NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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613708 |
5t7q   |
30170 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 15 1H LYS 15 10.265 -4.618 5.773
2 H2 LYS 15 2H LYS 15 11.158 -3.363 5.233
3 H3 LYS 15 3H LYS 15 10.049 -3.130 6.406
4 HA LYS 15 HA LYS 15 9.510 -3.895 3.649
5 HB2 LYS 15 1HB LYS 15 7.928 -4.874 5.328
6 HB3 LYS 15 2HB LYS 15 7.571 -3.253 5.907
7 HG2 LYS 15 1HG LYS 15 6.619 -2.644 3.747
8 HG3 LYS 15 2HG LYS 15 7.069 -4.218 3.077
9 HD2 LYS 15 1HD LYS 15 5.620 -5.319 4.794
10 HD3 LYS 15 2HD LYS 15 5.115 -3.718 5.351
11 HE2 LYS 15 1HE LYS 15 4.182 -3.213 3.138
12 HE3 LYS 15 2HE LYS 15 4.745 -4.768 2.521
13 HZ1 LYS 15 1HZ LYS 15 2.438 -4.840 3.120
14 HZ2 LYS 15 2HZ LYS 15 3.298 -5.853 4.099
15 HZ3 LYS 15 3HZ LYS 15 2.770 -4.399 4.674
16 H LYS 16 H LYS 16 9.430 -2.293 2.259
17 HA LYS 16 HA LYS 16 10.062 0.388 3.114
18 HB2 LYS 16 1HB LYS 16 9.211 -0.737 0.419
19 HB3 LYS 16 2HB LYS 16 9.692 0.935 0.670
20 HG2 LYS 16 1HG LYS 16 11.925 0.170 1.428
21 HG3 LYS 16 2HG LYS 16 11.435 -1.503 1.125
22 HD2 LYS 16 1HD LYS 16 11.045 -0.956 -1.259
23 HD3 LYS 16 2HD LYS 16 11.545 0.715 -0.953
24 HE2 LYS 16 1HE LYS 16 13.780 -0.075 -0.261
25 HE3 LYS 16 2HE LYS 16 13.285 -1.746 -0.544
26 HZ1 LYS 16 1HZ LYS 16 14.503 -0.861 -2.395
27 HZ2 LYS 16 2HZ LYS 16 12.955 -1.196 -2.856
28 HZ3 LYS 16 3HZ LYS 16 13.418 0.365 -2.592
29 HA PRO 17 HA PRO 17 6.152 2.108 4.000
30 HB2 PRO 17 1HB PRO 17 7.329 4.495 2.523
31 HB3 PRO 17 2HB PRO 17 6.496 4.454 4.083
32 HG2 PRO 17 1HG PRO 17 9.148 4.636 4.084
33 HG3 PRO 17 2HG PRO 17 8.374 3.529 5.221
34 HD2 PRO 17 1HD PRO 17 9.722 2.915 2.562
35 HD3 PRO 17 2HD PRO 17 9.826 2.014 4.128
36 H LEU 18 H LEU 18 7.649 2.444 0.789
37 HA LEU 18 HA LEU 18 5.298 3.161 -0.658
38 HB2 LEU 18 1HB LEU 18 7.815 1.686 -1.499
39 HB3 LEU 18 2HB LEU 18 6.557 2.196 -2.630
40 HG LEU 18 HG LEU 18 8.166 4.084 -0.874
41 HD11 LEU 18 1HD1 LEU 18 9.341 4.656 -2.952
42 HD12 LEU 18 1HD2 LEU 18 9.581 2.950 -2.509
43 HD13 LEU 18 1HD3 LEU 18 8.445 3.381 -3.809
44 HD21 LEU 18 2HD1 LEU 18 7.188 5.804 -2.357
45 HD22 LEU 18 2HD2 LEU 18 6.262 4.544 -3.207
46 HD23 LEU 18 2HD3 LEU 18 5.917 4.902 -1.497
47 H GLY 19 H GLY 19 6.713 0.010 0.186
48 HA2 GLY 19 1HA GLY 19 4.753 -1.572 -1.221
49 HA3 GLY 19 2HA GLY 19 5.823 -2.135 0.050
50 H LYS 20 H LYS 20 4.985 -0.211 2.053
51 HA LYS 20 HA LYS 20 2.697 -1.525 3.148
52 HB2 LYS 20 1HB LYS 20 4.007 1.141 3.803
53 HB3 LYS 20 2HB LYS 20 2.679 0.465 4.735
54 HG2 LYS 20 1HG LYS 20 4.050 -1.503 5.288
55 HG3 LYS 20 2HG LYS 20 5.385 -0.843 4.333
56 HD2 LYS 20 1HD LYS 20 5.455 1.146 5.808
57 HD3 LYS 20 2HD LYS 20 4.126 0.476 6.767
58 HE2 LYS 20 1HE LYS 20 5.519 -1.486 7.333
59 HE3 LYS 20 2HE LYS 20 6.845 -0.828 6.372
60 HZ1 LYS 20 1HZ LYS 20 7.113 -0.341 8.690
61 HZ2 LYS 20 2HZ LYS 20 6.903 1.062 7.850
62 HZ3 LYS 20 3HZ LYS 20 5.665 0.447 8.749
63 H MET 21 H MET 21 3.065 1.554 1.399
64 HA MET 21 HA MET 21 0.268 2.240 1.578
65 HB2 MET 21 1HB MET 21 2.524 3.170 -0.228
66 HB3 MET 21 2HB MET 21 0.891 3.807 -0.354
67 HG2 MET 21 1HG MET 21 2.736 4.003 2.041
68 HG3 MET 21 2HG MET 21 2.245 5.308 0.958
69 HE1 MET 21 1HE MET 21 -1.578 5.661 1.794
70 HE2 MET 21 2HE MET 21 -0.218 6.289 0.831
71 HE3 MET 21 3HE MET 21 -0.854 4.656 0.517
72 H ALA 22 H ALA 22 2.238 0.473 -0.771
73 HA ALA 22 HA ALA 22 0.314 0.184 -2.811
74 HB1 ALA 22 1HB ALA 22 1.535 -1.880 -3.414
75 HB2 ALA 22 2HB ALA 22 2.647 -0.538 -3.055
76 HB3 ALA 22 3HB ALA 22 2.386 -1.824 -1.854
77 H ASP 23 H ASP 23 0.870 -1.870 0.060
78 HA ASP 23 HA ASP 23 -1.365 -3.597 -0.448
79 HB2 ASP 23 1HB ASP 23 0.224 -2.938 2.052
80 HB3 ASP 23 2HB ASP 23 -1.131 -4.059 2.079
81 H TRP 24 H TRP 24 -0.987 -0.550 1.312
82 HA TRP 24 HA TRP 24 -3.552 -0.443 2.509
83 HB2 TRP 24 1HB TRP 24 -1.632 1.151 2.912
84 HB3 TRP 24 2HB TRP 24 -1.979 1.894 1.357
85 HD1 TRP 24 1HD TRP 24 -3.425 1.546 4.906
86 HE1 TRP 24 1HE TRP 24 -5.211 3.381 5.272
87 HE3 TRP 24 3HE TRP 24 -3.646 3.393 0.127
88 HZ2 TRP 24 2HZ TRP 24 -6.518 5.343 3.720
89 HZ3 TRP 24 3HZ TRP 24 -5.187 5.249 -0.367
90 HH2 TRP 24 2HH TRP 24 -6.602 6.216 1.398
91 H PHE 25 H PHE 25 -2.458 0.525 -0.740
92 HA PHE 25 HA PHE 25 -5.054 1.504 -1.554
93 HB2 PHE 25 1HB PHE 25 -2.541 0.720 -3.063
94 HB3 PHE 25 2HB PHE 25 -4.003 1.223 -3.897
95 HD1 PHE 25 1HD PHE 25 -0.952 2.335 -2.734
96 HD2 PHE 25 2HD PHE 25 -5.068 3.479 -2.811
97 HE1 PHE 25 1HE PHE 25 -0.298 4.702 -2.449
98 HE2 PHE 25 2HE PHE 25 -4.417 5.847 -2.528
99 HZ PHE 25 HZ PHE 25 -2.030 6.458 -2.346
100 H ARG 26 H ARG 26 -3.393 -1.608 -1.707
101 HA ARG 26 HA ARG 26 -5.221 -2.909 -3.473
102 HB2 ARG 26 1HB ARG 26 -3.370 -3.929 -1.305
103 HB3 ARG 26 2HB ARG 26 -4.382 -5.012 -2.250
104 HG2 ARG 26 1HG ARG 26 -3.263 -4.412 -4.285
105 HG3 ARG 26 2HG ARG 26 -2.370 -3.106 -3.468
106 HD2 ARG 26 1HD ARG 26 -1.182 -4.689 -2.132
107 HD3 ARG 26 2HD ARG 26 -2.158 -6.027 -2.779
108 HE ARG 26 HE ARG 26 -1.118 -5.052 -5.036
109 HH11 ARG 26 1HH1 ARG 26 0.399 -5.692 -1.932
110 HH12 ARG 26 1HH2 ARG 26 1.964 -6.047 -2.629
111 HH21 ARG 26 2HH1 ARG 26 0.919 -5.514 -5.928
112 HH22 ARG 26 2HH2 ARG 26 2.259 -5.946 -4.891
113 H GLN 27 H GLN 27 -5.231 -2.369 0.026
114 HA GLN 27 HA GLN 27 -7.675 -3.942 0.392
115 HB2 GLN 27 1HB GLN 27 -5.950 -3.761 2.184
116 HB3 GLN 27 2HB GLN 27 -6.253 -2.032 2.292
117 HG2 GLN 27 1HG GLN 27 -8.508 -2.413 3.063
118 HG3 GLN 27 2HG GLN 27 -8.326 -4.173 2.815
119 HE21 GLN 27 2HE1 GLN 27 -7.295 -2.493 6.300
120 HE22 GLN 27 2HE2 GLN 27 -8.217 -1.702 5.064
121 H THR 28 H THR 28 -6.764 -0.536 0.082
122 HA THR 28 HA THR 28 -9.361 0.434 0.942
123 HB THR 28 HB THR 28 -7.078 1.863 -0.490
124 HG1 THR 28 1HG THR 28 -6.400 1.296 1.531
125 HG21 THR 28 2HG1 THR 28 -8.186 3.924 0.281
126 HG22 THR 28 2HG2 THR 28 -9.247 3.003 -0.812
127 HG23 THR 28 2HG3 THR 28 -9.525 2.962 0.945
128 H LEU 29 H LEU 29 -7.731 0.067 -2.212
129 HA LEU 29 HA LEU 29 -10.170 1.161 -3.512
130 HB2 LEU 29 1HB LEU 29 -7.376 0.685 -4.610
131 HB3 LEU 29 2HB LEU 29 -8.719 1.400 -5.508
132 HG LEU 29 HG LEU 29 -7.395 2.608 -3.054
133 HD11 LEU 29 1HD1 LEU 29 -6.511 4.246 -4.654
134 HD12 LEU 29 1HD2 LEU 29 -5.941 2.600 -5.015
135 HD13 LEU 29 1HD3 LEU 29 -7.236 3.328 -5.994
136 HD21 LEU 29 2HD1 LEU 29 -8.774 4.580 -3.621
137 HD22 LEU 29 2HD2 LEU 29 -9.533 3.667 -4.948
138 HD23 LEU 29 2HD3 LEU 29 -9.794 3.166 -3.260
139 H LEU 30 H LEU 30 -7.921 -1.598 -3.640
140 HA LEU 30 HA LEU 30 -9.597 -2.925 -5.665
141 HB2 LEU 30 1HB LEU 30 -7.065 -3.814 -4.237
142 HB3 LEU 30 2HB LEU 30 -7.868 -4.714 -5.527
143 HG LEU 30 HG LEU 30 -6.617 -1.959 -5.819
144 HD11 LEU 30 1HD1 LEU 30 -4.914 -3.150 -7.126
145 HD12 LEU 30 1HD2 LEU 30 -4.964 -3.716 -5.440
146 HD13 LEU 30 1HD3 LEU 30 -5.694 -4.700 -6.731
147 HD21 LEU 30 2HD1 LEU 30 -7.020 -2.341 -8.228
148 HD22 LEU 30 2HD2 LEU 30 -7.830 -3.881 -7.849
149 HD23 LEU 30 2HD3 LEU 30 -8.548 -2.342 -7.316
150 H LYS 31 H LYS 31 -9.623 -2.614 -2.335
151 HA LYS 31 HA LYS 31 -10.908 -3.644 -0.728
152 HB2 LYS 31 1HB LYS 31 -12.274 -5.113 -3.011
153 HB3 LYS 31 2HB LYS 31 -12.931 -4.772 -1.416
154 HG2 LYS 31 1HG LYS 31 -12.315 -2.733 -3.576
155 HG3 LYS 31 2HG LYS 31 -13.915 -3.301 -3.075
156 HD2 LYS 31 1HD LYS 31 -13.514 -2.387 -0.800
157 HD3 LYS 31 2HD LYS 31 -11.932 -1.795 -1.327
158 HE2 LYS 31 1HE LYS 31 -13.130 -0.462 -3.119
159 HE3 LYS 31 2HE LYS 31 -14.655 -0.927 -2.358
160 HZ1 LYS 31 1HZ LYS 31 -13.901 1.202 -1.594
161 HZ2 LYS 31 2HZ LYS 31 -13.903 0.130 -0.340
162 HZ3 LYS 31 3HZ LYS 31 -12.480 0.566 -1.051
163 H LYS 32 H LYS 32 -8.411 -4.782 -1.278
164 HA LYS 32 HA LYS 32 -9.003 -7.654 -0.695
165 HB2 LYS 32 1HB LYS 32 -6.488 -6.401 -1.868
166 HB3 LYS 32 2HB LYS 32 -6.645 -8.093 -1.418
167 HG2 LYS 32 1HG LYS 32 -8.454 -8.363 -3.088
168 HG3 LYS 32 2HG LYS 32 -8.259 -6.667 -3.553
169 HD2 LYS 32 1HD LYS 32 -5.909 -7.111 -4.189
170 HD3 LYS 32 2HD LYS 32 -6.103 -8.808 -3.723
171 HE2 LYS 32 1HE LYS 32 -7.909 -9.043 -5.421
172 HE3 LYS 32 2HE LYS 32 -7.648 -7.368 -5.912
173 HZ1 LYS 32 1HZ LYS 32 -6.488 -8.893 -7.332
174 HZ2 LYS 32 2HZ LYS 32 -5.401 -7.957 -6.517
175 HZ3 LYS 32 3HZ LYS 32 -5.646 -9.522 -6.061
176 HA PRO 33 HA PRO 33 -7.911 -6.210 3.383
177 HB2 PRO 33 1HB PRO 33 -8.297 -9.207 3.776
178 HB3 PRO 33 2HB PRO 33 -8.847 -7.875 4.801
179 HG2 PRO 33 1HG PRO 33 -10.618 -9.028 3.188
180 HG3 PRO 33 2HG PRO 33 -10.603 -7.266 3.309
181 HD2 PRO 33 1HD PRO 33 -9.440 -9.050 1.139
182 HD3 PRO 33 2HD PRO 33 -10.332 -7.484 0.973
183 H LYS 34 H LYS 34 -5.899 -6.050 4.207
184 HA LYS 34 HA LYS 34 -3.674 -7.350 2.972
185 HB2 LYS 34 1HB LYS 34 -3.884 -5.835 5.604
186 HB3 LYS 34 2HB LYS 34 -2.367 -6.355 4.883
187 HG2 LYS 34 1HG LYS 34 -2.878 -4.966 2.878
188 HG3 LYS 34 2HG LYS 34 -4.342 -4.393 3.688
189 HD2 LYS 34 1HD LYS 34 -1.558 -4.120 4.873
190 HD3 LYS 34 2HD LYS 34 -2.331 -2.868 3.890
191 HE2 LYS 34 1HE LYS 34 -4.190 -2.728 5.497
192 HE3 LYS 34 2HE LYS 34 -3.466 -4.013 6.468
193 HZ1 LYS 34 1HZ LYS 34 -2.958 -1.854 7.345
194 HZ2 LYS 34 2HZ LYS 34 -1.571 -2.589 6.838
195 HZ3 LYS 34 3HZ LYS 34 -2.247 -1.387 5.932
196 H LYS 35 H LYS 35 -2.565 -9.138 3.395
197 HA LYS 35 HA LYS 35 -2.653 -10.466 5.965
198 HB2 LYS 35 1HB LYS 35 -4.883 -11.121 5.057
199 HB3 LYS 35 2HB LYS 35 -4.095 -11.815 3.648
200 HG2 LYS 35 1HG LYS 35 -2.972 -13.474 5.041
201 HG3 LYS 35 2HG LYS 35 -3.651 -12.741 6.500
202 HD2 LYS 35 1HD LYS 35 -5.935 -13.242 5.696
203 HD3 LYS 35 2HD LYS 35 -5.259 -13.971 4.232
204 HE2 LYS 35 1HE LYS 35 -4.082 -15.652 5.613
205 HE3 LYS 35 2HE LYS 35 -4.756 -14.927 7.074
206 HZ1 LYS 35 1HZ LYS 35 -6.017 -16.824 6.369
207 HZ2 LYS 35 2HZ LYS 35 -6.948 -15.465 6.261
208 HZ3 LYS 35 3HZ LYS 35 -6.318 -16.144 4.896
Start of MODEL 2
1 H1 LYS 15 1H LYS 15 9.701 -5.608 4.650
2 H2 LYS 15 2H LYS 15 10.740 -4.361 4.475
3 H3 LYS 15 3H LYS 15 9.597 -4.313 5.639
4 HA LYS 15 HA LYS 15 9.135 -4.293 2.765
5 HB2 LYS 15 1HB LYS 15 7.369 -5.488 4.049
6 HB3 LYS 15 2HB LYS 15 7.165 -4.076 5.077
7 HG2 LYS 15 1HG LYS 15 6.384 -2.754 3.181
8 HG3 LYS 15 2HG LYS 15 6.685 -4.108 2.083
9 HD2 LYS 15 1HD LYS 15 4.803 -4.282 4.460
10 HD3 LYS 15 2HD LYS 15 4.277 -3.824 2.834
11 HE2 LYS 15 1HE LYS 15 5.196 -5.986 1.973
12 HE3 LYS 15 2HE LYS 15 5.595 -6.445 3.630
13 HZ1 LYS 15 1HZ LYS 15 3.503 -7.358 2.942
14 HZ2 LYS 15 2HZ LYS 15 3.264 -6.288 4.174
15 HZ3 LYS 15 3HZ LYS 15 2.890 -5.861 2.625
16 H LYS 16 H LYS 16 9.174 -2.384 1.819
17 HA LYS 16 HA LYS 16 9.928 -0.057 3.413
18 HB2 LYS 16 1HB LYS 16 9.415 -0.416 0.435
19 HB3 LYS 16 2HB LYS 16 9.950 1.092 1.163
20 HG2 LYS 16 1HG LYS 16 12.005 -0.035 1.967
21 HG3 LYS 16 2HG LYS 16 11.468 -1.533 1.195
22 HD2 LYS 16 1HD LYS 16 11.454 -0.395 -1.004
23 HD3 LYS 16 2HD LYS 16 11.994 1.102 -0.229
24 HE2 LYS 16 1HE LYS 16 14.063 -0.023 0.516
25 HE3 LYS 16 2HE LYS 16 13.524 -1.526 -0.238
26 HZ1 LYS 16 1HZ LYS 16 15.039 -0.327 -1.638
27 HZ2 LYS 16 2HZ LYS 16 13.557 -0.403 -2.359
28 HZ3 LYS 16 3HZ LYS 16 14.060 1.000 -1.654
29 HA PRO 17 HA PRO 17 6.150 1.940 4.110
30 HB2 PRO 17 1HB PRO 17 7.422 4.338 2.731
31 HB3 PRO 17 2HB PRO 17 6.560 4.273 4.274
32 HG2 PRO 17 1HG PRO 17 9.216 4.368 4.327
33 HG3 PRO 17 2HG PRO 17 8.386 3.248 5.412
34 HD2 PRO 17 1HD PRO 17 9.767 2.682 2.761
35 HD3 PRO 17 2HD PRO 17 9.804 1.723 4.294
36 H LEU 18 H LEU 18 7.689 2.368 0.928
37 HA LEU 18 HA LEU 18 5.363 3.201 -0.503
38 HB2 LEU 18 1HB LEU 18 7.867 1.734 -1.394
39 HB3 LEU 18 2HB LEU 18 6.628 2.319 -2.509
40 HG LEU 18 HG LEU 18 8.246 4.092 -0.645
41 HD11 LEU 18 1HD1 LEU 18 9.449 4.751 -2.680
42 HD12 LEU 18 1HD2 LEU 18 9.660 3.021 -2.323
43 HD13 LEU 18 1HD3 LEU 18 8.544 3.534 -3.610
44 HD21 LEU 18 2HD1 LEU 18 7.307 5.899 -2.047
45 HD22 LEU 18 2HD2 LEU 18 6.371 4.698 -2.969
46 HD23 LEU 18 2HD3 LEU 18 6.015 4.972 -1.248
47 H GLY 19 H GLY 19 6.732 -0.012 0.178
48 HA2 GLY 19 1HA GLY 19 4.758 -1.489 -1.317
49 HA3 GLY 19 2HA GLY 19 5.812 -2.133 -0.071
50 H LYS 20 H LYS 20 4.987 -0.302 2.022
51 HA LYS 20 HA LYS 20 2.670 -1.650 3.025
52 HB2 LYS 20 1HB LYS 20 4.032 0.937 3.864
53 HB3 LYS 20 2HB LYS 20 2.688 0.223 4.746
54 HG2 LYS 20 1HG LYS 20 4.017 -1.799 5.173
55 HG3 LYS 20 2HG LYS 20 5.365 -1.114 4.253
56 HD2 LYS 20 1HD LYS 20 5.479 0.784 5.849
57 HD3 LYS 20 2HD LYS 20 4.149 0.072 6.777
58 HE2 LYS 20 1HE LYS 20 5.517 -1.942 7.199
59 HE3 LYS 20 2HE LYS 20 6.844 -1.243 6.266
60 HZ1 LYS 20 1HZ LYS 20 7.144 -0.912 8.609
61 HZ2 LYS 20 2HZ LYS 20 6.947 0.546 7.864
62 HZ3 LYS 20 3HZ LYS 20 5.709 -0.108 8.735
63 H MET 21 H MET 21 3.116 1.506 1.448
64 HA MET 21 HA MET 21 0.358 2.287 1.632
65 HB2 MET 21 1HB MET 21 2.630 3.104 -0.205
66 HB3 MET 21 2HB MET 21 1.022 3.796 -0.344
67 HG2 MET 21 1HG MET 21 2.846 3.954 2.071
68 HG3 MET 21 2HG MET 21 2.464 5.257 0.943
69 HE1 MET 21 1HE MET 21 -1.356 5.855 1.669
70 HE2 MET 21 2HE MET 21 0.060 6.373 0.721
71 HE3 MET 21 3HE MET 21 -0.661 4.769 0.441
72 H ALA 22 H ALA 22 2.218 0.479 -0.789
73 HA ALA 22 HA ALA 22 0.173 0.220 -2.726
74 HB1 ALA 22 1HB ALA 22 1.384 -1.813 -3.449
75 HB2 ALA 22 2HB ALA 22 2.495 -0.458 -3.138
76 HB3 ALA 22 3HB ALA 22 2.336 -1.769 -1.947
77 H ASP 23 H ASP 23 0.893 -1.772 0.140
78 HA ASP 23 HA ASP 23 -1.248 -3.623 -0.226
79 HB2 ASP 23 1HB ASP 23 0.227 -2.662 2.250
80 HB3 ASP 23 2HB ASP 23 -1.028 -3.892 2.317
81 H TRP 24 H TRP 24 -1.067 -0.477 1.420
82 HA TRP 24 HA TRP 24 -3.702 -0.465 2.481
83 HB2 TRP 24 1HB TRP 24 -1.942 1.192 3.068
84 HB3 TRP 24 2HB TRP 24 -2.052 1.880 1.455
85 HD1 TRP 24 1HD TRP 24 -4.029 1.634 4.751
86 HE1 TRP 24 1HE TRP 24 -5.834 3.486 4.787
87 HE3 TRP 24 3HE TRP 24 -3.484 3.359 -0.048
88 HZ2 TRP 24 2HZ TRP 24 -6.867 5.413 3.002
89 HZ3 TRP 24 3HZ TRP 24 -4.914 5.209 -0.822
90 HH2 TRP 24 2HH TRP 24 -6.579 6.227 0.674
91 H PHE 25 H PHE 25 -2.449 0.628 -0.678
92 HA PHE 25 HA PHE 25 -4.946 1.533 -1.714
93 HB2 PHE 25 1HB PHE 25 -2.385 0.546 -2.989
94 HB3 PHE 25 2HB PHE 25 -3.783 0.944 -3.976
95 HD1 PHE 25 1HD PHE 25 -0.819 2.191 -2.687
96 HD2 PHE 25 2HD PHE 25 -4.896 3.311 -3.301
97 HE1 PHE 25 1HE PHE 25 -0.169 4.576 -2.642
98 HE2 PHE 25 2HE PHE 25 -4.250 5.697 -3.259
99 HZ PHE 25 HZ PHE 25 -1.884 6.329 -2.928
100 H ARG 26 H ARG 26 -3.392 -1.659 -1.696
101 HA ARG 26 HA ARG 26 -5.331 -2.966 -3.343
102 HB2 ARG 26 1HB ARG 26 -3.458 -3.995 -1.192
103 HB3 ARG 26 2HB ARG 26 -4.497 -5.052 -2.136
104 HG2 ARG 26 1HG ARG 26 -3.367 -4.473 -4.174
105 HG3 ARG 26 2HG ARG 26 -2.436 -3.199 -3.351
106 HD2 ARG 26 1HD ARG 26 -1.345 -4.860 -1.981
107 HD3 ARG 26 2HD ARG 26 -2.303 -6.145 -2.752
108 HE ARG 26 HE ARG 26 -1.109 -4.947 -4.874
109 HH11 ARG 26 1HH1 ARG 26 0.126 -6.170 -1.821
110 HH12 ARG 26 1HH2 ARG 26 1.690 -6.591 -2.478
111 HH21 ARG 26 2HH1 ARG 26 0.927 -5.498 -5.716
112 HH22 ARG 26 2HH2 ARG 26 2.145 -6.212 -4.683
113 H GLN 27 H GLN 27 -5.201 -2.222 0.106
114 HA GLN 27 HA GLN 27 -7.472 -3.771 0.891
115 HB2 GLN 27 1HB GLN 27 -5.835 -2.730 2.474
116 HB3 GLN 27 2HB GLN 27 -6.472 -1.144 2.062
117 HG2 GLN 27 1HG GLN 27 -8.642 -1.723 2.975
118 HG3 GLN 27 2HG GLN 27 -8.079 -3.385 3.305
119 HE21 GLN 27 2HE1 GLN 27 -7.633 -0.558 6.067
120 HE22 GLN 27 2HE2 GLN 27 -8.705 -0.474 4.709
121 H THR 28 H THR 28 -7.134 -0.559 -0.538
122 HA THR 28 HA THR 28 -9.989 0.022 -0.112
123 HB THR 28 HB THR 28 -9.485 2.200 -1.157
124 HG1 THR 28 1HG THR 28 -7.254 0.807 -1.999
125 HG21 THR 28 2HG1 THR 28 -7.851 3.017 0.495
126 HG22 THR 28 2HG2 THR 28 -9.011 1.898 1.248
127 HG23 THR 28 2HG3 THR 28 -7.368 1.344 0.852
128 H LEU 29 H LEU 29 -7.917 -1.247 -2.585
129 HA LEU 29 HA LEU 29 -9.970 -0.675 -4.667
130 HB2 LEU 29 1HB LEU 29 -7.063 -1.527 -4.905
131 HB3 LEU 29 2HB LEU 29 -8.157 -1.284 -6.271
132 HG LEU 29 HG LEU 29 -7.291 0.875 -4.313
133 HD11 LEU 29 1HD1 LEU 29 -5.967 1.712 -6.204
134 HD12 LEU 29 1HD2 LEU 29 -5.450 0.084 -5.709
135 HD13 LEU 29 1HD3 LEU 29 -6.448 0.296 -7.168
136 HD21 LEU 29 2HD1 LEU 29 -8.372 2.385 -5.944
137 HD22 LEU 29 2HD2 LEU 29 -8.888 0.979 -6.906
138 HD23 LEU 29 2HD3 LEU 29 -9.543 1.227 -5.270
139 H LEU 30 H LEU 30 -7.977 -3.290 -3.294
140 HA LEU 30 HA LEU 30 -9.587 -5.233 -4.885
141 HB2 LEU 30 1HB LEU 30 -6.852 -5.554 -3.598
142 HB3 LEU 30 2HB LEU 30 -7.704 -6.796 -4.521
143 HG LEU 30 HG LEU 30 -6.703 -4.151 -5.631
144 HD11 LEU 30 1HD1 LEU 30 -5.056 -5.553 -6.792
145 HD12 LEU 30 1HD2 LEU 30 -4.894 -5.674 -5.024
146 HD13 LEU 30 1HD3 LEU 30 -5.675 -6.986 -5.938
147 HD21 LEU 30 2HD1 LEU 30 -7.316 -5.150 -7.808
148 HD22 LEU 30 2HD2 LEU 30 -7.967 -6.578 -6.969
149 HD23 LEU 30 2HD3 LEU 30 -8.741 -4.990 -6.753
150 H LYS 31 H LYS 31 -9.708 -3.878 -1.975
151 HA LYS 31 HA LYS 31 -10.425 -4.510 0.120
152 HB2 LYS 31 1HB LYS 31 -11.586 -6.872 -1.413
153 HB3 LYS 31 2HB LYS 31 -12.037 -6.396 0.218
154 HG2 LYS 31 1HG LYS 31 -12.855 -4.220 -0.664
155 HG3 LYS 31 2HG LYS 31 -12.458 -4.763 -2.301
156 HD2 LYS 31 1HD LYS 31 -14.000 -6.692 -2.019
157 HD3 LYS 31 2HD LYS 31 -14.416 -6.109 -0.401
158 HE2 LYS 31 1HE LYS 31 -15.285 -4.013 -1.365
159 HE3 LYS 31 2HE LYS 31 -14.842 -4.561 -2.984
160 HZ1 LYS 31 1HZ LYS 31 -17.150 -4.946 -2.523
161 HZ2 LYS 31 2HZ LYS 31 -16.375 -6.388 -2.721
162 HZ3 LYS 31 3HZ LYS 31 -16.790 -5.875 -1.210
163 H LYS 32 H LYS 32 -7.775 -5.256 -0.588
164 HA LYS 32 HA LYS 32 -7.473 -7.806 0.926
165 HB2 LYS 32 1HB LYS 32 -5.493 -6.259 -0.792
166 HB3 LYS 32 2HB LYS 32 -5.094 -7.705 0.124
167 HG2 LYS 32 1HG LYS 32 -6.759 -8.985 -1.202
168 HG3 LYS 32 2HG LYS 32 -7.093 -7.528 -2.148
169 HD2 LYS 32 1HD LYS 32 -4.733 -7.444 -2.871
170 HD3 LYS 32 2HD LYS 32 -4.383 -8.888 -1.910
171 HE2 LYS 32 1HE LYS 32 -6.048 -10.158 -3.267
172 HE3 LYS 32 2HE LYS 32 -6.308 -8.721 -4.258
173 HZ1 LYS 32 1HZ LYS 32 -4.746 -10.215 -5.265
174 HZ2 LYS 32 2HZ LYS 32 -3.992 -8.800 -4.880
175 HZ3 LYS 32 3HZ LYS 32 -3.748 -10.144 -3.954
176 HA PRO 33 HA PRO 33 -6.845 -5.267 4.455
177 HB2 PRO 33 1HB PRO 33 -5.670 -7.924 5.389
178 HB3 PRO 33 2HB PRO 33 -6.739 -6.821 6.263
179 HG2 PRO 33 1HG PRO 33 -7.814 -8.981 5.152
180 HG3 PRO 33 2HG PRO 33 -8.653 -7.436 4.985
181 HD2 PRO 33 1HD PRO 33 -6.916 -8.904 2.971
182 HD3 PRO 33 2HD PRO 33 -8.449 -7.983 2.701
183 H LYS 34 H LYS 34 -5.166 -3.942 4.836
184 HA LYS 34 HA LYS 34 -2.617 -4.246 3.633
185 HB2 LYS 34 1HB LYS 34 -3.530 -2.067 4.349
186 HB3 LYS 34 2HB LYS 34 -3.427 -2.558 6.034
187 HG2 LYS 34 1HG LYS 34 -0.962 -2.719 5.825
188 HG3 LYS 34 2HG LYS 34 -1.085 -2.179 4.145
189 HD2 LYS 34 1HD LYS 34 -2.050 -0.053 4.849
190 HD3 LYS 34 2HD LYS 34 -2.098 -0.594 6.534
191 HE2 LYS 34 1HE LYS 34 0.387 -0.803 6.507
192 HE3 LYS 34 2HE LYS 34 0.403 -0.183 4.854
193 HZ1 LYS 34 1HZ LYS 34 0.834 1.540 6.447
194 HZ2 LYS 34 2HZ LYS 34 -0.588 1.846 5.667
195 HZ3 LYS 34 3HZ LYS 34 -0.601 1.267 7.211
196 H LYS 35 H LYS 35 -0.945 -5.463 4.080
197 HA LYS 35 HA LYS 35 -0.008 -5.899 6.767
198 HB2 LYS 35 1HB LYS 35 -1.930 -7.490 6.764
199 HB3 LYS 35 2HB LYS 35 -1.239 -8.306 5.369
200 HG2 LYS 35 1HG LYS 35 0.710 -8.979 6.675
201 HG3 LYS 35 2HG LYS 35 0.113 -8.075 8.073
202 HD2 LYS 35 1HD LYS 35 -1.899 -9.513 8.146
203 HD3 LYS 35 2HD LYS 35 -1.303 -10.417 6.747
204 HE2 LYS 35 1HE LYS 35 0.698 -11.090 8.036
205 HE3 LYS 35 2HE LYS 35 0.104 -10.190 9.433
206 HZ1 LYS 35 1HZ LYS 35 -0.416 -12.511 9.593
207 HZ2 LYS 35 2HZ LYS 35 -1.810 -11.636 9.478
208 HZ3 LYS 35 3HZ LYS 35 -1.254 -12.478 8.174
Start of MODEL 3
1 H1 LYS 15 1H LYS 15 9.582 -5.654 4.703
2 H2 LYS 15 2H LYS 15 10.641 -4.423 4.535
3 H3 LYS 15 3H LYS 15 9.495 -4.361 5.695
4 HA LYS 15 HA LYS 15 9.043 -4.327 2.819
5 HB2 LYS 15 1HB LYS 15 7.257 -5.498 4.106
6 HB3 LYS 15 2HB LYS 15 7.064 -4.073 5.119
7 HG2 LYS 15 1HG LYS 15 6.342 -2.760 3.175
8 HG3 LYS 15 2HG LYS 15 6.583 -4.165 2.126
9 HD2 LYS 15 1HD LYS 15 4.701 -4.142 4.513
10 HD3 LYS 15 2HD LYS 15 4.196 -3.785 2.855
11 HE2 LYS 15 1HE LYS 15 5.017 -6.026 2.146
12 HE3 LYS 15 2HE LYS 15 5.452 -6.381 3.820
13 HZ1 LYS 15 1HZ LYS 15 3.320 -7.285 3.252
14 HZ2 LYS 15 2HZ LYS 15 3.140 -6.128 4.413
15 HZ3 LYS 15 3HZ LYS 15 2.734 -5.797 2.849
16 H LYS 16 H LYS 16 9.134 -2.420 1.879
17 HA LYS 16 HA LYS 16 9.883 -0.096 3.480
18 HB2 LYS 16 1HB LYS 16 9.391 -0.451 0.498
19 HB3 LYS 16 2HB LYS 16 9.928 1.053 1.232
20 HG2 LYS 16 1HG LYS 16 11.971 -0.084 2.051
21 HG3 LYS 16 2HG LYS 16 11.433 -1.579 1.274
22 HD2 LYS 16 1HD LYS 16 11.440 -0.439 -0.925
23 HD3 LYS 16 2HD LYS 16 11.982 1.055 -0.145
24 HE2 LYS 16 1HE LYS 16 14.040 -0.081 0.616
25 HE3 LYS 16 2HE LYS 16 13.500 -1.581 -0.144
26 HZ1 LYS 16 1HZ LYS 16 15.031 -0.391 -1.533
27 HZ2 LYS 16 2HZ LYS 16 13.553 -0.458 -2.264
28 HZ3 LYS 16 3HZ LYS 16 14.059 0.942 -1.555
29 HA PRO 17 HA PRO 17 6.110 1.921 4.151
30 HB2 PRO 17 1HB PRO 17 7.406 4.312 2.780
31 HB3 PRO 17 2HB PRO 17 6.532 4.254 4.316
32 HG2 PRO 17 1HG PRO 17 9.188 4.332 4.389
33 HG3 PRO 17 2HG PRO 17 8.344 3.220 5.469
34 HD2 PRO 17 1HD PRO 17 9.743 2.641 2.829
35 HD3 PRO 17 2HD PRO 17 9.760 1.683 4.365
36 H LEU 18 H LEU 18 7.675 2.343 0.979
37 HA LEU 18 HA LEU 18 5.359 3.183 -0.466
38 HB2 LEU 18 1HB LEU 18 7.867 1.712 -1.341
39 HB3 LEU 18 2HB LEU 18 6.637 2.300 -2.465
40 HG LEU 18 HG LEU 18 8.245 4.070 -0.588
41 HD11 LEU 18 1HD1 LEU 18 9.463 4.728 -2.615
42 HD12 LEU 18 1HD2 LEU 18 9.669 2.998 -2.257
43 HD13 LEU 18 1HD3 LEU 18 8.562 3.513 -3.551
44 HD21 LEU 18 2HD1 LEU 18 7.319 5.879 -1.995
45 HD22 LEU 18 2HD2 LEU 18 6.387 4.680 -2.924
46 HD23 LEU 18 2HD3 LEU 18 6.020 4.954 -1.204
47 H GLY 19 H GLY 19 6.716 -0.031 0.229
48 HA2 GLY 19 1HA GLY 19 4.758 -1.506 -1.288
49 HA3 GLY 19 2HA GLY 19 5.794 -2.150 -0.029
50 H LYS 20 H LYS 20 4.948 -0.322 2.054
51 HA LYS 20 HA LYS 20 2.614 -1.661 3.028
52 HB2 LYS 20 1HB LYS 20 3.972 0.922 3.884
53 HB3 LYS 20 2HB LYS 20 2.614 0.214 4.747
54 HG2 LYS 20 1HG LYS 20 3.929 -1.812 5.196
55 HG3 LYS 20 2HG LYS 20 5.292 -1.137 4.292
56 HD2 LYS 20 1HD LYS 20 5.392 0.766 5.886
57 HD3 LYS 20 2HD LYS 20 4.050 0.059 6.798
58 HE2 LYS 20 1HE LYS 20 5.406 -1.959 7.240
59 HE3 LYS 20 2HE LYS 20 6.746 -1.267 6.320
60 HZ1 LYS 20 1HZ LYS 20 7.022 -0.933 8.665
61 HZ2 LYS 20 2HZ LYS 20 6.839 0.525 7.914
62 HZ3 LYS 20 3HZ LYS 20 5.590 -0.122 8.774
63 H MET 21 H MET 21 3.090 1.489 1.449
64 HA MET 21 HA MET 21 0.325 2.271 1.620
65 HB2 MET 21 1HB MET 21 2.622 3.134 -0.167
66 HB3 MET 21 2HB MET 21 1.014 3.834 -0.297
67 HG2 MET 21 1HG MET 21 2.832 3.926 2.125
68 HG3 MET 21 2HG MET 21 2.436 5.261 1.040
69 HE1 MET 21 1HE MET 21 -1.378 5.824 1.794
70 HE2 MET 21 2HE MET 21 0.038 6.382 0.869
71 HE3 MET 21 3HE MET 21 -0.680 4.789 0.524
72 H ALA 22 H ALA 22 2.225 0.488 -0.779
73 HA ALA 22 HA ALA 22 0.220 0.260 -2.766
74 HB1 ALA 22 1HB ALA 22 1.433 -1.775 -3.476
75 HB2 ALA 22 2HB ALA 22 2.546 -0.431 -3.132
76 HB3 ALA 22 3HB ALA 22 2.353 -1.749 -1.954
77 H ASP 23 H ASP 23 0.877 -1.771 0.090
78 HA ASP 23 HA ASP 23 -1.313 -3.571 -0.368
79 HB2 ASP 23 1HB ASP 23 0.267 -2.815 2.112
80 HB3 ASP 23 2HB ASP 23 -1.048 -3.982 2.162
81 H TRP 24 H TRP 24 -1.012 -0.477 1.324
82 HA TRP 24 HA TRP 24 -3.602 -0.422 2.493
83 HB2 TRP 24 1HB TRP 24 -1.806 1.210 3.017
84 HB3 TRP 24 2HB TRP 24 -1.942 1.885 1.401
85 HD1 TRP 24 1HD TRP 24 -3.976 1.592 4.684
86 HE1 TRP 24 1HE TRP 24 -5.687 3.527 4.772
87 HE3 TRP 24 3HE TRP 24 -3.193 3.549 0.008
88 HZ2 TRP 24 2HZ TRP 24 -6.566 5.601 3.069
89 HZ3 TRP 24 3HZ TRP 24 -4.504 5.509 -0.701
90 HH2 TRP 24 2HH TRP 24 -6.164 6.526 0.802
91 H PHE 25 H PHE 25 -2.454 0.614 -0.721
92 HA PHE 25 HA PHE 25 -5.018 1.481 -1.668
93 HB2 PHE 25 1HB PHE 25 -2.455 0.604 -3.016
94 HB3 PHE 25 2HB PHE 25 -3.896 0.927 -3.967
95 HD1 PHE 25 1HD PHE 25 -0.981 2.328 -2.642
96 HD2 PHE 25 2HD PHE 25 -5.086 3.239 -3.394
97 HE1 PHE 25 1HE PHE 25 -0.447 4.741 -2.625
98 HE2 PHE 25 2HE PHE 25 -4.556 5.654 -3.380
99 HZ PHE 25 HZ PHE 25 -2.235 6.404 -2.994
100 H ARG 26 H ARG 26 -3.369 -1.656 -1.648
101 HA ARG 26 HA ARG 26 -5.308 -3.036 -3.247
102 HB2 ARG 26 1HB ARG 26 -3.330 -3.982 -1.155
103 HB3 ARG 26 2HB ARG 26 -4.372 -5.084 -2.042
104 HG2 ARG 26 1HG ARG 26 -3.339 -4.513 -4.129
