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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|
15794 |
1yyb   |
6556 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H SER 1 H SER 1 -36.116 -1.524 -2.388
2 HA SER 1 HA SER 1 -34.032 -2.052 -3.160
3 1HB SER 1 1HB SER 1 -33.832 0.756 -4.276
4 2HB SER 1 2HB SER 1 -32.700 -0.584 -4.528
5 HG SER 1 HG SER 1 -33.868 -0.984 -6.224
6 H ALA 2 H ALA 2 -35.040 -1.188 -0.728
7 HA ALA 2 HA ALA 2 -33.916 0.912 0.596
8 1HB ALA 2 1HB ALA 2 -35.368 -0.432 1.828
9 2HB ALA 2 2HB ALA 2 -33.800 -0.736 2.576
10 3HB ALA 2 3HB ALA 2 -34.476 -1.904 1.440
11 H ASP 3 H ASP 3 -32.484 -2.332 0.632
12 HA ASP 3 HA ASP 3 -29.884 -1.312 1.356
13 1HB ASP 3 1HB ASP 3 -30.688 -3.432 2.284
14 2HB ASP 3 2HB ASP 3 -30.844 -4.096 0.652
15 H GLU 4 H GLU 4 -31.484 -2.668 -1.440
16 HA GLU 4 HA GLU 4 -29.336 -3.116 -3.132
17 1HB GLU 4 1HB GLU 4 -31.376 -3.960 -3.840
18 2HB GLU 4 2HB GLU 4 -32.224 -2.456 -3.516
19 1HG GLU 4 1HG GLU 4 -31.152 -1.440 -5.468
20 2HG GLU 4 2HG GLU 4 -30.304 -2.952 -5.788
21 H GLU 5 H GLU 5 -31.416 -0.204 -3.036
22 HA GLU 5 HA GLU 5 -30.084 1.332 -4.896
23 1HB GLU 5 1HB GLU 5 -32.196 1.752 -3.332
24 2HB GLU 5 2HB GLU 5 -31.012 2.656 -2.404
25 1HG GLU 5 1HG GLU 5 -31.488 3.096 -5.332
26 2HG GLU 5 2HG GLU 5 -32.356 3.972 -4.072
27 H LEU 6 H LEU 6 -29.572 1.296 -1.384
28 HA LEU 6 HA LEU 6 -27.336 2.956 -1.304
29 1HB LEU 6 1HB LEU 6 -28.812 1.448 0.528
30 2HB LEU 6 2HB LEU 6 -27.188 0.764 0.592
31 HG LEU 6 HG LEU 6 -26.256 2.924 1.172
32 1HD1 LEU 6 1HD1 LEU 6 -27.972 4.772 1.724
33 2HD1 LEU 6 2HD1 LEU 6 -29.032 3.892 0.620
34 3HD1 LEU 6 3HD1 LEU 6 -27.488 4.528 0.044
35 1HD2 LEU 6 1HD2 LEU 6 -27.596 1.360 2.844
36 2HD2 LEU 6 2HD2 LEU 6 -28.600 2.804 2.988
37 3HD2 LEU 6 3HD2 LEU 6 -26.876 2.884 3.364
38 H GLU 7 H GLU 7 -27.768 -0.428 -1.936
39 HA GLU 7 HA GLU 7 -25.164 -1.304 -1.672
40 1HB GLU 7 1HB GLU 7 -27.548 -2.396 -2.628
41 2HB GLU 7 2HB GLU 7 -26.456 -2.500 -3.996
42 1HG GLU 7 1HG GLU 7 -24.828 -3.444 -2.108
43 2HG GLU 7 2HG GLU 7 -26.376 -3.900 -1.400
44 H ALA 8 H ALA 8 -26.736 0.360 -4.328
45 HA ALA 8 HA ALA 8 -24.484 0.244 -6.104
46 1HB ALA 8 1HB ALA 8 -26.000 0.948 -7.580
47 2HB ALA 8 2HB ALA 8 -26.224 2.448 -6.676
48 3HB ALA 8 3HB ALA 8 -27.188 1.028 -6.276
49 H LEU 9 H LEU 9 -25.672 2.328 -3.612
50 HA LEU 9 HA LEU 9 -24.000 4.568 -4.164
51 1HB LEU 9 1HB LEU 9 -26.160 4.748 -2.980
52 2HB LEU 9 2HB LEU 9 -25.496 3.808 -1.648
53 HG LEU 9 HG LEU 9 -24.144 5.556 -0.920
54 1HD1 LEU 9 1HD1 LEU 9 -22.900 6.324 -2.668
55 2HD1 LEU 9 2HD1 LEU 9 -24.012 7.680 -2.480
56 3HD1 LEU 9 3HD1 LEU 9 -24.292 6.476 -3.736
57 1HD2 LEU 9 1HD2 LEU 9 -25.636 7.648 -1.088
58 2HD2 LEU 9 2HD2 LEU 9 -26.300 6.204 -0.320
59 3HD2 LEU 9 3HD2 LEU 9 -26.744 6.604 -1.980
60 H ARG 10 H ARG 10 -23.956 1.932 -1.876
61 HA ARG 10 HA ARG 10 -21.512 2.736 -0.616
62 1HB ARG 10 1HB ARG 10 -22.532 -0.056 -0.412
63 2HB ARG 10 2HB ARG 10 -21.864 0.984 0.836
64 1HG ARG 10 1HG ARG 10 -24.324 2.096 -0.116
65 2HG ARG 10 2HG ARG 10 -24.580 0.412 0.328
66 1HD ARG 10 1HD ARG 10 -22.960 1.780 2.284
67 2HD ARG 10 2HD ARG 10 -24.464 2.656 1.984
68 HE ARG 10 HE ARG 10 -25.636 0.940 2.964
69 1HH1 ARG 10 1HH1 ARG 10 -22.340 -0.080 2.420
70 2HH1 ARG 10 2HH1 ARG 10 -22.508 -1.528 3.356
71 1HH2 ARG 10 1HH2 ARG 10 -25.852 -0.964 4.188
72 2HH2 ARG 10 2HH2 ARG 10 -24.500 -2.032 4.356
73 H ARG 11 H ARG 11 -22.416 0.700 -3.292
74 HA ARG 11 HA ARG 11 -19.772 -0.464 -3.444
75 1HB ARG 11 1HB ARG 11 -22.192 -0.608 -5.244
76 2HB ARG 11 2HB ARG 11 -20.652 -1.340 -5.664
77 1HG ARG 11 1HG ARG 11 -22.148 -1.992 -3.136
78 2HG ARG 11 2HG ARG 11 -22.364 -2.876 -4.648
79 1HD ARG 11 1HD ARG 11 -19.752 -3.068 -4.556
80 2HD ARG 11 2HD ARG 11 -19.992 -2.752 -2.840
81 HE ARG 11 HE ARG 11 -21.692 -4.832 -3.812
82 1HH1 ARG 11 1HH1 ARG 11 -18.460 -4.132 -2.704
83 2HH1 ARG 11 2HH1 ARG 11 -18.152 -5.756 -2.184
84 1HH2 ARG 11 1HH2 ARG 11 -21.292 -6.968 -3.128
85 2HH2 ARG 11 2HH2 ARG 11 -19.760 -7.364 -2.424
86 H GLN 12 H GLN 12 -21.584 2.188 -4.768
87 HA GLN 12 HA GLN 12 -19.824 2.700 -6.892
88 1HB GLN 12 1HB GLN 12 -21.956 4.220 -5.496
89 2HB GLN 12 2HB GLN 12 -20.776 5.172 -6.392
90 1HG GLN 12 1HG GLN 12 -21.340 4.136 -8.432
91 2HG GLN 12 2HG GLN 12 -22.264 2.872 -7.620
92 1HE2 GLN 12 1HE2 GLN 12 -22.464 5.732 -9.268
93 2HE2 GLN 12 2HE2 GLN 12 -24.060 6.208 -8.816
94 H ARG 13 H ARG 13 -20.080 4.044 -3.636
95 HA ARG 13 HA ARG 13 -17.636 5.532 -3.848
96 1HB ARG 13 1HB ARG 13 -19.160 4.840 -1.340
97 2HB ARG 13 2HB ARG 13 -18.020 6.160 -1.568
98 1HG ARG 13 1HG ARG 13 -20.352 6.140 -3.364
99 2HG ARG 13 2HG ARG 13 -20.680 6.460 -1.664
100 1HD ARG 13 1HD ARG 13 -18.584 8.076 -1.996
101 2HD ARG 13 2HD ARG 13 -19.184 8.068 -3.648
102 HE ARG 13 HE ARG 13 -21.408 8.564 -2.200
103 1HH1 ARG 13 1HH1 ARG 13 -18.244 10.028 -2.284
104 2HH1 ARG 13 2HH1 ARG 13 -18.820 11.600 -1.836
105 1HH2 ARG 13 1HH2 ARG 13 -22.172 10.628 -1.612
106 2HH2 ARG 13 2HH2 ARG 13 -21.048 11.940 -1.456
107 H LEU 14 H LEU 14 -18.608 2.396 -2.592
108 HA LEU 14 HA LEU 14 -16.120 1.948 -1.244
109 1HB LEU 14 1HB LEU 14 -18.244 1.008 -0.444
110 2HB LEU 14 2HB LEU 14 -18.312 0.000 -1.876
111 HG LEU 14 HG LEU 14 -17.504 -1.120 0.252
112 1HD1 LEU 14 1HD1 LEU 14 -16.188 -2.596 -0.924
113 2HD1 LEU 14 2HD1 LEU 14 -15.412 -1.320 -1.864
114 3HD1 LEU 14 3HD1 LEU 14 -17.072 -1.792 -2.224
115 1HD2 LEU 14 1HD2 LEU 14 -15.048 0.528 -0.336
116 2HD2 LEU 14 2HD2 LEU 14 -15.144 -0.800 0.824
117 3HD2 LEU 14 3HD2 LEU 14 -16.088 0.668 1.080
118 H ALA 15 H ALA 15 -17.644 0.352 -4.052
119 HA ALA 15 HA ALA 15 -15.544 -1.296 -4.744
120 1HB ALA 15 1HB ALA 15 -17.168 0.036 -6.872
121 2HB ALA 15 2HB ALA 15 -17.904 -1.112 -5.756
122 3HB ALA 15 3HB ALA 15 -16.576 -1.624 -6.796
123 H GLU 16 H GLU 16 -16.128 2.024 -5.888
124 HA GLU 16 HA GLU 16 -13.892 2.200 -7.560
125 1HB GLU 16 1HB GLU 16 -15.976 3.852 -6.928
126 2HB GLU 16 2HB GLU 16 -14.624 4.688 -6.176
127 1HG GLU 16 1HG GLU 16 -13.440 4.672 -8.324
128 2HG GLU 16 2HG GLU 16 -14.824 3.868 -9.068
129 H LEU 17 H LEU 17 -14.272 3.284 -4.188
130 HA LEU 17 HA LEU 17 -11.632 4.176 -3.848
131 1HB LEU 17 1HB LEU 17 -13.884 3.456 -2.068
132 2HB LEU 17 2HB LEU 17 -12.288 3.460 -1.340
133 HG LEU 17 HG LEU 17 -13.472 5.596 -1.032
134 1HD1 LEU 17 1HD1 LEU 17 -11.004 5.480 -1.116
135 2HD1 LEU 17 2HD1 LEU 17 -11.648 7.032 -1.648
136 3HD1 LEU 17 3HD1 LEU 17 -11.076 5.860 -2.836
137 1HD2 LEU 17 1HD2 LEU 17 -14.816 5.972 -2.860
138 2HD2 LEU 17 2HD2 LEU 17 -13.572 5.472 -4.008
139 3HD2 LEU 17 3HD2 LEU 17 -13.460 7.040 -3.212
140 H GLN 18 H GLN 18 -13.132 1.064 -3.016
141 HA GLN 18 HA GLN 18 -10.840 -0.156 -1.972
142 1HB GLN 18 1HB GLN 18 -13.432 -1.112 -3.064
143 2HB GLN 18 2HB GLN 18 -12.140 -2.292 -2.900
144 1HG GLN 18 1HG GLN 18 -11.960 -1.304 -0.488
145 2HG GLN 18 2HG GLN 18 -13.616 -0.788 -0.804
146 1HE2 GLN 18 1HE2 GLN 18 -12.472 -2.796 1.060
147 2HE2 GLN 18 2HE2 GLN 18 -13.324 -4.260 0.724
148 H ALA 19 H ALA 19 -11.688 0.612 -5.208
149 HA ALA 19 HA ALA 19 -10.016 -1.384 -6.444
150 1HB ALA 19 1HB ALA 19 -11.288 1.084 -7.628
151 2HB ALA 19 2HB ALA 19 -12.000 -0.528 -7.588
152 3HB ALA 19 3HB ALA 19 -10.540 -0.232 -8.528
153 H LYS 20 H LYS 20 -9.700 1.936 -5.400
154 HA LYS 20 HA LYS 20 -7.044 2.128 -6.616
155 1HB LYS 20 1HB LYS 20 -8.812 4.184 -5.296
156 2HB LYS 20 2HB LYS 20 -7.172 4.520 -5.832
157 1HG LYS 20 1HG LYS 20 -8.156 3.516 -8.100
158 2HG LYS 20 2HG LYS 20 -9.648 4.144 -7.404
159 1HD LYS 20 1HD LYS 20 -8.968 6.028 -8.472
160 2HD LYS 20 2HD LYS 20 -8.072 6.252 -6.968
161 1HE LYS 20 1HE LYS 20 -6.324 4.740 -8.368
162 2HE LYS 20 2HE LYS 20 -7.108 5.620 -9.680
163 1HZ LYS 20 1HZ LYS 20 -6.016 6.984 -7.288
164 2HZ LYS 20 2HZ LYS 20 -6.452 7.668 -8.772
165 3HZ LYS 20 3HZ LYS 20 -5.080 6.688 -8.664
166 H HIS 21 H HIS 21 -7.624 0.400 -4.312
167 HA HIS 21 HA HIS 21 -6.312 1.724 -2.084
168 1HB HIS 21 1HB HIS 21 -6.752 -0.348 -0.856
169 2HB HIS 21 2HB HIS 21 -8.220 0.244 -1.636
170 HD1 HIS 21 HD1 HIS 21 -8.484 -2.560 -0.976
171 HD2 HIS 21 HD2 HIS 21 -6.488 -1.392 -4.428
172 HE1 HIS 21 HE1 HIS 21 -8.528 -4.568 -2.488
173 HE2 HIS 21 HE2 HIS 21 -7.392 -3.808 -4.604
174 H GLY 22 H GLY 22 -4.752 -0.040 -0.900
175 1HA GLY 22 1HA GLY 22 -3.068 -1.780 -1.816
176 2HA GLY 22 2HA GLY 22 -2.596 -0.444 -2.856
177 H ASP 23 H ASP 23 -0.688 -1.544 -1.316
178 HA ASP 23 HA ASP 23 0.316 0.640 0.128
179 1HB ASP 23 1HB ASP 23 -1.528 -0.340 1.688
180 2HB ASP 23 2HB ASP 23 -0.344 -1.612 2.000
181 HA PRO 24 HA PRO 24 3.380 -2.544 -1.216
182 1HB PRO 24 1HB PRO 24 5.148 -0.764 -2.248
183 2HB PRO 24 2HB PRO 24 3.768 -1.392 -3.164
184 1HG PRO 24 1HG PRO 24 4.052 1.212 -1.712
185 2HG PRO 24 2HG PRO 24 3.356 0.892 -3.312
186 1HD PRO 24 1HD PRO 24 1.832 1.244 -1.104
187 2HD PRO 24 2HD PRO 24 1.348 0.172 -2.436
188 H GLY 25 H GLY 25 4.032 0.620 0.280
189 1HA GLY 25 1HA GLY 25 5.328 1.192 2.088
190 2HA GLY 25 2HA GLY 25 5.280 -0.500 2.556
191 H ASP 26 H ASP 26 6.628 1.008 -0.360
192 HA ASP 26 HA ASP 26 9.092 -0.468 0.016
193 1HB ASP 26 1HB ASP 26 7.856 1.120 -2.176
194 2HB ASP 26 2HB ASP 26 9.616 1.016 -2.152
Start of MODEL 2
1 H SER 1 H SER 1 -36.176 -3.108 -4.004
2 HA SER 1 HA SER 1 -33.972 -2.828 -3.248
3 1HB SER 1 1HB SER 1 -34.732 -0.360 -4.832
4 2HB SER 1 2HB SER 1 -33.260 -1.328 -4.956
5 HG SER 1 HG SER 1 -34.868 -1.696 -6.632
6 H ALA 2 H ALA 2 -34.484 -2.336 -0.920
7 HA ALA 2 HA ALA 2 -34.212 0.456 -0.160
8 1HB ALA 2 1HB ALA 2 -34.136 -0.720 2.176
9 2HB ALA 2 2HB ALA 2 -34.724 -2.112 1.264
10 3HB ALA 2 3HB ALA 2 -35.656 -0.616 1.288
11 H ASP 3 H ASP 3 -32.560 -2.588 0.548
12 HA ASP 3 HA ASP 3 -30.116 -1.272 1.340
13 1HB ASP 3 1HB ASP 3 -30.812 -3.316 2.480
14 2HB ASP 3 2HB ASP 3 -30.856 -4.184 0.936
15 H GLU 4 H GLU 4 -31.412 -3.092 -1.340
16 HA GLU 4 HA GLU 4 -29.152 -3.580 -2.860
17 1HB GLU 4 1HB GLU 4 -31.096 -4.628 -3.568
18 2HB GLU 4 2HB GLU 4 -32.052 -3.160 -3.444
19 1HG GLU 4 1HG GLU 4 -30.960 -2.284 -5.452
20 2HG GLU 4 2HG GLU 4 -29.992 -3.756 -5.568
21 H GLU 5 H GLU 5 -31.408 -0.824 -3.180
22 HA GLU 5 HA GLU 5 -30.092 0.596 -5.144
23 1HB GLU 5 1HB GLU 5 -32.288 1.028 -3.688
24 2HB GLU 5 2HB GLU 5 -31.200 2.128 -2.860
25 1HG GLU 5 1HG GLU 5 -31.636 2.164 -5.832
26 2HG GLU 5 2HG GLU 5 -32.580 3.132 -4.700
27 H LEU 6 H LEU 6 -29.740 0.968 -1.632
28 HA LEU 6 HA LEU 6 -27.620 2.772 -1.652
29 1HB LEU 6 1HB LEU 6 -29.080 1.380 0.280
30 2HB LEU 6 2HB LEU 6 -27.424 0.820 0.480
31 HG LEU 6 HG LEU 6 -26.644 3.060 0.892
32 1HD1 LEU 6 1HD1 LEU 6 -28.508 4.864 1.104
33 2HD1 LEU 6 2HD1 LEU 6 -29.384 3.820 -0.020
34 3HD1 LEU 6 3HD1 LEU 6 -27.820 4.492 -0.480
35 1HD2 LEU 6 1HD2 LEU 6 -28.544 3.608 2.764
36 2HD2 LEU 6 2HD2 LEU 6 -27.228 2.448 2.968
37 3HD2 LEU 6 3HD2 LEU 6 -28.824 1.892 2.464
38 H GLU 7 H GLU 7 -27.808 -0.680 -1.920
39 HA GLU 7 HA GLU 7 -25.172 -1.352 -1.456
40 1HB GLU 7 1HB GLU 7 -27.376 -2.752 -2.216
41 2HB GLU 7 2HB GLU 7 -26.440 -2.800 -3.700
42 1HG GLU 7 1HG GLU 7 -24.912 -4.204 -2.852
43 2HG GLU 7 2HG GLU 7 -24.928 -3.432 -1.268
44 H ALA 8 H ALA 8 -26.716 -0.092 -4.340
45 HA ALA 8 HA ALA 8 -24.380 -0.248 -6.004
46 1HB ALA 8 1HB ALA 8 -26.232 1.764 -6.872
47 2HB ALA 8 2HB ALA 8 -27.116 0.320 -6.372
48 3HB ALA 8 3HB ALA 8 -25.860 0.204 -7.608
49 H LEU 9 H LEU 9 -25.816 2.004 -3.800
50 HA LEU 9 HA LEU 9 -24.280 4.284 -4.524
51 1HB LEU 9 1HB LEU 9 -26.480 4.420 -3.408
52 2HB LEU 9 2HB LEU 9 -25.792 3.664 -1.980
53 HG LEU 9 HG LEU 9 -24.588 5.572 -1.392
54 1HD1 LEU 9 1HD1 LEU 9 -24.552 7.536 -3.152
55 2HD1 LEU 9 2HD1 LEU 9 -24.716 6.196 -4.292
56 3HD1 LEU 9 3HD1 LEU 9 -23.348 6.248 -3.176
57 1HD2 LEU 9 1HD2 LEU 9 -26.696 6.252 -0.844
58 2HD2 LEU 9 2HD2 LEU 9 -27.272 6.180 -2.512
59 3HD2 LEU 9 3HD2 LEU 9 -26.268 7.528 -1.984
60 H ARG 10 H ARG 10 -24.104 1.864 -2.020
61 HA ARG 10 HA ARG 10 -21.744 2.968 -0.800
62 1HB ARG 10 1HB ARG 10 -22.572 0.156 -0.288
63 2HB ARG 10 2HB ARG 10 -22.044 1.388 0.844
64 1HG ARG 10 1HG ARG 10 -24.524 2.216 -0.280
65 2HG ARG 10 2HG ARG 10 -24.696 0.548 0.260
66 1HD ARG 10 1HD ARG 10 -23.276 2.200 2.176
67 2HD ARG 10 2HD ARG 10 -24.868 2.852 1.780
68 HE ARG 10 HE ARG 10 -25.848 1.036 2.808
69 1HH1 ARG 10 1HH1 ARG 10 -22.404 0.516 2.556
70 2HH1 ARG 10 2HH1 ARG 10 -22.412 -0.856 3.608
71 1HH2 ARG 10 1HH2 ARG 10 -25.856 -0.768 4.196
72 2HH2 ARG 10 2HH2 ARG 10 -24.368 -1.584 4.540
73 H ARG 11 H ARG 11 -22.480 0.620 -3.260
74 HA ARG 11 HA ARG 11 -19.776 -0.416 -3.244
75 1HB ARG 11 1HB ARG 11 -22.156 -0.876 -5.048
76 2HB ARG 11 2HB ARG 11 -20.568 -1.556 -5.384
77 1HG ARG 11 1HG ARG 11 -21.784 -2.036 -2.712
78 2HG ARG 11 2HG ARG 11 -22.404 -2.928 -4.104
79 1HD ARG 11 1HD ARG 11 -20.096 -3.664 -4.604
80 2HD ARG 11 2HD ARG 11 -19.544 -2.844 -3.144
81 HE ARG 11 HE ARG 11 -20.376 -4.576 -1.896
82 1HH1 ARG 11 1HH1 ARG 11 -21.660 -4.792 -5.128
83 2HH1 ARG 11 2HH1 ARG 11 -22.368 -6.352 -4.880
84 1HH2 ARG 11 1HH2 ARG 11 -21.308 -6.628 -1.564
85 2HH2 ARG 11 2HH2 ARG 11 -22.168 -7.392 -2.852
86 H GLN 12 H GLN 12 -21.696 1.984 -4.872
87 HA GLN 12 HA GLN 12 -19.904 2.372 -6.996
88 1HB GLN 12 1HB GLN 12 -22.144 3.236 -7.200
89 2HB GLN 12 2HB GLN 12 -21.944 4.224 -5.760
90 1HG GLN 12 1HG GLN 12 -20.168 5.492 -6.980
91 2HG GLN 12 2HG GLN 12 -20.620 4.596 -8.432
92 1HE2 GLN 12 1HE2 GLN 12 -21.312 7.236 -6.424
93 2HE2 GLN 12 2HE2 GLN 12 -22.744 7.780 -7.224
94 H ARG 13 H ARG 13 -20.360 4.036 -3.916
95 HA ARG 13 HA ARG 13 -18.020 5.664 -4.220
96 1HB ARG 13 1HB ARG 13 -20.052 5.216 -2.076
97 2HB ARG 13 2HB ARG 13 -18.528 5.984 -1.652
98 1HG ARG 13 1HG ARG 13 -20.048 7.032 -3.980
99 2HG ARG 13 2HG ARG 13 -20.620 7.404 -2.352
100 1HD ARG 13 1HD ARG 13 -17.736 7.792 -2.980
101 2HD ARG 13 2HD ARG 13 -18.900 8.968 -3.588
102 HE ARG 13 HE ARG 13 -19.248 8.432 -0.808
103 1HH1 ARG 13 1HH1 ARG 13 -17.364 10.260 -3.100
104 2HH1 ARG 13 2HH1 ARG 13 -16.964 11.508 -1.972
105 1HH2 ARG 13 1HH2 ARG 13 -18.724 10.072 0.684
106 2HH2 ARG 13 2HH2 ARG 13 -17.732 11.400 0.180
107 H LEU 14 H LEU 14 -18.808 2.600 -2.700
108 HA LEU 14 HA LEU 14 -16.344 2.460 -1.240
109 1HB LEU 14 1HB LEU 14 -18.392 1.408 -0.400
110 2HB LEU 14 2HB LEU 14 -18.388 0.328 -1.776
111 HG LEU 14 HG LEU 14 -16.692 -0.976 -0.940
112 1HD1 LEU 14 1HD1 LEU 14 -14.924 0.520 -0.708
113 2HD1 LEU 14 2HD1 LEU 14 -15.164 -0.112 0.920
114 3HD1 LEU 14 3HD1 LEU 14 -15.776 1.484 0.496
115 1HD2 LEU 14 1HD2 LEU 14 -18.752 -0.544 0.712
116 2HD2 LEU 14 2HD2 LEU 14 -17.428 -0.064 1.768
117 3HD2 LEU 14 3HD2 LEU 14 -17.452 -1.680 1.068
118 H ALA 15 H ALA 15 -17.656 0.528 -3.932
119 HA ALA 15 HA ALA 15 -15.308 -0.912 -4.420
120 1HB ALA 15 1HB ALA 15 -17.640 -1.384 -5.300
121 2HB ALA 15 2HB ALA 15 -16.304 -1.648 -6.424
122 3HB ALA 15 3HB ALA 15 -17.296 -0.192 -6.556
123 H GLU 16 H GLU 16 -16.244 2.300 -5.356
124 HA GLU 16 HA GLU 16 -14.548 2.724 -7.528
125 1HB GLU 16 1HB GLU 16 -15.992 4.404 -5.592
126 2HB GLU 16 2HB GLU 16 -14.560 5.164 -6.280
127 1HG GLU 16 1HG GLU 16 -15.396 4.876 -8.504
128 2HG GLU 16 2HG GLU 16 -16.760 3.928 -7.912
129 H LEU 17 H LEU 17 -13.952 3.368 -4.072
130 HA LEU 17 HA LEU 17 -11.248 4.152 -4.452
131 1HB LEU 17 1HB LEU 17 -12.976 4.424 -2.424
132 2HB LEU 17 2HB LEU 17 -12.096 3.020 -1.848
133 HG LEU 17 HG LEU 17 -9.996 4.540 -2.420
134 1HD1 LEU 17 1HD1 LEU 17 -11.704 6.720 -1.404
135 2HD1 LEU 17 2HD1 LEU 17 -11.904 6.308 -3.104
136 3HD1 LEU 17 3HD1 LEU 17 -10.316 6.772 -2.492
137 1HD2 LEU 17 1HD2 LEU 17 -10.260 3.664 -0.256
138 2HD2 LEU 17 2HD2 LEU 17 -11.740 4.584 0.028
139 3HD2 LEU 17 3HD2 LEU 17 -10.184 5.412 -0.036
140 H GLN 18 H GLN 18 -12.764 1.132 -3.368
141 HA GLN 18 HA GLN 18 -10.424 -0.312 -2.876
142 1HB GLN 18 1HB GLN 18 -13.052 -1.396 -3.900
