21 LEU 20 3HD2 LEU 20 7.998 4.952 1.449
145 HD22 LEU 20 1HD2 LEU 20 7.641 4.011 2.897
146 HD23 LEU 20 2HD2 LEU 20 6.484 4.056 1.568
147 H THR 21 H THR 21 8.206 -0.840 3.763
148 HA THR 21 HA THR 21 10.351 0.340 5.263
149 HB THR 21 HB THR 21 8.656 -2.150 5.574
150 HG1 THR 21 1HG THR 21 7.451 -0.382 5.917
151 HG21 THR 21 3HG2 THR 21 10.633 -0.948 7.534
152 HG22 THR 21 1HG2 THR 21 10.712 -2.557 6.816
153 HG23 THR 21 2HG2 THR 21 9.421 -2.159 7.949
154 H LEU 22 H LEU 22 10.188 -2.751 3.434
155 HA LEU 22 HA LEU 22 13.119 -3.120 3.966
156 HB2 LEU 22 2HB LEU 22 10.808 -4.979 3.461
157 HB3 LEU 22 1HB LEU 22 12.468 -5.524 3.223
158 HG LEU 22 HG LEU 22 12.414 -4.144 5.707
159 HD11 LEU 22 1HD1 LEU 22 10.748 -5.598 6.918
160 HD12 LEU 22 2HD1 LEU 22 10.134 -6.107 5.346
161 HD13 LEU 22 3HD1 LEU 22 10.015 -4.417 5.832
162 HD21 LEU 22 3HD2 LEU 22 12.490 -7.115 5.079
163 HD22 LEU 22 1HD2 LEU 22 13.023 -6.372 6.587
164 HD23 LEU 22 2HD2 LEU 22 13.885 -6.034 5.084
165 H SER 23 H SER 23 10.974 -2.199 1.466
166 HA SER 23 HA SER 23 11.305 -1.764 -0.795
167 HB2 SER 23 2HB SER 23 13.856 -1.694 0.413
168 HB3 SER 23 1HB SER 23 14.051 -2.633 -1.062
169 HG SER 23 HG SER 23 13.149 0.017 -0.697
170 HA PRO 24 HA PRO 24 10.882 -5.674 -2.782
171 HB2 PRO 24 2HB PRO 24 11.258 -4.998 -5.402
172 HB3 PRO 24 1HB PRO 24 9.817 -4.530 -4.480
173 HG2 PRO 24 2HG PRO 24 12.124 -2.904 -5.313
174 HG3 PRO 24 1HG PRO 24 10.449 -2.427 -5.009
175 HD2 PRO 24 2HD PRO 24 12.628 -2.048 -3.292
176 HD3 PRO 24 1HD PRO 24 10.910 -1.852 -2.885
177 H HIS 25 H HIS 25 13.105 -6.114 -1.614
178 HA HIS 25 HA HIS 25 15.216 -7.114 -1.638
179 HB2 HIS 25 2HB HIS 25 13.656 -8.365 -3.439
180 HB3 HIS 25 1HB HIS 25 14.909 -7.780 -4.533
181 HD1 HIS 25 1HD HIS 25 17.459 -8.125 -3.055
182 HD2 HIS 25 2HD HIS 25 14.385 -10.927 -2.729
183 HE1 HIS 25 1HE HIS 25 18.533 -10.279 -2.273
184 H TYR 26 H TYR 26 15.389 -4.388 -1.934
185 HA TYR 26 HA TYR 26 17.193 -3.800 -4.228
186 HB2 TYR 26 2HB TYR 26 15.202 -2.371 -3.427
187 HB3 TYR 26 1HB TYR 26 16.219 -1.929 -2.056
188 HD1 TYR 26 1HD TYR 26 15.772 -1.663 -5.708
189 HD2 TYR 26 2HD TYR 26 18.210 -0.549 -2.350
190 HE1 TYR 26 1HE TYR 26 16.911 0.042 -7.101
191 HE2 TYR 26 2HE TYR 26 19.349 1.156 -3.745
192 HH TYR 26 HH TYR 26 18.307 2.461 -6.272
193 H LYS 27 H LYS 27 17.194 -3.466 -0.644
194 HA LYS 27 HA LYS 27 20.156 -3.882 -0.673
195 HB2 LYS 27 2HB LYS 27 18.547 -1.554 0.269
196 HB3 LYS 27 1HB LYS 27 19.916 -2.037 1.271
197 HG2 LYS 27 2HG LYS 27 21.406 -1.910 -0.691
198 HG3 LYS 27 1HG LYS 27 20.043 -1.419 -1.695
199 HD2 LYS 27 2HD LYS 27 20.736 0.687 -1.169
200 HD3 LYS 27 1HD LYS 27 19.836 0.397 0.319
201 HE2 LYS 27 2HE LYS 27 22.283 -0.772 0.882
202 HE3 LYS 27 1HE LYS 27 22.741 0.649 -0.075
203 HZ1 LYS 27 3HZ LYS 27 22.516 1.338 2.185
204 HZ2 LYS 27 1HZ LYS 27 20.996 0.604 2.330
205 HZ3 LYS 27 2HZ LYS 27 21.191 1.967 1.329
Start of MODEL 28
1 H1 MET 1 1HT MET 1 -21.086 -13.850 11.230
2 H2 MET 1 2HT MET 1 -20.649 -15.205 12.155
3 H3 MET 1 3HT MET 1 -21.201 -15.402 10.558
4 HA MET 1 HA MET 1 -18.626 -14.193 11.446
5 HB2 MET 1 2HB MET 1 -19.160 -16.752 11.259
6 HB3 MET 1 1HB MET 1 -19.092 -16.465 9.521
7 HG2 MET 1 2HG MET 1 -16.828 -15.160 10.534
8 HG3 MET 1 1HG MET 1 -16.912 -16.672 11.436
9 HE1 MET 1 2HE MET 1 -15.533 -15.077 8.271
10 HE2 MET 1 3HE MET 1 -17.280 -15.002 8.071
11 HE3 MET 1 1HE MET 1 -16.300 -15.986 6.973
12 H ASP 2 H ASP 2 -17.766 -12.685 10.062
13 HA ASP 2 HA ASP 2 -18.527 -12.659 7.193
14 HB2 ASP 2 2HB ASP 2 -20.056 -11.252 8.884
15 HB3 ASP 2 1HB ASP 2 -18.760 -10.073 8.669
16 H ARG 3 H ARG 3 -17.241 -10.816 6.061
17 HA ARG 3 HA ARG 3 -14.489 -10.735 7.231
18 HB2 ARG 3 2HB ARG 3 -15.380 -11.683 4.842
19 HB3 ARG 3 1HB ARG 3 -14.966 -10.028 4.391
20 HG2 ARG 3 2HG ARG 3 -12.715 -10.323 5.362
21 HG3 ARG 3 1HG ARG 3 -13.126 -11.981 5.806
22 HD2 ARG 3 2HD ARG 3 -13.761 -12.076 3.179
23 HD3 ARG 3 1HD ARG 3 -12.475 -10.854 3.129
24 HE ARG 3 HE ARG 3 -11.316 -12.709 4.726
25 HH11 ARG 3 1HH2 ARG 3 -10.343 -12.628 1.979
26 HH12 ARG 3 2HH2 ARG 3 -10.713 -14.201 1.360
27 HH21 ARG 3 1HH1 ARG 3 -13.019 -14.917 3.879
28 HH22 ARG 3 2HH1 ARG 3 -12.248 -15.511 2.448
29 H GLU 4 H GLU 4 -16.598 -8.813 8.024
30 HA GLU 4 HA GLU 4 -16.470 -6.294 6.711
31 HB2 GLU 4 2HB GLU 4 -17.517 -7.431 9.096
32 HB3 GLU 4 1HB GLU 4 -16.574 -6.028 9.592
33 HG2 GLU 4 2HG GLU 4 -18.600 -5.010 9.139
34 HG3 GLU 4 1HG GLU 4 -17.831 -4.876 7.560
35 H MET 5 H MET 5 -14.360 -7.702 9.213
36 HA MET 5 HA MET 5 -12.165 -5.852 8.454
37 HB2 MET 5 2HB MET 5 -13.853 -5.182 10.476
38 HB3 MET 5 1HB MET 5 -12.678 -6.142 11.370
39 HG2 MET 5 2HG MET 5 -11.328 -4.342 11.401
40 HG3 MET 5 1HG MET 5 -11.152 -4.510 9.656
41 HE1 MET 5 3HE MET 5 -12.761 -3.148 7.849
42 HE2 MET 5 1HE MET 5 -11.166 -2.665 8.451
43 HE3 MET 5 2HE MET 5 -12.446 -1.470 8.277
44 H ALA 6 H ALA 6 -12.568 -8.710 8.086
45 HA ALA 6 HA ALA 6 -10.941 -10.105 10.116
46 HB1 ALA 6 1HB ALA 6 -12.280 -10.896 7.512
47 HB2 ALA 6 2HB ALA 6 -12.816 -11.273 9.150
48 HB3 ALA 6 3HB ALA 6 -11.362 -12.031 8.502
49 H ALA 7 H ALA 7 -10.674 -9.480 6.584
50 HA ALA 7 HA ALA 7 -7.772 -9.018 6.822
51 HB1 ALA 7 1HB ALA 7 -7.181 -10.892 5.374
52 HB2 ALA 7 2HB ALA 7 -8.880 -11.332 5.199
53 HB3 ALA 7 3HB ALA 7 -8.082 -11.502 6.763
54 H SER 8 H SER 8 -7.553 -7.220 5.540
55 HA SER 8 HA SER 8 -8.989 -7.152 2.899
56 HB2 SER 8 2HB SER 8 -9.907 -5.697 4.797
57 HB3 SER 8 1HB SER 8 -8.406 -4.784 4.698
58 HG SER 8 HG SER 8 -8.914 -4.262 2.575
59 H ALA 9 H ALA 9 -6.266 -8.089 3.367
60 HA ALA 9 HA ALA 9 -4.058 -7.780 2.635
61 HB1 ALA 9 1HB ALA 9 -5.508 -7.701 0.555
62 HB2 ALA 9 2HB ALA 9 -3.955 -6.880 0.398
63 HB3 ALA 9 3HB ALA 9 -5.427 -5.941 0.649
64 H GLY 10 H GLY 10 -4.088 -6.411 4.826
65 HA2 GLY 10 2HA GLY 10 -3.254 -4.557 6.005
66 HA3 GLY 10 1HA GLY 10 -2.330 -4.206 4.546
67 H GLY 11 H GLY 11 -5.864 -4.281 4.578
68 HA2 GLY 11 2HA GLY 11 -7.423 -2.598 4.147
69 HA3 GLY 11 1HA GLY 11 -6.348 -1.524 5.045
70 H ALA 12 H ALA 12 -5.208 -3.197 2.155
71 HA ALA 12 HA ALA 12 -4.378 -2.373 0.124
72 HB1 ALA 12 1HB ALA 12 -5.981 -1.108 -1.105
73 HB2 ALA 12 2HB ALA 12 -6.627 -0.362 0.357
74 HB3 ALA 12 3HB ALA 12 -6.932 -2.068 0.029
75 H VAL 13 H VAL 13 -3.473 -1.124 2.701
76 HA VAL 13 HA VAL 13 -2.209 1.343 1.587
77 HB VAL 13 HB VAL 13 -3.692 0.951 4.215
78 HG11 VAL 13 1HG1 VAL 13 -3.000 3.415 4.571
79 HG12 VAL 13 2HG1 VAL 13 -1.757 3.111 3.357
80 HG13 VAL 13 3HG1 VAL 13 -1.769 2.184 4.857
81 HG21 VAL 13 3HG2 VAL 13 -4.031 2.908 1.917
82 HG22 VAL 13 1HG2 VAL 13 -4.953 2.957 3.420
83 HG23 VAL 13 2HG2 VAL 13 -5.118 1.583 2.328
84 H PHE 14 H PHE 14 -2.366 -0.737 4.495
85 HA PHE 14 HA PHE 14 0.315 -0.506 5.365
86 HB2 PHE 14 2HB PHE 14 -1.790 -1.543 6.455
87 HB3 PHE 14 1HB PHE 14 -1.368 -3.007 5.570
88 HD1 PHE 14 1HD PHE 14 0.101 -0.462 7.895
89 HD2 PHE 14 2HD PHE 14 0.222 -4.504 6.446
90 HE1 PHE 14 1HE PHE 14 1.793 -1.027 9.614
91 HE2 PHE 14 2HE PHE 14 1.913 -5.069 8.168
92 HZ PHE 14 HZ PHE 14 2.699 -3.331 9.753
93 H VAL 15 H VAL 15 -1.096 -2.582 2.838
94 HA VAL 15 HA VAL 15 1.019 -4.439 2.460
95 HB VAL 15 HB VAL 15 -1.127 -3.187 0.732
96 HG11 VAL 15 1HG1 VAL 15 -0.366 -5.143 -0.906
97 HG12 VAL 15 2HG1 VAL 15 1.216 -4.819 -0.200
98 HG13 VAL 15 3HG1 VAL 15 0.344 -3.535 -1.035
99 HG21 VAL 15 3HG2 VAL 15 -0.578 -6.082 1.424
100 HG22 VAL 15 1HG2 VAL 15 -2.087 -5.366 0.860
101 HG23 VAL 15 2HG2 VAL 15 -1.496 -5.013 2.484
102 H GLY 16 H GLY 16 0.578 -1.156 1.086
103 HA2 GLY 16 2HA GLY 16 3.034 -1.165 -0.434
104 HA3 GLY 16 1HA GLY 16 2.083 0.264 -0.023
105 H LEU 17 H LEU 17 2.152 -0.147 2.859
106 HA LEU 17 HA LEU 17 4.583 1.218 3.542
107 HB2 LEU 17 2HB LEU 17 2.289 -0.067 4.965
108 HB3 LEU 17 1HB LEU 17 3.734 0.279 5.912
109 HG LEU 17 HG LEU 17 3.539 2.636 4.662
110 HD11 LEU 17 1HD1 LEU 17 1.083 3.242 4.593
111 HD12 LEU 17 2HD1 LEU 17 0.723 1.520 4.717
112 HD13 LEU 17 3HD1 LEU 17 1.602 2.139 3.319
113 HD21 LEU 17 3HD2 LEU 17 2.006 1.679 7.095
114 HD22 LEU 17 1HD2 LEU 17 2.115 3.382 6.646
115 HD23 LEU 17 2HD2 LEU 17 3.576 2.483 7.055
116 H VAL 18 H VAL 18 3.602 -2.210 3.940
117 HA VAL 18 HA VAL 18 5.961 -3.150 5.264
118 HB VAL 18 HB VAL 18 3.947 -4.460 3.402
119 HG11 VAL 18 1HG1 VAL 18 5.665 -6.025 3.287
120 HG12 VAL 18 2HG1 VAL 18 4.831 -6.563 4.744
121 HG13 VAL 18 3HG1 VAL 18 6.301 -5.598 4.876
122 HG21 VAL 18 3HG2 VAL 18 3.275 -3.474 5.692
123 HG22 VAL 18 1HG2 VAL 18 4.236 -4.773 6.396
124 HG23 VAL 18 2HG2 VAL 18 2.840 -5.155 5.387
125 H LEU 19 H LEU 19 5.153 -2.877 1.801
126 HA LEU 19 HA LEU 19 7.545 -4.051 0.726
127 HB2 LEU 19 2HB LEU 19 5.369 -3.627 -0.443
128 HB3 LEU 19 1HB LEU 19 5.726 -1.902 -0.410
129 HG LEU 19 HG LEU 19 7.940 -2.546 -1.600
130 HD11 LEU 19 1HD1 LEU 19 7.667 -4.615 -3.014
131 HD12 LEU 19 2HD1 LEU 19 6.262 -5.034 -2.034
132 HD13 LEU 19 3HD1 LEU 19 7.859 -4.947 -1.293
133 HD21 LEU 19 3HD2 LEU 19 6.823 -2.449 -3.788
134 HD22 LEU 19 1HD2 LEU 19 6.042 -1.343 -2.658
135 HD23 LEU 19 2HD2 LEU 19 5.288 -2.891 -3.040
136 H LEU 20 H LEU 20 6.723 -0.751 1.750
137 HA LEU 20 HA LEU 20 9.041 0.599 0.704
138 HB2 LEU 20 2HB LEU 20 6.763 1.483 1.548
139 HB3 LEU 20 1HB LEU 20 7.460 1.362 3.164
140 HG LEU 20 HG LEU 20 9.471 2.678 1.976
141 HD11 LEU 20 1HD1 LEU 20 6.986 3.556 0.469
142 HD12 LEU 20 2HD1 LEU 20 8.358 2.699 -0.233
143 HD13 LEU 20 3HD1 LEU 20 8.566 4.335 0.389
144 HD21 LEU 20 3HD2 LEU 20 7.977 3.327 3.957
145 HD22 LEU 20 1HD2 LEU 20 6.947 4.147 2.783
146 HD23 LEU 20 2HD2 LEU 20 8.619 4.663 3.002
147 H THR 21 H THR 21 8.308 -0.754 3.948
148 HA THR 21 HA THR 21 10.821 -0.033 5.165
149 HB THR 21 HB THR 21 8.863 -2.255 5.835
150 HG1 THR 21 1HG THR 21 8.964 0.434 6.750
151 HG21 THR 21 3HG2 THR 21 10.627 -2.684 7.260
152 HG22 THR 21 1HG2 THR 21 9.757 -1.484 8.214
153 HG23 THR 21 2HG2 THR 21 11.169 -1.006 7.272
154 H LEU 22 H LEU 22 9.893 -2.706 3.069
155 HA LEU 22 HA LEU 22 11.888 -4.624 3.779
156 HB2 LEU 22 2HB LEU 22 9.788 -4.386 1.977
157 HB3 LEU 22 1HB LEU 22 11.203 -4.470 0.929
158 HG LEU 22 HG LEU 22 11.918 -6.461 2.466
159 HD11 LEU 22 1HD1 LEU 22 10.327 -6.384 4.209
160 HD12 LEU 22 2HD1 LEU 22 9.743 -7.688 3.178
161 HD13 LEU 22 3HD1 LEU 22 8.988 -6.096 3.099
162 HD21 LEU 22 3HD2 LEU 22 9.577 -6.709 0.546
163 HD22 LEU 22 1HD2 LEU 22 10.668 -8.013 1.013
164 HD23 LEU 22 2HD2 LEU 22 11.276 -6.647 0.079
165 H SER 23 H SER 23 11.947 -2.199 1.107
166 HA SER 23 HA SER 23 14.875 -1.905 1.461
167 HB2 SER 23 2HB SER 23 14.154 -3.891 -0.110
168 HB3 SER 23 1HB SER 23 13.826 -2.611 -1.271
169 HG SER 23 HG SER 23 15.956 -2.017 -1.187
170 HA PRO 24 HA PRO 24 12.708 1.941 0.058
171 HB2 PRO 24 2HB PRO 24 13.459 3.535 2.147
172 HB3 PRO 24 1HB PRO 24 12.014 2.507 2.184
173 HG2 PRO 24 2HG PRO 24 14.616 2.138 3.513
174 HG3 PRO 24 1HG PRO 24 13.006 1.585 3.991
175 HD2 PRO 24 2HD PRO 24 15.010 0.033 2.805
176 HD3 PRO 24 1HD PRO 24 13.302 -0.414 3.000
177 H HIS 25 H HIS 25 14.633 1.448 -1.475
178 HA HIS 25 HA HIS 25 16.561 2.124 -2.608
179 HB2 HIS 25 2HB HIS 25 15.275 4.474 -1.396
180 HB3 HIS 25 1HB HIS 25 16.982 4.729 -1.758
181 HD1 HIS 25 1HD HIS 25 13.748 3.691 -3.449
182 HD2 HIS 25 2HD HIS 25 17.576 4.984 -4.480
183 HE1 HIS 25 1HE HIS 25 13.713 4.105 -5.946
184 H TYR 26 H TYR 26 17.515 0.503 -0.920
185 HA TYR 26 HA TYR 26 19.275 1.688 1.129
186 HB2 TYR 26 2HB TYR 26 17.909 -0.604 1.013
187 HB3 TYR 26 1HB TYR 26 19.398 -1.174 0.264
188 HD1 TYR 26 1HD TYR 26 21.612 -0.745 1.491
189 HD2 TYR 26 2HD TYR 26 17.763 -0.332 3.355
190 HE1 TYR 26 1HE TYR 26 22.675 -0.908 3.726
191 HE2 TYR 26 2HE TYR 26 18.827 -0.495 5.588
192 HH TYR 26 HH TYR 26 21.584 0.089 6.355
193 H LYS 27 H LYS 27 19.594 0.094 -2.048
194 HA LYS 27 HA LYS 27 22.535 0.321 -2.004
195 HB2 LYS 27 2HB LYS 27 22.411 -0.950 -4.049
196 HB3 LYS 27 1HB LYS 27 21.247 -1.639 -2.927
197 HG2 LYS 27 2HG LYS 27 19.786 -1.463 -4.658
198 HG3 LYS 27 1HG LYS 27 19.712 0.243 -4.222
199 HD2 LYS 27 2HD LYS 27 21.870 0.392 -5.763
200 HD3 LYS 27 1HD LYS 27 21.198 -1.079 -6.464
201 HE2 LYS 27 2HE LYS 27 20.099 0.478 -7.783
202 HE3 LYS 27 1HE LYS 27 18.950 0.420 -6.433
203 HZ1 LYS 27 3HZ LYS 27 20.167 2.237 -5.366
204 HZ2 LYS 27 1HZ LYS 27 19.588 2.702 -6.892
205 HZ3 LYS 27 2HZ LYS 27 21.230 2.316 -6.694
Start of MODEL 29
1 H1 MET 1 1HT MET 1 -19.914 -2.359 6.663
2 H2 MET 1 2HT MET 1 -18.495 -1.921 5.829
3 H3 MET 1 3HT MET 1 -18.460 -3.171 6.977
4 HA MET 1 HA MET 1 -19.816 -4.585 5.601
5 HB2 MET 1 2HB MET 1 -20.399 -1.971 4.470
6 HB3 MET 1 1HB MET 1 -19.967 -3.113 3.201
7 HG2 MET 1 2HG MET 1 -21.898 -3.956 5.342
8 HG3 MET 1 1HG MET 1 -22.462 -2.961 4.000
9 HE1 MET 1 2HE MET 1 -23.893 -5.352 4.352
10 HE2 MET 1 3HE MET 1 -23.793 -6.370 2.920
11 HE3 MET 1 1HE MET 1 -24.058 -4.626 2.756
12 H ASP 2 H ASP 2 -18.669 -5.997 4.228
13 HA ASP 2 HA ASP 2 -15.850 -5.729 3.948
14 HB2 ASP 2 2HB ASP 2 -17.311 -7.817 3.913
15 HB3 ASP 2 1HB ASP 2 -17.672 -7.431 2.230
16 H ARG 3 H ARG 3 -18.376 -5.375 1.409
17 HA ARG 3 HA ARG 3 -16.517 -4.535 -0.656
18 HB2 ARG 3 2HB ARG 3 -18.809 -5.626 -0.896
19 HB3 ARG 3 1HB ARG 3 -19.504 -4.051 -0.510
20 HG2 ARG 3 2HG ARG 3 -17.533 -3.596 -2.503
21 HG3 ARG 3 1HG ARG 3 -18.465 -4.995 -3.029
22 HD2 ARG 3 2HD ARG 3 -19.637 -3.094 -3.894
23 HD3 ARG 3 1HD ARG 3 -20.568 -3.594 -2.470
24 HE ARG 3 HE ARG 3 -19.546 -1.766 -1.208
25 HH11 ARG 3 1HH2 ARG 3 -20.592 -0.474 -3.776
26 HH12 ARG 3 2HH2 ARG 3 -19.256 0.539 -4.204
27 HH21 ARG 3 1HH1 ARG 3 -17.016 -1.073 -2.077
28 HH22 ARG 3 2HH1 ARG 3 -17.217 0.199 -3.237
29 H GLU 4 H GLU 4 -18.557 -2.803 1.681
30 HA GLU 4 HA GLU 4 -18.502 -0.170 0.668
31 HB2 GLU 4 2HB GLU 4 -19.861 -0.728 2.534
32 HB3 GLU 4 1HB GLU 4 -18.508 -1.418 3.417
33 HG2 GLU 4 2HG GLU 4 -17.594 1.092 3.247
34 HG3 GLU 4 1HG GLU 4 -19.319 1.441 3.116
35 H MET 5 H MET 5 -16.180 -1.617 3.003
36 HA MET 5 HA MET 5 -14.285 0.598 2.559
37 HB2 MET 5 2HB MET 5 -13.022 -0.467 4.353
38 HB3 MET 5 1HB MET 5 -14.722 -0.397 4.800
39 HG2 MET 5 2HG MET 5 -14.928 -2.789 3.952
40 HG3 MET 5 1HG MET 5 -13.173 -2.807 3.821
41 HE1 MET 5 3HE MET 5 -11.694 -3.607 5.663
42 HE2 MET 5 1HE MET 5 -12.961 -4.785 5.277
43 HE3 MET 5 2HE MET 5 -12.497 -4.500 6.951
44 H ALA 6 H ALA 6 -14.638 -2.787 1.588
45 HA ALA 6 HA ALA 6 -13.448 -4.149 0.116
46 HB1 ALA 6 1HB ALA 6 -14.250 -2.226 -1.274
47 HB2 ALA 6 2HB ALA 6 -12.800 -3.005 -1.910
48 HB3 ALA 6 3HB ALA 6 -12.671 -1.468 -1.055
49 H ALA 7 H ALA 7 -11.946 -3.278 2.551
50 HA ALA 7 HA ALA 7 -9.790 -3.366 3.462
51 HB1 ALA 7 1HB ALA 7 -9.355 -4.980 0.941
52 HB2 ALA 7 2HB ALA 7 -10.098 -5.588 2.421
53 HB3 ALA 7 3HB ALA 7 -8.407 -5.084 2.423
54 H SER 8 H SER 8 -10.225 -0.985 1.885
55 HA SER 8 HA SER 8 -7.841 -0.532 0.211
56 HB2 SER 8 2HB SER 8 -10.058 0.437 -0.301
57 HB3 SER 8 1HB SER 8 -10.036 1.305 1.228
58 HG SER 8 HG SER 8 -9.318 2.480 -0.728
59 H ALA 9 H ALA 9 -9.096 1.084 3.171
60 HA ALA 9 HA ALA 9 -6.535 2.335 3.773
61 HB1 ALA 9 1HB ALA 9 -8.780 3.273 4.339
62 HB2 ALA 9 2HB ALA 9 -7.741 3.129 5.756
63 HB3 ALA 9 3HB ALA 9 -9.020 1.947 5.477
64 H GLY 10 H GLY 10 -8.442 -0.234 5.415
65 HA2 GLY 10 2HA GLY 10 -6.060 -1.026 6.977
66 HA3 GLY 10 1HA GLY 10 -7.696 -1.651 7.192
67 H GLY 11 H GLY 11 -5.020 -1.689 4.800
68 HA2 GLY 11 2HA GLY 11 -4.675 -4.413 4.558
69 HA3 GLY 11 1HA GLY 11 -6.053 -4.093 3.508
70 H ALA 12 H ALA 12 -5.727 -2.444 1.792
71 HA ALA 12 HA ALA 12 -3.438 -2.939 0.175
72 HB1 ALA 12 1HB ALA 12 -4.366 -0.658 -0.857
73 HB2 ALA 12 2HB ALA 12 -5.704 -0.997 0.239
74 HB3 ALA 12 3HB ALA 12 -5.263 -2.169 -1.003