105 HG3 ARG 26 2HG ARG 26 -2.427 -3.185 -3.371
106 HD2 ARG 26 1HD ARG 26 -1.181 -4.738 -2.045
107 HD3 ARG 26 2HD ARG 26 -2.157 -6.094 -2.656
108 HE ARG 26 HE ARG 26 -1.198 -5.124 -4.948
109 HH11 ARG 26 1HH1 ARG 26 0.424 -5.701 -1.886
110 HH12 ARG 26 1HH2 ARG 26 1.974 -6.032 -2.625
111 HH21 ARG 26 2HH1 ARG 26 0.819 -5.557 -5.897
112 HH22 ARG 26 2HH2 ARG 26 2.199 -5.950 -4.896
113 H GLN 27 H GLN 27 -5.067 -2.319 0.211
114 HA GLN 27 HA GLN 27 -7.308 -3.860 1.065
115 HB2 GLN 27 1HB GLN 27 -5.673 -2.787 2.609
116 HB3 GLN 27 2HB GLN 27 -6.287 -1.205 2.154
117 HG2 GLN 27 1HG GLN 27 -8.460 -1.723 3.101
118 HG3 GLN 27 2HG GLN 27 -7.916 -3.381 3.483
119 HE21 GLN 27 2HE1 GLN 27 -7.552 -0.654 6.267
120 HE22 GLN 27 2HE2 GLN 27 -8.723 -0.716 4.992
121 H THR 28 H THR 28 -7.059 -0.546 -0.209
122 HA THR 28 HA THR 28 -9.873 0.017 0.103
123 HB THR 28 HB THR 28 -7.780 1.324 -1.689
124 HG1 THR 28 1HG THR 28 -7.272 1.619 0.467
125 HG21 THR 28 2HG1 THR 28 -9.359 3.213 -1.776
126 HG22 THR 28 2HG2 THR 28 -10.082 1.747 -2.479
127 HG23 THR 28 2HG3 THR 28 -10.544 2.272 -0.843
128 H LEU 29 H LEU 29 -7.878 -1.235 -2.562
129 HA LEU 29 HA LEU 29 -10.182 -0.924 -4.395
130 HB2 LEU 29 1HB LEU 29 -7.278 -1.657 -4.910
131 HB3 LEU 29 2HB LEU 29 -8.510 -1.468 -6.162
132 HG LEU 29 HG LEU 29 -7.546 0.740 -4.309
133 HD11 LEU 29 1HD1 LEU 29 -6.437 1.609 -6.319
134 HD12 LEU 29 1HD2 LEU 29 -5.812 0.006 -5.864
135 HD13 LEU 29 1HD3 LEU 29 -6.948 0.166 -7.225
136 HD21 LEU 29 2HD1 LEU 29 -8.831 2.190 -5.843
137 HD22 LEU 29 2HD2 LEU 29 -9.378 0.756 -6.744
138 HD23 LEU 29 2HD3 LEU 29 -9.890 0.996 -5.056
139 H LEU 30 H LEU 30 -7.947 -3.425 -3.188
140 HA LEU 30 HA LEU 30 -9.522 -5.452 -4.700
141 HB2 LEU 30 1HB LEU 30 -6.747 -5.624 -3.472
142 HB3 LEU 30 2HB LEU 30 -7.552 -6.916 -4.369
143 HG LEU 30 HG LEU 30 -6.700 -4.229 -5.507
144 HD11 LEU 30 1HD1 LEU 30 -5.039 -5.568 -6.721
145 HD12 LEU 30 1HD2 LEU 30 -4.820 -5.688 -4.961
146 HD13 LEU 30 1HD3 LEU 30 -5.580 -7.025 -5.856
147 HD21 LEU 30 2HD1 LEU 30 -7.342 -5.244 -7.668
148 HD22 LEU 30 2HD2 LEU 30 -7.915 -6.699 -6.815
149 HD23 LEU 30 2HD3 LEU 30 -8.739 -5.139 -6.570
150 H LYS 31 H LYS 31 -9.680 -4.107 -1.797
151 HA LYS 31 HA LYS 31 -10.347 -4.774 0.304
152 HB2 LYS 31 1HB LYS 31 -11.371 -7.206 -1.217
153 HB3 LYS 31 2HB LYS 31 -11.839 -6.757 0.417
154 HG2 LYS 31 1HG LYS 31 -12.794 -4.635 -0.462
155 HG3 LYS 31 2HG LYS 31 -12.375 -5.155 -2.100
156 HD2 LYS 31 1HD LYS 31 -13.795 -7.173 -1.809
157 HD3 LYS 31 2HD LYS 31 -14.235 -6.616 -0.187
158 HE2 LYS 31 1HE LYS 31 -15.236 -4.578 -1.147
159 HE3 LYS 31 2HE LYS 31 -14.772 -5.100 -2.769
160 HZ1 LYS 31 1HZ LYS 31 -17.050 -5.623 -2.292
161 HZ2 LYS 31 2HZ LYS 31 -16.189 -7.016 -2.495
162 HZ3 LYS 31 3HZ LYS 31 -16.624 -6.528 -0.981
163 H LYS 32 H LYS 32 -7.669 -5.289 -0.303
164 HA LYS 32 HA LYS 32 -7.228 -7.807 1.248
165 HB2 LYS 32 1HB LYS 32 -5.353 -6.332 -0.644
166 HB3 LYS 32 2HB LYS 32 -4.897 -7.725 0.326
167 HG2 LYS 32 1HG LYS 32 -6.590 -9.094 -0.858
168 HG3 LYS 32 2HG LYS 32 -7.005 -7.692 -1.854
169 HD2 LYS 32 1HD LYS 32 -4.678 -7.594 -2.690
170 HD3 LYS 32 2HD LYS 32 -4.262 -8.997 -1.695
171 HE2 LYS 32 1HE LYS 32 -5.966 -10.339 -2.922
172 HE3 LYS 32 2HE LYS 32 -6.306 -8.942 -3.947
173 HZ1 LYS 32 1HZ LYS 32 -4.771 -10.445 -4.984
174 HZ2 LYS 32 2HZ LYS 32 -4.024 -9.004 -4.687
175 HZ3 LYS 32 3HZ LYS 32 -3.707 -10.310 -3.731
176 HA PRO 33 HA PRO 33 -6.575 -4.790 4.445
177 HB2 PRO 33 1HB PRO 33 -5.794 -7.405 5.806
178 HB3 PRO 33 2HB PRO 33 -6.752 -6.066 6.450
179 HG2 PRO 33 1HG PRO 33 -8.041 -8.223 5.582
180 HG3 PRO 33 2HG PRO 33 -8.671 -6.630 5.154
181 HD2 PRO 33 1HD PRO 33 -7.044 -8.565 3.470
182 HD3 PRO 33 2HD PRO 33 -8.437 -7.519 2.983
183 H LYS 34 H LYS 34 -4.754 -3.664 4.862
184 HA LYS 34 HA LYS 34 -2.231 -4.402 3.780
185 HB2 LYS 34 1HB LYS 34 -2.912 -2.061 4.256
186 HB3 LYS 34 2HB LYS 34 -2.853 -2.392 5.982
187 HG2 LYS 34 1HG LYS 34 -0.435 -2.828 5.831
188 HG3 LYS 34 2HG LYS 34 -0.487 -2.519 4.089
189 HD2 LYS 34 1HD LYS 34 0.257 -0.493 5.109
190 HD3 LYS 34 2HD LYS 34 -1.426 -0.218 4.634
191 HE2 LYS 34 1HE LYS 34 -2.184 -0.611 6.917
192 HE3 LYS 34 2HE LYS 34 -0.553 -1.054 7.423
193 HZ1 LYS 34 1HZ LYS 34 -1.077 1.197 8.010
194 HZ2 LYS 34 2HZ LYS 34 0.152 1.182 6.909
195 HZ3 LYS 34 3HZ LYS 34 -1.373 1.596 6.438
196 H LYS 35 H LYS 35 -0.708 -5.724 4.424
197 HA LYS 35 HA LYS 35 -0.012 -6.043 7.216
198 HB2 LYS 35 1HB LYS 35 -2.043 -7.489 7.104
199 HB3 LYS 35 2HB LYS 35 -1.294 -8.425 5.818
200 HG2 LYS 35 1HG LYS 35 0.471 -9.167 7.330
201 HG3 LYS 35 2HG LYS 35 -0.178 -8.150 8.624
202 HD2 LYS 35 1HD LYS 35 -2.292 -9.434 8.575
203 HD3 LYS 35 2HD LYS 35 -1.647 -10.449 7.277
204 HE2 LYS 35 1HE LYS 35 0.176 -11.201 8.771
205 HE3 LYS 35 2HE LYS 35 -0.466 -10.190 10.068
206 HZ1 LYS 35 1HZ LYS 35 -1.178 -12.457 10.281
207 HZ2 LYS 35 2HZ LYS 35 -2.484 -11.488 10.001
208 HZ3 LYS 35 3HZ LYS 35 -1.883 -12.433 8.790
Start of MODEL 4
1 H1 LYS 15 1H LYS 15 9.613 -5.596 4.696
2 H2 LYS 15 2H LYS 15 10.688 -4.394 4.443
3 H3 LYS 15 3H LYS 15 9.591 -4.268 5.645
4 HA LYS 15 HA LYS 15 9.024 -4.322 2.790
5 HB2 LYS 15 1HB LYS 15 7.272 -5.411 4.200
6 HB3 LYS 15 2HB LYS 15 7.141 -3.939 5.152
7 HG2 LYS 15 1HG LYS 15 6.379 -2.703 3.167
8 HG3 LYS 15 2HG LYS 15 6.538 -4.169 2.189
9 HD2 LYS 15 1HD LYS 15 4.756 -3.949 4.641
10 HD3 LYS 15 2HD LYS 15 4.197 -3.698 2.980
11 HE2 LYS 15 1HE LYS 15 4.967 -6.006 2.411
12 HE3 LYS 15 2HE LYS 15 5.416 -6.247 4.101
13 HZ1 LYS 15 1HZ LYS 15 3.255 -7.137 3.628
14 HZ2 LYS 15 2HZ LYS 15 3.121 -5.892 4.702
15 HZ3 LYS 15 3HZ LYS 15 2.701 -5.667 3.123
16 H LYS 16 H LYS 16 9.127 -2.450 1.784
17 HA LYS 16 HA LYS 16 9.970 -0.088 3.280
18 HB2 LYS 16 1HB LYS 16 9.387 -0.536 0.327
19 HB3 LYS 16 2HB LYS 16 9.976 0.980 0.993
20 HG2 LYS 16 1HG LYS 16 12.017 -0.172 1.794
21 HG3 LYS 16 2HG LYS 16 11.427 -1.680 1.084
22 HD2 LYS 16 1HD LYS 16 11.395 -0.618 -1.151
23 HD3 LYS 16 2HD LYS 16 11.989 0.891 -0.441
24 HE2 LYS 16 1HE LYS 16 14.044 -0.262 0.303
25 HE3 LYS 16 2HE LYS 16 13.453 -1.774 -0.389
26 HZ1 LYS 16 1HZ LYS 16 14.967 -0.665 -1.860
27 HZ2 LYS 16 2HZ LYS 16 13.468 -0.726 -2.548
28 HZ3 LYS 16 3HZ LYS 16 14.022 0.686 -1.901
29 HA PRO 17 HA PRO 17 6.259 2.020 3.992
30 HB2 PRO 17 1HB PRO 17 7.562 4.343 2.514
31 HB3 PRO 17 2HB PRO 17 6.730 4.347 4.075
32 HG2 PRO 17 1HG PRO 17 9.388 4.375 4.073
33 HG3 PRO 17 2HG PRO 17 8.552 3.312 5.209
34 HD2 PRO 17 1HD PRO 17 9.867 2.628 2.552
35 HD3 PRO 17 2HD PRO 17 9.907 1.715 4.113
36 H LEU 18 H LEU 18 7.742 2.317 0.767
37 HA LEU 18 HA LEU 18 5.402 3.154 -0.640
38 HB2 LEU 18 1HB LEU 18 7.858 1.612 -1.537
39 HB3 LEU 18 2HB LEU 18 6.607 2.187 -2.644
40 HG LEU 18 HG LEU 18 8.296 3.984 -0.869
41 HD11 LEU 18 1HD1 LEU 18 9.469 4.558 -2.949
42 HD12 LEU 18 1HD2 LEU 18 9.656 2.836 -2.540
43 HD13 LEU 18 1HD3 LEU 18 8.523 3.330 -3.821
44 HD21 LEU 18 2HD1 LEU 18 7.363 5.765 -2.309
45 HD22 LEU 18 2HD2 LEU 18 6.386 4.554 -3.174
46 HD23 LEU 18 2HD3 LEU 18 6.070 4.889 -1.455
47 H GLY 19 H GLY 19 6.721 -0.061 0.118
48 HA2 GLY 19 1HA GLY 19 4.691 -1.538 -1.306
49 HA3 GLY 19 2HA GLY 19 5.767 -2.174 -0.076
50 H LYS 20 H LYS 20 5.020 -0.271 1.993
51 HA LYS 20 HA LYS 20 2.728 -1.572 3.102
52 HB2 LYS 20 1HB LYS 20 4.121 1.035 3.814
53 HB3 LYS 20 2HB LYS 20 2.795 0.363 4.755
54 HG2 LYS 20 1HG LYS 20 4.123 -1.653 5.218
55 HG3 LYS 20 2HG LYS 20 5.451 -1.008 4.243
56 HD2 LYS 20 1HD LYS 20 5.613 0.944 5.769
57 HD3 LYS 20 2HD LYS 20 4.304 0.270 6.754
58 HE2 LYS 20 1HE LYS 20 5.676 -1.736 7.209
59 HE3 LYS 20 2HE LYS 20 6.980 -1.073 6.221
60 HZ1 LYS 20 1HZ LYS 20 7.338 -0.668 8.544
61 HZ2 LYS 20 2HZ LYS 20 7.128 0.766 7.755
62 HZ3 LYS 20 3HZ LYS 20 5.911 0.146 8.678
63 H MET 21 H MET 21 3.132 1.557 1.452
64 HA MET 21 HA MET 21 0.361 2.303 1.666
65 HB2 MET 21 1HB MET 21 2.606 3.160 -0.188
66 HB3 MET 21 2HB MET 21 0.985 3.836 -0.298
67 HG2 MET 21 1HG MET 21 2.850 4.000 2.086
68 HG3 MET 21 2HG MET 21 2.421 5.307 0.979
69 HE1 MET 21 1HE MET 21 -1.391 5.833 1.787
70 HE2 MET 21 2HE MET 21 -0.002 6.385 0.818
71 HE3 MET 21 3HE MET 21 -0.703 4.773 0.534
72 H ALA 22 H ALA 22 2.234 0.514 -0.753
73 HA ALA 22 HA ALA 22 0.214 0.260 -2.712
74 HB1 ALA 22 1HB ALA 22 1.422 -1.780 -3.417
75 HB2 ALA 22 2HB ALA 22 2.538 -0.434 -3.089
76 HB3 ALA 22 3HB ALA 22 2.352 -1.744 -1.901
77 H ASP 23 H ASP 23 0.890 -1.755 0.152
78 HA ASP 23 HA ASP 23 -1.255 -3.595 -0.281
79 HB2 ASP 23 1HB ASP 23 0.248 -2.724 2.210
80 HB3 ASP 23 2HB ASP 23 -1.037 -3.923 2.267
81 H TRP 24 H TRP 24 -1.066 -0.475 1.398
82 HA TRP 24 HA TRP 24 -3.696 -0.467 2.475
83 HB2 TRP 24 1HB TRP 24 -1.906 1.188 3.035
84 HB3 TRP 24 2HB TRP 24 -2.081 1.896 1.435
85 HD1 TRP 24 1HD TRP 24 -3.908 1.611 4.807
86 HE1 TRP 24 1HE TRP 24 -5.745 3.427 4.927
87 HE3 TRP 24 3HE TRP 24 -3.625 3.336 -0.014
88 HZ2 TRP 24 2HZ TRP 24 -6.900 5.329 3.191
89 HZ3 TRP 24 3HZ TRP 24 -5.127 5.155 -0.723
90 HH2 TRP 24 2HH TRP 24 -6.739 6.143 0.851
91 H PHE 25 H PHE 25 -2.453 0.593 -0.694
92 HA PHE 25 HA PHE 25 -5.000 1.468 -1.696
93 HB2 PHE 25 1HB PHE 25 -2.393 0.649 -3.005
94 HB3 PHE 25 2HB PHE 25 -3.809 1.037 -3.970
95 HD1 PHE 25 1HD PHE 25 -0.905 2.336 -2.546
96 HD2 PHE 25 2HD PHE 25 -4.996 3.328 -3.269
97 HE1 PHE 25 1HE PHE 25 -0.347 4.739 -2.392
98 HE2 PHE 25 2HE PHE 25 -4.442 5.732 -3.117
99 HZ PHE 25 HZ PHE 25 -2.117 6.438 -2.677
100 H ARG 26 H ARG 26 -3.308 -1.644 -1.699
101 HA ARG 26 HA ARG 26 -5.146 -3.012 -3.417
102 HB2 ARG 26 1HB ARG 26 -3.272 -3.976 -1.240
103 HB3 ARG 26 2HB ARG 26 -4.256 -5.073 -2.197
104 HG2 ARG 26 1HG ARG 26 -3.119 -4.475 -4.214
105 HG3 ARG 26 2HG ARG 26 -2.277 -3.131 -3.405
106 HD2 ARG 26 1HD ARG 26 -1.075 -4.672 -2.015
107 HD3 ARG 26 2HD ARG 26 -1.977 -6.042 -2.704
108 HE ARG 26 HE ARG 26 -0.911 -5.026 -4.921
109 HH11 ARG 26 1HH1 ARG 26 0.550 -5.553 -1.770
110 HH12 ARG 26 1HH2 ARG 26 2.153 -5.818 -2.418
111 HH21 ARG 26 2HH1 ARG 26 1.174 -5.373 -5.750
112 HH22 ARG 26 2HH2 ARG 26 2.507 -5.718 -4.671
113 H GLN 27 H GLN 27 -5.062 -2.449 0.089
114 HA GLN 27 HA GLN 27 -7.381 -3.976 0.743
115 HB2 GLN 27 1HB GLN 27 -5.796 -3.044 2.423
116 HB3 GLN 27 2HB GLN 27 -6.348 -1.420 2.036
117 HG2 GLN 27 1HG GLN 27 -8.585 -1.948 2.836
118 HG3 GLN 27 2HG GLN 27 -8.079 -3.628 3.168
119 HE21 GLN 27 2HE1 GLN 27 -7.794 -0.993 6.067
120 HE22 GLN 27 2HE2 GLN 27 -8.884 -0.954 4.720
121 H THR 28 H THR 28 -6.982 -0.606 -0.327
122 HA THR 28 HA THR 28 -9.769 0.058 -0.038
123 HB THR 28 HB THR 28 -7.595 1.361 -1.733
124 HG1 THR 28 1HG THR 28 -7.088 1.551 0.421
125 HG21 THR 28 2HG1 THR 28 -9.088 3.321 -1.742
126 HG22 THR 28 2HG2 THR 28 -9.865 1.927 -2.529
127 HG23 THR 28 2HG3 THR 28 -10.328 2.387 -0.874
128 H LEU 29 H LEU 29 -7.803 -1.178 -2.727
129 HA LEU 29 HA LEU 29 -10.091 -0.689 -4.558
130 HB2 LEU 29 1HB LEU 29 -7.181 -1.348 -5.134
131 HB3 LEU 29 2HB LEU 29 -8.417 -1.037 -6.357
132 HG LEU 29 HG LEU 29 -7.438 0.977 -4.301
133 HD11 LEU 29 1HD1 LEU 29 -6.351 2.043 -6.226
134 HD12 LEU 29 1HD2 LEU 29 -5.723 0.403 -5.941
135 HD13 LEU 29 1HD3 LEU 29 -6.874 0.697 -7.267
136 HD21 LEU 29 2HD1 LEU 29 -8.739 2.574 -5.667
137 HD22 LEU 29 2HD2 LEU 29 -9.297 1.236 -6.701
138 HD23 LEU 29 2HD3 LEU 29 -9.790 1.305 -4.992
139 H LEU 30 H LEU 30 -7.859 -3.238 -3.476
140 HA LEU 30 HA LEU 30 -9.350 -5.176 -5.180
141 HB2 LEU 30 1HB LEU 30 -6.620 -5.400 -3.860
142 HB3 LEU 30 2HB LEU 30 -7.375 -6.640 -4.868
143 HG LEU 30 HG LEU 30 -6.519 -3.877 -5.801
144 HD11 LEU 30 1HD1 LEU 30 -4.794 -5.116 -7.031
145 HD12 LEU 30 1HD2 LEU 30 -4.638 -5.344 -5.274
146 HD13 LEU 30 1HD3 LEU 30 -5.345 -6.631 -6.279
147 HD21 LEU 30 2HD1 LEU 30 -7.064 -4.762 -8.044
148 HD22 LEU 30 2HD2 LEU 30 -7.648 -6.274 -7.306
149 HD23 LEU 30 2HD3 LEU 30 -8.503 -4.744 -6.996
150 H LYS 31 H LYS 31 -9.623 -4.027 -2.197
151 HA LYS 31 HA LYS 31 -10.367 -4.841 -0.174
152 HB2 LYS 31 1HB LYS 31 -11.334 -7.152 -1.906
153 HB3 LYS 31 2HB LYS 31 -11.864 -6.821 -0.263
154 HG2 LYS 31 1HG LYS 31 -12.782 -4.637 -1.020
155 HG3 LYS 31 2HG LYS 31 -12.301 -5.037 -2.675
156 HD2 LYS 31 1HD LYS 31 -13.733 -7.066 -2.587
157 HD3 LYS 31 2HD LYS 31 -14.235 -6.627 -0.947
158 HE2 LYS 31 1HE LYS 31 -15.196 -4.521 -1.793
159 HE3 LYS 31 2HE LYS 31 -14.670 -4.923 -3.429
160 HZ1 LYS 31 1HZ LYS 31 -16.965 -5.472 -3.080
161 HZ2 LYS 31 2HZ LYS 31 -16.100 -6.850 -3.351
162 HZ3 LYS 31 3HZ LYS 31 -16.593 -6.472 -1.823
163 H LYS 32 H LYS 32 -7.666 -5.330 -0.727
164 HA LYS 32 HA LYS 32 -7.289 -7.948 0.666
165 HB2 LYS 32 1HB LYS 32 -5.333 -6.337 -1.022
166 HB3 LYS 32 2HB LYS 32 -4.921 -7.800 -0.138
167 HG2 LYS 32 1HG LYS 32 -6.551 -9.074 -1.501
168 HG3 LYS 32 2HG LYS 32 -6.923 -7.600 -2.406
169 HD2 LYS 32 1HD LYS 32 -4.559 -7.442 -3.122
170 HD3 LYS 32 2HD LYS 32 -4.188 -8.916 -2.218
171 HE2 LYS 32 1HE LYS 32 -5.829 -10.159 -3.622
172 HE3 LYS 32 2HE LYS 32 -6.122 -8.689 -4.554
173 HZ1 LYS 32 1HZ LYS 32 -4.537 -10.111 -5.627
174 HZ2 LYS 32 2HZ LYS 32 -3.807 -8.699 -5.187
175 HZ3 LYS 32 3HZ LYS 32 -3.534 -10.073 -4.318
176 HA PRO 33 HA PRO 33 -6.822 -5.204 4.112
177 HB2 PRO 33 1HB PRO 33 -5.992 -7.896 5.287
178 HB3 PRO 33 2HB PRO 33 -7.015 -6.645 6.004
179 HG2 PRO 33 1HG PRO 33 -8.200 -8.762 4.918
180 HG3 PRO 33 2HG PRO 33 -8.871 -7.160 4.600
181 HD2 PRO 33 1HD PRO 33 -7.130 -8.900 2.821
182 HD3 PRO 33 2HD PRO 33 -8.535 -7.851 2.373
183 H LYS 34 H LYS 34 -5.062 -4.033 4.628
184 HA LYS 34 HA LYS 34 -2.455 -4.648 3.666
185 HB2 LYS 34 1HB LYS 34 -3.196 -2.350 4.158
186 HB3 LYS 34 2HB LYS 34 -3.315 -2.732 5.869
187 HG2 LYS 34 1HG LYS 34 -0.882 -3.121 5.960
188 HG3 LYS 34 2HG LYS 34 -0.761 -2.743 4.236
189 HD2 LYS 34 1HD LYS 34 -1.545 -0.472 4.623
190 HD3 LYS 34 2HD LYS 34 -1.864 -0.832 6.327
191 HE2 LYS 34 1HE LYS 34 0.564 -1.291 6.655
192 HE3 LYS 34 2HE LYS 34 0.858 -0.849 4.971
193 HZ1 LYS 34 1HZ LYS 34 1.279 0.975 6.448
194 HZ2 LYS 34 2HZ LYS 34 0.010 1.342 5.459
195 HZ3 LYS 34 3HZ LYS 34 -0.262 0.929 7.032
196 H LYS 35 H LYS 35 -0.871 -5.867 4.383
197 HA LYS 35 HA LYS 35 -0.414 -6.311 7.211
198 HB2 LYS 35 1HB LYS 35 -2.295 -7.900 6.804
199 HB3 LYS 35 2HB LYS 35 -1.348 -8.683 5.547
200 HG2 LYS 35 1HG LYS 35 0.320 -9.388 7.184
201 HG3 LYS 35 2HG LYS 35 -0.536 -8.517 8.464
202 HD2 LYS 35 1HD LYS 35 -2.519 -9.956 8.123
203 HD3 LYS 35 2HD LYS 35 -1.668 -10.824 6.836
204 HE2 LYS 35 1HE LYS 35 0.060 -11.534 8.459
205 HE3 LYS 35 2HE LYS 35 -0.787 -10.669 9.744
206 HZ1 LYS 35 1HZ LYS 35 -1.322 -12.993 9.743
207 HZ2 LYS 35 2HZ LYS 35 -2.671 -12.112 9.392
208 HZ3 LYS 35 3HZ LYS 35 -1.879 -12.921 8.193
Start of MODEL 5
1 H1 LYS 15 1H LYS 15 8.549 -5.831 4.958
2 H2 LYS 15 2H LYS 15 9.786 -4.778 5.121
3 H3 LYS 15 3H LYS 15 8.379 -4.512 5.904
4 HA LYS 15 HA LYS 15 8.781 -4.491 3.020
5 HB2 LYS 15 1HB LYS 15 6.300 -4.037 4.722
6 HB3 LYS 15 2HB LYS 15 6.410 -3.587 3.026
7 HG2 LYS 15 1HG LYS 15 6.799 -5.947 2.418
8 HG3 LYS 15 2HG LYS 15 6.687 -6.399 4.125
9 HD2 LYS 15 1HD LYS 15 4.379 -5.627 4.233
10 HD3 LYS 15 2HD LYS 15 4.476 -4.995 2.582
11 HE2 LYS 15 1HE LYS 15 4.808 -7.263 1.704
12 HE3 LYS 15 2HE LYS 15 4.803 -7.922 3.342
13 HZ1 LYS 15 1HZ LYS 15 2.679 -8.173 2.285
14 HZ2 LYS 15 2HZ LYS 15 2.539 -7.160 3.580
15 HZ3 LYS 15 3HZ LYS 15 2.544 -6.546 2.049
16 H LYS 16 H LYS 16 8.831 -2.490 2.037
17 HA LYS 16 HA LYS 16 9.667 -0.271 3.767
18 HB2 LYS 16 1HB LYS 16 9.381 -0.513 0.748
19 HB3 LYS 16 2HB LYS 16 9.958 0.930 1.568
20 HG2 LYS 16 1HG LYS 16 11.856 -0.365 2.495
21 HG3 LYS 16 2HG LYS 16 11.281 -1.797 1.631
22 HD2 LYS 16 1HD LYS 16 11.529 -0.600 -0.522
23 HD3 LYS 16 2HD LYS 16 12.104 0.833 0.344
24 HE2 LYS 16 1HE LYS 16 14.022 -0.457 1.215
25 HE3 LYS 16 2HE LYS 16 13.447 -1.896 0.369
26 HZ1 LYS 16 1HZ LYS 16 15.150 -0.769 -0.863
27 HZ2 LYS 16 2HZ LYS 16 13.731 -0.719 -1.703
28 HZ3 LYS 16 3HZ LYS 16 14.269 0.625 -0.912
29 HA PRO 17 HA PRO 17 6.019 1.996 4.230
30 HB2 PRO 17 1HB PRO 17 7.505 4.280 2.863
31 HB3 PRO 17 2HB PRO 17 6.553 4.313 4.353
32 HG2 PRO 17 1HG PRO 17 9.200 4.245 4.563
33 HG3 PRO 17 2HG PRO 17 8.241 3.208 5.622
34 HD2 PRO 17 1HD PRO 17 9.747 2.488 3.082
35 HD3 PRO 17 2HD PRO 17 9.613 1.563 4.630
36 H LEU 18 H LEU 18 7.717 2.346 1.109
37 HA LEU 18 HA LEU 18 5.504 3.182 -0.462
38 HB2 LEU 18 1HB LEU 18 7.800 3.257 -1.286
39 HB3 LEU 18 2HB LEU 18 7.923 1.497 -1.199
40 HG LEU 18 HG LEU 18 6.189 1.312 -2.975
41 HD11 LEU 18 1HD1 LEU 18 5.542 3.331 -4.212
42 HD12 LEU 18 1HD2 LEU 18 5.008 3.399 -2.516
43 HD13 LEU 18 1HD3 LEU 18 6.429 4.334 -3.041
44 HD21 LEU 18 2HD1 LEU 18 7.652 2.106 -4.802
45 HD22 LEU 18 2HD2 LEU 18 8.570 3.093 -3.639
46 HD23 LEU 18 2HD3 LEU 18 8.601 1.317 -3.520
47 H GLY 19 H GLY 19 6.762 -0.099 0.205
48 HA2 GLY 19 1HA GLY 19 4.755 -1.488 -1.295
49 HA3 GLY 19 2HA GLY 19 5.765 -2.180 -0.039
50 H LYS 20 H LYS 20 4.933 -0.312 2.044
51 HA LYS 20 HA LYS 20 2.597 -1.650 3.016
52 HB2 LYS 20 1HB LYS 20 3.972 0.924 3.867
53 HB3 LYS 20 2HB LYS 20 2.594 0.246 4.723
54 HG2 LYS 20 1HG LYS 20 3.872 -1.801 5.197
55 HG3 LYS 20 2HG LYS 20 5.255 -1.148 4.309
56 HD2 LYS 20 1HD LYS 20 5.374 0.752 5.894
57 HD3 LYS 20 2HD LYS 20 3.996 0.089 6.785
58 HE2 LYS 20 1HE LYS 20 5.293 -1.962 7.266
59 HE3 LYS 20 2HE LYS 20 6.668 -1.303 6.377
60 HZ1 LYS 20 1HZ LYS 20 6.895 -0.965 8.726
61 HZ2 LYS 20 2HZ LYS 20 6.762 0.492 7.965
62 HZ3 LYS 20 3HZ LYS 20 5.478 -0.123 8.797
63 H MET 21 H MET 21 3.074 1.511 1.455
64 HA MET 21 HA MET 21 0.303 2.275 1.604
65 HB2 MET 21 1HB MET 21 2.613 3.163 -0.154
66 HB3 MET 21 2HB MET 21 1.003 3.851 -0.302
67 HG2 MET 21 1HG MET 21 2.793 3.951 2.139
68 HG3 MET 21 2HG MET 21 2.388 5.286 1.059
69 HE1 MET 21 1HE MET 21 -1.447 5.775 1.782
70 HE2 MET 21 2HE MET 21 -0.037 6.357 0.862
71 HE3 MET 21 3HE MET 21 -0.723 4.749 0.519
72 H ALA 22 H ALA 22 2.230 0.494 -0.771
73 HA ALA 22 HA ALA 22 0.240 0.269 -2.779
74 HB1 ALA 22 1HB ALA 22 1.471 -1.756 -3.489
75 HB2 ALA 22 2HB ALA 22 2.573 -0.404 -3.134
76 HB3 ALA 22 3HB ALA 22 2.382 -1.727 -1.961
77 H ASP 23 H ASP 23 0.889 -1.759 0.079
78 HA ASP 23 HA ASP 23 -1.300 -3.561 -0.398
79 HB2 ASP 23 1HB ASP 23 0.302 -2.837 2.076
80 HB3 ASP 23 2HB ASP 23 -1.028 -3.987 2.135
81 H TRP 24 H TRP 24 -0.986 -0.478 1.309
82 HA TRP 24 HA TRP 24 -3.563 -0.417 2.501
83 HB2 TRP 24 1HB TRP 24 -1.750 1.220 2.978
84 HB3 TRP 24 2HB TRP 24 -1.939 1.895 1.366
85 HD1 TRP 24 1HD TRP 24 -3.712 1.729 4.775
86 HE1 TRP 24 1HE TRP 24 -5.499 3.595 4.887
87 HE3 TRP 24 3HE TRP 24 -3.466 3.346 -0.086
88 HZ2 TRP 24 2HZ TRP 24 -6.633 5.493 3.129
89 HZ3 TRP 24 3HZ TRP 24 -4.932 5.191 -0.807
90 HH2 TRP 24 2HH TRP 24 -6.489 6.253 0.771
91 H PHE 25 H PHE 25 -2.461 0.647 -0.724
92 HA PHE 25 HA PHE 25 -5.023 1.485 -1.663
93 HB2 PHE 25 1HB PHE 25 -2.499 0.531 -3.037
94 HB3 PHE 25 2HB PHE 25 -3.948 0.886 -3.963
95 HD1 PHE 25 1HD PHE 25 -0.959 2.212 -2.784
96 HD2 PHE 25 2HD PHE 25 -5.071 3.241 -3.318
97 HE1 PHE 25 1HE PHE 25 -0.355 4.610 -2.802
98 HE2 PHE 25 2HE PHE 25 -4.471 5.638 -3.340
99 HZ PHE 25 HZ PHE 25 -2.111 6.323 -3.080
100 H ARG 26 H ARG 26 -3.385 -1.667 -1.675
101 HA ARG 26 HA ARG 26 -5.377 -3.049 -3.195
102 HB2 ARG 26 1HB ARG 26 -3.361 -3.995 -1.138
103 HB3 ARG 26 2HB ARG 26 -4.424 -5.093 -2.004
104 HG2 ARG 26 1HG ARG 26 -3.423 -4.530 -4.110
105 HG3 ARG 26 2HG ARG 26 -2.491 -3.207 -3.370
106 HD2 ARG 26 1HD ARG 26 -1.231 -4.767 -2.065
107 HD3 ARG 26 2HD ARG 26 -2.227 -6.117 -2.654
108 HE ARG 26 HE ARG 26 -1.304 -5.160 -4.966
109 HH11 ARG 26 1HH1 ARG 26 0.370 -5.738 -1.932
110 HH12 ARG 26 1HH2 ARG 26 1.905 -6.080 -2.700
111 HH21 ARG 26 2HH1 ARG 26 0.693 -5.606 -5.951
112 HH22 ARG 26 2HH2 ARG 26 2.088 -6.006 -4.974
113 H GLN 27 H GLN 27 -5.087 -2.227 0.224
114 HA GLN 27 HA GLN 27 -7.264 -3.812 1.174
115 HB2 GLN 27 1HB GLN 27 -5.609 -2.664 2.646
116 HB3 GLN 27 2HB GLN 27 -6.287 -1.109 2.183
117 HG2 GLN 27 1HG GLN 27 -8.412 -1.678 3.205
118 HG3 GLN 27 2HG GLN 27 -7.804 -3.311 3.598
119 HE21 GLN 27 2HE1 GLN 27 -7.405 -0.463 6.283
120 HE22 GLN 27 2HE2 GLN 27 -8.588 -0.543 5.020
121 H THR 28 H THR 28 -7.117 -0.626 -0.358
122 HA THR 28 HA THR 28 -9.974 -0.158 0.169
123 HB THR 28 HB THR 28 -9.607 2.014 -0.945
124 HG1 THR 28 1HG THR 28 -7.378 0.692 -1.874
125 HG21 THR 28 2HG1 THR 28 -7.942 2.939 0.618
126 HG22 THR 28 2HG2 THR 28 -9.022 1.790 1.445
127 HG23 THR 28 2HG3 THR 28 -7.374 1.296 0.993
128 H LEU 29 H LEU 29 -7.960 -1.417 -2.350
129 HA LEU 29 HA LEU 29 -10.097 -0.948 -4.369
130 HB2 LEU 29 1HB LEU 29 -7.175 -1.721 -4.688
131 HB3 LEU 29 2HB LEU 29 -8.319 -1.547 -6.021
132 HG LEU 29 HG LEU 29 -7.461 0.687 -4.148
133 HD11 LEU 29 1HD1 LEU 29 -6.224 1.516 -6.099
134 HD12 LEU 29 1HD2 LEU 29 -5.640 -0.083 -5.581
135 HD13 LEU 29 1HD3 LEU 29 -6.690 0.062 -7.012
136 HD21 LEU 29 2HD1 LEU 29 -8.639 2.121 -5.779
137 HD22 LEU 29 2HD2 LEU 29 -9.140 0.675 -6.690
138 HD23 LEU 29 2HD3 LEU 29 -9.752 0.945 -5.040
139 H LEU 30 H LEU 30 -7.984 -3.480 -3.017
140 HA LEU 30 HA LEU 30 -9.579 -5.495 -4.531
141 HB2 LEU 30 1HB LEU 30 -6.792 -5.703 -3.337
142 HB3 LEU 30 2HB LEU 30 -7.632 -6.990 -4.208
143 HG LEU 30 HG LEU 30 -6.754 -4.332 -5.393
144 HD11 LEU 30 1HD1 LEU 30 -5.120 -5.708 -6.603
145 HD12 LEU 30 1HD2 LEU 30 -4.884 -5.803 -4.842
146 HD13 LEU 30 1HD3 LEU 30 -5.669 -7.145 -5.707
147 HD21 LEU 30 2HD1 LEU 30 -7.429 -5.374 -7.530
148 HD22 LEU 30 2HD2 LEU 30 -8.009 -6.807 -6.650
149 HD23 LEU 30 2HD3 LEU 30 -8.813 -5.236 -6.422
150 H LYS 31 H LYS 31 -9.690 -4.109 -1.650
151 HA LYS 31 HA LYS 31 -10.326 -4.734 0.473
152 HB2 LYS 31 1HB LYS 31 -11.379 -7.195 -0.982
153 HB3 LYS 31 2HB LYS 31 -11.819 -6.710 0.650
154 HG2 LYS 31 1HG LYS 31 -12.786 -4.607 -0.257
155 HG3 LYS 31 2HG LYS 31 -12.395 -5.160 -1.891
156 HD2 LYS 31 1HD LYS 31 -13.812 -7.170 -1.534
157 HD3 LYS 31 2HD LYS 31 -14.225 -6.579 0.082
158 HE2 LYS 31 1HE LYS 31 -15.239 -4.560 -0.903
159 HE3 LYS 31 2HE LYS 31 -14.802 -5.115 -2.521
160 HZ1 LYS 31 1HZ LYS 31 -17.072 -5.625 -1.996
161 HZ2 LYS 31 2HZ LYS 31 -16.217 -7.024 -2.185
162 HZ3 LYS 31 3HZ LYS 31 -16.627 -6.504 -0.674
163 H LYS 32 H LYS 32 -7.660 -5.258 -0.157
164 HA LYS 32 HA LYS 32 -7.195 -7.755 1.419
165 HB2 LYS 32 1HB LYS 32 -5.351 -6.306 -0.524
166 HB3 LYS 32 2HB LYS 32 -4.879 -7.684 0.461
167 HG2 LYS 32 1HG LYS 32 -6.590 -9.071 -0.677
168 HG3 LYS 32 2HG LYS 32 -7.018 -7.683 -1.688
169 HD2 LYS 32 1HD LYS 32 -4.706 -7.601 -2.562
170 HD3 LYS 32 2HD LYS 32 -4.273 -8.985 -1.548
171 HE2 LYS 32 1HE LYS 32 -5.994 -10.352 -2.724
172 HE3 LYS 32 2HE LYS 32 -6.348 -8.975 -3.770
173 HZ1 LYS 32 1HZ LYS 32 -4.827 -10.495 -4.799
174 HZ2 LYS 32 2HZ LYS 32 -4.077 -9.049 -4.540
175 HZ3 LYS 32 3HZ LYS 32 -3.747 -10.337 -3.564
176 HA PRO 33 HA PRO 33 -6.495 -4.706 4.568
177 HB2 PRO 33 1HB PRO 33 -5.668 -7.300 5.945
178 HB3 PRO 33 2HB PRO 33 -6.627 -5.961 6.590
179 HG2 PRO 33 1HG PRO 33 -7.911 -8.139 5.769
180 HG3 PRO 33 2HG PRO 33 -8.562 -6.556 5.335
181 HD2 PRO 33 1HD PRO 33 -6.947 -8.497 3.644
182 HD3 PRO 33 2HD PRO 33 -8.358 -7.467 3.170
183 H LYS 34 H LYS 34 -4.676 -3.558 4.924
184 HA LYS 34 HA LYS 34 -2.153 -4.308 3.845
185 HB2 LYS 34 1HB LYS 34 -2.847 -1.961 4.265
186 HB3 LYS 34 2HB LYS 34 -2.775 -2.247 5.998
187 HG2 LYS 34 1HG LYS 34 -0.351 -2.688 5.829
188 HG3 LYS 34 2HG LYS 34 -0.426 -2.392 4.086
189 HD2 LYS 34 1HD LYS 34 0.319 -0.354 5.082
190 HD3 LYS 34 2HD LYS 34 -1.371 -0.093 4.626
191 HE2 LYS 34 1HE LYS 34 -2.099 -0.477 6.920
192 HE3 LYS 34 2HE LYS 34 -0.456 -0.902 7.409
193 HZ1 LYS 34 1HZ LYS 34 -0.993 1.349 7.986
194 HZ2 LYS 34 2HZ LYS 34 0.222 1.336 6.870
195 HZ3 LYS 34 3HZ LYS 34 -1.314 1.733 6.415
196 H LYS 35 H LYS 35 -0.554 -5.524 4.536
197 HA LYS 35 HA LYS 35 0.037 -5.827 7.366
198 HB2 LYS 35 1HB LYS 35 -1.866 -7.421 7.106
199 HB3 LYS 35 2HB LYS 35 -0.976 -8.261 5.843
200 HG2 LYS 35 1HG LYS 35 0.757 -8.907 7.436
201 HG3 LYS 35 2HG LYS 35 -0.041 -7.979 8.714
202 HD2 LYS 35 1HD LYS 35 -2.041 -9.420 8.518
203 HD3 LYS 35 2HD LYS 35 -1.251 -10.344 7.231
204 HE2 LYS 35 1HE LYS 35 0.544 -10.999 8.805
205 HE3 LYS 35 2HE LYS 35 -0.244 -10.077 10.089
206 HZ1 LYS 35 1HZ LYS 35 -0.787 -12.397 10.206