143 2HB GLN 18 2HB GLN 18 -11.804 -2.312 -3.072
144 1HG GLN 18 1HG GLN 18 -12.324 -0.292 -1.304
145 2HG GLN 18 2HG GLN 18 -13.912 -0.612 -2.004
146 1HE2 GLN 18 1HE2 GLN 18 -11.304 -1.868 -0.096
147 2HE2 GLN 18 2HE2 GLN 18 -12.132 -3.264 0.496
148 H ALA 19 H ALA 19 -11.864 0.664 -5.848
149 HA ALA 19 HA ALA 19 -10.584 -1.352 -7.464
150 1HB ALA 19 1HB ALA 19 -12.348 0.976 -7.960
151 2HB ALA 19 2HB ALA 19 -12.468 -0.684 -8.544
152 3HB ALA 19 3HB ALA 19 -11.324 0.428 -9.288
153 H LYS 20 H LYS 20 -10.200 2.172 -7.104
154 HA LYS 20 HA LYS 20 -7.812 2.268 -8.652
155 1HB LYS 20 1HB LYS 20 -7.648 4.580 -7.908
156 2HB LYS 20 2HB LYS 20 -9.300 4.212 -8.392
157 1HG LYS 20 1HG LYS 20 -10.000 4.056 -6.104
158 2HG LYS 20 2HG LYS 20 -8.336 4.212 -5.540
159 1HD LYS 20 1HD LYS 20 -8.208 6.468 -6.272
160 2HD LYS 20 2HD LYS 20 -9.720 6.332 -7.168
161 1HE LYS 20 1HE LYS 20 -9.888 5.724 -4.292
162 2HE LYS 20 2HE LYS 20 -9.512 7.400 -4.692
163 1HZ LYS 20 1HZ LYS 20 -11.772 7.468 -4.728
164 2HZ LYS 20 2HZ LYS 20 -11.944 5.860 -5.228
165 3HZ LYS 20 3HZ LYS 20 -11.500 7.048 -6.344
166 H HIS 21 H HIS 21 -8.512 2.040 -5.208
167 HA HIS 21 HA HIS 21 -5.648 2.036 -4.604
168 1HB HIS 21 1HB HIS 21 -8.124 2.444 -2.968
169 2HB HIS 21 2HB HIS 21 -6.632 1.932 -2.180
170 HD1 HIS 21 HD1 HIS 21 -4.736 3.708 -4.000
171 HD2 HIS 21 HD2 HIS 21 -8.108 5.016 -1.960
172 HE1 HIS 21 HE1 HIS 21 -4.408 6.184 -3.676
173 HE2 HIS 21 HE2 HIS 21 -6.424 6.936 -2.368
174 H GLY 22 H GLY 22 -4.996 0.008 -5.252
175 1HA GLY 22 1HA GLY 22 -6.380 -2.292 -4.040
176 2HA GLY 22 2HA GLY 22 -5.328 -2.368 -5.444
177 H ASP 23 H ASP 23 -4.108 -4.036 -4.484
178 HA ASP 23 HA ASP 23 -1.876 -3.124 -2.980
179 1HB ASP 23 1HB ASP 23 -4.100 -4.488 -1.552
180 2HB ASP 23 2HB ASP 23 -2.456 -4.992 -1.144
181 HA PRO 24 HA PRO 24 -0.140 -6.644 -5.000
182 1HB PRO 24 1HB PRO 24 2.044 -7.100 -3.452
183 2HB PRO 24 2HB PRO 24 1.924 -5.728 -4.568
184 1HG PRO 24 1HG PRO 24 1.476 -5.816 -1.608
185 2HG PRO 24 2HG PRO 24 2.344 -4.608 -2.572
186 1HD PRO 24 1HD PRO 24 -0.188 -4.224 -1.696
187 2HD PRO 24 2HD PRO 24 0.404 -3.548 -3.228
188 H GLY 25 H GLY 25 -0.332 -6.876 -1.460
189 1HA GLY 25 1HA GLY 25 -0.700 -9.788 -1.728
190 2HA GLY 25 2HA GLY 25 -0.204 -8.960 -0.260
191 H ASP 26 H ASP 26 -1.940 -10.312 0.672
192 HA ASP 26 HA ASP 26 -4.000 -10.532 1.604
193 1HB ASP 26 1HB ASP 26 -3.476 -7.964 1.884
194 2HB ASP 26 2HB ASP 26 -4.776 -7.788 0.708
Start of MODEL 3
1 H SER 1 H SER 1 -36.188 -3.216 -3.496
2 HA SER 1 HA SER 1 -34.024 -2.800 -2.964
3 1HB SER 1 1HB SER 1 -34.684 -0.272 -4.456
4 2HB SER 1 2HB SER 1 -33.368 -1.424 -4.736
5 HG SER 1 HG SER 1 -35.148 -2.928 -5.316
6 H ALA 2 H ALA 2 -34.480 -2.332 -0.620
7 HA ALA 2 HA ALA 2 -34.196 0.452 0.164
8 1HB ALA 2 1HB ALA 2 -34.668 -2.132 1.576
9 2HB ALA 2 2HB ALA 2 -35.604 -0.640 1.636
10 3HB ALA 2 3HB ALA 2 -34.064 -0.748 2.484
11 H ASP 3 H ASP 3 -32.520 -2.592 0.804
12 HA ASP 3 HA ASP 3 -30.060 -1.280 1.548
13 1HB ASP 3 1HB ASP 3 -30.728 -3.336 2.684
14 2HB ASP 3 2HB ASP 3 -30.804 -4.188 1.136
15 H GLU 4 H GLU 4 -31.416 -3.076 -1.116
16 HA GLU 4 HA GLU 4 -29.192 -3.544 -2.700
17 1HB GLU 4 1HB GLU 4 -31.144 -4.592 -3.368
18 2HB GLU 4 2HB GLU 4 -32.104 -3.124 -3.204
19 1HG GLU 4 1HG GLU 4 -31.064 -2.224 -5.228
20 2HG GLU 4 2HG GLU 4 -30.092 -3.688 -5.380
21 H GLU 5 H GLU 5 -31.460 -0.792 -2.936
22 HA GLU 5 HA GLU 5 -30.192 0.656 -4.912
23 1HB GLU 5 1HB GLU 5 -32.360 1.068 -3.404
24 2HB GLU 5 2HB GLU 5 -31.248 2.160 -2.592
25 1HG GLU 5 1HG GLU 5 -31.760 2.224 -5.552
26 2HG GLU 5 2HG GLU 5 -32.676 3.180 -4.388
27 H LEU 6 H LEU 6 -29.760 0.988 -1.408
28 HA LEU 6 HA LEU 6 -27.644 2.800 -1.452
29 1HB LEU 6 1HB LEU 6 -29.056 1.380 0.492
30 2HB LEU 6 2HB LEU 6 -27.392 0.824 0.648
31 HG LEU 6 HG LEU 6 -26.628 3.092 1.024
32 1HD1 LEU 6 1HD1 LEU 6 -28.024 4.412 -0.332
33 2HD1 LEU 6 2HD1 LEU 6 -28.388 4.892 1.328
34 3HD1 LEU 6 3HD1 LEU 6 -29.488 3.816 0.460
35 1HD2 LEU 6 1HD2 LEU 6 -27.964 1.592 2.808
36 2HD2 LEU 6 2HD2 LEU 6 -28.956 3.048 2.836
37 3HD2 LEU 6 3HD2 LEU 6 -27.232 3.144 3.200
38 H GLU 7 H GLU 7 -27.832 -0.652 -1.756
39 HA GLU 7 HA GLU 7 -25.184 -1.316 -1.364
40 1HB GLU 7 1HB GLU 7 -27.392 -2.724 -2.068
41 2HB GLU 7 2HB GLU 7 -26.520 -2.740 -3.588
42 1HG GLU 7 1HG GLU 7 -25.792 -4.672 -2.568
43 2HG GLU 7 2HG GLU 7 -24.512 -3.524 -2.184
44 H ALA 8 H ALA 8 -26.796 -0.036 -4.200
45 HA ALA 8 HA ALA 8 -24.500 -0.168 -5.916
46 1HB ALA 8 1HB ALA 8 -26.376 1.836 -6.740
47 2HB ALA 8 2HB ALA 8 -27.252 0.400 -6.212
48 3HB ALA 8 3HB ALA 8 -26.032 0.276 -7.480
49 H LEU 9 H LEU 9 -25.892 2.064 -3.664
50 HA LEU 9 HA LEU 9 -24.372 4.348 -4.416
51 1HB LEU 9 1HB LEU 9 -26.560 4.496 -3.284
52 2HB LEU 9 2HB LEU 9 -25.864 3.740 -1.856
53 HG LEU 9 HG LEU 9 -24.648 5.648 -1.292
54 1HD1 LEU 9 1HD1 LEU 9 -23.424 6.324 -3.088
55 2HD1 LEU 9 2HD1 LEU 9 -24.636 7.608 -3.056
56 3HD1 LEU 9 3HD1 LEU 9 -24.804 6.264 -4.188
57 1HD2 LEU 9 1HD2 LEU 9 -26.268 7.592 -1.648
58 2HD2 LEU 9 2HD2 LEU 9 -26.876 6.164 -0.808
59 3HD2 LEU 9 3HD2 LEU 9 -27.280 6.428 -2.504
60 H ARG 10 H ARG 10 -24.176 1.948 -1.892
61 HA ARG 10 HA ARG 10 -21.804 3.052 -0.704
62 1HB ARG 10 1HB ARG 10 -22.652 0.252 -0.168
63 2HB ARG 10 2HB ARG 10 -22.092 1.484 0.952
64 1HG ARG 10 1HG ARG 10 -24.584 2.320 -0.152
65 2HG ARG 10 2HG ARG 10 -24.756 0.668 0.432
66 1HD ARG 10 1HD ARG 10 -23.288 2.312 2.296
67 2HD ARG 10 2HD ARG 10 -24.844 3.036 1.892
68 HE ARG 10 HE ARG 10 -25.904 1.320 2.992
69 1HH1 ARG 10 1HH1 ARG 10 -22.528 0.528 2.612
70 2HH1 ARG 10 2HH1 ARG 10 -22.604 -0.844 3.664
71 1HH2 ARG 10 1HH2 ARG 10 -26.008 -0.480 4.380
72 2HH2 ARG 10 2HH2 ARG 10 -24.576 -1.416 4.668
73 H ARG 11 H ARG 11 -22.564 0.692 -3.140
74 HA ARG 11 HA ARG 11 -19.872 -0.368 -3.132
75 1HB ARG 11 1HB ARG 11 -21.868 -1.760 -3.748
76 2HB ARG 11 2HB ARG 11 -22.060 -0.760 -5.180
77 1HG ARG 11 1HG ARG 11 -20.936 -2.688 -5.900
78 2HG ARG 11 2HG ARG 11 -19.700 -1.432 -5.800
79 1HD ARG 11 1HD ARG 11 -18.880 -2.300 -3.736
80 2HD ARG 11 2HD ARG 11 -20.248 -3.400 -3.592
81 HE ARG 11 HE ARG 11 -17.860 -3.796 -5.140
82 1HH1 ARG 11 1HH1 ARG 11 -21.220 -4.676 -4.788
83 2HH1 ARG 11 2HH1 ARG 11 -21.040 -6.188 -5.612
84 1HH2 ARG 11 1HH2 ARG 11 -17.620 -5.784 -6.224
85 2HH2 ARG 11 2HH2 ARG 11 -18.996 -6.820 -6.424
86 H GLN 12 H GLN 12 -21.792 2.016 -4.788
87 HA GLN 12 HA GLN 12 -19.996 2.392 -6.908
88 1HB GLN 12 1HB GLN 12 -22.228 3.272 -7.120
89 2HB GLN 12 2HB GLN 12 -22.028 4.256 -5.676
90 1HG GLN 12 1HG GLN 12 -20.984 5.900 -6.788
91 2HG GLN 12 2HG GLN 12 -20.072 4.780 -7.796
92 1HE2 GLN 12 1HE2 GLN 12 -21.980 7.240 -8.120
93 2HE2 GLN 12 2HE2 GLN 12 -22.944 6.780 -9.480
94 H ARG 13 H ARG 13 -20.448 4.056 -3.832
95 HA ARG 13 HA ARG 13 -18.100 5.672 -4.124
96 1HB ARG 13 1HB ARG 13 -20.184 5.264 -2.044
97 2HB ARG 13 2HB ARG 13 -18.640 5.924 -1.528
98 1HG ARG 13 1HG ARG 13 -19.028 7.556 -3.552
99 2HG ARG 13 2HG ARG 13 -20.716 7.112 -3.284
100 1HD ARG 13 1HD ARG 13 -20.832 8.220 -1.324
101 2HD ARG 13 2HD ARG 13 -19.180 7.804 -0.872
102 HE ARG 13 HE ARG 13 -20.060 10.176 -2.232
103 1HH1 ARG 13 1HH1 ARG 13 -17.360 8.040 -1.672
104 2HH1 ARG 13 2HH1 ARG 13 -16.172 9.244 -2.032
105 1HH2 ARG 13 1HH2 ARG 13 -18.496 11.764 -2.700
106 2HH2 ARG 13 2HH2 ARG 13 -16.816 11.360 -2.616
107 H LEU 14 H LEU 14 -18.908 2.612 -2.576
108 HA LEU 14 HA LEU 14 -16.428 2.484 -1.136
109 1HB LEU 14 1HB LEU 14 -18.488 1.472 -0.264
110 2HB LEU 14 2HB LEU 14 -18.476 0.336 -1.600
111 HG LEU 14 HG LEU 14 -17.624 -0.516 0.636
112 1HD1 LEU 14 1HD1 LEU 14 -17.148 -1.416 -1.752
113 2HD1 LEU 14 2HD1 LEU 14 -16.212 -2.020 -0.384
114 3HD1 LEU 14 3HD1 LEU 14 -15.520 -0.804 -1.456
115 1HD2 LEU 14 1HD2 LEU 14 -16.312 1.464 1.232
116 2HD2 LEU 14 2HD2 LEU 14 -15.224 1.144 -0.120
117 3HD2 LEU 14 3HD2 LEU 14 -15.328 0.004 1.224
118 H ALA 15 H ALA 15 -17.784 0.508 -3.784
119 HA ALA 15 HA ALA 15 -15.468 -0.968 -4.272
120 1HB ALA 15 1HB ALA 15 -17.424 -0.220 -6.428
121 2HB ALA 15 2HB ALA 15 -17.812 -1.384 -5.160
122 3HB ALA 15 3HB ALA 15 -16.476 -1.700 -6.264
123 H GLU 16 H GLU 16 -16.332 2.260 -5.228
124 HA GLU 16 HA GLU 16 -14.596 2.616 -7.392
125 1HB GLU 16 1HB GLU 16 -16.056 4.356 -5.516
126 2HB GLU 16 2HB GLU 16 -14.616 5.084 -6.216
127 1HG GLU 16 1HG GLU 16 -15.444 4.696 -8.444
128 2HG GLU 16 2HG GLU 16 -16.844 3.832 -7.804
129 H LEU 17 H LEU 17 -14.068 3.336 -3.940
130 HA LEU 17 HA LEU 17 -11.292 3.952 -4.372
131 1HB LEU 17 1HB LEU 17 -13.000 4.780 -2.524
132 2HB LEU 17 2HB LEU 17 -12.380 3.388 -1.660
133 HG LEU 17 HG LEU 17 -10.044 4.432 -2.252
134 1HD1 LEU 17 1HD1 LEU 17 -11.772 6.896 -2.228
135 2HD1 LEU 17 2HD1 LEU 17 -11.072 6.192 -3.684
136 3HD1 LEU 17 3HD1 LEU 17 -10.020 6.812 -2.416
137 1HD2 LEU 17 1HD2 LEU 17 -11.180 4.120 0.004
138 2HD2 LEU 17 2HD2 LEU 17 -11.696 5.800 -0.152
139 3HD2 LEU 17 3HD2 LEU 17 -9.976 5.404 -0.112
140 H GLN 18 H GLN 18 -13.120 1.288 -2.908
141 HA GLN 18 HA GLN 18 -10.968 -0.228 -2.000
142 1HB GLN 18 1HB GLN 18 -13.796 -0.776 -2.708
143 2HB GLN 18 2HB GLN 18 -12.720 -2.164 -2.616
144 1HG GLN 18 1HG GLN 18 -12.092 -0.848 -0.328
145 2HG GLN 18 2HG GLN 18 -13.808 -0.468 -0.496
146 1HE2 GLN 18 1HE2 GLN 18 -14.648 -2.824 -1.740
147 2HE2 GLN 18 2HE2 GLN 18 -14.524 -4.120 -0.600
148 H ALA 19 H ALA 19 -12.096 0.328 -5.208
149 HA ALA 19 HA ALA 19 -10.384 -1.840 -6.228
150 1HB ALA 19 1HB ALA 19 -12.608 -0.360 -7.632
151 2HB ALA 19 2HB ALA 19 -12.720 -1.972 -6.932
152 3HB ALA 19 3HB ALA 19 -11.652 -1.680 -8.304
153 H LYS 20 H LYS 20 -9.404 0.740 -5.284
154 HA LYS 20 HA LYS 20 -8.484 1.952 -7.796
155 1HB LYS 20 1HB LYS 20 -9.604 3.428 -6.124
156 2HB LYS 20 2HB LYS 20 -8.296 3.080 -5.000
157 1HG LYS 20 1HG LYS 20 -7.492 4.072 -7.656
158 2HG LYS 20 2HG LYS 20 -8.344 5.216 -6.616
159 1HD LYS 20 1HD LYS 20 -6.100 3.608 -5.484
160 2HD LYS 20 2HD LYS 20 -5.732 4.996 -6.508
161 1HE LYS 20 1HE LYS 20 -5.744 5.868 -4.340
162 2HE LYS 20 2HE LYS 20 -7.320 6.308 -5.000
163 1HZ LYS 20 1HZ LYS 20 -6.920 3.868 -3.372
164 2HZ LYS 20 2HZ LYS 20 -8.372 4.644 -3.756
165 3HZ LYS 20 3HZ LYS 20 -7.288 5.364 -2.676
166 H HIS 21 H HIS 21 -7.436 0.392 -4.852
167 HA HIS 21 HA HIS 21 -4.700 0.960 -4.972
168 1HB HIS 21 1HB HIS 21 -6.100 -0.204 -3.112
169 2HB HIS 21 2HB HIS 21 -5.736 -1.688 -3.996
170 HD1 HIS 21 HD1 HIS 21 -4.420 -2.380 -1.788
171 HD2 HIS 21 HD2 HIS 21 -2.808 0.800 -3.924
172 HE1 HIS 21 HE1 HIS 21 -2.068 -2.116 -0.932
173 HE2 HIS 21 HE2 HIS 21 -1.088 -0.244 -2.304
174 H GLY 22 H GLY 22 -3.708 0.748 -6.920
175 1HA GLY 22 1HA GLY 22 -2.780 -1.752 -7.752
176 2HA GLY 22 2HA GLY 22 -4.168 -1.348 -8.752
177 H ASP 23 H ASP 23 -0.840 -0.860 -8.204
178 HA ASP 23 HA ASP 23 -0.408 1.592 -9.480
179 1HB ASP 23 1HB ASP 23 1.400 -0.832 -9.376
180 2HB ASP 23 2HB ASP 23 1.904 0.800 -9.816
181 HA PRO 24 HA PRO 24 -1.180 0.756 -13.740
182 1HB PRO 24 1HB PRO 24 0.540 2.480 -14.928
183 2HB PRO 24 2HB PRO 24 -0.936 3.008 -14.108
184 1HG PRO 24 1HG PRO 24 1.884 2.988 -13.104
185 2HG PRO 24 2HG PRO 24 0.648 4.248 -12.940
186 1HD PRO 24 1HD PRO 24 1.236 2.520 -10.944
187 2HD PRO 24 2HD PRO 24 -0.396 3.176 -11.188
188 H GLY 25 H GLY 25 -0.284 -1.432 -13.588
189 1HA GLY 25 1HA GLY 25 1.148 -2.468 -15.456
190 2HA GLY 25 2HA GLY 25 2.464 -1.664 -14.616
191 H ASP 26 H ASP 26 0.540 -4.448 -14.804
192 HA ASP 26 HA ASP 26 1.488 -5.404 -12.192
193 1HB ASP 26 1HB ASP 26 -1.032 -5.492 -13.144
194 2HB ASP 26 2HB ASP 26 -0.436 -7.032 -13.748
Start of MODEL 4
1 H SER 1 H SER 1 -35.920 -1.052 -2.976
2 HA SER 1 HA SER 1 -33.784 -3.048 -3.220
3 1HB SER 1 1HB SER 1 -33.832 -0.292 -4.472
4 2HB SER 1 2HB SER 1 -32.588 -1.532 -4.652
5 HG SER 1 HG SER 1 -34.376 -2.832 -5.592
6 H ALA 2 H ALA 2 -34.912 -2.164 -0.848
7 HA ALA 2 HA ALA 2 -34.016 0.100 0.380
8 1HB ALA 2 1HB ALA 2 -33.772 -1.428 2.440
9 2HB ALA 2 2HB ALA 2 -34.316 -2.712 1.360
10 3HB ALA 2 3HB ALA 2 -35.348 -1.312 1.664
11 H ASP 3 H ASP 3 -32.280 -2.984 0.596
12 HA ASP 3 HA ASP 3 -29.800 -1.680 1.292
13 1HB ASP 3 1HB ASP 3 -30.412 -3.820 2.324
14 2HB ASP 3 2HB ASP 3 -30.472 -4.576 0.724
15 H GLU 4 H GLU 4 -31.220 -3.328 -1.444
16 HA GLU 4 HA GLU 4 -29.012 -3.648 -3.088
17 1HB GLU 4 1HB GLU 4 -30.948 -4.720 -3.772
18 2HB GLU 4 2HB GLU 4 -31.944 -3.288 -3.536
19 1HG GLU 4 1HG GLU 4 -30.948 -2.276 -5.528
20 2HG GLU 4 2HG GLU 4 -29.948 -3.708 -5.760
21 H GLU 5 H GLU 5 -31.364 -0.952 -3.164
22 HA GLU 5 HA GLU 5 -30.156 0.616 -5.088
23 1HB GLU 5 1HB GLU 5 -32.324 0.908 -3.568
24 2HB GLU 5 2HB GLU 5 -31.244 1.964 -2.680
25 1HG GLU 5 1HG GLU 5 -31.720 2.208 -5.628
26 2HG GLU 5 2HG GLU 5 -32.688 3.056 -4.424
27 H LEU 6 H LEU 6 -29.700 0.804 -1.572
28 HA LEU 6 HA LEU 6 -27.636 2.672 -1.556
29 1HB LEU 6 1HB LEU 6 -28.988 1.132 0.340
30 2HB LEU 6 2HB LEU 6 -27.308 0.604 0.452
31 HG LEU 6 HG LEU 6 -26.636 2.964 0.812
32 1HD1 LEU 6 1HD1 LEU 6 -28.064 4.716 0.812
33 2HD1 LEU 6 2HD1 LEU 6 -29.412 3.760 1.416
34 3HD1 LEU 6 3HD1 LEU 6 -28.968 3.676 -0.288
35 1HD2 LEU 6 1HD2 LEU 6 -28.084 3.100 3.064
36 2HD2 LEU 6 2HD2 LEU 6 -26.716 2.008 2.852
37 3HD2 LEU 6 3HD2 LEU 6 -28.360 1.412 2.628
38 H GLU 7 H GLU 7 -27.728 -0.764 -2.016
39 HA GLU 7 HA GLU 7 -25.060 -1.372 -1.680
40 1HB GLU 7 1HB GLU 7 -27.308 -2.732 -2.600
41 2HB GLU 7 2HB GLU 7 -26.192 -2.800 -3.956
42 1HG GLU 7 1HG GLU 7 -24.564 -3.932 -2.700
43 2HG GLU 7 2HG GLU 7 -25.360 -3.556 -1.176
44 H ALA 8 H ALA 8 -26.740 -0.004 -4.436
45 HA ALA 8 HA ALA 8 -24.456 0.012 -6.180
46 1HB ALA 8 1HB ALA 8 -26.020 0.468 -7.704
47 2HB ALA 8 2HB ALA 8 -26.380 1.996 -6.904
48 3HB ALA 8 3HB ALA 8 -27.228 0.532 -6.416
49 H LEU 9 H LEU 9 -25.888 2.096 -3.812
50 HA LEU 9 HA LEU 9 -24.432 4.456 -4.468
51 1HB LEU 9 1HB LEU 9 -26.620 4.484 -3.316
52 2HB LEU 9 2HB LEU 9 -25.888 3.684 -1.932
53 HG LEU 9 HG LEU 9 -24.724 5.596 -1.284
54 1HD1 LEU 9 1HD1 LEU 9 -23.536 6.388 -3.056
55 2HD1 LEU 9 2HD1 LEU 9 -24.780 7.636 -2.956
56 3HD1 LEU 9 3HD1 LEU 9 -24.920 6.344 -4.148
57 1HD2 LEU 9 1HD2 LEU 9 -26.980 7.096 -2.488
58 2HD2 LEU 9 2HD2 LEU 9 -26.400 7.064 -0.824
59 3HD2 LEU 9 3HD2 LEU 9 -27.380 5.736 -1.444
60 H ARG 10 H ARG 10 -24.168 1.964 -2.040
61 HA ARG 10 HA ARG 10 -21.836 3.072 -0.796
62 1HB ARG 10 1HB ARG 10 -22.588 0.208 -0.452
63 2HB ARG 10 2HB ARG 10 -22.040 1.368 0.744
64 1HG ARG 10 1HG ARG 10 -24.572 2.200 -0.292
65 2HG ARG 10 2HG ARG 10 -24.684 0.520 0.232
66 1HD ARG 10 1HD ARG 10 -23.248 2.272 2.084
67 2HD ARG 10 2HD ARG 10 -24.924 2.748 1.804
68 HE ARG 10 HE ARG 10 -25.116 0.096 2.280
69 1HH1 ARG 10 1HH1 ARG 10 -23.580 2.708 4.004
70 2HH1 ARG 10 2HH1 ARG 10 -23.796 1.980 5.560
71 1HH2 ARG 10 1HH2 ARG 10 -25.404 -0.868 4.324
72 2HH2 ARG 10 2HH2 ARG 10 -24.828 -0.052 5.740
73 H ARG 11 H ARG 11 -22.492 0.816 -3.364
74 HA ARG 11 HA ARG 11 -19.748 -0.092 -3.424
75 1HB ARG 11 1HB ARG 11 -22.112 -0.568 -5.244
76 2HB ARG 11 2HB ARG 11 -20.500 -1.172 -5.604
77 1HG ARG 11 1HG ARG 11 -21.636 -1.816 -2.944
78 2HG ARG 11 2HG ARG 11 -22.320 -2.636 -4.352
79 1HD ARG 11 1HD ARG 11 -20.104 -3.416 -4.992
80 2HD ARG 11 2HD ARG 11 -19.392 -2.564 -3.624
81 HE ARG 11 HE ARG 11 -20.016 -4.296 -2.280
82 1HH1 ARG 11 1HH1 ARG 11 -21.884 -4.456 -5.220
83 2HH1 ARG 11 2HH1 ARG 11 -22.612 -5.976 -4.824
84 1HH2 ARG 11 1HH2 ARG 11 -20.968 -6.296 -1.756
85 2HH2 ARG 11 2HH2 ARG 11 -22.092 -7.020 -2.856
86 H GLN 12 H GLN 12 -21.780 2.300 -4.908
87 HA GLN 12 HA GLN 12 -20.052 2.864 -7.040
88 1HB GLN 12 1HB GLN 12 -22.336 4.244 -5.744
89 2HB GLN 12 2HB GLN 12 -21.236 5.256 -6.668
90 1HG GLN 12 1HG GLN 12 -22.372 2.764 -7.860
91 2HG GLN 12 2HG GLN 12 -23.304 4.260 -7.832
92 1HE2 GLN 12 1HE2 GLN 12 -21.720 2.508 -9.880
93 2HE2 GLN 12 2HE2 GLN 12 -20.916 3.696 -10.840
94 H ARG 13 H ARG 13 -20.476 4.336 -3.864