75 H VAL 13 H VAL 13 -4.177 -0.039 2.163
76 HA VAL 13 HA VAL 13 -1.787 1.420 1.583
77 HB VAL 13 HB VAL 13 -3.634 1.361 3.997
78 HG11 VAL 13 1HG1 VAL 13 -1.489 2.366 4.644
79 HG12 VAL 13 2HG1 VAL 13 -2.725 3.615 4.509
80 HG13 VAL 13 3HG1 VAL 13 -1.533 3.413 3.225
81 HG21 VAL 13 3HG2 VAL 13 -4.403 2.033 1.575
82 HG22 VAL 13 1HG2 VAL 13 -3.490 3.509 1.891
83 HG23 VAL 13 2HG2 VAL 13 -4.842 3.068 2.933
84 H PHE 14 H PHE 14 -2.510 -1.018 4.083
85 HA PHE 14 HA PHE 14 -0.028 -0.828 5.524
86 HB2 PHE 14 2HB PHE 14 -2.276 -1.935 6.145
87 HB3 PHE 14 1HB PHE 14 -1.725 -3.308 5.185
88 HD1 PHE 14 2HD PHE 14 -1.007 -1.230 8.173
89 HD2 PHE 14 1HD PHE 14 0.037 -4.763 5.961
90 HE1 PHE 14 2HE PHE 14 0.358 -2.024 10.084
91 HE2 PHE 14 1HE PHE 14 1.401 -5.555 7.873
92 HZ PHE 14 HZ PHE 14 1.563 -4.187 9.935
93 H VAL 15 H VAL 15 -1.057 -2.863 2.758
94 HA VAL 15 HA VAL 15 1.292 -4.499 2.585
95 HB VAL 15 HB VAL 15 -0.706 -3.545 0.500
96 HG11 VAL 15 1HG1 VAL 15 0.029 -5.500 -0.827
97 HG12 VAL 15 2HG1 VAL 15 1.292 -5.826 0.360
98 HG13 VAL 15 3HG1 VAL 15 1.344 -4.347 -0.600
99 HG21 VAL 15 3HG2 VAL 15 -1.230 -5.077 2.658
100 HG22 VAL 15 1HG2 VAL 15 -0.642 -6.331 1.564
101 HG23 VAL 15 2HG2 VAL 15 -2.023 -5.334 1.106
102 H GLY 16 H GLY 16 0.514 -1.313 1.167
103 HA2 GLY 16 2HA GLY 16 2.875 -1.066 -0.446
104 HA3 GLY 16 1HA GLY 16 1.865 0.275 0.096
105 H LEU 17 H LEU 17 2.131 -0.057 2.901
106 HA LEU 17 HA LEU 17 4.630 1.290 3.400
107 HB2 LEU 17 2HB LEU 17 2.219 0.926 4.699
108 HB3 LEU 17 1HB LEU 17 3.324 -0.022 5.694
109 HG LEU 17 HG LEU 17 3.887 2.831 4.839
110 HD11 LEU 17 1HD1 LEU 17 3.237 3.445 7.156
111 HD12 LEU 17 2HD1 LEU 17 2.709 1.785 7.432
112 HD13 LEU 17 3HD1 LEU 17 1.878 2.789 6.243
113 HD21 LEU 17 3HD2 LEU 17 5.924 1.783 5.458
114 HD22 LEU 17 1HD2 LEU 17 5.156 0.861 6.751
115 HD23 LEU 17 2HD2 LEU 17 5.404 2.597 6.933
116 H VAL 18 H VAL 18 3.563 -2.087 3.996
117 HA VAL 18 HA VAL 18 5.913 -3.023 5.334
118 HB VAL 18 HB VAL 18 3.886 -4.372 3.509
119 HG11 VAL 18 1HG1 VAL 18 6.076 -5.643 3.680
120 HG12 VAL 18 2HG1 VAL 18 4.670 -6.509 4.297
121 HG13 VAL 18 3HG1 VAL 18 5.797 -5.748 5.419
122 HG21 VAL 18 3HG2 VAL 18 3.233 -3.314 5.786
123 HG22 VAL 18 1HG2 VAL 18 4.154 -4.633 6.506
124 HG23 VAL 18 2HG2 VAL 18 2.753 -4.984 5.496
125 H LEU 19 H LEU 19 5.133 -2.748 1.864
126 HA LEU 19 HA LEU 19 7.507 -4.016 0.833
127 HB2 LEU 19 2HB LEU 19 5.244 -3.390 -0.274
128 HB3 LEU 19 1HB LEU 19 5.947 -1.788 -0.486
129 HG LEU 19 HG LEU 19 7.961 -3.056 -1.543
130 HD11 LEU 19 1HD1 LEU 19 7.229 -5.180 -2.665
131 HD12 LEU 19 2HD1 LEU 19 5.761 -5.139 -1.687
132 HD13 LEU 19 3HD1 LEU 19 7.334 -5.313 -0.910
133 HD21 LEU 19 3HD2 LEU 19 6.506 -3.303 -3.728
134 HD22 LEU 19 1HD2 LEU 19 6.746 -1.708 -3.016
135 HD23 LEU 19 2HD2 LEU 19 5.240 -2.581 -2.736
136 H LEU 20 H LEU 20 6.715 -0.633 1.649
137 HA LEU 20 HA LEU 20 9.072 0.643 0.670
138 HB2 LEU 20 2HB LEU 20 6.820 1.554 1.602
139 HB3 LEU 20 1HB LEU 20 7.593 1.437 3.182
140 HG LEU 20 HG LEU 20 9.092 2.801 0.976
141 HD11 LEU 20 1HD1 LEU 20 6.932 4.161 2.611
142 HD12 LEU 20 2HD1 LEU 20 6.760 3.718 0.912
143 HD13 LEU 20 3HD1 LEU 20 7.968 4.909 1.395
144 HD21 LEU 20 3HD2 LEU 20 8.940 2.837 3.971
145 HD22 LEU 20 1HD2 LEU 20 9.498 4.290 3.144
146 HD23 LEU 20 2HD2 LEU 20 10.357 2.766 2.925
147 H THR 21 H THR 21 8.351 -0.770 3.886
148 HA THR 21 HA THR 21 10.925 -0.177 5.066
149 HB THR 21 HB THR 21 8.987 -2.385 5.806
150 HG1 THR 21 1HG THR 21 8.881 0.412 6.290
151 HG21 THR 21 3HG2 THR 21 9.777 -1.941 8.081
152 HG22 THR 21 1HG2 THR 21 10.817 -0.648 7.485
153 HG23 THR 21 2HG2 THR 21 11.141 -2.322 7.030
154 H LEU 22 H LEU 22 9.624 -2.966 3.282
155 HA LEU 22 HA LEU 22 11.697 -4.860 3.734
156 HB2 LEU 22 2HB LEU 22 9.436 -5.153 2.619
157 HB3 LEU 22 1HB LEU 22 10.126 -4.405 1.180
158 HG LEU 22 HG LEU 22 12.002 -6.232 1.482
159 HD11 LEU 22 1HD1 LEU 22 11.254 -7.113 3.618
160 HD12 LEU 22 2HD1 LEU 22 10.995 -8.350 2.389
161 HD13 LEU 22 3HD1 LEU 22 9.634 -7.397 2.979
162 HD21 LEU 22 3HD2 LEU 22 10.472 -7.847 0.184
163 HD22 LEU 22 1HD2 LEU 22 10.661 -6.228 -0.488
164 HD23 LEU 22 2HD2 LEU 22 9.202 -6.645 0.412
165 H SER 23 H SER 23 11.443 -2.238 1.309
166 HA SER 23 HA SER 23 14.020 -2.907 0.068
167 HB2 SER 23 2HB SER 23 11.786 -1.693 -0.817
168 HB3 SER 23 1HB SER 23 12.674 -0.264 -0.303
169 HG SER 23 HG SER 23 13.470 -0.566 -2.284
170 HA PRO 24 HA PRO 24 16.429 -0.539 2.948
171 HB2 PRO 24 2HB PRO 24 18.658 -0.100 1.422
172 HB3 PRO 24 1HB PRO 24 18.279 -1.671 2.156
173 HG2 PRO 24 2HG PRO 24 17.887 -0.755 -0.643
174 HG3 PRO 24 1HG PRO 24 18.406 -2.335 -0.030
175 HD2 PRO 24 2HD PRO 24 15.882 -1.824 -0.903
176 HD3 PRO 24 1HD PRO 24 16.268 -3.053 0.321
177 H HIS 25 H HIS 25 14.964 1.319 2.918
178 HA HIS 25 HA HIS 25 16.126 3.694 1.553
179 HB2 HIS 25 2HB HIS 25 14.294 2.427 0.193
180 HB3 HIS 25 1HB HIS 25 13.170 3.111 1.367
181 HD1 HIS 25 1HD HIS 25 13.246 5.807 1.584
182 HD2 HIS 25 2HD HIS 25 15.061 4.202 -1.808
183 HE1 HIS 25 1HE HIS 25 13.508 7.718 -0.061
184 H TYR 26 H TYR 26 16.501 3.503 4.168
185 HA TYR 26 HA TYR 26 14.390 5.228 5.426
186 HB2 TYR 26 2HB TYR 26 15.617 2.640 6.296
187 HB3 TYR 26 1HB TYR 26 15.247 3.828 7.542
188 HD1 TYR 26 1HD TYR 26 13.723 2.114 4.584
189 HD2 TYR 26 2HD TYR 26 13.053 4.008 8.380
190 HE1 TYR 26 1HE TYR 26 11.339 1.476 4.477
191 HE2 TYR 26 2HE TYR 26 10.660 3.362 8.272
192 HH TYR 26 HH TYR 26 8.999 2.804 6.113
193 H LYS 27 H LYS 27 15.253 7.066 6.310
194 HA LYS 27 HA LYS 27 18.171 7.459 6.289
195 HB2 LYS 27 2HB LYS 27 17.592 9.779 6.712
196 HB3 LYS 27 1HB LYS 27 16.519 9.143 5.473
197 HG2 LYS 27 2HG LYS 27 14.863 10.017 6.761
198 HG3 LYS 27 1HG LYS 27 15.097 8.580 7.755
199 HD2 LYS 27 2HD LYS 27 17.077 10.515 8.497
200 HD3 LYS 27 1HD LYS 27 15.503 11.310 8.487
201 HE2 LYS 27 2HE LYS 27 14.900 10.259 10.398
202 HE3 LYS 27 1HE LYS 27 15.291 8.674 9.704
203 HZ1 LYS 27 3HZ LYS 27 16.760 9.078 11.533
204 HZ2 LYS 27 1HZ LYS 27 17.203 10.596 10.926
205 HZ3 LYS 27 2HZ LYS 27 17.666 9.181 10.101
Start of MODEL 30
1 H1 MET 1 1HT MET 1 -14.700 -13.088 8.074
2 H2 MET 1 2HT MET 1 -13.562 -13.939 7.145
3 H3 MET 1 3HT MET 1 -15.044 -13.478 6.459
4 HA MET 1 HA MET 1 -12.957 -12.089 5.899
5 HB2 MET 1 2HB MET 1 -14.409 -10.106 5.760
6 HB3 MET 1 1HB MET 1 -15.303 -11.557 5.318
7 HG2 MET 1 2HG MET 1 -16.300 -11.643 7.571
8 HG3 MET 1 1HG MET 1 -15.371 -10.221 8.045
9 HE1 MET 1 2HE MET 1 -17.825 -9.243 8.800
10 HE2 MET 1 3HE MET 1 -18.104 -7.841 7.774
11 HE3 MET 1 1HE MET 1 -16.468 -8.223 8.334
12 H ASP 2 H ASP 2 -11.827 -10.161 6.633
13 HA ASP 2 HA ASP 2 -10.599 -8.878 8.148
14 HB2 ASP 2 2HB ASP 2 -13.078 -9.416 9.814
15 HB3 ASP 2 1HB ASP 2 -11.839 -8.238 10.231
16 H ARG 3 H ARG 3 -8.751 -9.957 8.756
17 HA ARG 3 HA ARG 3 -8.983 -12.070 10.872
18 HB2 ARG 3 2HB ARG 3 -8.192 -12.663 8.534
19 HB3 ARG 3 1HB ARG 3 -6.768 -11.670 8.849
20 HG2 ARG 3 2HG ARG 3 -7.255 -13.494 11.055
21 HG3 ARG 3 1HG ARG 3 -7.118 -14.376 9.534
22 HD2 ARG 3 2HD ARG 3 -4.961 -13.327 9.060
23 HD3 ARG 3 1HD ARG 3 -5.103 -12.319 10.515
24 HE ARG 3 HE ARG 3 -4.965 -15.310 10.614
25 HH11 ARG 3 1HH2 ARG 3 -5.871 -13.532 12.978
26 HH12 ARG 3 2HH2 ARG 3 -4.419 -13.479 13.919
27 HH21 ARG 3 1HH1 ARG 3 -2.413 -14.673 11.318
28 HH22 ARG 3 2HH1 ARG 3 -2.435 -14.138 12.964
29 H GLU 4 H GLU 4 -8.795 -10.619 12.668
30 HA GLU 4 HA GLU 4 -7.708 -9.231 14.237
31 HB2 GLU 4 2HB GLU 4 -5.583 -11.012 13.049
32 HB3 GLU 4 1HB GLU 4 -5.213 -9.909 14.372
33 HG2 GLU 4 2HG GLU 4 -7.464 -11.064 15.351
34 HG3 GLU 4 1HG GLU 4 -6.836 -12.397 14.385
35 H MET 5 H MET 5 -8.227 -7.775 11.958
36 HA MET 5 HA MET 5 -7.651 -5.800 10.841
37 HB2 MET 5 2HB MET 5 -6.328 -5.845 13.380
38 HB3 MET 5 1HB MET 5 -5.238 -5.104 12.214
39 HG2 MET 5 2HG MET 5 -8.138 -4.297 12.559
40 HG3 MET 5 1HG MET 5 -6.790 -3.471 13.336
41 HE1 MET 5 3HE MET 5 -4.910 -2.578 12.329
42 HE2 MET 5 1HE MET 5 -4.867 -1.705 10.788
43 HE3 MET 5 2HE MET 5 -4.446 -3.412 10.850
44 H ALA 6 H ALA 6 -6.680 -8.296 9.747
45 HA ALA 6 HA ALA 6 -3.898 -8.121 8.958
46 HB1 ALA 6 1HB ALA 6 -4.694 -9.834 7.244
47 HB2 ALA 6 2HB ALA 6 -6.314 -9.611 7.903
48 HB3 ALA 6 3HB ALA 6 -5.023 -10.237 8.929
49 H ALA 7 H ALA 7 -6.947 -7.132 7.359
50 HA ALA 7 HA ALA 7 -5.600 -5.061 5.829
51 HB1 ALA 7 1HB ALA 7 -6.338 -6.242 3.617
52 HB2 ALA 7 2HB ALA 7 -6.318 -7.709 4.598
53 HB3 ALA 7 3HB ALA 7 -4.845 -6.756 4.402
54 H SER 8 H SER 8 -7.391 -4.007 7.043
55 HA SER 8 HA SER 8 -9.990 -4.190 5.561
56 HB2 SER 8 2HB SER 8 -11.075 -3.777 7.795
57 HB3 SER 8 1HB SER 8 -10.224 -5.310 7.701
58 HG SER 8 HG SER 8 -9.883 -3.767 9.589
59 H ALA 9 H ALA 9 -10.410 -2.279 4.604
60 HA ALA 9 HA ALA 9 -10.574 0.009 4.170
61 HB1 ALA 9 1HB ALA 9 -9.763 0.479 7.049
62 HB2 ALA 9 2HB ALA 9 -11.368 -0.118 6.631
63 HB3 ALA 9 3HB ALA 9 -10.831 1.452 6.039
64 H GLY 10 H GLY 10 -7.905 -0.099 6.580
65 HA2 GLY 10 2HA GLY 10 -6.162 1.285 4.614
66 HA3 GLY 10 1HA GLY 10 -5.856 1.151 6.347
67 H GLY 11 H GLY 11 -6.892 -1.792 4.800
68 HA2 GLY 11 2HA GLY 11 -4.491 -3.191 5.497
69 HA3 GLY 11 1HA GLY 11 -5.774 -3.813 4.457
70 H ALA 12 H ALA 12 -5.787 -2.156 2.321
71 HA ALA 12 HA ALA 12 -3.620 -3.013 0.686
72 HB1 ALA 12 1HB ALA 12 -4.489 -1.254 -0.865
73 HB2 ALA 12 2HB ALA 12 -5.474 -0.619 0.453
74 HB3 ALA 12 3HB ALA 12 -5.779 -2.239 -0.176
75 H VAL 13 H VAL 13 -4.091 0.068 2.445
76 HA VAL 13 HA VAL 13 -1.733 1.420 1.535
77 HB VAL 13 HB VAL 13 -3.203 1.599 4.196
78 HG11 VAL 13 1HG1 VAL 13 -1.041 2.748 4.273
79 HG12 VAL 13 2HG1 VAL 13 -2.342 3.936 4.210
80 HG13 VAL 13 3HG1 VAL 13 -1.404 3.580 2.760
81 HG21 VAL 13 3HG2 VAL 13 -4.165 3.682 2.873
82 HG22 VAL 13 1HG2 VAL 13 -4.874 2.084 2.641
83 HG23 VAL 13 2HG2 VAL 13 -3.732 2.723 1.459
84 H PHE 14 H PHE 14 -2.311 -0.786 4.287
85 HA PHE 14 HA PHE 14 0.296 -0.621 5.473
86 HB2 PHE 14 2HB PHE 14 -2.085 -1.757 6.118
87 HB3 PHE 14 1HB PHE 14 -1.200 -3.189 5.589
88 HD1 PHE 14 1HD PHE 14 0.960 -3.805 6.681
89 HD2 PHE 14 2HD PHE 14 -1.503 -0.604 8.146
90 HE1 PHE 14 1HE PHE 14 2.192 -3.841 8.832
91 HE2 PHE 14 2HE PHE 14 -0.272 -0.639 10.295
92 HZ PHE 14 HZ PHE 14 1.578 -2.258 10.639
93 H VAL 15 H VAL 15 -1.033 -2.735 2.914
94 HA VAL 15 HA VAL 15 1.169 -4.539 2.640
95 HB VAL 15 HB VAL 15 -0.765 -3.414 0.572
96 HG11 VAL 15 1HG1 VAL 15 -0.284 -5.451 -0.715
97 HG12 VAL 15 2HG1 VAL 15 0.888 -5.959 0.503
98 HG13 VAL 15 3HG1 VAL 15 1.193 -4.518 -0.468
99 HG21 VAL 15 3HG2 VAL 15 -1.208 -6.146 1.499
100 HG22 VAL 15 1HG2 VAL 15 -2.335 -4.792 1.440
101 HG23 VAL 15 2HG2 VAL 15 -1.271 -4.994 2.831
102 H GLY 16 H GLY 16 0.522 -1.362 1.130
103 HA2 GLY 16 2HA GLY 16 2.909 -1.258 -0.468
104 HA3 GLY 16 1HA GLY 16 1.931 0.135 0.001
105 H LEU 17 H LEU 17 2.140 -0.234 2.852
106 HA LEU 17 HA LEU 17 4.585 1.165 3.429
107 HB2 LEU 17 2HB LEU 17 2.441 -0.220 5.036
108 HB3 LEU 17 1HB LEU 17 3.851 0.465 5.838
109 HG LEU 17 HG LEU 17 2.088 2.049 3.949
110 HD11 LEU 17 1HD1 LEU 17 2.043 2.117 6.978
111 HD12 LEU 17 2HD1 LEU 17 0.892 1.187 6.018
112 HD13 LEU 17 3HD1 LEU 17 0.950 2.943 5.866
113 HD21 LEU 17 3HD2 LEU 17 4.322 2.708 5.885
114 HD22 LEU 17 1HD2 LEU 17 3.188 3.937 5.327
115 HD23 LEU 17 2HD2 LEU 17 4.217 3.098 4.169
116 H VAL 18 H VAL 18 3.615 -2.256 3.848
117 HA VAL 18 HA VAL 18 5.965 -3.204 5.174
118 HB VAL 18 HB VAL 18 3.891 -4.445 3.343
119 HG11 VAL 18 1HG1 VAL 18 5.650 -5.963 3.007
120 HG12 VAL 18 2HG1 VAL 18 4.817 -6.649 4.401
121 HG13 VAL 18 3HG1 VAL 18 6.299 -5.720 4.629
122 HG21 VAL 18 3HG2 VAL 18 3.089 -5.436 5.443
123 HG22 VAL 18 1HG2 VAL 18 3.191 -3.683 5.601
124 HG23 VAL 18 2HG2 VAL 18 4.434 -4.705 6.320
125 H LEU 19 H LEU 19 5.193 -2.802 1.719
126 HA LEU 19 HA LEU 19 7.586 -3.984 0.634
127 HB2 LEU 19 2HB LEU 19 5.360 -3.413 -0.484
128 HB3 LEU 19 1HB LEU 19 5.902 -1.738 -0.517
129 HG LEU 19 HG LEU 19 7.832 -3.734 -1.574
130 HD11 LEU 19 1HD1 LEU 19 5.295 -2.999 -3.073
131 HD12 LEU 19 2HD1 LEU 19 5.696 -4.604 -2.457
132 HD13 LEU 19 3HD1 LEU 19 6.667 -3.885 -3.741
133 HD21 LEU 19 3HD2 LEU 19 7.517 -1.734 -3.425
134 HD22 LEU 19 1HD2 LEU 19 8.635 -1.652 -2.062
135 HD23 LEU 19 2HD2 LEU 19 7.042 -0.903 -1.944
136 H LEU 20 H LEU 20 6.715 -0.620 1.501
137 HA LEU 20 HA LEU 20 9.211 0.587 0.695
138 HB2 LEU 20 2HB LEU 20 6.759 1.490 1.356
139 HB3 LEU 20 1HB LEU 20 7.565 1.738 2.905
140 HG LEU 20 HG LEU 20 9.407 2.940 1.639
141 HD11 LEU 20 1HD1 LEU 20 7.389 2.570 -0.581
142 HD12 LEU 20 2HD1 LEU 20 9.109 2.182 -0.597
143 HD13 LEU 20 3HD1 LEU 20 8.585 3.866 -0.613
144 HD21 LEU 20 3HD2 LEU 20 6.648 4.166 1.327
145 HD22 LEU 20 1HD2 LEU 20 8.177 5.022 1.533
146 HD23 LEU 20 2HD2 LEU 20 7.510 4.078 2.864
147 H THR 21 H THR 21 8.063 -0.875 3.726
148 HA THR 21 HA THR 21 10.275 -0.022 5.386
149 HB THR 21 HB THR 21 8.224 -2.256 5.537
150 HG1 THR 21 1HG THR 21 7.230 -0.391 5.932
151 HG21 THR 21 3HG2 THR 21 8.916 -2.245 8.026
152 HG22 THR 21 1HG2 THR 21 10.413 -1.497 7.468
153 HG23 THR 21 2HG2 THR 21 9.962 -3.103 6.894
154 H LEU 22 H LEU 22 9.666 -2.895 3.354
155 HA LEU 22 HA LEU 22 11.912 -4.482 4.117
156 HB2 LEU 22 2HB LEU 22 9.940 -5.180 2.753
157 HB3 LEU 22 1HB LEU 22 10.552 -4.214 1.412
158 HG LEU 22 HG LEU 22 12.539 -6.074 2.548
159 HD11 LEU 22 1HD1 LEU 22 10.440 -7.409 2.775
160 HD12 LEU 22 2HD1 LEU 22 11.559 -8.090 1.594
161 HD13 LEU 22 3HD1 LEU 22 10.147 -7.184 1.050
162 HD21 LEU 22 3HD2 LEU 22 11.991 -4.705 0.119
163 HD22 LEU 22 1HD2 LEU 22 11.915 -6.428 -0.248
164 HD23 LEU 22 2HD2 LEU 22 13.370 -5.743 0.477
165 H SER 23 H SER 23 11.594 -2.011 1.531
166 HA SER 23 HA SER 23 14.378 -2.234 0.693
167 HB2 SER 23 2HB SER 23 13.560 0.137 -0.318
168 HB3 SER 23 1HB SER 23 13.114 -1.401 -1.033
169 HG SER 23 HG SER 23 11.613 0.129 0.853
170 HA PRO 24 HA PRO 24 16.203 0.493 3.648
171 HB2 PRO 24 2HB PRO 24 18.185 1.676 2.189
172 HB3 PRO 24 1HB PRO 24 18.240 -0.016 2.722
173 HG2 PRO 24 2HG PRO 24 17.586 1.101 0.056
174 HG3 PRO 24 1HG PRO 24 18.451 -0.384 0.483
175 HD2 PRO 24 2HD PRO 24 15.840 -0.297 -0.345
176 HD3 PRO 24 1HD PRO 24 16.543 -1.604 0.633
177 H HIS 25 H HIS 25 13.867 1.666 2.970
178 HA HIS 25 HA HIS 25 14.545 4.559 2.613
179 HB2 HIS 25 2HB HIS 25 13.429 3.018 0.662
180 HB3 HIS 25 1HB HIS 25 11.977 3.555 1.507
181 HD1 HIS 25 1HD HIS 25 14.814 4.788 -0.587
182 HD2 HIS 25 2HD HIS 25 11.528 6.388 1.421
183 HE1 HIS 25 1HE HIS 25 14.570 7.176 -1.400
184 H TYR 26 H TYR 26 13.825 2.703 4.976
185 HA TYR 26 HA TYR 26 11.466 4.257 5.979
186 HB2 TYR 26 2HB TYR 26 11.509 1.605 5.320
187 HB3 TYR 26 1HB TYR 26 11.967 1.529 7.020
188 HD1 TYR 26 1HD TYR 26 9.393 2.871 4.674
189 HD2 TYR 26 2HD TYR 26 10.366 1.861 8.737
190 HE1 TYR 26 1HE TYR 26 7.027 3.226 5.332
191 HE2 TYR 26 2HE TYR 26 8.002 2.214 9.389
192 HH TYR 26 HH TYR 26 5.592 2.096 7.716
193 H LYS 27 H LYS 27 11.414 4.219 8.438
194 HA LYS 27 HA LYS 27 14.179 4.539 9.533
195 HB2 LYS 27 2HB LYS 27 13.179 6.132 11.059
196 HB3 LYS 27 1HB LYS 27 12.651 6.513 9.425
197 HG2 LYS 27 2HG LYS 27 10.501 6.321 10.056
198 HG3 LYS 27 1HG LYS 27 10.777 4.656 10.562
199 HD2 LYS 27 2HD LYS 27 11.704 6.861 12.365
200 HD3 LYS 27 1HD LYS 27 9.981 6.498 12.304
201 HE2 LYS 27 2HE LYS 27 11.155 3.973 12.492
202 HE3 LYS 27 1HE LYS 27 12.138 4.977 13.575
203 HZ1 LYS 27 3HZ LYS 27 9.173 4.757 13.575
204 HZ2 LYS 27 1HZ LYS 27 10.049 5.857 14.523
205 HZ3 LYS 27 2HZ LYS 27 10.234 4.189 14.775
Start of MODEL 31
1 H1 MET 1 1HT MET 1 -6.391 -16.644 0.491
2 H2 MET 1 2HT MET 1 -7.760 -17.496 1.022
3 H3 MET 1 3HT MET 1 -7.774 -16.707 -0.485