207 HZ2 LYS 35 2HZ LYS 35 -2.147 -11.523 9.879
208 HZ3 LYS 35 3HZ LYS 35 -1.411 -12.384 8.680
Start of MODEL 6
1 H1 LYS 15 1H LYS 15 8.680 -5.663 4.919
2 H2 LYS 15 2H LYS 15 9.942 -4.629 4.977
3 H3 LYS 15 3H LYS 15 8.575 -4.295 5.805
4 HA LYS 15 HA LYS 15 8.851 -4.425 2.909
5 HB2 LYS 15 1HB LYS 15 6.455 -3.827 4.686
6 HB3 LYS 15 2HB LYS 15 6.502 -3.479 2.963
7 HG2 LYS 15 1HG LYS 15 6.825 -5.881 2.485
8 HG3 LYS 15 2HG LYS 15 6.766 -6.226 4.219
9 HD2 LYS 15 1HD LYS 15 4.479 -5.363 4.352
10 HD3 LYS 15 2HD LYS 15 4.531 -4.892 2.647
11 HE2 LYS 15 1HE LYS 15 4.779 -7.241 1.978
12 HE3 LYS 15 2HE LYS 15 4.820 -7.742 3.670
13 HZ1 LYS 15 1HZ LYS 15 2.655 -8.037 2.715
14 HZ2 LYS 15 2HZ LYS 15 2.585 -6.904 3.912
15 HZ3 LYS 15 3HZ LYS 15 2.546 -6.437 2.331
16 H LYS 16 H LYS 16 8.875 -2.470 1.825
17 HA LYS 16 HA LYS 16 9.834 -0.182 3.385
18 HB2 LYS 16 1HB LYS 16 9.308 -0.551 0.411
19 HB3 LYS 16 2HB LYS 16 9.954 0.922 1.120
20 HG2 LYS 16 1HG LYS 16 11.914 -0.345 1.949
21 HG3 LYS 16 2HG LYS 16 11.268 -1.809 1.196
22 HD2 LYS 16 1HD LYS 16 11.347 -0.707 -1.019
23 HD3 LYS 16 2HD LYS 16 11.995 0.757 -0.264
24 HE2 LYS 16 1HE LYS 16 13.971 -0.509 0.507
25 HE3 LYS 16 2HE LYS 16 13.325 -1.978 -0.227
26 HZ1 LYS 16 1HZ LYS 16 14.929 -0.918 -1.638
27 HZ2 LYS 16 2HZ LYS 16 13.448 -0.894 -2.365
28 HZ3 LYS 16 3HZ LYS 16 14.053 0.479 -1.678
29 HA PRO 17 HA PRO 17 6.239 2.121 4.041
30 HB2 PRO 17 1HB PRO 17 7.633 4.351 2.500
31 HB3 PRO 17 2HB PRO 17 6.796 4.434 4.056
32 HG2 PRO 17 1HG PRO 17 9.451 4.352 4.069
33 HG3 PRO 17 2HG PRO 17 8.567 3.354 5.228
34 HD2 PRO 17 1HD PRO 17 9.874 2.548 2.602
35 HD3 PRO 17 2HD PRO 17 9.854 1.670 4.185
36 H LEU 18 H LEU 18 7.709 2.338 0.798
37 HA LEU 18 HA LEU 18 5.345 3.188 -0.581
38 HB2 LEU 18 1HB LEU 18 7.815 1.690 -1.517
39 HB3 LEU 18 2HB LEU 18 6.546 2.262 -2.606
40 HG LEU 18 HG LEU 18 8.231 4.058 -0.826
41 HD11 LEU 18 1HD1 LEU 18 9.371 4.675 -2.910
42 HD12 LEU 18 1HD2 LEU 18 9.584 2.950 -2.530
43 HD13 LEU 18 1HD3 LEU 18 8.428 3.448 -3.788
44 HD21 LEU 18 2HD1 LEU 18 7.259 5.846 -2.227
45 HD22 LEU 18 2HD2 LEU 18 6.286 4.636 -3.096
46 HD23 LEU 18 2HD3 LEU 18 5.988 4.943 -1.368
47 H GLY 19 H GLY 19 6.711 -0.011 0.149
48 HA2 GLY 19 1HA GLY 19 4.714 -1.511 -1.297
49 HA3 GLY 19 2HA GLY 19 5.790 -2.137 -0.063
50 H LYS 20 H LYS 20 4.988 -0.247 2.006
51 HA LYS 20 HA LYS 20 2.696 -1.587 3.080
52 HB2 LYS 20 1HB LYS 20 4.059 1.027 3.829
53 HB3 LYS 20 2HB LYS 20 2.725 0.340 4.745
54 HG2 LYS 20 1HG LYS 20 4.054 -1.664 5.229
55 HG3 LYS 20 2HG LYS 20 5.391 -1.021 4.263
56 HD2 LYS 20 1HD LYS 20 5.540 0.933 5.786
57 HD3 LYS 20 2HD LYS 20 4.222 0.263 6.760
58 HE2 LYS 20 1HE LYS 20 5.589 -1.743 7.232
59 HE3 LYS 20 2HE LYS 20 6.902 -1.084 6.254
60 HZ1 LYS 20 1HZ LYS 20 7.241 -0.672 8.578
61 HZ2 LYS 20 2HZ LYS 20 7.039 0.760 7.785
62 HZ3 LYS 20 3HZ LYS 20 5.812 0.143 8.699
63 H MET 21 H MET 21 3.094 1.554 1.454
64 HA MET 21 HA MET 21 0.316 2.278 1.629
65 HB2 MET 21 1HB MET 21 2.578 3.147 -0.200
66 HB3 MET 21 2HB MET 21 0.955 3.807 -0.335
67 HG2 MET 21 1HG MET 21 2.787 4.000 2.070
68 HG3 MET 21 2HG MET 21 2.354 5.298 0.956
69 HE1 MET 21 1HE MET 21 -1.476 5.770 1.722
70 HE2 MET 21 2HE MET 21 -0.088 6.336 0.761
71 HE3 MET 21 3HE MET 21 -0.761 4.711 0.483
72 H ALA 22 H ALA 22 2.225 0.471 -0.744
73 HA ALA 22 HA ALA 22 0.238 0.204 -2.736
74 HB1 ALA 22 1HB ALA 22 1.456 -1.842 -3.404
75 HB2 ALA 22 2HB ALA 22 2.568 -0.494 -3.069
76 HB3 ALA 22 3HB ALA 22 2.361 -1.794 -1.873
77 H ASP 23 H ASP 23 0.879 -1.812 0.137
78 HA ASP 23 HA ASP 23 -1.299 -3.616 -0.307
79 HB2 ASP 23 1HB ASP 23 0.243 -2.801 2.177
80 HB3 ASP 23 2HB ASP 23 -1.074 -3.964 2.241
81 H TRP 24 H TRP 24 -1.040 -0.506 1.375
82 HA TRP 24 HA TRP 24 -3.657 -0.458 2.484
83 HB2 TRP 24 1HB TRP 24 -1.827 1.167 3.020
84 HB3 TRP 24 2HB TRP 24 -2.024 1.884 1.428
85 HD1 TRP 24 1HD TRP 24 -3.776 1.620 4.838
86 HE1 TRP 24 1HE TRP 24 -5.591 3.455 4.999
87 HE3 TRP 24 3HE TRP 24 -3.596 3.333 0.007
88 HZ2 TRP 24 2HZ TRP 24 -6.769 5.366 3.287
89 HZ3 TRP 24 3HZ TRP 24 -5.095 5.166 -0.668
90 HH2 TRP 24 2HH TRP 24 -6.657 6.174 0.943
91 H PHE 25 H PHE 25 -2.435 0.583 -0.698
92 HA PHE 25 HA PHE 25 -4.977 1.506 -1.665
93 HB2 PHE 25 1HB PHE 25 -2.401 0.651 -3.009
94 HB3 PHE 25 2HB PHE 25 -3.821 1.066 -3.955
95 HD1 PHE 25 1HD PHE 25 -0.869 2.313 -2.630
96 HD2 PHE 25 2HD PHE 25 -4.973 3.371 -3.162
97 HE1 PHE 25 1HE PHE 25 -0.270 4.706 -2.472
98 HE2 PHE 25 2HE PHE 25 -4.378 5.766 -3.007
99 HZ PHE 25 HZ PHE 25 -2.025 6.433 -2.660
100 H ARG 26 H ARG 26 -3.338 -1.632 -1.703
101 HA ARG 26 HA ARG 26 -5.225 -2.968 -3.391
102 HB2 ARG 26 1HB ARG 26 -3.340 -3.962 -1.236
103 HB3 ARG 26 2HB ARG 26 -4.360 -5.044 -2.172
104 HG2 ARG 26 1HG ARG 26 -3.242 -4.481 -4.209
105 HG3 ARG 26 2HG ARG 26 -2.363 -3.147 -3.424
106 HD2 ARG 26 1HD ARG 26 -1.164 -4.697 -2.045
107 HD3 ARG 26 2HD ARG 26 -2.107 -6.056 -2.700
108 HE ARG 26 HE ARG 26 -1.065 -5.084 -4.948
109 HH11 ARG 26 1HH1 ARG 26 0.445 -5.623 -1.823
110 HH12 ARG 26 1HH2 ARG 26 2.028 -5.934 -2.500
111 HH21 ARG 26 2HH1 ARG 26 0.995 -5.490 -5.816
112 HH22 ARG 26 2HH2 ARG 26 2.340 -5.859 -4.761
113 H GLN 27 H GLN 27 -5.081 -2.408 0.116
114 HA GLN 27 HA GLN 27 -7.440 -3.882 0.779
115 HB2 GLN 27 1HB GLN 27 -5.781 -3.035 2.445
116 HB3 GLN 27 2HB GLN 27 -6.311 -1.391 2.117
117 HG2 GLN 27 1HG GLN 27 -8.534 -1.893 2.957
118 HG3 GLN 27 2HG GLN 27 -8.065 -3.597 3.215
119 HE21 GLN 27 2HE1 GLN 27 -7.553 -0.963 6.137
120 HE22 GLN 27 2HE2 GLN 27 -8.613 -0.776 4.780
121 H THR 28 H THR 28 -6.925 -0.529 -0.273
122 HA THR 28 HA THR 28 -9.671 0.262 0.098
123 HB THR 28 HB THR 28 -7.489 1.472 -1.656
124 HG1 THR 28 1HG THR 28 -6.932 1.591 0.508
125 HG21 THR 28 2HG1 THR 28 -8.890 3.499 -1.609
126 HG22 THR 28 2HG2 THR 28 -9.754 2.147 -2.377
127 HG23 THR 28 2HG3 THR 28 -10.143 2.618 -0.707
128 H LEU 29 H LEU 29 -7.834 -1.041 -2.650
129 HA LEU 29 HA LEU 29 -10.168 -0.488 -4.405
130 HB2 LEU 29 1HB LEU 29 -7.297 -1.224 -5.080
131 HB3 LEU 29 2HB LEU 29 -8.567 -0.882 -6.260
132 HG LEU 29 HG LEU 29 -7.463 1.109 -4.245
133 HD11 LEU 29 1HD1 LEU 29 -6.419 2.143 -6.211
134 HD12 LEU 29 1HD2 LEU 29 -5.825 0.487 -5.946
135 HD13 LEU 29 1HD3 LEU 29 -7.016 0.811 -7.228
136 HD21 LEU 29 2HD1 LEU 29 -8.771 2.737 -5.565
137 HD22 LEU 29 2HD2 LEU 29 -9.402 1.413 -6.575
138 HD23 LEU 29 2HD3 LEU 29 -9.829 1.497 -4.850
139 H LEU 30 H LEU 30 -7.968 -3.091 -3.390
140 HA LEU 30 HA LEU 30 -9.579 -5.001 -5.011
141 HB2 LEU 30 1HB LEU 30 -6.828 -5.312 -3.756
142 HB3 LEU 30 2HB LEU 30 -7.652 -6.531 -4.732
143 HG LEU 30 HG LEU 30 -6.721 -3.810 -5.717
144 HD11 LEU 30 1HD1 LEU 30 -5.060 -5.119 -6.962
145 HD12 LEU 30 1HD2 LEU 30 -4.878 -5.327 -5.205
146 HD13 LEU 30 1HD3 LEU 30 -5.643 -6.606 -6.178
147 HD21 LEU 30 2HD1 LEU 30 -7.337 -4.708 -7.936
148 HD22 LEU 30 2HD2 LEU 30 -7.953 -6.190 -7.166
149 HD23 LEU 30 2HD3 LEU 30 -8.754 -4.630 -6.861
150 H LYS 31 H LYS 31 -9.675 -3.796 -2.021
151 HA LYS 31 HA LYS 31 -10.375 -4.553 0.039
152 HB2 LYS 31 1HB LYS 31 -11.575 -6.795 -1.636
153 HB3 LYS 31 2HB LYS 31 -12.009 -6.423 0.026
154 HG2 LYS 31 1HG LYS 31 -12.804 -4.183 -0.704
155 HG3 LYS 31 2HG LYS 31 -12.427 -4.622 -2.375
156 HD2 LYS 31 1HD LYS 31 -13.991 -6.546 -2.210
157 HD3 LYS 31 2HD LYS 31 -14.389 -6.066 -0.553
158 HE2 LYS 31 1HE LYS 31 -15.237 -3.900 -1.372
159 HE3 LYS 31 2HE LYS 31 -14.813 -4.346 -3.026
160 HZ1 LYS 31 1HZ LYS 31 -17.123 -4.731 -2.574
161 HZ2 LYS 31 2HZ LYS 31 -16.367 -6.167 -2.873
162 HZ3 LYS 31 3HZ LYS 31 -16.765 -5.750 -1.327
163 H LYS 32 H LYS 32 -7.739 -5.287 -0.735
164 HA LYS 32 HA LYS 32 -7.459 -7.922 0.629
165 HB2 LYS 32 1HB LYS 32 -5.456 -6.284 -0.976
166 HB3 LYS 32 2HB LYS 32 -5.077 -7.792 -0.156
167 HG2 LYS 32 1HG LYS 32 -6.739 -8.967 -1.574
168 HG3 LYS 32 2HG LYS 32 -7.067 -7.448 -2.419
169 HD2 LYS 32 1HD LYS 32 -4.700 -7.324 -3.125
170 HD3 LYS 32 2HD LYS 32 -4.365 -8.838 -2.271
171 HE2 LYS 32 1HE LYS 32 -6.031 -9.992 -3.724
172 HE3 LYS 32 2HE LYS 32 -6.282 -8.483 -4.605
173 HZ1 LYS 32 1HZ LYS 32 -4.727 -9.907 -5.719
174 HZ2 LYS 32 2HZ LYS 32 -3.965 -8.528 -5.227
175 HZ3 LYS 32 3HZ LYS 32 -3.731 -9.939 -4.405
176 HA PRO 33 HA PRO 33 -6.848 -5.565 4.287
177 HB2 PRO 33 1HB PRO 33 -5.785 -8.296 5.133
178 HB3 PRO 33 2HB PRO 33 -6.848 -7.199 6.023
179 HG2 PRO 33 1HG PRO 33 -7.947 -9.277 4.783
180 HG3 PRO 33 2HG PRO 33 -8.739 -7.703 4.662
181 HD2 PRO 33 1HD PRO 33 -6.977 -9.127 2.637
182 HD3 PRO 33 2HD PRO 33 -8.479 -8.157 2.362
183 H LYS 34 H LYS 34 -5.141 -4.286 4.685
184 HA LYS 34 HA LYS 34 -2.504 -4.804 3.693
185 HB2 LYS 34 1HB LYS 34 -3.345 -2.523 4.103
186 HB3 LYS 34 2HB LYS 34 -3.456 -2.851 5.826
187 HG2 LYS 34 1HG LYS 34 -1.008 -3.134 5.937
188 HG3 LYS 34 2HG LYS 34 -0.896 -2.807 4.202
189 HD2 LYS 34 1HD LYS 34 -1.781 -0.560 4.513
190 HD3 LYS 34 2HD LYS 34 -2.091 -0.878 6.226
191 HE2 LYS 34 1HE LYS 34 0.353 -1.219 6.577
192 HE3 LYS 34 2HE LYS 34 0.636 -0.823 4.881
193 HZ1 LYS 34 1HZ LYS 34 0.971 1.068 6.295
194 HZ2 LYS 34 2HZ LYS 34 -0.307 1.345 5.290
195 HZ3 LYS 34 3HZ LYS 34 -0.570 0.975 6.876
196 H LYS 35 H LYS 35 -0.921 -6.000 4.433
197 HA LYS 35 HA LYS 35 -0.879 -6.645 7.345
198 HB2 LYS 35 1HB LYS 35 -0.488 -8.607 5.050
199 HB3 LYS 35 2HB LYS 35 -0.147 -8.968 6.737
200 HG2 LYS 35 1HG LYS 35 -2.535 -8.572 7.289
201 HG3 LYS 35 2HG LYS 35 -2.860 -8.272 5.575
202 HD2 LYS 35 1HD LYS 35 -2.045 -10.553 5.031
203 HD3 LYS 35 2HD LYS 35 -1.756 -10.850 6.751
204 HE2 LYS 35 1HE LYS 35 -4.164 -10.490 7.212
205 HE3 LYS 35 2HE LYS 35 -4.450 -10.211 5.493
206 HZ1 LYS 35 1HZ LYS 35 -4.962 -12.454 6.120
207 HZ2 LYS 35 2HZ LYS 35 -3.695 -12.448 5.065
208 HZ3 LYS 35 3HZ LYS 35 -3.429 -12.709 6.672
Start of MODEL 7
1 H1 LYS 15 1H LYS 15 8.618 -5.790 4.880
2 H2 LYS 15 2H LYS 15 9.869 -4.746 4.989
3 H3 LYS 15 3H LYS 15 8.486 -4.451 5.805
4 HA LYS 15 HA LYS 15 8.807 -4.489 2.911
5 HB2 LYS 15 1HB LYS 15 6.379 -3.974 4.671
6 HB3 LYS 15 2HB LYS 15 6.447 -3.565 2.962
7 HG2 LYS 15 1HG LYS 15 6.799 -5.943 2.402
8 HG3 LYS 15 2HG LYS 15 6.724 -6.353 4.122
9 HD2 LYS 15 1HD LYS 15 4.427 -5.535 4.261
10 HD3 LYS 15 2HD LYS 15 4.493 -4.975 2.583
11 HE2 LYS 15 1HE LYS 15 4.776 -7.281 1.795
12 HE3 LYS 15 2HE LYS 15 4.804 -7.870 3.460
13 HZ1 LYS 15 1HZ LYS 15 2.652 -8.138 2.463
14 HZ2 LYS 15 2HZ LYS 15 2.556 -7.070 3.718
15 HZ3 LYS 15 3HZ LYS 15 2.530 -6.522 2.162
16 H LYS 16 H LYS 16 8.853 -2.508 1.889
17 HA LYS 16 HA LYS 16 9.764 -0.262 3.535
18 HB2 LYS 16 1HB LYS 16 9.303 -0.547 0.540
19 HB3 LYS 16 2HB LYS 16 9.927 0.907 1.305
20 HG2 LYS 16 1HG LYS 16 11.874 -0.375 2.140
21 HG3 LYS 16 2HG LYS 16 11.250 -1.820 1.332
22 HD2 LYS 16 1HD LYS 16 11.374 -0.656 -0.849
23 HD3 LYS 16 2HD LYS 16 11.999 0.788 -0.040
24 HE2 LYS 16 1HE LYS 16 13.963 -0.492 0.739
25 HE3 LYS 16 2HE LYS 16 13.338 -1.942 -0.051
26 HZ1 LYS 16 1HZ LYS 16 14.969 -0.836 -1.397
27 HZ2 LYS 16 2HZ LYS 16 13.504 -0.796 -2.154
28 HZ3 LYS 16 3HZ LYS 16 14.089 0.558 -1.415
29 HA PRO 17 HA PRO 17 6.147 2.017 4.173
30 HB2 PRO 17 1HB PRO 17 7.567 4.287 2.717
31 HB3 PRO 17 2HB PRO 17 6.697 4.329 4.256
32 HG2 PRO 17 1HG PRO 17 9.352 4.255 4.324
33 HG3 PRO 17 2HG PRO 17 8.447 3.227 5.439
34 HD2 PRO 17 1HD PRO 17 9.810 2.488 2.821
35 HD3 PRO 17 2HD PRO 17 9.761 1.572 4.382
36 H LEU 18 H LEU 18 7.685 2.324 0.968
37 HA LEU 18 HA LEU 18 5.348 3.199 -0.439
38 HB2 LEU 18 1HB LEU 18 7.843 1.736 -1.360
39 HB3 LEU 18 2HB LEU 18 6.597 2.331 -2.461
40 HG LEU 18 HG LEU 18 8.237 4.086 -0.598
41 HD11 LEU 18 1HD1 LEU 18 9.416 4.762 -2.642
42 HD12 LEU 18 1HD2 LEU 18 9.629 3.028 -2.305
43 HD13 LEU 18 1HD3 LEU 18 8.495 3.557 -3.573
44 HD21 LEU 18 2HD1 LEU 18 7.285 5.908 -1.970
45 HD22 LEU 18 2HD2 LEU 18 6.335 4.718 -2.892
46 HD23 LEU 18 2HD3 LEU 18 6.001 4.976 -1.162
47 H GLY 19 H GLY 19 6.713 -0.013 0.236
48 HA2 GLY 19 1HA GLY 19 4.757 -1.488 -1.285
49 HA3 GLY 19 2HA GLY 19 5.799 -2.135 -0.031
50 H LYS 20 H LYS 20 4.939 -0.298 2.054
51 HA LYS 20 HA LYS 20 2.612 -1.653 3.028
52 HB2 LYS 20 1HB LYS 20 3.962 0.934 3.882
53 HB3 LYS 20 2HB LYS 20 2.601 0.230 4.742
54 HG2 LYS 20 1HG LYS 20 3.910 -1.791 5.210
55 HG3 LYS 20 2HG LYS 20 5.276 -1.129 4.299
56 HD2 LYS 20 1HD LYS 20 5.386 0.785 5.876
57 HD3 LYS 20 2HD LYS 20 4.042 0.093 6.797
58 HE2 LYS 20 1HE LYS 20 5.391 -1.927 7.253
59 HE3 LYS 20 2HE LYS 20 6.731 -1.248 6.327
60 HZ1 LYS 20 1HZ LYS 20 7.010 -0.896 8.669
61 HZ2 LYS 20 2HZ LYS 20 6.833 0.556 7.906
62 HZ3 LYS 20 3HZ LYS 20 5.580 -0.079 8.772
63 H MET 21 H MET 21 3.074 1.505 1.459
64 HA MET 21 HA MET 21 0.304 2.267 1.606
65 HB2 MET 21 1HB MET 21 2.606 3.133 -0.174
66 HB3 MET 21 2HB MET 21 0.995 3.818 -0.325
67 HG2 MET 21 1HG MET 21 2.793 3.948 2.111
68 HG3 MET 21 2HG MET 21 2.391 5.269 1.012
69 HE1 MET 21 1HE MET 21 -1.438 5.787 1.734
70 HE2 MET 21 2HE MET 21 -0.027 6.352 0.808
71 HE3 MET 21 3HE MET 21 -0.721 4.745 0.483
72 H ALA 22 H ALA 22 2.224 0.472 -0.770
73 HA ALA 22 HA ALA 22 0.238 0.234 -2.773
74 HB1 ALA 22 1HB ALA 22 1.459 -1.804 -3.462
75 HB2 ALA 22 2HB ALA 22 2.568 -0.457 -3.114
76 HB3 ALA 22 3HB ALA 22 2.364 -1.770 -1.932
77 H ASP 23 H ASP 23 0.876 -1.800 0.088
78 HA ASP 23 HA ASP 23 -1.327 -3.582 -0.380
79 HB2 ASP 23 1HB ASP 23 0.276 -2.858 2.092
80 HB3 ASP 23 2HB ASP 23 -1.061 -3.998 2.156
81 H TRP 24 H TRP 24 -0.999 -0.492 1.309
82 HA TRP 24 HA TRP 24 -3.583 -0.422 2.495
83 HB2 TRP 24 1HB TRP 24 -1.749 1.195 2.989
84 HB3 TRP 24 2HB TRP 24 -1.940 1.890 1.386
85 HD1 TRP 24 1HD TRP 24 -3.745 1.649 4.784
86 HE1 TRP 24 1HE TRP 24 -5.506 3.536 4.933
87 HE3 TRP 24 3HE TRP 24 -3.407 3.423 -0.016
88 HZ2 TRP 24 2HZ TRP 24 -6.586 5.508 3.226
89 HZ3 TRP 24 3HZ TRP 24 -4.834 5.312 -0.695
90 HH2 TRP 24 2HH TRP 24 -6.399 6.344 0.896
91 H PHE 25 H PHE 25 -2.444 0.593 -0.728
92 HA PHE 25 HA PHE 25 -5.007 1.494 -1.651
93 HB2 PHE 25 1HB PHE 25 -2.469 0.592 -3.035
94 HB3 PHE 25 2HB PHE 25 -3.913 0.972 -3.959
95 HD1 PHE 25 1HD PHE 25 -0.938 2.268 -2.699
96 HD2 PHE 25 2HD PHE 25 -5.045 3.302 -3.269
97 HE1 PHE 25 1HE PHE 25 -0.342 4.666 -2.639
98 HE2 PHE 25 2HE PHE 25 -4.452 5.701 -3.212
99 HZ PHE 25 HZ PHE 25 -2.099 6.383 -2.896
100 H ARG 26 H ARG 26 -3.385 -1.655 -1.653
101 HA ARG 26 HA ARG 26 -5.347 -3.020 -3.236
102 HB2 ARG 26 1HB ARG 26 -3.378 -3.980 -1.141
103 HB3 ARG 26 2HB ARG 26 -4.434 -5.073 -2.022
104 HG2 ARG 26 1HG ARG 26 -3.397 -4.519 -4.113
105 HG3 ARG 26 2HG ARG 26 -2.462 -3.206 -3.359
106 HD2 ARG 26 1HD ARG 26 -1.235 -4.775 -2.038
107 HD3 ARG 26 2HD ARG 26 -2.241 -6.116 -2.631
108 HE ARG 26 HE ARG 26 -1.280 -5.181 -4.937
109 HH11 ARG 26 1HH1 ARG 26 0.350 -5.774 -1.882
110 HH12 ARG 26 1HH2 ARG 26 1.887 -6.143 -2.631
111 HH21 ARG 26 2HH1 ARG 26 0.721 -5.662 -5.897
112 HH22 ARG 26 2HH2 ARG 26 2.098 -6.081 -4.903
113 H GLN 27 H GLN 27 -5.070 -2.327 0.232
114 HA GLN 27 HA GLN 27 -7.368 -3.795 1.072
115 HB2 GLN 27 1HB GLN 27 -5.692 -2.812 2.628
116 HB3 GLN 27 2HB GLN 27 -6.237 -1.199 2.193
117 HG2 GLN 27 1HG GLN 27 -8.437 -1.644 3.128
118 HG3 GLN 27 2HG GLN 27 -7.949 -3.321 3.505
119 HE21 GLN 27 2HE1 GLN 27 -7.504 -0.634 6.308
120 HE22 GLN 27 2HE2 GLN 27 -8.682 -0.662 5.038
121 H THR 28 H THR 28 -6.988 -0.485 -0.174
122 HA THR 28 HA THR 28 -9.757 0.220 0.199
123 HB THR 28 HB THR 28 -7.647 1.416 -1.648
124 HG1 THR 28 1HG THR 28 -7.056 1.697 0.482
125 HG21 THR 28 2HG1 THR 28 -9.124 3.387 -1.694
126 HG22 THR 28 2HG2 THR 28 -9.942 1.962 -2.377
127 HG23 THR 28 2HG3 THR 28 -10.333 2.509 -0.729
128 H LEU 29 H LEU 29 -7.911 -1.165 -2.503
129 HA LEU 29 HA LEU 29 -10.263 -0.738 -4.266
130 HB2 LEU 29 1HB LEU 29 -7.390 -1.489 -4.910
131 HB3 LEU 29 2HB LEU 29 -8.665 -1.232 -6.104
132 HG LEU 29 HG LEU 29 -7.582 0.887 -4.214
133 HD11 LEU 29 1HD1 LEU 29 -6.548 1.813 -6.239
134 HD12 LEU 29 1HD2 LEU 29 -5.936 0.183 -5.875
135 HD13 LEU 29 1HD3 LEU 29 -7.130 0.415 -7.174
136 HD21 LEU 29 2HD1 LEU 29 -8.908 2.418 -5.630
137 HD22 LEU 29 2HD2 LEU 29 -9.522 1.029 -6.558
138 HD23 LEU 29 2HD3 LEU 29 -9.951 1.213 -4.840
139 H LEU 30 H LEU 30 -8.037 -3.276 -3.141
140 HA LEU 30 HA LEU 30 -9.644 -5.268 -4.665
141 HB2 LEU 30 1HB LEU 30 -6.862 -5.484 -3.459
142 HB3 LEU 30 2HB LEU 30 -7.687 -6.758 -4.363
143 HG LEU 30 HG LEU 30 -6.813 -4.070 -5.480
144 HD11 LEU 30 1HD1 LEU 30 -5.180 -5.416 -6.724
145 HD12 LEU 30 1HD2 LEU 30 -4.947 -5.559 -4.966
146 HD13 LEU 30 1HD3 LEU 30 -5.733 -6.876 -5.869
147 HD21 LEU 30 2HD1 LEU 30 -7.487 -5.052 -7.646
148 HD22 LEU 30 2HD2 LEU 30 -8.073 -6.507 -6.804
149 HD23 LEU 30 2HD3 LEU 30 -8.873 -4.940 -6.534
150 H LYS 31 H LYS 31 -9.753 -3.954 -1.741
151 HA LYS 31 HA LYS 31 -10.413 -4.638 0.357
152 HB2 LYS 31 1HB LYS 31 -11.499 -7.026 -1.190
153 HB3 LYS 31 2HB LYS 31 -11.945 -6.591 0.454
154 HG2 LYS 31 1HG LYS 31 -12.864 -4.438 -0.386
155 HG3 LYS 31 2HG LYS 31 -12.470 -4.942 -2.035
156 HD2 LYS 31 1HD LYS 31 -13.927 -6.936 -1.762
157 HD3 LYS 31 2HD LYS 31 -14.342 -6.394 -0.129
158 HE2 LYS 31 1HE LYS 31 -15.310 -4.322 -1.050
159 HE3 LYS 31 2HE LYS 31 -14.869 -4.828 -2.682
160 HZ1 LYS 31 1HZ LYS 31 -17.153 -5.314 -2.195
161 HZ2 LYS 31 2HZ LYS 31 -16.322 -6.721 -2.425
162 HZ3 LYS 31 3HZ LYS 31 -16.736 -6.247 -0.900
163 H LYS 32 H LYS 32 -7.750 -5.209 -0.297
164 HA LYS 32 HA LYS 32 -7.350 -7.743 1.238
165 HB2 LYS 32 1HB LYS 32 -5.461 -6.301 -0.666
166 HB3 LYS 32 2HB LYS 32 -5.030 -7.711 0.291
167 HG2 LYS 32 1HG LYS 32 -6.763 -9.031 -0.886
168 HG3 LYS 32 2HG LYS 32 -7.159 -7.612 -1.865
169 HD2 LYS 32 1HD LYS 32 -4.837 -7.560 -2.726
170 HD3 LYS 32 2HD LYS 32 -4.446 -8.983 -1.749
171 HE2 LYS 32 1HE LYS 32 -6.193 -10.272 -2.971
172 HE3 LYS 32 2HE LYS 32 -6.513 -8.857 -3.977
173 HZ1 LYS 32 1HZ LYS 32 -5.025 -10.382 -5.048
174 HZ2 LYS 32 2HZ LYS 32 -4.242 -8.962 -4.745
175 HZ3 LYS 32 3HZ LYS 32 -3.945 -10.285 -3.807
176 HA PRO 33 HA PRO 33 -6.607 -4.755 4.438
177 HB2 PRO 33 1HB PRO 33 -5.862 -7.390 5.785
178 HB3 PRO 33 2HB PRO 33 -6.790 -6.034 6.441
179 HG2 PRO 33 1HG PRO 33 -8.125 -8.165 5.578
180 HG3 PRO 33 2HG PRO 33 -8.730 -6.559 5.161
181 HD2 PRO 33 1HD PRO 33 -7.155 -8.517 3.456
182 HD3 PRO 33 2HD PRO 33 -8.530 -7.441 2.985
183 H LYS 34 H LYS 34 -4.763 -3.657 4.818
184 HA LYS 34 HA LYS 34 -2.239 -4.470 3.789
185 HB2 LYS 34 1HB LYS 34 -2.872 -2.107 4.210
186 HB3 LYS 34 2HB LYS 34 -2.856 -2.407 5.943
187 HG2 LYS 34 1HG LYS 34 -0.443 -2.912 5.841
188 HG3 LYS 34 2HG LYS 34 -0.459 -2.613 4.097
189 HD2 LYS 34 1HD LYS 34 0.318 -0.600 5.125
190 HD3 LYS 34 2HD LYS 34 -1.345 -0.287 4.605
191 HE2 LYS 34 1HE LYS 34 -2.171 -0.646 6.871
192 HE3 LYS 34 2HE LYS 34 -0.563 -1.123 7.422
193 HZ1 LYS 34 1HZ LYS 34 -1.050 1.145 7.979
194 HZ2 LYS 34 2HZ LYS 34 0.205 1.093 6.910
195 HZ3 LYS 34 3HZ LYS 34 -1.298 1.538 6.397
196 H LYS 35 H LYS 35 -0.909 -5.972 4.449
197 HA LYS 35 HA LYS 35 -0.598 -6.385 7.384
198 HB2 LYS 35 1HB LYS 35 -0.882 -8.562 5.276
199 HB3 LYS 35 2HB LYS 35 -0.361 -8.848 6.931
200 HG2 LYS 35 1HG LYS 35 -2.538 -7.969 7.747
201 HG3 LYS 35 2HG LYS 35 -3.057 -7.763 6.068
202 HD2 LYS 35 1HD LYS 35 -2.732 -10.193 5.678
203 HD3 LYS 35 2HD LYS 35 -2.242 -10.390 7.368
204 HE2 LYS 35 1HE LYS 35 -4.459 -9.546 8.098
205 HE3 LYS 35 2HE LYS 35 -4.948 -9.388 6.410
206 HZ1 LYS 35 1HZ LYS 35 -5.726 -11.429 7.366
207 HZ2 LYS 35 2HZ LYS 35 -4.647 -11.755 6.161
208 HZ3 LYS 35 3HZ LYS 35 -4.192 -11.903 7.739
Start of MODEL 8
1 H1 LYS 15 1H LYS 15 9.632 -5.715 4.644
2 H2 LYS 15 2H LYS 15 10.670 -4.462 4.511
3 H3 LYS 15 3H LYS 15 9.514 -4.445 5.663
4 HA LYS 15 HA LYS 15 9.085 -4.357 2.784
5 HB2 LYS 15 1HB LYS 15 7.306 -5.586 4.014
6 HB3 LYS 15 2HB LYS 15 7.089 -4.204 5.079
7 HG2 LYS 15 1HG LYS 15 6.327 -2.830 3.212
8 HG3 LYS 15 2HG LYS 15 6.639 -4.155 2.081
9 HD2 LYS 15 1HD LYS 15 4.737 -4.395 4.436
10 HD3 LYS 15 2HD LYS 15 4.224 -3.887 2.821
11 HE2 LYS 15 1HE LYS 15 5.109 -6.017 1.890
12 HE3 LYS 15 2HE LYS 15 5.561 -6.527 3.519
13 HZ1 LYS 15 1HZ LYS 15 3.457 -7.437 2.862
14 HZ2 LYS 15 2HZ LYS 15 3.246 -6.410 4.136
15 HZ3 LYS 15 3HZ LYS 15 2.823 -5.935 2.614
16 H LYS 16 H LYS 16 9.145 -2.427 1.886
17 HA LYS 16 HA LYS 16 9.864 -0.136 3.548
18 HB2 LYS 16 1HB LYS 16 9.410 -0.427 0.553
19 HB3 LYS 16 2HB LYS 16 9.929 1.064 1.326
20 HG2 LYS 16 1HG LYS 16 11.969 -0.079 2.145
21 HG3 LYS 16 2HG LYS 16 11.450 -1.560 1.327
22 HD2 LYS 16 1HD LYS 16 11.477 -0.370 -0.845
23 HD3 LYS 16 2HD LYS 16 11.999 1.109 -0.025
24 HE2 LYS 16 1HE LYS 16 14.054 -0.031 0.735
25 HE3 LYS 16 2HE LYS 16 13.534 -1.516 -0.064
26 HZ1 LYS 16 1HZ LYS 16 15.073 -0.285 -1.407
27 HZ2 LYS 16 2HZ LYS 16 13.606 -0.346 -2.158
28 HZ3 LYS 16 3HZ LYS 16 14.093 1.041 -1.412
29 HA PRO 17 HA PRO 17 6.070 1.845 4.212
30 HB2 PRO 17 1HB PRO 17 7.364 4.270 2.901
31 HB3 PRO 17 2HB PRO 17 6.476 4.176 4.427
32 HG2 PRO 17 1HG PRO 17 9.129 4.273 4.528
33 HG3 PRO 17 2HG PRO 17 8.282 3.134 5.578
34 HD2 PRO 17 1HD PRO 17 9.711 2.615 2.943
35 HD3 PRO 17 2HD PRO 17 9.721 1.629 4.460
36 H LEU 18 H LEU 18 7.668 2.332 1.067
37 HA LEU 18 HA LEU 18 5.370 3.192 -0.391
38 HB2 LEU 18 1HB LEU 18 7.888 1.737 -1.262
39 HB3 LEU 18 2HB LEU 18 6.671 2.343 -2.389
40 HG LEU 18 HG LEU 18 8.256 4.080 -0.465
41 HD11 LEU 18 1HD1 LEU 18 9.497 4.774 -2.467
42 HD12 LEU 18 1HD2 LEU 18 9.700 3.037 -2.135
43 HD13 LEU 18 1HD3 LEU 18 8.607 3.574 -3.434
44 HD21 LEU 18 2HD1 LEU 18 7.346 5.913 -1.853
45 HD22 LEU 18 2HD2 LEU 18 6.425 4.729 -2.812
46 HD23 LEU 18 2HD3 LEU 18 6.038 4.975 -1.091
47 H GLY 19 H GLY 19 6.721 -0.035 0.261
48 HA2 GLY 19 1HA GLY 19 4.776 -1.485 -1.294
49 HA3 GLY 19 2HA GLY 19 5.800 -2.149 -0.034
50 H LYS 20 H LYS 20 4.934 -0.346 2.067
51 HA LYS 20 HA LYS 20 2.586 -1.699 2.993
52 HB2 LYS 20 1HB LYS 20 3.947 0.862 3.910
53 HB3 LYS 20 2HB LYS 20 2.577 0.144 4.746
54 HG2 LYS 20 1HG LYS 20 3.879 -1.895 5.172
55 HG3 LYS 20 2HG LYS 20 5.253 -1.210 4.294
56 HD2 LYS 20 1HD LYS 20 5.343 0.664 5.923
57 HD3 LYS 20 2HD LYS 20 3.992 -0.056 6.810
58 HE2 LYS 20 1HE LYS 20 5.340 -2.084 7.226
59 HE3 LYS 20 2HE LYS 20 6.687 -1.379 6.331
60 HZ1 LYS 20 1HZ LYS 20 6.944 -1.090 8.685
61 HZ2 LYS 20 2HZ LYS 20 6.772 0.381 7.958
62 HZ3 LYS 20 3HZ LYS 20 5.513 -0.278 8.796
63 H MET 21 H MET 21 3.093 1.461 1.453
64 HA MET 21 HA MET 21 0.334 2.267 1.618
65 HB2 MET 21 1HB MET 21 2.646 3.121 -0.154
66 HB3 MET 21 2HB MET 21 1.045 3.833 -0.291
67 HG2 MET 21 1HG MET 21 2.850 3.900 2.142
68 HG3 MET 21 2HG MET 21 2.469 5.243 1.062
69 HE1 MET 21 1HE MET 21 -1.345 5.829 1.800
70 HE2 MET 21 2HE MET 21 0.079 6.381 0.884
71 HE3 MET 21 3HE MET 21 -0.649 4.795 0.529
72 H ALA 22 H ALA 22 2.228 0.486 -0.791
73 HA ALA 22 HA ALA 22 0.215 0.266 -2.771
74 HB1 ALA 22 1HB ALA 22 1.423 -1.767 -3.491
75 HB2 ALA 22 2HB ALA 22 2.539 -0.423 -3.150
76 HB3 ALA 22 3HB ALA 22 2.350 -1.744 -1.973
77 H ASP 23 H ASP 23 0.879 -1.763 0.084
78 HA ASP 23 HA ASP 23 -1.313 -3.562 -0.367
79 HB2 ASP 23 1HB ASP 23 0.266 -2.802 2.114
80 HB3 ASP 23 2HB ASP 23 -1.041 -3.978 2.158
81 H TRP 24 H TRP 24 -1.005 -0.461 1.309
82 HA TRP 24 HA TRP 24 -3.586 -0.400 2.496
83 HB2 TRP 24 1HB TRP 24 -1.792 1.236 2.998
84 HB3 TRP 24 2HB TRP 24 -1.935 1.900 1.377
85 HD1 TRP 24 1HD TRP 24 -3.965 1.621 4.665
86 HE1 TRP 24 1HE TRP 24 -5.673 3.562 4.749
87 HE3 TRP 24 3HE TRP 24 -3.178 3.564 -0.015
88 HZ2 TRP 24 2HZ TRP 24 -6.547 5.632 3.041
89 HZ3 TRP 24 3HZ TRP 24 -4.485 5.525 -0.730
90 HH2 TRP 24 2HH TRP 24 -6.143 6.550 0.769
91 H PHE 25 H PHE 25 -2.466 0.621 -0.734
92 HA PHE 25 HA PHE 25 -5.038 1.468 -1.669
93 HB2 PHE 25 1HB PHE 25 -2.485 0.580 -3.031
94 HB3 PHE 25 2HB PHE 25 -3.934 0.901 -3.971
95 HD1 PHE 25 1HD PHE 25 -1.007 2.305 -2.666
96 HD2 PHE 25 2HD PHE 25 -5.112 3.218 -3.418
97 HE1 PHE 25 1HE PHE 25 -0.469 4.718 -2.669
98 HE2 PHE 25 2HE PHE 25 -4.577 5.631 -3.425
99 HZ PHE 25 HZ PHE 25 -2.254 6.381 -3.049
100 H ARG 26 H ARG 26 -3.385 -1.664 -1.625
101 HA ARG 26 HA ARG 26 -5.329 -3.060 -3.209
102 HB2 ARG 26 1HB ARG 26 -3.331 -3.987 -1.128
103 HB3 ARG 26 2HB ARG 26 -4.376 -5.098 -2.000
104 HG2 ARG 26 1HG ARG 26 -3.362 -4.531 -4.098
105 HG3 ARG 26 2HG ARG 26 -2.446 -3.199 -3.354