95 HA ARG 13 HA ARG 13 -18.176 6.028 -4.120
96 1HB ARG 13 1HB ARG 13 -20.416 5.896 -2.432
97 2HB ARG 13 2HB ARG 13 -19.024 5.636 -1.392
98 1HG ARG 13 1HG ARG 13 -18.112 7.728 -2.764
99 2HG ARG 13 2HG ARG 13 -19.844 8.040 -2.908
100 1HD ARG 13 1HD ARG 13 -20.076 8.516 -0.712
101 2HD ARG 13 2HD ARG 13 -18.900 7.296 -0.220
102 HE ARG 13 HE ARG 13 -18.412 10.072 -0.660
103 1HH1 ARG 13 1HH1 ARG 13 -16.956 6.904 -0.852
104 2HH1 ARG 13 2HH1 ARG 13 -15.340 7.504 -0.656
105 1HH2 ARG 13 1HH2 ARG 13 -16.292 10.856 -0.408
106 2HH2 ARG 13 2HH2 ARG 13 -14.964 9.744 -0.404
107 H LEU 14 H LEU 14 -18.888 2.900 -2.668
108 HA LEU 14 HA LEU 14 -16.364 2.748 -1.312
109 1HB LEU 14 1HB LEU 14 -18.420 1.688 -0.448
110 2HB LEU 14 2HB LEU 14 -18.372 0.568 -1.796
111 HG LEU 14 HG LEU 14 -17.496 -0.292 0.420
112 1HD1 LEU 14 1HD1 LEU 14 -16.968 -1.136 -1.964
113 2HD1 LEU 14 2HD1 LEU 14 -15.984 -1.700 -0.612
114 3HD1 LEU 14 3HD1 LEU 14 -15.376 -0.436 -1.676
115 1HD2 LEU 14 1HD2 LEU 14 -15.156 1.472 -0.276
116 2HD2 LEU 14 2HD2 LEU 14 -15.236 0.316 1.048
117 3HD2 LEU 14 3HD2 LEU 14 -16.272 1.736 1.064
118 H ALA 15 H ALA 15 -17.764 0.840 -3.984
119 HA ALA 15 HA ALA 15 -15.444 -0.592 -4.572
120 1HB ALA 15 1HB ALA 15 -17.364 0.164 -6.736
121 2HB ALA 15 2HB ALA 15 -17.864 -0.908 -5.428
122 3HB ALA 15 3HB ALA 15 -16.520 -1.360 -6.468
123 H GLU 16 H GLU 16 -16.368 2.652 -5.412
124 HA GLU 16 HA GLU 16 -14.692 3.096 -7.608
125 1HB GLU 16 1HB GLU 16 -16.116 4.760 -5.644
126 2HB GLU 16 2HB GLU 16 -14.696 5.524 -6.344
127 1HG GLU 16 1HG GLU 16 -15.576 5.164 -8.576
128 2HG GLU 16 2HG GLU 16 -16.980 4.332 -7.908
129 H LEU 17 H LEU 17 -14.072 3.708 -4.152
130 HA LEU 17 HA LEU 17 -11.312 4.348 -4.648
131 1HB LEU 17 1HB LEU 17 -12.504 5.468 -2.852
132 2HB LEU 17 2HB LEU 17 -12.836 3.928 -2.084
133 HG LEU 17 HG LEU 17 -10.208 3.744 -2.040
134 1HD1 LEU 17 1HD1 LEU 17 -9.548 6.256 -1.416
135 2HD1 LEU 17 2HD1 LEU 17 -10.740 6.580 -2.672
136 3HD1 LEU 17 3HD1 LEU 17 -9.332 5.580 -3.028
137 1HD2 LEU 17 1HD2 LEU 17 -10.428 5.276 0.136
138 2HD2 LEU 17 2HD2 LEU 17 -11.100 3.648 0.040
139 3HD2 LEU 17 3HD2 LEU 17 -12.140 5.048 -0.224
140 H GLN 18 H GLN 18 -13.076 1.668 -3.132
141 HA GLN 18 HA GLN 18 -10.880 0.144 -2.352
142 1HB GLN 18 1HB GLN 18 -13.744 -0.400 -2.916
143 2HB GLN 18 2HB GLN 18 -12.668 -1.788 -2.884
144 1HG GLN 18 1HG GLN 18 -11.932 -0.448 -0.624
145 2HG GLN 18 2HG GLN 18 -13.664 -0.136 -0.700
146 1HE2 GLN 18 1HE2 GLN 18 -14.472 -2.524 -1.908
147 2HE2 GLN 18 2HE2 GLN 18 -14.236 -3.816 -0.784
148 H ALA 19 H ALA 19 -12.160 0.740 -5.492
149 HA ALA 19 HA ALA 19 -10.584 -1.468 -6.624
150 1HB ALA 19 1HB ALA 19 -12.984 -1.340 -7.236
151 2HB ALA 19 2HB ALA 19 -11.904 -1.236 -8.624
152 3HB ALA 19 3HB ALA 19 -12.672 0.220 -7.996
153 H LYS 20 H LYS 20 -9.268 0.848 -5.636
154 HA LYS 20 HA LYS 20 -8.436 2.220 -8.092
155 1HB LYS 20 1HB LYS 20 -8.364 2.964 -5.192
156 2HB LYS 20 2HB LYS 20 -7.232 3.712 -6.308
157 1HG LYS 20 1HG LYS 20 -9.292 4.296 -7.712
158 2HG LYS 20 2HG LYS 20 -10.220 3.904 -6.264
159 1HD LYS 20 1HD LYS 20 -9.008 5.580 -5.000
160 2HD LYS 20 2HD LYS 20 -7.984 5.928 -6.396
161 1HE LYS 20 1HE LYS 20 -9.576 7.156 -7.424
162 2HE LYS 20 2HE LYS 20 -10.888 6.128 -6.856
163 1HZ LYS 20 1HZ LYS 20 -9.536 7.712 -4.828
164 2HZ LYS 20 2HZ LYS 20 -11.180 7.364 -5.012
165 3HZ LYS 20 3HZ LYS 20 -10.460 8.580 -5.944
166 H HIS 21 H HIS 21 -6.736 1.500 -5.052
167 HA HIS 21 HA HIS 21 -4.480 0.516 -6.656
168 1HB HIS 21 1HB HIS 21 -4.424 2.500 -4.836
169 2HB HIS 21 2HB HIS 21 -4.096 1.128 -3.780
170 HD1 HIS 21 HD1 HIS 21 -2.784 2.260 -7.180
171 HD2 HIS 21 HD2 HIS 21 -1.436 0.776 -3.544
172 HE1 HIS 21 HE1 HIS 21 -0.284 2.112 -7.400
173 HE2 HIS 21 HE2 HIS 21 0.516 1.292 -5.156
174 H GLY 22 H GLY 22 -5.668 -0.024 -3.332
175 1HA GLY 22 1HA GLY 22 -6.632 -2.404 -3.108
176 2HA GLY 22 2HA GLY 22 -5.040 -2.880 -3.684
177 H ASP 23 H ASP 23 -6.024 -3.788 -1.272
178 HA ASP 23 HA ASP 23 -4.200 -2.452 0.608
179 1HB ASP 23 1HB ASP 23 -6.872 -2.196 0.876
180 2HB ASP 23 2HB ASP 23 -6.632 -3.708 1.756
181 HA PRO 24 HA PRO 24 -2.908 -6.864 0.140
182 1HB PRO 24 1HB PRO 24 -0.600 -5.608 1.548
183 2HB PRO 24 2HB PRO 24 -0.612 -6.732 0.180
184 1HG PRO 24 1HG PRO 24 -0.116 -4.144 -0.200
185 2HG PRO 24 2HG PRO 24 -1.096 -5.060 -1.356
186 1HD PRO 24 1HD PRO 24 -1.956 -3.092 0.716
187 2HD PRO 24 2HD PRO 24 -2.616 -3.388 -0.908
188 H GLY 25 H GLY 25 -2.784 -4.688 2.920
189 1HA GLY 25 1HA GLY 25 -2.580 -6.868 4.816
190 2HA GLY 25 2HA GLY 25 -2.752 -5.160 5.196
191 H ASP 26 H ASP 26 -5.032 -4.340 4.228
192 HA ASP 26 HA ASP 26 -6.988 -5.840 5.748
193 1HB ASP 26 1HB ASP 26 -6.832 -3.124 4.548
194 2HB ASP 26 2HB ASP 26 -8.436 -3.820 4.744
Start of MODEL 5
1 H SER 1 H SER 1 -36.216 -2.424 -2.000
2 HA SER 1 HA SER 1 -34.100 -2.452 -3.072
3 1HB SER 1 1HB SER 1 -35.180 0.052 -4.404
4 2HB SER 1 2HB SER 1 -33.492 -0.472 -4.476
5 HG SER 1 HG SER 1 -34.812 -1.132 -6.288
6 H ALA 2 H ALA 2 -34.388 -2.228 -0.664
7 HA ALA 2 HA ALA 2 -33.932 0.444 0.396
8 1HB ALA 2 1HB ALA 2 -33.712 -1.008 2.560
9 2HB ALA 2 2HB ALA 2 -34.436 -2.260 1.548
10 3HB ALA 2 3HB ALA 2 -35.296 -0.748 1.828
11 H ASP 3 H ASP 3 -32.360 -2.716 0.588
12 HA ASP 3 HA ASP 3 -29.800 -1.588 1.308
13 1HB ASP 3 1HB ASP 3 -30.492 -3.732 2.260
14 2HB ASP 3 2HB ASP 3 -30.700 -4.404 0.636
15 H GLU 4 H GLU 4 -31.400 -3.028 -1.440
16 HA GLU 4 HA GLU 4 -29.300 -3.404 -3.204
17 1HB GLU 4 1HB GLU 4 -31.340 -4.296 -3.852
18 2HB GLU 4 2HB GLU 4 -32.220 -2.820 -3.472
19 1HG GLU 4 1HG GLU 4 -31.264 -1.744 -5.452
20 2HG GLU 4 2HG GLU 4 -30.372 -3.224 -5.824
21 H GLU 5 H GLU 5 -31.452 -0.556 -2.996
22 HA GLU 5 HA GLU 5 -30.248 1.048 -4.888
23 1HB GLU 5 1HB GLU 5 -32.292 1.372 -3.200
24 2HB GLU 5 2HB GLU 5 -31.088 2.328 -2.352
25 1HG GLU 5 1HG GLU 5 -31.776 2.736 -5.248
26 2HG GLU 5 2HG GLU 5 -32.576 3.592 -3.928
27 H LEU 6 H LEU 6 -29.584 0.980 -1.404
28 HA LEU 6 HA LEU 6 -27.392 2.700 -1.400
29 1HB LEU 6 1HB LEU 6 -28.736 1.084 0.468
30 2HB LEU 6 2HB LEU 6 -27.060 0.532 0.476
31 HG LEU 6 HG LEU 6 -26.400 2.952 0.844
32 1HD1 LEU 6 1HD1 LEU 6 -29.368 3.184 0.948
33 2HD1 LEU 6 2HD1 LEU 6 -28.168 4.292 0.284
34 3HD1 LEU 6 3HD1 LEU 6 -28.396 4.184 2.028
35 1HD2 LEU 6 1HD2 LEU 6 -26.964 0.988 2.600
36 2HD2 LEU 6 2HD2 LEU 6 -28.076 2.236 3.160
37 3HD2 LEU 6 3HD2 LEU 6 -26.344 2.568 3.064
38 H GLU 7 H GLU 7 -27.756 -0.688 -2.048
39 HA GLU 7 HA GLU 7 -25.120 -1.488 -1.904
40 1HB GLU 7 1HB GLU 7 -27.324 -2.824 -2.480
41 2HB GLU 7 2HB GLU 7 -26.820 -2.536 -4.136
42 1HG GLU 7 1HG GLU 7 -24.524 -3.468 -3.180
43 2HG GLU 7 2HG GLU 7 -25.620 -4.260 -2.052
44 H ALA 8 H ALA 8 -26.848 0.152 -4.476
45 HA ALA 8 HA ALA 8 -24.664 0.128 -6.340
46 1HB ALA 8 1HB ALA 8 -26.292 0.736 -7.736
47 2HB ALA 8 2HB ALA 8 -26.468 2.264 -6.876
48 3HB ALA 8 3HB ALA 8 -27.408 0.860 -6.376
49 H LEU 9 H LEU 9 -25.828 2.164 -3.784
50 HA LEU 9 HA LEU 9 -24.224 4.448 -4.408
51 1HB LEU 9 1HB LEU 9 -26.372 4.596 -3.196
52 2HB LEU 9 2HB LEU 9 -25.668 3.696 -1.860
53 HG LEU 9 HG LEU 9 -24.336 5.492 -1.188
54 1HD1 LEU 9 1HD1 LEU 9 -24.312 7.596 -2.788
55 2HD1 LEU 9 2HD1 LEU 9 -24.572 6.356 -4.016
56 3HD1 LEU 9 3HD1 LEU 9 -23.156 6.276 -2.968
57 1HD2 LEU 9 1HD2 LEU 9 -27.000 5.828 -1.304
58 2HD2 LEU 9 2HD2 LEU 9 -26.476 7.240 -2.228
59 3HD2 LEU 9 3HD2 LEU 9 -25.904 7.000 -0.576
60 H ARG 10 H ARG 10 -24.184 2.036 -1.868
61 HA ARG 10 HA ARG 10 -21.772 2.844 -0.656
62 1HB ARG 10 1HB ARG 10 -22.696 0.004 -0.552
63 2HB ARG 10 2HB ARG 10 -22.032 1.008 0.732
64 1HG ARG 10 1HG ARG 10 -24.560 2.036 -0.224
65 2HG ARG 10 2HG ARG 10 -24.712 0.372 0.328
66 1HD ARG 10 1HD ARG 10 -23.112 2.040 2.100
67 2HD ARG 10 2HD ARG 10 -24.748 2.656 1.864
68 HE ARG 10 HE ARG 10 -25.152 0.040 2.384
69 1HH1 ARG 10 1HH1 ARG 10 -23.340 2.528 4.024
70 2HH1 ARG 10 2HH1 ARG 10 -23.568 1.836 5.596
71 1HH2 ARG 10 1HH2 ARG 10 -25.452 -0.872 4.452
72 2HH2 ARG 10 2HH2 ARG 10 -24.768 -0.096 5.836
73 H ARG 11 H ARG 11 -22.480 0.716 -3.340
74 HA ARG 11 HA ARG 11 -19.752 -0.236 -3.432
75 1HB ARG 11 1HB ARG 11 -22.092 -0.584 -5.312
76 2HB ARG 11 2HB ARG 11 -20.500 -1.260 -5.612
77 1HG ARG 11 1HG ARG 11 -21.752 -1.884 -3.008
78 2HG ARG 11 2HG ARG 11 -22.452 -2.636 -4.444
79 1HD ARG 11 1HD ARG 11 -20.096 -3.344 -5.044
80 2HD ARG 11 2HD ARG 11 -19.628 -2.844 -3.420
81 HE ARG 11 HE ARG 11 -21.844 -4.664 -3.448
82 1HH1 ARG 11 1HH1 ARG 11 -18.364 -4.428 -3.536
83 2HH1 ARG 11 2HH1 ARG 11 -18.116 -6.016 -2.888
84 1HH2 ARG 11 1HH2 ARG 11 -21.516 -6.752 -2.604
85 2HH2 ARG 11 2HH2 ARG 11 -19.904 -7.336 -2.364
86 H GLN 12 H GLN 12 -21.724 2.260 -4.816
87 HA GLN 12 HA GLN 12 -19.988 2.860 -6.932
88 1HB GLN 12 1HB GLN 12 -22.268 4.192 -5.616
89 2HB GLN 12 2HB GLN 12 -21.132 5.272 -6.412
90 1HG GLN 12 1HG GLN 12 -22.100 2.904 -7.916
91 2HG GLN 12 2HG GLN 12 -23.208 4.252 -7.672
92 1HE2 GLN 12 1HE2 GLN 12 -22.244 3.388 -10.172
93 2HE2 GLN 12 2HE2 GLN 12 -21.292 4.660 -10.848
94 H ARG 13 H ARG 13 -20.376 4.224 -3.704
95 HA ARG 13 HA ARG 13 -18.036 5.872 -3.904
96 1HB ARG 13 1HB ARG 13 -20.076 5.280 -1.824
97 2HB ARG 13 2HB ARG 13 -18.524 5.896 -1.284
98 1HG ARG 13 1HG ARG 13 -18.884 7.748 -3.024
99 2HG ARG 13 2HG ARG 13 -20.568 7.216 -3.024
100 1HD ARG 13 1HD ARG 13 -20.732 7.636 -0.648
101 2HD ARG 13 2HD ARG 13 -19.020 8.052 -0.576
102 HE ARG 13 HE ARG 13 -21.160 9.760 -1.356
103 1HH1 ARG 13 1HH1 ARG 13 -17.792 9.064 -1.948
104 2HH1 ARG 13 2HH1 ARG 13 -17.424 10.672 -2.472
105 1HH2 ARG 13 1HH2 ARG 13 -20.676 11.876 -2.044
106 2HH2 ARG 13 2HH2 ARG 13 -19.060 12.268 -2.524
107 H LEU 14 H LEU 14 -18.820 2.708 -2.580
108 HA LEU 14 HA LEU 14 -16.304 2.448 -1.228
109 1HB LEU 14 1HB LEU 14 -18.380 1.392 -0.408
110 2HB LEU 14 2HB LEU 14 -18.360 0.336 -1.808
111 HG LEU 14 HG LEU 14 -17.504 -0.648 0.364
112 1HD1 LEU 14 1HD1 LEU 14 -16.040 -2.048 -0.740
113 2HD1 LEU 14 2HD1 LEU 14 -15.384 -0.752 -1.736
114 3HD1 LEU 14 3HD1 LEU 14 -16.996 -1.388 -2.064
115 1HD2 LEU 14 1HD2 LEU 14 -15.136 1.112 -0.248
116 2HD2 LEU 14 2HD2 LEU 14 -15.216 -0.132 0.996
117 3HD2 LEU 14 3HD2 LEU 14 -16.236 1.296 1.116
118 H ALA 15 H ALA 15 -17.740 0.684 -3.984
119 HA ALA 15 HA ALA 15 -15.444 -0.764 -4.624
120 1HB ALA 15 1HB ALA 15 -17.244 0.076 -6.828
121 2HB ALA 15 2HB ALA 15 -17.924 -0.888 -5.516
122 3HB ALA 15 3HB ALA 15 -16.572 -1.512 -6.460
123 H GLU 16 H GLU 16 -16.308 2.528 -5.332
124 HA GLU 16 HA GLU 16 -14.628 3.036 -7.504
125 1HB GLU 16 1HB GLU 16 -16.012 4.636 -5.464
126 2HB GLU 16 2HB GLU 16 -14.576 5.400 -6.128
127 1HG GLU 16 1HG GLU 16 -15.464 5.164 -8.372
128 2HG GLU 16 2HG GLU 16 -16.884 4.336 -7.740
129 H LEU 17 H LEU 17 -13.984 3.476 -4.028
130 HA LEU 17 HA LEU 17 -11.212 4.084 -4.504
131 1HB LEU 17 1HB LEU 17 -12.376 5.128 -2.652
132 2HB LEU 17 2HB LEU 17 -12.736 3.556 -1.960
133 HG LEU 17 HG LEU 17 -10.108 3.316 -1.932
134 1HD1 LEU 17 1HD1 LEU 17 -10.344 6.284 -1.580
135 2HD1 LEU 17 2HD1 LEU 17 -9.936 5.564 -3.136
136 3HD1 LEU 17 3HD1 LEU 17 -8.892 5.296 -1.744
137 1HD2 LEU 17 1HD2 LEU 17 -11.048 3.140 0.132
138 2HD2 LEU 17 2HD2 LEU 17 -11.988 4.620 -0.044
139 3HD2 LEU 17 3HD2 LEU 17 -10.264 4.708 0.316
140 H GLN 18 H GLN 18 -13.044 1.340 -3.232
141 HA GLN 18 HA GLN 18 -10.904 -0.272 -2.472
142 1HB GLN 18 1HB GLN 18 -13.744 -0.732 -3.196
143 2HB GLN 18 2HB GLN 18 -12.684 -2.136 -3.220
144 1HG GLN 18 1HG GLN 18 -11.984 -1.216 -0.856
145 2HG GLN 18 2HG GLN 18 -13.576 -0.460 -0.940
146 1HE2 GLN 18 1HE2 GLN 18 -12.728 -2.476 0.896
147 2HE2 GLN 18 2HE2 GLN 18 -13.724 -3.864 0.636
148 H ALA 19 H ALA 19 -12.072 0.552 -5.612
149 HA ALA 19 HA ALA 19 -10.256 -1.444 -6.800
150 1HB ALA 19 1HB ALA 19 -12.788 -0.280 -7.956
151 2HB ALA 19 2HB ALA 19 -12.544 -1.932 -7.396
152 3HB ALA 19 3HB ALA 19 -11.680 -1.348 -8.816
153 H LYS 20 H LYS 20 -9.572 1.228 -5.856
154 HA LYS 20 HA LYS 20 -8.984 2.592 -8.396
155 1HB LYS 20 1HB LYS 20 -10.116 3.660 -6.204
156 2HB LYS 20 2HB LYS 20 -8.428 3.936 -5.812
157 1HG LYS 20 1HG LYS 20 -8.220 5.000 -8.108
158 2HG LYS 20 2HG LYS 20 -9.984 4.972 -8.156
159 1HD LYS 20 1HD LYS 20 -9.780 7.004 -7.204
160 2HD LYS 20 2HD LYS 20 -9.584 6.068 -5.720
161 1HE LYS 20 1HE LYS 20 -7.120 6.104 -6.112
162 2HE LYS 20 2HE LYS 20 -7.400 7.196 -7.468
163 1HZ LYS 20 1HZ LYS 20 -7.076 8.740 -5.876
164 2HZ LYS 20 2HZ LYS 20 -7.540 7.716 -4.612
165 3HZ LYS 20 3HZ LYS 20 -8.720 8.472 -5.556
166 H HIS 21 H HIS 21 -7.540 0.256 -7.352
167 HA HIS 21 HA HIS 21 -5.404 -0.496 -7.168
168 1HB HIS 21 1HB HIS 21 -5.096 2.112 -8.568
169 2HB HIS 21 2HB HIS 21 -3.636 1.352 -7.932
170 HD1 HIS 21 HD1 HIS 21 -4.056 -1.544 -8.600
171 HD2 HIS 21 HD2 HIS 21 -5.076 1.524 -11.204
172 HE1 HIS 21 HE1 HIS 21 -4.080 -2.584 -10.888
173 HE2 HIS 21 HE2 HIS 21 -4.616 -0.688 -12.456
174 H GLY 22 H GLY 22 -4.756 -0.852 -5.148
175 1HA GLY 22 1HA GLY 22 -4.756 1.028 -3.072
176 2HA GLY 22 2HA GLY 22 -3.888 -0.500 -3.052
177 H ASP 23 H ASP 23 -3.644 2.896 -3.336
178 HA ASP 23 HA ASP 23 -0.768 2.744 -3.156
179 1HB ASP 23 1HB ASP 23 -1.136 2.700 -5.596
180 2HB ASP 23 2HB ASP 23 -2.052 4.204 -5.476
181 HA PRO 24 HA PRO 24 -1.396 6.164 -0.428
182 1HB PRO 24 1HB PRO 24 1.148 7.188 -1.600
183 2HB PRO 24 2HB PRO 24 0.704 6.952 0.096
184 1HG PRO 24 1HG PRO 24 2.348 5.252 -1.120
185 2HG PRO 24 2HG PRO 24 1.124 4.672 0.024
186 1HD PRO 24 1HD PRO 24 1.148 4.548 -2.956
187 2HD PRO 24 2HD PRO 24 0.520 3.372 -1.780
188 H GLY 25 H GLY 25 -3.036 7.440 -1.120
189 1HA GLY 25 1HA GLY 25 -2.548 9.200 -3.432
190 2HA GLY 25 2HA GLY 25 -4.132 8.760 -2.804
191 H ASP 26 H ASP 26 -1.184 10.564 -2.020
192 HA ASP 26 HA ASP 26 -2.848 12.620 -0.776
193 1HB ASP 26 1HB ASP 26 -1.980 10.992 0.992
194 2HB ASP 26 2HB ASP 26 -0.372 11.616 0.628
Start of MODEL 6
1 H SER 1 H SER 1 -36.144 -0.892 -2.604
2 HA SER 1 HA SER 1 -33.828 -2.596 -3.136
3 1HB SER 1 1HB SER 1 -34.532 0.064 -4.412
4 2HB SER 1 2HB SER 1 -32.976 -0.756 -4.568
5 HG SER 1 HG SER 1 -34.304 -2.568 -5.420
6 H ALA 2 H ALA 2 -35.080 -1.536 -0.720
7 HA ALA 2 HA ALA 2 -34.108 0.764 0.352
8 1HB ALA 2 1HB ALA 2 -34.488 -1.968 1.496
9 2HB ALA 2 2HB ALA 2 -35.484 -0.528 1.708
10 3HB ALA 2 3HB ALA 2 -33.912 -0.636 2.504
11 H ASP 3 H ASP 3 -32.476 -2.336 0.840
12 HA ASP 3 HA ASP 3 -29.964 -1.080 1.472
13 1HB ASP 3 1HB ASP 3 -30.672 -3.132 2.612
14 2HB ASP 3 2HB ASP 3 -30.732 -3.980 1.056
15 H GLU 4 H GLU 4 -31.372 -2.908 -1.156
16 HA GLU 4 HA GLU 4 -29.188 -3.408 -2.752
17 1HB GLU 4 1HB GLU 4 -31.328 -4.344 -3.236
18 2HB GLU 4 2HB GLU 4 -32.044 -2.748 -3.432
19 1HG GLU 4 1HG GLU 4 -29.804 -3.300 -5.236
20 2HG GLU 4 2HG GLU 4 -31.188 -4.372 -5.452
21 H GLU 5 H GLU 5 -31.380 -0.588 -3.024
22 HA GLU 5 HA GLU 5 -30.068 0.788 -5.020
23 1HB GLU 5 1HB GLU 5 -32.228 1.288 -3.548
24 2HB GLU 5 2HB GLU 5 -31.096 2.348 -2.716
25 1HG GLU 5 1HG GLU 5 -31.536 2.420 -5.684
26 2HG GLU 5 2HG GLU 5 -32.460 3.400 -4.548
27 H LEU 6 H LEU 6 -29.628 1.176 -1.520
28 HA LEU 6 HA LEU 6 -27.472 2.932 -1.592
29 1HB LEU 6 1HB LEU 6 -28.920 1.596 0.376
30 2HB LEU 6 2HB LEU 6 -27.284 0.964 0.536
31 HG LEU 6 HG LEU 6 -26.452 3.300 0.748
32 1HD1 LEU 6 1HD1 LEU 6 -29.364 4.044 0.964
33 2HD1 LEU 6 2HD1 LEU 6 -28.360 4.352 -0.452
34 3HD1 LEU 6 3HD1 LEU 6 -27.972 5.120 1.088
35 1HD2 LEU 6 1HD2 LEU 6 -28.484 3.144 2.872
36 2HD2 LEU 6 2HD2 LEU 6 -26.724 3.236 2.980
37 3HD2 LEU 6 3HD2 LEU 6 -27.508 1.692 2.648
38 H GLU 7 H GLU 7 -27.736 -0.516 -1.844
39 HA GLU 7 HA GLU 7 -25.108 -1.240 -1.440
40 1HB GLU 7 1HB GLU 7 -27.340 -2.612 -2.104
41 2HB GLU 7 2HB GLU 7 -26.496 -2.652 -3.644
42 1HG GLU 7 1HG GLU 7 -24.960 -4.100 -2.916
43 2HG GLU 7 2HG GLU 7 -24.832 -3.328 -1.336
44 H ALA 8 H ALA 8 -26.688 0.032 -4.300
45 HA ALA 8 HA ALA 8 -24.388 -0.176 -6.008
46 1HB ALA 8 1HB ALA 8 -26.192 1.848 -6.896