4 HA MET 1 HA MET 1 -6.004 -19.008 0.206
5 HB2 MET 1 2HB MET 1 -8.768 -18.719 -0.853
6 HB3 MET 1 1HB MET 1 -7.741 -19.880 -1.690
7 HG2 MET 1 2HG MET 1 -8.459 -21.297 -0.054
8 HG3 MET 1 1HG MET 1 -7.180 -20.533 0.887
9 HE1 MET 1 2HE MET 1 -11.707 -19.901 1.121
10 HE2 MET 1 3HE MET 1 -10.841 -21.306 0.507
11 HE3 MET 1 1HE MET 1 -10.797 -19.772 -0.380
12 H ASP 2 H ASP 2 -5.070 -19.922 -1.821
13 HA ASP 2 HA ASP 2 -3.721 -19.687 -3.727
14 HB2 ASP 2 2HB ASP 2 -6.241 -18.160 -4.406
15 HB3 ASP 2 1HB ASP 2 -5.007 -18.563 -5.599
16 H ARG 3 H ARG 3 -3.041 -17.812 -1.675
17 HA ARG 3 HA ARG 3 -1.757 -15.887 -1.325
18 HB2 ARG 3 2HB ARG 3 -1.281 -16.785 -4.108
19 HB3 ARG 3 1HB ARG 3 -0.757 -15.142 -3.742
20 HG2 ARG 3 2HG ARG 3 -0.088 -17.290 -1.774
21 HG3 ARG 3 1HG ARG 3 0.828 -17.234 -3.280
22 HD2 ARG 3 2HD ARG 3 1.776 -15.163 -2.793
23 HD3 ARG 3 1HD ARG 3 0.434 -14.682 -1.737
24 HE ARG 3 HE ARG 3 1.366 -16.014 0.028
25 HH11 ARG 3 1HH2 ARG 3 3.920 -14.819 -1.084
26 HH12 ARG 3 2HH2 ARG 3 4.936 -16.215 -1.210
27 HH21 ARG 3 1HH1 ARG 3 2.295 -18.474 -0.935
28 HH22 ARG 3 2HH1 ARG 3 4.008 -18.305 -1.123
29 H GLU 4 H GLU 4 -4.739 -15.603 -2.319
30 HA GLU 4 HA GLU 4 -4.677 -12.912 -3.554
31 HB2 GLU 4 2HB GLU 4 -6.897 -14.790 -2.668
32 HB3 GLU 4 1HB GLU 4 -7.178 -13.242 -3.461
33 HG2 GLU 4 2HG GLU 4 -5.933 -13.987 -5.433
34 HG3 GLU 4 1HG GLU 4 -5.557 -15.519 -4.642
35 H MET 5 H MET 5 -6.068 -14.401 -0.601
36 HA MET 5 HA MET 5 -6.389 -11.768 0.696
37 HB2 MET 5 2HB MET 5 -7.084 -14.636 1.303
38 HB3 MET 5 1HB MET 5 -7.215 -13.405 2.557
39 HG2 MET 5 2HG MET 5 -9.059 -12.474 1.618
40 HG3 MET 5 1HG MET 5 -8.412 -12.611 -0.017
41 HE1 MET 5 3HE MET 5 -11.373 -12.965 0.475
42 HE2 MET 5 1HE MET 5 -11.767 -14.449 -0.410
43 HE3 MET 5 2HE MET 5 -10.647 -13.279 -1.099
44 H ALA 6 H ALA 6 -3.641 -13.415 0.199
45 HA ALA 6 HA ALA 6 -2.618 -13.510 2.978
46 HB1 ALA 6 1HB ALA 6 -2.108 -15.311 1.388
47 HB2 ALA 6 2HB ALA 6 -0.628 -14.455 1.815
48 HB3 ALA 6 3HB ALA 6 -1.410 -14.144 0.265
49 H ALA 7 H ALA 7 -1.886 -11.836 -0.112
50 HA ALA 7 HA ALA 7 -0.134 -9.899 1.320
51 HB1 ALA 7 1HB ALA 7 0.776 -10.938 -0.654
52 HB2 ALA 7 2HB ALA 7 0.416 -9.261 -1.061
53 HB3 ALA 7 3HB ALA 7 -0.668 -10.548 -1.588
54 H SER 8 H SER 8 -3.274 -10.074 -0.305
55 HA SER 8 HA SER 8 -3.552 -7.148 -0.505
56 HB2 SER 8 2HB SER 8 -5.683 -9.251 -0.899
57 HB3 SER 8 1HB SER 8 -5.580 -7.658 -1.631
58 HG SER 8 HG SER 8 -4.355 -10.043 -2.311
59 H ALA 9 H ALA 9 -3.375 -8.604 2.275
60 HA ALA 9 HA ALA 9 -6.035 -7.858 3.389
61 HB1 ALA 9 1HB ALA 9 -4.858 -9.004 5.438
62 HB2 ALA 9 2HB ALA 9 -3.702 -9.556 4.228
63 HB3 ALA 9 3HB ALA 9 -5.404 -9.993 4.086
64 H GLY 10 H GLY 10 -3.687 -5.898 2.634
65 HA2 GLY 10 2HA GLY 10 -3.286 -4.668 5.326
66 HA3 GLY 10 1HA GLY 10 -2.278 -4.356 3.920
67 H GLY 11 H GLY 11 -5.723 -4.418 3.394
68 HA2 GLY 11 2HA GLY 11 -7.216 -2.737 2.793
69 HA3 GLY 11 1HA GLY 11 -6.426 -1.764 4.027
70 H ALA 12 H ALA 12 -4.624 -2.957 1.234
71 HA ALA 12 HA ALA 12 -3.568 -1.848 -0.536
72 HB1 ALA 12 1HB ALA 12 -4.946 -0.405 -1.769
73 HB2 ALA 12 2HB ALA 12 -5.693 0.274 -0.324
74 HB3 ALA 12 3HB ALA 12 -6.111 -1.356 -0.849
75 H VAL 13 H VAL 13 -3.346 -0.809 2.482
76 HA VAL 13 HA VAL 13 -1.746 1.646 1.835
77 HB VAL 13 HB VAL 13 -3.515 0.969 4.223
78 HG11 VAL 13 1HG1 VAL 13 -1.792 3.416 3.699
79 HG12 VAL 13 2HG1 VAL 13 -1.524 2.210 4.957
80 HG13 VAL 13 3HG1 VAL 13 -2.942 3.255 5.025
81 HG21 VAL 13 3HG2 VAL 13 -3.733 2.986 1.968
82 HG22 VAL 13 1HG2 VAL 13 -4.687 3.104 3.447
83 HG23 VAL 13 2HG2 VAL 13 -4.874 1.709 2.387
84 H PHE 14 H PHE 14 -2.340 -0.810 4.360
85 HA PHE 14 HA PHE 14 0.223 -0.793 5.603
86 HB2 PHE 14 2HB PHE 14 -2.057 -1.805 6.295
87 HB3 PHE 14 1HB PHE 14 -1.618 -3.176 5.283
88 HD1 PHE 14 2HD PHE 14 -0.790 -1.293 8.347
89 HD2 PHE 14 1HD PHE 14 0.201 -4.682 5.899
90 HE1 PHE 14 2HE PHE 14 0.593 -2.217 10.185
91 HE2 PHE 14 1HE PHE 14 1.584 -5.606 7.739
92 HZ PHE 14 HZ PHE 14 1.780 -4.374 9.882
93 H VAL 15 H VAL 15 -1.053 -2.650 2.836
94 HA VAL 15 HA VAL 15 1.111 -4.466 2.432
95 HB VAL 15 HB VAL 15 -0.765 -3.135 0.432
96 HG11 VAL 15 1HG1 VAL 15 0.719 -4.202 -0.977
97 HG12 VAL 15 2HG1 VAL 15 -0.337 -5.565 -0.607
98 HG13 VAL 15 3HG1 VAL 15 1.199 -5.383 0.241
99 HG21 VAL 15 3HG2 VAL 15 -1.023 -5.488 2.295
100 HG22 VAL 15 1HG2 VAL 15 -1.896 -5.484 0.763
101 HG23 VAL 15 2HG2 VAL 15 -2.189 -4.211 1.947
102 H GLY 16 H GLY 16 0.546 -1.195 1.079
103 HA2 GLY 16 2HA GLY 16 2.931 -1.060 -0.492
104 HA3 GLY 16 1HA GLY 16 1.999 0.330 0.062
105 H LEU 17 H LEU 17 2.245 -0.127 2.887
106 HA LEU 17 HA LEU 17 4.801 1.109 3.410
107 HB2 LEU 17 2HB LEU 17 2.463 1.080 4.672
108 HB3 LEU 17 1HB LEU 17 3.204 -0.265 5.540
109 HG LEU 17 HG LEU 17 5.257 1.384 5.737
110 HD11 LEU 17 1HD1 LEU 17 2.992 3.380 5.669
111 HD12 LEU 17 2HD1 LEU 17 3.982 3.061 4.246
112 HD13 LEU 17 3HD1 LEU 17 4.726 3.692 5.713
113 HD21 LEU 17 3HD2 LEU 17 2.691 1.599 7.344
114 HD22 LEU 17 1HD2 LEU 17 4.234 2.282 7.859
115 HD23 LEU 17 2HD2 LEU 17 4.061 0.537 7.671
116 H VAL 18 H VAL 18 3.612 -2.254 3.861
117 HA VAL 18 HA VAL 18 5.894 -3.299 5.232
118 HB VAL 18 HB VAL 18 3.848 -4.487 3.327
119 HG11 VAL 18 1HG1 VAL 18 5.646 -6.017 3.119
120 HG12 VAL 18 2HG1 VAL 18 4.639 -6.706 4.391
121 HG13 VAL 18 3HG1 VAL 18 6.111 -5.829 4.811
122 HG21 VAL 18 3HG2 VAL 18 2.819 -5.329 5.336
123 HG22 VAL 18 1HG2 VAL 18 3.171 -3.624 5.622
124 HG23 VAL 18 2HG2 VAL 18 4.213 -4.867 6.312
125 H LEU 19 H LEU 19 5.184 -2.960 1.759
126 HA LEU 19 HA LEU 19 7.632 -4.150 0.769
127 HB2 LEU 19 2HB LEU 19 5.363 -3.743 -0.374
128 HB3 LEU 19 1HB LEU 19 5.880 -2.070 -0.566
129 HG LEU 19 HG LEU 19 7.875 -4.075 -1.427
130 HD11 LEU 19 1HD1 LEU 19 5.674 -5.104 -2.114
131 HD12 LEU 19 2HD1 LEU 19 6.735 -4.695 -3.461
132 HD13 LEU 19 3HD1 LEU 19 5.365 -3.656 -3.073
133 HD21 LEU 19 3HD2 LEU 19 8.132 -2.485 -3.263
134 HD22 LEU 19 1HD2 LEU 19 8.049 -1.593 -1.745
135 HD23 LEU 19 2HD2 LEU 19 6.640 -1.665 -2.804
136 H LEU 20 H LEU 20 6.614 -0.858 1.609
137 HA LEU 20 HA LEU 20 8.924 0.558 0.611
138 HB2 LEU 20 2HB LEU 20 6.461 1.040 2.102
139 HB3 LEU 20 1HB LEU 20 7.790 2.007 2.728
140 HG LEU 20 HG LEU 20 7.278 1.847 -0.237
141 HD11 LEU 20 1HD1 LEU 20 5.167 2.598 0.482
142 HD12 LEU 20 2HD1 LEU 20 6.052 4.098 0.200
143 HD13 LEU 20 3HD1 LEU 20 5.845 3.492 1.843
144 HD21 LEU 20 3HD2 LEU 20 8.338 4.120 -0.105
145 HD22 LEU 20 1HD2 LEU 20 9.392 2.832 0.475
146 HD23 LEU 20 2HD2 LEU 20 8.558 3.874 1.628
147 H THR 21 H THR 21 8.056 -0.734 3.840
148 HA THR 21 HA THR 21 10.435 0.253 5.174
149 HB THR 21 HB THR 21 8.567 -2.015 5.937
150 HG1 THR 21 1HG THR 21 7.207 -0.380 5.865
151 HG21 THR 21 3HG2 THR 21 10.410 -0.230 7.544
152 HG22 THR 21 1HG2 THR 21 10.536 -1.978 7.341
153 HG23 THR 21 2HG2 THR 21 9.194 -1.289 8.256
154 H LEU 22 H LEU 22 9.888 -2.515 3.110
155 HA LEU 22 HA LEU 22 11.986 -4.208 4.208
156 HB2 LEU 22 2HB LEU 22 9.886 -4.368 2.313
157 HB3 LEU 22 1HB LEU 22 11.373 -4.737 1.442
158 HG LEU 22 HG LEU 22 11.786 -6.166 3.717
159 HD11 LEU 22 1HD1 LEU 22 8.800 -6.250 3.177
160 HD12 LEU 22 2HD1 LEU 22 9.567 -5.602 4.627
161 HD13 LEU 22 3HD1 LEU 22 9.673 -7.326 4.268
162 HD21 LEU 22 3HD2 LEU 22 10.946 -8.135 2.382
163 HD22 LEU 22 1HD2 LEU 22 12.034 -7.077 1.483
164 HD23 LEU 22 2HD2 LEU 22 10.294 -6.994 1.206
165 H SER 23 H SER 23 12.033 -1.435 2.102
166 HA SER 23 HA SER 23 13.738 -0.396 0.889
167 HB2 SER 23 2HB SER 23 15.376 -2.129 2.766
168 HB3 SER 23 1HB SER 23 16.025 -0.806 1.809
169 HG SER 23 HG SER 23 14.917 0.618 3.021
170 HA PRO 24 HA PRO 24 14.136 -4.204 -1.786
171 HB2 PRO 24 2HB PRO 24 12.814 -3.162 -3.945
172 HB3 PRO 24 1HB PRO 24 11.989 -4.016 -2.624
173 HG2 PRO 24 2HG PRO 24 12.254 -1.090 -3.101
174 HG3 PRO 24 1HG PRO 24 10.856 -2.022 -2.532
175 HD2 PRO 24 2HD PRO 24 12.431 -0.590 -0.866
176 HD3 PRO 24 1HD PRO 24 11.599 -2.080 -0.364
177 H HIS 25 H HIS 25 16.311 -4.026 -2.256
178 HA HIS 25 HA HIS 25 17.169 -1.834 -4.123
179 HB2 HIS 25 2HB HIS 25 18.520 -3.064 -1.713
180 HB3 HIS 25 1HB HIS 25 19.389 -2.075 -2.884
181 HD1 HIS 25 1HD HIS 25 17.470 0.198 -3.420
182 HD2 HIS 25 2HD HIS 25 18.042 -1.365 0.402
183 HE1 HIS 25 1HE HIS 25 16.755 2.001 -1.796
184 H TYR 26 H TYR 26 17.855 -5.190 -3.047
185 HA TYR 26 HA TYR 26 18.787 -7.022 -4.169
186 HB2 TYR 26 2HB TYR 26 17.788 -5.426 -6.558
187 HB3 TYR 26 1HB TYR 26 18.229 -7.128 -6.588
188 HD1 TYR 26 1HD TYR 26 16.899 -8.788 -5.245
189 HD2 TYR 26 2HD TYR 26 15.674 -4.694 -5.696
190 HE1 TYR 26 1HE TYR 26 14.610 -9.390 -4.506
191 HE2 TYR 26 2HE TYR 26 13.387 -5.297 -4.956
192 HH TYR 26 HH TYR 26 12.084 -8.014 -5.044
193 H LYS 27 H LYS 27 20.824 -5.696 -3.323
194 HA LYS 27 HA LYS 27 22.653 -5.244 -5.661
195 HB2 LYS 27 2HB LYS 27 22.233 -3.698 -3.101
196 HB3 LYS 27 1HB LYS 27 23.739 -3.569 -4.006
197 HG2 LYS 27 2HG LYS 27 22.640 -2.697 -5.928
198 HG3 LYS 27 1HG LYS 27 21.049 -3.159 -5.323
199 HD2 LYS 27 2HD LYS 27 21.500 -1.567 -3.362
200 HD3 LYS 27 1HD LYS 27 22.849 -0.949 -4.317
201 HE2 LYS 27 2HE LYS 27 21.286 -0.421 -6.178
202 HE3 LYS 27 1HE LYS 27 19.932 -0.987 -5.181
203 HZ1 LYS 27 3HZ LYS 27 20.653 0.614 -3.453
204 HZ2 LYS 27 1HZ LYS 27 20.137 1.363 -4.882
205 HZ3 LYS 27 2HZ LYS 27 21.799 1.243 -4.544
Start of MODEL 32
1 H1 MET 1 1HT MET 1 -3.279 3.883 15.858
2 H2 MET 1 2HT MET 1 -3.144 3.579 14.193
3 H3 MET 1 3HT MET 1 -1.882 4.353 15.018
4 HA MET 1 HA MET 1 -2.001 1.691 14.473
5 HB2 MET 1 2HB MET 1 -0.136 3.331 15.231
6 HB3 MET 1 1HB MET 1 -0.569 2.848 16.871
7 HG2 MET 1 2HG MET 1 -0.012 0.566 16.454
8 HG3 MET 1 1HG MET 1 0.076 0.831 14.713
9 HE1 MET 1 2HE MET 1 1.635 2.029 18.172
10 HE2 MET 1 3HE MET 1 3.242 1.377 17.873
11 HE3 MET 1 1HE MET 1 1.822 0.319 17.799
12 H ASP 2 H ASP 2 -4.192 0.986 15.143
13 HA ASP 2 HA ASP 2 -4.160 -0.276 17.799
14 HB2 ASP 2 2HB ASP 2 -4.961 2.067 18.150
15 HB3 ASP 2 1HB ASP 2 -6.289 1.760 17.036
16 H ARG 3 H ARG 3 -7.117 0.457 15.945
17 HA ARG 3 HA ARG 3 -7.648 -2.410 15.589
18 HB2 ARG 3 2HB ARG 3 -9.069 0.170 14.885
19 HB3 ARG 3 1HB ARG 3 -9.716 -1.409 14.439
20 HG2 ARG 3 2HG ARG 3 -9.011 -1.664 17.144
21 HG3 ARG 3 1HG ARG 3 -9.763 -0.075 17.021
22 HD2 ARG 3 2HD ARG 3 -11.763 -1.035 16.004
23 HD3 ARG 3 1HD ARG 3 -11.004 -2.641 15.957
24 HE ARG 3 HE ARG 3 -10.916 -2.563 18.456
25 HH11 ARG 3 1HH2 ARG 3 -13.786 -2.729 17.852
26 HH12 ARG 3 2HH2 ARG 3 -14.456 -1.388 18.718
27 HH21 ARG 3 1HH1 ARG 3 -11.384 0.216 19.110
28 HH22 ARG 3 2HH1 ARG 3 -13.081 0.298 19.438
29 H GLU 4 H GLU 4 -6.603 0.310 13.598
30 HA GLU 4 HA GLU 4 -6.987 -0.657 10.982
31 HB2 GLU 4 2HB GLU 4 -5.004 0.836 10.473
32 HB3 GLU 4 1HB GLU 4 -6.300 1.596 11.392
33 HG2 GLU 4 2HG GLU 4 -4.994 1.883 13.229
34 HG3 GLU 4 1HG GLU 4 -4.260 0.291 13.074
35 H MET 5 H MET 5 -4.508 -1.658 13.322
36 HA MET 5 HA MET 5 -2.667 -2.880 11.489
37 HB2 MET 5 2HB MET 5 -3.363 -3.136 14.404
38 HB3 MET 5 1HB MET 5 -2.248 -4.296 13.683
39 HG2 MET 5 2HG MET 5 -1.551 -1.625 12.833
40 HG3 MET 5 1HG MET 5 -1.645 -1.688 14.593
41 HE1 MET 5 3HE MET 5 0.926 -0.909 13.935
42 HE2 MET 5 1HE MET 5 0.892 -1.460 12.251
43 HE3 MET 5 2HE MET 5 2.151 -2.025 13.342
44 H ALA 6 H ALA 6 -5.632 -4.068 13.053
45 HA ALA 6 HA ALA 6 -5.373 -6.827 12.171
46 HB1 ALA 6 1HB ALA 6 -7.881 -5.283 12.907
47 HB2 ALA 6 2HB ALA 6 -6.745 -5.893 14.110
48 HB3 ALA 6 3HB ALA 6 -7.609 -7.019 13.063
49 H ALA 7 H ALA 7 -7.074 -3.929 10.955
50 HA ALA 7 HA ALA 7 -8.193 -5.318 8.619
51 HB1 ALA 7 1HB ALA 7 -8.960 -2.999 8.089
52 HB2 ALA 7 2HB ALA 7 -8.021 -2.407 9.458
53 HB3 ALA 7 3HB ALA 7 -9.382 -3.498 9.726
54 H SER 8 H SER 8 -5.116 -4.009 9.356
55 HA SER 8 HA SER 8 -3.231 -3.504 8.105
56 HB2 SER 8 2HB SER 8 -4.797 -5.075 6.033
57 HB3 SER 8 1HB SER 8 -3.069 -4.748 5.974
58 HG SER 8 HG SER 8 -2.971 -6.539 7.118
59 H ALA 9 H ALA 9 -4.679 -1.318 8.313
60 HA ALA 9 HA ALA 9 -5.409 0.700 7.341
61 HB1 ALA 9 1HB ALA 9 -3.593 1.664 6.253
62 HB2 ALA 9 2HB ALA 9 -3.236 0.203 5.338
63 HB3 ALA 9 3HB ALA 9 -2.829 0.289 7.049
64 H GLY 10 H GLY 10 -7.288 -0.905 6.496
65 HA2 GLY 10 2HA GLY 10 -8.936 -1.061 4.825
66 HA3 GLY 10 1HA GLY 10 -7.956 0.006 3.822
67 H GLY 11 H GLY 11 -6.423 -2.858 5.084
68 HA2 GLY 11 2HA GLY 11 -5.535 -4.728 4.042
69 HA3 GLY 11 1HA GLY 11 -7.050 -4.797 3.142
70 H ALA 12 H ALA 12 -4.671 -2.152 3.013
71 HA ALA 12 HA ALA 12 -3.553 -3.025 0.442
72 HB1 ALA 12 1HB ALA 12 -5.714 -2.244 -0.303
73 HB2 ALA 12 2HB ALA 12 -4.529 -1.015 -0.746
74 HB3 ALA 12 3HB ALA 12 -5.570 -0.771 0.656
75 H VAL 13 H VAL 13 -4.200 0.048 2.204
76 HA VAL 13 HA VAL 13 -1.779 1.379 1.584
77 HB VAL 13 HB VAL 13 -3.576 1.510 4.027
78 HG11 VAL 13 1HG1 VAL 13 -1.369 2.546 4.480
79 HG12 VAL 13 2HG1 VAL 13 -2.653 3.751 4.397
80 HG13 VAL 13 3HG1 VAL 13 -1.553 3.539 3.035
81 HG21 VAL 13 3HG2 VAL 13 -3.530 3.569 1.860
82 HG22 VAL 13 1HG2 VAL 13 -4.877 3.012 2.852
83 HG23 VAL 13 2HG2 VAL 13 -4.310 2.029 1.503
84 H PHE 14 H PHE 14 -2.417 -1.079 4.060
85 HA PHE 14 HA PHE 14 0.055 -0.743 5.542
86 HB2 PHE 14 2HB PHE 14 -2.258 -1.951 6.018
87 HB3 PHE 14 1HB PHE 14 -1.435 -3.344 5.327
88 HD1 PHE 14 2HD PHE 14 0.709 -4.159 6.373
89 HD2 PHE 14 1HD PHE 14 -1.736 -1.134 8.195
90 HE1 PHE 14 2HE PHE 14 1.862 -4.530 8.537
91 HE2 PHE 14 1HE PHE 14 -0.586 -1.505 10.358
92 HZ PHE 14 HZ PHE 14 1.214 -3.202 10.530
93 H VAL 15 H VAL 15 -0.994 -2.908 2.897
94 HA VAL 15 HA VAL 15 1.341 -4.522 2.654
95 HB VAL 15 HB VAL 15 -0.537 -3.525 0.476
96 HG11 VAL 15 1HG1 VAL 15 1.235 -5.982 0.661
97 HG12 VAL 15 2HG1 VAL 15 1.426 -4.629 -0.456
98 HG13 VAL 15 3HG1 VAL 15 0.036 -5.705 -0.602
99 HG21 VAL 15 3HG2 VAL 15 -1.574 -5.880 0.980
100 HG22 VAL 15 1HG2 VAL 15 -1.986 -4.527 2.031
101 HG23 VAL 15 2HG2 VAL 15 -0.778 -5.705 2.544
102 H GLY 16 H GLY 16 0.516 -1.391 1.116
103 HA2 GLY 16 2HA GLY 16 2.888 -1.129 -0.461
104 HA3 GLY 16 1HA GLY 16 1.861 0.209 0.055
105 H LEU 17 H LEU 17 2.136 -0.150 2.885
106 HA LEU 17 HA LEU 17 4.579 1.290 3.397
107 HB2 LEU 17 2HB LEU 17 2.187 0.791 4.692
108 HB3 LEU 17 1HB LEU 17 3.329 -0.135 5.656
109 HG LEU 17 HG LEU 17 3.120 2.122 6.558
110 HD11 LEU 17 1HD1 LEU 17 5.776 1.981 5.120
111 HD12 LEU 17 2HD1 LEU 17 5.379 0.943 6.490
112 HD13 LEU 17 3HD1 LEU 17 5.432 2.694 6.695
113 HD21 LEU 17 3HD2 LEU 17 4.115 3.096 3.862
114 HD22 LEU 17 1HD2 LEU 17 3.695 4.092 5.254
115 HD23 LEU 17 2HD2 LEU 17 2.438 3.198 4.399
116 H VAL 18 H VAL 18 3.656 -2.141 3.888
117 HA VAL 18 HA VAL 18 6.071 -2.982 5.198
118 HB VAL 18 HB VAL 18 4.030 -4.416 3.463
119 HG11 VAL 18 1HG1 VAL 18 6.458 -5.443 4.916
120 HG12 VAL 18 2HG1 VAL 18 5.841 -5.892 3.325
121 HG13 VAL 18 3HG1 VAL 18 5.023 -6.460 4.780
122 HG21 VAL 18 3HG2 VAL 18 4.483 -4.393 6.467
123 HG22 VAL 18 1HG2 VAL 18 3.186 -5.233 5.619
124 HG23 VAL 18 2HG2 VAL 18 3.234 -3.472 5.631
125 H LEU 19 H LEU 19 5.151 -2.782 1.757
126 HA LEU 19 HA LEU 19 7.462 -4.001 0.599
127 HB2 LEU 19 2HB LEU 19 5.276 -3.400 -0.500
128 HB3 LEU 19 1HB LEU 19 5.771 -1.709 -0.458
129 HG LEU 19 HG LEU 19 7.861 -3.398 -1.590
130 HD11 LEU 19 1HD1 LEU 19 5.261 -3.270 -3.141
131 HD12 LEU 19 2HD1 LEU 19 5.787 -4.700 -2.253
132 HD13 LEU 19 3HD1 LEU 19 6.748 -4.098 -3.604
133 HD21 LEU 19 3HD2 LEU 19 6.235 -1.178 -2.866
134 HD22 LEU 19 1HD2 LEU 19 7.875 -1.681 -3.278
135 HD23 LEU 19 2HD2 LEU 19 7.560 -0.876 -1.741
136 H LEU 20 H LEU 20 6.787 -0.633 1.559
137 HA LEU 20 HA LEU 20 9.271 0.516 0.620
138 HB2 LEU 20 2HB LEU 20 6.972 1.567 1.291
139 HB3 LEU 20 1HB LEU 20 7.605 1.515 2.934
140 HG LEU 20 HG LEU 20 9.416 2.660 0.866
141 HD11 LEU 20 1HD1 LEU 20 6.926 4.075 1.865