106 HD2 ARG 26 1HD ARG 26 -1.183 -4.743 -2.038
107 HD3 ARG 26 2HD ARG 26 -2.167 -6.104 -2.624
108 HE ARG 26 HE ARG 26 -1.236 -5.154 -4.937
109 HH11 ARG 26 1HH1 ARG 26 0.424 -5.703 -1.889
110 HH12 ARG 26 1HH2 ARG 26 1.965 -6.039 -2.646
111 HH21 ARG 26 2HH1 ARG 26 0.769 -5.593 -5.907
112 HH22 ARG 26 2HH2 ARG 26 2.161 -5.977 -4.920
113 H GLN 27 H GLN 27 -5.077 -2.297 0.236
114 HA GLN 27 HA GLN 27 -7.294 -3.851 1.128
115 HB2 GLN 27 1HB GLN 27 -5.664 -2.725 2.641
116 HB3 GLN 27 2HB GLN 27 -6.309 -1.162 2.164
117 HG2 GLN 27 1HG GLN 27 -8.470 -1.708 3.129
118 HG3 GLN 27 2HG GLN 27 -7.885 -3.344 3.545
119 HE21 GLN 27 2HE1 GLN 27 -7.547 -0.510 6.242
120 HE22 GLN 27 2HE2 GLN 27 -8.709 -0.604 4.961
121 H THR 28 H THR 28 -7.096 -0.554 -0.201
122 HA THR 28 HA THR 28 -9.919 -0.033 0.095
123 HB THR 28 HB THR 28 -7.843 1.281 -1.709
124 HG1 THR 28 1HG THR 28 -7.328 1.653 0.417
125 HG21 THR 28 2HG1 THR 28 -9.454 3.141 -1.832
126 HG22 THR 28 2HG2 THR 28 -10.149 1.651 -2.514
127 HG23 THR 28 2HG3 THR 28 -10.628 2.193 -0.889
128 H LEU 29 H LEU 29 -7.894 -1.286 -2.546
129 HA LEU 29 HA LEU 29 -10.189 -1.043 -4.395
130 HB2 LEU 29 1HB LEU 29 -7.279 -1.781 -4.867
131 HB3 LEU 29 2HB LEU 29 -8.501 -1.636 -6.135
132 HG LEU 29 HG LEU 29 -7.568 0.633 -4.341
133 HD11 LEU 29 1HD1 LEU 29 -6.442 1.445 -6.365
134 HD12 LEU 29 1HD2 LEU 29 -5.813 -0.139 -5.855
135 HD13 LEU 29 1HD3 LEU 29 -6.935 -0.028 -7.232
136 HD21 LEU 29 2HD1 LEU 29 -8.845 2.028 -5.933
137 HD22 LEU 29 2HD2 LEU 29 -9.373 0.563 -6.794
138 HD23 LEU 29 2HD3 LEU 29 -9.904 0.852 -5.120
139 H LEU 30 H LEU 30 -7.950 -3.512 -3.125
140 HA LEU 30 HA LEU 30 -9.521 -5.575 -4.590
141 HB2 LEU 30 1HB LEU 30 -6.742 -5.714 -3.369
142 HB3 LEU 30 2HB LEU 30 -7.545 -7.025 -4.238
143 HG LEU 30 HG LEU 30 -6.708 -4.359 -5.433
144 HD11 LEU 30 1HD1 LEU 30 -5.045 -5.714 -6.625
145 HD12 LEU 30 1HD2 LEU 30 -4.819 -5.797 -4.861
146 HD13 LEU 30 1HD3 LEU 30 -5.577 -7.156 -5.727
147 HD21 LEU 30 2HD1 LEU 30 -7.351 -5.420 -7.569
148 HD22 LEU 30 2HD2 LEU 30 -7.916 -6.858 -6.686
149 HD23 LEU 30 2HD3 LEU 30 -8.746 -5.298 -6.470
150 H LYS 31 H LYS 31 -9.681 -4.171 -1.717
151 HA LYS 31 HA LYS 31 -10.335 -4.796 0.400
152 HB2 LYS 31 1HB LYS 31 -11.348 -7.268 -1.064
153 HB3 LYS 31 2HB LYS 31 -11.814 -6.786 0.561
154 HG2 LYS 31 1HG LYS 31 -12.786 -4.691 -0.359
155 HG3 LYS 31 2HG LYS 31 -12.370 -5.243 -1.988
156 HD2 LYS 31 1HD LYS 31 -13.774 -7.266 -1.648
157 HD3 LYS 31 2HD LYS 31 -14.212 -6.676 -0.038
158 HE2 LYS 31 1HE LYS 31 -15.232 -4.667 -1.038
159 HE3 LYS 31 2HE LYS 31 -14.768 -5.219 -2.649
160 HZ1 LYS 31 1HZ LYS 31 -17.041 -5.750 -2.153
161 HZ2 LYS 31 2HZ LYS 31 -16.171 -7.140 -2.330
162 HZ3 LYS 31 3HZ LYS 31 -16.605 -6.623 -0.824
163 H LYS 32 H LYS 32 -7.656 -5.308 -0.207
164 HA LYS 32 HA LYS 32 -7.190 -7.793 1.387
165 HB2 LYS 32 1HB LYS 32 -5.334 -6.330 -0.533
166 HB3 LYS 32 2HB LYS 32 -4.862 -7.703 0.459
167 HG2 LYS 32 1HG LYS 32 -6.544 -9.108 -0.699
168 HG3 LYS 32 2HG LYS 32 -6.973 -7.725 -1.717
169 HD2 LYS 32 1HD LYS 32 -4.649 -7.623 -2.560
170 HD3 LYS 32 2HD LYS 32 -4.218 -9.003 -1.540
171 HE2 LYS 32 1HE LYS 32 -5.912 -10.384 -2.739
172 HE3 LYS 32 2HE LYS 32 -6.264 -9.010 -3.789
173 HZ1 LYS 32 1HZ LYS 32 -4.717 -10.517 -4.800
174 HZ2 LYS 32 2HZ LYS 32 -3.983 -9.064 -4.531
175 HZ3 LYS 32 3HZ LYS 32 -3.653 -10.349 -3.550
176 HA PRO 33 HA PRO 33 -6.558 -4.750 4.557
177 HB2 PRO 33 1HB PRO 33 -5.675 -7.341 5.906
178 HB3 PRO 33 2HB PRO 33 -6.653 -6.025 6.572
179 HG2 PRO 33 1HG PRO 33 -7.906 -8.215 5.735
180 HG3 PRO 33 2HG PRO 33 -8.586 -6.638 5.319
181 HD2 PRO 33 1HD PRO 33 -6.952 -8.539 3.602
182 HD3 PRO 33 2HD PRO 33 -8.377 -7.521 3.144
183 H LYS 34 H LYS 34 -4.765 -3.569 4.942
184 HA LYS 34 HA LYS 34 -2.277 -4.189 3.736
185 HB2 LYS 34 1HB LYS 34 -3.024 -1.889 4.317
186 HB3 LYS 34 2HB LYS 34 -2.845 -2.262 6.025
187 HG2 LYS 34 1HG LYS 34 -0.419 -2.621 5.687
188 HG3 LYS 34 2HG LYS 34 -0.610 -2.213 3.975
189 HD2 LYS 34 1HD LYS 34 0.126 -0.216 5.045
190 HD3 LYS 34 2HD LYS 34 -1.602 0.010 4.737
191 HE2 LYS 34 1HE LYS 34 -2.133 -0.558 7.049
192 HE3 LYS 34 2HE LYS 34 -0.443 -0.946 7.380
193 HZ1 LYS 34 1HZ LYS 34 -1.015 1.238 8.151
194 HZ2 LYS 34 2HZ LYS 34 0.108 1.349 6.947
195 HZ3 LYS 34 3HZ LYS 34 -1.472 1.712 6.639
196 H LYS 35 H LYS 35 -0.789 -5.603 4.234
197 HA LYS 35 HA LYS 35 0.253 -5.832 6.913
198 HB2 LYS 35 1HB LYS 35 -1.819 -7.199 7.170
199 HB3 LYS 35 2HB LYS 35 -1.290 -8.230 5.848
200 HG2 LYS 35 1HG LYS 35 0.646 -8.965 7.139
201 HG3 LYS 35 2HG LYS 35 0.220 -7.855 8.451
202 HD2 LYS 35 1HD LYS 35 -1.921 -9.052 8.770
203 HD3 LYS 35 2HD LYS 35 -1.498 -10.161 7.457
204 HE2 LYS 35 1HE LYS 35 0.492 -10.904 8.727
205 HE3 LYS 35 2HE LYS 35 0.070 -9.799 10.038
206 HZ1 LYS 35 1HZ LYS 35 -0.678 -12.020 10.481
207 HZ2 LYS 35 2HZ LYS 35 -1.978 -11.017 10.327
208 HZ3 LYS 35 3HZ LYS 35 -1.584 -12.049 9.103
Start of MODEL 9
1 H1 LYS 15 1H LYS 15 8.561 -5.912 4.816
2 H2 LYS 15 2H LYS 15 9.805 -4.864 4.958
3 H3 LYS 15 3H LYS 15 8.414 -4.593 5.768
4 HA LYS 15 HA LYS 15 8.762 -4.569 2.877
5 HB2 LYS 15 1HB LYS 15 6.315 -4.109 4.625
6 HB3 LYS 15 2HB LYS 15 6.397 -3.654 2.929
7 HG2 LYS 15 1HG LYS 15 6.763 -6.013 2.308
8 HG3 LYS 15 2HG LYS 15 6.682 -6.471 4.015
9 HD2 LYS 15 1HD LYS 15 4.380 -5.691 4.170
10 HD3 LYS 15 2HD LYS 15 4.447 -5.053 2.520
11 HE2 LYS 15 1HE LYS 15 4.755 -7.320 1.629
12 HE3 LYS 15 2HE LYS 15 4.773 -7.983 3.265
13 HZ1 LYS 15 1HZ LYS 15 2.632 -8.219 2.242
14 HZ2 LYS 15 2HZ LYS 15 2.518 -7.210 3.542
15 HZ3 LYS 15 3HZ LYS 15 2.501 -6.592 2.012
16 H LYS 16 H LYS 16 8.827 -2.573 1.898
17 HA LYS 16 HA LYS 16 9.726 -0.366 3.600
18 HB2 LYS 16 1HB LYS 16 9.310 -0.590 0.593
19 HB3 LYS 16 2HB LYS 16 9.931 0.845 1.395
20 HG2 LYS 16 1HG LYS 16 11.857 -0.468 2.235
21 HG3 LYS 16 2HG LYS 16 11.236 -1.893 1.390
22 HD2 LYS 16 1HD LYS 16 11.400 -0.688 -0.766
23 HD3 LYS 16 2HD LYS 16 12.023 0.737 0.080
24 HE2 LYS 16 1HE LYS 16 13.966 -0.572 0.864
25 HE3 LYS 16 2HE LYS 16 13.344 -2.002 0.037
26 HZ1 LYS 16 1HZ LYS 16 15.002 -0.884 -1.263
27 HZ2 LYS 16 2HZ LYS 16 13.548 -0.819 -2.041
28 HZ3 LYS 16 3HZ LYS 16 14.132 0.517 -1.268
29 HA PRO 17 HA PRO 17 6.120 1.931 4.223
30 HB2 PRO 17 1HB PRO 17 7.572 4.214 2.824
31 HB3 PRO 17 2HB PRO 17 6.683 4.238 4.352
32 HG2 PRO 17 1HG PRO 17 9.336 4.144 4.451
33 HG3 PRO 17 2HG PRO 17 8.410 3.103 5.538
34 HD2 PRO 17 1HD PRO 17 9.802 2.398 2.927
35 HD3 PRO 17 2HD PRO 17 9.726 1.458 4.471
36 H LEU 18 H LEU 18 7.702 2.276 1.044
37 HA LEU 18 HA LEU 18 5.394 3.186 -0.385
38 HB2 LEU 18 1HB LEU 18 7.885 1.706 -1.287
39 HB3 LEU 18 2HB LEU 18 6.660 2.325 -2.399
40 HG LEU 18 HG LEU 18 8.293 4.044 -0.497
41 HD11 LEU 18 1HD1 LEU 18 9.507 4.727 -2.518
42 HD12 LEU 18 1HD2 LEU 18 9.697 2.988 -2.192
43 HD13 LEU 18 1HD3 LEU 18 8.588 3.539 -3.472
44 HD21 LEU 18 2HD1 LEU 18 7.379 5.888 -1.866
45 HD22 LEU 18 2HD2 LEU 18 6.430 4.717 -2.812
46 HD23 LEU 18 2HD3 LEU 18 6.074 4.964 -1.085
47 H GLY 19 H GLY 19 6.716 -0.048 0.271
48 HA2 GLY 19 1HA GLY 19 4.757 -1.483 -1.283
49 HA3 GLY 19 2HA GLY 19 5.782 -2.156 -0.029
50 H LYS 20 H LYS 20 4.922 -0.322 2.065
51 HA LYS 20 HA LYS 20 2.575 -1.668 3.009
52 HB2 LYS 20 1HB LYS 20 3.944 0.899 3.897
53 HB3 LYS 20 2HB LYS 20 2.568 0.202 4.740
54 HG2 LYS 20 1HG LYS 20 3.853 -1.840 5.198
55 HG3 LYS 20 2HG LYS 20 5.233 -1.179 4.310
56 HD2 LYS 20 1HD LYS 20 5.345 0.716 5.910
57 HD3 LYS 20 2HD LYS 20 3.981 0.028 6.805
58 HE2 LYS 20 1HE LYS 20 5.302 -2.011 7.258
59 HE3 LYS 20 2HE LYS 20 6.661 -1.337 6.356
60 HZ1 LYS 20 1HZ LYS 20 6.915 -1.012 8.705
61 HZ2 LYS 20 2HZ LYS 20 6.763 0.449 7.954
62 HZ3 LYS 20 3HZ LYS 20 5.494 -0.181 8.799
63 H MET 21 H MET 21 3.079 1.496 1.466
64 HA MET 21 HA MET 21 0.316 2.287 1.599
65 HB2 MET 21 1HB MET 21 2.638 3.134 -0.164
66 HB3 MET 21 2HB MET 21 1.035 3.838 -0.320
67 HG2 MET 21 1HG MET 21 2.822 3.938 2.126
68 HG3 MET 21 2HG MET 21 2.439 5.268 1.030
69 HE1 MET 21 1HE MET 21 -1.387 5.829 1.736
70 HE2 MET 21 2HE MET 21 0.039 6.381 0.821
71 HE3 MET 21 3HE MET 21 -0.673 4.786 0.482
72 H ALA 22 H ALA 22 2.234 0.495 -0.783
73 HA ALA 22 HA ALA 22 0.240 0.265 -2.781
74 HB1 ALA 22 1HB ALA 22 1.457 -1.771 -3.482
75 HB2 ALA 22 2HB ALA 22 2.569 -0.426 -3.133
76 HB3 ALA 22 3HB ALA 22 2.369 -1.742 -1.954
77 H ASP 23 H ASP 23 0.886 -1.772 0.074
78 HA ASP 23 HA ASP 23 -1.313 -3.561 -0.400
79 HB2 ASP 23 1HB ASP 23 0.299 -2.851 2.071
80 HB3 ASP 23 2HB ASP 23 -1.035 -3.993 2.132
81 H TRP 24 H TRP 24 -0.988 -0.472 1.288
82 HA TRP 24 HA TRP 24 -3.559 -0.412 2.498
83 HB2 TRP 24 1HB TRP 24 -1.730 1.218 2.965
84 HB3 TRP 24 2HB TRP 24 -1.946 1.906 1.362
85 HD1 TRP 24 1HD TRP 24 -3.733 1.643 4.772
86 HE1 TRP 24 1HE TRP 24 -5.496 3.528 4.938
87 HE3 TRP 24 3HE TRP 24 -3.406 3.453 -0.016
88 HZ2 TRP 24 2HZ TRP 24 -6.582 5.510 3.246
89 HZ3 TRP 24 3HZ TRP 24 -4.836 5.345 -0.679
90 HH2 TRP 24 2HH TRP 24 -6.399 6.364 0.923
91 H PHE 25 H PHE 25 -2.462 0.607 -0.738
92 HA PHE 25 HA PHE 25 -5.046 1.462 -1.645
93 HB2 PHE 25 1HB PHE 25 -2.508 0.588 -3.048
94 HB3 PHE 25 2HB PHE 25 -3.966 0.949 -3.959
95 HD1 PHE 25 1HD PHE 25 -0.996 2.284 -2.711
96 HD2 PHE 25 2HD PHE 25 -5.115 3.267 -3.285
97 HE1 PHE 25 1HE PHE 25 -0.427 4.689 -2.664
98 HE2 PHE 25 2HE PHE 25 -4.549 5.673 -3.240
99 HZ PHE 25 HZ PHE 25 -2.204 6.384 -2.927
100 H ARG 26 H ARG 26 -3.375 -1.661 -1.641
101 HA ARG 26 HA ARG 26 -5.330 -3.058 -3.209
102 HB2 ARG 26 1HB ARG 26 -3.317 -3.988 -1.142
103 HB3 ARG 26 2HB ARG 26 -4.363 -5.097 -2.017
104 HG2 ARG 26 1HG ARG 26 -3.360 -4.508 -4.118
105 HG3 ARG 26 2HG ARG 26 -2.436 -3.188 -3.361
106 HD2 ARG 26 1HD ARG 26 -1.176 -4.752 -2.066
107 HD3 ARG 26 2HD ARG 26 -2.165 -6.102 -2.669
108 HE ARG 26 HE ARG 26 -1.240 -5.139 -4.970
109 HH11 ARG 26 1HH1 ARG 26 0.436 -5.684 -1.931
110 HH12 ARG 26 1HH2 ARG 26 1.977 -6.006 -2.694
111 HH21 ARG 26 2HH1 ARG 26 0.767 -5.557 -5.949
112 HH22 ARG 26 2HH2 ARG 26 2.165 -5.933 -4.968
113 H GLN 27 H GLN 27 -5.036 -2.333 0.245
114 HA GLN 27 HA GLN 27 -7.273 -3.864 1.132
115 HB2 GLN 27 1HB GLN 27 -5.617 -2.794 2.653
116 HB3 GLN 27 2HB GLN 27 -6.227 -1.209 2.197
117 HG2 GLN 27 1HG GLN 27 -8.397 -1.718 3.165
118 HG3 GLN 27 2HG GLN 27 -7.846 -3.370 3.561
119 HE21 GLN 27 2HE1 GLN 27 -7.466 -0.625 6.318
120 HE22 GLN 27 2HE2 GLN 27 -8.657 -0.713 5.061
121 H THR 28 H THR 28 -7.026 -0.555 -0.156
122 HA THR 28 HA THR 28 -9.825 0.035 0.202
123 HB THR 28 HB THR 28 -7.760 1.299 -1.653
124 HG1 THR 28 1HG THR 28 -7.193 1.631 0.475
125 HG21 THR 28 2HG1 THR 28 -9.321 3.202 -1.731
126 HG22 THR 28 2HG2 THR 28 -10.075 1.734 -2.398
127 HG23 THR 28 2HG3 THR 28 -10.496 2.284 -0.760
128 H LEU 29 H LEU 29 -7.909 -1.289 -2.484
129 HA LEU 29 HA LEU 29 -10.262 -0.982 -4.263
130 HB2 LEU 29 1HB LEU 29 -7.365 -1.682 -4.864
131 HB3 LEU 29 2HB LEU 29 -8.636 -1.493 -6.077
132 HG LEU 29 HG LEU 29 -7.628 0.710 -4.240
133 HD11 LEU 29 1HD1 LEU 29 -6.596 1.601 -6.281
134 HD12 LEU 29 1HD2 LEU 29 -5.945 -0.001 -5.860
135 HD13 LEU 29 1HD3 LEU 29 -7.128 0.161 -7.179
136 HD21 LEU 29 2HD1 LEU 29 -8.976 2.162 -5.716
137 HD22 LEU 29 2HD2 LEU 29 -9.544 0.731 -6.609
138 HD23 LEU 29 2HD3 LEU 29 -9.998 0.953 -4.902
139 H LEU 30 H LEU 30 -7.969 -3.447 -3.097
140 HA LEU 30 HA LEU 30 -9.546 -5.502 -4.568
141 HB2 LEU 30 1HB LEU 30 -6.747 -5.632 -3.393
142 HB3 LEU 30 2HB LEU 30 -7.552 -6.940 -4.266
143 HG LEU 30 HG LEU 30 -6.755 -4.250 -5.438
144 HD11 LEU 30 1HD1 LEU 30 -5.103 -5.577 -6.676
145 HD12 LEU 30 1HD2 LEU 30 -4.848 -5.683 -4.919
146 HD13 LEU 30 1HD3 LEU 30 -5.610 -7.035 -5.791
147 HD21 LEU 30 2HD1 LEU 30 -7.428 -5.286 -7.578
148 HD22 LEU 30 2HD2 LEU 30 -7.968 -6.741 -6.705
149 HD23 LEU 30 2HD3 LEU 30 -8.804 -5.190 -6.454
150 H LYS 31 H LYS 31 -9.663 -4.142 -1.669
151 HA LYS 31 HA LYS 31 -10.288 -4.806 0.446
152 HB2 LYS 31 1HB LYS 31 -11.317 -7.251 -1.049
153 HB3 LYS 31 2HB LYS 31 -11.762 -6.800 0.591
154 HG2 LYS 31 1HG LYS 31 -12.749 -4.691 -0.278
155 HG3 LYS 31 2HG LYS 31 -12.354 -5.211 -1.922
156 HD2 LYS 31 1HD LYS 31 -13.751 -7.241 -1.601
157 HD3 LYS 31 2HD LYS 31 -14.169 -6.683 0.026
158 HE2 LYS 31 1HE LYS 31 -15.203 -4.656 -0.923
159 HE3 LYS 31 2HE LYS 31 -14.761 -5.179 -2.551
160 HZ1 LYS 31 1HZ LYS 31 -17.026 -5.720 -2.034
161 HZ2 LYS 31 2HZ LYS 31 -16.157 -7.106 -2.248
162 HZ3 LYS 31 3HZ LYS 31 -16.571 -6.617 -0.728
163 H LYS 32 H LYS 32 -7.617 -5.306 -0.210
164 HA LYS 32 HA LYS 32 -7.130 -7.805 1.355
165 HB2 LYS 32 1HB LYS 32 -5.293 -6.327 -0.571
166 HB3 LYS 32 2HB LYS 32 -4.815 -7.711 0.400
167 HG2 LYS 32 1HG LYS 32 -6.512 -9.099 -0.754
168 HG3 LYS 32 2HG LYS 32 -6.951 -7.705 -1.751
169 HD2 LYS 32 1HD LYS 32 -4.635 -7.594 -2.619
170 HD3 LYS 32 2HD LYS 32 -4.197 -8.990 -1.623
171 HE2 LYS 32 1HE LYS 32 -5.906 -10.350 -2.822
172 HE3 LYS 32 2HE LYS 32 -6.270 -8.960 -3.848
173 HZ1 LYS 32 1HZ LYS 32 -4.738 -10.456 -4.898
174 HZ2 LYS 32 2HZ LYS 32 -3.998 -9.007 -4.618
175 HZ3 LYS 32 3HZ LYS 32 -3.658 -10.307 -3.661
176 HA PRO 33 HA PRO 33 -6.469 -4.759 4.517
177 HB2 PRO 33 1HB PRO 33 -5.637 -7.352 5.894
178 HB3 PRO 33 2HB PRO 33 -6.607 -6.021 6.536
179 HG2 PRO 33 1HG PRO 33 -7.873 -8.203 5.702
180 HG3 PRO 33 2HG PRO 33 -8.532 -6.623 5.267
181 HD2 PRO 33 1HD PRO 33 -6.895 -8.551 3.582
182 HD3 PRO 33 2HD PRO 33 -8.308 -7.528 3.102
183 H LYS 34 H LYS 34 -4.661 -3.602 4.888
184 HA LYS 34 HA LYS 34 -2.127 -4.335 3.825
185 HB2 LYS 34 1HB LYS 34 -2.834 -1.992 4.244
186 HB3 LYS 34 2HB LYS 34 -2.777 -2.281 5.977
187 HG2 LYS 34 1HG LYS 34 -0.350 -2.706 5.832
188 HG3 LYS 34 2HG LYS 34 -0.409 -2.411 4.088
189 HD2 LYS 34 1HD LYS 34 0.314 -0.369 5.089
190 HD3 LYS 34 2HD LYS 34 -1.373 -0.118 4.617
191 HE2 LYS 34 1HE LYS 34 -2.119 -0.504 6.906
192 HE3 LYS 34 2HE LYS 34 -0.480 -0.921 7.409
193 HZ1 LYS 34 1HZ LYS 34 -1.034 1.329 7.980
194 HZ2 LYS 34 2HZ LYS 34 0.191 1.321 6.875
195 HZ3 LYS 34 3HZ LYS 34 -1.342 1.710 6.406
196 H LYS 35 H LYS 35 -0.534 -5.554 4.522
197 HA LYS 35 HA LYS 35 0.053 -5.851 7.352
198 HB2 LYS 35 1HB LYS 35 -1.852 -7.443 7.096
199 HB3 LYS 35 2HB LYS 35 -0.961 -8.289 5.837
200 HG2 LYS 35 1HG LYS 35 0.768 -8.931 7.434
201 HG3 LYS 35 2HG LYS 35 -0.030 -7.999 8.708
202 HD2 LYS 35 1HD LYS 35 -2.032 -9.437 8.515
203 HD3 LYS 35 2HD LYS 35 -1.242 -10.367 7.232
204 HE2 LYS 35 1HE LYS 35 0.551 -11.018 8.808
205 HE3 LYS 35 2HE LYS 35 -0.235 -10.092 10.089
206 HZ1 LYS 35 1HZ LYS 35 -0.783 -12.411 10.213
207 HZ2 LYS 35 2HZ LYS 35 -2.142 -11.536 9.882
208 HZ3 LYS 35 3HZ LYS 35 -1.406 -12.402 8.686
Start of MODEL 10
1 H1 LYS 15 1H LYS 15 9.574 -5.620 4.734
2 H2 LYS 15 2H LYS 15 10.633 -4.390 4.557
3 H3 LYS 15 3H LYS 15 9.488 -4.320 5.718
4 HA LYS 15 HA LYS 15 9.034 -4.304 2.842
5 HB2 LYS 15 1HB LYS 15 7.249 -5.466 4.142
6 HB3 LYS 15 2HB LYS 15 7.055 -4.032 5.140
7 HG2 LYS 15 1HG LYS 15 6.335 -2.739 3.182
8 HG3 LYS 15 2HG LYS 15 6.573 -4.156 2.149
9 HD2 LYS 15 1HD LYS 15 4.691 -4.098 4.536
10 HD3 LYS 15 2HD LYS 15 4.188 -3.768 2.871
11 HE2 LYS 15 1HE LYS 15 5.015 -6.023 2.203
12 HE3 LYS 15 2HE LYS 15 5.439 -6.348 3.886
13 HZ1 LYS 15 1HZ LYS 15 3.310 -7.261 3.320
14 HZ2 LYS 15 2HZ LYS 15 3.124 -6.083 4.460
15 HZ3 LYS 15 3HZ LYS 15 2.728 -5.779 2.888
16 H LYS 16 H LYS 16 9.130 -2.402 1.892
17 HA LYS 16 HA LYS 16 9.874 -0.068 3.479
18 HB2 LYS 16 1HB LYS 16 9.388 -0.442 0.499
19 HB3 LYS 16 2HB LYS 16 9.924 1.067 1.224
20 HG2 LYS 16 1HG LYS 16 11.965 -0.063 2.055
21 HG3 LYS 16 2HG LYS 16 11.429 -1.564 1.285
22 HD2 LYS 16 1HD LYS 16 11.441 -0.438 -0.920
23 HD3 LYS 16 2HD LYS 16 11.980 1.061 -0.149
24 HE2 LYS 16 1HE LYS 16 14.037 -0.069 0.622
25 HE3 LYS 16 2HE LYS 16 13.500 -1.574 -0.129
26 HZ1 LYS 16 1HZ LYS 16 15.031 -0.390 -1.522
27 HZ2 LYS 16 2HZ LYS 16 13.556 -0.464 -2.256
28 HZ3 LYS 16 3HZ LYS 16 14.059 0.941 -1.554
29 HA PRO 17 HA PRO 17 6.100 1.949 4.132
30 HB2 PRO 17 1HB PRO 17 7.397 4.335 2.753
31 HB3 PRO 17 2HB PRO 17 6.521 4.282 4.288
32 HG2 PRO 17 1HG PRO 17 9.177 4.363 4.365
33 HG3 PRO 17 2HG PRO 17 8.331 3.256 5.449
34 HD2 PRO 17 1HD PRO 17 9.735 2.664 2.815
35 HD3 PRO 17 2HD PRO 17 9.749 1.714 4.354
36 H LEU 18 H LEU 18 7.672 2.354 0.962
37 HA LEU 18 HA LEU 18 5.360 3.183 -0.496
38 HB2 LEU 18 1HB LEU 18 7.869 1.704 -1.354
39 HB3 LEU 18 2HB LEU 18 6.642 2.285 -2.484
40 HG LEU 18 HG LEU 18 8.246 4.066 -0.617
41 HD11 LEU 18 1HD1 LEU 18 9.471 4.708 -2.644
42 HD12 LEU 18 1HD2 LEU 18 9.675 2.980 -2.272
43 HD13 LEU 18 1HD3 LEU 18 8.573 3.487 -3.575
44 HD21 LEU 18 2HD1 LEU 18 7.327 5.865 -2.041
45 HD22 LEU 18 2HD2 LEU 18 6.396 4.660 -2.963
46 HD23 LEU 18 2HD3 LEU 18 6.024 4.949 -1.247
47 H GLY 19 H GLY 19 6.713 -0.027 0.225
48 HA2 GLY 19 1HA GLY 19 4.754 -1.508 -1.285
49 HA3 GLY 19 2HA GLY 19 5.795 -2.149 -0.028
50 H LYS 20 H LYS 20 4.952 -0.306 2.050
51 HA LYS 20 HA LYS 20 2.627 -1.649 3.040
52 HB2 LYS 20 1HB LYS 20 3.978 0.945 3.873
53 HB3 LYS 20 2HB LYS 20 2.625 0.239 4.746
54 HG2 LYS 20 1HG LYS 20 3.950 -1.781 5.203
55 HG3 LYS 20 2HG LYS 20 5.308 -1.102 4.293
56 HD2 LYS 20 1HD LYS 20 5.404 0.807 5.876
57 HD3 LYS 20 2HD LYS 20 4.063 0.102 6.793
58 HE2 LYS 20 1HE LYS 20 5.426 -1.909 7.247
59 HE3 LYS 20 2HE LYS 20 6.763 -1.218 6.323
60 HZ1 LYS 20 1HZ LYS 20 7.037 -0.869 8.667
61 HZ2 LYS 20 2HZ LYS 20 6.849 0.583 7.907
62 HZ3 LYS 20 3HZ LYS 20 5.602 -0.063 8.770
63 H MET 21 H MET 21 3.082 1.497 1.447
64 HA MET 21 HA MET 21 0.311 2.260 1.621
65 HB2 MET 21 1HB MET 21 2.603 3.141 -0.161
66 HB3 MET 21 2HB MET 21 0.990 3.825 -0.302
67 HG2 MET 21 1HG MET 21 2.799 3.944 2.126
68 HG3 MET 21 2HG MET 21 2.383 5.272 1.039
69 HE1 MET 21 1HE MET 21 -1.448 5.756 1.786
70 HE2 MET 21 2HE MET 21 -0.047 6.335 0.850
71 HE3 MET 21 3HE MET 21 -0.731 4.723 0.527
72 H ALA 22 H ALA 22 2.224 0.493 -0.781
73 HA ALA 22 HA ALA 22 0.227 0.249 -2.770
74 HB1 ALA 22 1HB ALA 22 1.448 -1.785 -3.469
75 HB2 ALA 22 2HB ALA 22 2.556 -0.436 -3.126
76 HB3 ALA 22 3HB ALA 22 2.362 -1.752 -1.944
77 H ASP 23 H ASP 23 0.880 -1.778 0.092
78 HA ASP 23 HA ASP 23 -1.310 -3.576 -0.367
79 HB2 ASP 23 1HB ASP 23 0.270 -2.820 2.112
80 HB3 ASP 23 2HB ASP 23 -1.047 -3.983 2.165
81 H TRP 24 H TRP 24 -1.006 -0.481 1.323
82 HA TRP 24 HA TRP 24 -3.597 -0.423 2.493
83 HB2 TRP 24 1HB TRP 24 -1.771 1.203 2.992
84 HB3 TRP 24 2HB TRP 24 -1.966 1.900 1.391
85 HD1 TRP 24 1HD TRP 24 -3.743 1.668 4.798
86 HE1 TRP 24 1HE TRP 24 -5.528 3.533 4.944
87 HE3 TRP 24 3HE TRP 24 -3.483 3.387 -0.027
88 HZ2 TRP 24 2HZ TRP 24 -6.655 5.467 3.225
89 HZ3 TRP 24 3HZ TRP 24 -4.944 5.246 -0.714
90 HH2 TRP 24 2HH TRP 24 -6.506 6.277 0.882
91 H PHE 25 H PHE 25 -2.448 0.594 -0.725
92 HA PHE 25 HA PHE 25 -5.010 1.487 -1.660
93 HB2 PHE 25 1HB PHE 25 -2.465 0.591 -3.036
94 HB3 PHE 25 2HB PHE 25 -3.906 0.977 -3.963
95 HD1 PHE 25 1HD PHE 25 -0.932 2.265 -2.697
96 HD2 PHE 25 2HD PHE 25 -5.038 3.305 -3.256
97 HE1 PHE 25 1HE PHE 25 -0.333 4.662 -2.624
98 HE2 PHE 25 2HE PHE 25 -4.442 5.703 -3.186
99 HZ PHE 25 HZ PHE 25 -2.088 6.381 -2.868
100 H ARG 26 H ARG 26 -3.373 -1.655 -1.663
101 HA ARG 26 HA ARG 26 -5.321 -3.028 -3.254
102 HB2 ARG 26 1HB ARG 26 -3.359 -3.980 -1.150
103 HB3 ARG 26 2HB ARG 26 -4.406 -5.077 -2.036
104 HG2 ARG 26 1HG ARG 26 -3.359 -4.524 -4.121
105 HG3 ARG 26 2HG ARG 26 -2.439 -3.200 -3.366
106 HD2 ARG 26 1HD ARG 26 -1.207 -4.756 -2.033
107 HD3 ARG 26 2HD ARG 26 -2.198 -6.107 -2.630
108 HE ARG 26 HE ARG 26 -1.231 -5.171 -4.932
109 HH11 ARG 26 1HH1 ARG 26 0.388 -5.729 -1.864
110 HH12 ARG 26 1HH2 ARG 26 1.935 -6.082 -2.602
111 HH21 ARG 26 2HH1 ARG 26 0.782 -5.631 -5.877
112 HH22 ARG 26 2HH2 ARG 26 2.158 -6.027 -4.873
113 H GLN 27 H GLN 27 -5.063 -2.343 0.216
114 HA GLN 27 HA GLN 27 -7.359 -3.820 1.041
115 HB2 GLN 27 1HB GLN 27 -5.691 -2.835 2.606
116 HB3 GLN 27 2HB GLN 27 -6.246 -1.224 2.177
117 HG2 GLN 27 1HG GLN 27 -8.446 -1.690 3.102
118 HG3 GLN 27 2HG GLN 27 -7.944 -3.363 3.476
119 HE21 GLN 27 2HE1 GLN 27 -7.513 -0.648 6.269
120 HE22 GLN 27 2HE2 GLN 27 -8.676 -0.665 4.985
121 H THR 28 H THR 28 -6.985 -0.502 -0.187
122 HA THR 28 HA THR 28 -9.757 0.193 0.180
123 HB THR 28 HB THR 28 -7.644 1.404 -1.654
124 HG1 THR 28 1HG THR 28 -7.060 1.675 0.477
125 HG21 THR 28 2HG1 THR 28 -9.127 3.371 -1.694
126 HG22 THR 28 2HG2 THR 28 -9.940 1.947 -2.387
127 HG23 THR 28 2HG3 THR 28 -10.336 2.485 -0.738
128 H LEU 29 H LEU 29 -7.900 -1.177 -2.522
129 HA LEU 29 HA LEU 29 -10.247 -0.748 -4.291
130 HB2 LEU 29 1HB LEU 29 -7.368 -1.485 -4.930
131 HB3 LEU 29 2HB LEU 29 -8.641 -1.225 -6.127
132 HG LEU 29 HG LEU 29 -7.570 0.887 -4.220
133 HD11 LEU 29 1HD1 LEU 29 -6.534 1.828 -6.237
134 HD12 LEU 29 1HD2 LEU 29 -5.916 0.198 -5.880
135 HD13 LEU 29 1HD3 LEU 29 -7.107 0.434 -7.182
136 HD21 LEU 29 2HD1 LEU 29 -8.896 2.422 -5.631
137 HD22 LEU 29 2HD2 LEU 29 -9.504 1.037 -6.569
138 HD23 LEU 29 2HD3 LEU 29 -9.938 1.208 -4.852
139 H LEU 30 H LEU 30 -8.013 -3.284 -3.173
140 HA LEU 30 HA LEU 30 -9.610 -5.272 -4.713
141 HB2 LEU 30 1HB LEU 30 -6.830 -5.486 -3.502
142 HB3 LEU 30 2HB LEU 30 -7.647 -6.757 -4.415
143 HG LEU 30 HG LEU 30 -6.783 -4.058 -5.515
144 HD11 LEU 30 1HD1 LEU 30 -5.140 -5.390 -6.760
145 HD12 LEU 30 1HD2 LEU 30 -4.911 -5.540 -5.002
146 HD13 LEU 30 1HD3 LEU 30 -5.686 -6.856 -5.915
147 HD21 LEU 30 2HD1 LEU 30 -7.445 -5.033 -7.688
148 HD22 LEU 30 2HD2 LEU 30 -8.024 -6.495 -6.856
149 HD23 LEU 30 2HD3 LEU 30 -8.834 -4.935 -6.580
150 H LYS 31 H LYS 31 -9.732 -3.975 -1.782
151 HA LYS 31 HA LYS 31 -10.395 -4.674 0.309
152 HB2 LYS 31 1HB LYS 31 -11.470 -7.054 -1.257
153 HB3 LYS 31 2HB LYS 31 -11.920 -6.633 0.390
154 HG2 LYS 31 1HG LYS 31 -12.844 -4.478 -0.436
155 HG3 LYS 31 2HG LYS 31 -12.445 -4.968 -2.088
156 HD2 LYS 31 1HD LYS 31 -13.896 -6.969 -1.833
157 HD3 LYS 31 2HD LYS 31 -14.317 -6.440 -0.197
158 HE2 LYS 31 1HE LYS 31 -15.290 -4.364 -1.104
159 HE3 LYS 31 2HE LYS 31 -14.844 -4.858 -2.739
160 HZ1 LYS 31 1HZ LYS 31 -17.126 -5.355 -2.261
161 HZ2 LYS 31 2HZ LYS 31 -16.291 -6.757 -2.500
162 HZ3 LYS 31 3HZ LYS 31 -16.709 -6.295 -0.972
163 H LYS 32 H LYS 32 -7.729 -5.228 -0.332
164 HA LYS 32 HA LYS 32 -7.325 -7.773 1.184
165 HB2 LYS 32 1HB LYS 32 -5.430 -6.303 -0.694
166 HB3 LYS 32 2HB LYS 32 -4.999 -7.720 0.253
167 HG2 LYS 32 1HG LYS 32 -6.717 -9.038 -0.949
168 HG3 LYS 32 2HG LYS 32 -7.113 -7.611 -1.918
169 HD2 LYS 32 1HD LYS 32 -4.786 -7.540 -2.762
170 HD3 LYS 32 2HD LYS 32 -4.394 -8.969 -1.795
171 HE2 LYS 32 1HE LYS 32 -6.125 -10.257 -3.039
172 HE3 LYS 32 2HE LYS 32 -6.445 -8.835 -4.036
173 HZ1 LYS 32 1HZ LYS 32 -4.941 -10.344 -5.108
174 HZ2 LYS 32 2HZ LYS 32 -4.168 -8.922 -4.788
175 HZ3 LYS 32 3HZ LYS 32 -3.870 -10.251 -3.858
176 HA PRO 33 HA PRO 33 -6.621 -4.816 4.419
177 HB2 PRO 33 1HB PRO 33 -5.857 -7.458 5.740
178 HB3 PRO 33 2HB PRO 33 -6.800 -6.120 6.407
179 HG2 PRO 33 1HG PRO 33 -8.111 -8.252 5.514
180 HG3 PRO 33 2HG PRO 33 -8.730 -6.648 5.113
181 HD2 PRO 33 1HD PRO 33 -7.129 -8.572 3.392
182 HD3 PRO 33 2HD PRO 33 -8.512 -7.503 2.928
183 H LYS 34 H LYS 34 -4.789 -3.708 4.832
184 HA LYS 34 HA LYS 34 -2.271 -4.461 3.752
185 HB2 LYS 34 1HB LYS 34 -2.927 -2.118 4.241
186 HB3 LYS 34 2HB LYS 34 -2.884 -2.460 5.965
187 HG2 LYS 34 1HG LYS 34 -0.470 -2.917 5.830
188 HG3 LYS 34 2HG LYS 34 -0.506 -2.604 4.089
189 HD2 LYS 34 1HD LYS 34 0.253 -0.589 5.122
190 HD3 LYS 34 2HD LYS 34 -1.421 -0.295 4.628
191 HE2 LYS 34 1HE LYS 34 -2.212 -0.681 6.900
192 HE3 LYS 34 2HE LYS 34 -0.593 -1.147 7.426
193 HZ1 LYS 34 1HZ LYS 34 -1.095 1.110 8.011
194 HZ2 LYS 34 2HZ LYS 34 0.147 1.080 6.926
195 HZ3 LYS 34 3HZ LYS 34 -1.366 1.517 6.436
196 H LYS 35 H LYS 35 -0.748 -5.787 4.394
197 HA LYS 35 HA LYS 35 -0.093 -6.143 7.195
198 HB2 LYS 35 1HB LYS 35 -2.105 -7.609 7.013
199 HB3 LYS 35 2HB LYS 35 -1.320 -8.509 5.724
200 HG2 LYS 35 1HG LYS 35 0.424 -9.264 7.255
201 HG3 LYS 35 2HG LYS 35 -0.263 -8.281 8.556
202 HD2 LYS 35 1HD LYS 35 -2.359 -9.587 8.441
203 HD3 LYS 35 2HD LYS 35 -1.679 -10.567 7.133
204 HE2 LYS 35 1HE LYS 35 0.124 -11.331 8.644
205 HE3 LYS 35 2HE LYS 35 -0.553 -10.356 9.951
206 HZ1 LYS 35 1HZ LYS 35 -1.244 -12.634 10.101
207 HZ2 LYS 35 2HZ LYS 35 -2.555 -11.673 9.819