47 2HB ALA 8 2HB ALA 8 -27.132 0.480 -6.304
48 3HB ALA 8 3HB ALA 8 -25.924 0.244 -7.568
49 H LEU 9 H LEU 9 -25.744 2.116 -3.796
50 HA LEU 9 HA LEU 9 -24.192 4.372 -4.568
51 1HB LEU 9 1HB LEU 9 -26.368 4.528 -3.396
52 2HB LEU 9 2HB LEU 9 -25.644 3.788 -1.976
53 HG LEU 9 HG LEU 9 -24.424 5.700 -1.448
54 1HD1 LEU 9 1HD1 LEU 9 -23.212 6.320 -3.280
55 2HD1 LEU 9 2HD1 LEU 9 -24.392 7.632 -3.232
56 3HD1 LEU 9 3HD1 LEU 9 -24.608 6.288 -4.356
57 1HD2 LEU 9 1HD2 LEU 9 -26.680 6.208 -0.988
58 2HD2 LEU 9 2HD2 LEU 9 -27.036 6.528 -2.688
59 3HD2 LEU 9 3HD2 LEU 9 -26.020 7.644 -1.772
60 H ARG 10 H ARG 10 -24.016 1.996 -2.020
61 HA ARG 10 HA ARG 10 -21.604 3.064 -0.876
62 1HB ARG 10 1HB ARG 10 -22.520 0.296 -0.276
63 2HB ARG 10 2HB ARG 10 -21.928 1.536 0.812
64 1HG ARG 10 1HG ARG 10 -24.392 2.424 -0.288
65 2HG ARG 10 2HG ARG 10 -24.616 0.780 0.300
66 1HD ARG 10 1HD ARG 10 -23.472 3.092 1.856
67 2HD ARG 10 2HD ARG 10 -25.120 2.488 1.984
68 HE ARG 10 HE ARG 10 -22.776 1.364 3.184
69 1HH1 ARG 10 1HH1 ARG 10 -25.960 0.632 1.972
70 2HH1 ARG 10 2HH1 ARG 10 -26.148 -0.780 2.960
71 1HH2 ARG 10 1HH2 ARG 10 -23.016 -0.488 4.484
72 2HH2 ARG 10 2HH2 ARG 10 -24.476 -1.416 4.384
73 H ARG 11 H ARG 11 -22.444 0.692 -3.268
74 HA ARG 11 HA ARG 11 -19.784 -0.444 -3.264
75 1HB ARG 11 1HB ARG 11 -21.808 -1.800 -3.848
76 2HB ARG 11 2HB ARG 11 -22.000 -0.808 -5.288
77 1HG ARG 11 1HG ARG 11 -20.908 -2.652 -6.116
78 2HG ARG 11 2HG ARG 11 -19.572 -1.536 -5.812
79 1HD ARG 11 1HD ARG 11 -18.740 -3.428 -4.836
80 2HD ARG 11 2HD ARG 11 -19.572 -2.716 -3.456
81 HE ARG 11 HE ARG 11 -21.236 -4.496 -4.960
82 1HH1 ARG 11 1HH1 ARG 11 -18.780 -4.332 -2.484
83 2HH1 ARG 11 2HH1 ARG 11 -19.248 -5.828 -1.748
84 1HH2 ARG 11 1HH2 ARG 11 -21.852 -6.464 -3.988
85 2HH2 ARG 11 2HH2 ARG 11 -20.988 -7.040 -2.604
86 H GLN 12 H GLN 12 -21.648 1.968 -4.936
87 HA GLN 12 HA GLN 12 -19.848 2.272 -7.072
88 1HB GLN 12 1HB GLN 12 -22.068 3.184 -7.288
89 2HB GLN 12 2HB GLN 12 -21.836 4.200 -5.872
90 1HG GLN 12 1HG GLN 12 -20.232 5.552 -7.032
91 2HG GLN 12 2HG GLN 12 -20.272 4.472 -8.424
92 1HE2 GLN 12 1HE2 GLN 12 -21.100 5.692 -9.992
93 2HE2 GLN 12 2HE2 GLN 12 -22.608 6.524 -9.916
94 H ARG 13 H ARG 13 -20.268 3.992 -4.020
95 HA ARG 13 HA ARG 13 -17.892 5.564 -4.348
96 1HB ARG 13 1HB ARG 13 -19.964 5.216 -2.236
97 2HB ARG 13 2HB ARG 13 -18.408 5.888 -1.760
98 1HG ARG 13 1HG ARG 13 -18.756 7.532 -3.700
99 2HG ARG 13 2HG ARG 13 -20.440 7.008 -3.652
100 1HD ARG 13 1HD ARG 13 -19.928 9.064 -2.316
101 2HD ARG 13 2HD ARG 13 -20.692 7.756 -1.412
102 HE ARG 13 HE ARG 13 -17.820 7.736 -1.272
103 1HH1 ARG 13 1HH1 ARG 13 -20.744 9.032 0.124
104 2HH1 ARG 13 2HH1 ARG 13 -20.020 9.352 1.664
105 1HH2 ARG 13 1HH2 ARG 13 -16.864 8.156 0.752
106 2HH2 ARG 13 2HH2 ARG 13 -17.812 8.856 2.020
107 H LEU 14 H LEU 14 -18.740 2.528 -2.796
108 HA LEU 14 HA LEU 14 -16.280 2.368 -1.328
109 1HB LEU 14 1HB LEU 14 -18.328 1.356 -0.464
110 2HB LEU 14 2HB LEU 14 -18.368 0.272 -1.836
111 HG LEU 14 HG LEU 14 -16.664 -1.056 -1.040
112 1HD1 LEU 14 1HD1 LEU 14 -14.908 0.468 -0.772
113 2HD1 LEU 14 2HD1 LEU 14 -15.128 -0.264 0.816
114 3HD1 LEU 14 3HD1 LEU 14 -15.752 1.352 0.496
115 1HD2 LEU 14 1HD2 LEU 14 -17.008 -1.204 1.508
116 2HD2 LEU 14 2HD2 LEU 14 -18.392 -1.484 0.456
117 3HD2 LEU 14 3HD2 LEU 14 -18.204 0.068 1.272
118 H ALA 15 H ALA 15 -17.624 0.428 -3.996
119 HA ALA 15 HA ALA 15 -15.300 -1.052 -4.480
120 1HB ALA 15 1HB ALA 15 -16.312 -1.768 -6.488
121 2HB ALA 15 2HB ALA 15 -17.300 -0.312 -6.596
122 3HB ALA 15 3HB ALA 15 -17.628 -1.512 -5.344
123 H GLU 16 H GLU 16 -16.184 2.168 -5.440
124 HA GLU 16 HA GLU 16 -14.492 2.552 -7.620
125 1HB GLU 16 1HB GLU 16 -15.896 4.264 -5.692
126 2HB GLU 16 2HB GLU 16 -14.452 4.992 -6.380
127 1HG GLU 16 1HG GLU 16 -15.296 4.712 -8.604
128 2HG GLU 16 2HG GLU 16 -16.680 3.796 -8.008
129 H LEU 17 H LEU 17 -13.860 3.204 -4.176
130 HA LEU 17 HA LEU 17 -11.116 3.860 -4.624
131 1HB LEU 17 1HB LEU 17 -12.816 3.408 -2.208
132 2HB LEU 17 2HB LEU 17 -11.072 3.500 -2.040
133 HG LEU 17 HG LEU 17 -11.268 5.752 -3.276
134 1HD1 LEU 17 1HD1 LEU 17 -14.128 5.332 -2.420
135 2HD1 LEU 17 2HD1 LEU 17 -13.532 5.556 -4.060
136 3HD1 LEU 17 3HD1 LEU 17 -13.440 6.884 -2.904
137 1HD2 LEU 17 1HD2 LEU 17 -11.140 6.784 -1.272
138 2HD2 LEU 17 2HD2 LEU 17 -11.052 5.120 -0.688
139 3HD2 LEU 17 3HD2 LEU 17 -12.584 5.988 -0.644
140 H GLN 18 H GLN 18 -12.840 1.012 -3.432
141 HA GLN 18 HA GLN 18 -10.616 -0.532 -2.732
142 1HB GLN 18 1HB GLN 18 -13.260 -1.504 -3.832
143 2HB GLN 18 2HB GLN 18 -12.104 -2.460 -2.916
144 1HG GLN 18 1HG GLN 18 -12.848 -0.064 -1.492
145 2HG GLN 18 2HG GLN 18 -14.260 -1.032 -1.920
146 1HE2 GLN 18 1HE2 GLN 18 -12.872 -0.476 0.668
147 2HE2 GLN 18 2HE2 GLN 18 -12.568 -2.036 1.352
148 H ALA 19 H ALA 19 -11.876 0.328 -5.824
149 HA ALA 19 HA ALA 19 -10.308 -1.756 -7.164
150 1HB ALA 19 1HB ALA 19 -11.444 -0.764 -9.236
151 2HB ALA 19 2HB ALA 19 -12.464 0.116 -8.092
152 3HB ALA 19 3HB ALA 19 -12.452 -1.648 -8.088
153 H LYS 20 H LYS 20 -10.908 1.712 -7.748
154 HA LYS 20 HA LYS 20 -8.588 2.132 -9.260
155 1HB LYS 20 1HB LYS 20 -10.700 3.620 -8.948
156 2HB LYS 20 2HB LYS 20 -9.812 4.304 -7.592
157 1HG LYS 20 1HG LYS 20 -8.364 4.136 -10.160
158 2HG LYS 20 2HG LYS 20 -9.700 5.288 -10.076
159 1HD LYS 20 1HD LYS 20 -8.692 6.284 -8.068
160 2HD LYS 20 2HD LYS 20 -7.348 5.144 -8.188
161 1HE LYS 20 1HE LYS 20 -6.396 6.244 -9.928
162 2HE LYS 20 2HE LYS 20 -7.948 6.732 -10.604
163 1HZ LYS 20 1HZ LYS 20 -6.828 7.928 -8.136
164 2HZ LYS 20 2HZ LYS 20 -8.112 8.504 -9.080
165 3HZ LYS 20 3HZ LYS 20 -6.528 8.564 -9.676
166 H HIS 21 H HIS 21 -9.148 2.176 -5.812
167 HA HIS 21 HA HIS 21 -7.744 2.332 -4.028
168 1HB HIS 21 1HB HIS 21 -6.540 0.564 -5.376
169 2HB HIS 21 2HB HIS 21 -5.492 1.844 -5.980
170 HD1 HIS 21 HD1 HIS 21 -3.972 3.048 -4.160
171 HD2 HIS 21 HD2 HIS 21 -5.892 -0.412 -2.896
172 HE1 HIS 21 HE1 HIS 21 -2.792 2.360 -2.052
173 HE2 HIS 21 HE2 HIS 21 -4.028 0.312 -1.256
174 H GLY 22 H GLY 22 -6.152 3.704 -2.988
175 1HA GLY 22 1HA GLY 22 -5.896 6.276 -4.400
176 2HA GLY 22 2HA GLY 22 -5.936 6.076 -2.656
177 H ASP 23 H ASP 23 -4.028 7.100 -2.196
178 HA ASP 23 HA ASP 23 -1.592 6.008 -3.420
179 1HB ASP 23 1HB ASP 23 -2.340 8.676 -2.340
180 2HB ASP 23 2HB ASP 23 -0.668 8.156 -2.108
181 HA PRO 24 HA PRO 24 -0.228 4.176 0.340
182 1HB PRO 24 1HB PRO 24 2.416 4.780 0.428
183 2HB PRO 24 2HB PRO 24 1.732 3.616 -0.720
184 1HG PRO 24 1HG PRO 24 2.468 6.488 -1.148
185 2HG PRO 24 2HG PRO 24 2.764 5.088 -2.196
186 1HD PRO 24 1HD PRO 24 0.736 6.832 -2.632
187 2HD PRO 24 2HD PRO 24 0.620 5.104 -3.036
188 H GLY 25 H GLY 25 -1.164 5.144 2.084
189 1HA GLY 25 1HA GLY 25 -0.644 6.180 4.192
190 2HA GLY 25 2HA GLY 25 0.376 7.324 3.332
191 H ASP 26 H ASP 26 -2.796 6.612 4.448
192 HA ASP 26 HA ASP 26 -3.640 9.296 4.252
193 1HB ASP 26 1HB ASP 26 -3.808 8.248 1.816
194 2HB ASP 26 2HB ASP 26 -5.320 7.612 2.452
Start of MODEL 7
1 H SER 1 H SER 1 -35.924 -0.592 -3.456
2 HA SER 1 HA SER 1 -33.876 -2.688 -3.628
3 1HB SER 1 1HB SER 1 -33.704 0.096 -4.804
4 2HB SER 1 2HB SER 1 -32.556 -1.236 -4.996
5 HG SER 1 HG SER 1 -35.080 -0.868 -6.172
6 H ALA 2 H ALA 2 -35.064 -1.800 -1.288
7 HA ALA 2 HA ALA 2 -34.116 0.392 0.028
8 1HB ALA 2 1HB ALA 2 -35.568 -0.984 1.220
9 2HB ALA 2 2HB ALA 2 -34.032 -1.188 2.064
10 3HB ALA 2 3HB ALA 2 -34.588 -2.424 0.928
11 H ASP 3 H ASP 3 -32.532 -2.776 0.248
12 HA ASP 3 HA ASP 3 -30.032 -1.604 1.076
13 1HB ASP 3 1HB ASP 3 -30.784 -3.732 2.032
14 2HB ASP 3 2HB ASP 3 -30.812 -4.452 0.416
15 H GLU 4 H GLU 4 -31.404 -3.128 -1.752
16 HA GLU 4 HA GLU 4 -29.144 -3.520 -3.312
17 1HB GLU 4 1HB GLU 4 -31.104 -4.480 -4.096
18 2HB GLU 4 2HB GLU 4 -32.032 -3.008 -3.872
19 1HG GLU 4 1HG GLU 4 -30.892 -2.008 -5.800
20 2HG GLU 4 2HG GLU 4 -29.968 -3.496 -6.016
21 H GLU 5 H GLU 5 -31.360 -0.712 -3.424
22 HA GLU 5 HA GLU 5 -30.004 0.836 -5.260
23 1HB GLU 5 1HB GLU 5 -32.216 1.200 -3.824
24 2HB GLU 5 2HB GLU 5 -31.128 2.184 -2.860
25 1HG GLU 5 1HG GLU 5 -31.464 2.516 -5.828
26 2HG GLU 5 2HG GLU 5 -32.440 3.384 -4.640
27 H LEU 6 H LEU 6 -29.684 0.928 -1.728
28 HA LEU 6 HA LEU 6 -27.544 2.696 -1.572
29 1HB LEU 6 1HB LEU 6 -29.008 1.044 0.200
30 2HB LEU 6 2HB LEU 6 -27.304 0.648 0.412
31 HG LEU 6 HG LEU 6 -28.648 3.320 0.820
32 1HD1 LEU 6 1HD1 LEU 6 -27.452 1.232 2.560
33 2HD1 LEU 6 2HD1 LEU 6 -28.888 2.220 2.804
34 3HD1 LEU 6 3HD1 LEU 6 -27.284 2.916 3.044
35 1HD2 LEU 6 1HD2 LEU 6 -25.916 2.752 0.036
36 2HD2 LEU 6 2HD2 LEU 6 -26.000 3.572 1.592
37 3HD2 LEU 6 3HD2 LEU 6 -26.752 4.296 0.172
38 H GLU 7 H GLU 7 -27.772 -0.724 -2.112
39 HA GLU 7 HA GLU 7 -25.148 -1.460 -1.696
40 1HB GLU 7 1HB GLU 7 -27.428 -2.696 -2.724
41 2HB GLU 7 2HB GLU 7 -26.252 -2.808 -4.028
42 1HG GLU 7 1HG GLU 7 -25.552 -4.648 -2.996
43 2HG GLU 7 2HG GLU 7 -24.764 -3.544 -1.868
44 H ALA 8 H ALA 8 -26.652 0.060 -4.468
45 HA ALA 8 HA ALA 8 -24.324 -0.028 -6.144
46 1HB ALA 8 1HB ALA 8 -27.012 0.580 -6.516
47 2HB ALA 8 2HB ALA 8 -25.728 0.732 -7.720
48 3HB ALA 8 3HB ALA 8 -26.184 2.120 -6.736
49 H LEU 9 H LEU 9 -25.688 2.056 -3.748
50 HA LEU 9 HA LEU 9 -24.068 4.336 -4.240
51 1HB LEU 9 1HB LEU 9 -26.260 4.464 -3.128
52 2HB LEU 9 2HB LEU 9 -25.636 3.520 -1.784
53 HG LEU 9 HG LEU 9 -24.348 5.288 -0.980
54 1HD1 LEU 9 1HD1 LEU 9 -24.396 6.228 -3.792
55 2HD1 LEU 9 2HD1 LEU 9 -23.048 6.096 -2.664
56 3HD1 LEU 9 3HD1 LEU 9 -24.196 7.428 -2.520
57 1HD2 LEU 9 1HD2 LEU 9 -26.300 6.168 -0.316
58 2HD2 LEU 9 2HD2 LEU 9 -27.036 5.988 -1.908
59 3HD2 LEU 9 3HD2 LEU 9 -26.004 7.376 -1.564
60 H ARG 10 H ARG 10 -23.928 1.584 -2.112
61 HA ARG 10 HA ARG 10 -21.592 2.488 -0.700
62 1HB ARG 10 1HB ARG 10 -22.464 -0.364 -0.696
63 2HB ARG 10 2HB ARG 10 -21.856 0.616 0.628
64 1HG ARG 10 1HG ARG 10 -24.372 1.636 -0.340
65 2HG ARG 10 2HG ARG 10 -24.520 -0.060 0.112
66 1HD ARG 10 1HD ARG 10 -22.996 1.500 2.036
67 2HD ARG 10 2HD ARG 10 -24.624 2.144 1.772
68 HE ARG 10 HE ARG 10 -24.752 -0.648 2.140
69 1HH1 ARG 10 1HH1 ARG 10 -24.144 2.280 3.932
70 2HH1 ARG 10 2HH1 ARG 10 -24.704 1.628 5.432
71 1HH2 ARG 10 1HH2 ARG 10 -25.488 -1.508 4.112
72 2HH2 ARG 10 2HH2 ARG 10 -25.464 -0.524 5.536
73 H ARG 11 H ARG 11 -22.304 0.516 -3.480
74 HA ARG 11 HA ARG 11 -19.580 -0.436 -3.648
75 1HB ARG 11 1HB ARG 11 -22.088 -0.852 -5.200
76 2HB ARG 11 2HB ARG 11 -20.568 -1.048 -6.056
77 1HG ARG 11 1HG ARG 11 -21.348 -3.180 -5.228
78 2HG ARG 11 2HG ARG 11 -19.856 -2.716 -4.412
79 1HD ARG 11 1HD ARG 11 -21.436 -1.724 -2.620
80 2HD ARG 11 2HD ARG 11 -22.656 -2.756 -3.356
81 HE ARG 11 HE ARG 11 -20.332 -4.252 -2.796
82 1HH1 ARG 11 1HH1 ARG 11 -23.048 -2.744 -1.208
83 2HH1 ARG 11 2HH1 ARG 11 -23.036 -3.840 0.128
84 1HH2 ARG 11 1HH2 ARG 11 -20.312 -5.700 -1.040
85 2HH2 ARG 11 2HH2 ARG 11 -21.484 -5.520 0.228
86 H GLN 12 H GLN 12 -21.588 2.112 -4.888
87 HA GLN 12 HA GLN 12 -19.860 2.852 -6.968
88 1HB GLN 12 1HB GLN 12 -22.096 4.164 -5.512
89 2HB GLN 12 2HB GLN 12 -21.008 5.212 -6.412
90 1HG GLN 12 1HG GLN 12 -22.028 2.840 -7.840
91 2HG GLN 12 2HG GLN 12 -23.192 4.108 -7.472
92 1HE2 GLN 12 1HE2 GLN 12 -23.040 6.076 -8.488
93 2HE2 GLN 12 2HE2 GLN 12 -21.980 6.364 -9.820
94 H ARG 13 H ARG 13 -20.248 4.024 -3.664
95 HA ARG 13 HA ARG 13 -17.932 5.708 -3.776
96 1HB ARG 13 1HB ARG 13 -19.952 4.968 -1.724
97 2HB ARG 13 2HB ARG 13 -18.400 5.580 -1.156
98 1HG ARG 13 1HG ARG 13 -19.948 7.060 -3.240
99 2HG ARG 13 2HG ARG 13 -20.348 7.228 -1.532
100 1HD ARG 13 1HD ARG 13 -17.696 7.572 -1.400
101 2HD ARG 13 2HD ARG 13 -17.980 8.164 -3.032
102 HE ARG 13 HE ARG 13 -19.864 9.372 -1.396
103 1HH1 ARG 13 1HH1 ARG 13 -16.396 9.324 -1.748
104 2HH1 ARG 13 2HH1 ARG 13 -16.188 10.932 -1.144
105 1HH2 ARG 13 1HH2 ARG 13 -19.592 11.488 -0.596
106 2HH2 ARG 13 2HH2 ARG 13 -18.000 12.160 -0.488
107 H LEU 14 H LEU 14 -18.668 2.460 -2.636
108 HA LEU 14 HA LEU 14 -16.144 2.156 -1.312
109 1HB LEU 14 1HB LEU 14 -18.196 1.032 -0.540
110 2HB LEU 14 2HB LEU 14 -18.176 0.056 -1.996
111 HG LEU 14 HG LEU 14 -17.292 -1.044 0.108
112 1HD1 LEU 14 1HD1 LEU 14 -15.824 -2.364 -1.088
113 2HD1 LEU 14 2HD1 LEU 14 -15.188 -1.000 -2.012
114 3HD1 LEU 14 3HD1 LEU 14 -16.796 -1.632 -2.368
115 1HD2 LEU 14 1HD2 LEU 14 -14.980 -0.540 0.720
116 2HD2 LEU 14 2HD2 LEU 14 -16.036 0.848 0.984
117 3HD2 LEU 14 3HD2 LEU 14 -14.968 0.804 -0.420
118 H ALA 15 H ALA 15 -17.572 0.536 -4.152
119 HA ALA 15 HA ALA 15 -15.264 -0.848 -4.892
120 1HB ALA 15 1HB ALA 15 -16.336 -1.364 -6.900
121 2HB ALA 15 2HB ALA 15 -17.244 0.148 -6.912
122 3HB ALA 15 3HB ALA 15 -17.656 -1.124 -5.760
123 H GLU 16 H GLU 16 -16.168 2.472 -5.400
124 HA GLU 16 HA GLU 16 -14.508 3.120 -7.548
125 1HB GLU 16 1HB GLU 16 -15.900 4.584 -5.412
126 2HB GLU 16 2HB GLU 16 -14.472 5.404 -6.036
127 1HG GLU 16 1HG GLU 16 -15.360 5.332 -8.276
128 2HG GLU 16 2HG GLU 16 -16.748 4.392 -7.728
129 H LEU 17 H LEU 17 -13.848 3.368 -4.052
130 HA LEU 17 HA LEU 17 -11.084 4.036 -4.508
131 1HB LEU 17 1HB LEU 17 -12.776 3.540 -2.084
132 2HB LEU 17 2HB LEU 17 -11.028 3.604 -1.940
133 HG LEU 17 HG LEU 17 -11.056 5.888 -2.896
134 1HD1 LEU 17 1HD1 LEU 17 -14.044 5.532 -2.756
135 2HD1 LEU 17 2HD1 LEU 17 -13.072 5.780 -4.208
136 3HD1 LEU 17 3HD1 LEU 17 -13.220 7.072 -3.012
137 1HD2 LEU 17 1HD2 LEU 17 -11.480 6.888 -0.892
138 2HD2 LEU 17 2HD2 LEU 17 -11.384 5.204 -0.376
139 3HD2 LEU 17 3HD2 LEU 17 -12.960 5.964 -0.616
140 H GLN 18 H GLN 18 -12.884 1.204 -3.380
141 HA GLN 18 HA GLN 18 -10.720 -0.428 -2.728
142 1HB GLN 18 1HB GLN 18 -13.560 -0.876 -3.464
143 2HB GLN 18 2HB GLN 18 -12.488 -2.264 -3.572
144 1HG GLN 18 1HG GLN 18 -11.780 -1.472 -1.164
145 2HG GLN 18 2HG GLN 18 -13.384 -0.740 -1.196
146 1HE2 GLN 18 1HE2 GLN 18 -12.828 -2.660 0.636
147 2HE2 GLN 18 2HE2 GLN 18 -13.676 -4.112 0.252
148 H ALA 19 H ALA 19 -11.916 0.560 -5.808
149 HA ALA 19 HA ALA 19 -10.584 -1.572 -7.256
150 1HB ALA 19 1HB ALA 19 -12.592 -0.912 -8.264
151 2HB ALA 19 2HB ALA 19 -11.336 -0.180 -9.264
152 3HB ALA 19 3HB ALA 19 -12.216 0.804 -8.092
153 H LYS 20 H LYS 20 -10.144 1.868 -6.624
154 HA LYS 20 HA LYS 20 -7.560 1.768 -8.020
155 1HB LYS 20 1HB LYS 20 -9.284 3.512 -8.664
156 2HB LYS 20 2HB LYS 20 -9.004 4.244 -7.088
157 1HG LYS 20 1HG LYS 20 -6.476 4.084 -7.956
158 2HG LYS 20 2HG LYS 20 -7.316 4.228 -9.504
159 1HD LYS 20 1HD LYS 20 -8.040 6.348 -9.068
160 2HD LYS 20 2HD LYS 20 -8.116 6.080 -7.324
161 1HE LYS 20 1HE LYS 20 -6.264 7.364 -7.300
162 2HE LYS 20 2HE LYS 20 -5.456 5.860 -7.744
163 1HZ LYS 20 1HZ LYS 20 -6.372 7.976 -9.612
164 2HZ LYS 20 2HZ LYS 20 -5.680 6.508 -10.084
165 3HZ LYS 20 3HZ LYS 20 -4.768 7.628 -9.200
166 H HIS 21 H HIS 21 -8.072 0.700 -5.332
167 HA HIS 21 HA HIS 21 -7.060 0.624 -3.296
168 1HB HIS 21 1HB HIS 21 -5.096 2.104 -4.976
169 2HB HIS 21 2HB HIS 21 -4.840 2.084 -3.228
170 HD1 HIS 21 HD1 HIS 21 -5.840 -0.880 -2.800
171 HD2 HIS 21 HD2 HIS 21 -3.056 0.372 -5.620
172 HE1 HIS 21 HE1 HIS 21 -4.460 -2.916 -3.336
173 HE2 HIS 21 HE2 HIS 21 -2.840 -2.156 -5.108
174 H GLY 22 H GLY 22 -8.192 1.536 -1.712
175 1HA GLY 22 1HA GLY 22 -7.604 4.076 -0.696
176 2HA GLY 22 2HA GLY 22 -9.052 4.216 -1.680
177 H ASP 23 H ASP 23 -8.156 4.040 1.376
178 HA ASP 23 HA ASP 23 -10.676 3.360 2.376
179 1HB ASP 23 1HB ASP 23 -8.812 1.112 2.036
180 2HB ASP 23 2HB ASP 23 -9.496 1.244 3.656
181 HA PRO 24 HA PRO 24 -7.668 3.788 6.100
182 1HB PRO 24 1HB PRO 24 -4.996 3.756 5.644
183 2HB PRO 24 2HB PRO 24 -5.936 2.280 5.928
184 1HG PRO 24 1HG PRO 24 -5.004 3.472 3.340
185 2HG PRO 24 2HG PRO 24 -4.980 1.776 3.864
186 1HD PRO 24 1HD PRO 24 -6.880 2.776 2.204
187 2HD PRO 24 2HD PRO 24 -7.204 1.456 3.352
188 H GLY 25 H GLY 25 -7.764 5.844 6.736
189 1HA GLY 25 1HA GLY 25 -6.212 7.852 5.248
190 2HA GLY 25 2HA GLY 25 -7.916 8.144 5.576