142 HD12 LEU 20 2HD1 LEU 20 7.313 3.681 0.190
143 HD13 LEU 20 3HD1 LEU 20 8.273 4.877 1.059
144 HD21 LEU 20 3HD2 LEU 20 10.102 4.044 2.691
145 HD22 LEU 20 1HD2 LEU 20 9.833 2.448 3.391
146 HD23 LEU 20 2HD2 LEU 20 8.624 3.716 3.593
147 H THR 21 H THR 21 8.154 -0.678 3.796
148 HA THR 21 HA THR 21 10.652 -0.136 5.186
149 HB THR 21 HB THR 21 8.319 -1.935 5.915
150 HG1 THR 21 1HG THR 21 7.378 -0.030 5.770
151 HG21 THR 21 3HG2 THR 21 10.066 -2.387 7.443
152 HG22 THR 21 1HG2 THR 21 9.069 -1.185 8.260
153 HG23 THR 21 2HG2 THR 21 10.578 -0.701 7.487
154 H LEU 22 H LEU 22 9.719 -2.693 3.040
155 HA LEU 22 HA LEU 22 11.659 -4.596 4.267
156 HB2 LEU 22 2HB LEU 22 9.251 -5.187 3.656
157 HB3 LEU 22 1HB LEU 22 9.736 -5.034 1.968
158 HG LEU 22 HG LEU 22 11.714 -6.648 3.156
159 HD11 LEU 22 1HD1 LEU 22 8.929 -7.510 3.993
160 HD12 LEU 22 2HD1 LEU 22 10.218 -6.995 5.081
161 HD13 LEU 22 3HD1 LEU 22 10.393 -8.482 4.150
162 HD21 LEU 22 3HD2 LEU 22 10.913 -8.303 1.609
163 HD22 LEU 22 1HD2 LEU 22 10.634 -6.735 0.851
164 HD23 LEU 22 2HD2 LEU 22 9.294 -7.603 1.601
165 H SER 23 H SER 23 12.893 -2.394 3.118
166 HA SER 23 HA SER 23 14.606 -1.812 1.642
167 HB2 SER 23 2HB SER 23 14.795 -4.524 2.134
168 HB3 SER 23 1HB SER 23 14.812 -4.453 0.379
169 HG SER 23 HG SER 23 16.627 -3.481 2.258
170 HA PRO 24 HA PRO 24 11.809 -1.249 -1.917
171 HB2 PRO 24 2HB PRO 24 12.697 1.259 -2.539
172 HB3 PRO 24 1HB PRO 24 11.491 0.947 -1.274
173 HG2 PRO 24 2HG PRO 24 14.394 1.510 -1.015
174 HG3 PRO 24 1HG PRO 24 13.043 2.036 0.002
175 HD2 PRO 24 2HD PRO 24 14.732 0.002 0.668
176 HD3 PRO 24 1HD PRO 24 13.055 0.125 1.243
177 H HIS 25 H HIS 25 12.504 -0.359 -4.270
178 HA HIS 25 HA HIS 25 15.334 -1.052 -4.897
179 HB2 HIS 25 2HB HIS 25 14.530 -2.631 -6.658
180 HB3 HIS 25 1HB HIS 25 14.108 -3.146 -5.029
181 HD1 HIS 25 1HD HIS 25 11.594 -3.024 -4.351
182 HD2 HIS 25 2HD HIS 25 12.321 -1.900 -8.297
183 HE1 HIS 25 1HE HIS 25 9.339 -2.937 -5.495
184 H TYR 26 H TYR 26 14.085 1.536 -4.988
185 HA TYR 26 HA TYR 26 13.357 2.112 -7.785
186 HB2 TYR 26 2HB TYR 26 13.728 3.719 -5.245
187 HB3 TYR 26 1HB TYR 26 13.420 4.502 -6.795
188 HD1 TYR 26 1HD TYR 26 12.032 2.261 -4.210
189 HD2 TYR 26 2HD TYR 26 11.269 4.296 -7.916
190 HE1 TYR 26 1HE TYR 26 9.613 1.785 -3.972
191 HE2 TYR 26 2HE TYR 26 8.848 3.820 -7.676
192 HH TYR 26 HH TYR 26 7.520 1.741 -6.217
193 H LYS 27 H LYS 27 14.975 2.187 -9.289
194 HA LYS 27 HA LYS 27 17.349 3.869 -8.845
195 HB2 LYS 27 2HB LYS 27 17.811 1.656 -7.746
196 HB3 LYS 27 1HB LYS 27 17.616 0.884 -9.318
197 HG2 LYS 27 2HG LYS 27 19.462 3.161 -9.398
198 HG3 LYS 27 1HG LYS 27 19.993 1.891 -8.297
199 HD2 LYS 27 2HD LYS 27 19.149 1.412 -11.170
200 HD3 LYS 27 1HD LYS 27 20.823 1.584 -10.648
201 HE2 LYS 27 2HE LYS 27 19.030 -0.466 -9.337
202 HE3 LYS 27 1HE LYS 27 19.855 -0.831 -10.864
203 HZ1 LYS 27 3HZ LYS 27 21.227 0.246 -8.456
204 HZ2 LYS 27 1HZ LYS 27 21.957 -0.296 -9.889
205 HZ3 LYS 27 2HZ LYS 27 21.178 -1.403 -8.864
Start of MODEL 33
1 H1 MET 1 1HT MET 1 -8.806 12.839 14.180
2 H2 MET 1 2HT MET 1 -10.459 12.903 13.798
3 H3 MET 1 3HT MET 1 -9.317 12.520 12.597
4 HA MET 1 HA MET 1 -9.942 10.855 14.986
5 HB2 MET 1 2HB MET 1 -11.575 11.227 12.927
6 HB3 MET 1 1HB MET 1 -10.468 10.113 12.125
7 HG2 MET 1 2HG MET 1 -12.096 8.691 13.065
8 HG3 MET 1 1HG MET 1 -10.770 8.622 14.225
9 HE1 MET 1 2HE MET 1 -12.091 7.712 15.964
10 HE2 MET 1 3HE MET 1 -12.883 8.727 17.166
11 HE3 MET 1 1HE MET 1 -11.175 8.984 16.765
12 H ASP 2 H ASP 2 -8.010 9.990 15.561
13 HA ASP 2 HA ASP 2 -5.763 9.616 13.762
14 HB2 ASP 2 2HB ASP 2 -4.732 8.633 15.755
15 HB3 ASP 2 1HB ASP 2 -5.621 10.085 16.205
16 H ARG 3 H ARG 3 -4.756 7.434 13.392
17 HA ARG 3 HA ARG 3 -6.420 5.049 13.618
18 HB2 ARG 3 2HB ARG 3 -6.385 4.822 11.002
19 HB3 ARG 3 1HB ARG 3 -7.605 5.833 11.762
20 HG2 ARG 3 2HG ARG 3 -6.687 7.784 10.969
21 HG3 ARG 3 1HG ARG 3 -5.037 7.165 11.040
22 HD2 ARG 3 2HD ARG 3 -5.458 5.772 9.042
23 HD3 ARG 3 1HD ARG 3 -7.118 6.397 8.959
24 HE ARG 3 HE ARG 3 -4.768 8.249 8.852
25 HH11 ARG 3 1HH2 ARG 3 -5.450 7.314 6.174
26 HH12 ARG 3 2HH2 ARG 3 -6.673 8.421 5.648
27 HH21 ARG 3 1HH1 ARG 3 -7.361 9.572 8.868
28 HH22 ARG 3 2HH1 ARG 3 -7.767 9.713 7.191
29 H GLU 4 H GLU 4 -4.324 5.117 10.822
30 HA GLU 4 HA GLU 4 -2.233 4.169 10.405
31 HB2 GLU 4 2HB GLU 4 -1.994 5.862 12.577
32 HB3 GLU 4 1HB GLU 4 -1.280 4.365 13.175
33 HG2 GLU 4 2HG GLU 4 0.365 4.327 11.490
34 HG3 GLU 4 1HG GLU 4 -0.532 5.445 10.461
35 H MET 5 H MET 5 -4.467 2.443 11.309
36 HA MET 5 HA MET 5 -2.989 -0.012 11.714
37 HB2 MET 5 2HB MET 5 -3.992 -0.534 13.961
38 HB3 MET 5 1HB MET 5 -2.821 0.774 13.987
39 HG2 MET 5 2HG MET 5 -5.007 2.266 13.643
40 HG3 MET 5 1HG MET 5 -5.786 0.868 14.381
41 HE1 MET 5 3HE MET 5 -4.072 0.456 17.766
42 HE2 MET 5 1HE MET 5 -4.072 -0.418 16.224
43 HE3 MET 5 2HE MET 5 -5.580 0.193 16.897
44 H ALA 6 H ALA 6 -6.239 1.488 12.108
45 HA ALA 6 HA ALA 6 -7.546 -1.009 11.186
46 HB1 ALA 6 1HB ALA 6 -8.618 0.064 13.008
47 HB2 ALA 6 2HB ALA 6 -9.596 0.513 11.611
48 HB3 ALA 6 3HB ALA 6 -8.437 1.662 12.283
49 H ALA 7 H ALA 7 -7.522 2.454 10.215
50 HA ALA 7 HA ALA 7 -8.879 2.088 7.710
51 HB1 ALA 7 1HB ALA 7 -6.917 4.208 8.635
52 HB2 ALA 7 2HB ALA 7 -8.659 4.229 8.908
53 HB3 ALA 7 3HB ALA 7 -8.021 4.368 7.270
54 H SER 8 H SER 8 -5.439 1.909 8.592
55 HA SER 8 HA SER 8 -4.459 1.801 5.845
56 HB2 SER 8 2HB SER 8 -2.335 1.191 7.020
57 HB3 SER 8 1HB SER 8 -3.091 2.637 7.677
58 HG SER 8 HG SER 8 -2.601 1.351 9.407
59 H ALA 9 H ALA 9 -5.788 -0.585 8.046
60 HA ALA 9 HA ALA 9 -4.509 -2.888 6.778
61 HB1 ALA 9 1HB ALA 9 -6.844 -2.545 8.682
62 HB2 ALA 9 2HB ALA 9 -5.176 -2.918 9.115
63 HB3 ALA 9 3HB ALA 9 -6.146 -4.104 8.244
64 H GLY 10 H GLY 10 -5.658 -1.362 4.718
65 HA2 GLY 10 2HA GLY 10 -8.210 -2.694 4.005
66 HA3 GLY 10 1HA GLY 10 -7.544 -1.262 3.224
67 H GLY 11 H GLY 11 -4.938 -3.317 3.560
68 HA2 GLY 11 2HA GLY 11 -4.122 -5.114 2.203
69 HA3 GLY 11 1HA GLY 11 -5.531 -4.947 1.164
70 H ALA 12 H ALA 12 -4.560 -1.825 1.484
71 HA ALA 12 HA ALA 12 -2.629 -2.003 -0.812
72 HB1 ALA 12 1HB ALA 12 -3.736 0.179 -1.502
73 HB2 ALA 12 2HB ALA 12 -4.930 -0.107 -0.236
74 HB3 ALA 12 3HB ALA 12 -4.788 -1.234 -1.587
75 H VAL 13 H VAL 13 -3.800 0.085 1.846
76 HA VAL 13 HA VAL 13 -1.517 1.836 1.935
77 HB VAL 13 HB VAL 13 -3.619 1.067 3.996
78 HG11 VAL 13 1HG1 VAL 13 -1.710 2.132 5.096
79 HG12 VAL 13 2HG1 VAL 13 -3.067 3.257 5.039
80 HG13 VAL 13 3HG1 VAL 13 -1.725 3.436 3.908
81 HG21 VAL 13 3HG2 VAL 13 -3.448 3.232 1.886
82 HG22 VAL 13 1HG2 VAL 13 -4.558 3.334 3.253
83 HG23 VAL 13 2HG2 VAL 13 -4.710 2.016 2.092
84 H PHE 14 H PHE 14 -2.452 -0.938 4.036
85 HA PHE 14 HA PHE 14 -0.012 -0.978 5.564
86 HB2 PHE 14 2HB PHE 14 -2.491 -2.275 5.565
87 HB3 PHE 14 1HB PHE 14 -1.336 -3.565 5.251
88 HD1 PHE 14 2HD PHE 14 0.825 -3.567 6.753
89 HD2 PHE 14 1HD PHE 14 -2.840 -1.568 7.774
90 HE1 PHE 14 2HE PHE 14 1.491 -3.564 9.140
91 HE2 PHE 14 1HE PHE 14 -2.173 -1.563 10.159
92 HZ PHE 14 HZ PHE 14 -0.008 -2.561 10.845
93 H VAL 15 H VAL 15 -1.084 -2.947 2.768
94 HA VAL 15 HA VAL 15 1.238 -4.579 2.506
95 HB VAL 15 HB VAL 15 -0.817 -3.541 0.526
96 HG11 VAL 15 1HG1 VAL 15 -0.031 -5.689 -0.749
97 HG12 VAL 15 2HG1 VAL 15 1.468 -5.464 0.153
98 HG13 VAL 15 3HG1 VAL 15 0.893 -4.198 -0.931
99 HG21 VAL 15 3HG2 VAL 15 -1.759 -5.811 0.800
100 HG22 VAL 15 1HG2 VAL 15 -1.666 -4.977 2.351
101 HG23 VAL 15 2HG2 VAL 15 -0.472 -6.208 1.939
102 H GLY 16 H GLY 16 0.522 -1.331 1.196
103 HA2 GLY 16 2HA GLY 16 2.893 -1.098 -0.414
104 HA3 GLY 16 1HA GLY 16 1.898 0.247 0.146
105 H LEU 17 H LEU 17 2.127 -0.103 2.929
106 HA LEU 17 HA LEU 17 4.611 1.211 3.542
107 HB2 LEU 17 2HB LEU 17 2.458 1.365 4.797
108 HB3 LEU 17 1HB LEU 17 2.676 -0.298 5.336
109 HG LEU 17 HG LEU 17 5.043 1.352 5.841
110 HD11 LEU 17 1HD1 LEU 17 3.402 3.138 6.122
111 HD12 LEU 17 2HD1 LEU 17 4.000 2.639 7.704
112 HD13 LEU 17 3HD1 LEU 17 2.413 2.105 7.153
113 HD21 LEU 17 3HD2 LEU 17 4.249 -0.969 6.775
114 HD22 LEU 17 1HD2 LEU 17 3.303 0.005 7.902
115 HD23 LEU 17 2HD2 LEU 17 5.060 0.158 7.862
116 H VAL 18 H VAL 18 3.573 -2.207 3.999
117 HA VAL 18 HA VAL 18 5.937 -3.129 5.336
118 HB VAL 18 HB VAL 18 3.958 -4.511 3.478
119 HG11 VAL 18 1HG1 VAL 18 6.136 -5.757 3.740
120 HG12 VAL 18 2HG1 VAL 18 4.736 -6.619 4.376
121 HG13 VAL 18 3HG1 VAL 18 5.841 -5.796 5.478
122 HG21 VAL 18 3HG2 VAL 18 4.108 -4.733 6.485
123 HG22 VAL 18 1HG2 VAL 18 2.743 -5.075 5.423
124 HG23 VAL 18 2HG2 VAL 18 3.228 -3.408 5.726
125 H LEU 19 H LEU 19 5.122 -2.918 1.866
126 HA LEU 19 HA LEU 19 7.551 -4.074 0.833
127 HB2 LEU 19 2HB LEU 19 5.224 -3.529 -0.244
128 HB3 LEU 19 1HB LEU 19 5.914 -1.931 -0.527
129 HG LEU 19 HG LEU 19 7.916 -3.213 -1.574
130 HD11 LEU 19 1HD1 LEU 19 7.244 -5.403 -2.558
131 HD12 LEU 19 2HD1 LEU 19 5.748 -5.338 -1.625
132 HD13 LEU 19 3HD1 LEU 19 7.302 -5.448 -0.796
133 HD21 LEU 19 3HD2 LEU 19 5.181 -3.197 -2.896
134 HD22 LEU 19 1HD2 LEU 19 6.716 -3.343 -3.750
135 HD23 LEU 19 2HD2 LEU 19 6.331 -1.860 -2.878
136 H LEU 20 H LEU 20 6.562 -0.763 1.646
137 HA LEU 20 HA LEU 20 8.776 0.725 0.672
138 HB2 LEU 20 2HB LEU 20 6.487 1.009 2.442
139 HB3 LEU 20 1HB LEU 20 7.863 1.873 3.101
140 HG LEU 20 HG LEU 20 6.493 3.300 1.627
141 HD11 LEU 20 1HD1 LEU 20 8.285 4.300 0.466
142 HD12 LEU 20 2HD1 LEU 20 9.098 2.757 0.211
143 HD13 LEU 20 3HD1 LEU 20 9.055 3.475 1.820
144 HD21 LEU 20 3HD2 LEU 20 7.072 2.541 -0.953
145 HD22 LEU 20 1HD2 LEU 20 5.548 2.214 -0.131
146 HD23 LEU 20 2HD2 LEU 20 6.807 0.983 -0.174
147 H THR 21 H THR 21 8.247 -0.611 3.962
148 HA THR 21 HA THR 21 10.794 0.063 5.071
149 HB THR 21 HB THR 21 8.994 -2.291 5.736
150 HG1 THR 21 1HG THR 21 8.793 0.472 6.310
151 HG21 THR 21 3HG2 THR 21 10.906 -0.633 7.403
152 HG22 THR 21 1HG2 THR 21 11.110 -2.323 6.943
153 HG23 THR 21 2HG2 THR 21 9.815 -1.859 8.046
154 H LEU 22 H LEU 22 9.728 -2.741 3.169
155 HA LEU 22 HA LEU 22 12.012 -4.438 3.569
156 HB2 LEU 22 2HB LEU 22 9.596 -4.306 1.971
157 HB3 LEU 22 1HB LEU 22 10.947 -4.832 0.971
158 HG LEU 22 HG LEU 22 11.499 -6.537 2.745
159 HD11 LEU 22 1HD1 LEU 22 10.190 -5.277 4.545
160 HD12 LEU 22 2HD1 LEU 22 9.924 -7.019 4.481
161 HD13 LEU 22 3HD1 LEU 22 8.728 -5.919 3.798
162 HD21 LEU 22 3HD2 LEU 22 9.857 -8.095 1.970
163 HD22 LEU 22 1HD2 LEU 22 10.085 -6.945 0.653
164 HD23 LEU 22 2HD2 LEU 22 8.671 -6.819 1.700
165 H SER 23 H SER 23 11.290 -1.884 1.187
166 HA SER 23 HA SER 23 13.707 -2.261 -0.382
167 HB2 SER 23 2HB SER 23 11.570 -0.146 -0.116
168 HB3 SER 23 1HB SER 23 12.966 0.111 -1.155
169 HG SER 23 HG SER 23 10.900 -1.798 -1.321
170 HA PRO 24 HA PRO 24 16.606 -0.037 2.086
171 HB2 PRO 24 2HB PRO 24 18.161 1.167 0.187
172 HB3 PRO 24 1HB PRO 24 18.219 -0.574 0.536
173 HG2 PRO 24 2HG PRO 24 16.828 0.861 -1.667
174 HG3 PRO 24 1HG PRO 24 17.719 -0.669 -1.702
175 HD2 PRO 24 2HD PRO 24 15.016 -0.544 -1.655
176 HD3 PRO 24 1HD PRO 24 15.936 -1.885 -0.934
177 H HIS 25 H HIS 25 15.207 1.505 3.087
178 HA HIS 25 HA HIS 25 14.129 3.881 1.962
179 HB2 HIS 25 2HB HIS 25 14.833 2.853 4.673
180 HB3 HIS 25 1HB HIS 25 14.509 4.578 4.533
181 HD1 HIS 25 1HD HIS 25 12.134 5.199 3.370
182 HD2 HIS 25 2HD HIS 25 12.545 1.277 4.715
183 HE1 HIS 25 1HE HIS 25 9.796 4.245 3.510
184 H TYR 26 H TYR 26 17.304 3.356 3.544
185 HA TYR 26 HA TYR 26 18.106 6.153 2.911
186 HB2 TYR 26 2HB TYR 26 19.073 3.940 4.706
187 HB3 TYR 26 1HB TYR 26 20.182 5.235 4.262
188 HD1 TYR 26 2HD TYR 26 17.036 4.417 6.013
189 HD2 TYR 26 1HD TYR 26 19.835 7.521 5.018
190 HE1 TYR 26 2HE TYR 26 15.987 5.904 7.697
191 HE2 TYR 26 1HE TYR 26 18.784 9.007 6.702
192 HH TYR 26 HH TYR 26 17.201 8.265 9.075
193 H LYS 27 H LYS 27 18.786 6.308 0.808
194 HA LYS 27 HA LYS 27 21.007 4.545 -0.087
195 HB2 LYS 27 2HB LYS 27 19.813 4.236 -2.279
196 HB3 LYS 27 1HB LYS 27 19.028 3.447 -0.918
197 HG2 LYS 27 2HG LYS 27 17.131 4.558 -1.396
198 HG3 LYS 27 1HG LYS 27 17.956 6.083 -1.076
199 HD2 LYS 27 2HD LYS 27 18.899 5.833 -3.482
200 HD3 LYS 27 1HD LYS 27 17.605 4.655 -3.707
201 HE2 LYS 27 2HE LYS 27 16.085 6.572 -2.689
202 HE3 LYS 27 1HE LYS 27 17.404 7.620 -3.244
203 HZ1 LYS 27 3HZ LYS 27 17.270 6.535 -5.429
204 HZ2 LYS 27 1HZ LYS 27 15.823 7.320 -5.024
205 HZ3 LYS 27 2HZ LYS 27 15.930 5.630 -4.896
Start of MODEL 34
1 H1 MET 1 1HT MET 1 -9.308 5.589 14.817
2 H2 MET 1 2HT MET 1 -8.676 4.480 15.937
3 H3 MET 1 3HT MET 1 -8.760 6.130 16.327
4 HA MET 1 HA MET 1 -10.530 4.822 17.426
5 HB2 MET 1 2HB MET 1 -10.612 7.243 15.927
6 HB3 MET 1 1HB MET 1 -12.163 6.439 15.688
7 HG2 MET 1 2HG MET 1 -12.696 6.492 17.959
8 HG3 MET 1 1HG MET 1 -11.008 6.610 18.457
9 HE1 MET 1 2HE MET 1 -14.189 8.734 18.456
10 HE2 MET 1 3HE MET 1 -13.976 8.059 16.843
11 HE3 MET 1 1HE MET 1 -13.909 9.812 17.093
12 H ASP 2 H ASP 2 -12.953 4.256 16.767
13 HA ASP 2 HA ASP 2 -14.446 2.794 15.739
14 HB2 ASP 2 2HB ASP 2 -12.697 3.692 13.459
15 HB3 ASP 2 1HB ASP 2 -13.961 2.495 13.194
16 H ARG 3 H ARG 3 -14.573 0.643 14.558
17 HA ARG 3 HA ARG 3 -12.129 -1.046 14.952
18 HB2 ARG 3 2HB ARG 3 -14.577 -0.997 16.488
19 HB3 ARG 3 1HB ARG 3 -14.428 -2.552 15.673
20 HG2 ARG 3 2HG ARG 3 -11.938 -1.532 16.921
21 HG3 ARG 3 1HG ARG 3 -13.223 -1.973 18.043
22 HD2 ARG 3 2HD ARG 3 -12.280 -4.065 17.812
23 HD3 ARG 3 1HD ARG 3 -13.329 -4.122 16.385
24 HE ARG 3 HE ARG 3 -10.821 -2.837 15.733
25 HH11 ARG 3 1HH1 ARG 3 -9.830 -5.281 17.118
26 HH12 ARG 3 2HH1 ARG 3 -9.802 -6.451 15.844
27 HH21 ARG 3 1HH2 ARG 3 -11.871 -4.592 13.742
28 HH22 ARG 3 2HH2 ARG 3 -10.968 -6.060 13.915
29 H GLU 4 H GLU 4 -15.518 -1.099 13.739
30 HA GLU 4 HA GLU 4 -15.091 -3.204 11.813
31 HB2 GLU 4 2HB GLU 4 -17.159 -1.050 12.268
32 HB3 GLU 4 1HB GLU 4 -17.262 -2.111 10.865
33 HG2 GLU 4 2HG GLU 4 -18.297 -3.608 12.192
34 HG3 GLU 4 1HG GLU 4 -16.747 -3.848 12.995
35 H MET 5 H MET 5 -14.826 0.347 11.642
36 HA MET 5 HA MET 5 -14.128 0.214 8.749
37 HB2 MET 5 2HB MET 5 -15.135 2.216 10.697
38 HB3 MET 5 1HB MET 5 -14.061 2.843 9.446
39 HG2 MET 5 2HG MET 5 -16.097 0.966 8.438
40 HG3 MET 5 1HG MET 5 -16.762 2.444 9.130
41 HE1 MET 5 3HE MET 5 -13.347 1.714 6.984
42 HE2 MET 5 1HE MET 5 -14.192 1.845 5.432
43 HE3 MET 5 2HE MET 5 -14.726 0.677 6.636
44 H ALA 6 H ALA 6 -12.347 -0.463 11.339
45 HA ALA 6 HA ALA 6 -10.038 1.323 10.708
46 HB1 ALA 6 1HB ALA 6 -9.246 0.617 12.918
47 HB2 ALA 6 2HB ALA 6 -10.584 -0.525 13.045
48 HB3 ALA 6 3HB ALA 6 -10.905 1.209 13.024
49 H ALA 7 H ALA 7 -11.133 -1.794 9.883
50 HA ALA 7 HA ALA 7 -8.398 -2.981 9.835
51 HB1 ALA 7 1HB ALA 7 -11.095 -4.189 9.145
52 HB2 ALA 7 2HB ALA 7 -10.388 -4.214 10.761
53 HB3 ALA 7 3HB ALA 7 -9.591 -5.062 9.435
54 H SER 8 H SER 8 -11.164 -2.365 7.628
55 HA SER 8 HA SER 8 -9.835 -3.143 5.203
56 HB2 SER 8 2HB SER 8 -12.334 -2.788 5.741
57 HB3 SER 8 1HB SER 8 -12.025 -1.081 5.446
58 HG SER 8 HG SER 8 -12.718 -2.330 3.578
59 H ALA 9 H ALA 9 -9.832 -0.082 7.008
60 HA ALA 9 HA ALA 9 -8.868 1.616 4.886
61 HB1 ALA 9 1HB ALA 9 -8.562 1.778 7.903
62 HB2 ALA 9 2HB ALA 9 -9.911 2.425 6.967
63 HB3 ALA 9 3HB ALA 9 -8.297 3.113 6.782
64 H GLY 10 H GLY 10 -7.154 -0.207 7.459
65 HA2 GLY 10 2HA GLY 10 -4.542 0.527 6.276
66 HA3 GLY 10 1HA GLY 10 -4.784 -0.339 7.793
67 H GLY 11 H GLY 11 -5.951 -0.992 4.463
68 HA2 GLY 11 2HA GLY 11 -4.896 -3.773 4.745
69 HA3 GLY 11 1HA GLY 11 -6.215 -3.296 3.668
70 H ALA 12 H ALA 12 -5.656 -1.795 1.881
71 HA ALA 12 HA ALA 12 -3.388 -2.693 0.362
72 HB1 ALA 12 1HB ALA 12 -4.165 -1.139 -1.256
73 HB2 ALA 12 2HB ALA 12 -4.838 -0.068 -0.028
74 HB3 ALA 12 3HB ALA 12 -5.620 -1.610 -0.378