208 HZ3 LYS 35 3HZ LYS 35 -1.921 -12.585 8.599
Start of MODEL 11
1 H1 LYS 15 1H LYS 15 9.557 -5.715 4.737
2 H2 LYS 15 2H LYS 15 10.606 -4.469 4.624
3 H3 LYS 15 3H LYS 15 9.418 -4.436 5.742
4 HA LYS 15 HA LYS 15 9.070 -4.368 2.852
5 HB2 LYS 15 1HB LYS 15 7.251 -5.578 4.047
6 HB3 LYS 15 2HB LYS 15 7.010 -4.181 5.087
7 HG2 LYS 15 1HG LYS 15 6.307 -2.828 3.183
8 HG3 LYS 15 2HG LYS 15 6.651 -4.165 2.076
9 HD2 LYS 15 1HD LYS 15 4.668 -4.361 4.369
10 HD3 LYS 15 2HD LYS 15 4.217 -3.897 2.722
11 HE2 LYS 15 1HE LYS 15 5.168 -6.055 1.894
12 HE3 LYS 15 2HE LYS 15 5.505 -6.520 3.564
13 HZ1 LYS 15 1HZ LYS 15 3.442 -7.436 2.792
14 HZ2 LYS 15 2HZ LYS 15 3.154 -6.370 4.018
15 HZ3 LYS 15 3HZ LYS 15 2.839 -5.938 2.459
16 H LYS 16 H LYS 16 9.138 -2.443 1.940
17 HA LYS 16 HA LYS 16 9.846 -0.144 3.591
18 HB2 LYS 16 1HB LYS 16 9.413 -0.451 0.595
19 HB3 LYS 16 2HB LYS 16 9.931 1.043 1.363
20 HG2 LYS 16 1HG LYS 16 11.961 -0.101 2.203
21 HG3 LYS 16 2HG LYS 16 11.444 -1.585 1.389
22 HD2 LYS 16 1HD LYS 16 11.490 -0.410 -0.788
23 HD3 LYS 16 2HD LYS 16 12.011 1.074 0.026
24 HE2 LYS 16 1HE LYS 16 14.058 -0.068 0.807
25 HE3 LYS 16 2HE LYS 16 13.538 -1.557 0.012
26 HZ1 LYS 16 1HZ LYS 16 15.090 -0.338 -1.327
27 HZ2 LYS 16 2HZ LYS 16 13.628 -0.399 -2.087
28 HZ3 LYS 16 3HZ LYS 16 14.114 0.991 -1.345
29 HA PRO 17 HA PRO 17 6.057 1.852 4.223
30 HB2 PRO 17 1HB PRO 17 7.366 4.266 2.908
31 HB3 PRO 17 2HB PRO 17 6.466 4.183 4.428
32 HG2 PRO 17 1HG PRO 17 9.120 4.272 4.547
33 HG3 PRO 17 2HG PRO 17 8.262 3.140 5.597
34 HD2 PRO 17 1HD PRO 17 9.709 2.605 2.975
35 HD3 PRO 17 2HD PRO 17 9.704 1.625 4.496
36 H LEU 18 H LEU 18 7.673 2.320 1.084
37 HA LEU 18 HA LEU 18 5.384 3.184 -0.387
38 HB2 LEU 18 1HB LEU 18 7.905 1.724 -1.243
39 HB3 LEU 18 2HB LEU 18 6.694 2.332 -2.377
40 HG LEU 18 HG LEU 18 8.272 4.068 -0.447
41 HD11 LEU 18 1HD1 LEU 18 9.524 4.758 -2.442
42 HD12 LEU 18 1HD2 LEU 18 9.722 3.022 -2.109
43 HD13 LEU 18 1HD3 LEU 18 8.637 3.560 -3.413
44 HD21 LEU 18 2HD1 LEU 18 7.371 5.902 -1.838
45 HD22 LEU 18 2HD2 LEU 18 6.454 4.719 -2.802
46 HD23 LEU 18 2HD3 LEU 18 6.058 4.965 -1.084
47 H GLY 19 H GLY 19 6.729 -0.044 0.272
48 HA2 GLY 19 1HA GLY 19 4.790 -1.494 -1.290
49 HA3 GLY 19 2HA GLY 19 5.805 -2.157 -0.023
50 H LYS 20 H LYS 20 4.930 -0.352 2.070
51 HA LYS 20 HA LYS 20 2.577 -1.701 2.985
52 HB2 LYS 20 1HB LYS 20 3.938 0.855 3.910
53 HB3 LYS 20 2HB LYS 20 2.562 0.140 4.739
54 HG2 LYS 20 1HG LYS 20 3.856 -1.903 5.170
55 HG3 LYS 20 2HG LYS 20 5.236 -1.219 4.301
56 HD2 LYS 20 1HD LYS 20 5.325 0.650 5.932
57 HD3 LYS 20 2HD LYS 20 3.963 -0.062 6.808
58 HE2 LYS 20 1HE LYS 20 5.296 -2.098 7.236
59 HE3 LYS 20 2HE LYS 20 6.655 -1.401 6.350
60 HZ1 LYS 20 1HZ LYS 20 6.895 -1.112 8.705
61 HZ2 LYS 20 2HZ LYS 20 6.738 0.360 7.977
62 HZ3 LYS 20 3HZ LYS 20 5.469 -0.291 8.806
63 H MET 21 H MET 21 3.095 1.463 1.457
64 HA MET 21 HA MET 21 0.341 2.278 1.611
65 HB2 MET 21 1HB MET 21 2.659 3.118 -0.158
66 HB3 MET 21 2HB MET 21 1.062 3.837 -0.300
67 HG2 MET 21 1HG MET 21 2.856 3.899 2.142
68 HG3 MET 21 2HG MET 21 2.495 5.241 1.053
69 HE1 MET 21 1HE MET 21 -1.312 5.879 1.765
70 HE2 MET 21 2HE MET 21 0.128 6.414 0.863
71 HE3 MET 21 3HE MET 21 -0.619 4.838 0.497
72 H ALA 22 H ALA 22 2.231 0.496 -0.800
73 HA ALA 22 HA ALA 22 0.215 0.276 -2.777
74 HB1 ALA 22 1HB ALA 22 1.420 -1.760 -3.498
75 HB2 ALA 22 2HB ALA 22 2.538 -0.419 -3.157
76 HB3 ALA 22 3HB ALA 22 2.347 -1.739 -1.981
77 H ASP 23 H ASP 23 0.880 -1.757 0.074
78 HA ASP 23 HA ASP 23 -1.311 -3.555 -0.377
79 HB2 ASP 23 1HB ASP 23 0.271 -2.798 2.101
80 HB3 ASP 23 2HB ASP 23 -1.040 -3.969 2.151
81 H TRP 24 H TRP 24 -1.007 -0.457 1.303
82 HA TRP 24 HA TRP 24 -3.585 -0.403 2.497
83 HB2 TRP 24 1HB TRP 24 -1.803 1.237 3.007
84 HB3 TRP 24 2HB TRP 24 -1.927 1.895 1.382
85 HD1 TRP 24 1HD TRP 24 -4.045 1.591 4.622
86 HE1 TRP 24 1HE TRP 24 -5.728 3.553 4.691
87 HE3 TRP 24 3HE TRP 24 -3.078 3.619 0.012
88 HZ2 TRP 24 2HZ TRP 24 -6.517 5.671 3.000
89 HZ3 TRP 24 3HZ TRP 24 -4.334 5.614 -0.704
90 HH2 TRP 24 2HH TRP 24 -6.026 6.631 0.764
91 H PHE 25 H PHE 25 -2.477 0.636 -0.731
92 HA PHE 25 HA PHE 25 -5.054 1.463 -1.665
93 HB2 PHE 25 1HB PHE 25 -2.501 0.585 -3.031
94 HB3 PHE 25 2HB PHE 25 -3.954 0.898 -3.968
95 HD1 PHE 25 1HD PHE 25 -1.030 2.316 -2.668
96 HD2 PHE 25 2HD PHE 25 -5.139 3.211 -3.418
97 HE1 PHE 25 1HE PHE 25 -0.501 4.731 -2.674
98 HE2 PHE 25 2HE PHE 25 -4.614 5.626 -3.429
99 HZ PHE 25 HZ PHE 25 -2.293 6.386 -3.055
100 H ARG 26 H ARG 26 -3.377 -1.659 -1.634
101 HA ARG 26 HA ARG 26 -5.325 -3.062 -3.209
102 HB2 ARG 26 1HB ARG 26 -3.296 -3.988 -1.154
103 HB3 ARG 26 2HB ARG 26 -4.337 -5.100 -2.032
104 HG2 ARG 26 1HG ARG 26 -3.341 -4.509 -4.129
105 HG3 ARG 26 2HG ARG 26 -2.444 -3.164 -3.384
106 HD2 ARG 26 1HD ARG 26 -1.153 -4.701 -2.074
107 HD3 ARG 26 2HD ARG 26 -2.107 -6.071 -2.687
108 HE ARG 26 HE ARG 26 -1.192 -5.061 -4.980
109 HH11 ARG 26 1HH1 ARG 26 0.471 -5.638 -1.939
110 HH12 ARG 26 1HH2 ARG 26 2.019 -5.932 -2.698
111 HH21 ARG 26 2HH1 ARG 26 0.824 -5.446 -5.953
112 HH22 ARG 26 2HH2 ARG 26 2.220 -5.824 -4.970
113 H GLN 27 H GLN 27 -5.050 -2.302 0.232
114 HA GLN 27 HA GLN 27 -7.214 -3.911 1.152
115 HB2 GLN 27 1HB GLN 27 -5.593 -2.746 2.644
116 HB3 GLN 27 2HB GLN 27 -6.284 -1.199 2.177
117 HG2 GLN 27 1HG GLN 27 -8.411 -1.787 3.178
118 HG3 GLN 27 2HG GLN 27 -7.796 -3.418 3.569
119 HE21 GLN 27 2HE1 GLN 27 -7.473 -0.625 6.300
120 HE22 GLN 27 2HE2 GLN 27 -8.659 -0.738 5.043
121 H THR 28 H THR 28 -7.120 -0.611 -0.178
122 HA THR 28 HA THR 28 -9.961 -0.182 0.138
123 HB THR 28 HB THR 28 -7.934 1.216 -1.659
124 HG1 THR 28 1HG THR 28 -7.426 1.591 0.467
125 HG21 THR 28 2HG1 THR 28 -9.606 3.022 -1.765
126 HG22 THR 28 2HG2 THR 28 -10.253 1.516 -2.458
127 HG23 THR 28 2HG3 THR 28 -10.744 2.028 -0.827
128 H LEU 29 H LEU 29 -7.896 -1.332 -2.522
129 HA LEU 29 HA LEU 29 -10.193 -1.147 -4.371
130 HB2 LEU 29 1HB LEU 29 -7.268 -1.837 -4.829
131 HB3 LEU 29 2HB LEU 29 -8.487 -1.725 -6.103
132 HG LEU 29 HG LEU 29 -7.609 0.575 -4.320
133 HD11 LEU 29 1HD1 LEU 29 -6.482 1.394 -6.340
134 HD12 LEU 29 1HD2 LEU 29 -5.828 -0.173 -5.813
135 HD13 LEU 29 1HD3 LEU 29 -6.940 -0.094 -7.199
136 HD21 LEU 29 2HD1 LEU 29 -8.900 1.933 -5.932
137 HD22 LEU 29 2HD2 LEU 29 -9.392 0.451 -6.787
138 HD23 LEU 29 2HD3 LEU 29 -9.943 0.741 -5.120
139 H LEU 30 H LEU 30 -7.908 -3.584 -3.115
140 HA LEU 30 HA LEU 30 -9.462 -5.667 -4.572
141 HB2 LEU 30 1HB LEU 30 -6.672 -5.768 -3.373
142 HB3 LEU 30 2HB LEU 30 -7.462 -7.089 -4.239
143 HG LEU 30 HG LEU 30 -6.673 -4.408 -5.432
144 HD11 LEU 30 1HD1 LEU 30 -5.001 -5.737 -6.642
145 HD12 LEU 30 1HD2 LEU 30 -4.759 -5.821 -4.882
146 HD13 LEU 30 1HD3 LEU 30 -5.505 -7.187 -5.745
147 HD21 LEU 30 2HD1 LEU 30 -7.319 -5.471 -7.568
148 HD22 LEU 30 2HD2 LEU 30 -7.856 -6.919 -6.684
149 HD23 LEU 30 2HD3 LEU 30 -8.706 -5.372 -6.456
150 H LYS 31 H LYS 31 -9.619 -4.273 -1.694
151 HA LYS 31 HA LYS 31 -10.247 -4.913 0.427
152 HB2 LYS 31 1HB LYS 31 -11.226 -7.400 -1.032
153 HB3 LYS 31 2HB LYS 31 -11.686 -6.930 0.598
154 HG2 LYS 31 1HG LYS 31 -12.706 -4.852 -0.309
155 HG3 LYS 31 2HG LYS 31 -12.294 -5.393 -1.943
156 HD2 LYS 31 1HD LYS 31 -13.657 -7.441 -1.595
157 HD3 LYS 31 2HD LYS 31 -14.092 -6.864 0.019
158 HE2 LYS 31 1HE LYS 31 -15.157 -4.872 -0.967
159 HE3 LYS 31 2HE LYS 31 -14.698 -5.412 -2.583
160 HZ1 LYS 31 1HZ LYS 31 -16.955 -5.985 -2.070
161 HZ2 LYS 31 2HZ LYS 31 -16.062 -7.360 -2.256
162 HZ3 LYS 31 3HZ LYS 31 -16.492 -6.853 -0.745
163 H LYS 32 H LYS 32 -7.565 -5.368 -0.191
164 HA LYS 32 HA LYS 32 -7.040 -7.850 1.388
165 HB2 LYS 32 1HB LYS 32 -5.228 -6.357 -0.550
166 HB3 LYS 32 2HB LYS 32 -4.725 -7.722 0.435
167 HG2 LYS 32 1HG LYS 32 -6.396 -9.152 -0.706
168 HG3 LYS 32 2HG LYS 32 -6.858 -7.776 -1.718
169 HD2 LYS 32 1HD LYS 32 -4.546 -7.635 -2.586
170 HD3 LYS 32 2HD LYS 32 -4.082 -9.009 -1.572
171 HE2 LYS 32 1HE LYS 32 -5.766 -10.417 -2.754
172 HE3 LYS 32 2HE LYS 32 -6.153 -9.046 -3.799
173 HZ1 LYS 32 1HZ LYS 32 -4.592 -10.527 -4.829
174 HZ2 LYS 32 2HZ LYS 32 -3.879 -9.064 -4.566
175 HZ3 LYS 32 3HZ LYS 32 -3.518 -10.343 -3.591
176 HA PRO 33 HA PRO 33 -6.414 -4.773 4.534
177 HB2 PRO 33 1HB PRO 33 -5.555 -7.350 5.921
178 HB3 PRO 33 2HB PRO 33 -6.539 -6.026 6.558
179 HG2 PRO 33 1HG PRO 33 -7.783 -8.227 5.736
180 HG3 PRO 33 2HG PRO 33 -8.459 -6.657 5.294
181 HD2 PRO 33 1HD PRO 33 -6.800 -8.573 3.618
182 HD3 PRO 33 2HD PRO 33 -8.228 -7.572 3.133
183 H LYS 34 H LYS 34 -4.613 -3.606 4.924
184 HA LYS 34 HA LYS 34 -2.068 -4.328 3.862
185 HB2 LYS 34 1HB LYS 34 -2.796 -1.986 4.261
186 HB3 LYS 34 2HB LYS 34 -2.738 -2.263 5.997
187 HG2 LYS 34 1HG LYS 34 -0.306 -2.678 5.850
188 HG3 LYS 34 2HG LYS 34 -0.370 -2.384 4.107
189 HD2 LYS 34 1HD LYS 34 0.340 -0.336 5.102
190 HD3 LYS 34 2HD LYS 34 -1.351 -0.097 4.636
191 HE2 LYS 34 1HE LYS 34 -2.087 -0.489 6.928
192 HE3 LYS 34 2HE LYS 34 -0.441 -0.890 7.426
193 HZ1 LYS 34 1HZ LYS 34 -1.013 1.355 7.996
194 HZ2 LYS 34 2HZ LYS 34 0.208 1.357 6.887
195 HZ3 LYS 34 3HZ LYS 34 -1.330 1.732 6.423
196 H LYS 35 H LYS 35 -0.585 -5.671 4.544
197 HA LYS 35 HA LYS 35 -0.318 -6.107 7.481
198 HB2 LYS 35 1HB LYS 35 -0.329 -8.258 5.326
199 HB3 LYS 35 2HB LYS 35 0.159 -8.526 6.994
200 HG2 LYS 35 1HG LYS 35 -2.114 -7.880 7.749
201 HG3 LYS 35 2HG LYS 35 -2.596 -7.672 6.060
202 HD2 LYS 35 1HD LYS 35 -2.035 -10.050 5.618
203 HD3 LYS 35 2HD LYS 35 -1.591 -10.251 7.319
204 HE2 LYS 35 1HE LYS 35 -3.899 -9.640 7.985
205 HE3 LYS 35 2HE LYS 35 -4.340 -9.461 6.285
206 HZ1 LYS 35 1HZ LYS 35 -4.967 -11.597 7.139
207 HZ2 LYS 35 2HZ LYS 35 -3.822 -11.783 5.967
208 HZ3 LYS 35 3HZ LYS 35 -3.411 -11.949 7.556
Start of MODEL 12
1 H1 LYS 15 1H LYS 15 8.609 -5.696 5.039
2 H2 LYS 15 2H LYS 15 9.853 -4.646 5.168
3 H3 LYS 15 3H LYS 15 8.453 -4.354 5.954
4 HA LYS 15 HA LYS 15 8.834 -4.404 3.068
5 HB2 LYS 15 1HB LYS 15 6.368 -3.891 4.774
6 HB3 LYS 15 2HB LYS 15 6.470 -3.490 3.065
7 HG2 LYS 15 1HG LYS 15 6.843 -5.870 2.524
8 HG3 LYS 15 2HG LYS 15 6.734 -6.271 4.244
9 HD2 LYS 15 1HD LYS 15 4.431 -5.461 4.332
10 HD3 LYS 15 2HD LYS 15 4.529 -4.910 2.652
11 HE2 LYS 15 1HE LYS 15 4.836 -7.219 1.883
12 HE3 LYS 15 2HE LYS 15 4.837 -7.799 3.550
13 HZ1 LYS 15 1HZ LYS 15 2.705 -8.084 2.517
14 HZ2 LYS 15 2HZ LYS 15 2.580 -7.011 3.763
15 HZ3 LYS 15 3HZ LYS 15 2.580 -6.470 2.205
16 H LYS 16 H LYS 16 8.855 -2.418 2.034
17 HA LYS 16 HA LYS 16 9.706 -0.158 3.705
18 HB2 LYS 16 1HB LYS 16 9.383 -0.467 0.695
19 HB3 LYS 16 2HB LYS 16 9.961 0.997 1.477
20 HG2 LYS 16 1HG LYS 16 11.879 -0.265 2.407
21 HG3 LYS 16 2HG LYS 16 11.303 -1.720 1.581
22 HD2 LYS 16 1HD LYS 16 11.515 -0.568 -0.599
23 HD3 LYS 16 2HD LYS 16 12.091 0.887 0.227
24 HE2 LYS 16 1HE LYS 16 14.029 -0.371 1.102
25 HE3 LYS 16 2HE LYS 16 13.453 -1.832 0.294
26 HZ1 LYS 16 1HZ LYS 16 15.132 -0.721 -0.985
27 HZ2 LYS 16 2HZ LYS 16 13.702 -0.698 -1.806
28 HZ3 LYS 16 3HZ LYS 16 14.242 0.666 -1.052
29 HA PRO 17 HA PRO 17 6.046 2.090 4.169
30 HB2 PRO 17 1HB PRO 17 7.500 4.357 2.743
31 HB3 PRO 17 2HB PRO 17 6.563 4.412 4.242
32 HG2 PRO 17 1HG PRO 17 9.213 4.367 4.425
33 HG3 PRO 17 2HG PRO 17 8.272 3.343 5.513
34 HD2 PRO 17 1HD PRO 17 9.757 2.586 2.971
35 HD3 PRO 17 2HD PRO 17 9.645 1.688 4.538
36 H LEU 18 H LEU 18 7.705 2.387 1.023
37 HA LEU 18 HA LEU 18 5.468 3.188 -0.535
38 HB2 LEU 18 1HB LEU 18 7.756 3.266 -1.387
39 HB3 LEU 18 2HB LEU 18 7.890 1.508 -1.275
40 HG LEU 18 HG LEU 18 6.138 1.285 -3.028
41 HD11 LEU 18 1HD1 LEU 18 5.461 3.281 -4.286
42 HD12 LEU 18 1HD2 LEU 18 4.947 3.369 -2.586
43 HD13 LEU 18 1HD3 LEU 18 6.355 4.307 -3.139
44 HD21 LEU 18 2HD1 LEU 18 7.573 2.063 -4.883
45 HD22 LEU 18 2HD2 LEU 18 8.498 3.073 -3.745
46 HD23 LEU 18 2HD3 LEU 18 8.544 1.299 -3.601
47 H GLY 19 H GLY 19 6.758 -0.074 0.166
48 HA2 GLY 19 1HA GLY 19 4.748 -1.500 -1.295
49 HA3 GLY 19 2HA GLY 19 5.776 -2.167 -0.041
50 H LYS 20 H LYS 20 4.953 -0.287 2.031
51 HA LYS 20 HA LYS 20 2.634 -1.626 3.040
52 HB2 LYS 20 1HB LYS 20 4.000 0.968 3.845
53 HB3 LYS 20 2HB LYS 20 2.635 0.291 4.723
54 HG2 LYS 20 1HG LYS 20 3.931 -1.739 5.212
55 HG3 LYS 20 2HG LYS 20 5.301 -1.090 4.299
56 HD2 LYS 20 1HD LYS 20 5.424 0.834 5.856
57 HD3 LYS 20 2HD LYS 20 4.063 0.173 6.773
58 HE2 LYS 20 1HE LYS 20 5.381 -1.861 7.265
59 HE3 LYS 20 2HE LYS 20 6.741 -1.205 6.349
60 HZ1 LYS 20 1HZ LYS 20 6.993 -0.833 8.692
61 HZ2 LYS 20 2HZ LYS 20 6.840 0.613 7.912
62 HZ3 LYS 20 3HZ LYS 20 5.571 -0.001 8.769
63 H MET 21 H MET 21 3.074 1.522 1.443
64 HA MET 21 HA MET 21 0.296 2.265 1.609
65 HB2 MET 21 1HB MET 21 2.587 3.163 -0.168
66 HB3 MET 21 2HB MET 21 0.968 3.836 -0.311
67 HG2 MET 21 1HG MET 21 2.773 3.966 2.119
68 HG3 MET 21 2HG MET 21 2.349 5.291 1.034
69 HE1 MET 21 1HE MET 21 -1.484 5.753 1.778
70 HE2 MET 21 2HE MET 21 -0.084 6.342 0.848
71 HE3 MET 21 3HE MET 21 -0.759 4.728 0.516
72 H ALA 22 H ALA 22 2.222 0.477 -0.760
73 HA ALA 22 HA ALA 22 0.236 0.245 -2.770
74 HB1 ALA 22 1HB ALA 22 1.468 -1.782 -3.471
75 HB2 ALA 22 2HB ALA 22 2.570 -0.430 -3.118
76 HB3 ALA 22 3HB ALA 22 2.376 -1.749 -1.942
77 H ASP 23 H ASP 23 0.883 -1.782 0.092
78 HA ASP 23 HA ASP 23 -1.306 -3.582 -0.378
79 HB2 ASP 23 1HB ASP 23 0.281 -2.837 2.099
80 HB3 ASP 23 2HB ASP 23 -1.047 -3.988 2.160
81 H TRP 24 H TRP 24 -1.000 -0.498 1.336
82 HA TRP 24 HA TRP 24 -3.590 -0.435 2.497
83 HB2 TRP 24 1HB TRP 24 -1.780 1.193 3.010
84 HB3 TRP 24 2HB TRP 24 -1.940 1.876 1.398
85 HD1 TRP 24 1HD TRP 24 -3.763 1.706 4.779
86 HE1 TRP 24 1HE TRP 24 -5.543 3.579 4.873
87 HE3 TRP 24 3HE TRP 24 -3.442 3.338 -0.071
88 HZ2 TRP 24 2HZ TRP 24 -6.643 5.488 3.107
89 HZ3 TRP 24 3HZ TRP 24 -4.888 5.192 -0.806
90 HH2 TRP 24 2HH TRP 24 -6.463 6.256 0.753
91 H PHE 25 H PHE 25 -2.445 0.637 -0.709
92 HA PHE 25 HA PHE 25 -4.984 1.514 -1.669
93 HB2 PHE 25 1HB PHE 25 -2.455 0.542 -3.016
94 HB3 PHE 25 2HB PHE 25 -3.889 0.905 -3.962
95 HD1 PHE 25 1HD PHE 25 -0.908 2.216 -2.760
96 HD2 PHE 25 2HD PHE 25 -5.012 3.265 -3.314
97 HE1 PHE 25 1HE PHE 25 -0.292 4.610 -2.771
98 HE2 PHE 25 2HE PHE 25 -4.401 5.660 -3.327
99 HZ PHE 25 HZ PHE 25 -2.040 6.333 -3.054
100 H ARG 26 H ARG 26 -3.392 -1.661 -1.685
101 HA ARG 26 HA ARG 26 -5.382 -3.009 -3.234
102 HB2 ARG 26 1HB ARG 26 -3.412 -3.988 -1.148
103 HB3 ARG 26 2HB ARG 26 -4.479 -5.069 -2.030
104 HG2 ARG 26 1HG ARG 26 -3.441 -4.523 -4.121
105 HG3 ARG 26 2HG ARG 26 -2.498 -3.214 -3.369
106 HD2 ARG 26 1HD ARG 26 -1.279 -4.790 -2.048
107 HD3 ARG 26 2HD ARG 26 -2.289 -6.126 -2.648
108 HE ARG 26 HE ARG 26 -1.324 -5.192 -4.949
109 HH11 ARG 26 1HH1 ARG 26 0.307 -5.778 -1.893
110 HH12 ARG 26 1HH2 ARG 26 1.846 -6.144 -2.641
111 HH21 ARG 26 2HH1 ARG 26 0.678 -5.668 -5.908
112 HH22 ARG 26 2HH2 ARG 26 2.057 -6.082 -4.913
113 H GLN 27 H GLN 27 -5.124 -2.214 0.197
114 HA GLN 27 HA GLN 27 -7.347 -3.765 1.101
115 HB2 GLN 27 1HB GLN 27 -5.689 -2.669 2.609
116 HB3 GLN 27 2HB GLN 27 -6.323 -1.095 2.152
117 HG2 GLN 27 1HG GLN 27 -8.473 -1.619 3.141
118 HG3 GLN 27 2HG GLN 27 -7.917 -3.274 3.518
119 HE21 GLN 27 2HE1 GLN 27 -7.494 -0.504 6.267
120 HE22 GLN 27 2HE2 GLN 27 -8.673 -0.550 4.998
121 H THR 28 H THR 28 -7.112 -0.566 -0.394
122 HA THR 28 HA THR 28 -9.965 -0.041 0.108
123 HB THR 28 HB THR 28 -9.537 2.135 -0.978
124 HG1 THR 28 1HG THR 28 -7.348 0.775 -1.917
125 HG21 THR 28 2HG1 THR 28 -7.875 3.006 0.620
126 HG22 THR 28 2HG2 THR 28 -8.991 1.871 1.417
127 HG23 THR 28 2HG3 THR 28 -7.348 1.346 0.982
128 H LEU 29 H LEU 29 -7.951 -1.316 -2.403
129 HA LEU 29 HA LEU 29 -10.053 -0.776 -4.442
130 HB2 LEU 29 1HB LEU 29 -7.145 -1.605 -4.736
131 HB3 LEU 29 2HB LEU 29 -8.270 -1.388 -6.081
132 HG LEU 29 HG LEU 29 -7.384 0.800 -4.166
133 HD11 LEU 29 1HD1 LEU 29 -6.107 1.629 -6.092
134 HD12 LEU 29 1HD2 LEU 29 -5.565 0.010 -5.590
135 HD13 LEU 29 1HD3 LEU 29 -6.594 0.197 -7.030
136 HD21 LEU 29 2HD1 LEU 29 -8.512 2.283 -5.790
137 HD22 LEU 29 2HD2 LEU 29 -9.034 0.860 -6.726
138 HD23 LEU 29 2HD3 LEU 29 -9.659 1.121 -5.080
139 H LEU 30 H LEU 30 -8.012 -3.366 -3.093
140 HA LEU 30 HA LEU 30 -9.628 -5.330 -4.653
141 HB2 LEU 30 1HB LEU 30 -6.867 -5.614 -3.415
142 HB3 LEU 30 2HB LEU 30 -7.720 -6.871 -4.313
143 HG LEU 30 HG LEU 30 -6.764 -4.222 -5.454
144 HD11 LEU 30 1HD1 LEU 30 -5.139 -5.621 -6.650
145 HD12 LEU 30 1HD2 LEU 30 -4.936 -5.739 -4.887
146 HD13 LEU 30 1HD3 LEU 30 -5.734 -7.055 -5.781
147 HD21 LEU 30 2HD1 LEU 30 -7.423 -5.226 -7.615
148 HD22 LEU 30 2HD2 LEU 30 -8.050 -6.655 -6.759
149 HD23 LEU 30 2HD3 LEU 30 -8.823 -5.069 -6.528
150 H LYS 31 H LYS 31 -9.756 -3.972 -1.760
151 HA LYS 31 HA LYS 31 -10.434 -4.605 0.349
152 HB2 LYS 31 1HB LYS 31 -11.522 -7.024 -1.146
153 HB3 LYS 31 2HB LYS 31 -11.974 -6.547 0.484
154 HG2 LYS 31 1HG LYS 31 -12.880 -4.413 -0.412
155 HG3 LYS 31 2HG LYS 31 -12.481 -4.958 -2.047
156 HD2 LYS 31 1HD LYS 31 -13.947 -6.939 -1.731
157 HD3 LYS 31 2HD LYS 31 -14.368 -6.355 -0.114
158 HE2 LYS 31 1HE LYS 31 -15.322 -4.303 -1.091
159 HE3 LYS 31 2HE LYS 31 -14.876 -4.851 -2.708
160 HZ1 LYS 31 1HZ LYS 31 -17.164 -5.314 -2.219
161 HZ2 LYS 31 2HZ LYS 31 -16.339 -6.730 -2.411
162 HZ3 LYS 31 3HZ LYS 31 -16.756 -6.217 -0.901
163 H LYS 32 H LYS 32 -7.772 -5.187 -0.260
164 HA LYS 32 HA LYS 32 -7.386 -7.703 1.307
165 HB2 LYS 32 1HB LYS 32 -5.488 -6.298 -0.616
166 HB3 LYS 32 2HB LYS 32 -5.061 -7.692 0.366
167 HG2 LYS 32 1HG LYS 32 -6.799 -9.028 -0.790
168 HG3 LYS 32 2HG LYS 32 -7.185 -7.626 -1.797
169 HD2 LYS 32 1HD LYS 32 -4.864 -7.599 -2.655
170 HD3 LYS 32 2HD LYS 32 -4.475 -9.000 -1.646
171 HE2 LYS 32 1HE LYS 32 -6.222 -10.315 -2.842
172 HE3 LYS 32 2HE LYS 32 -6.536 -8.922 -3.881
173 HZ1 LYS 32 1HZ LYS 32 -5.048 -10.475 -4.912
174 HZ2 LYS 32 2HZ LYS 32 -4.263 -9.049 -4.640
175 HZ3 LYS 32 3HZ LYS 32 -3.970 -10.351 -3.669
176 HA PRO 33 HA PRO 33 -6.626 -4.680 4.471
177 HB2 PRO 33 1HB PRO 33 -5.895 -7.304 5.846
178 HB3 PRO 33 2HB PRO 33 -6.814 -5.937 6.488
179 HG2 PRO 33 1HG PRO 33 -8.162 -8.069 5.651
180 HG3 PRO 33 2HG PRO 33 -8.759 -6.464 5.216
181 HD2 PRO 33 1HD PRO 33 -7.194 -8.451 3.533
182 HD3 PRO 33 2HD PRO 33 -8.566 -7.375 3.050
183 H LYS 34 H LYS 34 -4.775 -3.592 4.847
184 HA LYS 34 HA LYS 34 -2.261 -4.423 3.810
185 HB2 LYS 34 1HB LYS 34 -2.878 -2.054 4.226
186 HB3 LYS 34 2HB LYS 34 -2.854 -2.350 5.960
187 HG2 LYS 34 1HG LYS 34 -0.445 -2.872 5.843
188 HG3 LYS 34 2HG LYS 34 -0.469 -2.571 4.100
189 HD2 LYS 34 1HD LYS 34 0.325 -0.563 5.123
190 HD3 LYS 34 2HD LYS 34 -1.341 -0.241 4.617
191 HE2 LYS 34 1HE LYS 34 -2.151 -0.600 6.888
192 HE3 LYS 34 2HE LYS 34 -0.540 -1.083 7.426
193 HZ1 LYS 34 1HZ LYS 34 -1.013 1.185 7.989
194 HZ2 LYS 34 2HZ LYS 34 0.233 1.130 6.910
195 HZ3 LYS 34 3HZ LYS 34 -1.272 1.580 6.410
196 H LYS 35 H LYS 35 -0.919 -5.915 4.470
197 HA LYS 35 HA LYS 35 -0.604 -6.325 7.405
198 HB2 LYS 35 1HB LYS 35 -0.894 -8.507 5.301
199 HB3 LYS 35 2HB LYS 35 -0.364 -8.790 6.954
200 HG2 LYS 35 1HG LYS 35 -2.538 -7.914 7.781
201 HG3 LYS 35 2HG LYS 35 -3.066 -7.704 6.106
202 HD2 LYS 35 1HD LYS 35 -2.743 -10.133 5.709
203 HD3 LYS 35 2HD LYS 35 -2.246 -10.334 7.395
204 HE2 LYS 35 1HE LYS 35 -4.459 -9.494 8.138
205 HE3 LYS 35 2HE LYS 35 -4.955 -9.326 6.452
206 HZ1 LYS 35 1HZ LYS 35 -5.732 -11.372 7.400
207 HZ2 LYS 35 2HZ LYS 35 -4.659 -11.692 6.188
208 HZ3 LYS 35 3HZ LYS 35 -4.196 -11.849 7.764
Start of MODEL 13
1 H1 LYS 15 1H LYS 15 8.616 -5.780 4.886
2 H2 LYS 15 2H LYS 15 9.866 -4.735 4.997
3 H3 LYS 15 3H LYS 15 8.482 -4.441 5.810
4 HA LYS 15 HA LYS 15 8.809 -4.480 2.917
5 HB2 LYS 15 1HB LYS 15 6.377 -3.967 4.671
6 HB3 LYS 15 2HB LYS 15 6.448 -3.557 2.962
7 HG2 LYS 15 1HG LYS 15 6.801 -5.934 2.402
8 HG3 LYS 15 2HG LYS 15 6.726 -6.346 4.121
9 HD2 LYS 15 1HD LYS 15 4.428 -5.531 4.261
10 HD3 LYS 15 2HD LYS 15 4.493 -4.969 2.584
11 HE2 LYS 15 1HE LYS 15 4.779 -7.274 1.794
12 HE3 LYS 15 2HE LYS 15 4.809 -7.864 3.458
13 HZ1 LYS 15 1HZ LYS 15 2.658 -8.136 2.463
14 HZ2 LYS 15 2HZ LYS 15 2.560 -7.070 3.718
15 HZ3 LYS 15 3HZ LYS 15 2.532 -6.520 2.163
16 H LYS 16 H LYS 16 8.862 -2.500 1.894
17 HA LYS 16 HA LYS 16 9.762 -0.252 3.540
18 HB2 LYS 16 1HB LYS 16 9.310 -0.541 0.544
19 HB3 LYS 16 2HB LYS 16 9.929 0.916 1.309
20 HG2 LYS 16 1HG LYS 16 11.877 -0.363 2.152
21 HG3 LYS 16 2HG LYS 16 11.258 -1.809 1.344
22 HD2 LYS 16 1HD LYS 16 11.385 -0.647 -0.838
23 HD3 LYS 16 2HD LYS 16 12.005 0.800 -0.029
24 HE2 LYS 16 1HE LYS 16 13.969 -0.476 0.757
25 HE3 LYS 16 2HE LYS 16 13.351 -1.928 -0.033
26 HZ1 LYS 16 1HZ LYS 16 14.982 -0.821 -1.375
27 HZ2 LYS 16 2HZ LYS 16 13.519 -0.784 -2.137
28 HZ3 LYS 16 3HZ LYS 16 14.098 0.572 -1.398
29 HA PRO 17 HA PRO 17 6.139 2.019 4.168
30 HB2 PRO 17 1HB PRO 17 7.558 4.293 2.716
31 HB3 PRO 17 2HB PRO 17 6.683 4.334 4.251
32 HG2 PRO 17 1HG PRO 17 9.337 4.265 4.328
33 HG3 PRO 17 2HG PRO 17 8.432 3.233 5.439
34 HD2 PRO 17 1HD PRO 17 9.804 2.500 2.826
35 HD3 PRO 17 2HD PRO 17 9.754 1.584 4.386
36 H LEU 18 H LEU 18 7.685 2.324 0.966
37 HA LEU 18 HA LEU 18 5.351 3.197 -0.449
38 HB2 LEU 18 1HB LEU 18 7.847 1.728 -1.361
39 HB3 LEU 18 2HB LEU 18 6.604 2.322 -2.465
40 HG LEU 18 HG LEU 18 8.242 4.080 -0.603
41 HD11 LEU 18 1HD1 LEU 18 9.427 4.748 -2.646
42 HD12 LEU 18 1HD2 LEU 18 9.637 3.015 -2.302
43 HD13 LEU 18 1HD3 LEU 18 8.509 3.540 -3.574
44 HD21 LEU 18 2HD1 LEU 18 7.296 5.898 -1.985
45 HD22 LEU 18 2HD2 LEU 18 6.347 4.707 -2.905
46 HD23 LEU 18 2HD3 LEU 18 6.008 4.971 -1.178
47 H GLY 19 H GLY 19 6.710 -0.016 0.238
48 HA2 GLY 19 1HA GLY 19 4.755 -1.490 -1.283
49 HA3 GLY 19 2HA GLY 19 5.797 -2.137 -0.030
50 H LYS 20 H LYS 20 4.938 -0.294 2.052
51 HA LYS 20 HA LYS 20 2.612 -1.649 3.031
52 HB2 LYS 20 1HB LYS 20 3.962 0.940 3.879
53 HB3 LYS 20 2HB LYS 20 2.601 0.237 4.741
54 HG2 LYS 20 1HG LYS 20 3.911 -1.784 5.212
55 HG3 LYS 20 2HG LYS 20 5.275 -1.122 4.301
56 HD2 LYS 20 1HD LYS 20 5.386 0.795 5.875
57 HD3 LYS 20 2HD LYS 20 4.041 0.104 6.795
58 HE2 LYS 20 1HE LYS 20 5.390 -1.916 7.255
59 HE3 LYS 20 2HE LYS 20 6.731 -1.238 6.329
60 HZ1 LYS 20 1HZ LYS 20 7.009 -0.883 8.671
61 HZ2 LYS 20 2HZ LYS 20 6.831 0.568 7.906
62 HZ3 LYS 20 3HZ LYS 20 5.579 -0.066 8.773
63 H MET 21 H MET 21 3.072 1.507 1.457
64 HA MET 21 HA MET 21 0.301 2.267 1.602
65 HB2 MET 21 1HB MET 21 2.603 3.135 -0.174
66 HB3 MET 21 2HB MET 21 0.991 3.818 -0.327
67 HG2 MET 21 1HG MET 21 2.786 3.951 2.110
68 HG3 MET 21 2HG MET 21 2.383 5.272 1.010
69 HE1 MET 21 1HE MET 21 -1.448 5.782 1.730
70 HE2 MET 21 2HE MET 21 -0.038 6.349 0.804
71 HE3 MET 21 3HE MET 21 -0.728 4.740 0.480
72 H ALA 22 H ALA 22 2.224 0.476 -0.771
73 HA ALA 22 HA ALA 22 0.241 0.234 -2.775
74 HB1 ALA 22 1HB ALA 22 1.463 -1.804 -3.462
75 HB2 ALA 22 2HB ALA 22 2.572 -0.457 -3.113
76 HB3 ALA 22 3HB ALA 22 2.367 -1.769 -1.930
77 H ASP 23 H ASP 23 0.877 -1.799 0.087
78 HA ASP 23 HA ASP 23 -1.326 -3.581 -0.383
79 HB2 ASP 23 1HB ASP 23 0.274 -2.858 2.092
80 HB3 ASP 23 2HB ASP 23 -1.061 -4.000 2.151
81 H TRP 24 H TRP 24 -0.998 -0.495 1.312
82 HA TRP 24 HA TRP 24 -3.582 -0.424 2.497
83 HB2 TRP 24 1HB TRP 24 -1.743 1.192 2.988
84 HB3 TRP 24 2HB TRP 24 -1.944 1.891 1.388
85 HD1 TRP 24 1HD TRP 24 -3.726 1.645 4.796
86 HE1 TRP 24 1HE TRP 24 -5.492 3.527 4.957
87 HE3 TRP 24 3HE TRP 24 -3.428 3.416 -0.008
88 HZ2 TRP 24 2HZ TRP 24 -6.591 5.493 3.254
89 HZ3 TRP 24 3HZ TRP 24 -4.866 5.300 -0.679
90 HH2 TRP 24 2HH TRP 24 -6.423 6.329 0.923
91 H PHE 25 H PHE 25 -2.444 0.592 -0.726
92 HA PHE 25 HA PHE 25 -5.007 1.494 -1.648
93 HB2 PHE 25 1HB PHE 25 -2.469 0.596 -3.033
94 HB3 PHE 25 2HB PHE 25 -3.913 0.979 -3.956
95 HD1 PHE 25 1HD PHE 25 -0.937 2.274 -2.707
96 HD2 PHE 25 2HD PHE 25 -5.048 3.306 -3.247
97 HE1 PHE 25 1HE PHE 25 -0.342 4.673 -2.641
98 HE2 PHE 25 2HE PHE 25 -4.456 5.705 -3.184
99 HZ PHE 25 HZ PHE 25 -2.102 6.388 -2.879
100 H ARG 26 H ARG 26 -3.382 -1.654 -1.654
101 HA ARG 26 HA ARG 26 -5.340 -3.017 -3.243
102 HB2 ARG 26 1HB ARG 26 -3.371 -3.977 -1.148
103 HB3 ARG 26 2HB ARG 26 -4.427 -5.071 -2.029
104 HG2 ARG 26 1HG ARG 26 -3.390 -4.515 -4.121
105 HG3 ARG 26 2HG ARG 26 -2.455 -3.203 -3.364
106 HD2 ARG 26 1HD ARG 26 -1.226 -4.772 -2.049