191 H ASP 26 H ASP 26 -8.580 8.228 7.844
192 HA ASP 26 HA ASP 26 -6.952 9.952 9.344
193 1HB ASP 26 1HB ASP 26 -9.328 8.296 10.224
194 2HB ASP 26 2HB ASP 26 -8.612 9.604 11.160
Start of MODEL 8
1 H SER 1 H SER 1 -36.168 -2.444 -2.656
2 HA SER 1 HA SER 1 -33.984 -2.464 -3.540
3 1HB SER 1 1HB SER 1 -34.504 0.216 -4.804
4 2HB SER 1 2HB SER 1 -33.244 -0.968 -5.176
5 HG SER 1 HG SER 1 -34.648 -2.120 -6.348
6 H ALA 2 H ALA 2 -34.452 -2.188 -1.164
7 HA ALA 2 HA ALA 2 -34.056 0.500 -0.132
8 1HB ALA 2 1HB ALA 2 -34.664 -2.176 1.036
9 2HB ALA 2 2HB ALA 2 -35.532 -0.652 1.220
10 3HB ALA 2 3HB ALA 2 -34.008 -0.908 2.072
11 H ASP 3 H ASP 3 -32.528 -2.664 0.248
12 HA ASP 3 HA ASP 3 -30.020 -1.536 1.132
13 1HB ASP 3 1HB ASP 3 -30.796 -3.652 2.072
14 2HB ASP 3 2HB ASP 3 -30.888 -4.360 0.452
15 H GLU 4 H GLU 4 -31.416 -3.024 -1.700
16 HA GLU 4 HA GLU 4 -29.196 -3.448 -3.288
17 1HB GLU 4 1HB GLU 4 -31.188 -4.340 -4.068
18 2HB GLU 4 2HB GLU 4 -32.080 -2.848 -3.792
19 1HG GLU 4 1HG GLU 4 -30.956 -1.832 -5.716
20 2HG GLU 4 2HG GLU 4 -30.068 -3.332 -5.988
21 H GLU 5 H GLU 5 -31.336 -0.584 -3.304
22 HA GLU 5 HA GLU 5 -29.980 0.972 -5.132
23 1HB GLU 5 1HB GLU 5 -32.144 1.344 -3.608
24 2HB GLU 5 2HB GLU 5 -30.996 2.312 -2.692
25 1HG GLU 5 1HG GLU 5 -31.464 2.664 -5.636
26 2HG GLU 5 2HG GLU 5 -32.356 3.552 -4.404
27 H LEU 6 H LEU 6 -29.576 0.972 -1.604
28 HA LEU 6 HA LEU 6 -27.384 2.680 -1.472
29 1HB LEU 6 1HB LEU 6 -28.884 1.200 0.336
30 2HB LEU 6 2HB LEU 6 -27.276 0.492 0.440
31 HG LEU 6 HG LEU 6 -26.328 2.656 1.012
32 1HD1 LEU 6 1HD1 LEU 6 -29.132 3.644 0.580
33 2HD1 LEU 6 2HD1 LEU 6 -27.644 4.196 -0.192
34 3HD1 LEU 6 3HD1 LEU 6 -27.936 4.544 1.516
35 1HD2 LEU 6 1HD2 LEU 6 -27.004 2.672 3.204
36 2HD2 LEU 6 2HD2 LEU 6 -27.592 1.092 2.692
37 3HD2 LEU 6 3HD2 LEU 6 -28.708 2.452 2.796
38 H GLU 7 H GLU 7 -27.720 -0.720 -2.076
39 HA GLU 7 HA GLU 7 -25.112 -1.540 -1.724
40 1HB GLU 7 1HB GLU 7 -27.384 -2.764 -2.584
41 2HB GLU 7 2HB GLU 7 -26.468 -2.700 -4.084
42 1HG GLU 7 1HG GLU 7 -24.608 -3.852 -2.996
43 2HG GLU 7 2HG GLU 7 -25.528 -3.920 -1.500
44 H ALA 8 H ALA 8 -26.624 0.080 -4.440
45 HA ALA 8 HA ALA 8 -24.316 -0.020 -6.148
46 1HB ALA 8 1HB ALA 8 -26.080 2.164 -6.760
47 2HB ALA 8 2HB ALA 8 -27.020 0.712 -6.420
48 3HB ALA 8 3HB ALA 8 -25.780 0.692 -7.676
49 H LEU 9 H LEU 9 -25.612 2.056 -3.704
50 HA LEU 9 HA LEU 9 -23.964 4.316 -4.196
51 1HB LEU 9 1HB LEU 9 -26.148 4.460 -3.060
52 2HB LEU 9 2HB LEU 9 -25.508 3.508 -1.724
53 HG LEU 9 HG LEU 9 -24.204 5.268 -0.936
54 1HD1 LEU 9 1HD1 LEU 9 -22.916 6.064 -2.644
55 2HD1 LEU 9 2HD1 LEU 9 -24.048 7.408 -2.476
56 3HD1 LEU 9 3HD1 LEU 9 -24.280 6.216 -3.752
57 1HD2 LEU 9 1HD2 LEU 9 -26.456 5.820 -0.468
58 2HD2 LEU 9 2HD2 LEU 9 -26.736 6.396 -2.108
59 3HD2 LEU 9 3HD2 LEU 9 -25.692 7.312 -1.024
60 H ARG 10 H ARG 10 -23.872 1.588 -2.032
61 HA ARG 10 HA ARG 10 -21.512 2.452 -0.648
62 1HB ARG 10 1HB ARG 10 -22.444 -0.384 -0.624
63 2HB ARG 10 2HB ARG 10 -21.804 0.588 0.692
64 1HG ARG 10 1HG ARG 10 -24.292 1.680 -0.256
65 2HG ARG 10 2HG ARG 10 -24.492 -0.016 0.176
66 1HD ARG 10 1HD ARG 10 -22.920 1.496 2.104
67 2HD ARG 10 2HD ARG 10 -24.544 2.156 1.864
68 HE ARG 10 HE ARG 10 -24.880 -0.556 2.184
69 1HH1 ARG 10 1HH1 ARG 10 -23.536 2.048 4.076
70 2HH1 ARG 10 2HH1 ARG 10 -23.928 1.316 5.592
71 1HH2 ARG 10 1HH2 ARG 10 -25.396 -1.520 4.180
72 2HH2 ARG 10 2HH2 ARG 10 -24.984 -0.712 5.652
73 H ARG 11 H ARG 11 -22.252 0.476 -3.424
74 HA ARG 11 HA ARG 11 -19.540 -0.520 -3.576
75 1HB ARG 11 1HB ARG 11 -22.044 -0.904 -5.144
76 2HB ARG 11 2HB ARG 11 -20.520 -1.132 -5.988
77 1HG ARG 11 1HG ARG 11 -21.356 -3.244 -5.148
78 2HG ARG 11 2HG ARG 11 -19.852 -2.808 -4.336
79 1HD ARG 11 1HD ARG 11 -21.416 -1.768 -2.552
80 2HD ARG 11 2HD ARG 11 -22.652 -2.788 -3.280
81 HE ARG 11 HE ARG 11 -20.244 -4.196 -2.600
82 1HH1 ARG 11 1HH1 ARG 11 -23.328 -3.068 -1.420
83 2HH1 ARG 11 2HH1 ARG 11 -23.420 -4.256 -0.164
84 1HH2 ARG 11 1HH2 ARG 11 -20.368 -5.760 -0.948
85 2HH2 ARG 11 2HH2 ARG 11 -21.740 -5.784 0.104
86 H GLN 12 H GLN 12 -21.508 2.048 -4.844
87 HA GLN 12 HA GLN 12 -19.752 2.752 -6.912
88 1HB GLN 12 1HB GLN 12 -22.000 3.628 -6.936
89 2HB GLN 12 2HB GLN 12 -21.764 4.404 -5.376
90 1HG GLN 12 1HG GLN 12 -20.228 5.976 -6.332
91 2HG GLN 12 2HG GLN 12 -20.252 5.128 -7.876
92 1HE2 GLN 12 1HE2 GLN 12 -21.500 7.672 -6.160
93 2HE2 GLN 12 2HE2 GLN 12 -22.896 8.000 -7.128
94 H ARG 13 H ARG 13 -20.156 3.948 -3.616
95 HA ARG 13 HA ARG 13 -17.820 5.608 -3.716
96 1HB ARG 13 1HB ARG 13 -19.548 4.720 -1.404
97 2HB ARG 13 2HB ARG 13 -18.244 5.896 -1.280
98 1HG ARG 13 1HG ARG 13 -20.420 6.352 -3.260
99 2HG ARG 13 2HG ARG 13 -20.724 6.668 -1.556
100 1HD ARG 13 1HD ARG 13 -18.712 8.124 -1.524
101 2HD ARG 13 2HD ARG 13 -18.548 7.876 -3.260
102 HE ARG 13 HE ARG 13 -21.076 8.796 -3.008
103 1HH1 ARG 13 1HH1 ARG 13 -17.996 9.960 -1.856
104 2HH1 ARG 13 2HH1 ARG 13 -18.472 11.628 -1.900
105 1HH2 ARG 13 1HH2 ARG 13 -21.700 10.984 -3.060
106 2HH2 ARG 13 2HH2 ARG 13 -20.572 12.208 -2.584
107 H LEU 14 H LEU 14 -18.596 2.364 -2.576
108 HA LEU 14 HA LEU 14 -16.080 2.040 -1.232
109 1HB LEU 14 1HB LEU 14 -18.144 0.932 -0.472
110 2HB LEU 14 2HB LEU 14 -18.132 -0.040 -1.932
111 HG LEU 14 HG LEU 14 -17.264 -1.152 0.172
112 1HD1 LEU 14 1HD1 LEU 14 -16.772 -1.740 -2.304
113 2HD1 LEU 14 2HD1 LEU 14 -15.812 -2.488 -1.024
114 3HD1 LEU 14 3HD1 LEU 14 -15.156 -1.136 -1.940
115 1HD2 LEU 14 1HD2 LEU 14 -15.052 -0.660 0.924
116 2HD2 LEU 14 2HD2 LEU 14 -15.972 0.848 0.928
117 3HD2 LEU 14 3HD2 LEU 14 -14.820 0.524 -0.368
118 H ALA 15 H ALA 15 -17.504 0.432 -4.084
119 HA ALA 15 HA ALA 15 -15.204 -0.972 -4.808
120 1HB ALA 15 1HB ALA 15 -17.588 -1.224 -5.692
121 2HB ALA 15 2HB ALA 15 -16.264 -1.472 -6.828
122 3HB ALA 15 3HB ALA 15 -17.164 0.044 -6.840
123 H GLU 16 H GLU 16 -16.072 2.356 -5.320
124 HA GLU 16 HA GLU 16 -14.388 2.996 -7.456
125 1HB GLU 16 1HB GLU 16 -15.788 4.472 -5.332
126 2HB GLU 16 2HB GLU 16 -14.356 5.280 -5.948
127 1HG GLU 16 1HG GLU 16 -15.220 5.292 -8.164
128 2HG GLU 16 2HG GLU 16 -16.560 4.244 -7.708
129 H LEU 17 H LEU 17 -13.764 3.240 -3.956
130 HA LEU 17 HA LEU 17 -10.992 3.892 -4.380
131 1HB LEU 17 1HB LEU 17 -12.688 3.372 -1.964
132 2HB LEU 17 2HB LEU 17 -10.944 3.484 -1.824
133 HG LEU 17 HG LEU 17 -12.100 5.604 -1.288
134 1HD1 LEU 17 1HD1 LEU 17 -10.568 6.092 -3.792
135 2HD1 LEU 17 2HD1 LEU 17 -9.764 5.340 -2.416
136 3HD1 LEU 17 3HD1 LEU 17 -10.496 6.936 -2.252
137 1HD2 LEU 17 1HD2 LEU 17 -13.964 5.364 -2.864
138 2HD2 LEU 17 2HD2 LEU 17 -12.844 5.596 -4.208
139 3HD2 LEU 17 3HD2 LEU 17 -13.128 6.904 -3.060
140 H GLN 18 H GLN 18 -12.820 1.064 -3.292
141 HA GLN 18 HA GLN 18 -10.672 -0.584 -2.616
142 1HB GLN 18 1HB GLN 18 -13.504 -1.012 -3.392
143 2HB GLN 18 2HB GLN 18 -12.436 -2.404 -3.492
144 1HG GLN 18 1HG GLN 18 -11.760 -1.632 -1.072
145 2HG GLN 18 2HG GLN 18 -13.356 -0.880 -1.120
146 1HE2 GLN 18 1HE2 GLN 18 -12.560 -2.976 0.612
147 2HE2 GLN 18 2HE2 GLN 18 -13.532 -4.356 0.248
148 H ALA 19 H ALA 19 -11.824 0.424 -5.712
149 HA ALA 19 HA ALA 19 -10.552 -1.716 -7.172
150 1HB ALA 19 1HB ALA 19 -12.552 -0.760 -8.100
151 2HB ALA 19 2HB ALA 19 -11.196 -0.384 -9.168
152 3HB ALA 19 3HB ALA 19 -11.836 0.856 -8.088
153 H LYS 20 H LYS 20 -9.788 1.544 -6.180
154 HA LYS 20 HA LYS 20 -7.628 2.024 -7.920
155 1HB LYS 20 1HB LYS 20 -8.564 3.156 -5.332
156 2HB LYS 20 2HB LYS 20 -6.912 3.504 -5.820
157 1HG LYS 20 1HG LYS 20 -7.656 4.536 -7.844
158 2HG LYS 20 2HG LYS 20 -9.324 4.036 -7.540
159 1HD LYS 20 1HD LYS 20 -9.244 6.296 -6.904
160 2HD LYS 20 2HD LYS 20 -9.160 5.392 -5.388
161 1HE LYS 20 1HE LYS 20 -7.416 6.756 -4.972
162 2HE LYS 20 2HE LYS 20 -6.536 5.600 -5.964
163 1HZ LYS 20 1HZ LYS 20 -7.464 7.216 -7.844
164 2HZ LYS 20 2HZ LYS 20 -5.980 7.464 -7.076
165 3HZ LYS 20 3HZ LYS 20 -7.344 8.324 -6.572
166 H HIS 21 H HIS 21 -7.272 1.484 -4.424
167 HA HIS 21 HA HIS 21 -4.692 0.220 -4.928
168 1HB HIS 21 1HB HIS 21 -4.472 0.352 -2.420
169 2HB HIS 21 2HB HIS 21 -4.628 1.904 -3.240
170 HD1 HIS 21 HD1 HIS 21 -7.168 -0.564 -1.820
171 HD2 HIS 21 HD2 HIS 21 -6.236 3.484 -1.772
172 HE1 HIS 21 HE1 HIS 21 -8.928 0.516 -0.384
173 HE2 HIS 21 HE2 HIS 21 -8.296 2.948 -0.300
174 H GLY 22 H GLY 22 -4.176 -1.864 -4.340
175 1HA GLY 22 1HA GLY 22 -6.256 -3.516 -3.104
176 2HA GLY 22 2HA GLY 22 -5.688 -3.976 -4.704
177 H ASP 23 H ASP 23 -5.116 -5.992 -3.596
178 HA ASP 23 HA ASP 23 -2.984 -5.968 -1.684
179 1HB ASP 23 1HB ASP 23 -4.696 -7.988 -2.964
180 2HB ASP 23 2HB ASP 23 -3.056 -8.544 -2.608
181 HA PRO 24 HA PRO 24 -0.656 -7.868 -5.688
182 1HB PRO 24 1HB PRO 24 -2.100 -5.976 -7.504
183 2HB PRO 24 2HB PRO 24 -1.428 -7.580 -7.852
184 1HG PRO 24 1HG PRO 24 -4.048 -7.240 -7.476
185 2HG PRO 24 2HG PRO 24 -3.212 -8.684 -6.876
186 1HD PRO 24 1HD PRO 24 -4.272 -6.356 -5.372
187 2HD PRO 24 2HD PRO 24 -4.048 -8.036 -4.848
188 H GLY 25 H GLY 25 1.316 -6.980 -5.820
189 1HA GLY 25 1HA GLY 25 2.368 -4.796 -6.748
190 2HA GLY 25 2HA GLY 25 1.556 -4.088 -5.360
191 H ASP 26 H ASP 26 3.404 -7.104 -5.780
192 HA ASP 26 HA ASP 26 5.544 -6.112 -4.116
193 1HB ASP 26 1HB ASP 26 3.856 -6.844 -2.460
194 2HB ASP 26 2HB ASP 26 3.880 -8.456 -3.172
Start of MODEL 9
1 H SER 1 H SER 1 -36.048 -2.192 -2.576
2 HA SER 1 HA SER 1 -33.916 -2.668 -3.252
3 1HB SER 1 1HB SER 1 -33.828 0.036 -4.612
4 2HB SER 1 2HB SER 1 -32.636 -1.264 -4.728
5 HG SER 1 HG SER 1 -34.576 -0.864 -6.364
6 H ALA 2 H ALA 2 -35.036 -1.648 -0.936
7 HA ALA 2 HA ALA 2 -34.060 0.620 0.216
8 1HB ALA 2 1HB ALA 2 -35.468 -0.684 1.532
9 2HB ALA 2 2HB ALA 2 -33.908 -0.832 2.340
10 3HB ALA 2 3HB ALA 2 -34.492 -2.136 1.300
11 H ASP 3 H ASP 3 -32.456 -2.520 0.576
12 HA ASP 3 HA ASP 3 -29.936 -1.292 1.260
13 1HB ASP 3 1HB ASP 3 -30.648 -3.364 2.364
14 2HB ASP 3 2HB ASP 3 -30.724 -4.180 0.796
15 H GLU 4 H GLU 4 -31.388 -2.984 -1.432
16 HA GLU 4 HA GLU 4 -29.172 -3.460 -3.032
17 1HB GLU 4 1HB GLU 4 -31.144 -4.476 -3.700
18 2HB GLU 4 2HB GLU 4 -32.080 -3.000 -3.532
19 1HG GLU 4 1HG GLU 4 -31.016 -2.104 -5.548
20 2HG GLU 4 2HG GLU 4 -30.076 -3.588 -5.708
21 H GLU 5 H GLU 5 -31.408 -0.676 -3.244
22 HA GLU 5 HA GLU 5 -30.112 0.768 -5.208
23 1HB GLU 5 1HB GLU 5 -32.288 1.204 -3.732
24 2HB GLU 5 2HB GLU 5 -31.176 2.252 -2.864
25 1HG GLU 5 1HG GLU 5 -31.600 2.400 -5.832
26 2HG GLU 5 2HG GLU 5 -32.548 3.332 -4.676
27 H LEU 6 H LEU 6 -29.692 1.072 -1.696
28 HA LEU 6 HA LEU 6 -27.556 2.856 -1.720
29 1HB LEU 6 1HB LEU 6 -28.992 1.440 0.212
30 2HB LEU 6 2HB LEU 6 -27.340 0.856 0.368
31 HG LEU 6 HG LEU 6 -26.548 3.144 0.724
32 1HD1 LEU 6 1HD1 LEU 6 -29.228 4.284 1.076
33 2HD1 LEU 6 2HD1 LEU 6 -28.780 3.948 -0.596
34 3HD1 LEU 6 3HD1 LEU 6 -27.768 5.000 0.396
35 1HD2 LEU 6 1HD2 LEU 6 -27.792 1.588 2.524
36 2HD2 LEU 6 2HD2 LEU 6 -28.800 3.032 2.624
37 3HD2 LEU 6 3HD2 LEU 6 -27.064 3.144 2.920
38 H GLU 7 H GLU 7 -27.784 -0.592 -2.048
39 HA GLU 7 HA GLU 7 -25.148 -1.292 -1.652
40 1HB GLU 7 1HB GLU 7 -27.440 -2.596 -2.552
41 2HB GLU 7 2HB GLU 7 -26.308 -2.760 -3.888
42 1HG GLU 7 1HG GLU 7 -24.680 -3.788 -2.440
43 2HG GLU 7 2HG GLU 7 -25.716 -3.524 -1.040
44 H ALA 8 H ALA 8 -26.732 0.036 -4.484
45 HA ALA 8 HA ALA 8 -24.428 -0.112 -6.192
46 1HB ALA 8 1HB ALA 8 -25.948 0.364 -7.756
47 2HB ALA 8 2HB ALA 8 -26.268 1.928 -7.008
48 3HB ALA 8 3HB ALA 8 -27.172 0.504 -6.492
49 H LEU 9 H LEU 9 -25.804 2.116 -3.924
50 HA LEU 9 HA LEU 9 -24.248 4.392 -4.644
51 1HB LEU 9 1HB LEU 9 -26.440 4.544 -3.516
52 2HB LEU 9 2HB LEU 9 -25.752 3.768 -2.096
53 HG LEU 9 HG LEU 9 -24.524 5.656 -1.504
54 1HD1 LEU 9 1HD1 LEU 9 -24.660 6.308 -4.396
55 2HD1 LEU 9 2HD1 LEU 9 -23.284 6.336 -3.288
56 3HD1 LEU 9 3HD1 LEU 9 -24.476 7.636 -3.244
57 1HD2 LEU 9 1HD2 LEU 9 -27.092 5.912 -1.504
58 2HD2 LEU 9 2HD2 LEU 9 -26.824 7.036 -2.832
59 3HD2 LEU 9 3HD2 LEU 9 -26.100 7.348 -1.260
60 H ARG 10 H ARG 10 -24.108 1.980 -2.120
61 HA ARG 10 HA ARG 10 -21.736 3.036 -0.900
62 1HB ARG 10 1HB ARG 10 -22.596 0.220 -0.456
63 2HB ARG 10 2HB ARG 10 -22.032 1.412 0.704
64 1HG ARG 10 1HG ARG 10 -24.520 2.276 -0.396
65 2HG ARG 10 2HG ARG 10 -24.692 0.620 0.172
66 1HD ARG 10 1HD ARG 10 -23.224 2.260 2.048
67 2HD ARG 10 2HD ARG 10 -24.792 2.968 1.652
68 HE ARG 10 HE ARG 10 -25.832 1.216 2.728
69 1HH1 ARG 10 1HH1 ARG 10 -22.424 0.520 2.404
70 2HH1 ARG 10 2HH1 ARG 10 -22.480 -0.844 3.464
71 1HH2 ARG 10 1HH2 ARG 10 -25.900 -0.576 4.120
72 2HH2 ARG 10 2HH2 ARG 10 -24.448 -1.468 4.440
73 H ARG 11 H ARG 11 -22.464 0.720 -3.396
74 HA ARG 11 HA ARG 11 -19.760 -0.300 -3.396
75 1HB ARG 11 1HB ARG 11 -22.128 -0.744 -5.216
76 2HB ARG 11 2HB ARG 11 -20.540 -1.420 -5.544
77 1HG ARG 11 1HG ARG 11 -21.868 -1.920 -2.916
78 2HG ARG 11 2HG ARG 11 -22.328 -2.856 -4.340
79 1HD ARG 11 1HD ARG 11 -19.636 -3.016 -4.496
80 2HD ARG 11 2HD ARG 11 -19.844 -2.908 -2.748
81 HE ARG 11 HE ARG 11 -20.384 -5.156 -4.376
82 1HH1 ARG 11 1HH1 ARG 11 -21.620 -3.428 -1.608
83 2HH1 ARG 11 2HH1 ARG 11 -22.368 -4.828 -0.916
84 1HH2 ARG 11 1HH2 ARG 11 -21.368 -6.996 -3.464
85 2HH2 ARG 11 2HH2 ARG 11 -22.224 -6.852 -1.968
86 H GLN 12 H GLN 12 -21.676 2.128 -4.972
87 HA GLN 12 HA GLN 12 -19.896 2.548 -7.100
88 1HB GLN 12 1HB GLN 12 -22.160 4.048 -5.904
89 2HB GLN 12 2HB GLN 12 -21.016 4.984 -6.860
90 1HG GLN 12 1HG GLN 12 -21.568 3.920 -8.816
91 2HG GLN 12 2HG GLN 12 -22.128 2.464 -7.992
92 1HE2 GLN 12 1HE2 GLN 12 -24.128 2.316 -8.848
93 2HE2 GLN 12 2HE2 GLN 12 -25.368 3.496 -8.636
94 H ARG 13 H ARG 13 -20.336 4.164 -3.992
95 HA ARG 13 HA ARG 13 -17.988 5.784 -4.280
96 1HB ARG 13 1HB ARG 13 -20.256 5.772 -2.620
97 2HB ARG 13 2HB ARG 13 -18.884 5.520 -1.548
98 1HG ARG 13 1HG ARG 13 -17.920 7.536 -3.024
99 2HG ARG 13 2HG ARG 13 -19.648 7.888 -3.128
100 1HD ARG 13 1HD ARG 13 -19.216 9.000 -1.208
101 2HD ARG 13 2HD ARG 13 -19.472 7.400 -0.512
102 HE ARG 13 HE ARG 13 -16.824 7.424 -1.028
103 1HH1 ARG 13 1HH1 ARG 13 -18.932 9.620 0.672
104 2HH1 ARG 13 2HH1 ARG 13 -17.700 10.160 1.764
105 1HH2 ARG 13 1HH2 ARG 13 -15.200 8.132 0.404
106 2HH2 ARG 13 2HH2 ARG 13 -15.584 9.312 1.612
107 H LEU 14 H LEU 14 -18.788 2.704 -2.804
108 HA LEU 14 HA LEU 14 -16.324 2.528 -1.344
109 1HB LEU 14 1HB LEU 14 -18.380 1.480 -0.524
110 2HB LEU 14 2HB LEU 14 -18.376 0.416 -1.912
111 HG LEU 14 HG LEU 14 -16.688 -0.904 -1.096
112 1HD1 LEU 14 1HD1 LEU 14 -15.784 1.508 0.436
113 2HD1 LEU 14 2HD1 LEU 14 -14.936 0.636 -0.836
114 3HD1 LEU 14 3HD1 LEU 14 -15.144 -0.104 0.752
115 1HD2 LEU 14 1HD2 LEU 14 -17.016 -0.880 1.528
116 2HD2 LEU 14 2HD2 LEU 14 -18.272 -1.464 0.436
117 3HD2 LEU 14 3HD2 LEU 14 -18.368 0.168 1.100
118 H ALA 15 H ALA 15 -17.648 0.640 -4.068
119 HA ALA 15 HA ALA 15 -15.304 -0.800 -4.576
120 1HB ALA 15 1HB ALA 15 -17.644 -1.248 -5.452
121 2HB ALA 15 2HB ALA 15 -16.308 -1.516 -6.572
122 3HB ALA 15 3HB ALA 15 -17.288 -0.056 -6.704
123 H GLU 16 H GLU 16 -16.240 2.428 -5.472
124 HA GLU 16 HA GLU 16 -14.564 2.880 -7.652
125 1HB GLU 16 1HB GLU 16 -15.972 4.532 -5.672
126 2HB GLU 16 2HB GLU 16 -14.536 5.292 -6.344
127 1HG GLU 16 1HG GLU 16 -15.380 5.148 -8.552
128 2HG GLU 16 2HG GLU 16 -16.696 4.088 -8.048
129 H LEU 17 H LEU 17 -13.912 3.452 -4.196
130 HA LEU 17 HA LEU 17 -11.172 4.144 -4.656
131 1HB LEU 17 1HB LEU 17 -12.860 4.644 -2.640
132 2HB LEU 17 2HB LEU 17 -12.052 3.232 -1.976
133 HG LEU 17 HG LEU 17 -9.880 4.592 -2.652
134 1HD1 LEU 17 1HD1 LEU 17 -10.604 7.044 -1.876
135 2HD1 LEU 17 2HD1 LEU 17 -12.072 6.568 -2.732
136 3HD1 LEU 17 3HD1 LEU 17 -10.520 6.556 -3.564
137 1HD2 LEU 17 1HD2 LEU 17 -10.980 3.880 -0.348
138 2HD2 LEU 17 2HD2 LEU 17 -11.224 5.620 -0.216
139 3HD2 LEU 17 3HD2 LEU 17 -9.600 4.972 -0.424
140 H GLN 18 H GLN 18 -12.868 1.264 -3.500
141 HA GLN 18 HA GLN 18 -10.636 -0.276 -2.836