75 H VAL 13 H VAL 13 -3.944 0.281 2.273
76 HA VAL 13 HA VAL 13 -1.502 1.640 1.707
77 HB VAL 13 HB VAL 13 -3.181 1.574 4.245
78 HG11 VAL 13 1HG1 VAL 13 -1.142 3.573 3.221
79 HG12 VAL 13 2HG1 VAL 13 -1.046 2.621 4.704
80 HG13 VAL 13 3HG1 VAL 13 -2.255 3.895 4.550
81 HG21 VAL 13 3HG2 VAL 13 -4.723 2.375 2.740
82 HG22 VAL 13 1HG2 VAL 13 -3.491 2.883 1.586
83 HG23 VAL 13 2HG2 VAL 13 -3.845 3.883 2.994
84 H PHE 14 H PHE 14 -2.296 -0.808 4.185
85 HA PHE 14 HA PHE 14 0.248 -0.800 5.532
86 HB2 PHE 14 2HB PHE 14 -2.056 -1.754 6.223
87 HB3 PHE 14 1HB PHE 14 -1.621 -3.159 5.252
88 HD1 PHE 14 1HD PHE 14 -0.712 -1.133 8.215
89 HD2 PHE 14 2HD PHE 14 0.083 -4.711 5.975
90 HE1 PHE 14 1HE PHE 14 0.651 -2.006 10.094
91 HE2 PHE 14 2HE PHE 14 1.446 -5.584 7.855
92 HZ PHE 14 HZ PHE 14 1.730 -4.232 9.914
93 H VAL 15 H VAL 15 -1.037 -2.747 2.808
94 HA VAL 15 HA VAL 15 1.135 -4.569 2.509
95 HB VAL 15 HB VAL 15 -0.799 -3.317 0.526
96 HG11 VAL 15 1HG1 VAL 15 -0.223 -5.348 -0.890
97 HG12 VAL 15 2HG1 VAL 15 1.174 -5.586 0.161
98 HG13 VAL 15 3HG1 VAL 15 1.034 -4.115 -0.802
99 HG21 VAL 15 3HG2 VAL 15 -2.139 -5.222 0.882
100 HG22 VAL 15 1HG2 VAL 15 -1.542 -4.857 2.500
101 HG23 VAL 15 2HG2 VAL 15 -0.802 -6.151 1.559
102 H GLY 16 H GLY 16 0.657 -1.295 1.134
103 HA2 GLY 16 2HA GLY 16 3.113 -1.239 -0.371
104 HA3 GLY 16 1HA GLY 16 2.162 0.174 0.091
105 H LEU 17 H LEU 17 2.222 -0.190 2.918
106 HA LEU 17 HA LEU 17 4.669 1.096 3.636
107 HB2 LEU 17 2HB LEU 17 2.444 -0.297 5.121
108 HB3 LEU 17 1HB LEU 17 3.841 0.323 5.997
109 HG LEU 17 HG LEU 17 2.177 2.013 4.110
110 HD11 LEU 17 1HD1 LEU 17 2.042 1.828 7.137
111 HD12 LEU 17 2HD1 LEU 17 0.812 1.227 6.023
112 HD13 LEU 17 3HD1 LEU 17 1.136 2.957 6.129
113 HD21 LEU 17 3HD2 LEU 17 4.403 2.905 4.460
114 HD22 LEU 17 1HD2 LEU 17 4.296 2.624 6.197
115 HD23 LEU 17 2HD2 LEU 17 3.290 3.857 5.439
116 H VAL 18 H VAL 18 3.688 -2.344 3.802
117 HA VAL 18 HA VAL 18 6.030 -3.280 5.210
118 HB VAL 18 HB VAL 18 4.119 -4.652 3.277
119 HG11 VAL 18 1HG1 VAL 18 5.877 -5.933 5.389
120 HG12 VAL 18 2HG1 VAL 18 6.318 -5.853 3.683
121 HG13 VAL 18 3HG1 VAL 18 4.884 -6.748 4.181
122 HG21 VAL 18 3HG2 VAL 18 2.640 -4.740 4.988
123 HG22 VAL 18 1HG2 VAL 18 3.656 -3.567 5.824
124 HG23 VAL 18 2HG2 VAL 18 3.878 -5.291 6.115
125 H LEU 19 H LEU 19 5.247 -2.933 1.742
126 HA LEU 19 HA LEU 19 7.725 -4.066 0.752
127 HB2 LEU 19 2HB LEU 19 5.335 -3.524 -0.326
128 HB3 LEU 19 1HB LEU 19 6.151 -2.029 -0.781
129 HG LEU 19 HG LEU 19 7.528 -4.650 -1.278
130 HD11 LEU 19 1HD1 LEU 19 5.418 -3.414 -3.075
131 HD12 LEU 19 2HD1 LEU 19 5.255 -4.936 -2.197
132 HD13 LEU 19 3HD1 LEU 19 6.446 -4.786 -3.489
133 HD21 LEU 19 3HD2 LEU 19 7.468 -1.928 -2.623
134 HD22 LEU 19 1HD2 LEU 19 8.361 -3.313 -3.252
135 HD23 LEU 19 2HD2 LEU 19 8.795 -2.621 -1.690
136 H LEU 20 H LEU 20 6.595 -0.730 1.390
137 HA LEU 20 HA LEU 20 8.985 0.611 0.465
138 HB2 LEU 20 2HB LEU 20 6.518 1.421 1.065
139 HB3 LEU 20 1HB LEU 20 7.237 1.697 2.651
140 HG LEU 20 HG LEU 20 9.146 2.811 1.076
141 HD11 LEU 20 1HD1 LEU 20 8.115 4.058 -0.725
142 HD12 LEU 20 2HD1 LEU 20 6.518 3.445 -0.296
143 HD13 LEU 20 3HD1 LEU 20 7.735 2.352 -0.955
144 HD21 LEU 20 3HD2 LEU 20 6.607 4.218 1.970
145 HD22 LEU 20 1HD2 LEU 20 8.183 4.964 1.711
146 HD23 LEU 20 2HD2 LEU 20 7.957 3.821 3.034
147 H THR 21 H THR 21 7.963 -0.730 3.592
148 HA THR 21 HA THR 21 10.545 0.102 4.847
149 HB THR 21 HB THR 21 8.190 -1.199 6.224
150 HG1 THR 21 1HG THR 21 7.116 0.439 5.373
151 HG21 THR 21 3HG2 THR 21 10.377 -0.770 7.407
152 HG22 THR 21 1HG2 THR 21 8.980 0.015 8.141
153 HG23 THR 21 2HG2 THR 21 10.101 0.953 7.155
154 H LEU 22 H LEU 22 10.418 -2.094 2.868
155 HA LEU 22 HA LEU 22 10.499 -4.634 4.322
156 HB2 LEU 22 2HB LEU 22 9.850 -4.013 1.844
157 HB3 LEU 22 1HB LEU 22 11.580 -4.198 1.557
158 HG LEU 22 HG LEU 22 10.442 -6.364 3.180
159 HD11 LEU 22 1HD1 LEU 22 9.558 -6.069 0.292
160 HD12 LEU 22 2HD1 LEU 22 8.504 -5.887 1.694
161 HD13 LEU 22 3HD1 LEU 22 9.243 -7.448 1.343
162 HD21 LEU 22 3HD2 LEU 22 12.721 -6.319 2.148
163 HD22 LEU 22 1HD2 LEU 22 11.966 -6.339 0.552
164 HD23 LEU 22 2HD2 LEU 22 11.771 -7.714 1.638
165 H SER 23 H SER 23 12.848 -2.189 3.379
166 HA SER 23 HA SER 23 15.108 -1.937 3.917
167 HB2 SER 23 2HB SER 23 14.762 -4.523 5.468
168 HB3 SER 23 1HB SER 23 16.051 -3.350 5.660
169 HG SER 23 HG SER 23 13.315 -3.163 6.330
170 HA PRO 24 HA PRO 24 17.228 -4.337 0.909
171 HB2 PRO 24 2HB PRO 24 19.829 -4.122 1.721
172 HB3 PRO 24 1HB PRO 24 18.923 -2.777 1.000
173 HG2 PRO 24 2HG PRO 24 19.567 -3.306 3.846
174 HG3 PRO 24 1HG PRO 24 19.489 -1.771 2.968
175 HD2 PRO 24 2HD PRO 24 17.529 -2.682 4.640
176 HD3 PRO 24 1HD PRO 24 17.253 -1.543 3.304
177 H HIS 25 H HIS 25 19.241 -6.075 0.919
178 HA HIS 25 HA HIS 25 19.904 -8.258 1.412
179 HB2 HIS 25 2HB HIS 25 20.469 -6.918 3.542
180 HB3 HIS 25 1HB HIS 25 19.034 -7.659 4.247
181 HD1 HIS 25 1HD HIS 25 19.053 -10.271 4.535
182 HD2 HIS 25 2HD HIS 25 22.677 -8.661 3.244
183 HE1 HIS 25 1HE HIS 25 20.791 -12.091 4.826
184 H TYR 26 H TYR 26 17.570 -8.357 0.183
185 HA TYR 26 HA TYR 26 15.956 -10.350 1.734
186 HB2 TYR 26 2HB TYR 26 15.021 -7.966 1.604
187 HB3 TYR 26 1HB TYR 26 14.806 -8.258 -0.122
188 HD1 TYR 26 1HD TYR 26 13.994 -9.709 3.233
189 HD2 TYR 26 2HD TYR 26 12.895 -9.370 -0.906
190 HE1 TYR 26 1HE TYR 26 11.879 -10.917 3.695
191 HE2 TYR 26 2HE TYR 26 10.780 -10.578 -0.445
192 HH TYR 26 HH TYR 26 10.128 -12.409 1.639
193 H LYS 27 H LYS 27 15.658 -12.213 0.591
194 HA LYS 27 HA LYS 27 15.339 -12.256 -2.315
195 HB2 LYS 27 2HB LYS 27 17.361 -13.627 -2.723
196 HB3 LYS 27 1HB LYS 27 17.773 -12.032 -2.102
197 HG2 LYS 27 2HG LYS 27 17.610 -13.370 0.236
198 HG3 LYS 27 1HG LYS 27 18.062 -14.705 -0.821
199 HD2 LYS 27 2HD LYS 27 20.165 -13.921 -1.122
200 HD3 LYS 27 1HD LYS 27 19.620 -12.254 -1.299
201 HE2 LYS 27 2HE LYS 27 19.592 -13.596 1.409
202 HE3 LYS 27 1HE LYS 27 21.064 -12.823 0.789
203 HZ1 LYS 27 3HZ LYS 27 19.644 -10.831 0.298
204 HZ2 LYS 27 1HZ LYS 27 19.864 -11.159 1.944
205 HZ3 LYS 27 2HZ LYS 27 18.401 -11.571 1.191
Start of MODEL 35
1 H1 MET 1 1HT MET 1 -5.196 -16.995 2.383
2 H2 MET 1 2HT MET 1 -5.251 -18.647 2.002
3 H3 MET 1 3HT MET 1 -3.853 -17.739 1.668
4 HA MET 1 HA MET 1 -4.921 -18.239 4.403
5 HB2 MET 1 2HB MET 1 -3.146 -19.916 4.559
6 HB3 MET 1 1HB MET 1 -4.194 -20.291 3.197
7 HG2 MET 1 2HG MET 1 -2.578 -19.669 1.619
8 HG3 MET 1 1HG MET 1 -1.713 -18.639 2.758
9 HE1 MET 1 2HE MET 1 -0.767 -19.503 4.929
10 HE2 MET 1 3HE MET 1 0.560 -19.430 3.775
11 HE3 MET 1 1HE MET 1 0.406 -20.814 4.870
12 H ASP 2 H ASP 2 -2.694 -18.144 5.821
13 HA ASP 2 HA ASP 2 -1.134 -16.718 6.827
14 HB2 ASP 2 2HB ASP 2 -0.377 -17.309 4.242
15 HB3 ASP 2 1HB ASP 2 -0.246 -15.552 4.286
16 H ARG 3 H ARG 3 -3.756 -15.607 6.655
17 HA ARG 3 HA ARG 3 -3.243 -12.717 6.045
18 HB2 ARG 3 2HB ARG 3 -5.427 -14.570 5.596
19 HB3 ARG 3 1HB ARG 3 -5.985 -13.182 6.531
20 HG2 ARG 3 2HG ARG 3 -4.624 -11.790 4.769
21 HG3 ARG 3 1HG ARG 3 -4.779 -13.240 3.778
22 HD2 ARG 3 2HD ARG 3 -7.320 -12.507 5.043
23 HD3 ARG 3 1HD ARG 3 -6.691 -11.226 3.989
24 HE ARG 3 HE ARG 3 -6.749 -14.033 2.976
25 HH11 ARG 3 1HH1 ARG 3 -5.983 -11.642 1.280
26 HH12 ARG 3 2HH1 ARG 3 -7.444 -11.356 0.397
27 HH21 ARG 3 1HH2 ARG 3 -9.411 -13.284 2.532
28 HH22 ARG 3 2HH2 ARG 3 -9.403 -12.294 1.113
29 H GLU 4 H GLU 4 -2.695 -11.602 7.836
30 HA GLU 4 HA GLU 4 -4.294 -11.916 10.324
31 HB2 GLU 4 2HB GLU 4 -2.261 -13.420 10.333
32 HB3 GLU 4 1HB GLU 4 -1.256 -11.978 10.243
33 HG2 GLU 4 2HG GLU 4 -2.486 -11.172 12.344
34 HG3 GLU 4 1HG GLU 4 -3.113 -12.816 12.478
35 H MET 5 H MET 5 -1.222 -10.160 9.641
36 HA MET 5 HA MET 5 -2.736 -7.581 9.916
37 HB2 MET 5 2HB MET 5 -0.395 -8.717 11.355
38 HB3 MET 5 1HB MET 5 -0.292 -7.006 10.939
39 HG2 MET 5 2HG MET 5 -2.361 -6.523 12.085
40 HG3 MET 5 1HG MET 5 -2.676 -8.239 12.343
41 HE1 MET 5 3HE MET 5 -1.306 -9.781 13.550
42 HE2 MET 5 1HE MET 5 -2.334 -9.110 14.828
43 HE3 MET 5 2HE MET 5 -0.624 -9.401 15.127
44 H ALA 6 H ALA 6 -2.264 -8.647 7.405
45 HA ALA 6 HA ALA 6 0.175 -7.301 6.327
46 HB1 ALA 6 1HB ALA 6 -0.374 -8.694 4.322
47 HB2 ALA 6 2HB ALA 6 -1.783 -9.315 5.180
48 HB3 ALA 6 3HB ALA 6 -0.163 -9.656 5.785
49 H ALA 7 H ALA 7 -3.383 -7.365 5.970
50 HA ALA 7 HA ALA 7 -3.225 -4.749 4.510
51 HB1 ALA 7 1HB ALA 7 -5.388 -6.672 3.847
52 HB2 ALA 7 2HB ALA 7 -3.762 -7.132 3.340
53 HB3 ALA 7 3HB ALA 7 -4.461 -5.610 2.788
54 H SER 8 H SER 8 -3.564 -4.239 6.957
55 HA SER 8 HA SER 8 -6.442 -4.421 7.718
56 HB2 SER 8 2HB SER 8 -4.184 -5.024 9.112
57 HB3 SER 8 1HB SER 8 -4.437 -3.359 9.621
58 HG SER 8 HG SER 8 -5.703 -5.541 10.432
59 H ALA 9 H ALA 9 -4.134 -2.094 6.566
60 HA ALA 9 HA ALA 9 -5.677 0.208 7.647
61 HB1 ALA 9 1HB ALA 9 -3.154 0.089 7.689
62 HB2 ALA 9 2HB ALA 9 -3.776 1.503 6.839
63 HB3 ALA 9 3HB ALA 9 -3.173 0.120 5.926
64 H GLY 10 H GLY 10 -7.322 -1.124 6.072
65 HA2 GLY 10 2HA GLY 10 -8.850 -0.418 4.361
66 HA3 GLY 10 1HA GLY 10 -7.556 0.525 3.623
67 H GLY 11 H GLY 11 -6.579 -2.650 4.563
68 HA2 GLY 11 2HA GLY 11 -5.936 -4.502 3.322
69 HA3 GLY 11 1HA GLY 11 -7.408 -4.245 2.388
70 H ALA 12 H ALA 12 -4.688 -1.995 2.682
71 HA ALA 12 HA ALA 12 -3.511 -2.654 0.091
72 HB1 ALA 12 1HB ALA 12 -5.520 -0.422 0.393
73 HB2 ALA 12 2HB ALA 12 -5.444 -1.673 -0.848
74 HB3 ALA 12 3HB ALA 12 -4.272 -0.355 -0.853
75 H VAL 13 H VAL 13 -4.080 0.326 2.037
76 HA VAL 13 HA VAL 13 -1.558 1.548 1.685
77 HB VAL 13 HB VAL 13 -3.332 1.552 4.154
78 HG11 VAL 13 1HG1 VAL 13 -2.383 3.816 4.508
79 HG12 VAL 13 2HG1 VAL 13 -1.306 3.566 3.134
80 HG13 VAL 13 3HG1 VAL 13 -1.141 2.566 4.578
81 HG21 VAL 13 3HG2 VAL 13 -3.958 3.834 2.866
82 HG22 VAL 13 1HG2 VAL 13 -4.816 2.323 2.565
83 HG23 VAL 13 2HG2 VAL 13 -3.536 2.843 1.469
84 H PHE 14 H PHE 14 -2.526 -0.941 4.021
85 HA PHE 14 HA PHE 14 -0.175 -1.009 5.649
86 HB2 PHE 14 2HB PHE 14 -2.599 -2.157 5.678
87 HB3 PHE 14 1HB PHE 14 -1.698 -3.497 4.989
88 HD1 PHE 14 2HD PHE 14 0.607 -4.037 6.211
89 HD2 PHE 14 1HD PHE 14 -2.695 -1.961 8.010
90 HE1 PHE 14 2HE PHE 14 1.458 -4.628 8.462
91 HE2 PHE 14 1HE PHE 14 -1.843 -2.554 10.258
92 HZ PHE 14 HZ PHE 14 0.233 -3.887 10.486
93 H VAL 15 H VAL 15 -1.066 -2.962 2.773
94 HA VAL 15 HA VAL 15 1.307 -4.536 2.603
95 HB VAL 15 HB VAL 15 -0.684 -3.579 0.516
96 HG11 VAL 15 1HG1 VAL 15 1.411 -4.317 -0.568
97 HG12 VAL 15 2HG1 VAL 15 0.105 -5.463 -0.862
98 HG13 VAL 15 3HG1 VAL 15 1.344 -5.831 0.336
99 HG21 VAL 15 3HG2 VAL 15 -1.849 -5.595 0.928
100 HG22 VAL 15 1HG2 VAL 15 -1.387 -5.053 2.541
101 HG23 VAL 15 2HG2 VAL 15 -0.470 -6.329 1.745
102 H GLY 16 H GLY 16 0.507 -1.384 1.069
103 HA2 GLY 16 2HA GLY 16 2.920 -1.112 -0.437
104 HA3 GLY 16 1HA GLY 16 1.893 0.228 0.073
105 H LEU 17 H LEU 17 2.090 -0.142 2.884
106 HA LEU 17 HA LEU 17 4.501 1.283 3.515
107 HB2 LEU 17 2HB LEU 17 2.077 0.577 4.739
108 HB3 LEU 17 1HB LEU 17 3.310 -0.186 5.738
109 HG LEU 17 HG LEU 17 4.402 2.307 5.278
110 HD11 LEU 17 1HD1 LEU 17 1.424 2.457 5.139
111 HD12 LEU 17 2HD1 LEU 17 2.640 3.501 4.402
112 HD13 LEU 17 3HD1 LEU 17 2.248 3.674 6.112
113 HD21 LEU 17 3HD2 LEU 17 3.554 2.772 7.636
114 HD22 LEU 17 1HD2 LEU 17 4.420 1.249 7.434
115 HD23 LEU 17 2HD2 LEU 17 2.658 1.257 7.524
116 H VAL 18 H VAL 18 3.604 -2.161 3.933
117 HA VAL 18 HA VAL 18 5.998 -3.025 5.257
118 HB VAL 18 HB VAL 18 3.943 -4.398 3.497
119 HG11 VAL 18 1HG1 VAL 18 4.912 -6.493 4.751
120 HG12 VAL 18 2HG1 VAL 18 6.370 -5.508 4.887
121 HG13 VAL 18 3HG1 VAL 18 5.720 -5.906 3.297
122 HG21 VAL 18 3HG2 VAL 18 3.310 -3.436 5.773
123 HG22 VAL 18 1HG2 VAL 18 4.414 -4.614 6.483
124 HG23 VAL 18 2HG2 VAL 18 3.006 -5.162 5.574
125 H LEU 19 H LEU 19 5.129 -2.870 1.794
126 HA LEU 19 HA LEU 19 7.501 -4.061 0.716
127 HB2 LEU 19 2HB LEU 19 5.182 -3.403 -0.308
128 HB3 LEU 19 1HB LEU 19 5.948 -1.845 -0.613
129 HG LEU 19 HG LEU 19 7.521 -4.234 -1.413
130 HD11 LEU 19 1HD1 LEU 19 5.107 -3.336 -3.012
131 HD12 LEU 19 2HD1 LEU 19 5.180 -4.828 -2.074
132 HD13 LEU 19 3HD1 LEU 19 6.254 -4.600 -3.455
133 HD21 LEU 19 3HD2 LEU 19 8.308 -2.783 -3.086
134 HD22 LEU 19 1HD2 LEU 19 7.980 -1.674 -1.755
135 HD23 LEU 19 2HD2 LEU 19 6.829 -1.823 -3.084
136 H LEU 20 H LEU 20 6.753 -0.734 1.705
137 HA LEU 20 HA LEU 20 9.111 0.532 0.608
138 HB2 LEU 20 2HB LEU 20 6.822 1.481 1.427
139 HB3 LEU 20 1HB LEU 20 7.560 1.452 3.028
140 HG LEU 20 HG LEU 20 9.556 2.644 1.651
141 HD11 LEU 20 1HD1 LEU 20 8.566 2.805 -0.484
142 HD12 LEU 20 2HD1 LEU 20 8.293 4.399 0.218
143 HD13 LEU 20 3HD1 LEU 20 6.985 3.216 0.179
144 HD21 LEU 20 3HD2 LEU 20 8.812 4.703 2.642
145 HD22 LEU 20 1HD2 LEU 20 8.269 3.413 3.715
146 HD23 LEU 20 2HD2 LEU 20 7.127 4.182 2.613
147 H THR 21 H THR 21 8.277 -0.657 3.887
148 HA THR 21 HA THR 21 10.796 0.026 5.117
149 HB THR 21 HB THR 21 8.737 -2.077 5.871
150 HG1 THR 21 1HG THR 21 7.548 -0.343 6.034
151 HG21 THR 21 3HG2 THR 21 10.462 -2.480 7.354
152 HG22 THR 21 1HG2 THR 21 9.620 -1.190 8.214
153 HG23 THR 21 2HG2 THR 21 11.063 -0.824 7.270
154 H LEU 22 H LEU 22 9.704 -2.822 3.296
155 HA LEU 22 HA LEU 22 11.774 -4.647 4.106
156 HB2 LEU 22 2HB LEU 22 9.835 -4.372 1.837
157 HB3 LEU 22 1HB LEU 22 11.127 -5.558 1.686
158 HG LEU 22 HG LEU 22 9.336 -5.421 4.120
159 HD11 LEU 22 1HD1 LEU 22 7.920 -7.082 3.151
160 HD12 LEU 22 2HD1 LEU 22 9.010 -7.318 1.784
161 HD13 LEU 22 3HD1 LEU 22 8.085 -5.823 1.928
162 HD21 LEU 22 3HD2 LEU 22 11.433 -6.640 4.428
163 HD22 LEU 22 1HD2 LEU 22 11.158 -7.549 2.941
164 HD23 LEU 22 2HD2 LEU 22 10.107 -7.799 4.334
165 H SER 23 H SER 23 11.510 -2.862 0.988
166 HA SER 23 HA SER 23 14.362 -2.150 1.046
167 HB2 SER 23 2HB SER 23 13.767 -4.665 0.188
168 HB3 SER 23 1HB SER 23 13.624 -3.779 -1.326
169 HG SER 23 HG SER 23 15.723 -3.410 -1.290
170 HA PRO 24 HA PRO 24 11.978 0.948 -1.272
171 HB2 PRO 24 2HB PRO 24 13.899 2.893 -1.183
172 HB3 PRO 24 1HB PRO 24 12.795 2.557 0.169
173 HG2 PRO 24 2HG PRO 24 15.614 1.677 -0.221
174 HG3 PRO 24 1HG PRO 24 14.809 2.269 1.243
175 HD2 PRO 24 2HD PRO 24 15.256 -0.351 0.820
176 HD3 PRO 24 1HD PRO 24 13.828 0.242 1.698
177 H HIS 25 H HIS 25 12.056 1.497 -3.471
178 HA HIS 25 HA HIS 25 14.388 0.433 -5.021
179 HB2 HIS 25 2HB HIS 25 11.790 -0.248 -5.168
180 HB3 HIS 25 1HB HIS 25 11.772 1.110 -6.291
181 HD1 HIS 25 1HD HIS 25 14.237 -1.759 -5.694
182 HD2 HIS 25 2HD HIS 25 12.222 0.124 -8.822
183 HE1 HIS 25 1HE HIS 25 14.966 -2.922 -7.818
184 H TYR 26 H TYR 26 14.846 2.928 -3.922
185 HA TYR 26 HA TYR 26 14.127 5.031 -5.873
186 HB2 TYR 26 2HB TYR 26 14.270 5.219 -3.302
187 HB3 TYR 26 1HB TYR 26 16.018 5.225 -3.522
188 HD1 TYR 26 1HD TYR 26 17.134 7.062 -4.756
189 HD2 TYR 26 2HD TYR 26 12.908 7.106 -3.979
190 HE1 TYR 26 1HE TYR 26 17.054 9.474 -5.317
191 HE2 TYR 26 2HE TYR 26 12.831 9.519 -4.541
192 HH TYR 26 HH TYR 26 15.013 11.495 -4.464
193 H LYS 27 H LYS 27 15.598 5.970 -7.314
194 HA LYS 27 HA LYS 27 18.357 4.802 -7.446
195 HB2 LYS 27 2HB LYS 27 16.140 4.588 -9.267
196 HB3 LYS 27 1HB LYS 27 17.432 5.501 -10.045
197 HG2 LYS 27 2HG LYS 27 18.992 3.621 -9.125
198 HG3 LYS 27 1HG LYS 27 17.501 2.692 -8.963
199 HD2 LYS 27 2HD LYS 27 18.215 4.085 -11.546
200 HD3 LYS 27 1HD LYS 27 18.801 2.462 -11.185
201 HE2 LYS 27 2HE LYS 27 15.935 2.715 -10.644
202 HE3 LYS 27 1HE LYS 27 16.331 3.072 -12.335
203 HZ1 LYS 27 3HZ LYS 27 17.502 1.031 -12.543
204 HZ2 LYS 27 1HZ LYS 27 16.005 0.659 -11.839
205 HZ3 LYS 27 2HZ LYS 27 17.400 0.715 -10.872
Start of MODEL 36
1 H1 MET 1 1HT MET 1 -0.220 2.916 16.444
2 H2 MET 1 2HT MET 1 -1.411 4.119 16.587
3 H3 MET 1 3HT MET 1 -0.272 4.193 15.331