107 HD3 ARG 26 2HD ARG 26 -2.236 -6.113 -2.637
108 HE ARG 26 HE ARG 26 -1.281 -5.189 -4.947
109 HH11 ARG 26 1HH1 ARG 26 0.361 -5.759 -1.895
110 HH12 ARG 26 1HH2 ARG 26 1.897 -6.126 -2.646
111 HH21 ARG 26 2HH1 ARG 26 0.719 -5.667 -5.911
112 HH22 ARG 26 2HH2 ARG 26 2.101 -6.074 -4.919
113 H GLN 27 H GLN 27 -5.071 -2.329 0.225
114 HA GLN 27 HA GLN 27 -7.369 -3.799 1.061
115 HB2 GLN 27 1HB GLN 27 -5.701 -2.809 2.619
116 HB3 GLN 27 2HB GLN 27 -6.248 -1.198 2.180
117 HG2 GLN 27 1HG GLN 27 -8.448 -1.641 3.110
118 HG3 GLN 27 2HG GLN 27 -7.964 -3.319 3.487
119 HE21 GLN 27 2HE1 GLN 27 -7.537 -0.657 6.307
120 HE22 GLN 27 2HE2 GLN 27 -8.718 -0.694 5.040
121 H THR 28 H THR 28 -6.995 -0.483 -0.177
122 HA THR 28 HA THR 28 -9.766 0.212 0.180
123 HB THR 28 HB THR 28 -7.650 1.413 -1.658
124 HG1 THR 28 1HG THR 28 -7.075 1.693 0.478
125 HG21 THR 28 2HG1 THR 28 -9.134 3.379 -1.713
126 HG22 THR 28 2HG2 THR 28 -9.946 1.951 -2.399
127 HG23 THR 28 2HG3 THR 28 -10.346 2.498 -0.755
128 H LEU 29 H LEU 29 -7.906 -1.165 -2.517
129 HA LEU 29 HA LEU 29 -10.250 -0.746 -4.289
130 HB2 LEU 29 1HB LEU 29 -7.374 -1.503 -4.917
131 HB3 LEU 29 2HB LEU 29 -8.643 -1.249 -6.119
132 HG LEU 29 HG LEU 29 -7.568 0.876 -4.231
133 HD11 LEU 29 1HD1 LEU 29 -6.523 1.793 -6.253
134 HD12 LEU 29 1HD2 LEU 29 -5.913 0.163 -5.879
135 HD13 LEU 29 1HD3 LEU 29 -7.099 0.392 -7.186
136 HD21 LEU 29 2HD1 LEU 29 -8.884 2.403 -5.661
137 HD22 LEU 29 2HD2 LEU 29 -9.495 1.011 -6.586
138 HD23 LEU 29 2HD3 LEU 29 -9.933 1.201 -4.872
139 H LEU 30 H LEU 30 -8.028 -3.284 -3.153
140 HA LEU 30 HA LEU 30 -9.636 -5.277 -4.678
141 HB2 LEU 30 1HB LEU 30 -6.853 -5.494 -3.474
142 HB3 LEU 30 2HB LEU 30 -7.680 -6.767 -4.379
143 HG LEU 30 HG LEU 30 -6.808 -4.078 -5.495
144 HD11 LEU 30 1HD1 LEU 30 -5.171 -5.421 -6.737
145 HD12 LEU 30 1HD2 LEU 30 -4.939 -5.561 -4.978
146 HD13 LEU 30 1HD3 LEU 30 -5.720 -6.881 -5.881
147 HD21 LEU 30 2HD1 LEU 30 -7.478 -5.064 -7.661
148 HD22 LEU 30 2HD2 LEU 30 -8.060 -6.520 -6.818
149 HD23 LEU 30 2HD3 LEU 30 -8.865 -4.955 -6.551
150 H LYS 31 H LYS 31 -9.749 -3.963 -1.757
151 HA LYS 31 HA LYS 31 -10.412 -4.646 0.340
152 HB2 LYS 31 1HB LYS 31 -11.491 -7.037 -1.207
153 HB3 LYS 31 2HB LYS 31 -11.940 -6.602 0.436
154 HG2 LYS 31 1HG LYS 31 -12.862 -4.452 -0.405
155 HG3 LYS 31 2HG LYS 31 -12.464 -4.955 -2.054
156 HD2 LYS 31 1HD LYS 31 -13.917 -6.953 -1.782
157 HD3 LYS 31 2HD LYS 31 -14.337 -6.411 -0.150
158 HE2 LYS 31 1HE LYS 31 -15.307 -4.341 -1.073
159 HE3 LYS 31 2HE LYS 31 -14.862 -4.847 -2.706
160 HZ1 LYS 31 1HZ LYS 31 -17.146 -5.338 -2.221
161 HZ2 LYS 31 2HZ LYS 31 -16.313 -6.742 -2.450
162 HZ3 LYS 31 3HZ LYS 31 -16.729 -6.269 -0.925
163 H LYS 32 H LYS 32 -7.746 -5.213 -0.309
164 HA LYS 32 HA LYS 32 -7.344 -7.742 1.231
165 HB2 LYS 32 1HB LYS 32 -5.455 -6.301 -0.673
166 HB3 LYS 32 2HB LYS 32 -5.023 -7.709 0.287
167 HG2 LYS 32 1HG LYS 32 -6.751 -9.034 -0.890
168 HG3 LYS 32 2HG LYS 32 -7.149 -7.618 -1.872
169 HD2 LYS 32 1HD LYS 32 -4.827 -7.562 -2.731
170 HD3 LYS 32 2HD LYS 32 -4.433 -8.982 -1.752
171 HE2 LYS 32 1HE LYS 32 -6.176 -10.277 -2.974
172 HE3 LYS 32 2HE LYS 32 -6.499 -8.864 -3.980
173 HZ1 LYS 32 1HZ LYS 32 -5.007 -10.385 -5.050
174 HZ2 LYS 32 2HZ LYS 32 -4.229 -8.963 -4.748
175 HZ3 LYS 32 3HZ LYS 32 -3.927 -10.285 -3.809
176 HA PRO 33 HA PRO 33 -6.610 -4.744 4.425
177 HB2 PRO 33 1HB PRO 33 -5.869 -7.376 5.781
178 HB3 PRO 33 2HB PRO 33 -6.799 -6.018 6.431
179 HG2 PRO 33 1HG PRO 33 -8.131 -8.150 5.570
180 HG3 PRO 33 2HG PRO 33 -8.735 -6.546 5.148
181 HD2 PRO 33 1HD PRO 33 -7.155 -8.511 3.453
182 HD3 PRO 33 2HD PRO 33 -8.531 -7.436 2.975
183 H LYS 34 H LYS 34 -4.768 -3.647 4.810
184 HA LYS 34 HA LYS 34 -2.242 -4.460 3.785
185 HB2 LYS 34 1HB LYS 34 -2.875 -2.097 4.206
186 HB3 LYS 34 2HB LYS 34 -2.861 -2.397 5.938
187 HG2 LYS 34 1HG LYS 34 -0.448 -2.903 5.839
188 HG3 LYS 34 2HG LYS 34 -0.461 -2.603 4.095
189 HD2 LYS 34 1HD LYS 34 0.314 -0.591 5.127
190 HD3 LYS 34 2HD LYS 34 -1.347 -0.278 4.601
191 HE2 LYS 34 1HE LYS 34 -2.179 -0.638 6.865
192 HE3 LYS 34 2HE LYS 34 -0.571 -1.110 7.420
193 HZ1 LYS 34 1HZ LYS 34 -1.065 1.156 7.974
194 HZ2 LYS 34 2HZ LYS 34 0.193 1.106 6.908
195 HZ3 LYS 34 3HZ LYS 34 -1.310 1.547 6.391
196 H LYS 35 H LYS 35 -0.908 -5.959 4.447
197 HA LYS 35 HA LYS 35 -0.598 -6.369 7.383
198 HB2 LYS 35 1HB LYS 35 -0.883 -8.550 5.278
199 HB3 LYS 35 2HB LYS 35 -0.359 -8.832 6.933
200 HG2 LYS 35 1HG LYS 35 -2.535 -7.956 7.752
201 HG3 LYS 35 2HG LYS 35 -3.057 -7.750 6.074
202 HD2 LYS 35 1HD LYS 35 -2.731 -10.179 5.683
203 HD3 LYS 35 2HD LYS 35 -2.240 -10.376 7.371
204 HE2 LYS 35 1HE LYS 35 -4.457 -9.534 8.104
205 HE3 LYS 35 2HE LYS 35 -4.947 -9.373 6.415
206 HZ1 LYS 35 1HZ LYS 35 -5.725 -11.416 7.368
207 HZ2 LYS 35 2HZ LYS 35 -4.647 -11.740 6.162
208 HZ3 LYS 35 3HZ LYS 35 -4.190 -11.891 7.740
Start of MODEL 14
1 H1 LYS 15 1H LYS 15 8.603 -5.672 5.053
2 H2 LYS 15 2H LYS 15 9.896 -4.675 5.047
3 H3 LYS 15 3H LYS 15 8.567 -4.281 5.907
4 HA LYS 15 HA LYS 15 8.749 -4.488 3.008
5 HB2 LYS 15 1HB LYS 15 6.426 -3.760 4.835
6 HB3 LYS 15 2HB LYS 15 6.431 -3.485 3.099
7 HG2 LYS 15 1HG LYS 15 6.669 -5.914 2.713
8 HG3 LYS 15 2HG LYS 15 6.652 -6.185 4.462
9 HD2 LYS 15 1HD LYS 15 4.396 -5.205 4.609
10 HD3 LYS 15 2HD LYS 15 4.412 -4.881 2.869
11 HE2 LYS 15 1HE LYS 15 4.575 -7.285 2.397
12 HE3 LYS 15 2HE LYS 15 4.641 -7.641 4.124
13 HZ1 LYS 15 1HZ LYS 15 2.446 -7.944 3.245
14 HZ2 LYS 15 2HZ LYS 15 2.440 -6.712 4.341
15 HZ3 LYS 15 3HZ LYS 15 2.378 -6.380 2.726
16 H LYS 16 H LYS 16 8.787 -2.557 1.876
17 HA LYS 16 HA LYS 16 9.846 -0.260 3.362
18 HB2 LYS 16 1HB LYS 16 9.274 -0.694 0.405
19 HB3 LYS 16 2HB LYS 16 9.970 0.778 1.066
20 HG2 LYS 16 1HG LYS 16 11.904 -0.521 1.907
21 HG3 LYS 16 2HG LYS 16 11.207 -1.986 1.201
22 HD2 LYS 16 1HD LYS 16 11.292 -0.946 -1.043
23 HD3 LYS 16 2HD LYS 16 11.989 0.519 -0.336
24 HE2 LYS 16 1HE LYS 16 13.938 -0.782 0.448
25 HE3 LYS 16 2HE LYS 16 13.242 -2.251 -0.241
26 HZ1 LYS 16 1HZ LYS 16 14.859 -1.274 -1.697
27 HZ2 LYS 16 2HZ LYS 16 13.370 -1.226 -2.407
28 HZ3 LYS 16 3HZ LYS 16 14.022 0.145 -1.764
29 HA PRO 17 HA PRO 17 6.318 2.142 4.011
30 HB2 PRO 17 1HB PRO 17 7.758 4.307 2.419
31 HB3 PRO 17 2HB PRO 17 6.935 4.440 3.979
32 HG2 PRO 17 1HG PRO 17 9.587 4.287 3.976
33 HG3 PRO 17 2HG PRO 17 8.685 3.333 5.157
34 HD2 PRO 17 1HD PRO 17 9.952 2.447 2.538
35 HD3 PRO 17 2HD PRO 17 9.918 1.598 4.136
36 H LEU 18 H LEU 18 7.763 2.282 0.750
37 HA LEU 18 HA LEU 18 5.396 3.154 -0.614
38 HB2 LEU 18 1HB LEU 18 7.840 1.621 -1.563
39 HB3 LEU 18 2HB LEU 18 6.568 2.201 -2.642
40 HG LEU 18 HG LEU 18 8.294 3.987 -0.892
41 HD11 LEU 18 1HD1 LEU 18 9.417 4.577 -2.994
42 HD12 LEU 18 1HD2 LEU 18 9.614 2.852 -2.605
43 HD13 LEU 18 1HD3 LEU 18 8.449 3.356 -3.853
44 HD21 LEU 18 2HD1 LEU 18 7.328 5.779 -2.293
45 HD22 LEU 18 2HD2 LEU 18 6.330 4.575 -3.144
46 HD23 LEU 18 2HD3 LEU 18 6.056 4.896 -1.415
47 H GLY 19 H GLY 19 6.727 -0.051 0.149
48 HA2 GLY 19 1HA GLY 19 4.708 -1.544 -1.274
49 HA3 GLY 19 2HA GLY 19 5.784 -2.169 -0.039
50 H LYS 20 H LYS 20 5.007 -0.232 2.005
51 HA LYS 20 HA LYS 20 2.720 -1.546 3.119
52 HB2 LYS 20 1HB LYS 20 4.094 1.077 3.810
53 HB3 LYS 20 2HB LYS 20 2.764 0.412 4.748
54 HG2 LYS 20 1HG LYS 20 4.091 -1.589 5.257
55 HG3 LYS 20 2HG LYS 20 5.423 -0.965 4.275
56 HD2 LYS 20 1HD LYS 20 5.581 1.016 5.765
57 HD3 LYS 20 2HD LYS 20 4.269 0.361 6.757
58 HE2 LYS 20 1HE LYS 20 5.639 -1.638 7.252
59 HE3 LYS 20 2HE LYS 20 6.947 -0.992 6.258
60 HZ1 LYS 20 1HZ LYS 20 7.296 -0.546 8.575
61 HZ2 LYS 20 2HZ LYS 20 7.089 0.873 7.760
62 HZ3 LYS 20 3HZ LYS 20 5.867 0.269 8.690
63 H MET 21 H MET 21 3.111 1.574 1.447
64 HA MET 21 HA MET 21 0.326 2.286 1.633
65 HB2 MET 21 1HB MET 21 2.580 3.183 -0.192
66 HB3 MET 21 2HB MET 21 0.954 3.841 -0.309
67 HG2 MET 21 1HG MET 21 2.813 4.017 2.077
68 HG3 MET 21 2HG MET 21 2.343 5.326 0.990
69 HE1 MET 21 1HE MET 21 -1.477 5.737 1.829
70 HE2 MET 21 2HE MET 21 -0.113 6.336 0.854
71 HE3 MET 21 3HE MET 21 -0.770 4.708 0.560
72 H ALA 22 H ALA 22 2.256 0.508 -0.745
73 HA ALA 22 HA ALA 22 0.288 0.222 -2.746
74 HB1 ALA 22 1HB ALA 22 1.503 -1.836 -3.383
75 HB2 ALA 22 2HB ALA 22 2.617 -0.490 -3.046
76 HB3 ALA 22 3HB ALA 22 2.390 -1.779 -1.843
77 H ASP 23 H ASP 23 0.912 -1.823 0.116
78 HA ASP 23 HA ASP 23 -1.279 -3.600 -0.323
79 HB2 ASP 23 1HB ASP 23 0.236 -2.772 2.174
80 HB3 ASP 23 2HB ASP 23 -1.079 -3.938 2.226
81 H TRP 24 H TRP 24 -1.022 -0.486 1.353
82 HA TRP 24 HA TRP 24 -3.613 -0.426 2.496
83 HB2 TRP 24 1HB TRP 24 -1.748 1.225 2.910
84 HB3 TRP 24 2HB TRP 24 -2.078 1.931 1.335
85 HD1 TRP 24 1HD TRP 24 -3.536 1.666 4.873
86 HE1 TRP 24 1HE TRP 24 -5.398 3.439 5.160
87 HE3 TRP 24 3HE TRP 24 -3.836 3.284 0.016
88 HZ2 TRP 24 2HZ TRP 24 -6.789 5.272 3.523
89 HZ3 TRP 24 3HZ TRP 24 -5.454 5.049 -0.558
90 HH2 TRP 24 2HH TRP 24 -6.908 6.034 1.164
91 H PHE 25 H PHE 25 -2.482 0.550 -0.740
92 HA PHE 25 HA PHE 25 -5.095 1.428 -1.615
93 HB2 PHE 25 1HB PHE 25 -2.515 0.747 -3.055
94 HB3 PHE 25 2HB PHE 25 -3.976 1.169 -3.934
95 HD1 PHE 25 1HD PHE 25 -1.033 2.427 -2.550
96 HD2 PHE 25 2HD PHE 25 -5.163 3.394 -3.058
97 HE1 PHE 25 1HE PHE 25 -0.504 4.826 -2.274
98 HE2 PHE 25 2HE PHE 25 -4.637 5.795 -2.786
99 HZ PHE 25 HZ PHE 25 -2.306 6.511 -2.392
100 H ARG 26 H ARG 26 -3.305 -1.615 -1.738
101 HA ARG 26 HA ARG 26 -5.039 -2.987 -3.541
102 HB2 ARG 26 1HB ARG 26 -3.204 -3.933 -1.328
103 HB3 ARG 26 2HB ARG 26 -4.150 -5.056 -2.295
104 HG2 ARG 26 1HG ARG 26 -3.002 -4.430 -4.300
105 HG3 ARG 26 2HG ARG 26 -2.196 -3.072 -3.479
106 HD2 ARG 26 1HD ARG 26 -0.979 -4.590 -2.079
107 HD3 ARG 26 2HD ARG 26 -1.851 -5.976 -2.773
108 HE ARG 26 HE ARG 26 -0.779 -4.924 -4.980
109 HH11 ARG 26 1HH1 ARG 26 0.646 -5.508 -1.822
110 HH12 ARG 26 1HH2 ARG 26 2.255 -5.768 -2.457
111 HH21 ARG 26 2HH1 ARG 26 1.315 -5.264 -5.792
112 HH22 ARG 26 2HH2 ARG 26 2.635 -5.631 -4.704
113 H GLN 27 H GLN 27 -5.119 -2.534 -0.021
114 HA GLN 27 HA GLN 27 -7.482 -4.223 0.283
115 HB2 GLN 27 1HB GLN 27 -5.775 -3.961 2.089
116 HB3 GLN 27 2HB GLN 27 -6.211 -2.265 2.237
117 HG2 GLN 27 1HG GLN 27 -8.433 -2.832 2.980
118 HG3 GLN 27 2HG GLN 27 -8.122 -4.566 2.683
119 HE21 GLN 27 2HE1 GLN 27 -7.136 -2.846 6.191
120 HE22 GLN 27 2HE2 GLN 27 -8.040 -2.042 4.951
121 H THR 28 H THR 28 -6.771 -0.765 0.047
122 HA THR 28 HA THR 28 -9.426 0.065 0.836
123 HB THR 28 HB THR 28 -7.225 1.582 -0.632
124 HG1 THR 28 1HG THR 28 -6.527 1.134 1.409
125 HG21 THR 28 2HG1 THR 28 -8.460 3.599 0.060
126 HG22 THR 28 2HG2 THR 28 -9.455 2.579 -1.007
127 HG23 THR 28 2HG3 THR 28 -9.746 2.581 0.748
128 H LEU 29 H LEU 29 -7.770 -0.321 -2.300
129 HA LEU 29 HA LEU 29 -10.263 0.592 -3.640
130 HB2 LEU 29 1HB LEU 29 -7.441 0.252 -4.717
131 HB3 LEU 29 2HB LEU 29 -8.821 0.863 -5.636
132 HG LEU 29 HG LEU 29 -7.585 2.215 -3.211
133 HD11 LEU 29 1HD1 LEU 29 -6.775 3.852 -4.853
134 HD12 LEU 29 1HD2 LEU 29 -6.111 2.229 -5.158
135 HD13 LEU 29 1HD3 LEU 29 -7.434 2.855 -6.171
136 HD21 LEU 29 2HD1 LEU 29 -9.066 4.088 -3.851
137 HD22 LEU 29 2HD2 LEU 29 -9.758 3.095 -5.157
138 HD23 LEU 29 2HD3 LEU 29 -10.010 2.631 -3.458
139 H LEU 30 H LEU 30 -7.839 -2.022 -3.696
140 HA LEU 30 HA LEU 30 -9.436 -3.484 -5.699
141 HB2 LEU 30 1HB LEU 30 -6.807 -4.166 -4.336
142 HB3 LEU 30 2HB LEU 30 -7.560 -5.110 -5.624
143 HG LEU 30 HG LEU 30 -6.546 -2.257 -5.897
144 HD11 LEU 30 1HD1 LEU 30 -4.771 -3.283 -7.247
145 HD12 LEU 30 1HD2 LEU 30 -4.744 -3.872 -5.568
146 HD13 LEU 30 1HD3 LEU 30 -5.411 -4.898 -6.861
147 HD21 LEU 30 2HD1 LEU 30 -6.956 -2.641 -8.304
148 HD22 LEU 30 2HD2 LEU 30 -7.626 -4.249 -7.934
149 HD23 LEU 30 2HD3 LEU 30 -8.462 -2.783 -7.368
150 H LYS 31 H LYS 31 -9.378 -3.174 -2.363
151 HA LYS 31 HA LYS 31 -10.522 -4.306 -0.718
152 HB2 LYS 31 1HB LYS 31 -11.772 -5.928 -2.966
153 HB3 LYS 31 2HB LYS 31 -12.410 -5.693 -1.344
154 HG2 LYS 31 1HG LYS 31 -12.106 -3.542 -3.460
155 HG3 LYS 31 2HG LYS 31 -13.611 -4.337 -2.979
156 HD2 LYS 31 1HD LYS 31 -13.323 -3.456 -0.673
157 HD3 LYS 31 2HD LYS 31 -11.842 -2.633 -1.185
158 HE2 LYS 31 1HE LYS 31 -13.183 -1.373 -2.884
159 HE3 LYS 31 2HE LYS 31 -14.645 -2.132 -2.250
160 HZ1 LYS 31 1HZ LYS 31 -14.291 0.028 -1.304
161 HZ2 LYS 31 2HZ LYS 31 -14.179 -1.120 -0.125
162 HZ3 LYS 31 3HZ LYS 31 -12.814 -0.410 -0.718
163 H LYS 32 H LYS 32 -7.916 -5.210 -1.533
164 HA LYS 32 HA LYS 32 -8.128 -8.136 -1.017
165 HB2 LYS 32 1HB LYS 32 -5.774 -6.438 -1.940
166 HB3 LYS 32 2HB LYS 32 -5.698 -8.167 -1.630
167 HG2 LYS 32 1HG LYS 32 -7.362 -8.559 -3.419
168 HG3 LYS 32 2HG LYS 32 -7.408 -6.819 -3.740
169 HD2 LYS 32 1HD LYS 32 -4.991 -6.850 -4.271
170 HD3 LYS 32 2HD LYS 32 -4.944 -8.590 -3.948
171 HE2 LYS 32 1HE LYS 32 -6.616 -8.946 -5.762
172 HE3 LYS 32 2HE LYS 32 -6.585 -7.214 -6.108
173 HZ1 LYS 32 1HZ LYS 32 -5.144 -8.433 -7.567
174 HZ2 LYS 32 2HZ LYS 32 -4.249 -7.419 -6.623
175 HZ3 LYS 32 3HZ LYS 32 -4.279 -9.037 -6.300
176 HA PRO 33 HA PRO 33 -7.410 -7.314 3.236
177 HB2 PRO 33 1HB PRO 33 -6.534 -10.227 3.031
178 HB3 PRO 33 2HB PRO 33 -7.551 -9.460 4.258
179 HG2 PRO 33 1HG PRO 33 -8.746 -10.878 2.356
180 HG3 PRO 33 2HG PRO 33 -9.438 -9.318 2.809
181 HD2 PRO 33 1HD PRO 33 -7.711 -10.028 0.409
182 HD3 PRO 33 2HD PRO 33 -9.157 -8.942 0.495
183 H LYS 34 H LYS 34 -5.630 -6.413 4.089
184 HA LYS 34 HA LYS 34 -3.056 -6.572 2.868
185 HB2 LYS 34 1HB LYS 34 -3.809 -4.659 4.256
186 HB3 LYS 34 2HB LYS 34 -3.803 -5.684 5.683
187 HG2 LYS 34 1HG LYS 34 -1.373 -5.989 5.477
188 HG3 LYS 34 2HG LYS 34 -1.367 -4.993 4.015
189 HD2 LYS 34 1HD LYS 34 -2.218 -3.071 5.306
190 HD3 LYS 34 2HD LYS 34 -2.258 -4.064 6.770
191 HE2 LYS 34 1HE LYS 34 0.202 -4.417 6.564
192 HE3 LYS 34 2HE LYS 34 0.218 -3.354 5.154
193 HZ1 LYS 34 1HZ LYS 34 0.823 -2.188 7.146
194 HZ2 LYS 34 2HZ LYS 34 -0.593 -1.581 6.555
195 HZ3 LYS 34 3HZ LYS 34 -0.606 -2.574 7.872
196 H LYS 35 H LYS 35 -1.516 -8.023 2.955
197 HA LYS 35 HA LYS 35 -1.390 -9.802 5.347
198 HB2 LYS 35 1HB LYS 35 -1.117 -10.639 2.432
199 HB3 LYS 35 2HB LYS 35 -0.723 -11.668 3.803
200 HG2 LYS 35 1HG LYS 35 -3.079 -11.532 4.567
201 HG3 LYS 35 2HG LYS 35 -3.461 -10.540 3.153
202 HD2 LYS 35 1HD LYS 35 -2.718 -12.386 1.668
203 HD3 LYS 35 2HD LYS 35 -2.371 -13.379 3.092
204 HE2 LYS 35 1HE LYS 35 -4.750 -13.238 3.766
205 HE3 LYS 35 2HE LYS 35 -5.096 -12.258 2.338
206 HZ1 LYS 35 1HZ LYS 35 -5.634 -14.555 1.984
207 HZ2 LYS 35 2HZ LYS 35 -4.409 -14.109 0.974
208 HZ3 LYS 35 3HZ LYS 35 -4.088 -15.024 2.308
Start of MODEL 15
1 H1 LYS 15 1H LYS 15 8.550 -5.830 4.958
2 H2 LYS 15 2H LYS 15 9.786 -4.777 5.122
3 H3 LYS 15 3H LYS 15 8.379 -4.511 5.904
4 HA LYS 15 HA LYS 15 8.781 -4.491 3.021
5 HB2 LYS 15 1HB LYS 15 6.300 -4.037 4.722
6 HB3 LYS 15 2HB LYS 15 6.410 -3.587 3.026
7 HG2 LYS 15 1HG LYS 15 6.799 -5.947 2.419
8 HG3 LYS 15 2HG LYS 15 6.687 -6.399 4.126
9 HD2 LYS 15 1HD LYS 15 4.379 -5.628 4.233
10 HD3 LYS 15 2HD LYS 15 4.476 -4.995 2.583
11 HE2 LYS 15 1HE LYS 15 4.808 -7.263 1.705
12 HE3 LYS 15 2HE LYS 15 4.803 -7.922 3.343
13 HZ1 LYS 15 1HZ LYS 15 2.680 -8.173 2.286
14 HZ2 LYS 15 2HZ LYS 15 2.540 -7.160 3.581
15 HZ3 LYS 15 3HZ LYS 15 2.544 -6.546 2.050
16 H LYS 16 H LYS 16 8.831 -2.490 2.037
17 HA LYS 16 HA LYS 16 9.667 -0.271 3.766
18 HB2 LYS 16 1HB LYS 16 9.381 -0.512 0.746
19 HB3 LYS 16 2HB LYS 16 9.959 0.930 1.567
20 HG2 LYS 16 1HG LYS 16 11.856 -0.365 2.495
21 HG3 LYS 16 2HG LYS 16 11.281 -1.798 1.630
22 HD2 LYS 16 1HD LYS 16 11.528 -0.601 -0.522
23 HD3 LYS 16 2HD LYS 16 12.104 0.833 0.342
24 HE2 LYS 16 1HE LYS 16 14.022 -0.457 1.214
25 HE3 LYS 16 2HE LYS 16 13.447 -1.896 0.369
26 HZ1 LYS 16 1HZ LYS 16 15.150 -0.770 -0.864
27 HZ2 LYS 16 2HZ LYS 16 13.731 -0.720 -1.703
28 HZ3 LYS 16 3HZ LYS 16 14.269 0.623 -0.913
29 HA PRO 17 HA PRO 17 6.020 1.997 4.229
30 HB2 PRO 17 1HB PRO 17 7.505 4.281 2.862
31 HB3 PRO 17 2HB PRO 17 6.553 4.313 4.352
32 HG2 PRO 17 1HG PRO 17 9.200 4.246 4.562
33 HG3 PRO 17 2HG PRO 17 8.241 3.208 5.622
34 HD2 PRO 17 1HD PRO 17 9.748 2.488 3.081
35 HD3 PRO 17 2HD PRO 17 9.613 1.563 4.629
36 H LEU 18 H LEU 18 7.718 2.346 1.108
37 HA LEU 18 HA LEU 18 5.504 3.183 -0.463
38 HB2 LEU 18 1HB LEU 18 7.801 3.257 -1.287
39 HB3 LEU 18 2HB LEU 18 7.923 1.497 -1.200
40 HG LEU 18 HG LEU 18 6.188 1.312 -2.976
41 HD11 LEU 18 1HD1 LEU 18 5.542 3.331 -4.212
42 HD12 LEU 18 1HD2 LEU 18 5.008 3.399 -2.516
43 HD13 LEU 18 1HD3 LEU 18 6.429 4.334 -3.041
44 HD21 LEU 18 2HD1 LEU 18 7.651 2.106 -4.803
45 HD22 LEU 18 2HD2 LEU 18 8.570 3.092 -3.640
46 HD23 LEU 18 2HD3 LEU 18 8.600 1.317 -3.521
47 H GLY 19 H GLY 19 6.763 -0.098 0.205
48 HA2 GLY 19 1HA GLY 19 4.755 -1.488 -1.295
49 HA3 GLY 19 2HA GLY 19 5.765 -2.180 -0.040
50 H LYS 20 H LYS 20 4.933 -0.311 2.044
51 HA LYS 20 HA LYS 20 2.598 -1.650 3.015
52 HB2 LYS 20 1HB LYS 20 3.973 0.924 3.867
53 HB3 LYS 20 2HB LYS 20 2.595 0.247 4.722
54 HG2 LYS 20 1HG LYS 20 3.871 -1.801 5.196
55 HG3 LYS 20 2HG LYS 20 5.255 -1.147 4.308
56 HD2 LYS 20 1HD LYS 20 5.374 0.752 5.894
57 HD3 LYS 20 2HD LYS 20 3.996 0.090 6.785
58 HE2 LYS 20 1HE LYS 20 5.293 -1.962 7.266
59 HE3 LYS 20 2HE LYS 20 6.668 -1.303 6.376
60 HZ1 LYS 20 1HZ LYS 20 6.894 -0.965 8.725
61 HZ2 LYS 20 2HZ LYS 20 6.762 0.494 7.964
62 HZ3 LYS 20 3HZ LYS 20 5.479 -0.123 8.796
63 H MET 21 H MET 21 3.074 1.511 1.454
64 HA MET 21 HA MET 21 0.303 2.276 1.603
65 HB2 MET 21 1HB MET 21 2.613 3.162 -0.154
66 HB3 MET 21 2HB MET 21 1.003 3.852 -0.303
67 HG2 MET 21 1HG MET 21 2.794 3.951 2.138
68 HG3 MET 21 2HG MET 21 2.389 5.287 1.057
69 HE1 MET 21 1HE MET 21 -1.446 5.776 1.782
70 HE2 MET 21 2HE MET 21 -0.036 6.358 0.862
71 HE3 MET 21 3HE MET 21 -0.723 4.751 0.519
72 H ALA 22 H ALA 22 2.230 0.494 -0.771
73 HA ALA 22 HA ALA 22 0.240 0.269 -2.779
74 HB1 ALA 22 1HB ALA 22 1.470 -1.755 -3.489
75 HB2 ALA 22 2HB ALA 22 2.573 -0.405 -3.135
76 HB3 ALA 22 3HB ALA 22 2.382 -1.727 -1.962
77 H ASP 23 H ASP 23 0.889 -1.759 0.080
78 HA ASP 23 HA ASP 23 -1.300 -3.561 -0.398
79 HB2 ASP 23 1HB ASP 23 0.301 -2.837 2.077
80 HB3 ASP 23 2HB ASP 23 -1.028 -3.987 2.135
81 H TRP 24 H TRP 24 -0.987 -0.477 1.309
82 HA TRP 24 HA TRP 24 -3.563 -0.417 2.502
83 HB2 TRP 24 1HB TRP 24 -1.751 1.220 2.979
84 HB3 TRP 24 2HB TRP 24 -1.938 1.895 1.367
85 HD1 TRP 24 1HD TRP 24 -3.715 1.728 4.775
86 HE1 TRP 24 1HE TRP 24 -5.501 3.595 4.885
87 HE3 TRP 24 3HE TRP 24 -3.463 3.348 -0.085
88 HZ2 TRP 24 2HZ TRP 24 -6.632 5.494 3.128
89 HZ3 TRP 24 3HZ TRP 24 -4.926 5.193 -0.807
90 HH2 TRP 24 2HH TRP 24 -6.486 6.256 0.771
91 H PHE 25 H PHE 25 -2.462 0.648 -0.724
92 HA PHE 25 HA PHE 25 -5.023 1.485 -1.663
93 HB2 PHE 25 1HB PHE 25 -2.498 0.530 -3.036
94 HB3 PHE 25 2HB PHE 25 -3.948 0.886 -3.963
95 HD1 PHE 25 1HD PHE 25 -0.959 2.213 -2.783
96 HD2 PHE 25 2HD PHE 25 -5.072 3.239 -3.319
97 HE1 PHE 25 1HE PHE 25 -0.357 4.610 -2.802
98 HE2 PHE 25 2HE PHE 25 -4.473 5.638 -3.342
99 HZ PHE 25 HZ PHE 25 -2.114 6.323 -3.081
100 H ARG 26 H ARG 26 -3.385 -1.667 -1.675
101 HA ARG 26 HA ARG 26 -5.377 -3.049 -3.194
102 HB2 ARG 26 1HB ARG 26 -3.361 -3.995 -1.137
103 HB3 ARG 26 2HB ARG 26 -4.424 -5.094 -2.004
104 HG2 ARG 26 1HG ARG 26 -3.424 -4.532 -4.109
105 HG3 ARG 26 2HG ARG 26 -2.490 -3.207 -3.370
106 HD2 ARG 26 1HD ARG 26 -1.231 -4.767 -2.065
107 HD3 ARG 26 2HD ARG 26 -2.227 -6.118 -2.655
108 HE ARG 26 HE ARG 26 -1.304 -5.160 -4.966
109 HH11 ARG 26 1HH1 ARG 26 0.370 -5.738 -1.932
110 HH12 ARG 26 1HH2 ARG 26 1.904 -6.081 -2.700
111 HH21 ARG 26 2HH1 ARG 26 0.693 -5.607 -5.951
112 HH22 ARG 26 2HH2 ARG 26 2.088 -6.007 -4.974
113 H GLN 27 H GLN 27 -5.087 -2.228 0.225
114 HA GLN 27 HA GLN 27 -7.264 -3.811 1.175
115 HB2 GLN 27 1HB GLN 27 -5.608 -2.664 2.646
116 HB3 GLN 27 2HB GLN 27 -6.286 -1.110 2.184
117 HG2 GLN 27 1HG GLN 27 -8.411 -1.678 3.205
118 HG3 GLN 27 2HG GLN 27 -7.805 -3.311 3.598
119 HE21 GLN 27 2HE1 GLN 27 -7.405 -0.465 6.284
120 HE22 GLN 27 2HE2 GLN 27 -8.589 -0.545 5.022
121 H THR 28 H THR 28 -7.116 -0.626 -0.358
122 HA THR 28 HA THR 28 -9.973 -0.157 0.170
123 HB THR 28 HB THR 28 -9.605 2.015 -0.946
124 HG1 THR 28 1HG THR 28 -7.386 0.690 -1.882
125 HG21 THR 28 2HG1 THR 28 -7.941 2.940 0.619
126 HG22 THR 28 2HG2 THR 28 -9.023 1.792 1.445
127 HG23 THR 28 2HG3 THR 28 -7.374 1.296 0.995
128 H LEU 29 H LEU 29 -7.960 -1.417 -2.349
129 HA LEU 29 HA LEU 29 -10.097 -0.949 -4.369
130 HB2 LEU 29 1HB LEU 29 -7.175 -1.721 -4.686
131 HB3 LEU 29 2HB LEU 29 -8.319 -1.547 -6.021
132 HG LEU 29 HG LEU 29 -7.461 0.686 -4.147
133 HD11 LEU 29 1HD1 LEU 29 -6.224 1.514 -6.100
134 HD12 LEU 29 1HD2 LEU 29 -5.640 -0.085 -5.580
135 HD13 LEU 29 1HD3 LEU 29 -6.690 0.059 -7.011
136 HD21 LEU 29 2HD1 LEU 29 -8.639 2.120 -5.780
137 HD22 LEU 29 2HD2 LEU 29 -9.140 0.674 -6.689
138 HD23 LEU 29 2HD3 LEU 29 -9.752 0.944 -5.040
139 H LEU 30 H LEU 30 -7.984 -3.480 -3.015
140 HA LEU 30 HA LEU 30 -9.580 -5.496 -4.530
141 HB2 LEU 30 1HB LEU 30 -6.792 -5.704 -3.335
142 HB3 LEU 30 2HB LEU 30 -7.632 -6.991 -4.206
143 HG LEU 30 HG LEU 30 -6.755 -4.334 -5.391
144 HD11 LEU 30 1HD1 LEU 30 -5.121 -5.710 -6.600
145 HD12 LEU 30 1HD2 LEU 30 -4.884 -5.804 -4.840
146 HD13 LEU 30 1HD3 LEU 30 -5.669 -7.146 -5.706
147 HD21 LEU 30 2HD1 LEU 30 -7.429 -5.375 -7.529
148 HD22 LEU 30 2HD2 LEU 30 -8.009 -6.808 -6.648
149 HD23 LEU 30 2HD3 LEU 30 -8.814 -5.237 -6.419
150 H LYS 31 H LYS 31 -9.689 -4.109 -1.648
151 HA LYS 31 HA LYS 31 -10.326 -4.734 0.475
152 HB2 LYS 31 1HB LYS 31 -11.379 -7.194 -0.980
153 HB3 LYS 31 2HB LYS 31 -11.820 -6.710 0.652
154 HG2 LYS 31 1HG LYS 31 -12.786 -4.606 -0.254
155 HG3 LYS 31 2HG LYS 31 -12.395 -5.160 -1.889
156 HD2 LYS 31 1HD LYS 31 -13.813 -7.170 -1.533
157 HD3 LYS 31 2HD LYS 31 -14.225 -6.578 0.083
158 HE2 LYS 31 1HE LYS 31 -15.239 -4.558 -0.901
159 HE3 LYS 31 2HE LYS 31 -14.803 -5.114 -2.519
160 HZ1 LYS 31 1HZ LYS 31 -17.072 -5.624 -1.994
161 HZ2 LYS 31 2HZ LYS 31 -16.218 -7.022 -2.182
162 HZ3 LYS 31 3HZ LYS 31 -16.627 -6.502 -0.672
163 H LYS 32 H LYS 32 -7.661 -5.259 -0.156
164 HA LYS 32 HA LYS 32 -7.195 -7.755 1.422
165 HB2 LYS 32 1HB LYS 32 -5.352 -6.307 -0.522
166 HB3 LYS 32 2HB LYS 32 -4.880 -7.684 0.462
167 HG2 LYS 32 1HG LYS 32 -6.590 -9.072 -0.675
168 HG3 LYS 32 2HG LYS 32 -7.019 -7.684 -1.686
169 HD2 LYS 32 1HD LYS 32 -4.707 -7.603 -2.560
170 HD3 LYS 32 2HD LYS 32 -4.274 -8.987 -1.546
171 HE2 LYS 32 1HE LYS 32 -5.996 -10.353 -2.721
172 HE3 LYS 32 2HE LYS 32 -6.350 -8.976 -3.767
173 HZ1 LYS 32 1HZ LYS 32 -4.828 -10.497 -4.797
174 HZ2 LYS 32 2HZ LYS 32 -4.078 -9.051 -4.538
175 HZ3 LYS 32 3HZ LYS 32 -3.748 -10.339 -3.562
176 HA PRO 33 HA PRO 33 -6.494 -4.705 4.569
177 HB2 PRO 33 1HB PRO 33 -5.668 -7.299 5.947
178 HB3 PRO 33 2HB PRO 33 -6.626 -5.960 6.592
179 HG2 PRO 33 1HG PRO 33 -7.911 -8.137 5.772
180 HG3 PRO 33 2HG PRO 33 -8.563 -6.555 5.337
181 HD2 PRO 33 1HD PRO 33 -6.947 -8.496 3.647
182 HD3 PRO 33 2HD PRO 33 -8.359 -7.467 3.173
183 H LYS 34 H LYS 34 -4.675 -3.558 4.925
184 HA LYS 34 HA LYS 34 -2.153 -4.309 3.845
185 HB2 LYS 34 1HB LYS 34 -2.846 -1.961 4.265
186 HB3 LYS 34 2HB LYS 34 -2.775 -2.246 5.998
187 HG2 LYS 34 1HG LYS 34 -0.351 -2.688 5.829
188 HG3 LYS 34 2HG LYS 34 -0.425 -2.392 4.087
189 HD2 LYS 34 1HD LYS 34 0.320 -0.355 5.081
190 HD3 LYS 34 2HD LYS 34 -1.370 -0.092 4.625
191 HE2 LYS 34 1HE LYS 34 -2.098 -0.476 6.921
192 HE3 LYS 34 2HE LYS 34 -0.455 -0.901 7.410
193 HZ1 LYS 34 1HZ LYS 34 -0.992 1.350 7.985
194 HZ2 LYS 34 2HZ LYS 34 0.223 1.337 6.868
195 HZ3 LYS 34 3HZ LYS 34 -1.312 1.734 6.413
196 H LYS 35 H LYS 35 -0.554 -5.523 4.538
197 HA LYS 35 HA LYS 35 0.037 -5.826 7.367
198 HB2 LYS 35 1HB LYS 35 -1.865 -7.421 7.107
199 HB3 LYS 35 2HB LYS 35 -0.976 -8.261 5.845
200 HG2 LYS 35 1HG LYS 35 0.758 -8.906 7.437
201 HG3 LYS 35 2HG LYS 35 -0.041 -7.979 8.715
202 HD2 LYS 35 1HD LYS 35 -2.041 -9.419 8.520
203 HD3 LYS 35 2HD LYS 35 -1.250 -10.343 7.234
204 HE2 LYS 35 1HE LYS 35 0.544 -10.997 8.806
205 HE3 LYS 35 2HE LYS 35 -0.242 -10.076 10.091
206 HZ1 LYS 35 1HZ LYS 35 -0.787 -12.395 10.208
207 HZ2 LYS 35 2HZ LYS 35 -2.147 -11.521 9.881
208 HZ3 LYS 35 3HZ LYS 35 -1.411 -12.383 8.682