142 1HB GLN 18 1HB GLN 18 -13.280 -1.240 -3.940
143 2HB GLN 18 2HB GLN 18 -12.112 -2.212 -3.052
144 1HG GLN 18 1HG GLN 18 -12.876 0.160 -1.588
145 2HG GLN 18 2HG GLN 18 -14.268 -0.836 -2.004
146 1HE2 GLN 18 1HE2 GLN 18 -11.940 -0.316 0.256
147 2HE2 GLN 18 2HE2 GLN 18 -11.948 -1.856 1.040
148 H ALA 19 H ALA 19 -11.916 0.628 -5.912
149 HA ALA 19 HA ALA 19 -10.708 -1.500 -7.404
150 1HB ALA 19 1HB ALA 19 -11.652 1.156 -8.460
151 2HB ALA 19 2HB ALA 19 -12.724 -0.204 -8.136
152 3HB ALA 19 3HB ALA 19 -11.456 -0.352 -9.352
153 H LYS 20 H LYS 20 -9.768 1.700 -6.376
154 HA LYS 20 HA LYS 20 -7.552 1.996 -8.132
155 1HB LYS 20 1HB LYS 20 -8.544 3.368 -5.684
156 2HB LYS 20 2HB LYS 20 -6.856 3.612 -6.124
157 1HG LYS 20 1HG LYS 20 -7.416 4.624 -8.156
158 2HG LYS 20 2HG LYS 20 -9.072 4.024 -8.100
159 1HD LYS 20 1HD LYS 20 -9.772 5.700 -6.756
160 2HD LYS 20 2HD LYS 20 -8.268 5.724 -5.832
161 1HE LYS 20 1HE LYS 20 -7.940 7.684 -6.896
162 2HE LYS 20 2HE LYS 20 -7.392 6.648 -8.212
163 1HZ LYS 20 1HZ LYS 20 -10.248 7.264 -8.048
164 2HZ LYS 20 2HZ LYS 20 -9.272 7.012 -9.408
165 3HZ LYS 20 3HZ LYS 20 -9.204 8.484 -8.584
166 H HIS 21 H HIS 21 -7.360 1.720 -4.592
167 HA HIS 21 HA HIS 21 -4.716 0.796 -4.572
168 1HB HIS 21 1HB HIS 21 -6.932 0.948 -2.592
169 2HB HIS 21 2HB HIS 21 -5.584 -0.124 -2.212
170 HD1 HIS 21 HD1 HIS 21 -3.200 1.484 -3.112
171 HD2 HIS 21 HD2 HIS 21 -6.436 3.164 -1.124
172 HE1 HIS 21 HE1 HIS 21 -2.324 3.596 -2.072
173 HE2 HIS 21 HE2 HIS 21 -4.276 4.552 -0.800
174 H GLY 22 H GLY 22 -4.372 -1.404 -3.160
175 1HA GLY 22 1HA GLY 22 -5.984 -3.568 -4.268
176 2HA GLY 22 2HA GLY 22 -4.296 -3.524 -4.752
177 H ASP 23 H ASP 23 -2.928 -2.916 -2.548
178 HA ASP 23 HA ASP 23 -3.820 -4.768 -0.452
179 1HB ASP 23 1HB ASP 23 -1.244 -4.864 -2.000
180 2HB ASP 23 2HB ASP 23 -1.304 -5.452 -0.336
181 HA PRO 24 HA PRO 24 -2.432 -0.808 1.428
182 1HB PRO 24 1HB PRO 24 -4.216 -0.876 3.472
183 2HB PRO 24 2HB PRO 24 -4.620 -0.248 1.868
184 1HG PRO 24 1HG PRO 24 -5.196 -2.940 3.048
185 2HG PRO 24 2HG PRO 24 -6.256 -1.888 2.088
186 1HD PRO 24 1HD PRO 24 -4.956 -4.012 1.024
187 2HD PRO 24 2HD PRO 24 -5.300 -2.536 0.092
188 H GLY 25 H GLY 25 -3.016 -3.980 2.820
189 1HA GLY 25 1HA GLY 25 -1.684 -5.196 4.264
190 2HA GLY 25 2HA GLY 25 -0.560 -3.848 4.304
191 H ASP 26 H ASP 26 -3.892 -4.556 5.372
192 HA ASP 26 HA ASP 26 -3.312 -3.076 7.848
193 1HB ASP 26 1HB ASP 26 -5.856 -3.656 6.356
194 2HB ASP 26 2HB ASP 26 -5.900 -3.232 8.064
Start of MODEL 10
1 H SER 1 H SER 1 -36.084 -2.248 -2.604
2 HA SER 1 HA SER 1 -33.948 -2.708 -3.276
3 1HB SER 1 1HB SER 1 -33.852 0.036 -4.560
4 2HB SER 1 2HB SER 1 -32.652 -1.256 -4.696
5 HG SER 1 HG SER 1 -34.460 -2.500 -5.660
6 H ALA 2 H ALA 2 -35.080 -1.748 -0.936
7 HA ALA 2 HA ALA 2 -34.104 0.484 0.288
8 1HB ALA 2 1HB ALA 2 -33.968 -1.032 2.368
9 2HB ALA 2 2HB ALA 2 -34.552 -2.300 1.288
10 3HB ALA 2 3HB ALA 2 -35.524 -0.856 1.556
11 H ASP 3 H ASP 3 -32.512 -2.672 0.564
12 HA ASP 3 HA ASP 3 -29.992 -1.476 1.300
13 1HB ASP 3 1HB ASP 3 -30.720 -3.572 2.336
14 2HB ASP 3 2HB ASP 3 -30.784 -4.344 0.744
15 H GLU 4 H GLU 4 -31.432 -3.084 -1.452
16 HA GLU 4 HA GLU 4 -29.212 -3.520 -3.048
17 1HB GLU 4 1HB GLU 4 -31.180 -4.512 -3.760
18 2HB GLU 4 2HB GLU 4 -32.112 -3.036 -3.556
19 1HG GLU 4 1HG GLU 4 -31.036 -2.088 -5.536
20 2HG GLU 4 2HG GLU 4 -30.096 -3.564 -5.736
21 H GLU 5 H GLU 5 -31.436 -0.724 -3.196
22 HA GLU 5 HA GLU 5 -30.124 0.768 -5.108
23 1HB GLU 5 1HB GLU 5 -32.304 1.172 -3.636
24 2HB GLU 5 2HB GLU 5 -31.196 2.192 -2.732
25 1HG GLU 5 1HG GLU 5 -31.600 2.424 -5.696
26 2HG GLU 5 2HG GLU 5 -32.552 3.328 -4.520
27 H LEU 6 H LEU 6 -29.724 0.972 -1.588
28 HA LEU 6 HA LEU 6 -27.580 2.748 -1.544
29 1HB LEU 6 1HB LEU 6 -29.036 1.296 0.336
30 2HB LEU 6 2HB LEU 6 -27.392 0.680 0.484
31 HG LEU 6 HG LEU 6 -26.596 3.008 0.828
32 1HD1 LEU 6 1HD1 LEU 6 -28.464 4.632 1.524
33 2HD1 LEU 6 2HD1 LEU 6 -29.524 3.584 0.588
34 3HD1 LEU 6 3HD1 LEU 6 -28.164 4.388 -0.196
35 1HD2 LEU 6 1HD2 LEU 6 -28.052 3.232 3.072
36 2HD2 LEU 6 2HD2 LEU 6 -26.752 2.060 2.876
37 3HD2 LEU 6 3HD2 LEU 6 -28.428 1.564 2.640
38 H GLU 7 H GLU 7 -27.816 -0.688 -1.976
39 HA GLU 7 HA GLU 7 -25.188 -1.408 -1.580
40 1HB GLU 7 1HB GLU 7 -27.476 -2.680 -2.536
41 2HB GLU 7 2HB GLU 7 -26.340 -2.808 -3.868
42 1HG GLU 7 1HG GLU 7 -24.676 -3.724 -2.224
43 2HG GLU 7 2HG GLU 7 -25.992 -3.800 -1.056
44 H ALA 8 H ALA 8 -26.748 0.000 -4.388
45 HA ALA 8 HA ALA 8 -24.432 -0.104 -6.080
46 1HB ALA 8 1HB ALA 8 -27.176 0.540 -6.376
47 2HB ALA 8 2HB ALA 8 -25.948 0.404 -7.640
48 3HB ALA 8 3HB ALA 8 -26.252 1.960 -6.864
49 H LEU 9 H LEU 9 -25.816 2.068 -3.764
50 HA LEU 9 HA LEU 9 -24.248 4.352 -4.416
51 1HB LEU 9 1HB LEU 9 -26.448 4.492 -3.304
52 2HB LEU 9 2HB LEU 9 -25.780 3.672 -1.896
53 HG LEU 9 HG LEU 9 -24.544 5.540 -1.244
54 1HD1 LEU 9 1HD1 LEU 9 -24.476 7.564 -2.936
55 2HD1 LEU 9 2HD1 LEU 9 -24.652 6.268 -4.120
56 3HD1 LEU 9 3HD1 LEU 9 -23.288 6.256 -3.004
57 1HD2 LEU 9 1HD2 LEU 9 -26.168 7.064 -0.816
58 2HD2 LEU 9 2HD2 LEU 9 -27.192 5.796 -1.480
59 3HD2 LEU 9 3HD2 LEU 9 -26.692 7.144 -2.500
60 H ARG 10 H ARG 10 -24.120 1.852 -1.988
61 HA ARG 10 HA ARG 10 -21.756 2.880 -0.720
62 1HB ARG 10 1HB ARG 10 -22.648 0.060 -0.336
63 2HB ARG 10 2HB ARG 10 -22.068 1.220 0.852
64 1HG ARG 10 1HG ARG 10 -24.540 2.152 -0.236
65 2HG ARG 10 2HG ARG 10 -24.740 0.484 0.292
66 1HD ARG 10 1HD ARG 10 -23.260 2.176 2.164
67 2HD ARG 10 2HD ARG 10 -24.912 2.720 1.852
68 HE ARG 10 HE ARG 10 -25.216 0.080 2.336
69 1HH1 ARG 10 1HH1 ARG 10 -23.612 2.636 4.080
70 2HH1 ARG 10 2HH1 ARG 10 -23.888 1.924 5.632
71 1HH2 ARG 10 1HH2 ARG 10 -25.580 -0.864 4.376
72 2HH2 ARG 10 2HH2 ARG 10 -25.004 -0.064 5.800
73 H ARG 11 H ARG 11 -22.492 0.628 -3.268
74 HA ARG 11 HA ARG 11 -19.796 -0.424 -3.276
75 1HB ARG 11 1HB ARG 11 -22.160 -0.804 -5.120
76 2HB ARG 11 2HB ARG 11 -20.576 -1.488 -5.452
77 1HG ARG 11 1HG ARG 11 -21.908 -2.032 -2.836
78 2HG ARG 11 2HG ARG 11 -22.392 -2.924 -4.280
79 1HD ARG 11 1HD ARG 11 -19.728 -3.164 -4.488
80 2HD ARG 11 2HD ARG 11 -19.872 -3.028 -2.736
81 HE ARG 11 HE ARG 11 -21.728 -4.916 -3.728
82 1HH1 ARG 11 1HH1 ARG 11 -18.320 -4.500 -3.104
83 2HH1 ARG 11 2HH1 ARG 11 -18.032 -6.192 -2.864
84 1HH2 ARG 11 1HH2 ARG 11 -21.352 -7.140 -3.412
85 2HH2 ARG 11 2HH2 ARG 11 -19.752 -7.688 -3.040
86 H GLN 12 H GLN 12 -21.692 2.044 -4.824
87 HA GLN 12 HA GLN 12 -19.884 2.500 -6.924
88 1HB GLN 12 1HB GLN 12 -22.116 3.380 -7.116
89 2HB GLN 12 2HB GLN 12 -21.932 4.308 -5.636
90 1HG GLN 12 1HG GLN 12 -20.556 5.880 -6.644
91 2HG GLN 12 2HG GLN 12 -20.156 4.816 -7.988
92 1HE2 GLN 12 1HE2 GLN 12 -21.624 4.564 -9.676
93 2HE2 GLN 12 2HE2 GLN 12 -22.928 5.668 -9.928
94 H ARG 13 H ARG 13 -20.356 4.056 -3.788
95 HA ARG 13 HA ARG 13 -18.008 5.680 -4.020
96 1HB ARG 13 1HB ARG 13 -20.284 5.632 -2.384
97 2HB ARG 13 2HB ARG 13 -18.924 5.356 -1.308
98 1HG ARG 13 1HG ARG 13 -17.936 7.404 -2.704
99 2HG ARG 13 2HG ARG 13 -19.660 7.756 -2.860
100 1HD ARG 13 1HD ARG 13 -19.940 7.912 -0.528
101 2HD ARG 13 2HD ARG 13 -18.384 7.148 -0.208
102 HE ARG 13 HE ARG 13 -17.408 9.200 -0.388
103 1HH1 ARG 13 1HH1 ARG 13 -20.524 9.336 -1.944
104 2HH1 ARG 13 2HH1 ARG 13 -20.440 11.044 -2.236
105 1HH2 ARG 13 1HH2 ARG 13 -17.296 11.440 -0.768
106 2HH2 ARG 13 2HH2 ARG 13 -18.608 12.240 -1.568
107 H LEU 14 H LEU 14 -18.812 2.568 -2.628
108 HA LEU 14 HA LEU 14 -16.360 2.360 -1.152
109 1HB LEU 14 1HB LEU 14 -18.412 1.288 -0.368
110 2HB LEU 14 2HB LEU 14 -18.408 0.260 -1.784
111 HG LEU 14 HG LEU 14 -16.716 -1.080 -1.000
112 1HD1 LEU 14 1HD1 LEU 14 -15.820 1.304 0.572
113 2HD1 LEU 14 2HD1 LEU 14 -14.956 0.420 -0.684
114 3HD1 LEU 14 3HD1 LEU 14 -15.204 -0.312 0.904
115 1HD2 LEU 14 1HD2 LEU 14 -18.792 -0.768 0.624
116 2HD2 LEU 14 2HD2 LEU 14 -17.516 -0.264 1.732
117 3HD2 LEU 14 3HD2 LEU 14 -17.460 -1.864 0.992
118 H ALA 15 H ALA 15 -17.660 0.540 -3.928
119 HA ALA 15 HA ALA 15 -15.312 -0.884 -4.456
120 1HB ALA 15 1HB ALA 15 -17.288 -0.084 -6.572
121 2HB ALA 15 2HB ALA 15 -17.632 -1.324 -5.364
122 3HB ALA 15 3HB ALA 15 -16.296 -1.536 -6.492
123 H GLU 16 H GLU 16 -16.240 2.364 -5.276
124 HA GLU 16 HA GLU 16 -14.536 2.868 -7.424
125 1HB GLU 16 1HB GLU 16 -15.976 4.476 -5.428
126 2HB GLU 16 2HB GLU 16 -14.540 5.256 -6.080
127 1HG GLU 16 1HG GLU 16 -15.380 5.012 -8.328
128 2HG GLU 16 2HG GLU 16 -16.776 4.116 -7.740
129 H LEU 17 H LEU 17 -13.940 3.376 -3.944
130 HA LEU 17 HA LEU 17 -11.232 4.156 -4.300
131 1HB LEU 17 1HB LEU 17 -12.956 4.392 -2.272
132 2HB LEU 17 2HB LEU 17 -12.096 2.964 -1.728
133 HG LEU 17 HG LEU 17 -11.080 4.880 -0.716
134 1HD1 LEU 17 1HD1 LEU 17 -9.688 2.988 -1.952
135 2HD1 LEU 17 2HD1 LEU 17 -8.912 4.340 -1.124
136 3HD1 LEU 17 3HD1 LEU 17 -9.116 4.376 -2.876
137 1HD2 LEU 17 1HD2 LEU 17 -10.664 6.856 -1.724
138 2HD2 LEU 17 2HD2 LEU 17 -11.904 6.296 -2.844
139 3HD2 LEU 17 3HD2 LEU 17 -10.196 6.108 -3.244
140 H GLN 18 H GLN 18 -12.776 1.124 -3.304
141 HA GLN 18 HA GLN 18 -10.452 -0.356 -2.840
142 1HB GLN 18 1HB GLN 18 -13.148 -1.296 -3.836
143 2HB GLN 18 2HB GLN 18 -11.880 -2.352 -3.220
144 1HG GLN 18 1HG GLN 18 -12.000 -1.156 -1.060
145 2HG GLN 18 2HG GLN 18 -13.364 -0.232 -1.688
146 1HE2 GLN 18 1HE2 GLN 18 -15.144 -1.652 -2.620
147 2HE2 GLN 18 2HE2 GLN 18 -15.588 -3.032 -1.680
148 H ALA 19 H ALA 19 -11.868 0.712 -5.792
149 HA ALA 19 HA ALA 19 -10.156 -1.120 -7.332
150 1HB ALA 19 1HB ALA 19 -12.616 0.424 -8.120
151 2HB ALA 19 2HB ALA 19 -12.424 -1.324 -8.012
152 3HB ALA 19 3HB ALA 19 -11.584 -0.424 -9.276
153 H LYS 20 H LYS 20 -9.188 1.256 -5.956
154 HA LYS 20 HA LYS 20 -8.728 3.244 -8.004
155 1HB LYS 20 1HB LYS 20 -8.984 3.736 -5.528
156 2HB LYS 20 2HB LYS 20 -7.380 3.052 -5.312
157 1HG LYS 20 1HG LYS 20 -6.776 4.796 -7.204
158 2HG LYS 20 2HG LYS 20 -8.204 5.612 -6.560
159 1HD LYS 20 1HD LYS 20 -6.912 4.968 -4.268
160 2HD LYS 20 2HD LYS 20 -5.544 5.212 -5.360
161 1HE LYS 20 1HE LYS 20 -7.788 7.200 -5.096
162 2HE LYS 20 2HE LYS 20 -6.352 7.244 -4.072
163 1HZ LYS 20 1HZ LYS 20 -6.172 7.240 -7.028
164 2HZ LYS 20 2HZ LYS 20 -4.984 7.676 -5.908
165 3HZ LYS 20 3HZ LYS 20 -6.328 8.676 -6.140
166 H HIS 21 H HIS 21 -6.472 1.388 -5.956
167 HA HIS 21 HA HIS 21 -4.336 1.724 -7.840
168 1HB HIS 21 1HB HIS 21 -4.112 1.520 -5.304
169 2HB HIS 21 2HB HIS 21 -4.376 -0.208 -5.524
170 HD1 HIS 21 HD1 HIS 21 -2.144 -1.228 -5.160
171 HD2 HIS 21 HD2 HIS 21 -1.940 2.128 -7.596
172 HE1 HIS 21 HE1 HIS 21 0.248 -1.100 -5.928
173 HE2 HIS 21 HE2 HIS 21 0.328 0.892 -7.468
174 H GLY 22 H GLY 22 -3.152 -0.056 -8.824
175 1HA GLY 22 1HA GLY 22 -3.724 -2.668 -9.048
176 2HA GLY 22 2HA GLY 22 -4.988 -1.952 -10.028
177 H ASP 23 H ASP 23 -2.172 -3.460 -10.292
178 HA ASP 23 HA ASP 23 -1.684 -2.436 -12.936
179 1HB ASP 23 1HB ASP 23 0.116 -1.764 -10.664
180 2HB ASP 23 2HB ASP 23 0.884 -2.240 -12.184
181 HA PRO 24 HA PRO 24 -0.840 -6.944 -12.420
182 1HB PRO 24 1HB PRO 24 -1.944 -7.668 -14.792
183 2HB PRO 24 2HB PRO 24 -2.896 -7.452 -13.312
184 1HG PRO 24 1HG PRO 24 -2.496 -5.568 -15.608
185 2HG PRO 24 2HG PRO 24 -3.988 -5.964 -14.732
186 1HD PRO 24 1HD PRO 24 -2.568 -3.708 -14.252
187 2HD PRO 24 2HD PRO 24 -3.480 -4.552 -12.980
188 H GLY 25 H GLY 25 -0.364 -4.812 -15.200
189 1HA GLY 25 1HA GLY 25 2.328 -5.816 -15.528
190 2HA GLY 25 2HA GLY 25 1.248 -6.188 -16.868
191 H ASP 26 H ASP 26 2.948 -3.672 -15.152
192 HA ASP 26 HA ASP 26 2.908 -2.016 -17.516
193 1HB ASP 26 1HB ASP 26 0.848 -1.548 -15.848
194 2HB ASP 26 2HB ASP 26 2.064 -0.532 -15.084
Start of MODEL 11
1 H SER 1 H SER 1 -36.072 -0.432 -3.296
2 HA SER 1 HA SER 1 -34.044 -2.548 -3.368
3 1HB SER 1 1HB SER 1 -33.832 0.164 -4.692
4 2HB SER 1 2HB SER 1 -32.712 -1.200 -4.820
5 HG SER 1 HG SER 1 -34.888 -0.652 -6.300
6 H ALA 2 H ALA 2 -35.220 -1.520 -1.084
7 HA ALA 2 HA ALA 2 -34.252 0.732 0.112
8 1HB ALA 2 1HB ALA 2 -35.716 -0.560 1.376
9 2HB ALA 2 2HB ALA 2 -34.184 -0.736 2.232
10 3HB ALA 2 3HB ALA 2 -34.752 -2.024 1.168
11 H ASP 3 H ASP 3 -32.700 -2.432 0.504
12 HA ASP 3 HA ASP 3 -30.188 -1.244 1.272
13 1HB ASP 3 1HB ASP 3 -30.960 -3.308 2.340
14 2HB ASP 3 2HB ASP 3 -30.996 -4.116 0.768
15 H GLU 4 H GLU 4 -31.576 -2.908 -1.472
16 HA GLU 4 HA GLU 4 -29.324 -3.412 -3.004
17 1HB GLU 4 1HB GLU 4 -31.292 -4.396 -3.736
18 2HB GLU 4 2HB GLU 4 -32.204 -2.900 -3.596
19 1HG GLU 4 1HG GLU 4 -31.052 -2.028 -5.576
20 2HG GLU 4 2HG GLU 4 -30.148 -3.532 -5.708
21 H GLU 5 H GLU 5 -31.508 -0.592 -3.276
22 HA GLU 5 HA GLU 5 -30.140 0.840 -5.192
23 1HB GLU 5 1HB GLU 5 -32.348 1.300 -3.780
24 2HB GLU 5 2HB GLU 5 -31.244 2.328 -2.876
25 1HG GLU 5 1HG GLU 5 -31.580 2.500 -5.852
26 2HG GLU 5 2HG GLU 5 -32.544 3.440 -4.716
27 H LEU 6 H LEU 6 -29.816 1.124 -1.672
28 HA LEU 6 HA LEU 6 -27.656 2.876 -1.616
29 1HB LEU 6 1HB LEU 6 -29.136 1.340 0.248
30 2HB LEU 6 2HB LEU 6 -27.440 0.932 0.480
31 HG LEU 6 HG LEU 6 -28.740 3.648 0.732
32 1HD1 LEU 6 1HD1 LEU 6 -26.984 2.488 2.804
33 2HD1 LEU 6 2HD1 LEU 6 -28.556 1.724 2.580
34 3HD1 LEU 6 3HD1 LEU 6 -28.460 3.440 2.964
35 1HD2 LEU 6 1HD2 LEU 6 -26.828 4.560 0.056
36 2HD2 LEU 6 2HD2 LEU 6 -26.024 2.992 -0.016
37 3HD2 LEU 6 3HD2 LEU 6 -26.084 3.884 1.504
38 H GLU 7 H GLU 7 -27.920 -0.568 -1.960
39 HA GLU 7 HA GLU 7 -25.304 -1.308 -1.504
40 1HB GLU 7 1HB GLU 7 -27.596 -2.572 -2.468
41 2HB GLU 7 2HB GLU 7 -26.424 -2.772 -3.760
42 1HG GLU 7 1HG GLU 7 -24.876 -3.468 -1.720
43 2HG GLU 7 2HG GLU 7 -26.440 -3.888 -1.024
44 H ALA 8 H ALA 8 -26.792 0.076 -4.356
45 HA ALA 8 HA ALA 8 -24.468 -0.132 -6.024
46 1HB ALA 8 1HB ALA 8 -27.144 0.484 -6.432
47 2HB ALA 8 2HB ALA 8 -25.860 0.556 -7.640
48 3HB ALA 8 3HB ALA 8 -26.304 2.000 -6.736
49 H LEU 9 H LEU 9 -25.804 2.096 -3.748
50 HA LEU 9 HA LEU 9 -24.156 4.324 -4.364
51 1HB LEU 9 1HB LEU 9 -26.348 4.544 -3.268
52 2HB LEU 9 2HB LEU 9 -25.740 3.664 -1.872
53 HG LEU 9 HG LEU 9 -24.432 5.460 -1.160
54 1HD1 LEU 9 1HD1 LEU 9 -24.460 6.240 -4.024
55 2HD1 LEU 9 2HD1 LEU 9 -23.116 6.160 -2.884
56 3HD1 LEU 9 3HD1 LEU 9 -24.248 7.512 -2.816
57 1HD2 LEU 9 1HD2 LEU 9 -26.372 6.396 -0.552
58 2HD2 LEU 9 2HD2 LEU 9 -27.104 6.148 -2.140
59 3HD2 LEU 9 3HD2 LEU 9 -26.052 7.536 -1.860
60 H ARG 10 H ARG 10 -24.052 1.692 -2.092
61 HA ARG 10 HA ARG 10 -21.708 2.644 -0.724
62 1HB ARG 10 1HB ARG 10 -22.604 -0.200 -0.572
63 2HB ARG 10 2HB ARG 10 -21.992 0.848 0.700
64 1HG ARG 10 1HG ARG 10 -24.500 1.824 -0.328
65 2HG ARG 10 2HG ARG 10 -24.656 0.164 0.224
66 1HD ARG 10 1HD ARG 10 -23.120 1.700 2.096
67 2HD ARG 10 2HD ARG 10 -24.632 2.532 1.724
68 HE ARG 10 HE ARG 10 -25.788 0.872 2.808
69 1HH1 ARG 10 1HH1 ARG 10 -22.484 -0.152 2.332
70 2HH1 ARG 10 2HH1 ARG 10 -22.644 -1.548 3.344
71 1HH2 ARG 10 1HH2 ARG 10 -25.996 -0.964 4.136
72 2HH2 ARG 10 2HH2 ARG 10 -24.632 -2.008 4.368
73 H ARG 11 H ARG 11 -22.436 0.528 -3.396
74 HA ARG 11 HA ARG 11 -19.720 -0.452 -3.508
75 1HB ARG 11 1HB ARG 11 -22.228 -0.936 -5.036
76 2HB ARG 11 2HB ARG 11 -20.712 -1.192 -5.880
77 1HG ARG 11 1HG ARG 11 -21.580 -3.256 -4.896
78 2HG ARG 11 2HG ARG 11 -20.012 -2.804 -4.216
79 1HD ARG 11 1HD ARG 11 -21.388 -1.652 -2.372
80 2HD ARG 11 2HD ARG 11 -22.736 -2.624 -2.968
81 HE ARG 11 HE ARG 11 -21.776 -4.480 -2.024
82 1HH1 ARG 11 1HH1 ARG 11 -19.424 -1.904 -2.112
83 2HH1 ARG 11 2HH1 ARG 11 -18.268 -2.756 -1.144
84 1HH2 ARG 11 1HH2 ARG 11 -20.256 -5.600 -0.748
85 2HH2 ARG 11 2HH2 ARG 11 -18.744 -4.856 -0.368
86 H GLN 12 H GLN 12 -21.708 2.036 -4.900
87 HA GLN 12 HA GLN 12 -19.968 2.644 -7.008
88 1HB GLN 12 1HB GLN 12 -22.228 3.500 -7.060
89 2HB GLN 12 2HB GLN 12 -21.980 4.364 -5.552
90 1HG GLN 12 1HG GLN 12 -20.904 6.080 -6.552
91 2HG GLN 12 2HG GLN 12 -20.156 5.048 -7.768
92 1HE2 GLN 12 1HE2 GLN 12 -20.788 5.540 -9.732
93 2HE2 GLN 12 2HE2 GLN 12 -22.364 6.060 -10.200
94 H ARG 13 H ARG 13 -20.364 4.004 -3.776