4 HA MET 1 HA MET 1 -2.471 3.410 14.555
5 HB2 MET 1 2HB MET 1 0.148 2.036 14.361
6 HB3 MET 1 1HB MET 1 -1.227 1.088 13.798
7 HG2 MET 1 2HG MET 1 -0.847 3.950 12.921
8 HG3 MET 1 1HG MET 1 -0.053 2.620 12.078
9 HE1 MET 1 2HE MET 1 -1.538 3.999 10.112
10 HE2 MET 1 3HE MET 1 -2.639 2.809 9.428
11 HE3 MET 1 1HE MET 1 -0.996 2.338 9.892
12 H ASP 2 H ASP 2 -4.212 2.713 15.723
13 HA ASP 2 HA ASP 2 -3.969 0.473 17.644
14 HB2 ASP 2 2HB ASP 2 -6.187 1.182 18.334
15 HB3 ASP 2 1HB ASP 2 -5.168 2.605 18.157
16 H ARG 3 H ARG 3 -5.429 1.143 14.468
17 HA ARG 3 HA ARG 3 -6.590 -1.608 14.419
18 HB2 ARG 3 2HB ARG 3 -7.015 0.961 12.895
19 HB3 ARG 3 1HB ARG 3 -7.650 -0.568 12.289
20 HG2 ARG 3 2HG ARG 3 -8.442 -0.662 14.914
21 HG3 ARG 3 1HG ARG 3 -8.549 1.064 14.580
22 HD2 ARG 3 2HD ARG 3 -9.705 -0.864 12.582
23 HD3 ARG 3 1HD ARG 3 -10.621 -0.480 14.052
24 HE ARG 3 HE ARG 3 -10.811 1.784 13.323
25 HH11 ARG 3 1HH1 ARG 3 -11.100 0.519 10.607
26 HH12 ARG 3 2HH1 ARG 3 -9.967 1.426 9.665
27 HH21 ARG 3 1HH2 ARG 3 -8.289 2.691 12.448
28 HH22 ARG 3 2HH2 ARG 3 -8.353 2.661 10.718
29 H GLU 4 H GLU 4 -3.728 -1.319 14.228
30 HA GLU 4 HA GLU 4 -2.698 -1.276 11.557
31 HB2 GLU 4 2HB GLU 4 -1.757 -1.557 14.189
32 HB3 GLU 4 1HB GLU 4 -1.292 -3.059 13.392
33 HG2 GLU 4 2HG GLU 4 -0.744 -0.308 12.245
34 HG3 GLU 4 1HG GLU 4 0.421 -1.226 13.197
35 H MET 5 H MET 5 -4.018 -3.909 13.558
36 HA MET 5 HA MET 5 -3.748 -5.796 11.245
37 HB2 MET 5 2HB MET 5 -2.748 -6.095 13.677
38 HB3 MET 5 1HB MET 5 -4.391 -6.600 14.066
39 HG2 MET 5 2HG MET 5 -4.078 -8.072 11.865
40 HG3 MET 5 1HG MET 5 -2.374 -7.913 12.291
41 HE1 MET 5 3HE MET 5 -5.678 -10.235 14.379
42 HE2 MET 5 1HE MET 5 -5.455 -9.903 12.653
43 HE3 MET 5 2HE MET 5 -5.913 -8.607 13.751
44 H ALA 6 H ALA 6 -5.946 -3.702 11.800
45 HA ALA 6 HA ALA 6 -8.312 -5.406 12.347
46 HB1 ALA 6 1HB ALA 6 -8.026 -2.439 11.776
47 HB2 ALA 6 2HB ALA 6 -8.039 -3.168 13.382
48 HB3 ALA 6 3HB ALA 6 -9.480 -3.243 12.368
49 H ALA 7 H ALA 7 -7.315 -3.091 9.761
50 HA ALA 7 HA ALA 7 -8.690 -4.861 7.766
51 HB1 ALA 7 1HB ALA 7 -10.173 -3.031 8.532
52 HB2 ALA 7 2HB ALA 7 -9.767 -2.882 6.822
53 HB3 ALA 7 3HB ALA 7 -8.966 -1.856 8.009
54 H SER 8 H SER 8 -5.732 -3.882 8.482
55 HA SER 8 HA SER 8 -3.774 -3.322 7.312
56 HB2 SER 8 2HB SER 8 -5.521 -4.928 5.493
57 HB3 SER 8 1HB SER 8 -4.054 -4.231 4.818
58 HG SER 8 HG SER 8 -3.676 -6.295 5.719
59 H ALA 9 H ALA 9 -5.656 -1.140 7.486
60 HA ALA 9 HA ALA 9 -6.187 0.941 6.533
61 HB1 ALA 9 1HB ALA 9 -3.529 0.317 5.209
62 HB2 ALA 9 2HB ALA 9 -3.739 1.025 6.810
63 HB3 ALA 9 3HB ALA 9 -4.232 1.925 5.376
64 H GLY 10 H GLY 10 -7.862 -0.595 5.348
65 HA2 GLY 10 2HA GLY 10 -9.209 -0.694 3.423
66 HA3 GLY 10 1HA GLY 10 -8.019 0.298 2.582
67 H GLY 11 H GLY 11 -6.825 -2.567 4.166
68 HA2 GLY 11 2HA GLY 11 -5.803 -4.477 3.315
69 HA3 GLY 11 1HA GLY 11 -7.202 -4.581 2.246
70 H ALA 12 H ALA 12 -4.687 -2.068 2.373
71 HA ALA 12 HA ALA 12 -3.349 -2.978 -0.071
72 HB1 ALA 12 1HB ALA 12 -4.100 -1.004 -1.400
73 HB2 ALA 12 2HB ALA 12 -5.194 -0.564 -0.090
74 HB3 ALA 12 3HB ALA 12 -5.441 -2.068 -0.977
75 H VAL 13 H VAL 13 -4.065 0.042 1.754
76 HA VAL 13 HA VAL 13 -1.546 1.311 1.392
77 HB VAL 13 HB VAL 13 -3.636 1.434 3.580
78 HG11 VAL 13 1HG1 VAL 13 -1.166 3.117 3.155
79 HG12 VAL 13 2HG1 VAL 13 -1.709 2.329 4.637
80 HG13 VAL 13 3HG1 VAL 13 -2.577 3.733 4.016
81 HG21 VAL 13 3HG2 VAL 13 -4.142 3.617 2.394
82 HG22 VAL 13 1HG2 VAL 13 -4.482 2.168 1.450
83 HG23 VAL 13 2HG2 VAL 13 -3.024 3.106 1.130
84 H PHE 14 H PHE 14 -2.557 -1.127 3.792
85 HA PHE 14 HA PHE 14 -0.299 -0.968 5.551
86 HB2 PHE 14 2HB PHE 14 -2.325 -2.169 6.136
87 HB3 PHE 14 1HB PHE 14 -2.154 -3.234 4.743
88 HD1 PHE 14 2HD PHE 14 -0.098 -2.100 7.688
89 HD2 PHE 14 1HD PHE 14 -1.285 -5.350 5.145
90 HE1 PHE 14 2HE PHE 14 1.270 -3.660 9.041
91 HE2 PHE 14 1HE PHE 14 0.084 -6.910 6.500
92 HZ PHE 14 HZ PHE 14 1.363 -6.066 8.447
93 H VAL 15 H VAL 15 -0.903 -3.127 2.746
94 HA VAL 15 HA VAL 15 1.616 -4.470 2.730
95 HB VAL 15 HB VAL 15 -0.416 -3.798 0.576
96 HG11 VAL 15 1HG1 VAL 15 0.727 -5.783 -0.627
97 HG12 VAL 15 2HG1 VAL 15 2.103 -5.460 0.428
98 HG13 VAL 15 3HG1 VAL 15 1.541 -4.219 -0.692
99 HG21 VAL 15 3HG2 VAL 15 -1.048 -5.322 2.499
100 HG22 VAL 15 1HG2 VAL 15 0.213 -6.427 1.953
101 HG23 VAL 15 2HG2 VAL 15 -1.162 -6.071 0.908
102 H GLY 16 H GLY 16 0.599 -1.385 1.242
103 HA2 GLY 16 2HA GLY 16 2.948 -0.906 -0.309
104 HA3 GLY 16 1HA GLY 16 1.851 0.345 0.276
105 H LEU 17 H LEU 17 2.147 -0.090 3.072
106 HA LEU 17 HA LEU 17 4.567 1.398 3.623
107 HB2 LEU 17 2HB LEU 17 2.213 0.339 5.044
108 HB3 LEU 17 1HB LEU 17 3.670 0.387 6.035
109 HG LEU 17 HG LEU 17 3.931 2.805 5.003
110 HD11 LEU 17 1HD1 LEU 17 0.929 2.391 4.883
111 HD12 LEU 17 2HD1 LEU 17 1.978 2.503 3.469
112 HD13 LEU 17 3HD1 LEU 17 1.800 3.887 4.547
113 HD21 LEU 17 3HD2 LEU 17 1.763 2.367 7.070
114 HD22 LEU 17 1HD2 LEU 17 2.918 3.695 6.971
115 HD23 LEU 17 2HD2 LEU 17 3.467 2.083 7.426
116 H VAL 18 H VAL 18 3.634 -2.021 4.125
117 HA VAL 18 HA VAL 18 6.057 -2.845 5.452
118 HB VAL 18 HB VAL 18 4.069 -4.396 3.739
119 HG11 VAL 18 1HG1 VAL 18 6.491 -5.328 4.572
120 HG12 VAL 18 2HG1 VAL 18 5.063 -6.346 4.395
121 HG13 VAL 18 3HG1 VAL 18 5.501 -5.711 5.980
122 HG21 VAL 18 3HG2 VAL 18 3.604 -3.046 6.115
123 HG22 VAL 18 1HG2 VAL 18 3.980 -4.678 6.668
124 HG23 VAL 18 2HG2 VAL 18 2.663 -4.415 5.528
125 H LEU 19 H LEU 19 5.084 -2.685 2.026
126 HA LEU 19 HA LEU 19 7.458 -3.921 0.915
127 HB2 LEU 19 2HB LEU 19 5.272 -3.681 -0.244
128 HB3 LEU 19 1HB LEU 19 5.457 -1.930 -0.228
129 HG LEU 19 HG LEU 19 7.802 -3.228 -1.379
130 HD11 LEU 19 1HD1 LEU 19 6.715 -4.026 -3.438
131 HD12 LEU 19 2HD1 LEU 19 5.131 -3.678 -2.747
132 HD13 LEU 19 3HD1 LEU 19 6.142 -4.939 -2.043
133 HD21 LEU 19 3HD2 LEU 19 5.741 -1.277 -2.466
134 HD22 LEU 19 1HD2 LEU 19 7.306 -1.623 -3.201
135 HD23 LEU 19 2HD2 LEU 19 7.229 -0.839 -1.624
136 H LEU 20 H LEU 20 6.593 -0.559 1.772
137 HA LEU 20 HA LEU 20 8.869 0.715 0.586
138 HB2 LEU 20 2HB LEU 20 6.792 1.815 1.507
139 HB3 LEU 20 1HB LEU 20 7.362 1.436 3.131
140 HG LEU 20 HG LEU 20 9.372 2.796 1.459
141 HD11 LEU 20 1HD1 LEU 20 6.859 4.274 2.302
142 HD12 LEU 20 2HD1 LEU 20 7.326 3.920 0.639
143 HD13 LEU 20 3HD1 LEU 20 8.309 5.009 1.617
144 HD21 LEU 20 3HD2 LEU 20 8.183 3.371 4.196
145 HD22 LEU 20 1HD2 LEU 20 9.651 4.093 3.536
146 HD23 LEU 20 2HD2 LEU 20 9.601 2.367 3.894
147 H THR 21 H THR 21 8.368 -1.044 3.609
148 HA THR 21 HA THR 21 11.184 -0.579 4.448
149 HB THR 21 HB THR 21 8.971 -2.020 5.943
150 HG1 THR 21 1HG THR 21 8.029 -0.129 5.879
151 HG21 THR 21 3HG2 THR 21 10.354 -0.887 7.867
152 HG22 THR 21 1HG2 THR 21 11.623 -0.807 6.644
153 HG23 THR 21 2HG2 THR 21 10.949 -2.368 7.115
154 H LEU 22 H LEU 22 10.372 -2.303 2.137
155 HA LEU 22 HA LEU 22 10.995 -4.313 1.176
156 HB2 LEU 22 2HB LEU 22 12.988 -3.586 2.764
157 HB3 LEU 22 1HB LEU 22 12.526 -5.059 3.613
158 HG LEU 22 HG LEU 22 12.820 -5.168 0.634
159 HD11 LEU 22 1HD1 LEU 22 15.139 -5.254 2.588
160 HD12 LEU 22 2HD1 LEU 22 14.849 -3.990 1.392
161 HD13 LEU 22 3HD1 LEU 22 15.232 -5.630 0.867
162 HD21 LEU 22 3HD2 LEU 22 13.628 -7.463 1.220
163 HD22 LEU 22 1HD2 LEU 22 12.011 -7.138 1.847
164 HD23 LEU 22 2HD2 LEU 22 13.405 -7.076 2.926
165 H SER 23 H SER 23 8.817 -5.008 1.394
166 HA SER 23 HA SER 23 7.823 -6.544 3.650
167 HB2 SER 23 2HB SER 23 6.423 -5.327 1.978
168 HB3 SER 23 1HB SER 23 6.918 -6.492 0.755
169 HG SER 23 HG SER 23 5.210 -7.523 1.500
170 HA PRO 24 HA PRO 24 9.763 -10.404 2.570
171 HB2 PRO 24 2HB PRO 24 8.350 -12.051 4.229
172 HB3 PRO 24 1HB PRO 24 9.610 -10.943 4.809
173 HG2 PRO 24 2HG PRO 24 6.672 -10.700 4.970
174 HG3 PRO 24 1HG PRO 24 7.921 -10.126 6.083
175 HD2 PRO 24 2HD PRO 24 6.548 -8.555 4.259
176 HD3 PRO 24 1HD PRO 24 8.081 -8.125 5.045
177 H HIS 25 H HIS 25 8.889 -10.427 0.368
178 HA HIS 25 HA HIS 25 6.224 -11.600 -0.123
179 HB2 HIS 25 2HB HIS 25 7.879 -9.807 -1.425
180 HB3 HIS 25 1HB HIS 25 8.087 -11.274 -2.382
181 HD1 HIS 25 1HD HIS 25 5.920 -8.427 -2.102
182 HD2 HIS 25 2HD HIS 25 5.338 -12.451 -3.025
183 HE1 HIS 25 1HE HIS 25 3.680 -8.576 -3.270
184 H TYR 26 H TYR 26 9.648 -12.530 -0.649
185 HA TYR 26 HA TYR 26 8.740 -15.343 -1.177
186 HB2 TYR 26 2HB TYR 26 10.835 -13.538 -2.286
187 HB3 TYR 26 1HB TYR 26 11.282 -15.233 -2.112
188 HD1 TYR 26 2HD TYR 26 9.934 -17.011 -3.244
189 HD2 TYR 26 1HD TYR 26 9.241 -12.828 -3.941
190 HE1 TYR 26 2HE TYR 26 8.653 -17.563 -5.294
191 HE2 TYR 26 1HE TYR 26 7.961 -13.382 -5.990
192 HH TYR 26 HH TYR 26 8.135 -15.896 -7.643
193 H LYS 27 H LYS 27 8.743 -14.930 1.440
194 HA LYS 27 HA LYS 27 11.380 -15.966 2.430
195 HB2 LYS 27 2HB LYS 27 10.588 -13.502 2.918
196 HB3 LYS 27 1HB LYS 27 9.539 -14.276 4.105
197 HG2 LYS 27 2HG LYS 27 12.440 -15.035 4.038
198 HG3 LYS 27 1HG LYS 27 11.982 -13.501 4.773
199 HD2 LYS 27 2HD LYS 27 11.486 -14.641 6.653
200 HD3 LYS 27 1HD LYS 27 10.127 -15.349 5.783
201 HE2 LYS 27 2HE LYS 27 11.287 -17.266 6.486
202 HE3 LYS 27 1HE LYS 27 11.968 -17.023 4.868
203 HZ1 LYS 27 3HZ LYS 27 13.703 -17.292 6.566
204 HZ2 LYS 27 1HZ LYS 27 13.130 -15.917 7.375
205 HZ3 LYS 27 2HZ LYS 27 13.781 -15.773 5.809
Start of MODEL 37
1 H1 MET 1 1HT MET 1 -3.571 -19.228 19.257
2 H2 MET 1 2HT MET 1 -3.724 -20.171 17.854
3 H3 MET 1 3HT MET 1 -5.082 -19.864 18.821
4 HA MET 1 HA MET 1 -5.073 -18.508 16.784
5 HB2 MET 1 2HB MET 1 -5.598 -16.429 17.986
6 HB3 MET 1 1HB MET 1 -6.210 -17.823 18.867
7 HG2 MET 1 2HG MET 1 -5.011 -17.239 20.680
8 HG3 MET 1 1HG MET 1 -3.518 -17.259 19.744
9 HE1 MET 1 2HE MET 1 -2.166 -15.641 20.254
10 HE2 MET 1 3HE MET 1 -2.958 -15.090 21.727
11 HE3 MET 1 1HE MET 1 -2.449 -13.921 20.496
12 H ASP 2 H ASP 2 -4.025 -16.933 15.497
13 HA ASP 2 HA ASP 2 -1.285 -16.051 16.298
14 HB2 ASP 2 2HB ASP 2 -1.643 -18.273 14.813
15 HB3 ASP 2 1HB ASP 2 -1.687 -17.067 13.526
16 H ARG 3 H ARG 3 -0.448 -14.461 14.500
17 HA ARG 3 HA ARG 3 -2.725 -12.694 13.650
18 HB2 ARG 3 2HB ARG 3 -1.081 -11.977 15.464
19 HB3 ARG 3 1HB ARG 3 0.148 -11.927 14.203
20 HG2 ARG 3 2HG ARG 3 -0.584 -9.928 13.488
21 HG3 ARG 3 1HG ARG 3 -2.222 -10.546 13.303
22 HD2 ARG 3 2HD ARG 3 -2.567 -8.899 14.921
23 HD3 ARG 3 1HD ARG 3 -2.254 -10.301 15.961
24 HE ARG 3 HE ARG 3 -0.243 -9.262 16.616
25 HH11 ARG 3 1HH1 ARG 3 -1.526 -6.738 15.247
26 HH12 ARG 3 2HH1 ARG 3 -0.161 -6.168 14.348
27 HH21 ARG 3 1HH2 ARG 3 1.645 -9.128 14.727
28 HH22 ARG 3 2HH2 ARG 3 1.654 -7.531 14.058
29 H GLU 4 H GLU 4 -2.997 -13.549 11.529
30 HA GLU 4 HA GLU 4 -0.663 -13.754 9.716
31 HB2 GLU 4 2HB GLU 4 -3.632 -14.324 9.483
32 HB3 GLU 4 1HB GLU 4 -2.513 -14.519 8.133
33 HG2 GLU 4 2HG GLU 4 -1.149 -16.073 9.528
34 HG3 GLU 4 1HG GLU 4 -2.350 -15.935 10.810
35 H MET 5 H MET 5 -3.836 -12.048 9.594
36 HA MET 5 HA MET 5 -2.908 -10.209 7.530
37 HB2 MET 5 2HB MET 5 -5.146 -9.232 7.794
38 HB3 MET 5 1HB MET 5 -5.248 -10.985 7.730
39 HG2 MET 5 2HG MET 5 -5.058 -10.677 10.402
40 HG3 MET 5 1HG MET 5 -5.798 -9.130 9.996
41 HE1 MET 5 3HE MET 5 -7.913 -12.683 11.024
42 HE2 MET 5 1HE MET 5 -7.593 -11.150 11.852
43 HE3 MET 5 2HE MET 5 -6.256 -12.163 11.316
44 H ALA 6 H ALA 6 -3.398 -9.993 11.056
45 HA ALA 6 HA ALA 6 -2.825 -8.348 12.629
46 HB1 ALA 6 1HB ALA 6 -0.685 -9.354 11.507
47 HB2 ALA 6 2HB ALA 6 -0.527 -7.940 12.547
48 HB3 ALA 6 3HB ALA 6 -0.523 -7.749 10.795
49 H ALA 7 H ALA 7 -4.727 -7.340 10.763
50 HA ALA 7 HA ALA 7 -5.678 -5.339 10.018
51 HB1 ALA 7 1HB ALA 7 -5.201 -3.439 11.356
52 HB2 ALA 7 2HB ALA 7 -3.543 -3.959 11.653
53 HB3 ALA 7 3HB ALA 7 -4.886 -4.812 12.418
54 H SER 8 H SER 8 -4.986 -5.653 7.848
55 HA SER 8 HA SER 8 -2.395 -4.496 6.980
56 HB2 SER 8 2HB SER 8 -4.492 -5.762 5.226
57 HB3 SER 8 1HB SER 8 -2.751 -5.718 4.997
58 HG SER 8 HG SER 8 -2.619 -7.084 6.895
59 H ALA 9 H ALA 9 -4.854 -2.781 7.835
60 HA ALA 9 HA ALA 9 -6.063 -0.908 7.078
61 HB1 ALA 9 1HB ALA 9 -3.556 -0.363 7.214
62 HB2 ALA 9 2HB ALA 9 -4.551 0.736 6.257
63 HB3 ALA 9 3HB ALA 9 -3.554 -0.473 5.454
64 H GLY 10 H GLY 10 -7.403 -2.598 5.808
65 HA2 GLY 10 2HA GLY 10 -8.714 -2.974 3.902
66 HA3 GLY 10 1HA GLY 10 -7.931 -1.581 3.160
67 H GLY 11 H GLY 11 -5.762 -4.030 4.312
68 HA2 GLY 11 2HA GLY 11 -4.296 -5.445 3.194
69 HA3 GLY 11 1HA GLY 11 -5.672 -5.863 2.175
70 H ALA 12 H ALA 12 -4.311 -2.618 2.434
71 HA ALA 12 HA ALA 12 -2.853 -2.836 -0.129
72 HB1 ALA 12 1HB ALA 12 -5.303 -1.079 0.267
73 HB2 ALA 12 2HB ALA 12 -5.221 -2.508 -0.763
74 HB3 ALA 12 3HB ALA 12 -4.268 -1.077 -1.161
75 H VAL 13 H VAL 13 -4.294 -0.387 2.082
76 HA VAL 13 HA VAL 13 -2.259 1.585 1.848
77 HB VAL 13 HB VAL 13 -4.152 0.837 4.101
78 HG11 VAL 13 1HG1 VAL 13 -2.641 3.440 3.745
79 HG12 VAL 13 2HG1 VAL 13 -2.210 2.197 4.920
80 HG13 VAL 13 3HG1 VAL 13 -3.757 3.033 5.048
81 HG21 VAL 13 3HG2 VAL 13 -5.293 1.498 2.061
82 HG22 VAL 13 1HG2 VAL 13 -4.246 2.907 1.886
83 HG23 VAL 13 2HG2 VAL 13 -5.403 2.826 3.216
84 H PHE 14 H PHE 14 -2.469 -1.284 3.962
85 HA PHE 14 HA PHE 14 0.027 -0.624 5.388
86 HB2 PHE 14 2HB PHE 14 -2.162 -1.933 6.120
87 HB3 PHE 14 1HB PHE 14 -1.311 -3.310 5.423
88 HD1 PHE 14 1HD PHE 14 0.877 -4.037 6.350
89 HD2 PHE 14 2HD PHE 14 -1.408 -0.882 8.161
90 HE1 PHE 14 1HE PHE 14 2.246 -4.226 8.406
91 HE2 PHE 14 2HE PHE 14 -0.037 -1.073 10.218
92 HZ PHE 14 HZ PHE 14 1.790 -2.744 10.340
93 H VAL 15 H VAL 15 -1.051 -2.789 2.777
94 HA VAL 15 HA VAL 15 1.239 -4.451 2.516
95 HB VAL 15 HB VAL 15 -0.728 -3.359 0.471
96 HG11 VAL 15 1HG1 VAL 15 1.031 -4.190 -0.859
97 HG12 VAL 15 2HG1 VAL 15 -0.061 -5.567 -0.723
98 HG13 VAL 15 3HG1 VAL 15 1.394 -5.495 0.271
99 HG21 VAL 15 3HG2 VAL 15 -1.736 -5.656 0.776
100 HG22 VAL 15 1HG2 VAL 15 -1.838 -4.633 2.210
101 HG23 VAL 15 2HG2 VAL 15 -0.621 -5.904 2.119
102 H GLY 16 H GLY 16 0.574 -1.231 1.090
103 HA2 GLY 16 2HA GLY 16 2.963 -1.054 -0.482
104 HA3 GLY 16 1HA GLY 16 2.000 0.320 0.059
105 H LEU 17 H LEU 17 2.226 0.022 2.847
106 HA LEU 17 HA LEU 17 4.768 1.256 3.392
107 HB2 LEU 17 2HB LEU 17 2.322 0.971 4.649
108 HB3 LEU 17 1HB LEU 17 3.378 -0.016 5.658
109 HG LEU 17 HG LEU 17 4.198 2.761 4.808
110 HD11 LEU 17 1HD1 LEU 17 3.243 3.647 6.860
111 HD12 LEU 17 2HD1 LEU 17 2.669 2.046 7.327
112 HD13 LEU 17 3HD1 LEU 17 1.963 2.865 5.932
113 HD21 LEU 17 3HD2 LEU 17 5.429 2.544 7.041
114 HD22 LEU 17 1HD2 LEU 17 5.984 1.468 5.758
115 HD23 LEU 17 2HD2 LEU 17 4.943 0.849 7.041
116 H VAL 18 H VAL 18 3.604 -2.107 3.901
117 HA VAL 18 HA VAL 18 5.880 -3.102 5.317
118 HB VAL 18 HB VAL 18 3.877 -4.363 3.413
119 HG11 VAL 18 1HG1 VAL 18 6.110 -5.635 5.002
120 HG12 VAL 18 2HG1 VAL 18 5.684 -5.891 3.309
121 HG13 VAL 18 3HG1 VAL 18 4.651 -6.534 4.584
122 HG21 VAL 18 3HG2 VAL 18 4.150 -4.702 6.407
123 HG22 VAL 18 1HG2 VAL 18 2.755 -5.071 5.393
124 HG23 VAL 18 2HG2 VAL 18 3.203 -3.393 5.701
125 H LEU 19 H LEU 19 5.221 -2.918 1.807
126 HA LEU 19 HA LEU 19 7.685 -4.118 0.914
127 HB2 LEU 19 2HB LEU 19 5.318 -3.344 -0.203
128 HB3 LEU 19 1HB LEU 19 6.360 -2.028 -0.736
129 HG LEU 19 HG LEU 19 7.987 -3.758 -1.584
130 HD11 LEU 19 1HD1 LEU 19 7.012 -6.054 -1.944
131 HD12 LEU 19 2HD1 LEU 19 5.678 -5.599 -0.884
132 HD13 LEU 19 3HD1 LEU 19 7.323 -5.671 -0.251
133 HD21 LEU 19 3HD2 LEU 19 5.157 -3.732 -2.680
134 HD22 LEU 19 1HD2 LEU 19 6.541 -4.392 -3.551
135 HD23 LEU 19 2HD2 LEU 19 6.488 -2.675 -3.152
136 H LEU 20 H LEU 20 6.705 -0.784 1.626
137 HA LEU 20 HA LEU 20 8.986 0.638 0.681
138 HB2 LEU 20 2HB LEU 20 6.593 1.066 2.215
139 HB3 LEU 20 1HB LEU 20 7.930 1.835 3.061
140 HG LEU 20 HG LEU 20 8.575 2.826 0.767
141 HD11 LEU 20 1HD1 LEU 20 5.666 2.340 0.133