Start of MODEL 16
1 H1 LYS 15 1H LYS 15 9.350 -5.614 4.916
2 H2 LYS 15 2H LYS 15 10.448 -4.427 4.695
3 H3 LYS 15 3H LYS 15 9.311 -4.279 5.855
4 HA LYS 15 HA LYS 15 8.846 -4.347 2.982
5 HB2 LYS 15 1HB LYS 15 7.031 -5.404 4.334
6 HB3 LYS 15 2HB LYS 15 6.884 -3.925 5.272
7 HG2 LYS 15 1HG LYS 15 6.199 -2.691 3.264
8 HG3 LYS 15 2HG LYS 15 6.394 -4.154 2.288
9 HD2 LYS 15 1HD LYS 15 4.512 -3.932 4.666
10 HD3 LYS 15 2HD LYS 15 4.023 -3.679 2.984
11 HE2 LYS 15 1HE LYS 15 4.827 -5.991 2.450
12 HE3 LYS 15 2HE LYS 15 5.176 -6.233 4.164
13 HZ1 LYS 15 1HZ LYS 15 3.040 -7.111 3.566
14 HZ2 LYS 15 2HZ LYS 15 2.850 -5.864 4.629
15 HZ3 LYS 15 3HZ LYS 15 2.525 -5.641 3.027
16 H LYS 16 H LYS 16 9.009 -2.484 1.967
17 HA LYS 16 HA LYS 16 9.826 -0.121 3.474
18 HB2 LYS 16 1HB LYS 16 9.332 -0.584 0.506
19 HB3 LYS 16 2HB LYS 16 9.914 0.932 1.179
20 HG2 LYS 16 1HG LYS 16 11.917 -0.232 2.054
21 HG3 LYS 16 2HG LYS 16 11.335 -1.741 1.336
22 HD2 LYS 16 1HD LYS 16 11.385 -0.695 -0.907
23 HD3 LYS 16 2HD LYS 16 11.971 0.813 -0.188
24 HE2 LYS 16 1HE LYS 16 13.989 -0.354 0.628
25 HE3 LYS 16 2HE LYS 16 13.405 -1.867 -0.072
26 HZ1 LYS 16 1HZ LYS 16 14.977 -0.782 -1.501
27 HZ2 LYS 16 2HZ LYS 16 13.500 -0.835 -2.236
28 HZ3 LYS 16 3HZ LYS 16 14.047 0.577 -1.583
29 HA PRO 17 HA PRO 17 6.118 2.034 4.053
30 HB2 PRO 17 1HB PRO 17 7.487 4.327 2.589
31 HB3 PRO 17 2HB PRO 17 6.610 4.359 4.123
32 HG2 PRO 17 1HG PRO 17 9.266 4.361 4.202
33 HG3 PRO 17 2HG PRO 17 8.386 3.318 5.324
34 HD2 PRO 17 1HD PRO 17 9.774 2.592 2.715
35 HD3 PRO 17 2HD PRO 17 9.756 1.695 4.287
36 H LEU 18 H LEU 18 7.696 2.298 0.869
37 HA LEU 18 HA LEU 18 5.399 3.126 -0.612
38 HB2 LEU 18 1HB LEU 18 7.875 1.568 -1.425
39 HB3 LEU 18 2HB LEU 18 6.658 2.136 -2.572
40 HG LEU 18 HG LEU 18 8.301 3.947 -0.767
41 HD11 LEU 18 1HD1 LEU 18 9.537 4.494 -2.815
42 HD12 LEU 18 1HD2 LEU 18 9.705 2.776 -2.385
43 HD13 LEU 18 1HD3 LEU 18 8.612 3.261 -3.703
44 HD21 LEU 18 2HD1 LEU 18 7.417 5.715 -2.250
45 HD22 LEU 18 2HD2 LEU 18 6.461 4.499 -3.132
46 HD23 LEU 18 2HD3 LEU 18 6.096 4.852 -1.426
47 H GLY 19 H GLY 19 6.690 -0.086 0.206
48 HA2 GLY 19 1HA GLY 19 4.698 -1.571 -1.260
49 HA3 GLY 19 2HA GLY 19 5.734 -2.198 0.009
50 H LYS 20 H LYS 20 4.925 -0.262 2.029
51 HA LYS 20 HA LYS 20 2.602 -1.560 3.084
52 HB2 LYS 20 1HB LYS 20 3.976 1.051 3.819
53 HB3 LYS 20 2HB LYS 20 2.625 0.382 4.726
54 HG2 LYS 20 1HG LYS 20 3.941 -1.631 5.236
55 HG3 LYS 20 2HG LYS 20 5.296 -0.988 4.299
56 HD2 LYS 20 1HD LYS 20 5.418 0.966 5.820
57 HD3 LYS 20 2HD LYS 20 4.073 0.308 6.763
58 HE2 LYS 20 1HE LYS 20 5.415 -1.704 7.280
59 HE3 LYS 20 2HE LYS 20 6.757 -1.056 6.333
60 HZ1 LYS 20 1HZ LYS 20 7.037 -0.636 8.664
61 HZ2 LYS 20 2HZ LYS 20 6.863 0.793 7.859
62 HZ3 LYS 20 3HZ LYS 20 5.609 0.187 8.743
63 H MET 21 H MET 21 3.060 1.542 1.404
64 HA MET 21 HA MET 21 0.267 2.278 1.595
65 HB2 MET 21 1HB MET 21 2.552 3.258 -0.151
66 HB3 MET 21 2HB MET 21 0.934 3.939 -0.226
67 HG2 MET 21 1HG MET 21 2.807 3.958 2.153
68 HG3 MET 21 2HG MET 21 2.321 5.333 1.159
69 HE1 MET 21 1HE MET 21 -1.459 5.752 2.088
70 HE2 MET 21 2HE MET 21 -0.083 6.412 1.169
71 HE3 MET 21 3HE MET 21 -0.780 4.835 0.721
72 H ALA 22 H ALA 22 2.216 0.465 -0.703
73 HA ALA 22 HA ALA 22 0.264 0.288 -2.775
74 HB1 ALA 22 1HB ALA 22 1.499 -1.740 -3.471
75 HB2 ALA 22 2HB ALA 22 2.600 -0.392 -3.098
76 HB3 ALA 22 3HB ALA 22 2.388 -1.718 -1.931
77 H ASP 23 H ASP 23 0.867 -1.751 0.086
78 HA ASP 23 HA ASP 23 -1.320 -3.549 -0.465
79 HB2 ASP 23 1HB ASP 23 0.310 -2.928 2.017
80 HB3 ASP 23 2HB ASP 23 -1.038 -4.056 2.059
81 H TRP 24 H TRP 24 -0.987 -0.536 1.364
82 HA TRP 24 HA TRP 24 -3.579 -0.459 2.507
83 HB2 TRP 24 1HB TRP 24 -1.876 1.175 3.111
84 HB3 TRP 24 2HB TRP 24 -1.804 1.780 1.463
85 HD1 TRP 24 1HD TRP 24 -4.066 1.841 4.581
86 HE1 TRP 24 1HE TRP 24 -5.729 3.809 4.374
87 HE3 TRP 24 3HE TRP 24 -2.988 3.278 -0.222
88 HZ2 TRP 24 2HZ TRP 24 -6.462 5.710 2.419
89 HZ3 TRP 24 3HZ TRP 24 -4.208 5.179 -1.204
90 HH2 TRP 24 2HH TRP 24 -5.917 6.382 0.092
91 H PHE 25 H PHE 25 -2.434 0.734 -0.667
92 HA PHE 25 HA PHE 25 -4.960 1.516 -1.683
93 HB2 PHE 25 1HB PHE 25 -2.851 2.054 -2.822
94 HB3 PHE 25 2HB PHE 25 -2.550 0.351 -3.134
95 HD1 PHE 25 1HD PHE 25 -5.041 3.047 -3.808
96 HD2 PHE 25 2HD PHE 25 -3.265 -0.611 -5.119
97 HE1 PHE 25 1HE PHE 25 -6.257 3.228 -5.953
98 HE2 PHE 25 2HE PHE 25 -4.477 -0.432 -7.266
99 HZ PHE 25 HZ PHE 25 -5.975 1.488 -7.681
100 H ARG 26 H ARG 26 -3.298 -1.642 -1.803
101 HA ARG 26 HA ARG 26 -5.336 -2.972 -3.303
102 HB2 ARG 26 1HB ARG 26 -3.229 -4.004 -1.383
103 HB3 ARG 26 2HB ARG 26 -4.303 -5.062 -2.285
104 HG2 ARG 26 1HG ARG 26 -3.362 -4.421 -4.365
105 HG3 ARG 26 2HG ARG 26 -2.504 -3.043 -3.635
106 HD2 ARG 26 1HD ARG 26 -1.122 -4.560 -2.361
107 HD3 ARG 26 2HD ARG 26 -2.000 -5.950 -3.039
108 HE ARG 26 HE ARG 26 -1.171 -4.849 -5.288
109 HH11 ARG 26 1HH1 ARG 26 0.581 -5.201 -2.263
110 HH12 ARG 26 1HH2 ARG 26 2.147 -5.301 -3.037
111 HH21 ARG 26 2HH1 ARG 26 0.867 -4.981 -6.280
112 HH22 ARG 26 2HH2 ARG 26 2.310 -5.176 -5.310
113 H GLN 27 H GLN 27 -4.965 -2.239 0.111
114 HA GLN 27 HA GLN 27 -7.066 -3.930 1.079
115 HB2 GLN 27 1HB GLN 27 -5.391 -2.789 2.537
116 HB3 GLN 27 2HB GLN 27 -6.126 -1.239 2.153
117 HG2 GLN 27 1HG GLN 27 -8.221 -1.948 3.195
118 HG3 GLN 27 2HG GLN 27 -7.496 -3.537 3.565
119 HE21 GLN 27 2HE1 GLN 27 -6.719 -2.270 6.720
120 HE22 GLN 27 2HE2 GLN 27 -7.622 -3.410 5.778
121 H THR 28 H THR 28 -7.033 -0.652 -0.276
122 HA THR 28 HA THR 28 -9.891 -0.288 0.243
123 HB THR 28 HB THR 28 -9.612 1.866 -0.928
124 HG1 THR 28 1HG THR 28 -7.404 0.581 -1.916
125 HG21 THR 28 2HG1 THR 28 -7.936 2.873 0.570
126 HG22 THR 28 2HG2 THR 28 -8.961 1.715 1.450
127 HG23 THR 28 2HG3 THR 28 -7.312 1.255 0.967
128 H LEU 29 H LEU 29 -7.916 -1.598 -2.262
129 HA LEU 29 HA LEU 29 -10.123 -1.336 -4.240
130 HB2 LEU 29 1HB LEU 29 -7.919 -0.617 -5.008
131 HB3 LEU 29 2HB LEU 29 -7.217 -2.172 -4.549
132 HG LEU 29 HG LEU 29 -8.630 -3.281 -6.285
133 HD11 LEU 29 1HD1 LEU 29 -9.764 -1.875 -7.946
134 HD12 LEU 29 1HD2 LEU 29 -10.456 -1.661 -6.320
135 HD13 LEU 29 1HD3 LEU 29 -9.363 -0.427 -6.993
136 HD21 LEU 29 2HD1 LEU 29 -7.325 -2.416 -8.197
137 HD22 LEU 29 2HD2 LEU 29 -6.890 -0.974 -7.249
138 HD23 LEU 29 2HD3 LEU 29 -6.305 -2.579 -6.748
139 H LEU 30 H LEU 30 -7.775 -3.828 -3.155
140 HA LEU 30 HA LEU 30 -9.630 -5.872 -4.253
141 HB2 LEU 30 1HB LEU 30 -6.723 -6.097 -3.395
142 HB3 LEU 30 2HB LEU 30 -7.682 -7.387 -4.128
143 HG LEU 30 HG LEU 30 -6.913 -4.774 -5.481
144 HD11 LEU 30 1HD1 LEU 30 -5.433 -6.200 -6.822
145 HD12 LEU 30 1HD2 LEU 30 -5.001 -6.245 -5.097
146 HD13 LEU 30 1HD3 LEU 30 -5.886 -7.605 -5.829
147 HD21 LEU 30 2HD1 LEU 30 -7.828 -5.873 -7.497
148 HD22 LEU 30 2HD2 LEU 30 -8.315 -7.274 -6.514
149 HD23 LEU 30 2HD3 LEU 30 -9.080 -5.689 -6.244
150 H LYS 31 H LYS 31 -9.258 -4.376 -1.414
151 HA LYS 31 HA LYS 31 -9.827 -4.904 0.753
152 HB2 LYS 31 1HB LYS 31 -10.921 -7.462 -0.483
153 HB3 LYS 31 2HB LYS 31 -11.277 -6.872 1.135
154 HG2 LYS 31 1HG LYS 31 -12.330 -4.848 0.140
155 HG3 LYS 31 2HG LYS 31 -12.030 -5.516 -1.471
156 HD2 LYS 31 1HD LYS 31 -13.387 -7.514 -0.880
157 HD3 LYS 31 2HD LYS 31 -13.714 -6.806 0.709
158 HE2 LYS 31 1HE LYS 31 -14.818 -4.881 -0.364
159 HE3 LYS 31 2HE LYS 31 -14.467 -5.552 -1.958
160 HZ1 LYS 31 1HZ LYS 31 -16.694 -6.051 -1.263
161 HZ2 LYS 31 2HZ LYS 31 -15.827 -7.448 -1.395
162 HZ3 LYS 31 3HZ LYS 31 -16.156 -6.819 0.094
163 H LYS 32 H LYS 32 -7.208 -5.586 -0.265
164 HA LYS 32 HA LYS 32 -6.458 -8.098 1.021
165 HB2 LYS 32 1HB LYS 32 -5.236 -7.212 -0.956
166 HB3 LYS 32 2HB LYS 32 -4.731 -5.814 -0.017
167 HG2 LYS 32 1HG LYS 32 -3.493 -7.312 1.524
168 HG3 LYS 32 2HG LYS 32 -3.973 -8.698 0.536
169 HD2 LYS 32 1HD LYS 32 -2.840 -7.671 -1.426
170 HD3 LYS 32 2HD LYS 32 -2.329 -6.318 -0.406
171 HE2 LYS 32 1HE LYS 32 -1.124 -7.941 1.070
172 HE3 LYS 32 2HE LYS 32 -1.562 -9.238 -0.045
173 HZ1 LYS 32 1HZ LYS 32 0.630 -8.402 -0.480
174 HZ2 LYS 32 2HZ LYS 32 -0.352 -8.085 -1.767
175 HZ3 LYS 32 3HZ LYS 32 0.058 -6.875 -0.725
176 HA PRO 33 HA PRO 33 -6.295 -6.531 5.137
177 HB2 PRO 33 1HB PRO 33 -4.390 -8.897 5.325
178 HB3 PRO 33 2HB PRO 33 -5.699 -8.436 6.420
179 HG2 PRO 33 1HG PRO 33 -6.138 -10.427 4.717
180 HG3 PRO 33 2HG PRO 33 -7.400 -9.213 4.942
181 HD2 PRO 33 1HD PRO 33 -5.363 -9.468 2.694
182 HD3 PRO 33 2HD PRO 33 -7.126 -9.068 2.596
183 H LYS 34 H LYS 34 -5.031 -4.874 5.724
184 HA LYS 34 HA LYS 34 -2.353 -4.577 4.560
185 HB2 LYS 34 1HB LYS 34 -3.900 -2.643 4.700
186 HB3 LYS 34 2HB LYS 34 -3.915 -2.775 6.453
187 HG2 LYS 34 1HG LYS 34 -1.530 -2.235 6.547
188 HG3 LYS 34 2HG LYS 34 -1.456 -2.181 4.780
189 HD2 LYS 34 1HD LYS 34 -3.064 -0.315 4.752
190 HD3 LYS 34 2HD LYS 34 -3.192 -0.385 6.517
191 HE2 LYS 34 1HE LYS 34 -0.601 0.137 5.016
192 HE3 LYS 34 2HE LYS 34 -1.645 1.404 5.665
193 HZ1 LYS 34 1HZ LYS 34 0.131 0.871 7.164
194 HZ2 LYS 34 2HZ LYS 34 -1.315 0.475 7.852
195 HZ3 LYS 34 3HZ LYS 34 -0.338 -0.707 7.246
196 H LYS 35 H LYS 35 -0.498 -5.069 5.468
197 HA LYS 35 HA LYS 35 -0.079 -4.896 8.329
198 HB2 LYS 35 1HB LYS 35 -1.300 -7.069 8.189
199 HB3 LYS 35 2HB LYS 35 -0.079 -7.672 7.076
200 HG2 LYS 35 1HG LYS 35 1.635 -7.512 8.805
201 HG3 LYS 35 2HG LYS 35 0.470 -6.795 9.927
202 HD2 LYS 35 1HD LYS 35 -0.900 -8.851 9.825
203 HD3 LYS 35 2HD LYS 35 0.261 -9.569 8.698
204 HE2 LYS 35 1HE LYS 35 2.034 -9.396 10.415
205 HE3 LYS 35 2HE LYS 35 0.878 -8.680 11.540
206 HZ1 LYS 35 1HZ LYS 35 1.147 -11.019 11.922
207 HZ2 LYS 35 2HZ LYS 35 -0.397 -10.710 11.431
208 HZ3 LYS 35 3HZ LYS 35 0.684 -11.380 10.380
Start of MODEL 17
1 H1 LYS 15 1H LYS 15 9.589 -5.502 4.770
2 H2 LYS 15 2H LYS 15 10.654 -4.282 4.564
3 H3 LYS 15 3H LYS 15 9.514 -4.183 5.728
4 HA LYS 15 HA LYS 15 9.048 -4.222 2.854
5 HB2 LYS 15 1HB LYS 15 7.262 -5.347 4.186
6 HB3 LYS 15 2HB LYS 15 7.080 -3.891 5.155
7 HG2 LYS 15 1HG LYS 15 6.359 -2.636 3.172
8 HG3 LYS 15 2HG LYS 15 6.585 -4.076 2.169
9 HD2 LYS 15 1HD LYS 15 4.714 -3.958 4.562
10 HD3 LYS 15 2HD LYS 15 4.206 -3.660 2.893
11 HE2 LYS 15 1HE LYS 15 5.014 -5.930 2.265
12 HE3 LYS 15 2HE LYS 15 5.449 -6.226 3.950
13 HZ1 LYS 15 1HZ LYS 15 3.311 -7.138 3.418
14 HZ2 LYS 15 2HZ LYS 15 3.140 -5.937 4.536
15 HZ3 LYS 15 3HZ LYS 15 2.733 -5.662 2.961
16 H LYS 16 H LYS 16 9.148 -2.339 1.866
17 HA LYS 16 HA LYS 16 9.909 0.023 3.399
18 HB2 LYS 16 1HB LYS 16 9.400 -0.409 0.430
19 HB3 LYS 16 2HB LYS 16 9.945 1.112 1.121
20 HG2 LYS 16 1HG LYS 16 11.989 -0.007 1.959
21 HG3 LYS 16 2HG LYS 16 11.443 -1.521 1.224
22 HD2 LYS 16 1HD LYS 16 11.442 -0.440 -1.004
23 HD3 LYS 16 2HD LYS 16 11.991 1.073 -0.268
24 HE2 LYS 16 1HE LYS 16 14.050 -0.048 0.512
25 HE3 LYS 16 2HE LYS 16 13.503 -1.566 -0.204
26 HZ1 LYS 16 1HZ LYS 16 15.029 -0.416 -1.632
27 HZ2 LYS 16 2HZ LYS 16 13.547 -0.501 -2.353
28 HZ3 LYS 16 3HZ LYS 16 14.060 0.917 -1.684
29 HA PRO 17 HA PRO 17 6.149 2.071 4.039
30 HB2 PRO 17 1HB PRO 17 7.436 4.415 2.581
31 HB3 PRO 17 2HB PRO 17 6.575 4.407 4.125
32 HG2 PRO 17 1HG PRO 17 9.231 4.485 4.174
33 HG3 PRO 17 2HG PRO 17 8.394 3.407 5.295
34 HD2 PRO 17 1HD PRO 17 9.772 2.744 2.665
35 HD3 PRO 17 2HD PRO 17 9.798 1.834 4.229
36 H LEU 18 H LEU 18 7.683 2.392 0.840
37 HA LEU 18 HA LEU 18 5.352 3.178 -0.611
38 HB2 LEU 18 1HB LEU 18 7.853 1.682 -1.461
39 HB3 LEU 18 2HB LEU 18 6.611 2.229 -2.591
40 HG LEU 18 HG LEU 18 8.233 4.063 -0.791
41 HD11 LEU 18 1HD1 LEU 18 9.434 4.652 -2.850
42 HD12 LEU 18 1HD2 LEU 18 9.646 2.935 -2.433
43 HD13 LEU 18 1HD3 LEU 18 8.528 3.404 -3.736
44 HD21 LEU 18 2HD1 LEU 18 7.294 5.821 -2.253
45 HD22 LEU 18 2HD2 LEU 18 6.356 4.590 -3.131
46 HD23 LEU 18 2HD3 LEU 18 6.003 4.924 -1.420
47 H GLY 19 H GLY 19 6.720 -0.008 0.182
48 HA2 GLY 19 1HA GLY 19 4.742 -1.529 -1.270
49 HA3 GLY 19 2HA GLY 19 5.809 -2.140 -0.020
50 H LYS 20 H LYS 20 4.991 -0.242 2.028
51 HA LYS 20 HA LYS 20 2.700 -1.581 3.100
52 HB2 LYS 20 1HB LYS 20 4.040 1.049 3.832
53 HB3 LYS 20 2HB LYS 20 2.710 0.356 4.750
54 HG2 LYS 20 1HG LYS 20 4.062 -1.640 5.237
55 HG3 LYS 20 2HG LYS 20 5.398 -0.970 4.289
56 HD2 LYS 20 1HD LYS 20 5.499 0.980 5.820
57 HD3 LYS 20 2HD LYS 20 4.178 0.289 6.776
58 HE2 LYS 20 1HE LYS 20 5.566 -1.698 7.263
59 HE3 LYS 20 2HE LYS 20 6.883 -1.019 6.303
60 HZ1 LYS 20 1HZ LYS 20 7.185 -0.606 8.633
61 HZ2 LYS 20 2HZ LYS 20 6.975 0.824 7.837
62 HZ3 LYS 20 3HZ LYS 20 5.745 0.189 8.734
63 H MET 21 H MET 21 3.090 1.533 1.424
64 HA MET 21 HA MET 21 0.301 2.246 1.617
65 HB2 MET 21 1HB MET 21 2.561 3.157 -0.193
66 HB3 MET 21 2HB MET 21 0.933 3.809 -0.320
67 HG2 MET 21 1HG MET 21 2.773 3.985 2.080
68 HG3 MET 21 2HG MET 21 2.305 5.295 0.994
69 HE1 MET 21 1HE MET 21 -1.526 5.680 1.805
70 HE2 MET 21 2HE MET 21 -0.159 6.289 0.841
71 HE3 MET 21 3HE MET 21 -0.803 4.657 0.540
72 H ALA 22 H ALA 22 2.240 0.488 -0.771
73 HA ALA 22 HA ALA 22 0.274 0.195 -2.771
74 HB1 ALA 22 1HB ALA 22 1.495 -1.860 -3.406
75 HB2 ALA 22 2HB ALA 22 2.606 -0.512 -3.069
76 HB3 ALA 22 3HB ALA 22 2.380 -1.801 -1.864
77 H ASP 23 H ASP 23 0.896 -1.841 0.098
78 HA ASP 23 HA ASP 23 -1.311 -3.607 -0.336
79 HB2 ASP 23 1HB ASP 23 0.220 -2.797 2.158
80 HB3 ASP 23 2HB ASP 23 -1.096 -3.962 2.205
81 H TRP 24 H TRP 24 -1.011 -0.499 1.346
82 HA TRP 24 HA TRP 24 -3.597 -0.416 2.500
83 HB2 TRP 24 1HB TRP 24 -1.713 1.210 2.922
84 HB3 TRP 24 2HB TRP 24 -2.033 1.927 1.349
85 HD1 TRP 24 1HD TRP 24 -3.541 1.627 4.873
86 HE1 TRP 24 1HE TRP 24 -5.363 3.438 5.168
87 HE3 TRP 24 3HE TRP 24 -3.710 3.367 0.051
88 HZ2 TRP 24 2HZ TRP 24 -6.676 5.344 3.552
89 HZ3 TRP 24 3HZ TRP 24 -5.273 5.186 -0.509
90 HH2 TRP 24 2HH TRP 24 -6.733 6.166 1.211
91 H PHE 25 H PHE 25 -2.464 0.536 -0.740
92 HA PHE 25 HA PHE 25 -5.057 1.468 -1.609
93 HB2 PHE 25 1HB PHE 25 -2.513 0.691 -3.069
94 HB3 PHE 25 2HB PHE 25 -3.967 1.173 -3.931
95 HD1 PHE 25 1HD PHE 25 -0.945 2.317 -2.685
96 HD2 PHE 25 2HD PHE 25 -5.061 3.437 -2.936
97 HE1 PHE 25 1HE PHE 25 -0.314 4.693 -2.416
98 HE2 PHE 25 2HE PHE 25 -4.434 5.813 -2.670
99 HZ PHE 25 HZ PHE 25 -2.059 6.440 -2.409
100 H ARG 26 H ARG 26 -3.351 -1.624 -1.712
101 HA ARG 26 HA ARG 26 -5.149 -2.971 -3.473
102 HB2 ARG 26 1HB ARG 26 -3.306 -3.941 -1.275
103 HB3 ARG 26 2HB ARG 26 -4.294 -5.046 -2.219
104 HG2 ARG 26 1HG ARG 26 -3.158 -4.471 -4.244
105 HG3 ARG 26 2HG ARG 26 -2.304 -3.127 -3.448
106 HD2 ARG 26 1HD ARG 26 -1.105 -4.660 -2.056
107 HD3 ARG 26 2HD ARG 26 -2.030 -6.031 -2.709
108 HE ARG 26 HE ARG 26 -0.971 -5.056 -4.954
109 HH11 ARG 26 1HH1 ARG 26 0.503 -5.596 -1.811
110 HH12 ARG 26 1HH2 ARG 26 2.093 -5.907 -2.471
111 HH21 ARG 26 2HH1 ARG 26 1.097 -5.462 -5.798
112 HH22 ARG 26 2HH2 ARG 26 2.431 -5.830 -4.728
113 H GLN 27 H GLN 27 -5.178 -2.418 0.027
114 HA GLN 27 HA GLN 27 -7.587 -4.037 0.401
115 HB2 GLN 27 1HB GLN 27 -5.865 -3.790 2.189
116 HB3 GLN 27 2HB GLN 27 -6.222 -2.072 2.287
117 HG2 GLN 27 1HG GLN 27 -8.461 -2.515 3.063
118 HG3 GLN 27 2HG GLN 27 -8.231 -4.269 2.820
119 HE21 GLN 27 2HE1 GLN 27 -7.189 -2.515 6.281
120 HE22 GLN 27 2HE2 GLN 27 -8.098 -1.730 5.033
121 H THR 28 H THR 28 -6.769 -0.612 0.048
122 HA THR 28 HA THR 28 -9.396 0.298 0.882
123 HB THR 28 HB THR 28 -7.144 1.767 -0.556
124 HG1 THR 28 1HG THR 28 -6.461 1.255 1.476
125 HG21 THR 28 2HG1 THR 28 -8.313 3.809 0.176
126 HG22 THR 28 2HG2 THR 28 -9.340 2.842 -0.910
127 HG23 THR 28 2HG3 THR 28 -9.631 2.820 0.845
128 H LEU 29 H LEU 29 -7.734 -0.071 -2.256
129 HA LEU 29 HA LEU 29 -10.191 0.950 -3.585
130 HB2 LEU 29 1HB LEU 29 -7.377 0.532 -4.658
131 HB3 LEU 29 2HB LEU 29 -8.730 1.206 -5.572
132 HG LEU 29 HG LEU 29 -7.456 2.470 -3.119
133 HD11 LEU 29 1HD1 LEU 29 -6.595 4.111 -4.727
134 HD12 LEU 29 1HD2 LEU 29 -5.984 2.476 -5.067
135 HD13 LEU 29 1HD3 LEU 29 -7.286 3.163 -6.065
136 HD21 LEU 29 2HD1 LEU 29 -8.876 4.402 -3.720
137 HD22 LEU 29 2HD2 LEU 29 -9.600 3.458 -5.045
138 HD23 LEU 29 2HD3 LEU 29 -9.867 2.969 -3.354
139 H LEU 30 H LEU 30 -7.876 -1.756 -3.662
140 HA LEU 30 HA LEU 30 -9.507 -3.142 -5.687
141 HB2 LEU 30 1HB LEU 30 -6.956 -3.953 -4.247
142 HB3 LEU 30 2HB LEU 30 -7.731 -4.880 -5.536
143 HG LEU 30 HG LEU 30 -6.552 -2.095 -5.836
144 HD11 LEU 30 1HD1 LEU 30 -4.813 -3.244 -7.130
145 HD12 LEU 30 1HD2 LEU 30 -4.854 -3.803 -5.441
146 HD13 LEU 30 1HD3 LEU 30 -5.552 -4.812 -6.730
147 HD21 LEU 30 2HD1 LEU 30 -6.934 -2.497 -8.244
148 HD22 LEU 30 2HD2 LEU 30 -7.704 -4.056 -7.862
149 HD23 LEU 30 2HD3 LEU 30 -8.466 -2.535 -7.338
150 H LYS 31 H LYS 31 -9.589 -2.787 -2.375
151 HA LYS 31 HA LYS 31 -10.787 -3.872 -0.738
152 HB2 LYS 31 1HB LYS 31 -12.114 -5.379 -3.023
153 HB3 LYS 31 2HB LYS 31 -12.755 -5.130 -1.404
154 HG2 LYS 31 1HG LYS 31 -12.276 -2.959 -3.467
155 HG3 LYS 31 2HG LYS 31 -13.838 -3.672 -3.042
156 HD2 LYS 31 1HD LYS 31 -13.551 -2.869 -0.705
157 HD3 LYS 31 2HD LYS 31 -12.016 -2.119 -1.166
158 HE2 LYS 31 1HE LYS 31 -13.245 -0.742 -2.857
159 HE3 LYS 31 2HE LYS 31 -14.761 -1.436 -2.278
160 HZ1 LYS 31 1HZ LYS 31 -14.314 0.677 -1.265
161 HZ2 LYS 31 2HZ LYS 31 -14.293 -0.506 -0.115
162 HZ3 LYS 31 3HZ LYS 31 -12.877 0.142 -0.658
163 H LYS 32 H LYS 32 -8.254 -4.896 -1.279
164 HA LYS 32 HA LYS 32 -8.712 -7.793 -0.698
165 HB2 LYS 32 1HB LYS 32 -6.259 -6.428 -1.878
166 HB3 LYS 32 2HB LYS 32 -6.339 -8.125 -1.427
167 HG2 LYS 32 1HG LYS 32 -8.138 -8.476 -3.092
168 HG3 LYS 32 2HG LYS 32 -8.019 -6.774 -3.559
169 HD2 LYS 32 1HD LYS 32 -5.653 -7.113 -4.200
170 HD3 LYS 32 2HD LYS 32 -5.771 -8.816 -3.731
171 HE2 LYS 32 1HE LYS 32 -7.569 -9.134 -5.426
172 HE3 LYS 32 2HE LYS 32 -7.381 -7.449 -5.919
173 HZ1 LYS 32 1HZ LYS 32 -6.159 -8.925 -7.339
174 HZ2 LYS 32 2HZ LYS 32 -5.113 -7.941 -6.528
175 HZ3 LYS 32 3HZ LYS 32 -5.288 -9.515 -6.069
176 HA PRO 33 HA PRO 33 -7.673 -6.283 3.366
177 HB2 PRO 33 1HB PRO 33 -7.953 -9.284 3.800
178 HB3 PRO 33 2HB PRO 33 -8.563 -7.958 4.798
179 HG2 PRO 33 1HG PRO 33 -10.273 -9.206 3.188
180 HG3 PRO 33 2HG PRO 33 -10.330 -7.444 3.285
181 HD2 PRO 33 1HD PRO 33 -9.075 -9.207 1.148
182 HD3 PRO 33 2HD PRO 33 -10.031 -7.684 0.955
183 H LYS 34 H LYS 34 -5.716 -6.168 4.374
184 HA LYS 34 HA LYS 34 -3.387 -7.220 3.122
185 HB2 LYS 34 1HB LYS 34 -3.807 -6.085 5.914
186 HB3 LYS 34 2HB LYS 34 -2.227 -6.472 5.244
187 HG2 LYS 34 1HG LYS 34 -2.569 -4.828 3.446
188 HG3 LYS 34 2HG LYS 34 -4.174 -4.453 4.088
189 HD2 LYS 34 1HD LYS 34 -3.126 -3.752 6.237
190 HD3 LYS 34 2HD LYS 34 -1.531 -4.072 5.542
191 HE2 LYS 34 1HE LYS 34 -1.925 -2.382 3.801
192 HE3 LYS 34 2HE LYS 34 -3.548 -2.088 4.430
193 HZ1 LYS 34 1HZ LYS 34 -1.991 -0.459 5.211
194 HZ2 LYS 34 2HZ LYS 34 -2.555 -1.344 6.484
195 HZ3 LYS 34 3HZ LYS 34 -1.038 -1.618 5.896
196 H LYS 35 H LYS 35 -2.249 -9.022 3.321
197 HA LYS 35 HA LYS 35 -2.368 -10.698 5.679
198 HB2 LYS 35 1HB LYS 35 -4.546 -11.288 4.610
199 HB3 LYS 35 2HB LYS 35 -3.690 -11.753 3.146
200 HG2 LYS 35 1HG LYS 35 -2.553 -13.556 4.335
201 HG3 LYS 35 2HG LYS 35 -3.303 -13.054 5.858
202 HD2 LYS 35 1HD LYS 35 -5.541 -13.508 4.909
203 HD3 LYS 35 2HD LYS 35 -4.795 -14.004 3.383
204 HE2 LYS 35 1HE LYS 35 -3.603 -15.825 4.560
205 HE3 LYS 35 2HE LYS 35 -4.347 -15.332 6.083
206 HZ1 LYS 35 1HZ LYS 35 -5.519 -17.149 5.076
207 HZ2 LYS 35 2HZ LYS 35 -6.493 -15.818 5.124
208 HZ3 LYS 35 3HZ LYS 35 -5.797 -16.280 3.702
Start of MODEL 18
1 H1 LYS 15 1H LYS 15 9.623 -5.699 4.646
2 H2 LYS 15 2H LYS 15 10.662 -4.448 4.507
3 H3 LYS 15 3H LYS 15 9.510 -4.426 5.662
4 HA LYS 15 HA LYS 15 9.071 -4.343 2.785
5 HB2 LYS 15 1HB LYS 15 7.295 -5.567 4.028
6 HB3 LYS 15 2HB LYS 15 7.082 -4.178 5.085
7 HG2 LYS 15 1HG LYS 15 6.317 -2.815 3.212
8 HG3 LYS 15 2HG LYS 15 6.626 -4.146 2.088
9 HD2 LYS 15 1HD LYS 15 4.726 -4.368 4.447
10 HD3 LYS 15 2HD LYS 15 4.213 -3.876 2.827
11 HE2 LYS 15 1HE LYS 15 5.107 -6.017 1.919
12 HE3 LYS 15 2HE LYS 15 5.546 -6.511 3.557
13 HZ1 LYS 15 1HZ LYS 15 3.445 -7.423 2.893
14 HZ2 LYS 15 2HZ LYS 15 3.226 -6.383 4.154
15 HZ3 LYS 15 3HZ LYS 15 2.815 -5.922 2.624
16 H LYS 16 H LYS 16 9.137 -2.415 1.885
17 HA LYS 16 HA LYS 16 9.857 -0.121 3.541
18 HB2 LYS 16 1HB LYS 16 9.404 -0.418 0.546
19 HB3 LYS 16 2HB LYS 16 9.924 1.074 1.317
20 HG2 LYS 16 1HG LYS 16 11.963 -0.068 2.138
21 HG3 LYS 16 2HG LYS 16 11.443 -1.550 1.324
22 HD2 LYS 16 1HD LYS 16 11.471 -0.368 -0.851
23 HD3 LYS 16 2HD LYS 16 11.994 1.114 -0.035
24 HE2 LYS 16 1HE LYS 16 14.049 -0.024 0.728
25 HE3 LYS 16 2HE LYS 16 13.528 -1.511 -0.068
26 HZ1 LYS 16 1HZ LYS 16 15.068 -0.284 -1.414
27 HZ2 LYS 16 2HZ LYS 16 13.600 -0.346 -2.164
28 HZ3 LYS 16 3HZ LYS 16 14.087 1.043 -1.422
29 HA PRO 17 HA PRO 17 6.067 1.866 4.199
30 HB2 PRO 17 1HB PRO 17 7.361 4.285 2.881
31 HB3 PRO 17 2HB PRO 17 6.472 4.197 4.407
32 HG2 PRO 17 1HG PRO 17 9.126 4.292 4.508
33 HG3 PRO 17 2HG PRO 17 8.278 3.157 5.562
34 HD2 PRO 17 1HD PRO 17 9.707 2.629 2.928
35 HD3 PRO 17 2HD PRO 17 9.717 1.647 4.447
36 H LEU 18 H LEU 18 7.664 2.343 1.053
37 HA LEU 18 HA LEU 18 5.364 3.194 -0.408
38 HB2 LEU 18 1HB LEU 18 7.884 1.737 -1.274
39 HB3 LEU 18 2HB LEU 18 6.666 2.337 -2.404
40 HG LEU 18 HG LEU 18 8.249 4.086 -0.487
41 HD11 LEU 18 1HD1 LEU 18 9.490 4.771 -2.491
42 HD12 LEU 18 1HD2 LEU 18 9.695 3.036 -2.152
43 HD13 LEU 18 1HD3 LEU 18 8.602 3.566 -3.453
44 HD21 LEU 18 2HD1 LEU 18 7.338 5.910 -1.883
45 HD22 LEU 18 2HD2 LEU 18 6.418 4.721 -2.838
46 HD23 LEU 18 2HD3 LEU 18 6.030 4.974 -1.119
47 H GLY 19 H GLY 19 6.720 -0.028 0.256
48 HA2 GLY 19 1HA GLY 19 4.775 -1.486 -1.293
49 HA3 GLY 19 2HA GLY 19 5.803 -2.144 -0.034
50 H LYS 20 H LYS 20 4.937 -0.334 2.061
51 HA LYS 20 HA LYS 20 2.598 -1.692 3.000
52 HB2 LYS 20 1HB LYS 20 3.951 0.877 3.903
53 HB3 LYS 20 2HB LYS 20 2.586 0.158 4.747
54 HG2 LYS 20 1HG LYS 20 3.898 -1.876 5.174
55 HG3 LYS 20 2HG LYS 20 5.267 -1.184 4.293
56 HD2 LYS 20 1HD LYS 20 5.350 0.693 5.917
57 HD3 LYS 20 2HD LYS 20 4.004 -0.031 6.807
58 HE2 LYS 20 1HE LYS 20 5.363 -2.052 7.227
59 HE3 LYS 20 2HE LYS 20 6.706 -1.341 6.328
60 HZ1 LYS 20 1HZ LYS 20 6.964 -1.044 8.681
61 HZ2 LYS 20 2HZ LYS 20 6.782 0.424 7.951
62 HZ3 LYS 20 3HZ LYS 20 5.528 -0.241 8.792
63 H MET 21 H MET 21 3.086 1.468 1.453
64 HA MET 21 HA MET 21 0.322 2.257 1.619
65 HB2 MET 21 1HB MET 21 2.630 3.124 -0.151
66 HB3 MET 21 2HB MET 21 1.024 3.825 -0.291
67 HG2 MET 21 1HG MET 21 2.829 3.911 2.140
68 HG3 MET 21 2HG MET 21 2.431 5.249 1.060
69 HE1 MET 21 1HE MET 21 -1.392 5.782 1.804
70 HE2 MET 21 2HE MET 21 0.020 6.350 0.880
71 HE3 MET 21 3HE MET 21 -0.685 4.752 0.536
72 H ALA 22 H ALA 22 2.227 0.493 -0.793
73 HA ALA 22 HA ALA 22 0.217 0.259 -2.773
74 HB1 ALA 22 1HB ALA 22 1.434 -1.773 -3.488
75 HB2 ALA 22 2HB ALA 22 2.544 -0.425 -3.146
76 HB3 ALA 22 3HB ALA 22 2.358 -1.744 -1.968
77 H ASP 23 H ASP 23 0.879 -1.761 0.088
78 HA ASP 23 HA ASP 23 -1.310 -3.564 -0.364
79 HB2 ASP 23 1HB ASP 23 0.272 -2.806 2.115
80 HB3 ASP 23 2HB ASP 23 -1.038 -3.978 2.162
81 H TRP 24 H TRP 24 -1.003 -0.462 1.310
82 HA TRP 24 HA TRP 24 -3.585 -0.401 2.495
83 HB2 TRP 24 1HB TRP 24 -1.764 1.232 2.976
84 HB3 TRP 24 2HB TRP 24 -1.962 1.914 1.368
85 HD1 TRP 24 1HD TRP 24 -3.762 1.687 4.769
86 HE1 TRP 24 1HE TRP 24 -5.536 3.562 4.904
87 HE3 TRP 24 3HE TRP 24 -3.441 3.425 -0.046
88 HZ2 TRP 24 2HZ TRP 24 -6.633 5.512 3.181
89 HZ3 TRP 24 3HZ TRP 24 -4.882 5.296 -0.740
90 HH2 TRP 24 2HH TRP 24 -6.453 6.331 0.845
91 H PHE 25 H PHE 25 -2.459 0.600 -0.737
92 HA PHE 25 HA PHE 25 -5.029 1.473 -1.664
93 HB2 PHE 25 1HB PHE 25 -2.490 0.569 -3.047
94 HB3 PHE 25 2HB PHE 25 -3.938 0.942 -3.969
95 HD1 PHE 25 1HD PHE 25 -0.964 2.251 -2.706
96 HD2 PHE 25 2HD PHE 25 -5.069 3.273 -3.308
97 HE1 PHE 25 1HE PHE 25 -0.371 4.652 -2.661
98 HE2 PHE 25 2HE PHE 25 -4.480 5.674 -3.267
99 HZ PHE 25 HZ PHE 25 -2.130 6.363 -2.942
100 H ARG 26 H ARG 26 -3.389 -1.666 -1.634
101 HA ARG 26 HA ARG 26 -5.340 -3.057 -3.208
102 HB2 ARG 26 1HB ARG 26 -3.360 -3.985 -1.109
103 HB3 ARG 26 2HB ARG 26 -4.411 -5.093 -1.977
104 HG2 ARG 26 1HG ARG 26 -3.384 -4.554 -4.076
105 HG3 ARG 26 2HG ARG 26 -2.458 -3.225 -3.338
106 HD2 ARG 26 1HD ARG 26 -1.208 -4.763 -2.010
107 HD3 ARG 26 2HD ARG 26 -2.209 -6.122 -2.572