95 HA ARG 13 HA ARG 13 -18.040 5.672 -3.972
96 1HB ARG 13 1HB ARG 13 -20.016 5.008 -1.832
97 2HB ARG 13 2HB ARG 13 -18.496 5.768 -1.388
98 1HG ARG 13 1HG ARG 13 -19.232 7.392 -3.380
99 2HG ARG 13 2HG ARG 13 -20.820 6.872 -2.816
100 1HD ARG 13 1HD ARG 13 -20.048 7.476 -0.492
101 2HD ARG 13 2HD ARG 13 -18.652 8.240 -1.244
102 HE ARG 13 HE ARG 13 -21.172 9.136 -2.300
103 1HH1 ARG 13 1HH1 ARG 13 -18.792 9.608 0.208
104 2HH1 ARG 13 2HH1 ARG 13 -19.240 11.256 0.496
105 1HH2 ARG 13 1HH2 ARG 13 -21.764 11.300 -1.920
106 2HH2 ARG 13 2HH2 ARG 13 -20.928 12.216 -0.712
107 H LEU 14 H LEU 14 -18.792 2.488 -2.664
108 HA LEU 14 HA LEU 14 -16.272 2.252 -1.316
109 1HB LEU 14 1HB LEU 14 -18.324 1.172 -0.488
110 2HB LEU 14 2HB LEU 14 -18.312 0.128 -1.896
111 HG LEU 14 HG LEU 14 -17.428 -0.868 0.260
112 1HD1 LEU 14 1HD1 LEU 14 -16.936 -1.584 -2.184
113 2HD1 LEU 14 2HD1 LEU 14 -15.972 -2.256 -0.868
114 3HD1 LEU 14 3HD1 LEU 14 -15.324 -0.948 -1.860
115 1HD2 LEU 14 1HD2 LEU 14 -15.100 0.944 -0.364
116 2HD2 LEU 14 2HD2 LEU 14 -15.108 -0.348 0.840
117 3HD2 LEU 14 3HD2 LEU 14 -16.160 1.052 1.040
118 H ALA 15 H ALA 15 -17.692 0.488 -4.072
119 HA ALA 15 HA ALA 15 -15.388 -0.936 -4.732
120 1HB ALA 15 1HB ALA 15 -17.304 -0.056 -6.848
121 2HB ALA 15 2HB ALA 15 -17.812 -1.188 -5.596
122 3HB ALA 15 3HB ALA 15 -16.472 -1.600 -6.664
123 H GLU 16 H GLU 16 -16.280 2.352 -5.412
124 HA GLU 16 HA GLU 16 -14.608 2.888 -7.588
125 1HB GLU 16 1HB GLU 16 -16.008 4.464 -5.536
126 2HB GLU 16 2HB GLU 16 -14.580 5.248 -6.200
127 1HG GLU 16 1HG GLU 16 -15.468 5.016 -8.444
128 2HG GLU 16 2HG GLU 16 -16.880 4.164 -7.816
129 H LEU 17 H LEU 17 -13.968 3.320 -4.108
130 HA LEU 17 HA LEU 17 -11.204 3.960 -4.580
131 1HB LEU 17 1HB LEU 17 -12.792 4.708 -2.636
132 2HB LEU 17 2HB LEU 17 -12.292 3.196 -1.900
133 HG LEU 17 HG LEU 17 -10.912 4.952 -1.032
134 1HD1 LEU 17 1HD1 LEU 17 -9.904 2.700 -1.776
135 2HD1 LEU 17 2HD1 LEU 17 -8.808 4.024 -1.384
136 3HD1 LEU 17 3HD1 LEU 17 -9.152 3.636 -3.064
137 1HD2 LEU 17 1HD2 LEU 17 -10.816 5.788 -3.860
138 2HD2 LEU 17 2HD2 LEU 17 -9.348 6.024 -2.916
139 3HD2 LEU 17 3HD2 LEU 17 -10.864 6.760 -2.392
140 H GLN 18 H GLN 18 -13.008 1.188 -3.332
141 HA GLN 18 HA GLN 18 -10.852 -0.408 -2.580
142 1HB GLN 18 1HB GLN 18 -13.684 -0.892 -3.316
143 2HB GLN 18 2HB GLN 18 -12.608 -2.284 -3.348
144 1HG GLN 18 1HG GLN 18 -11.924 -1.376 -0.976
145 2HG GLN 18 2HG GLN 18 -13.524 -0.640 -1.056
146 1HE2 GLN 18 1HE2 GLN 18 -13.596 -2.180 0.880
147 2HE2 GLN 18 2HE2 GLN 18 -14.216 -3.764 0.560
148 H ALA 19 H ALA 19 -12.024 0.428 -5.716
149 HA ALA 19 HA ALA 19 -10.472 -1.712 -6.980
150 1HB ALA 19 1HB ALA 19 -12.656 -1.524 -7.888
151 2HB ALA 19 2HB ALA 19 -11.552 -0.852 -9.088
152 3HB ALA 19 3HB ALA 19 -12.508 0.224 -8.064
153 H LYS 20 H LYS 20 -9.064 0.364 -5.640
154 HA LYS 20 HA LYS 20 -8.088 2.184 -7.668
155 1HB LYS 20 1HB LYS 20 -8.360 2.784 -5.224
156 2HB LYS 20 2HB LYS 20 -6.976 1.756 -4.896
157 1HG LYS 20 1HG LYS 20 -5.932 3.300 -6.820
158 2HG LYS 20 2HG LYS 20 -7.104 4.424 -6.136
159 1HD LYS 20 1HD LYS 20 -5.496 2.932 -4.176
160 2HD LYS 20 2HD LYS 20 -4.592 4.064 -5.184
161 1HE LYS 20 1HE LYS 20 -5.212 5.564 -3.620
162 2HE LYS 20 2HE LYS 20 -6.728 5.584 -4.520
163 1HZ LYS 20 1HZ LYS 20 -7.580 5.136 -2.504
164 2HZ LYS 20 2HZ LYS 20 -6.144 4.468 -1.908
165 3HZ LYS 20 3HZ LYS 20 -7.164 3.540 -2.884
166 H HIS 21 H HIS 21 -6.400 -0.068 -5.476
167 HA HIS 21 HA HIS 21 -4.420 -0.512 -7.600
168 1HB HIS 21 1HB HIS 21 -3.004 -1.420 -5.708
169 2HB HIS 21 2HB HIS 21 -3.368 0.304 -5.620
170 HD1 HIS 21 HD1 HIS 21 -5.328 0.964 -3.896
171 HD2 HIS 21 HD2 HIS 21 -3.740 -2.856 -3.508
172 HE1 HIS 21 HE1 HIS 21 -6.024 0.176 -1.612
173 HE2 HIS 21 HE2 HIS 21 -4.976 -2.104 -1.368
174 H GLY 22 H GLY 22 -3.300 -2.824 -7.100
175 1HA GLY 22 1HA GLY 22 -4.292 -5.080 -6.236
176 2HA GLY 22 2HA GLY 22 -5.496 -4.736 -7.472
177 H ASP 23 H ASP 23 -1.972 -4.268 -7.504
178 HA ASP 23 HA ASP 23 -1.656 -6.428 -9.420
179 1HB ASP 23 1HB ASP 23 -1.460 -3.536 -10.116
180 2HB ASP 23 2HB ASP 23 -0.264 -4.628 -10.820
181 HA PRO 24 HA PRO 24 2.316 -6.836 -7.564
182 1HB PRO 24 1HB PRO 24 3.912 -7.556 -9.636
183 2HB PRO 24 2HB PRO 24 2.696 -8.640 -8.936
184 1HG PRO 24 1HG PRO 24 2.536 -6.948 -11.404
185 2HG PRO 24 2HG PRO 24 2.008 -8.620 -11.160
186 1HD PRO 24 1HD PRO 24 0.292 -6.528 -11.116
187 2HD PRO 24 2HD PRO 24 0.048 -7.984 -10.124
188 H GLY 25 H GLY 25 2.668 -4.644 -6.968
189 1HA GLY 25 1HA GLY 25 4.940 -3.460 -8.280
190 2HA GLY 25 2HA GLY 25 3.472 -2.516 -8.456
191 H ASP 26 H ASP 26 2.300 -2.912 -5.972
192 HA ASP 26 HA ASP 26 3.636 -0.984 -4.416
193 1HB ASP 26 1HB ASP 26 1.272 -2.756 -4.052
194 2HB ASP 26 2HB ASP 26 1.984 -2.056 -2.600
Start of MODEL 12
1 H SER 1 H SER 1 -36.232 -2.584 -3.768
2 HA SER 1 HA SER 1 -34.044 -2.320 -3.192
3 1HB SER 1 1HB SER 1 -34.760 0.292 -4.544
4 2HB SER 1 2HB SER 1 -33.300 -0.676 -4.760
5 HG SER 1 HG SER 1 -34.808 -0.956 -6.472
6 H ALA 2 H ALA 2 -34.484 -2.016 -0.816
7 HA ALA 2 HA ALA 2 -34.072 0.688 0.176
8 1HB ALA 2 1HB ALA 2 -34.668 -1.976 1.384
9 2HB ALA 2 2HB ALA 2 -35.532 -0.448 1.564
10 3HB ALA 2 3HB ALA 2 -34.000 -0.696 2.400
11 H ASP 3 H ASP 3 -32.540 -2.472 0.576
12 HA ASP 3 HA ASP 3 -30.024 -1.336 1.416
13 1HB ASP 3 1HB ASP 3 -30.788 -3.440 2.392
14 2HB ASP 3 2HB ASP 3 -30.896 -4.164 0.784
15 H GLU 4 H GLU 4 -31.456 -2.856 -1.376
16 HA GLU 4 HA GLU 4 -29.252 -3.300 -2.988
17 1HB GLU 4 1HB GLU 4 -31.252 -4.204 -3.736
18 2HB GLU 4 2HB GLU 4 -32.144 -2.712 -3.460
19 1HG GLU 4 1HG GLU 4 -31.056 -1.708 -5.412
20 2HG GLU 4 2HG GLU 4 -30.156 -3.200 -5.680
21 H GLU 5 H GLU 5 -31.392 -0.440 -3.016
22 HA GLU 5 HA GLU 5 -30.060 1.096 -4.880
23 1HB GLU 5 1HB GLU 5 -32.204 1.484 -3.336
24 2HB GLU 5 2HB GLU 5 -31.052 2.464 -2.444
25 1HG GLU 5 1HG GLU 5 -31.548 2.780 -5.388
26 2HG GLU 5 2HG GLU 5 -32.428 3.680 -4.156
27 H LEU 6 H LEU 6 -29.616 1.140 -1.360
28 HA LEU 6 HA LEU 6 -27.420 2.852 -1.272
29 1HB LEU 6 1HB LEU 6 -28.900 1.356 0.568
30 2HB LEU 6 2HB LEU 6 -27.264 0.712 0.676
31 HG LEU 6 HG LEU 6 -26.380 2.876 1.260
32 1HD1 LEU 6 1HD1 LEU 6 -27.552 4.444 0.020
33 2HD1 LEU 6 2HD1 LEU 6 -28.120 4.744 1.660
34 3HD1 LEU 6 3HD1 LEU 6 -29.120 3.832 0.536
35 1HD2 LEU 6 1HD2 LEU 6 -28.576 1.664 2.780
36 2HD2 LEU 6 2HD2 LEU 6 -28.212 3.332 3.220
37 3HD2 LEU 6 3HD2 LEU 6 -26.944 2.108 3.288
38 H GLU 7 H GLU 7 -27.764 -0.556 -1.836
39 HA GLU 7 HA GLU 7 -25.152 -1.368 -1.496
40 1HB GLU 7 1HB GLU 7 -27.428 -2.608 -2.320
41 2HB GLU 7 2HB GLU 7 -26.528 -2.560 -3.824
42 1HG GLU 7 1HG GLU 7 -24.992 -4.052 -3.120
43 2HG GLU 7 2HG GLU 7 -25.044 -3.484 -1.456
44 H ALA 8 H ALA 8 -26.700 0.200 -4.220
45 HA ALA 8 HA ALA 8 -24.408 0.092 -5.948
46 1HB ALA 8 1HB ALA 8 -25.904 0.744 -7.472
47 2HB ALA 8 2HB ALA 8 -26.188 2.248 -6.600
48 3HB ALA 8 3HB ALA 8 -27.124 0.808 -6.200
49 H LEU 9 H LEU 9 -25.700 2.204 -3.528
50 HA LEU 9 HA LEU 9 -24.084 4.472 -4.088
51 1HB LEU 9 1HB LEU 9 -26.252 4.600 -2.908
52 2HB LEU 9 2HB LEU 9 -25.564 3.692 -1.568
53 HG LEU 9 HG LEU 9 -24.272 5.492 -0.848
54 1HD1 LEU 9 1HD1 LEU 9 -24.192 7.600 -2.436
55 2HD1 LEU 9 2HD1 LEU 9 -24.432 6.376 -3.680
56 3HD1 LEU 9 3HD1 LEU 9 -23.040 6.272 -2.604
57 1HD2 LEU 9 1HD2 LEU 9 -26.896 6.444 -1.932
58 2HD2 LEU 9 2HD2 LEU 9 -25.824 7.536 -1.056
59 3HD2 LEU 9 3HD2 LEU 9 -26.444 6.084 -0.268
60 H ARG 10 H ARG 10 -23.956 1.836 -1.808
61 HA ARG 10 HA ARG 10 -21.524 2.732 -0.556
62 1HB ARG 10 1HB ARG 10 -22.460 -0.076 -0.268
63 2HB ARG 10 2HB ARG 10 -21.860 1.036 0.952
64 1HG ARG 10 1HG ARG 10 -24.324 2.052 -0.028
65 2HG ARG 10 2HG ARG 10 -24.556 0.352 0.364
66 1HD ARG 10 1HD ARG 10 -23.028 1.768 2.384
67 2HD ARG 10 2HD ARG 10 -24.600 2.516 2.084
68 HE ARG 10 HE ARG 10 -25.632 0.656 2.972
69 1HH1 ARG 10 1HH1 ARG 10 -22.220 0.024 2.584
70 2HH1 ARG 10 2HH1 ARG 10 -22.264 -1.436 3.516
71 1HH2 ARG 10 1HH2 ARG 10 -25.684 -1.264 4.192
72 2HH2 ARG 10 2HH2 ARG 10 -24.228 -2.168 4.424
73 H ARG 11 H ARG 11 -22.416 0.640 -3.188
74 HA ARG 11 HA ARG 11 -19.760 -0.500 -3.332
75 1HB ARG 11 1HB ARG 11 -22.196 -0.704 -5.108
76 2HB ARG 11 2HB ARG 11 -20.648 -1.416 -5.540
77 1HG ARG 11 1HG ARG 11 -22.080 -2.064 -2.984
78 2HG ARG 11 2HG ARG 11 -22.324 -2.964 -4.480
79 1HD ARG 11 1HD ARG 11 -19.804 -3.288 -4.512
80 2HD ARG 11 2HD ARG 11 -19.808 -2.688 -2.856
81 HE ARG 11 HE ARG 11 -20.588 -4.720 -2.184
82 1HH1 ARG 11 1HH1 ARG 11 -21.220 -4.380 -5.596
83 2HH1 ARG 11 2HH1 ARG 11 -21.804 -6.004 -5.776
84 1HH2 ARG 11 1HH2 ARG 11 -21.352 -6.852 -2.420
85 2HH2 ARG 11 2HH2 ARG 11 -21.880 -7.404 -3.972
86 H GLN 12 H GLN 12 -21.616 2.096 -4.712
87 HA GLN 12 HA GLN 12 -19.860 2.596 -6.840
88 1HB GLN 12 1HB GLN 12 -22.056 3.584 -6.892
89 2HB GLN 12 2HB GLN 12 -21.764 4.424 -5.376
90 1HG GLN 12 1HG GLN 12 -20.052 5.792 -6.472
91 2HG GLN 12 2HG GLN 12 -20.372 4.956 -7.992
92 1HE2 GLN 12 1HE2 GLN 12 -20.988 6.828 -9.044
93 2HE2 GLN 12 2HE2 GLN 12 -22.480 7.632 -8.716
94 H ARG 13 H ARG 13 -20.144 4.000 -3.612
95 HA ARG 13 HA ARG 13 -17.728 5.528 -3.848
96 1HB ARG 13 1HB ARG 13 -19.664 4.956 -1.628
97 2HB ARG 13 2HB ARG 13 -18.124 5.732 -1.288
98 1HG ARG 13 1HG ARG 13 -19.700 6.900 -3.484
99 2HG ARG 13 2HG ARG 13 -20.368 7.076 -1.864
100 1HD ARG 13 1HD ARG 13 -18.664 8.416 -1.156
101 2HD ARG 13 2HD ARG 13 -17.488 7.668 -2.232
102 HE ARG 13 HE ARG 13 -17.980 9.256 -3.796
103 1HH1 ARG 13 1HH1 ARG 13 -20.560 9.176 -1.452
104 2HH1 ARG 13 2HH1 ARG 13 -21.368 10.560 -2.108
105 1HH2 ARG 13 1HH2 ARG 13 -19.040 11.076 -4.660
106 2HH2 ARG 13 2HH2 ARG 13 -20.504 11.640 -3.928
107 H LEU 14 H LEU 14 -18.636 2.396 -2.540
108 HA LEU 14 HA LEU 14 -16.136 2.016 -1.188
109 1HB LEU 14 1HB LEU 14 -18.236 1.048 -0.360
110 2HB LEU 14 2HB LEU 14 -18.296 0.016 -1.776
111 HG LEU 14 HG LEU 14 -17.460 -1.052 0.364
112 1HD1 LEU 14 1HD1 LEU 14 -15.288 -1.344 -1.612
113 2HD1 LEU 14 2HD1 LEU 14 -16.928 -1.624 -2.196
114 3HD1 LEU 14 3HD1 LEU 14 -16.300 -2.564 -0.844
115 1HD2 LEU 14 1HD2 LEU 14 -15.096 -0.680 0.912
116 2HD2 LEU 14 2HD2 LEU 14 -16.068 0.772 1.160
117 3HD2 LEU 14 3HD2 LEU 14 -15.036 0.628 -0.268
118 H ALA 15 H ALA 15 -17.640 0.340 -3.960
119 HA ALA 15 HA ALA 15 -15.508 -1.276 -4.632
120 1HB ALA 15 1HB ALA 15 -17.164 -0.016 -6.780
121 2HB ALA 15 2HB ALA 15 -17.876 -1.152 -5.640
122 3HB ALA 15 3HB ALA 15 -16.540 -1.660 -6.668
123 H GLU 16 H GLU 16 -16.172 1.996 -5.864
124 HA GLU 16 HA GLU 16 -13.940 2.192 -7.536
125 1HB GLU 16 1HB GLU 16 -16.060 3.804 -6.944
126 2HB GLU 16 2HB GLU 16 -14.732 4.692 -6.208
127 1HG GLU 16 1HG GLU 16 -13.540 4.656 -8.348
128 2HG GLU 16 2HG GLU 16 -14.904 3.808 -9.080
129 H LEU 17 H LEU 17 -14.340 3.344 -4.188
130 HA LEU 17 HA LEU 17 -11.728 4.308 -3.872
131 1HB LEU 17 1HB LEU 17 -13.936 3.536 -2.052
132 2HB LEU 17 2HB LEU 17 -12.336 3.660 -1.352
133 HG LEU 17 HG LEU 17 -13.696 5.728 -1.128
134 1HD1 LEU 17 1HD1 LEU 17 -11.080 5.708 -2.572
135 2HD1 LEU 17 2HD1 LEU 17 -11.432 6.128 -0.896
136 3HD1 LEU 17 3HD1 LEU 17 -11.880 7.232 -2.196
137 1HD2 LEU 17 1HD2 LEU 17 -13.232 6.480 -3.932
138 2HD2 LEU 17 2HD2 LEU 17 -14.592 6.840 -2.868
139 3HD2 LEU 17 3HD2 LEU 17 -14.488 5.268 -3.668
140 H GLN 18 H GLN 18 -13.140 1.176 -2.968
141 HA GLN 18 HA GLN 18 -10.812 0.040 -1.908
142 1HB GLN 18 1HB GLN 18 -13.388 -1.004 -2.960
143 2HB GLN 18 2HB GLN 18 -12.064 -2.148 -2.788
144 1HG GLN 18 1HG GLN 18 -11.888 -1.096 -0.396
145 2HG GLN 18 2HG GLN 18 -13.564 -0.652 -0.704
146 1HE2 GLN 18 1HE2 GLN 18 -11.816 -2.828 0.832
147 2HE2 GLN 18 2HE2 GLN 18 -12.808 -4.232 0.672
148 H ALA 19 H ALA 19 -11.696 0.716 -5.156
149 HA ALA 19 HA ALA 19 -9.968 -1.260 -6.348
150 1HB ALA 19 1HB ALA 19 -11.684 -0.808 -7.784
151 2HB ALA 19 2HB ALA 19 -10.468 0.300 -8.412
152 3HB ALA 19 3HB ALA 19 -11.744 0.900 -7.356
153 H LYS 20 H LYS 20 -9.900 2.252 -5.856
154 HA LYS 20 HA LYS 20 -7.472 2.760 -7.156
155 1HB LYS 20 1HB LYS 20 -9.344 4.324 -6.028
156 2HB LYS 20 2HB LYS 20 -8.128 4.380 -4.760
157 1HG LYS 20 1HG LYS 20 -6.548 5.388 -6.152
158 2HG LYS 20 2HG LYS 20 -7.428 4.944 -7.620
159 1HD LYS 20 1HD LYS 20 -9.300 6.436 -6.412
160 2HD LYS 20 2HD LYS 20 -7.852 7.196 -5.748
161 1HE LYS 20 1HE LYS 20 -7.148 7.960 -7.788
162 2HE LYS 20 2HE LYS 20 -7.952 6.660 -8.672
163 1HZ LYS 20 1HZ LYS 20 -10.012 7.724 -8.492
164 2HZ LYS 20 2HZ LYS 20 -8.932 8.968 -8.880
165 3HZ LYS 20 3HZ LYS 20 -9.476 8.788 -7.288
166 H HIS 21 H HIS 21 -8.188 1.724 -3.872
167 HA HIS 21 HA HIS 21 -5.308 1.648 -3.284
168 1HB HIS 21 1HB HIS 21 -7.252 2.748 -1.780
169 2HB HIS 21 2HB HIS 21 -7.276 1.104 -1.136
170 HD1 HIS 21 HD1 HIS 21 -4.852 0.232 -0.256
171 HD2 HIS 21 HD2 HIS 21 -5.316 4.332 -0.724
172 HE1 HIS 21 HE1 HIS 21 -2.996 1.272 1.084
173 HE2 HIS 21 HE2 HIS 21 -3.348 3.756 0.852
174 H GLY 22 H GLY 22 -4.352 -0.228 -2.448
175 1HA GLY 22 1HA GLY 22 -5.984 -2.676 -2.564
176 2HA GLY 22 2HA GLY 22 -4.488 -2.580 -3.484
177 H ASP 23 H ASP 23 -5.252 -4.412 -1.328
178 HA ASP 23 HA ASP 23 -4.284 -5.432 0.460
179 1HB ASP 23 1HB ASP 23 -2.196 -4.572 -1.060
180 2HB ASP 23 2HB ASP 23 -1.844 -3.760 0.464
181 HA PRO 24 HA PRO 24 -5.360 -3.108 4.036
182 1HB PRO 24 1HB PRO 24 -3.060 -4.464 5.360
183 2HB PRO 24 2HB PRO 24 -4.756 -4.360 5.868
184 1HG PRO 24 1HG PRO 24 -3.788 -6.608 4.820
185 2HG PRO 24 2HG PRO 24 -5.424 -6.048 4.424
186 1HD PRO 24 1HD PRO 24 -2.932 -5.936 2.784
187 2HD PRO 24 2HD PRO 24 -4.612 -6.208 2.272
188 H GLY 25 H GLY 25 -1.996 -3.244 3.032
189 1HA GLY 25 1HA GLY 25 -0.708 -1.276 2.668
190 2HA GLY 25 2HA GLY 25 -1.700 -0.444 3.856
191 H ASP 26 H ASP 26 -0.360 -3.620 4.424
192 HA ASP 26 HA ASP 26 1.316 -2.460 6.540
193 1HB ASP 26 1HB ASP 26 0.044 -5.172 6.208
194 2HB ASP 26 2HB ASP 26 1.336 -4.888 7.376
Start of MODEL 13
1 H SER 1 H SER 1 -36.324 -2.544 -3.648
2 HA SER 1 HA SER 1 -34.016 -2.528 -2.916
3 1HB SER 1 1HB SER 1 -35.148 -0.228 -4.528
4 2HB SER 1 2HB SER 1 -33.420 -0.584 -4.444
5 HG SER 1 HG SER 1 -34.024 -1.740 -6.152
6 H ALA 2 H ALA 2 -34.348 -2.096 -0.544
7 HA ALA 2 HA ALA 2 -33.916 0.664 0.276
8 1HB ALA 2 1HB ALA 2 -35.304 -0.400 1.788
9 2HB ALA 2 2HB ALA 2 -33.732 -0.588 2.564
10 3HB ALA 2 3HB ALA 2 -34.432 -1.928 1.660
11 H ASP 3 H ASP 3 -32.340 -2.460 0.780
12 HA ASP 3 HA ASP 3 -29.796 -1.264 1.440
13 1HB ASP 3 1HB ASP 3 -30.500 -3.316 2.568
14 2HB ASP 3 2HB ASP 3 -30.676 -4.128 1.008
15 H GLU 4 H GLU 4 -31.340 -2.944 -1.196
16 HA GLU 4 HA GLU 4 -29.212 -3.468 -2.880
17 1HB GLU 4 1HB GLU 4 -31.232 -4.424 -3.484
18 2HB GLU 4 2HB GLU 4 -32.124 -2.928 -3.248
19 1HG GLU 4 1HG GLU 4 -31.144 -2.020 -5.296
20 2HG GLU 4 2HG GLU 4 -30.236 -3.516 -5.524
21 H GLU 5 H GLU 5 -31.372 -0.624 -2.968
22 HA GLU 5 HA GLU 5 -30.136 0.812 -4.972
23 1HB GLU 5 1HB GLU 5 -32.216 1.272 -3.360
24 2HB GLU 5 2HB GLU 5 -31.032 2.308 -2.576
25 1HG GLU 5 1HG GLU 5 -31.664 2.456 -5.508
26 2HG GLU 5 2HG GLU 5 -32.492 3.420 -4.288
27 H LEU 6 H LEU 6 -29.540 1.056 -1.484
28 HA LEU 6 HA LEU 6 -27.356 2.784 -1.588
29 1HB LEU 6 1HB LEU 6 -28.728 1.320 0.384
30 2HB LEU 6 2HB LEU 6 -27.048 0.796 0.476
31 HG LEU 6 HG LEU 6 -26.424 3.248 0.640
32 1HD1 LEU 6 1HD1 LEU 6 -28.256 4.440 -0.132
33 2HD1 LEU 6 2HD1 LEU 6 -28.380 4.620 1.620
34 3HD1 LEU 6 3HD1 LEU 6 -29.404 3.456 0.776
35 1HD2 LEU 6 1HD2 LEU 6 -27.000 1.436 2.552
36 2HD2 LEU 6 2HD2 LEU 6 -28.136 2.716 2.976
37 3HD2 LEU 6 3HD2 LEU 6 -26.412 3.068 2.888
38 H GLU 7 H GLU 7 -27.696 -0.652 -1.944
39 HA GLU 7 HA GLU 7 -25.060 -1.420 -1.680
40 1HB GLU 7 1HB GLU 7 -27.356 -2.728 -2.332
41 2HB GLU 7 2HB GLU 7 -26.524 -2.756 -3.876
42 1HG GLU 7 1HG GLU 7 -24.720 -3.976 -3.004
43 2HG GLU 7 2HG GLU 7 -25.196 -3.648 -1.344
44 H ALA 8 H ALA 8 -26.748 -0.032 -4.420
45 HA ALA 8 HA ALA 8 -24.528 -0.208 -6.236