142 HD12 LEU 20 2HD1 LEU 20 6.909 1.203 -0.387
143 HD13 LEU 20 3HD1 LEU 20 6.953 2.874 -0.947
144 HD21 LEU 20 3HD2 LEU 20 6.061 3.594 2.272
145 HD22 LEU 20 1HD2 LEU 20 6.760 4.603 1.005
146 HD23 LEU 20 2HD2 LEU 20 7.681 4.260 2.469
147 H THR 21 H THR 21 8.331 -0.905 3.838
148 HA THR 21 HA THR 21 10.839 -0.087 5.072
149 HB THR 21 HB THR 21 8.914 -2.331 5.780
150 HG1 THR 21 1HG THR 21 7.604 -0.797 6.310
151 HG21 THR 21 3HG2 THR 21 11.161 -2.286 6.944
152 HG22 THR 21 1HG2 THR 21 9.771 -2.125 8.016
153 HG23 THR 21 2HG2 THR 21 10.719 -0.703 7.583
154 H LEU 22 H LEU 22 9.756 -2.901 3.209
155 HA LEU 22 HA LEU 22 11.872 -4.725 3.791
156 HB2 LEU 22 2HB LEU 22 9.685 -5.179 2.655
157 HB3 LEU 22 1HB LEU 22 10.301 -4.357 1.223
158 HG LEU 22 HG LEU 22 12.108 -6.438 2.278
159 HD11 LEU 22 1HD1 LEU 22 10.810 -8.334 1.635
160 HD12 LEU 22 2HD1 LEU 22 9.550 -7.322 0.928
161 HD13 LEU 22 3HD1 LEU 22 9.763 -7.369 2.678
162 HD21 LEU 22 3HD2 LEU 22 12.506 -6.814 -0.015
163 HD22 LEU 22 1HD2 LEU 22 12.133 -5.090 0.040
164 HD23 LEU 22 2HD2 LEU 22 10.905 -6.242 -0.483
165 H SER 23 H SER 23 11.668 -2.075 1.392
166 HA SER 23 HA SER 23 14.576 -2.529 0.786
167 HB2 SER 23 2HB SER 23 13.930 -1.648 -1.514
168 HB3 SER 23 1HB SER 23 13.283 -3.227 -1.101
169 HG SER 23 HG SER 23 11.312 -2.380 -0.967
170 HA PRO 24 HA PRO 24 14.003 1.860 2.128
171 HB2 PRO 24 2HB PRO 24 15.410 1.770 4.467
172 HB3 PRO 24 1HB PRO 24 13.691 1.352 4.353
173 HG2 PRO 24 2HG PRO 24 15.987 -0.381 4.795
174 HG3 PRO 24 1HG PRO 24 14.270 -0.685 5.081
175 HD2 PRO 24 2HD PRO 24 15.900 -1.556 2.875
176 HD3 PRO 24 1HD PRO 24 14.202 -1.944 3.222
177 H HIS 25 H HIS 25 15.810 1.102 0.126
178 HA HIS 25 HA HIS 25 18.113 2.827 0.690
179 HB2 HIS 25 2HB HIS 25 18.484 0.423 1.655
180 HB3 HIS 25 1HB HIS 25 18.738 -0.032 -0.031
181 HD1 HIS 25 1HD HIS 25 20.743 1.147 -1.291
182 HD2 HIS 25 2HD HIS 25 20.587 1.890 2.810
183 HE1 HIS 25 1HE HIS 25 22.988 2.134 -0.654
184 H TYR 26 H TYR 26 16.880 3.799 -1.169
185 HA TYR 26 HA TYR 26 16.623 4.309 -3.446
186 HB2 TYR 26 2HB TYR 26 19.188 2.685 -3.573
187 HB3 TYR 26 1HB TYR 26 18.630 3.813 -4.804
188 HD1 TYR 26 2HD TYR 26 18.550 6.256 -4.336
189 HD2 TYR 26 1HD TYR 26 20.163 3.456 -1.504
190 HE1 TYR 26 2HE TYR 26 19.628 8.119 -3.105
191 HE2 TYR 26 1HE TYR 26 21.241 5.317 -0.274
192 HH TYR 26 HH TYR 26 20.572 8.063 -0.148
193 H LYS 27 H LYS 27 14.761 2.648 -3.125
194 HA LYS 27 HA LYS 27 13.393 1.007 -4.069
195 HB2 LYS 27 2HB LYS 27 15.322 1.840 -6.131
196 HB3 LYS 27 1HB LYS 27 14.648 0.239 -6.417
197 HG2 LYS 27 2HG LYS 27 12.541 2.006 -5.563
198 HG3 LYS 27 1HG LYS 27 13.416 2.746 -6.903
199 HD2 LYS 27 2HD LYS 27 13.228 0.434 -8.049
200 HD3 LYS 27 1HD LYS 27 11.992 0.088 -6.838
201 HE2 LYS 27 2HE LYS 27 10.772 2.165 -7.553
202 HE3 LYS 27 1HE LYS 27 11.956 2.357 -8.861
203 HZ1 LYS 27 3HZ LYS 27 10.071 1.108 -9.668
204 HZ2 LYS 27 1HZ LYS 27 10.215 -0.012 -8.404
205 HZ3 LYS 27 2HZ LYS 27 11.428 0.086 -9.593
Start of MODEL 38
1 H1 MET 1 1HT MET 1 -12.133 -15.574 4.621
2 H2 MET 1 2HT MET 1 -12.356 -13.947 5.047
3 H3 MET 1 3HT MET 1 -12.092 -15.113 6.253
4 HA MET 1 HA MET 1 -10.121 -13.676 5.703
5 HB2 MET 1 2HB MET 1 -8.612 -15.670 5.767
6 HB3 MET 1 1HB MET 1 -9.939 -15.781 6.915
7 HG2 MET 1 2HG MET 1 -10.523 -16.949 4.261
8 HG3 MET 1 1HG MET 1 -9.239 -17.761 5.153
9 HE1 MET 1 2HE MET 1 -10.583 -20.029 5.439
10 HE2 MET 1 3HE MET 1 -11.650 -19.214 4.300
11 HE3 MET 1 1HE MET 1 -12.321 -20.031 5.722
12 H ASP 2 H ASP 2 -10.908 -12.705 3.538
13 HA ASP 2 HA ASP 2 -10.137 -14.076 1.074
14 HB2 ASP 2 2HB ASP 2 -11.486 -11.606 1.934
15 HB3 ASP 2 1HB ASP 2 -10.507 -11.400 0.480
16 H ARG 3 H ARG 3 -8.194 -13.963 0.046
17 HA ARG 3 HA ARG 3 -6.066 -12.180 1.181
18 HB2 ARG 3 2HB ARG 3 -6.067 -14.849 -0.232
19 HB3 ARG 3 1HB ARG 3 -4.590 -13.923 0.027
20 HG2 ARG 3 2HG ARG 3 -5.144 -13.865 2.486
21 HG3 ARG 3 1HG ARG 3 -6.473 -14.975 2.157
22 HD2 ARG 3 2HD ARG 3 -3.622 -15.606 1.338
23 HD3 ARG 3 1HD ARG 3 -4.285 -16.075 2.915
24 HE ARG 3 HE ARG 3 -6.224 -17.013 1.261
25 HH11 ARG 3 1HH1 ARG 3 -4.382 -17.016 -1.056
26 HH12 ARG 3 2HH1 ARG 3 -3.652 -18.582 -0.969
27 HH21 ARG 3 1HH2 ARG 3 -4.606 -19.112 2.344
28 HH22 ARG 3 2HH2 ARG 3 -3.779 -19.784 0.979
29 H GLU 4 H GLU 4 -8.058 -12.515 -1.596
30 HA GLU 4 HA GLU 4 -6.088 -11.543 -3.550
31 HB2 GLU 4 2HB GLU 4 -9.105 -11.868 -3.717
32 HB3 GLU 4 1HB GLU 4 -7.996 -11.700 -5.078
33 HG2 GLU 4 2HG GLU 4 -6.843 -13.800 -4.328
34 HG3 GLU 4 1HG GLU 4 -8.089 -13.997 -3.099
35 H MET 5 H MET 5 -9.063 -10.248 -2.010
36 HA MET 5 HA MET 5 -8.708 -7.566 -3.097
37 HB2 MET 5 2HB MET 5 -10.447 -8.839 -0.974
38 HB3 MET 5 1HB MET 5 -10.514 -7.109 -1.305
39 HG2 MET 5 2HG MET 5 -12.059 -7.680 -2.870
40 HG3 MET 5 1HG MET 5 -10.665 -8.153 -3.838
41 HE1 MET 5 3HE MET 5 -13.899 -9.399 -2.013
42 HE2 MET 5 1HE MET 5 -12.622 -9.300 -0.787
43 HE3 MET 5 2HE MET 5 -13.302 -10.861 -1.231
44 H ALA 6 H ALA 6 -8.049 -9.118 0.051
45 HA ALA 6 HA ALA 6 -6.816 -8.437 1.921
46 HB1 ALA 6 1HB ALA 6 -5.315 -6.901 -0.216
47 HB2 ALA 6 2HB ALA 6 -5.134 -8.630 0.081
48 HB3 ALA 6 3HB ALA 6 -4.670 -7.468 1.324
49 H ALA 7 H ALA 7 -9.168 -6.816 1.430
50 HA ALA 7 HA ALA 7 -10.170 -4.796 2.058
51 HB1 ALA 7 1HB ALA 7 -9.242 -5.553 4.186
52 HB2 ALA 7 2HB ALA 7 -9.124 -3.797 4.075
53 HB3 ALA 7 3HB ALA 7 -7.696 -4.794 3.805
54 H SER 8 H SER 8 -9.814 -3.846 -0.058
55 HA SER 8 HA SER 8 -7.531 -2.374 -0.902
56 HB2 SER 8 2HB SER 8 -10.459 -1.858 -1.505
57 HB3 SER 8 1HB SER 8 -9.092 -1.338 -2.481
58 HG SER 8 HG SER 8 -8.598 -3.540 -2.822
59 H ALA 9 H ALA 9 -10.250 -1.372 1.172
60 HA ALA 9 HA ALA 9 -9.222 1.416 1.280
61 HB1 ALA 9 1HB ALA 9 -11.673 0.035 2.424
62 HB2 ALA 9 2HB ALA 9 -11.618 1.029 0.968
63 HB3 ALA 9 3HB ALA 9 -11.350 1.765 2.549
64 H GLY 10 H GLY 10 -7.270 -0.007 2.369
65 HA2 GLY 10 2HA GLY 10 -6.616 0.892 4.826
66 HA3 GLY 10 1HA GLY 10 -7.706 -0.422 5.262
67 H GLY 11 H GLY 11 -7.169 -2.570 4.153
68 HA2 GLY 11 2HA GLY 11 -4.630 -3.513 4.910
69 HA3 GLY 11 1HA GLY 11 -5.684 -4.333 3.763
70 H ALA 12 H ALA 12 -5.693 -2.381 1.684
71 HA ALA 12 HA ALA 12 -3.350 -3.041 0.202
72 HB1 ALA 12 1HB ALA 12 -4.160 -1.246 -1.315
73 HB2 ALA 12 2HB ALA 12 -5.260 -0.695 -0.052
74 HB3 ALA 12 3HB ALA 12 -5.477 -2.288 -0.776
75 H VAL 13 H VAL 13 -4.137 -0.074 2.047
76 HA VAL 13 HA VAL 13 -1.748 1.396 1.469
77 HB VAL 13 HB VAL 13 -3.627 1.401 3.862
78 HG11 VAL 13 1HG1 VAL 13 -2.780 3.711 4.245
79 HG12 VAL 13 2HG1 VAL 13 -1.570 3.457 2.987
80 HG13 VAL 13 3HG1 VAL 13 -1.520 2.497 4.467
81 HG21 VAL 13 3HG2 VAL 13 -4.769 1.924 1.771
82 HG22 VAL 13 1HG2 VAL 13 -3.498 3.064 1.324
83 HG23 VAL 13 2HG2 VAL 13 -4.561 3.415 2.687
84 H PHE 14 H PHE 14 -2.536 -0.964 4.028
85 HA PHE 14 HA PHE 14 -0.095 -0.746 5.533
86 HB2 PHE 14 2HB PHE 14 -2.045 -1.778 6.484
87 HB3 PHE 14 1HB PHE 14 -2.189 -2.902 5.138
88 HD1 PHE 14 2HD PHE 14 0.191 -1.910 7.867
89 HD2 PHE 14 1HD PHE 14 -1.274 -5.046 5.323
90 HE1 PHE 14 2HE PHE 14 1.598 -3.551 9.081
91 HE2 PHE 14 1HE PHE 14 0.132 -6.688 6.539
92 HZ PHE 14 HZ PHE 14 1.568 -5.941 8.417
93 H VAL 15 H VAL 15 -1.074 -2.884 2.831
94 HA VAL 15 HA VAL 15 1.271 -4.505 2.684
95 HB VAL 15 HB VAL 15 -0.698 -3.551 0.573
96 HG11 VAL 15 1HG1 VAL 15 1.376 -4.369 -0.492
97 HG12 VAL 15 2HG1 VAL 15 0.044 -5.495 -0.755
98 HG13 VAL 15 3HG1 VAL 15 1.276 -5.856 0.454
99 HG21 VAL 15 3HG2 VAL 15 -1.161 -5.140 2.756
100 HG22 VAL 15 1HG2 VAL 15 -0.714 -6.346 1.548
101 HG23 VAL 15 2HG2 VAL 15 -2.063 -5.251 1.246
102 H GLY 16 H GLY 16 0.508 -1.363 1.145
103 HA2 GLY 16 2HA GLY 16 2.906 -1.128 -0.400
104 HA3 GLY 16 1HA GLY 16 1.883 0.221 0.095
105 H LEU 17 H LEU 17 2.105 -0.143 2.926
106 HA LEU 17 HA LEU 17 4.521 1.302 3.511
107 HB2 LEU 17 2HB LEU 17 2.308 1.264 4.762
108 HB3 LEU 17 1HB LEU 17 2.779 -0.310 5.401
109 HG LEU 17 HG LEU 17 4.915 1.655 5.706
110 HD11 LEU 17 1HD1 LEU 17 3.839 3.067 7.367
111 HD12 LEU 17 2HD1 LEU 17 2.320 2.191 7.183
112 HD13 LEU 17 3HD1 LEU 17 2.933 3.182 5.859
113 HD21 LEU 17 3HD2 LEU 17 3.319 0.133 7.790
114 HD22 LEU 17 1HD2 LEU 17 4.964 0.751 7.944
115 HD23 LEU 17 2HD2 LEU 17 4.626 -0.592 6.852
116 H VAL 18 H VAL 18 3.614 -2.131 4.007
117 HA VAL 18 HA VAL 18 6.026 -3.000 5.285
118 HB VAL 18 HB VAL 18 3.987 -4.405 3.520
119 HG11 VAL 18 1HG1 VAL 18 5.846 -5.868 3.473
120 HG12 VAL 18 2HG1 VAL 18 4.872 -6.468 4.816
121 HG13 VAL 18 3HG1 VAL 18 6.301 -5.485 5.134
122 HG21 VAL 18 3HG2 VAL 18 2.697 -4.167 5.358
123 HG22 VAL 18 1HG2 VAL 18 4.040 -3.490 6.280
124 HG23 VAL 18 2HG2 VAL 18 3.813 -5.238 6.205
125 H LEU 19 H LEU 19 5.128 -2.742 1.837
126 HA LEU 19 HA LEU 19 7.502 -3.957 0.751
127 HB2 LEU 19 2HB LEU 19 5.422 -3.575 -0.519
128 HB3 LEU 19 1HB LEU 19 5.624 -1.833 -0.348
129 HG LEU 19 HG LEU 19 7.865 -2.095 -1.532
130 HD11 LEU 19 1HD1 LEU 19 8.256 -4.455 -1.264
131 HD12 LEU 19 2HD1 LEU 19 7.993 -4.169 -2.985
132 HD13 LEU 19 3HD1 LEU 19 6.703 -4.854 -1.997
133 HD21 LEU 19 3HD2 LEU 19 6.856 -2.032 -3.712
134 HD22 LEU 19 1HD2 LEU 19 5.685 -1.330 -2.596
135 HD23 LEU 19 2HD2 LEU 19 5.477 -2.986 -3.168
136 H LEU 20 H LEU 20 6.692 -0.621 1.724
137 HA LEU 20 HA LEU 20 9.087 0.646 0.744
138 HB2 LEU 20 2HB LEU 20 6.739 1.508 1.668
139 HB3 LEU 20 1HB LEU 20 7.630 1.593 3.187
140 HG LEU 20 HG LEU 20 9.439 2.767 1.562
141 HD11 LEU 20 1HD1 LEU 20 6.766 3.000 0.234
142 HD12 LEU 20 2HD1 LEU 20 8.372 2.900 -0.486
143 HD13 LEU 20 3HD1 LEU 20 7.820 4.414 0.230
144 HD21 LEU 20 3HD2 LEU 20 7.120 3.834 3.145
145 HD22 LEU 20 1HD2 LEU 20 8.108 4.967 2.223
146 HD23 LEU 20 2HD2 LEU 20 8.848 3.964 3.471
147 H THR 21 H THR 21 8.378 -1.215 3.664
148 HA THR 21 HA THR 21 10.583 -0.330 5.288
149 HB THR 21 HB THR 21 9.211 -3.035 5.300
150 HG1 THR 21 1HG THR 21 8.300 -0.498 6.087
151 HG21 THR 21 3HG2 THR 21 9.586 -2.706 7.802
152 HG22 THR 21 1HG2 THR 21 10.668 -1.384 7.361
153 HG23 THR 21 2HG2 THR 21 11.020 -3.028 6.827
154 H LEU 22 H LEU 22 10.256 -3.057 2.972
155 HA LEU 22 HA LEU 22 13.161 -3.670 3.336
156 HB2 LEU 22 2HB LEU 22 11.351 -5.412 3.631
157 HB3 LEU 22 1HB LEU 22 11.025 -5.266 1.905
158 HG LEU 22 HG LEU 22 13.563 -5.714 1.593
159 HD11 LEU 22 1HD1 LEU 22 13.122 -6.640 4.446
160 HD12 LEU 22 2HD1 LEU 22 14.300 -5.456 3.879
161 HD13 LEU 22 3HD1 LEU 22 14.483 -7.157 3.450
162 HD21 LEU 22 3HD2 LEU 22 13.181 -8.157 1.682
163 HD22 LEU 22 1HD2 LEU 22 11.787 -7.324 0.992
164 HD23 LEU 22 2HD2 LEU 22 11.737 -7.896 2.660
165 H SER 23 H SER 23 10.783 -2.814 0.793
166 HA SER 23 HA SER 23 13.012 -2.696 -1.202
167 HB2 SER 23 2HB SER 23 10.058 -3.149 -1.280
168 HB3 SER 23 1HB SER 23 10.820 -2.425 -2.689
169 HG SER 23 HG SER 23 11.284 -4.444 -3.129
170 HA PRO 24 HA PRO 24 12.355 1.756 -0.323
171 HB2 PRO 24 2HB PRO 24 14.874 2.535 -1.037
172 HB3 PRO 24 1HB PRO 24 14.475 1.899 0.571
173 HG2 PRO 24 2HG PRO 24 15.757 0.531 -1.733
174 HG3 PRO 24 1HG PRO 24 16.097 0.391 0.000
175 HD2 PRO 24 2HD PRO 24 14.664 -1.452 -1.397
176 HD3 PRO 24 1HD PRO 24 14.451 -1.147 0.340
177 H HIS 25 H HIS 25 12.957 3.706 -1.882
178 HA HIS 25 HA HIS 25 13.013 2.975 -4.755
179 HB2 HIS 25 2HB HIS 25 10.852 4.136 -5.147
180 HB3 HIS 25 1HB HIS 25 10.664 2.745 -4.088
181 HD1 HIS 25 1HD HIS 25 9.998 6.329 -4.283
182 HD2 HIS 25 2HD HIS 25 10.524 3.564 -1.210
183 HE1 HIS 25 1HE HIS 25 9.090 7.411 -2.183
184 H TYR 26 H TYR 26 14.924 4.449 -3.198
185 HA TYR 26 HA TYR 26 14.502 7.281 -4.092
186 HB2 TYR 26 2HB TYR 26 16.347 6.094 -1.999
187 HB3 TYR 26 1HB TYR 26 16.143 7.812 -2.331
188 HD1 TYR 26 1HD TYR 26 13.624 8.674 -2.258
189 HD2 TYR 26 2HD TYR 26 15.061 5.122 -0.315
190 HE1 TYR 26 1HE TYR 26 11.689 8.736 -0.709
191 HE2 TYR 26 2HE TYR 26 13.127 5.185 1.232
192 HH TYR 26 HH TYR 26 10.410 6.823 0.718
193 H LYS 27 H LYS 27 15.989 8.210 -5.492
194 HA LYS 27 HA LYS 27 18.361 6.567 -6.317
195 HB2 LYS 27 2HB LYS 27 16.164 6.824 -7.804
196 HB3 LYS 27 1HB LYS 27 16.906 8.364 -8.228
197 HG2 LYS 27 2HG LYS 27 18.410 5.744 -8.386
198 HG3 LYS 27 1HG LYS 27 17.475 6.374 -9.739
199 HD2 LYS 27 2HD LYS 27 19.698 7.905 -8.356
200 HD3 LYS 27 1HD LYS 27 19.915 6.966 -9.829
201 HE2 LYS 27 2HE LYS 27 19.300 8.806 -10.998
202 HE3 LYS 27 1HE LYS 27 17.671 8.621 -10.323
203 HZ1 LYS 27 3HZ LYS 27 18.242 9.942 -8.451
204 HZ2 LYS 27 1HZ LYS 27 18.768 10.797 -9.814
205 HZ3 LYS 27 2HZ LYS 27 19.891 9.954 -8.862
Start of MODEL 39
1 H1 MET 1 1HT MET 1 -4.791 -5.977 -10.548
2 H2 MET 1 2HT MET 1 -5.620 -6.061 -12.026
3 H3 MET 1 3HT MET 1 -3.925 -5.952 -12.005
4 HA MET 1 HA MET 1 -5.594 -8.260 -11.128
5 HB2 MET 1 2HB MET 1 -3.928 -7.490 -13.479
6 HB3 MET 1 1HB MET 1 -3.793 -9.162 -12.939
7 HG2 MET 1 2HG MET 1 -6.487 -7.866 -13.354
8 HG3 MET 1 1HG MET 1 -5.618 -8.629 -14.686
9 HE1 MET 1 2HE MET 1 -7.806 -11.601 -14.367
10 HE2 MET 1 3HE MET 1 -6.804 -10.570 -15.383
11 HE3 MET 1 1HE MET 1 -8.194 -9.890 -14.519
12 H ASP 2 H ASP 2 -4.757 -8.870 -9.148
13 HA ASP 2 HA ASP 2 -1.777 -9.161 -8.926
14 HB2 ASP 2 2HB ASP 2 -3.804 -8.124 -6.921
15 HB3 ASP 2 1HB ASP 2 -2.123 -8.474 -6.526
16 H ARG 3 H ARG 3 -1.600 -11.395 -9.078
17 HA ARG 3 HA ARG 3 -3.339 -13.059 -7.282
18 HB2 ARG 3 2HB ARG 3 -2.107 -13.561 -10.006
19 HB3 ARG 3 1HB ARG 3 -2.854 -14.832 -9.043
20 HG2 ARG 3 2HG ARG 3 -4.957 -13.444 -8.968
21 HG3 ARG 3 1HG ARG 3 -4.197 -12.334 -10.108
22 HD2 ARG 3 2HD ARG 3 -5.116 -13.676 -11.710
23 HD3 ARG 3 1HD ARG 3 -3.776 -14.775 -11.334
24 HE ARG 3 HE ARG 3 -6.558 -15.184 -10.570
25 HH11 ARG 3 1HH1 ARG 3 -4.470 -17.330 -11.128
26 HH12 ARG 3 2HH1 ARG 3 -4.253 -18.015 -9.554
27 HH21 ARG 3 1HH2 ARG 3 -5.777 -15.345 -7.905
28 HH22 ARG 3 2HH2 ARG 3 -4.998 -16.877 -7.710
29 H GLU 4 H GLU 4 -1.934 -15.409 -7.334
30 HA GLU 4 HA GLU 4 -0.179 -16.539 -6.265
31 HB2 GLU 4 2HB GLU 4 1.186 -14.348 -7.833
32 HB3 GLU 4 1HB GLU 4 2.099 -15.578 -6.965
33 HG2 GLU 4 2HG GLU 4 1.923 -16.636 -9.008
34 HG3 GLU 4 1HG GLU 4 0.430 -17.211 -8.269
35 H MET 5 H MET 5 -1.526 -14.814 -4.542
36 HA MET 5 HA MET 5 -1.372 -13.711 -2.479
37 HB2 MET 5 2HB MET 5 1.157 -15.332 -2.684
38 HB3 MET 5 1HB MET 5 0.800 -14.392 -1.240
39 HG2 MET 5 2HG MET 5 -0.294 -16.279 -0.577
40 HG3 MET 5 1HG MET 5 -1.585 -15.662 -1.605
41 HE1 MET 5 3HE MET 5 1.092 -18.295 -0.979
42 HE2 MET 5 1HE MET 5 1.929 -17.276 -2.163
43 HE3 MET 5 2HE MET 5 1.491 -18.931 -2.572
44 H ALA 6 H ALA 6 -1.263 -11.666 -3.795
45 HA ALA 6 HA ALA 6 1.398 -10.340 -3.892
46 HB1 ALA 6 1HB ALA 6 0.009 -10.233 -5.867
47 HB2 ALA 6 2HB ALA 6 0.051 -8.620 -5.155
48 HB3 ALA 6 3HB ALA 6 -1.365 -9.647 -4.928
49 H ALA 7 H ALA 7 0.291 -10.817 -1.254
50 HA ALA 7 HA ALA 7 -0.111 -9.749 0.780
51 HB1 ALA 7 1HB ALA 7 1.045 -7.645 1.029
52 HB2 ALA 7 2HB ALA 7 0.993 -7.359 -0.710
53 HB3 ALA 7 3HB ALA 7 1.986 -8.665 -0.060
54 H SER 8 H SER 8 -2.366 -9.760 0.921
55 HA SER 8 HA SER 8 -3.740 -7.211 0.133
56 HB2 SER 8 2HB SER 8 -4.094 -9.760 -0.958
57 HB3 SER 8 1HB SER 8 -5.441 -9.581 0.160
58 HG SER 8 HG SER 8 -6.057 -7.741 -0.910
59 H ALA 9 H ALA 9 -2.592 -8.228 2.790
60 HA ALA 9 HA ALA 9 -5.128 -8.310 4.390
61 HB1 ALA 9 1HB ALA 9 -2.323 -9.200 5.116
62 HB2 ALA 9 2HB ALA 9 -3.568 -10.265 4.463
63 HB3 ALA 9 3HB ALA 9 -3.797 -9.503 6.037
64 H GLY 10 H GLY 10 -3.173 -5.947 3.378
65 HA2 GLY 10 2HA GLY 10 -2.776 -4.686 6.058
66 HA3 GLY 10 1HA GLY 10 -1.922 -4.221 4.588
67 H GLY 11 H GLY 11 -5.416 -4.815 4.740
68 HA2 GLY 11 2HA GLY 11 -7.208 -3.404 4.242
69 HA3 GLY 11 1HA GLY 11 -6.329 -2.189 5.165
70 H ALA 12 H ALA 12 -5.027 -3.628 2.201
71 HA ALA 12 HA ALA 12 -4.357 -2.645 0.179