108 HE ARG 26 HE ARG 26 -1.271 -5.209 -4.902
109 HH11 ARG 26 1HH1 ARG 26 0.379 -5.775 -1.852
110 HH12 ARG 26 1HH2 ARG 26 1.910 -6.153 -2.607
111 HH21 ARG 26 2HH1 ARG 26 0.722 -5.703 -5.870
112 HH22 ARG 26 2HH2 ARG 26 2.106 -6.113 -4.882
113 H GLN 27 H GLN 27 -5.073 -2.318 0.248
114 HA GLN 27 HA GLN 27 -7.353 -3.802 1.109
115 HB2 GLN 27 1HB GLN 27 -5.689 -2.765 2.647
116 HB3 GLN 27 2HB GLN 27 -6.268 -1.170 2.190
117 HG2 GLN 27 1HG GLN 27 -8.459 -1.652 3.131
118 HG3 GLN 27 2HG GLN 27 -7.929 -3.308 3.539
119 HE21 GLN 27 2HE1 GLN 27 -7.526 -0.522 6.267
120 HE22 GLN 27 2HE2 GLN 27 -8.690 -0.579 4.985
121 H THR 28 H THR 28 -7.017 -0.505 -0.185
122 HA THR 28 HA THR 28 -9.798 0.163 0.161
123 HB THR 28 HB THR 28 -7.694 1.362 -1.692
124 HG1 THR 28 1HG THR 28 -7.112 1.704 0.421
125 HG21 THR 28 2HG1 THR 28 -9.203 3.308 -1.779
126 HG22 THR 28 2HG2 THR 28 -9.995 1.859 -2.444
127 HG23 THR 28 2HG3 THR 28 -10.404 2.427 -0.809
128 H LEU 29 H LEU 29 -7.915 -1.230 -2.511
129 HA LEU 29 HA LEU 29 -10.260 -0.869 -4.295
130 HB2 LEU 29 1HB LEU 29 -7.377 -1.618 -4.900
131 HB3 LEU 29 2HB LEU 29 -8.645 -1.399 -6.109
132 HG LEU 29 HG LEU 29 -7.592 0.774 -4.264
133 HD11 LEU 29 1HD1 LEU 29 -6.547 1.656 -6.302
134 HD12 LEU 29 1HD2 LEU 29 -5.927 0.040 -5.892
135 HD13 LEU 29 1HD3 LEU 29 -7.110 0.231 -7.207
136 HD21 LEU 29 2HD1 LEU 29 -8.916 2.261 -5.729
137 HD22 LEU 29 2HD2 LEU 29 -9.513 0.844 -6.628
138 HD23 LEU 29 2HD3 LEU 29 -9.958 1.067 -4.919
139 H LEU 30 H LEU 30 -8.021 -3.370 -3.108
140 HA LEU 30 HA LEU 30 -9.615 -5.402 -4.594
141 HB2 LEU 30 1HB LEU 30 -6.830 -5.577 -3.390
142 HB3 LEU 30 2HB LEU 30 -7.648 -6.872 -4.269
143 HG LEU 30 HG LEU 30 -6.796 -4.198 -5.437
144 HD11 LEU 30 1HD1 LEU 30 -5.151 -5.552 -6.655
145 HD12 LEU 30 1HD2 LEU 30 -4.916 -5.658 -4.895
146 HD13 LEU 30 1HD3 LEU 30 -5.688 -7.000 -5.772
147 HD21 LEU 30 2HD1 LEU 30 -7.460 -5.229 -7.583
148 HD22 LEU 30 2HD2 LEU 30 -8.032 -6.673 -6.714
149 HD23 LEU 30 2HD3 LEU 30 -8.847 -5.109 -6.474
150 H LYS 31 H LYS 31 -9.734 -4.034 -1.698
151 HA LYS 31 HA LYS 31 -10.387 -4.683 0.413
152 HB2 LYS 31 1HB LYS 31 -11.452 -7.110 -1.087
153 HB3 LYS 31 2HB LYS 31 -11.901 -6.648 0.549
154 HG2 LYS 31 1HG LYS 31 -12.839 -4.520 -0.330
155 HG3 LYS 31 2HG LYS 31 -12.442 -5.052 -1.971
156 HD2 LYS 31 1HD LYS 31 -13.882 -7.053 -1.657
157 HD3 LYS 31 2HD LYS 31 -14.301 -6.482 -0.034
158 HE2 LYS 31 1HE LYS 31 -15.288 -4.438 -0.994
159 HE3 LYS 31 2HE LYS 31 -14.844 -4.972 -2.618
160 HZ1 LYS 31 1HZ LYS 31 -17.123 -5.468 -2.118
161 HZ2 LYS 31 2HZ LYS 31 -16.280 -6.872 -2.322
162 HZ3 LYS 31 3HZ LYS 31 -16.696 -6.371 -0.806
163 H LYS 32 H LYS 32 -7.719 -5.243 -0.232
164 HA LYS 32 HA LYS 32 -7.293 -7.750 1.338
165 HB2 LYS 32 1HB LYS 32 -5.416 -6.303 -0.574
166 HB3 LYS 32 2HB LYS 32 -4.969 -7.696 0.401
167 HG2 LYS 32 1HG LYS 32 -6.682 -9.053 -0.768
168 HG3 LYS 32 2HG LYS 32 -7.089 -7.650 -1.766
169 HD2 LYS 32 1HD LYS 32 -4.766 -7.579 -2.618
170 HD3 LYS 32 2HD LYS 32 -4.359 -8.984 -1.620
171 HE2 LYS 32 1HE LYS 32 -6.084 -10.312 -2.831
172 HE3 LYS 32 2HE LYS 32 -6.416 -8.915 -3.859
173 HZ1 LYS 32 1HZ LYS 32 -4.903 -10.436 -4.901
174 HZ2 LYS 32 2HZ LYS 32 -4.140 -9.002 -4.613
175 HZ3 LYS 32 3HZ LYS 32 -3.830 -10.309 -3.655
176 HA PRO 33 HA PRO 33 -6.602 -4.757 4.537
177 HB2 PRO 33 1HB PRO 33 -5.734 -7.371 5.852
178 HB3 PRO 33 2HB PRO 33 -6.694 -6.053 6.539
179 HG2 PRO 33 1HG PRO 33 -7.974 -8.221 5.686
180 HG3 PRO 33 2HG PRO 33 -8.641 -6.633 5.293
181 HD2 PRO 33 1HD PRO 33 -7.039 -8.530 3.544
182 HD3 PRO 33 2HD PRO 33 -8.455 -7.492 3.107
183 H LYS 34 H LYS 34 -4.797 -3.593 4.915
184 HA LYS 34 HA LYS 34 -2.313 -4.230 3.709
185 HB2 LYS 34 1HB LYS 34 -3.035 -1.926 4.298
186 HB3 LYS 34 2HB LYS 34 -2.870 -2.309 6.006
187 HG2 LYS 34 1HG LYS 34 -0.449 -2.687 5.687
188 HG3 LYS 34 2HG LYS 34 -0.620 -2.281 3.973
189 HD2 LYS 34 1HD LYS 34 0.130 -0.292 5.052
190 HD3 LYS 34 2HD LYS 34 -1.589 -0.046 4.714
191 HE2 LYS 34 1HE LYS 34 -2.170 -0.593 7.017
192 HE3 LYS 34 2HE LYS 34 -0.494 -1.011 7.380
193 HZ1 LYS 34 1HZ LYS 34 -1.039 1.184 8.136
194 HZ2 LYS 34 2HZ LYS 34 0.108 1.273 6.952
195 HZ3 LYS 34 3HZ LYS 34 -1.459 1.663 6.614
196 H LYS 35 H LYS 35 -0.817 -5.637 4.208
197 HA LYS 35 HA LYS 35 0.187 -5.909 6.899
198 HB2 LYS 35 1HB LYS 35 -1.886 -7.287 7.096
199 HB3 LYS 35 2HB LYS 35 -1.333 -8.292 5.764
200 HG2 LYS 35 1HG LYS 35 0.584 -9.044 7.072
201 HG3 LYS 35 2HG LYS 35 0.134 -7.961 8.396
202 HD2 LYS 35 1HD LYS 35 -2.009 -9.169 8.661
203 HD3 LYS 35 2HD LYS 35 -1.562 -10.251 7.334
204 HE2 LYS 35 1HE LYS 35 0.409 -11.015 8.619
205 HE3 LYS 35 2HE LYS 35 -0.036 -9.936 9.945
206 HZ1 LYS 35 1HZ LYS 35 -0.783 -12.167 10.333
207 HZ2 LYS 35 2HZ LYS 35 -2.084 -11.164 10.179
208 HZ3 LYS 35 3HZ LYS 35 -1.668 -12.171 8.941
Start of MODEL 19
1 H1 LYS 15 1H LYS 15 8.615 -5.789 4.888
2 H2 LYS 15 2H LYS 15 9.865 -4.745 4.998
3 H3 LYS 15 3H LYS 15 8.482 -4.449 5.812
4 HA LYS 15 HA LYS 15 8.808 -4.490 2.919
5 HB2 LYS 15 1HB LYS 15 6.377 -3.973 4.673
6 HB3 LYS 15 2HB LYS 15 6.448 -3.565 2.964
7 HG2 LYS 15 1HG LYS 15 6.800 -5.944 2.407
8 HG3 LYS 15 2HG LYS 15 6.722 -6.353 4.126
9 HD2 LYS 15 1HD LYS 15 4.425 -5.535 4.261
10 HD3 LYS 15 2HD LYS 15 4.493 -4.975 2.584
11 HE2 LYS 15 1HE LYS 15 4.778 -7.281 1.797
12 HE3 LYS 15 2HE LYS 15 4.802 -7.870 3.461
13 HZ1 LYS 15 1HZ LYS 15 2.654 -8.139 2.463
14 HZ2 LYS 15 2HZ LYS 15 2.555 -7.071 3.716
15 HZ3 LYS 15 3HZ LYS 15 2.531 -6.522 2.161
16 H LYS 16 H LYS 16 8.848 -2.508 1.894
17 HA LYS 16 HA LYS 16 9.761 -0.263 3.538
18 HB2 LYS 16 1HB LYS 16 9.304 -0.550 0.544
19 HB3 LYS 16 2HB LYS 16 9.927 0.905 1.308
20 HG2 LYS 16 1HG LYS 16 11.873 -0.378 2.147
21 HG3 LYS 16 2HG LYS 16 11.249 -1.824 1.339
22 HD2 LYS 16 1HD LYS 16 11.376 -0.660 -0.843
23 HD3 LYS 16 2HD LYS 16 12.001 0.785 -0.034
24 HE2 LYS 16 1HE LYS 16 13.963 -0.497 0.748
25 HE3 LYS 16 2HE LYS 16 13.340 -1.946 -0.042
26 HZ1 LYS 16 1HZ LYS 16 14.972 -0.843 -1.386
27 HZ2 LYS 16 2HZ LYS 16 13.508 -0.802 -2.145
28 HZ3 LYS 16 3HZ LYS 16 14.092 0.552 -1.406
29 HA PRO 17 HA PRO 17 6.146 2.017 4.172
30 HB2 PRO 17 1HB PRO 17 7.566 4.287 2.716
31 HB3 PRO 17 2HB PRO 17 6.694 4.332 4.253
32 HG2 PRO 17 1HG PRO 17 9.348 4.256 4.324
33 HG3 PRO 17 2HG PRO 17 8.443 3.228 5.439
34 HD2 PRO 17 1HD PRO 17 9.809 2.488 2.824
35 HD3 PRO 17 2HD PRO 17 9.758 1.573 4.385
36 H LEU 18 H LEU 18 7.685 2.324 0.968
37 HA LEU 18 HA LEU 18 5.349 3.199 -0.441
38 HB2 LEU 18 1HB LEU 18 7.844 1.734 -1.360
39 HB3 LEU 18 2HB LEU 18 6.598 2.329 -2.462
40 HG LEU 18 HG LEU 18 8.239 4.084 -0.599
41 HD11 LEU 18 1HD1 LEU 18 9.418 4.759 -2.644
42 HD12 LEU 18 1HD2 LEU 18 9.630 3.025 -2.304
43 HD13 LEU 18 1HD3 LEU 18 8.499 3.552 -3.573
44 HD21 LEU 18 2HD1 LEU 18 7.288 5.905 -1.974
45 HD22 LEU 18 2HD2 LEU 18 6.338 4.714 -2.895
46 HD23 LEU 18 2HD3 LEU 18 6.003 4.975 -1.167
47 H GLY 19 H GLY 19 6.711 -0.014 0.236
48 HA2 GLY 19 1HA GLY 19 4.757 -1.488 -1.285
49 HA3 GLY 19 2HA GLY 19 5.798 -2.136 -0.030
50 H LYS 20 H LYS 20 4.938 -0.299 2.054
51 HA LYS 20 HA LYS 20 2.610 -1.652 3.028
52 HB2 LYS 20 1HB LYS 20 3.961 0.935 3.881
53 HB3 LYS 20 2HB LYS 20 2.599 0.230 4.741
54 HG2 LYS 20 1HG LYS 20 3.909 -1.791 5.210
55 HG3 LYS 20 2HG LYS 20 5.274 -1.128 4.299
56 HD2 LYS 20 1HD LYS 20 5.385 0.786 5.875
57 HD3 LYS 20 2HD LYS 20 4.040 0.094 6.795
58 HE2 LYS 20 1HE LYS 20 5.388 -1.925 7.254
59 HE3 LYS 20 2HE LYS 20 6.729 -1.247 6.328
60 HZ1 LYS 20 1HZ LYS 20 7.008 -0.894 8.669
61 HZ2 LYS 20 2HZ LYS 20 6.832 0.557 7.906
62 HZ3 LYS 20 3HZ LYS 20 5.580 -0.076 8.772
63 H MET 21 H MET 21 3.073 1.506 1.460
64 HA MET 21 HA MET 21 0.303 2.267 1.604
65 HB2 MET 21 1HB MET 21 2.605 3.133 -0.174
66 HB3 MET 21 2HB MET 21 0.994 3.819 -0.324
67 HG2 MET 21 1HG MET 21 2.791 3.948 2.111
68 HG3 MET 21 2HG MET 21 2.390 5.269 1.011
69 HE1 MET 21 1HE MET 21 -1.439 5.792 1.733
70 HE2 MET 21 2HE MET 21 -0.024 6.355 0.808
71 HE3 MET 21 3HE MET 21 -0.721 4.750 0.480
72 H ALA 22 H ALA 22 2.225 0.476 -0.772
73 HA ALA 22 HA ALA 22 0.239 0.234 -2.774
74 HB1 ALA 22 1HB ALA 22 1.460 -1.804 -3.462
75 HB2 ALA 22 2HB ALA 22 2.570 -0.456 -3.114
76 HB3 ALA 22 3HB ALA 22 2.366 -1.769 -1.931
77 H ASP 23 H ASP 23 0.877 -1.795 0.090
78 HA ASP 23 HA ASP 23 -1.323 -3.581 -0.378
79 HB2 ASP 23 1HB ASP 23 0.279 -2.855 2.094
80 HB3 ASP 23 2HB ASP 23 -1.058 -3.995 2.158
81 H TRP 24 H TRP 24 -0.999 -0.490 1.310
82 HA TRP 24 HA TRP 24 -3.584 -0.423 2.495
83 HB2 TRP 24 1HB TRP 24 -1.750 1.195 2.990
84 HB3 TRP 24 2HB TRP 24 -1.945 1.891 1.388
85 HD1 TRP 24 1HD TRP 24 -3.748 1.643 4.786
86 HE1 TRP 24 1HE TRP 24 -5.512 3.528 4.938
87 HE3 TRP 24 3HE TRP 24 -3.412 3.425 -0.012
88 HZ2 TRP 24 2HZ TRP 24 -6.595 5.500 3.233
89 HZ3 TRP 24 3HZ TRP 24 -4.842 5.312 -0.688
90 HH2 TRP 24 2HH TRP 24 -6.409 6.341 0.905
91 H PHE 25 H PHE 25 -2.445 0.595 -0.727
92 HA PHE 25 HA PHE 25 -5.008 1.493 -1.651
93 HB2 PHE 25 1HB PHE 25 -2.470 0.591 -3.035
94 HB3 PHE 25 2HB PHE 25 -3.913 0.975 -3.960
95 HD1 PHE 25 1HD PHE 25 -0.937 2.266 -2.706
96 HD2 PHE 25 2HD PHE 25 -5.043 3.305 -3.257
97 HE1 PHE 25 1HE PHE 25 -0.337 4.663 -2.642
98 HE2 PHE 25 2HE PHE 25 -4.447 5.703 -3.196
99 HZ PHE 25 HZ PHE 25 -2.093 6.382 -2.886
100 H ARG 26 H ARG 26 -3.383 -1.655 -1.652
101 HA ARG 26 HA ARG 26 -5.343 -3.022 -3.236
102 HB2 ARG 26 1HB ARG 26 -3.372 -3.978 -1.141
103 HB3 ARG 26 2HB ARG 26 -4.430 -5.072 -2.020
104 HG2 ARG 26 1HG ARG 26 -3.394 -4.523 -4.113
105 HG3 ARG 26 2HG ARG 26 -2.461 -3.206 -3.360
106 HD2 ARG 26 1HD ARG 26 -1.231 -4.771 -2.038
107 HD3 ARG 26 2HD ARG 26 -2.235 -6.115 -2.629
108 HE ARG 26 HE ARG 26 -1.274 -5.179 -4.936
109 HH11 ARG 26 1HH1 ARG 26 0.355 -5.771 -1.881
110 HH12 ARG 26 1HH2 ARG 26 1.893 -6.139 -2.629
111 HH21 ARG 26 2HH1 ARG 26 0.727 -5.659 -5.896
112 HH22 ARG 26 2HH2 ARG 26 2.104 -6.077 -4.901
113 H GLN 27 H GLN 27 -5.069 -2.325 0.231
114 HA GLN 27 HA GLN 27 -7.364 -3.795 1.073
115 HB2 GLN 27 1HB GLN 27 -5.690 -2.799 2.626
116 HB3 GLN 27 2HB GLN 27 -6.244 -1.190 2.187
117 HG2 GLN 27 1HG GLN 27 -8.439 -1.642 3.125
118 HG3 GLN 27 2HG GLN 27 -7.947 -3.317 3.502
119 HE21 GLN 27 2HE1 GLN 27 -7.514 -0.635 6.309
120 HE22 GLN 27 2HE2 GLN 27 -8.696 -0.672 5.042
121 H THR 28 H THR 28 -6.992 -0.487 -0.183
122 HA THR 28 HA THR 28 -9.764 0.209 0.183
123 HB THR 28 HB THR 28 -7.653 1.411 -1.661
124 HG1 THR 28 1HG THR 28 -7.093 1.663 0.496
125 HG21 THR 28 2HG1 THR 28 -9.137 3.376 -1.713
126 HG22 THR 28 2HG2 THR 28 -9.950 1.946 -2.396
127 HG23 THR 28 2HG3 THR 28 -10.347 2.494 -0.751
128 H LEU 29 H LEU 29 -7.905 -1.169 -2.514
129 HA LEU 29 HA LEU 29 -10.251 -0.756 -4.285
130 HB2 LEU 29 1HB LEU 29 -7.375 -1.513 -4.914
131 HB3 LEU 29 2HB LEU 29 -8.646 -1.264 -6.114
132 HG LEU 29 HG LEU 29 -7.570 0.868 -4.234
133 HD11 LEU 29 1HD1 LEU 29 -6.526 1.780 -6.259
134 HD12 LEU 29 1HD2 LEU 29 -5.916 0.152 -5.881
135 HD13 LEU 29 1HD3 LEU 29 -7.103 0.376 -7.188
136 HD21 LEU 29 2HD1 LEU 29 -8.888 2.391 -5.667
137 HD22 LEU 29 2HD2 LEU 29 -9.499 0.995 -6.589
138 HD23 LEU 29 2HD3 LEU 29 -9.936 1.190 -4.874
139 H LEU 30 H LEU 30 -8.030 -3.291 -3.142
140 HA LEU 30 HA LEU 30 -9.637 -5.288 -4.661
141 HB2 LEU 30 1HB LEU 30 -6.856 -5.502 -3.456
142 HB3 LEU 30 2HB LEU 30 -7.682 -6.777 -4.356
143 HG LEU 30 HG LEU 30 -6.807 -4.092 -5.480
144 HD11 LEU 30 1HD1 LEU 30 -5.173 -5.441 -6.719
145 HD12 LEU 30 1HD2 LEU 30 -4.941 -5.577 -4.960
146 HD13 LEU 30 1HD3 LEU 30 -5.725 -6.898 -5.859
147 HD21 LEU 30 2HD1 LEU 30 -7.478 -5.082 -7.644
148 HD22 LEU 30 2HD2 LEU 30 -8.063 -6.535 -6.798
149 HD23 LEU 30 2HD3 LEU 30 -8.866 -4.968 -6.534
150 H LYS 31 H LYS 31 -9.747 -3.964 -1.742
151 HA LYS 31 HA LYS 31 -10.408 -4.641 0.358
152 HB2 LYS 31 1HB LYS 31 -11.491 -7.037 -1.181
153 HB3 LYS 31 2HB LYS 31 -11.938 -6.596 0.461
154 HG2 LYS 31 1HG LYS 31 -12.858 -4.447 -0.387
155 HG3 LYS 31 2HG LYS 31 -12.464 -4.957 -2.035
156 HD2 LYS 31 1HD LYS 31 -13.919 -6.952 -1.753
157 HD3 LYS 31 2HD LYS 31 -14.335 -6.404 -0.123
158 HE2 LYS 31 1HE LYS 31 -15.305 -4.337 -1.053
159 HE3 LYS 31 2HE LYS 31 -14.863 -4.849 -2.683
160 HZ1 LYS 31 1HZ LYS 31 -17.146 -5.335 -2.194
161 HZ2 LYS 31 2HZ LYS 31 -16.314 -6.742 -2.419
162 HZ3 LYS 31 3HZ LYS 31 -16.728 -6.262 -0.896
163 H LYS 32 H LYS 32 -7.745 -5.209 -0.291
164 HA LYS 32 HA LYS 32 -7.341 -7.739 1.251
165 HB2 LYS 32 1HB LYS 32 -5.454 -6.299 -0.657
166 HB3 LYS 32 2HB LYS 32 -5.021 -7.706 0.305
167 HG2 LYS 32 1HG LYS 32 -6.751 -9.033 -0.869
168 HG3 LYS 32 2HG LYS 32 -7.149 -7.618 -1.853
169 HD2 LYS 32 1HD LYS 32 -4.828 -7.562 -2.714
170 HD3 LYS 32 2HD LYS 32 -4.433 -8.982 -1.733
171 HE2 LYS 32 1HE LYS 32 -6.178 -10.279 -2.951
172 HE3 LYS 32 2HE LYS 32 -6.501 -8.867 -3.960
173 HZ1 LYS 32 1HZ LYS 32 -5.009 -10.393 -5.027
174 HZ2 LYS 32 2HZ LYS 32 -4.229 -8.969 -4.728
175 HZ3 LYS 32 3HZ LYS 32 -3.928 -10.289 -3.786
176 HA PRO 33 HA PRO 33 -6.601 -4.740 4.442
177 HB2 PRO 33 1HB PRO 33 -5.859 -7.371 5.799
178 HB3 PRO 33 2HB PRO 33 -6.788 -6.014 6.449
179 HG2 PRO 33 1HG PRO 33 -8.122 -8.146 5.591
180 HG3 PRO 33 2HG PRO 33 -8.726 -6.542 5.168
181 HD2 PRO 33 1HD PRO 33 -7.148 -8.506 3.471
182 HD3 PRO 33 2HD PRO 33 -8.524 -7.432 2.995
183 H LYS 34 H LYS 34 -4.757 -3.644 4.824
184 HA LYS 34 HA LYS 34 -2.234 -4.459 3.794
185 HB2 LYS 34 1HB LYS 34 -2.864 -2.095 4.215
186 HB3 LYS 34 2HB LYS 34 -2.847 -2.395 5.947
187 HG2 LYS 34 1HG LYS 34 -0.435 -2.904 5.842
188 HG3 LYS 34 2HG LYS 34 -0.452 -2.601 4.099
189 HD2 LYS 34 1HD LYS 34 0.327 -0.591 5.130
190 HD3 LYS 34 2HD LYS 34 -1.338 -0.276 4.614
191 HE2 LYS 34 1HE LYS 34 -2.159 -0.639 6.880
192 HE3 LYS 34 2HE LYS 34 -0.550 -1.119 7.427
193 HZ1 LYS 34 1HZ LYS 34 -1.034 1.148 7.990
194 HZ2 LYS 34 2HZ LYS 34 0.219 1.097 6.919
195 HZ3 LYS 34 3HZ LYS 34 -1.284 1.546 6.409
196 H LYS 35 H LYS 35 -0.906 -5.964 4.453
197 HA LYS 35 HA LYS 35 -0.588 -6.371 7.389
198 HB2 LYS 35 1HB LYS 35 -0.884 -8.554 5.287
199 HB3 LYS 35 2HB LYS 35 -0.358 -8.836 6.941
200 HG2 LYS 35 1HG LYS 35 -2.529 -7.950 7.764
201 HG3 LYS 35 2HG LYS 35 -3.055 -7.746 6.087
202 HD2 LYS 35 1HD LYS 35 -2.739 -10.177 5.700
203 HD3 LYS 35 2HD LYS 35 -2.241 -10.373 7.388
204 HE2 LYS 35 1HE LYS 35 -4.453 -9.521 8.126
205 HE3 LYS 35 2HE LYS 35 -4.950 -9.366 6.439
206 HZ1 LYS 35 1HZ LYS 35 -5.729 -11.404 7.403
207 HZ2 LYS 35 2HZ LYS 35 -4.656 -11.734 6.194
208 HZ3 LYS 35 3HZ LYS 35 -4.193 -11.880 7.771
Start of MODEL 20
1 H1 LYS 15 1H LYS 15 8.549 -5.830 4.959
2 H2 LYS 15 2H LYS 15 9.786 -4.777 5.122
3 H3 LYS 15 3H LYS 15 8.379 -4.510 5.905
4 HA LYS 15 HA LYS 15 8.781 -4.490 3.021
5 HB2 LYS 15 1HB LYS 15 6.300 -4.036 4.722
6 HB3 LYS 15 2HB LYS 15 6.410 -3.586 3.026
7 HG2 LYS 15 1HG LYS 15 6.800 -5.947 2.419
8 HG3 LYS 15 2HG LYS 15 6.687 -6.398 4.126
9 HD2 LYS 15 1HD LYS 15 4.379 -5.627 4.233
10 HD3 LYS 15 2HD LYS 15 4.476 -4.995 2.582
11 HE2 LYS 15 1HE LYS 15 4.808 -7.263 1.705
12 HE3 LYS 15 2HE LYS 15 4.803 -7.921 3.343
13 HZ1 LYS 15 1HZ LYS 15 2.680 -8.173 2.286
14 HZ2 LYS 15 2HZ LYS 15 2.540 -7.159 3.581
15 HZ3 LYS 15 3HZ LYS 15 2.544 -6.546 2.049
16 H LYS 16 H LYS 16 8.832 -2.489 2.037
17 HA LYS 16 HA LYS 16 9.667 -0.271 3.767
18 HB2 LYS 16 1HB LYS 16 9.381 -0.512 0.747
19 HB3 LYS 16 2HB LYS 16 9.959 0.930 1.567
20 HG2 LYS 16 1HG LYS 16 11.856 -0.364 2.495
21 HG3 LYS 16 2HG LYS 16 11.281 -1.797 1.631
22 HD2 LYS 16 1HD LYS 16 11.529 -0.600 -0.521
23 HD3 LYS 16 2HD LYS 16 12.104 0.833 0.343
24 HE2 LYS 16 1HE LYS 16 14.022 -0.457 1.215
25 HE3 LYS 16 2HE LYS 16 13.447 -1.895 0.369
26 HZ1 LYS 16 1HZ LYS 16 15.150 -0.769 -0.863
27 HZ2 LYS 16 2HZ LYS 16 13.731 -0.719 -1.703
28 HZ3 LYS 16 3HZ LYS 16 14.270 0.624 -0.912
29 HA PRO 17 HA PRO 17 6.019 1.997 4.229
30 HB2 PRO 17 1HB PRO 17 7.504 4.281 2.862
31 HB3 PRO 17 2HB PRO 17 6.553 4.314 4.351
32 HG2 PRO 17 1HG PRO 17 9.199 4.247 4.562
33 HG3 PRO 17 2HG PRO 17 8.241 3.209 5.621
34 HD2 PRO 17 1HD PRO 17 9.747 2.489 3.080
35 HD3 PRO 17 2HD PRO 17 9.613 1.564 4.629
36 H LEU 18 H LEU 18 7.717 2.347 1.108
37 HA LEU 18 HA LEU 18 5.503 3.182 -0.463
38 HB2 LEU 18 1HB LEU 18 7.800 3.256 -1.287
39 HB3 LEU 18 2HB LEU 18 7.922 1.497 -1.200
40 HG LEU 18 HG LEU 18 6.188 1.312 -2.976
41 HD11 LEU 18 1HD1 LEU 18 5.542 3.330 -4.213
42 HD12 LEU 18 1HD2 LEU 18 5.008 3.399 -2.516
43 HD13 LEU 18 1HD3 LEU 18 6.429 4.333 -3.042
44 HD21 LEU 18 2HD1 LEU 18 7.651 2.105 -4.803
45 HD22 LEU 18 2HD2 LEU 18 8.570 3.092 -3.640
46 HD23 LEU 18 2HD3 LEU 18 8.600 1.316 -3.521
47 H GLY 19 H GLY 19 6.762 -0.099 0.205
48 HA2 GLY 19 1HA GLY 19 4.755 -1.488 -1.295
49 HA3 GLY 19 2HA GLY 19 5.765 -2.180 -0.039
50 H LYS 20 H LYS 20 4.932 -0.311 2.044
51 HA LYS 20 HA LYS 20 2.597 -1.650 3.016
52 HB2 LYS 20 1HB LYS 20 3.973 0.924 3.868
53 HB3 LYS 20 2HB LYS 20 2.594 0.247 4.722
54 HG2 LYS 20 1HG LYS 20 3.872 -1.800 5.197
55 HG3 LYS 20 2HG LYS 20 5.255 -1.147 4.309
56 HD2 LYS 20 1HD LYS 20 5.375 0.753 5.893
57 HD3 LYS 20 2HD LYS 20 3.996 0.090 6.785
58 HE2 LYS 20 1HE LYS 20 5.293 -1.960 7.266
59 HE3 LYS 20 2HE LYS 20 6.669 -1.303 6.376
60 HZ1 LYS 20 1HZ LYS 20 6.895 -0.964 8.726
61 HZ2 LYS 20 2HZ LYS 20 6.762 0.494 7.964
62 HZ3 LYS 20 3HZ LYS 20 5.479 -0.122 8.796
63 H MET 21 H MET 21 3.074 1.511 1.454
64 HA MET 21 HA MET 21 0.302 2.276 1.603
65 HB2 MET 21 1HB MET 21 2.613 3.163 -0.153
66 HB3 MET 21 2HB MET 21 1.003 3.851 -0.303
67 HG2 MET 21 1HG MET 21 2.794 3.951 2.139
68 HG3 MET 21 2HG MET 21 2.388 5.286 1.059
69 HE1 MET 21 1HE MET 21 -1.447 5.775 1.782
70 HE2 MET 21 2HE MET 21 -0.038 6.358 0.862
71 HE3 MET 21 3HE MET 21 -0.723 4.750 0.520
72 H ALA 22 H ALA 22 2.230 0.494 -0.771
73 HA ALA 22 HA ALA 22 0.240 0.270 -2.779
74 HB1 ALA 22 1HB ALA 22 1.471 -1.755 -3.489
75 HB2 ALA 22 2HB ALA 22 2.573 -0.404 -3.134
76 HB3 ALA 22 3HB ALA 22 2.382 -1.727 -1.961
77 H ASP 23 H ASP 23 0.890 -1.759 0.079
78 HA ASP 23 HA ASP 23 -1.300 -3.560 -0.398
79 HB2 ASP 23 1HB ASP 23 0.302 -2.837 2.076
80 HB3 ASP 23 2HB ASP 23 -1.028 -3.986 2.136
81 H TRP 24 H TRP 24 -0.987 -0.478 1.309
82 HA TRP 24 HA TRP 24 -3.563 -0.417 2.501
83 HB2 TRP 24 1HB TRP 24 -1.750 1.221 2.978
84 HB3 TRP 24 2HB TRP 24 -1.938 1.894 1.366
85 HD1 TRP 24 1HD TRP 24 -3.714 1.729 4.775
86 HE1 TRP 24 1HE TRP 24 -5.500 3.595 4.887
87 HE3 TRP 24 3HE TRP 24 -3.465 3.347 -0.085
88 HZ2 TRP 24 2HZ TRP 24 -6.632 5.492 3.129
89 HZ3 TRP 24 3HZ TRP 24 -4.930 5.191 -0.807
90 HH2 TRP 24 2HH TRP 24 -6.489 6.254 0.771
91 H PHE 25 H PHE 25 -2.461 0.648 -0.724
92 HA PHE 25 HA PHE 25 -5.023 1.485 -1.664
93 HB2 PHE 25 1HB PHE 25 -2.499 0.530 -3.036
94 HB3 PHE 25 2HB PHE 25 -3.947 0.885 -3.964
95 HD1 PHE 25 1HD PHE 25 -0.959 2.212 -2.783
96 HD2 PHE 25 2HD PHE 25 -5.071 3.239 -3.320
97 HE1 PHE 25 1HE PHE 25 -0.356 4.609 -2.803
98 HE2 PHE 25 2HE PHE 25 -4.472 5.638 -3.342
99 HZ PHE 25 HZ PHE 25 -2.112 6.322 -3.081
100 H ARG 26 H ARG 26 -3.385 -1.668 -1.675
101 HA ARG 26 HA ARG 26 -5.377 -3.050 -3.194
102 HB2 ARG 26 1HB ARG 26 -3.361 -3.995 -1.137
103 HB3 ARG 26 2HB ARG 26 -4.423 -5.093 -2.004
104 HG2 ARG 26 1HG ARG 26 -3.423 -4.531 -4.110
105 HG3 ARG 26 2HG ARG 26 -2.491 -3.207 -3.370
106 HD2 ARG 26 1HD ARG 26 -1.230 -4.767 -2.065
107 HD3 ARG 26 2HD ARG 26 -2.226 -6.118 -2.654
108 HE ARG 26 HE ARG 26 -1.305 -5.160 -4.966
109 HH11 ARG 26 1HH1 ARG 26 0.371 -5.738 -1.932
110 HH12 ARG 26 1HH2 ARG 26 1.905 -6.080 -2.700
111 HH21 ARG 26 2HH1 ARG 26 0.692 -5.606 -5.951
112 HH22 ARG 26 2HH2 ARG 26 2.088 -6.007 -4.975
113 H GLN 27 H GLN 27 -5.086 -2.227 0.224
114 HA GLN 27 HA GLN 27 -7.263 -3.813 1.174
115 HB2 GLN 27 1HB GLN 27 -5.608 -2.664 2.646
116 HB3 GLN 27 2HB GLN 27 -6.286 -1.110 2.183
117 HG2 GLN 27 1HG GLN 27 -8.411 -1.678 3.205
118 HG3 GLN 27 2HG GLN 27 -7.804 -3.311 3.597
119 HE21 GLN 27 2HE1 GLN 27 -7.404 -0.464 6.284
120 HE22 GLN 27 2HE2 GLN 27 -8.588 -0.544 5.022
121 H THR 28 H THR 28 -7.117 -0.627 -0.358
122 HA THR 28 HA THR 28 -9.974 -0.158 0.170
123 HB THR 28 HB THR 28 -9.607 2.013 -0.945
124 HG1 THR 28 1HG THR 28 -7.379 0.691 -1.874
125 HG21 THR 28 2HG1 THR 28 -7.942 2.939 0.617
126 HG22 THR 28 2HG2 THR 28 -9.022 1.790 1.444
127 HG23 THR 28 2HG3 THR 28 -7.374 1.296 0.993
128 H LEU 29 H LEU 29 -7.960 -1.418 -2.350
129 HA LEU 29 HA LEU 29 -10.098 -0.951 -4.369
130 HB2 LEU 29 1HB LEU 29 -7.175 -1.722 -4.687
131 HB3 LEU 29 2HB LEU 29 -8.320 -1.548 -6.021
132 HG LEU 29 HG LEU 29 -7.461 0.686 -4.148
133 HD11 LEU 29 1HD1 LEU 29 -6.226 1.514 -6.100
134 HD12 LEU 29 1HD2 LEU 29 -5.642 -0.085 -5.581
135 HD13 LEU 29 1HD3 LEU 29 -6.691 0.059 -7.012
136 HD21 LEU 29 2HD1 LEU 29 -8.641 2.119 -5.781
137 HD22 LEU 29 2HD2 LEU 29 -9.141 0.672 -6.690
138 HD23 LEU 29 2HD3 LEU 29 -9.753 0.943 -5.041
139 H LEU 30 H LEU 30 -7.984 -3.481 -3.015
140 HA LEU 30 HA LEU 30 -9.579 -5.497 -4.530
141 HB2 LEU 30 1HB LEU 30 -6.792 -5.705 -3.336
142 HB3 LEU 30 2HB LEU 30 -7.631 -6.992 -4.206
143 HG LEU 30 HG LEU 30 -6.753 -4.334 -5.391
144 HD11 LEU 30 1HD1 LEU 30 -5.120 -5.710 -6.601
145 HD12 LEU 30 1HD2 LEU 30 -4.883 -5.804 -4.840
146 HD13 LEU 30 1HD3 LEU 30 -5.668 -7.147 -5.706
147 HD21 LEU 30 2HD1 LEU 30 -7.428 -5.376 -7.529
148 HD22 LEU 30 2HD2 LEU 30 -8.009 -6.809 -6.648
149 HD23 LEU 30 2HD3 LEU 30 -8.813 -5.238 -6.420
150 H LYS 31 H LYS 31 -9.689 -4.111 -1.649
151 HA LYS 31 HA LYS 31 -10.326 -4.735 0.474
152 HB2 LYS 31 1HB LYS 31 -11.378 -7.196 -0.980
153 HB3 LYS 31 2HB LYS 31 -11.819 -6.712 0.651
154 HG2 LYS 31 1HG LYS 31 -12.785 -4.608 -0.255
155 HG3 LYS 31 2HG LYS 31 -12.395 -5.163 -1.889
156 HD2 LYS 31 1HD LYS 31 -13.811 -7.172 -1.532
157 HD3 LYS 31 2HD LYS 31 -14.224 -6.580 0.084
158 HE2 LYS 31 1HE LYS 31 -15.239 -4.561 -0.902
159 HE3 LYS 31 2HE LYS 31 -14.801 -5.117 -2.519
160 HZ1 LYS 31 1HZ LYS 31 -17.071 -5.628 -1.994
161 HZ2 LYS 31 2HZ LYS 31 -16.217 -7.026 -2.182
162 HZ3 LYS 31 3HZ LYS 31 -16.625 -6.506 -0.671
163 H LYS 32 H LYS 32 -7.660 -5.259 -0.156
164 HA LYS 32 HA LYS 32 -7.194 -7.755 1.421
165 HB2 LYS 32 1HB LYS 32 -5.351 -6.306 -0.522
166 HB3 LYS 32 2HB LYS 32 -4.878 -7.684 0.462
167 HG2 LYS 32 1HG LYS 32 -6.589 -9.072 -0.675
168 HG3 LYS 32 2HG LYS 32 -7.018 -7.684 -1.686
169 HD2 LYS 32 1HD LYS 32 -4.705 -7.602 -2.560
170 HD3 LYS 32 2HD LYS 32 -4.272 -8.986 -1.546
171 HE2 LYS 32 1HE LYS 32 -5.993 -10.352 -2.722
172 HE3 LYS 32 2HE LYS 32 -6.348 -8.976 -3.769
173 HZ1 LYS 32 1HZ LYS 32 -4.826 -10.496 -4.798
174 HZ2 LYS 32 2HZ LYS 32 -4.077 -9.049 -4.539
175 HZ3 LYS 32 3HZ LYS 32 -3.746 -10.338 -3.562
176 HA PRO 33 HA PRO 33 -6.493 -4.705 4.569
177 HB2 PRO 33 1HB PRO 33 -5.666 -7.300 5.946
178 HB3 PRO 33 2HB PRO 33 -6.626 -5.961 6.592
179 HG2 PRO 33 1HG PRO 33 -7.909 -8.138 5.771
180 HG3 PRO 33 2HG PRO 33 -8.561 -6.556 5.337
181 HD2 PRO 33 1HD PRO 33 -6.945 -8.496 3.647
182 HD3 PRO 33 2HD PRO 33 -8.357 -7.467 3.173
183 H LYS 34 H LYS 34 -4.675 -3.558 4.925
184 HA LYS 34 HA LYS 34 -2.153 -4.309 3.846
185 HB2 LYS 34 1HB LYS 34 -2.846 -1.960 4.265
186 HB3 LYS 34 2HB LYS 34 -2.774 -2.246 5.998
187 HG2 LYS 34 1HG LYS 34 -0.350 -2.686 5.829
188 HG3 LYS 34 2HG LYS 34 -0.425 -2.391 4.087
189 HD2 LYS 34 1HD LYS 34 0.320 -0.353 5.082
190 HD3 LYS 34 2HD LYS 34 -1.371 -0.092 4.625
191 HE2 LYS 34 1HE LYS 34 -2.098 -0.476 6.920
192 HE3 LYS 34 2HE LYS 34 -0.455 -0.900 7.410
193 HZ1 LYS 34 1HZ LYS 34 -0.993 1.351 7.985
194 HZ2 LYS 34 2HZ LYS 34 0.222 1.338 6.869
195 HZ3 LYS 34 3HZ LYS 34 -1.313 1.735 6.414
196 H LYS 35 H LYS 35 -0.554 -5.522 4.537
197 HA LYS 35 HA LYS 35 0.038 -5.825 7.367
198 HB2 LYS 35 1HB LYS 35 -1.864 -7.420 7.108
199 HB3 LYS 35 2HB LYS 35 -0.974 -8.260 5.845
200 HG2 LYS 35 1HG LYS 35 0.759 -8.905 7.437
201 HG3 LYS 35 2HG LYS 35 -0.039 -7.977 8.715
202 HD2 LYS 35 1HD LYS 35 -2.039 -9.419 8.520
203 HD3 LYS 35 2HD LYS 35 -1.249 -10.343 7.234
204 HE2 LYS 35 1HE LYS 35 0.545 -10.996 8.807
205 HE3 LYS 35 2HE LYS 35 -0.241 -10.075 10.091
206 HZ1 LYS 35 1HZ LYS 35 -0.785 -12.395 10.208
207 HZ2 LYS 35 2HZ LYS 35 -2.145 -11.521 9.881
208 HZ3 LYS 35 3HZ LYS 35 -1.409 -12.382 8.681
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