72 HB1 ALA 12 1HB ALA 12 -6.139 -1.363 -0.909
73 HB2 ALA 12 2HB ALA 12 -6.924 -1.091 0.646
74 HB3 ALA 12 3HB ALA 12 -6.841 -2.719 -0.027
75 H VAL 13 H VAL 13 -3.486 -1.388 2.728
76 HA VAL 13 HA VAL 13 -2.565 1.241 1.661
77 HB VAL 13 HB VAL 13 -3.967 0.667 4.301
78 HG11 VAL 13 1HG1 VAL 13 -2.188 2.091 4.947
79 HG12 VAL 13 2HG1 VAL 13 -3.535 3.194 4.664
80 HG13 VAL 13 3HG1 VAL 13 -2.268 3.017 3.449
81 HG21 VAL 13 3HG2 VAL 13 -5.518 1.164 2.513
82 HG22 VAL 13 1HG2 VAL 13 -4.541 2.529 1.973
83 HG23 VAL 13 2HG2 VAL 13 -5.392 2.608 3.516
84 H PHE 14 H PHE 14 -2.448 -0.855 4.558
85 HA PHE 14 HA PHE 14 0.247 -0.326 5.331
86 HB2 PHE 14 2HB PHE 14 -1.734 -1.435 6.567
87 HB3 PHE 14 1HB PHE 14 -1.258 -2.916 5.742
88 HD1 PHE 14 1HD PHE 14 0.097 -0.183 7.914
89 HD2 PHE 14 2HD PHE 14 0.490 -4.253 6.593
90 HE1 PHE 14 1HE PHE 14 1.874 -0.560 9.599
91 HE2 PHE 14 2HE PHE 14 2.267 -4.627 8.277
92 HZ PHE 14 HZ PHE 14 2.960 -2.781 9.782
93 H VAL 15 H VAL 15 -1.091 -2.543 2.914
94 HA VAL 15 HA VAL 15 1.031 -4.376 2.562
95 HB VAL 15 HB VAL 15 -1.028 -3.120 0.715
96 HG11 VAL 15 1HG1 VAL 15 0.725 -3.739 -0.807
97 HG12 VAL 15 2HG1 VAL 15 -0.448 -5.055 -0.846
98 HG13 VAL 15 3HG1 VAL 15 1.048 -5.234 0.071
99 HG21 VAL 15 3HG2 VAL 15 -1.663 -4.718 2.577
100 HG22 VAL 15 1HG2 VAL 15 -0.725 -5.957 1.744
101 HG23 VAL 15 2HG2 VAL 15 -2.136 -5.241 0.962
102 H GLY 16 H GLY 16 0.579 -1.173 0.989
103 HA2 GLY 16 2HA GLY 16 3.035 -1.200 -0.489
104 HA3 GLY 16 1HA GLY 16 2.106 0.245 -0.081
105 H LEU 17 H LEU 17 2.196 -0.018 2.769
106 HA LEU 17 HA LEU 17 4.655 1.284 3.418
107 HB2 LEU 17 2HB LEU 17 2.475 1.395 4.658
108 HB3 LEU 17 1HB LEU 17 2.760 -0.248 5.231
109 HG LEU 17 HG LEU 17 5.105 1.379 5.710
110 HD11 LEU 17 1HD1 LEU 17 3.540 3.269 5.775
111 HD12 LEU 17 2HD1 LEU 17 4.109 2.895 7.401
112 HD13 LEU 17 3HD1 LEU 17 2.499 2.388 6.893
113 HD21 LEU 17 3HD2 LEU 17 4.319 -0.783 6.823
114 HD22 LEU 17 1HD2 LEU 17 3.158 0.205 7.711
115 HD23 LEU 17 2HD2 LEU 17 4.888 0.476 7.919
116 H VAL 18 H VAL 18 3.643 -2.135 3.794
117 HA VAL 18 HA VAL 18 5.975 -3.087 5.167
118 HB VAL 18 HB VAL 18 3.978 -4.397 3.286
119 HG11 VAL 18 1HG1 VAL 18 6.190 -5.608 4.958
120 HG12 VAL 18 2HG1 VAL 18 5.866 -5.854 3.242
121 HG13 VAL 18 3HG1 VAL 18 4.780 -6.536 4.451
122 HG21 VAL 18 3HG2 VAL 18 2.839 -5.079 5.257
123 HG22 VAL 18 1HG2 VAL 18 3.276 -3.399 5.564
124 HG23 VAL 18 2HG2 VAL 18 4.220 -4.700 6.285
125 H LEU 19 H LEU 19 5.204 -2.841 1.684
126 HA LEU 19 HA LEU 19 7.611 -4.034 0.671
127 HB2 LEU 19 2HB LEU 19 5.232 -3.027 -0.332
128 HB3 LEU 19 1HB LEU 19 6.412 -1.860 -0.919
129 HG LEU 19 HG LEU 19 6.061 -3.704 -2.529
130 HD11 LEU 19 1HD1 LEU 19 8.316 -2.540 -2.201
131 HD12 LEU 19 2HD1 LEU 19 8.355 -4.104 -3.014
132 HD13 LEU 19 3HD1 LEU 19 8.815 -3.981 -1.316
133 HD21 LEU 19 3HD2 LEU 19 7.417 -5.565 -0.582
134 HD22 LEU 19 1HD2 LEU 19 6.475 -5.961 -2.020
135 HD23 LEU 19 2HD2 LEU 19 5.663 -5.382 -0.566
136 H LEU 20 H LEU 20 6.864 -0.777 1.813
137 HA LEU 20 HA LEU 20 9.234 0.531 0.759
138 HB2 LEU 20 2HB LEU 20 6.864 1.370 1.661
139 HB3 LEU 20 1HB LEU 20 7.732 1.459 3.188
140 HG LEU 20 HG LEU 20 7.761 3.610 1.961
141 HD11 LEU 20 1HD1 LEU 20 9.926 4.116 2.547
142 HD12 LEU 20 2HD1 LEU 20 10.586 2.661 1.801
143 HD13 LEU 20 3HD1 LEU 20 9.768 2.559 3.360
144 HD21 LEU 20 3HD2 LEU 20 8.747 3.866 -0.167
145 HD22 LEU 20 1HD2 LEU 20 7.825 2.372 -0.323
146 HD23 LEU 20 2HD2 LEU 20 9.569 2.308 -0.075
147 H THR 21 H THR 21 8.308 -0.757 3.980
148 HA THR 21 HA THR 21 10.815 -0.154 5.280
149 HB THR 21 HB THR 21 8.700 -2.252 5.885
150 HG1 THR 21 1HG THR 21 8.967 0.418 6.829
151 HG21 THR 21 3HG2 THR 21 10.509 -2.785 7.275
152 HG22 THR 21 1HG2 THR 21 9.550 -1.704 8.284
153 HG23 THR 21 2HG2 THR 21 10.988 -1.099 7.463
154 H LEU 22 H LEU 22 9.590 -3.005 3.522
155 HA LEU 22 HA LEU 22 12.241 -4.350 3.868
156 HB2 LEU 22 2HB LEU 22 9.405 -5.176 3.629
157 HB3 LEU 22 1HB LEU 22 10.545 -6.183 2.738
158 HG LEU 22 HG LEU 22 11.375 -5.457 5.490
159 HD11 LEU 22 1HD1 LEU 22 9.938 -7.290 6.444
160 HD12 LEU 22 2HD1 LEU 22 9.039 -7.304 4.926
161 HD13 LEU 22 3HD1 LEU 22 9.032 -5.861 5.941
162 HD21 LEU 22 3HD2 LEU 22 12.575 -7.011 3.873
163 HD22 LEU 22 1HD2 LEU 22 11.233 -8.137 4.078
164 HD23 LEU 22 2HD2 LEU 22 12.241 -7.704 5.459
165 H SER 23 H SER 23 12.254 -2.213 2.077
166 HA SER 23 HA SER 23 11.838 -3.279 -0.658
167 HB2 SER 23 2HB SER 23 12.504 -0.926 -1.266
168 HB3 SER 23 1HB SER 23 11.122 -1.010 -0.188
169 HG SER 23 HG SER 23 13.800 -0.282 0.344
170 HA PRO 24 HA PRO 24 16.107 -4.535 -0.916
171 HB2 PRO 24 2HB PRO 24 16.331 -4.708 -3.637
172 HB3 PRO 24 1HB PRO 24 15.480 -5.922 -2.658
173 HG2 PRO 24 2HG PRO 24 14.364 -3.668 -4.250
174 HG3 PRO 24 1HG PRO 24 13.775 -5.332 -4.082
175 HD2 PRO 24 2HD PRO 24 12.665 -3.264 -2.751
176 HD3 PRO 24 1HD PRO 24 12.732 -4.911 -2.083
177 H HIS 25 H HIS 25 17.928 -3.255 -0.819
178 HA HIS 25 HA HIS 25 18.219 -0.935 -2.656
179 HB2 HIS 25 2HB HIS 25 17.041 -0.555 -0.276
180 HB3 HIS 25 1HB HIS 25 18.720 -0.464 0.253
181 HD1 HIS 25 1HD HIS 25 20.243 1.211 -1.414
182 HD2 HIS 25 2HD HIS 25 16.129 1.866 -1.219
183 HE1 HIS 25 1HE HIS 25 19.852 3.563 -2.257
184 H TYR 26 H TYR 26 19.829 -2.755 -3.306
185 HA TYR 26 HA TYR 26 22.104 -3.494 -1.773
186 HB2 TYR 26 2HB TYR 26 21.248 -3.458 -4.584
187 HB3 TYR 26 1HB TYR 26 22.993 -3.313 -4.396
188 HD1 TYR 26 1HD TYR 26 20.046 -5.443 -3.757
189 HD2 TYR 26 2HD TYR 26 24.318 -5.112 -3.430
190 HE1 TYR 26 1HE TYR 26 20.198 -7.870 -3.275
191 HE2 TYR 26 2HE TYR 26 24.468 -7.539 -2.948
192 HH TYR 26 HH TYR 26 22.374 -9.329 -1.860
193 H LYS 27 H LYS 27 21.550 -0.606 -3.789
194 HA LYS 27 HA LYS 27 23.878 0.717 -2.473
195 HB2 LYS 27 2HB LYS 27 23.362 0.247 -5.408
196 HB3 LYS 27 1HB LYS 27 24.319 1.632 -4.882
197 HG2 LYS 27 2HG LYS 27 25.888 0.175 -3.725
198 HG3 LYS 27 1HG LYS 27 24.899 -1.238 -4.094
199 HD2 LYS 27 2HD LYS 27 25.266 -0.874 -6.507
200 HD3 LYS 27 1HD LYS 27 26.254 0.540 -6.143
201 HE2 LYS 27 2HE LYS 27 27.933 -1.055 -6.324
202 HE3 LYS 27 1HE LYS 27 27.555 -1.241 -4.602
203 HZ1 LYS 27 3HZ LYS 27 25.825 -2.902 -5.317
204 HZ2 LYS 27 1HZ LYS 27 27.431 -3.393 -5.535
205 HZ3 LYS 27 2HZ LYS 27 26.524 -2.862 -6.866
Start of MODEL 40
1 H1 MET 1 1HT MET 1 -10.162 -16.223 8.536
2 H2 MET 1 2HT MET 1 -10.125 -17.212 9.915
3 H3 MET 1 3HT MET 1 -10.714 -15.619 10.020
4 HA MET 1 HA MET 1 -11.990 -17.736 8.352
5 HB2 MET 1 2HB MET 1 -11.808 -18.040 10.943
6 HB3 MET 1 1HB MET 1 -12.971 -16.715 11.018
7 HG2 MET 1 2HG MET 1 -14.592 -17.957 9.753
8 HG3 MET 1 1HG MET 1 -13.414 -19.209 9.356
9 HE1 MET 1 2HE MET 1 -11.986 -20.363 11.810
10 HE2 MET 1 3HE MET 1 -12.879 -21.039 10.451
11 HE3 MET 1 1HE MET 1 -13.248 -21.554 12.106
12 H ASP 2 H ASP 2 -13.333 -16.743 6.907
13 HA ASP 2 HA ASP 2 -14.675 -15.137 5.856
14 HB2 ASP 2 2HB ASP 2 -15.653 -15.687 8.320
15 HB3 ASP 2 1HB ASP 2 -15.404 -13.952 8.490
16 H ARG 3 H ARG 3 -15.110 -12.403 7.328
17 HA ARG 3 HA ARG 3 -12.882 -11.030 6.038
18 HB2 ARG 3 2HB ARG 3 -15.457 -10.454 6.468
19 HB3 ARG 3 1HB ARG 3 -14.800 -9.694 7.916
20 HG2 ARG 3 2HG ARG 3 -13.048 -8.833 5.969
21 HG3 ARG 3 1HG ARG 3 -14.580 -8.870 5.097
22 HD2 ARG 3 2HD ARG 3 -14.944 -7.717 7.747
23 HD3 ARG 3 1HD ARG 3 -13.713 -6.830 6.826
24 HE ARG 3 HE ARG 3 -16.451 -7.410 5.751
25 HH11 ARG 3 1HH2 ARG 3 -14.239 -6.547 3.850
26 HH12 ARG 3 2HH2 ARG 3 -14.509 -4.840 3.756
27 HH21 ARG 3 1HH1 ARG 3 -16.542 -4.747 6.582
28 HH22 ARG 3 2HH1 ARG 3 -15.823 -3.813 5.315
29 H GLU 4 H GLU 4 -13.048 -9.011 8.478
30 HA GLU 4 HA GLU 4 -11.785 -8.487 10.357
31 HB2 GLU 4 2HB GLU 4 -11.587 -11.481 10.757
32 HB3 GLU 4 1HB GLU 4 -11.464 -10.229 11.985
33 HG2 GLU 4 2HG GLU 4 -13.929 -11.069 10.440
34 HG3 GLU 4 1HG GLU 4 -13.666 -11.145 12.179
35 H MET 5 H MET 5 -10.442 -9.649 7.648
36 HA MET 5 HA MET 5 -7.677 -9.299 8.677
37 HB2 MET 5 2HB MET 5 -8.677 -11.776 8.472
38 HB3 MET 5 1HB MET 5 -8.172 -11.560 6.796
39 HG2 MET 5 2HG MET 5 -5.902 -10.929 7.576
40 HG3 MET 5 1HG MET 5 -6.411 -11.212 9.241
41 HE1 MET 5 3HE MET 5 -3.902 -13.954 7.990
42 HE2 MET 5 1HE MET 5 -4.386 -13.358 9.588
43 HE3 MET 5 2HE MET 5 -4.052 -12.224 8.282
44 H ALA 6 H ALA 6 -9.797 -8.025 6.640
45 HA ALA 6 HA ALA 6 -7.821 -7.678 4.406
46 HB1 ALA 6 1HB ALA 6 -9.756 -9.142 3.852
47 HB2 ALA 6 2HB ALA 6 -9.746 -7.662 2.893
48 HB3 ALA 6 3HB ALA 6 -10.849 -7.819 4.260
49 H ALA 7 H ALA 7 -8.501 -6.005 6.910
50 HA ALA 7 HA ALA 7 -9.275 -3.469 5.499
51 HB1 ALA 7 1HB ALA 7 -10.856 -4.553 7.205
52 HB2 ALA 7 2HB ALA 7 -10.442 -2.861 7.486
53 HB3 ALA 7 3HB ALA 7 -9.652 -4.131 8.424
54 H SER 8 H SER 8 -6.543 -4.740 6.039
55 HA SER 8 HA SER 8 -5.194 -3.269 8.116
56 HB2 SER 8 2HB SER 8 -4.624 -5.184 5.998
57 HB3 SER 8 1HB SER 8 -3.353 -3.981 6.113
58 HG SER 8 HG SER 8 -2.774 -5.356 7.659
59 H ALA 9 H ALA 9 -5.225 -1.057 8.063
60 HA ALA 9 HA ALA 9 -5.091 1.160 7.284
61 HB1 ALA 9 1HB ALA 9 -3.013 1.537 6.028
62 HB2 ALA 9 2HB ALA 9 -2.946 -0.170 5.603
63 HB3 ALA 9 3HB ALA 9 -2.743 0.326 7.280
64 H GLY 10 H GLY 10 -7.278 0.325 6.199
65 HA2 GLY 10 2HA GLY 10 -8.755 0.734 4.420
66 HA3 GLY 10 1HA GLY 10 -7.427 1.513 3.559
67 H GLY 11 H GLY 11 -6.829 -1.698 4.714
68 HA2 GLY 11 2HA GLY 11 -6.384 -3.693 3.623
69 HA3 GLY 11 1HA GLY 11 -7.821 -3.344 2.662
70 H ALA 12 H ALA 12 -4.792 -1.466 2.797
71 HA ALA 12 HA ALA 12 -3.773 -2.465 0.251
72 HB1 ALA 12 1HB ALA 12 -5.444 0.043 0.398
73 HB2 ALA 12 2HB ALA 12 -5.544 -1.283 -0.760
74 HB3 ALA 12 3HB ALA 12 -4.204 -0.140 -0.844
75 H VAL 13 H VAL 13 -3.857 0.684 2.018
76 HA VAL 13 HA VAL 13 -1.175 1.451 1.527
77 HB VAL 13 HB VAL 13 -3.015 2.002 3.879
78 HG11 VAL 13 1HG1 VAL 13 -0.981 2.716 4.751
79 HG12 VAL 13 2HG1 VAL 13 -1.481 4.162 3.875
80 HG13 VAL 13 3HG1 VAL 13 -0.300 3.063 3.160
81 HG21 VAL 13 3HG2 VAL 13 -4.044 2.863 1.938
82 HG22 VAL 13 1HG2 VAL 13 -2.503 3.297 1.202
83 HG23 VAL 13 2HG2 VAL 13 -3.135 4.244 2.549
84 H PHE 14 H PHE 14 -2.431 -0.855 3.892
85 HA PHE 14 HA PHE 14 -0.134 -1.009 5.616
86 HB2 PHE 14 2HB PHE 14 -2.544 -1.914 5.870
87 HB3 PHE 14 1HB PHE 14 -2.002 -3.279 4.900
88 HD1 PHE 14 2HD PHE 14 -1.631 -1.504 8.113
89 HD2 PHE 14 1HD PHE 14 -0.382 -4.883 5.772
90 HE1 PHE 14 2HE PHE 14 -0.631 -2.534 10.133
91 HE2 PHE 14 1HE PHE 14 0.618 -5.914 7.796
92 HZ PHE 14 HZ PHE 14 0.494 -4.738 9.975
93 H VAL 15 H VAL 15 -1.084 -2.849 2.694
94 HA VAL 15 HA VAL 15 1.207 -4.598 2.635
95 HB VAL 15 HB VAL 15 -0.830 -3.630 0.603
96 HG11 VAL 15 1HG1 VAL 15 1.466 -5.567 0.224
97 HG12 VAL 15 2HG1 VAL 15 1.047 -4.173 -0.772
98 HG13 VAL 15 3HG1 VAL 15 0.021 -5.608 -0.787
99 HG21 VAL 15 3HG2 VAL 15 -1.220 -5.302 2.634
100 HG22 VAL 15 1HG2 VAL 15 -0.477 -6.460 1.529
101 HG23 VAL 15 2HG2 VAL 15 -1.949 -5.612 1.059
102 H GLY 16 H GLY 16 0.505 -1.468 1.020
103 HA2 GLY 16 2HA GLY 16 2.969 -1.260 -0.420
104 HA3 GLY 16 1HA GLY 16 1.935 0.100 0.019
105 H LEU 17 H LEU 17 2.032 -0.241 2.860
106 HA LEU 17 HA LEU 17 4.403 1.212 3.558
107 HB2 LEU 17 2HB LEU 17 2.161 1.139 4.732
108 HB3 LEU 17 1HB LEU 17 2.597 -0.456 5.339
109 HG LEU 17 HG LEU 17 4.720 1.493 5.810
110 HD11 LEU 17 1HD1 LEU 17 1.999 2.003 7.057
111 HD12 LEU 17 2HD1 LEU 17 2.847 3.081 5.947
112 HD13 LEU 17 3HD1 LEU 17 3.507 2.771 7.552
113 HD21 LEU 17 3HD2 LEU 17 3.008 -0.208 7.654
114 HD22 LEU 17 1HD2 LEU 17 4.528 0.573 8.090
115 HD23 LEU 17 2HD2 LEU 17 4.514 -0.726 6.897
116 H VAL 18 H VAL 18 3.531 -2.240 3.999
117 HA VAL 18 HA VAL 18 5.906 -3.101 5.339
118 HB VAL 18 HB VAL 18 3.890 -4.441 3.508
119 HG11 VAL 18 1HG1 VAL 18 5.670 -5.935 3.247
120 HG12 VAL 18 2HG1 VAL 18 4.869 -6.580 4.678
121 HG13 VAL 18 3HG1 VAL 18 6.322 -5.597 4.850
122 HG21 VAL 18 3HG2 VAL 18 2.944 -5.282 5.538
123 HG22 VAL 18 1HG2 VAL 18 3.263 -3.572 5.829
124 HG23 VAL 18 2HG2 VAL 18 4.353 -4.796 6.479
125 H LEU 19 H LEU 19 5.121 -2.841 1.869
126 HA LEU 19 HA LEU 19 7.568 -3.952 0.836
127 HB2 LEU 19 2HB LEU 19 5.164 -3.230 -0.174
128 HB3 LEU 19 1HB LEU 19 6.114 -1.830 -0.667
129 HG LEU 19 HG LEU 19 7.282 -4.544 -1.138
130 HD11 LEU 19 1HD1 LEU 19 6.054 -4.843 -3.196
131 HD12 LEU 19 2HD1 LEU 19 5.226 -3.300 -2.984
132 HD13 LEU 19 3HD1 LEU 19 4.880 -4.644 -1.894
133 HD21 LEU 19 3HD2 LEU 19 8.115 -3.357 -3.175
134 HD22 LEU 19 1HD2 LEU 19 8.582 -2.543 -1.683
135 HD23 LEU 19 2HD2 LEU 19 7.252 -1.910 -2.652
136 H LEU 20 H LEU 20 6.620 -0.633 1.747
137 HA LEU 20 HA LEU 20 8.913 0.741 0.695
138 HB2 LEU 20 2HB LEU 20 6.597 1.537 1.684
139 HB3 LEU 20 1HB LEU 20 7.485 1.580 3.208
140 HG LEU 20 HG LEU 20 9.249 2.971 1.981
141 HD11 LEU 20 1HD1 LEU 20 8.314 4.219 -0.009
142 HD12 LEU 20 2HD1 LEU 20 6.991 3.053 -0.041
143 HD13 LEU 20 3HD1 LEU 20 8.648 2.515 -0.312
144 HD21 LEU 20 3HD2 LEU 20 7.608 3.941 3.565
145 HD22 LEU 20 1HD2 LEU 20 6.446 4.112 2.249
146 HD23 LEU 20 2HD2 LEU 20 7.940 5.048 2.233
147 H THR 21 H THR 21 8.302 -0.886 3.800
148 HA THR 21 HA THR 21 10.750 -0.067 5.113
149 HB THR 21 HB THR 21 8.868 -2.428 5.499
150 HG1 THR 21 1HG THR 21 7.658 -0.881 6.219
151 HG21 THR 21 3HG2 THR 21 11.233 -2.590 6.542
152 HG22 THR 21 1HG2 THR 21 9.847 -2.823 7.606
153 HG23 THR 21 2HG2 THR 21 10.702 -1.281 7.598
154 H LEU 22 H LEU 22 9.805 -2.822 3.071
155 HA LEU 22 HA LEU 22 12.228 -4.369 3.330
156 HB2 LEU 22 2HB LEU 22 10.027 -4.170 1.258
157 HB3 LEU 22 1HB LEU 22 11.327 -5.352 1.142
158 HG LEU 22 HG LEU 22 9.676 -5.123 3.656
159 HD11 LEU 22 1HD1 LEU 22 8.414 -5.550 1.323
160 HD12 LEU 22 2HD1 LEU 22 7.957 -6.389 2.803
161 HD13 LEU 22 3HD1 LEU 22 8.989 -7.190 1.619
162 HD21 LEU 22 3HD2 LEU 22 11.192 -7.401 2.332
163 HD22 LEU 22 1HD2 LEU 22 10.365 -7.484 3.888
164 HD23 LEU 22 2HD2 LEU 22 11.774 -6.444 3.694
165 H SER 23 H SER 23 11.170 -1.814 1.082
166 HA SER 23 HA SER 23 13.357 -1.957 -0.766
167 HB2 SER 23 2HB SER 23 11.411 0.195 0.094
168 HB3 SER 23 1HB SER 23 12.597 0.470 -1.175
169 HG SER 23 HG SER 23 10.327 -1.148 -1.131
170 HA PRO 24 HA PRO 24 16.678 -0.083 1.457
171 HB2 PRO 24 2HB PRO 24 17.903 1.437 -0.460
172 HB3 PRO 24 1HB PRO 24 17.987 -0.336 -0.419
173 HG2 PRO 24 2HG PRO 24 16.270 1.429 -2.084
174 HG3 PRO 24 1HG PRO 24 17.106 -0.072 -2.518
175 HD2 PRO 24 2HD PRO 24 14.453 0.037 -1.980
176 HD3 PRO 24 1HD PRO 24 15.450 -1.403 -1.677
177 H HIS 25 H HIS 25 14.889 1.178 2.631
178 HA HIS 25 HA HIS 25 15.225 4.132 2.192
179 HB2 HIS 25 2HB HIS 25 12.795 2.421 2.740
180 HB3 HIS 25 1HB HIS 25 12.809 4.122 3.203
181 HD1 HIS 25 1HD HIS 25 13.351 1.962 0.117
182 HD2 HIS 25 2HD HIS 25 12.267 5.863 1.104
183 HE1 HIS 25 1HE HIS 25 12.717 3.098 -2.056
184 H TYR 26 H TYR 26 14.073 1.731 4.612
185 HA TYR 26 HA TYR 26 15.144 3.418 6.810
186 HB2 TYR 26 2HB TYR 26 13.412 0.936 6.618
187 HB3 TYR 26 1HB TYR 26 13.999 1.547 8.162
188 HD1 TYR 26 2HD TYR 26 13.514 4.030 8.728
189 HD2 TYR 26 1HD TYR 26 11.472 1.850 5.637
190 HE1 TYR 26 2HE TYR 26 11.672 5.689 8.773
191 HE2 TYR 26 1HE TYR 26 9.634 3.509 5.683
192 HH TYR 26 HH TYR 26 8.841 5.314 7.873
193 H LYS 27 H LYS 27 17.316 3.108 7.183
194 HA LYS 27 HA LYS 27 18.331 0.334 7.523
195 HB2 LYS 27 2HB LYS 27 18.643 1.770 5.155
196 HB3 LYS 27 1HB LYS 27 20.171 2.026 5.998
197 HG2 LYS 27 2HG LYS 27 18.977 -0.734 5.798
198 HG3 LYS 27 1HG LYS 27 19.939 -0.072 4.475
199 HD2 LYS 27 2HD LYS 27 21.823 0.305 6.001
200 HD3 LYS 27 1HD LYS 27 20.867 -0.301 7.354
201 HE2 LYS 27 2HE LYS 27 20.640 -2.495 6.128
202 HE3 LYS 27 1HE LYS 27 21.790 -1.877 4.926
203 HZ1 LYS 27 3HZ LYS 27 23.326 -1.381 6.788
204 HZ2 LYS 27 1HZ LYS 27 23.021 -3.038 6.601
205 HZ3 LYS 27 2HZ LYS 27 22.257 -2.170 7.848