46 1HB ALA 8 1HB ALA 8 -27.276 0.488 -6.388
47 2HB ALA 8 2HB ALA 8 -26.132 0.264 -7.712
48 3HB ALA 8 3HB ALA 8 -26.344 1.856 -6.988
49 H LEU 9 H LEU 9 -25.752 2.044 -3.896
50 HA LEU 9 HA LEU 9 -24.152 4.276 -4.700
51 1HB LEU 9 1HB LEU 9 -26.320 4.512 -3.536
52 2HB LEU 9 2HB LEU 9 -25.628 3.744 -2.116
53 HG LEU 9 HG LEU 9 -24.320 5.604 -1.588
54 1HD1 LEU 9 1HD1 LEU 9 -23.120 6.232 -3.416
55 2HD1 LEU 9 2HD1 LEU 9 -24.288 7.552 -3.368
56 3HD1 LEU 9 3HD1 LEU 9 -24.520 6.208 -4.484
57 1HD2 LEU 9 1HD2 LEU 9 -25.904 7.148 -1.136
58 2HD2 LEU 9 2HD2 LEU 9 -26.984 5.904 -1.764
59 3HD2 LEU 9 3HD2 LEU 9 -26.460 7.228 -2.808
60 H ARG 10 H ARG 10 -24.136 2.096 -1.956
61 HA ARG 10 HA ARG 10 -21.728 3.028 -0.804
62 1HB ARG 10 1HB ARG 10 -22.664 0.224 -0.384
63 2HB ARG 10 2HB ARG 10 -22.032 1.368 0.784
64 1HG ARG 10 1HG ARG 10 -24.532 2.300 -0.316
65 2HG ARG 10 2HG ARG 10 -24.712 0.688 0.364
66 1HD ARG 10 1HD ARG 10 -23.152 2.504 2.032
67 2HD ARG 10 2HD ARG 10 -24.792 3.076 1.716
68 HE ARG 10 HE ARG 10 -24.964 0.400 2.452
69 1HH1 ARG 10 1HH1 ARG 10 -23.992 3.428 3.880
70 2HH1 ARG 10 2HH1 ARG 10 -24.420 2.952 5.488
71 1HH2 ARG 10 1HH2 ARG 10 -25.528 -0.228 4.564
72 2HH2 ARG 10 2HH2 ARG 10 -25.296 0.876 5.876
73 H ARG 11 H ARG 11 -22.440 0.656 -3.264
74 HA ARG 11 HA ARG 11 -19.740 -0.372 -3.216
75 1HB ARG 11 1HB ARG 11 -21.748 -1.756 -3.864
76 2HB ARG 11 2HB ARG 11 -21.860 -0.792 -5.328
77 1HG ARG 11 1HG ARG 11 -20.728 -2.768 -5.928
78 2HG ARG 11 2HG ARG 11 -19.500 -1.508 -5.840
79 1HD ARG 11 1HD ARG 11 -18.784 -3.628 -4.792
80 2HD ARG 11 2HD ARG 11 -18.804 -2.276 -3.660
81 HE ARG 11 HE ARG 11 -20.440 -3.344 -2.468
82 1HH1 ARG 11 1HH1 ARG 11 -20.180 -4.840 -5.608
83 2HH1 ARG 11 2HH1 ARG 11 -21.248 -6.144 -5.212
84 1HH2 ARG 11 1HH2 ARG 11 -21.840 -5.060 -1.948
85 2HH2 ARG 11 2HH2 ARG 11 -22.192 -6.272 -3.132
86 H GLN 12 H GLN 12 -21.632 2.016 -4.884
87 HA GLN 12 HA GLN 12 -19.820 2.384 -6.996
88 1HB GLN 12 1HB GLN 12 -22.128 3.872 -5.892
89 2HB GLN 12 2HB GLN 12 -20.960 4.832 -6.792
90 1HG GLN 12 1HG GLN 12 -21.768 2.340 -8.104
91 2HG GLN 12 2HG GLN 12 -23.060 3.516 -7.888
92 1HE2 GLN 12 1HE2 GLN 12 -21.156 2.472 -10.144
93 2HE2 GLN 12 2HE2 GLN 12 -20.756 3.928 -10.988
94 H ARG 13 H ARG 13 -20.324 4.064 -3.936
95 HA ARG 13 HA ARG 13 -17.980 5.688 -4.204
96 1HB ARG 13 1HB ARG 13 -20.280 5.700 -2.592
97 2HB ARG 13 2HB ARG 13 -18.932 5.472 -1.488
98 1HG ARG 13 1HG ARG 13 -18.912 7.636 -3.560
99 2HG ARG 13 2HG ARG 13 -19.680 7.856 -1.988
100 1HD ARG 13 1HD ARG 13 -16.800 7.088 -2.452
101 2HD ARG 13 2HD ARG 13 -17.376 8.700 -2.024
102 HE ARG 13 HE ARG 13 -17.052 6.452 -0.264
103 1HH1 ARG 13 1HH1 ARG 13 -18.720 9.472 -0.768
104 2HH1 ARG 13 2HH1 ARG 13 -19.032 9.724 0.916
105 1HH2 ARG 13 1HH2 ARG 13 -17.460 6.780 1.952
106 2HH2 ARG 13 2HH2 ARG 13 -18.316 8.196 2.460
107 H LEU 14 H LEU 14 -18.788 2.620 -2.700
108 HA LEU 14 HA LEU 14 -16.352 2.496 -1.184
109 1HB LEU 14 1HB LEU 14 -18.396 1.436 -0.372
110 2HB LEU 14 2HB LEU 14 -18.384 0.364 -1.756
111 HG LEU 14 HG LEU 14 -16.680 -0.940 -0.932
112 1HD1 LEU 14 1HD1 LEU 14 -15.200 -0.108 0.976
113 2HD1 LEU 14 2HD1 LEU 14 -15.828 1.492 0.596
114 3HD1 LEU 14 3HD1 LEU 14 -14.940 0.584 -0.624
115 1HD2 LEU 14 1HD2 LEU 14 -17.416 -1.668 1.100
116 2HD2 LEU 14 2HD2 LEU 14 -18.776 -0.648 0.644
117 3HD2 LEU 14 3HD2 LEU 14 -17.556 -0.040 1.760
118 H ALA 15 H ALA 15 -17.604 0.560 -3.904
119 HA ALA 15 HA ALA 15 -15.240 -0.868 -4.352
120 1HB ALA 15 1HB ALA 15 -17.204 -0.156 -6.512
121 2HB ALA 15 2HB ALA 15 -17.544 -1.360 -5.268
122 3HB ALA 15 3HB ALA 15 -16.196 -1.600 -6.376
123 H GLU 16 H GLU 16 -16.180 2.344 -5.300
124 HA GLU 16 HA GLU 16 -14.456 2.780 -7.444
125 1HB GLU 16 1HB GLU 16 -15.932 4.448 -5.532
126 2HB GLU 16 2HB GLU 16 -14.496 5.212 -6.188
127 1HG GLU 16 1HG GLU 16 -15.288 5.028 -8.404
128 2HG GLU 16 2HG GLU 16 -16.588 3.936 -7.920
129 H LEU 17 H LEU 17 -13.908 3.420 -3.984
130 HA LEU 17 HA LEU 17 -11.200 4.208 -4.332
131 1HB LEU 17 1HB LEU 17 -12.928 3.520 -2.000
132 2HB LEU 17 2HB LEU 17 -11.192 3.608 -1.768
133 HG LEU 17 HG LEU 17 -11.428 5.956 -2.888
134 1HD1 LEU 17 1HD1 LEU 17 -13.628 6.992 -2.220
135 2HD1 LEU 17 2HD1 LEU 17 -14.240 5.348 -2.016
136 3HD1 LEU 17 3HD1 LEU 17 -13.684 5.888 -3.596
137 1HD2 LEU 17 1HD2 LEU 17 -11.820 6.956 -0.684
138 2HD2 LEU 17 2HD2 LEU 17 -10.704 5.596 -0.604
139 3HD2 LEU 17 3HD2 LEU 17 -12.376 5.392 -0.084
140 H GLN 18 H GLN 18 -12.732 1.196 -3.248
141 HA GLN 18 HA GLN 18 -10.400 -0.244 -2.704
142 1HB GLN 18 1HB GLN 18 -13.072 -1.248 -3.700
143 2HB GLN 18 2HB GLN 18 -11.804 -2.264 -3.024
144 1HG GLN 18 1HG GLN 18 -11.972 -0.968 -0.916
145 2HG GLN 18 2HG GLN 18 -13.348 -0.108 -1.608
146 1HE2 GLN 18 1HE2 GLN 18 -14.684 -2.104 -2.884
147 2HE2 GLN 18 2HE2 GLN 18 -15.260 -3.260 -1.736
148 H ALA 19 H ALA 19 -11.792 0.708 -5.708
149 HA ALA 19 HA ALA 19 -10.200 -1.244 -7.204
150 1HB ALA 19 1HB ALA 19 -12.516 -1.004 -7.888
151 2HB ALA 19 2HB ALA 19 -11.436 -0.448 -9.168
152 3HB ALA 19 3HB ALA 19 -12.276 0.724 -8.152
153 H LYS 20 H LYS 20 -8.828 0.804 -5.772
154 HA LYS 20 HA LYS 20 -7.936 2.648 -7.860
155 1HB LYS 20 1HB LYS 20 -8.500 3.612 -5.676
156 2HB LYS 20 2HB LYS 20 -7.300 2.584 -4.908
157 1HG LYS 20 1HG LYS 20 -5.744 3.796 -6.724
158 2HG LYS 20 2HG LYS 20 -6.956 5.056 -6.480
159 1HD LYS 20 1HD LYS 20 -5.936 3.792 -4.024
160 2HD LYS 20 2HD LYS 20 -4.756 4.736 -4.936
161 1HE LYS 20 1HE LYS 20 -6.812 6.448 -4.992
162 2HE LYS 20 2HE LYS 20 -7.184 5.608 -3.484
163 1HZ LYS 20 1HZ LYS 20 -4.596 6.080 -3.144
164 2HZ LYS 20 2HZ LYS 20 -5.804 7.160 -2.652
165 3HZ LYS 20 3HZ LYS 20 -4.988 7.408 -4.112
166 H HIS 21 H HIS 21 -6.860 -0.028 -5.892
167 HA HIS 21 HA HIS 21 -4.128 0.196 -6.880
168 1HB HIS 21 1HB HIS 21 -5.352 -1.860 -5.028
169 2HB HIS 21 2HB HIS 21 -3.632 -1.660 -5.372
170 HD1 HIS 21 HD1 HIS 21 -3.968 -1.472 -2.560
171 HD2 HIS 21 HD2 HIS 21 -4.888 1.804 -4.940
172 HE1 HIS 21 HE1 HIS 21 -3.904 0.516 -1.020
173 HE2 HIS 21 HE2 HIS 21 -4.380 2.496 -2.500
174 H GLY 22 H GLY 22 -7.008 -1.732 -7.336
175 1HA GLY 22 1HA GLY 22 -5.900 -3.936 -8.660
176 2HA GLY 22 2HA GLY 22 -7.540 -3.344 -8.876
177 H ASP 23 H ASP 23 -6.080 -4.476 -10.956
178 HA ASP 23 HA ASP 23 -4.696 -2.656 -12.576
179 1HB ASP 23 1HB ASP 23 -6.032 -5.276 -12.972
180 2HB ASP 23 2HB ASP 23 -5.764 -4.308 -14.424
181 HA PRO 24 HA PRO 24 -8.804 -1.712 -14.884
182 1HB PRO 24 1HB PRO 24 -11.124 -2.704 -13.904
183 2HB PRO 24 2HB PRO 24 -10.104 -3.608 -15.036
184 1HG PRO 24 1HG PRO 24 -10.308 -3.848 -12.056
185 2HG PRO 24 2HG PRO 24 -10.220 -5.128 -13.280
186 1HD PRO 24 1HD PRO 24 -8.072 -4.336 -11.820
187 2HD PRO 24 2HD PRO 24 -7.936 -4.956 -13.480
188 H GLY 25 H GLY 25 -8.976 0.388 -14.384
189 1HA GLY 25 1HA GLY 25 -10.828 1.292 -12.436
190 2HA GLY 25 2HA GLY 25 -9.188 1.492 -11.844
191 H ASP 26 H ASP 26 -10.156 1.772 -15.212
192 HA ASP 26 HA ASP 26 -8.828 4.216 -15.592
193 1HB ASP 26 1HB ASP 26 -10.864 2.684 -17.180
194 2HB ASP 26 2HB ASP 26 -10.368 4.292 -17.700
Start of MODEL 14
1 H SER 1 H SER 1 -36.292 -1.680 -4.256
2 HA SER 1 HA SER 1 -34.208 -2.492 -3.216
3 1HB SER 1 1HB SER 1 -34.028 0.184 -4.616
4 2HB SER 1 2HB SER 1 -32.892 -1.172 -4.720
5 HG SER 1 HG SER 1 -34.072 -1.440 -6.496
6 H ALA 2 H ALA 2 -35.328 -1.400 -0.928
7 HA ALA 2 HA ALA 2 -34.312 0.868 0.188
8 1HB ALA 2 1HB ALA 2 -35.760 -0.380 1.516
9 2HB ALA 2 2HB ALA 2 -34.208 -0.548 2.340
10 3HB ALA 2 3HB ALA 2 -34.812 -1.856 1.320
11 H ASP 3 H ASP 3 -32.780 -2.300 0.624
12 HA ASP 3 HA ASP 3 -30.240 -1.112 1.304
13 1HB ASP 3 1HB ASP 3 -31.004 -3.144 2.440
14 2HB ASP 3 2HB ASP 3 -31.084 -3.992 0.888
15 H GLU 4 H GLU 4 -31.704 -2.828 -1.368
16 HA GLU 4 HA GLU 4 -29.488 -3.384 -2.940
17 1HB GLU 4 1HB GLU 4 -31.480 -4.372 -3.604
18 2HB GLU 4 2HB GLU 4 -32.380 -2.864 -3.476
19 1HG GLU 4 1HG GLU 4 -31.272 -2.044 -5.500
20 2HG GLU 4 2HG GLU 4 -30.372 -3.556 -5.620
21 H GLU 5 H GLU 5 -31.660 -0.556 -3.228
22 HA GLU 5 HA GLU 5 -30.320 0.820 -5.204
23 1HB GLU 5 1HB GLU 5 -32.492 1.332 -3.756
24 2HB GLU 5 2HB GLU 5 -31.364 2.372 -2.900
25 1HG GLU 5 1HG GLU 5 -31.764 2.476 -5.872
26 2HG GLU 5 2HG GLU 5 -32.696 3.452 -4.740
27 H LEU 6 H LEU 6 -29.916 1.184 -1.700
28 HA LEU 6 HA LEU 6 -27.744 2.920 -1.736
29 1HB LEU 6 1HB LEU 6 -29.220 1.532 0.204
30 2HB LEU 6 2HB LEU 6 -27.560 0.972 0.392
31 HG LEU 6 HG LEU 6 -28.524 3.832 0.552
32 1HD1 LEU 6 1HD1 LEU 6 -27.448 1.924 2.620
33 2HD1 LEU 6 2HD1 LEU 6 -29.080 2.580 2.528
34 3HD1 LEU 6 3HD1 LEU 6 -27.724 3.648 2.884
35 1HD2 LEU 6 1HD2 LEU 6 -26.004 2.900 -0.244
36 2HD2 LEU 6 2HD2 LEU 6 -25.824 3.388 1.440
37 3HD2 LEU 6 3HD2 LEU 6 -26.436 4.536 0.252
38 H GLU 7 H GLU 7 -28.040 -0.532 -1.992
39 HA GLU 7 HA GLU 7 -25.428 -1.284 -1.572
40 1HB GLU 7 1HB GLU 7 -27.744 -2.552 -2.460
41 2HB GLU 7 2HB GLU 7 -26.604 -2.776 -3.780
42 1HG GLU 7 1HG GLU 7 -24.976 -3.532 -1.916
43 2HG GLU 7 2HG GLU 7 -26.444 -3.744 -0.964
44 H ALA 8 H ALA 8 -26.948 0.024 -4.452
45 HA ALA 8 HA ALA 8 -24.680 -0.248 -6.164
46 1HB ALA 8 1HB ALA 8 -26.080 0.532 -7.732
47 2HB ALA 8 2HB ALA 8 -26.428 1.984 -6.800
48 3HB ALA 8 3HB ALA 8 -27.332 0.504 -6.492
49 H LEU 9 H LEU 9 -25.840 2.028 -3.844
50 HA LEU 9 HA LEU 9 -24.040 4.148 -4.496
51 1HB LEU 9 1HB LEU 9 -26.220 4.596 -3.496
52 2HB LEU 9 2HB LEU 9 -25.788 3.648 -2.080
53 HG LEU 9 HG LEU 9 -24.312 5.284 -1.288
54 1HD1 LEU 9 1HD1 LEU 9 -22.892 5.952 -2.916
55 2HD1 LEU 9 2HD1 LEU 9 -23.960 7.356 -2.936
56 3HD1 LEU 9 3HD1 LEU 9 -24.164 6.072 -4.132
57 1HD2 LEU 9 1HD2 LEU 9 -26.704 5.936 -1.160
58 2HD2 LEU 9 2HD2 LEU 9 -26.496 6.864 -2.644
59 3HD2 LEU 9 3HD2 LEU 9 -25.604 7.316 -1.192
60 H ARG 10 H ARG 10 -24.176 1.528 -2.208
61 HA ARG 10 HA ARG 10 -21.900 2.332 -0.676
62 1HB ARG 10 1HB ARG 10 -22.900 -0.492 -0.880
63 2HB ARG 10 2HB ARG 10 -22.180 0.316 0.500
64 1HG ARG 10 1HG ARG 10 -24.752 1.372 -0.508
65 2HG ARG 10 2HG ARG 10 -24.796 -0.172 0.328
66 1HD ARG 10 1HD ARG 10 -24.028 2.536 1.328
67 2HD ARG 10 2HD ARG 10 -25.164 1.380 2.012
68 HE ARG 10 HE ARG 10 -23.360 0.184 2.940
69 1HH1 ARG 10 1HH1 ARG 10 -22.296 3.052 1.248
70 2HH1 ARG 10 2HH1 ARG 10 -20.752 3.084 2.028
71 1HH2 ARG 10 1HH2 ARG 10 -21.328 0.232 3.956
72 2HH2 ARG 10 2HH2 ARG 10 -20.204 1.484 3.560
73 H ARG 11 H ARG 11 -22.448 0.324 -3.492
74 HA ARG 11 HA ARG 11 -19.688 -0.536 -3.532
75 1HB ARG 11 1HB ARG 11 -21.788 -0.824 -5.688
76 2HB ARG 11 2HB ARG 11 -20.260 -1.688 -5.584
77 1HG ARG 11 1HG ARG 11 -22.148 -1.956 -3.316
78 2HG ARG 11 2HG ARG 11 -22.552 -2.772 -4.828
79 1HD ARG 11 1HD ARG 11 -20.364 -3.880 -4.804
80 2HD ARG 11 2HD ARG 11 -19.976 -3.076 -3.284
81 HE ARG 11 HE ARG 11 -22.400 -4.616 -3.188
82 1HH1 ARG 11 1HH1 ARG 11 -18.928 -4.720 -2.840
83 2HH1 ARG 11 2HH1 ARG 11 -18.948 -6.120 -1.824
84 1HH2 ARG 11 1HH2 ARG 11 -22.428 -6.460 -1.852
85 2HH2 ARG 11 2HH2 ARG 11 -20.932 -7.104 -1.260
86 H GLN 12 H GLN 12 -21.712 1.936 -4.884
87 HA GLN 12 HA GLN 12 -19.932 2.684 -6.916
88 1HB GLN 12 1HB GLN 12 -22.228 3.460 -6.988
89 2HB GLN 12 2HB GLN 12 -22.028 4.296 -5.456
90 1HG GLN 12 1HG GLN 12 -21.540 6.120 -6.604
91 2HG GLN 12 2HG GLN 12 -20.040 5.336 -7.104
92 1HE2 GLN 12 1HE2 GLN 12 -19.728 5.520 -9.192
93 2HE2 GLN 12 2HE2 GLN 12 -20.936 5.440 -10.424
94 H ARG 13 H ARG 13 -20.476 3.900 -3.652
95 HA ARG 13 HA ARG 13 -18.200 5.648 -3.708
96 1HB ARG 13 1HB ARG 13 -20.276 4.888 -1.724
97 2HB ARG 13 2HB ARG 13 -18.764 5.544 -1.108
98 1HG ARG 13 1HG ARG 13 -20.628 6.876 -3.056
99 2HG ARG 13 2HG ARG 13 -20.392 7.300 -1.364
100 1HD ARG 13 1HD ARG 13 -17.848 7.424 -2.260
101 2HD ARG 13 2HD ARG 13 -18.724 7.884 -3.716
102 HE ARG 13 HE ARG 13 -19.280 9.872 -2.716
103 1HH1 ARG 13 1HH1 ARG 13 -18.084 7.672 -0.288
104 2HH1 ARG 13 2HH1 ARG 13 -18.032 8.876 0.952
105 1HH2 ARG 13 1HH2 ARG 13 -19.208 11.456 -1.084
106 2HH2 ARG 13 2HH2 ARG 13 -18.668 11.024 0.500
107 H LEU 14 H LEU 14 -18.892 2.400 -2.536
108 HA LEU 14 HA LEU 14 -16.408 2.184 -1.116
109 1HB LEU 14 1HB LEU 14 -18.464 1.016 -0.404
110 2HB LEU 14 2HB LEU 14 -18.364 0.020 -1.844
111 HG LEU 14 HG LEU 14 -17.528 -1.024 0.312
112 1HD1 LEU 14 1HD1 LEU 14 -15.348 -0.956 -1.728
113 2HD1 LEU 14 2HD1 LEU 14 -16.924 -1.636 -2.132
114 3HD1 LEU 14 3HD1 LEU 14 -15.984 -2.320 -0.808
115 1HD2 LEU 14 1HD2 LEU 14 -15.288 -0.448 1.044
116 2HD2 LEU 14 2HD2 LEU 14 -16.352 0.956 1.164
117 3HD2 LEU 14 3HD2 LEU 14 -15.200 0.832 -0.168
118 H ALA 15 H ALA 15 -17.692 0.480 -3.980
119 HA ALA 15 HA ALA 15 -15.320 -0.852 -4.612
120 1HB ALA 15 1HB ALA 15 -17.228 0.048 -6.736
121 2HB ALA 15 2HB ALA 15 -17.688 -1.184 -5.564
122 3HB ALA 15 3HB ALA 15 -16.312 -1.452 -6.628
123 H GLU 16 H GLU 16 -16.292 2.432 -5.208
124 HA GLU 16 HA GLU 16 -14.568 3.088 -7.308
125 1HB GLU 16 1HB GLU 16 -16.080 4.552 -5.252
126 2HB GLU 16 2HB GLU 16 -14.656 5.400 -5.844
127 1HG GLU 16 1HG GLU 16 -15.460 5.248 -8.112
128 2HG GLU 16 2HG GLU 16 -16.844 4.292 -7.588
129 H LEU 17 H LEU 17 -14.056 3.416 -3.796
130 HA LEU 17 HA LEU 17 -11.292 4.144 -4.156
131 1HB LEU 17 1HB LEU 17 -13.052 3.652 -1.780
132 2HB LEU 17 2HB LEU 17 -11.316 3.804 -1.584
133 HG LEU 17 HG LEU 17 -11.528 6.052 -2.776
134 1HD1 LEU 17 1HD1 LEU 17 -14.428 5.676 -2.040
135 2HD1 LEU 17 2HD1 LEU 17 -13.784 5.640 -3.680
136 3HD1 LEU 17 3HD1 LEU 17 -13.692 7.120 -2.728
137 1HD2 LEU 17 1HD2 LEU 17 -12.572 7.080 -0.624
138 2HD2 LEU 17 2HD2 LEU 17 -11.036 6.212 -0.528
139 3HD2 LEU 17 3HD2 LEU 17 -12.532 5.420 -0.036
140 H GLN 18 H GLN 18 -13.048 1.316 -2.932
141 HA GLN 18 HA GLN 18 -10.852 -0.236 -2.216
142 1HB GLN 18 1HB GLN 18 -13.684 -0.776 -2.916
143 2HB GLN 18 2HB GLN 18 -12.580 -2.144 -2.972
144 1HG GLN 18 1HG GLN 18 -11.936 -1.016 -0.584
145 2HG GLN 18 2HG GLN 18 -13.668 -0.692 -0.688
146 1HE2 GLN 18 1HE2 GLN 18 -11.648 -3.412 -1.744
147 2HE2 GLN 18 2HE2 GLN 18 -12.528 -4.624 -0.880
148 H ALA 19 H ALA 19 -12.048 0.608 -5.332
149 HA ALA 19 HA ALA 19 -10.340 -1.432 -6.588
150 1HB ALA 19 1HB ALA 19 -11.648 -1.180 -8.584
151 2HB ALA 19 2HB ALA 19 -12.512 0.196 -7.896
152 3HB ALA 19 3HB ALA 19 -12.748 -1.420 -7.220
153 H LYS 20 H LYS 20 -9.352 1.040 -5.404
154 HA LYS 20 HA LYS 20 -8.712 2.792 -7.608
155 1HB LYS 20 1HB LYS 20 -9.036 3.396 -5.088
156 2HB LYS 20 2HB LYS 20 -7.360 2.892 -4.932
157 1HG LYS 20 1HG LYS 20 -8.048 4.840 -7.064
158 2HG LYS 20 2HG LYS 20 -8.008 5.400 -5.392
159 1HD LYS 20 1HD LYS 20 -5.816 5.720 -5.812
160 2HD LYS 20 2HD LYS 20 -5.704 3.984 -5.508
161 1HE LYS 20 1HE LYS 20 -4.704 3.956 -7.528
162 2HE LYS 20 2HE LYS 20 -6.364 3.976 -8.124
163 1HZ LYS 20 1HZ LYS 20 -5.008 6.528 -7.580
164 2HZ LYS 20 2HZ LYS 20 -6.224 6.176 -8.704
165 3HZ LYS 20 3HZ LYS 20 -4.632 5.688 -9.000
166 H HIS 21 H HIS 21 -6.636 1.060 -5.276
167 HA HIS 21 HA HIS 21 -4.840 0.384 -7.500
168 1HB HIS 21 1HB HIS 21 -4.132 2.384 -5.956
169 2HB HIS 21 2HB HIS 21 -3.696 1.104 -4.824
170 HD1 HIS 21 HD1 HIS 21 -3.028 -0.332 -7.964
171 HD2 HIS 21 HD2 HIS 21 -1.124 2.560 -5.672
172 HE1 HIS 21 HE1 HIS 21 -0.664 -0.252 -8.816
173 HE2 HIS 21 HE2 HIS 21 0.492 1.444 -7.360
174 H GLY 22 H GLY 22 -6.856 -1.188 -6.108
175 1HA GLY 22 1HA GLY 22 -7.100 -3.300 -5.252
176 2HA GLY 22 2HA GLY 22 -5.440 -3.580 -5.768
177 H ASP 23 H ASP 23 -3.780 -3.456 -4.288
178 HA ASP 23 HA ASP 23 -4.616 -3.172 -1.484
179 1HB ASP 23 1HB ASP 23 -2.536 -4.956 -2.740
180 2HB ASP 23 2HB ASP 23 -2.620 -4.672 -1.004
181 HA PRO 24 HA PRO 24 -1.884 0.480 -2.248
182 1HB PRO 24 1HB PRO 24 -3.104 1.060 0.412
183 2HB PRO 24 2HB PRO 24 -2.872 2.128 -0.984
184 1HG PRO 24 1HG PRO 24 -5.280 1.144 -0.412
185 2HG PRO 24 2HG PRO 24 -4.732 1.292 -2.096
186 1HD PRO 24 1HD PRO 24 -4.944 -1.140 -0.376
187 2HD PRO 24 2HD PRO 24 -5.228 -0.956 -2.120
188 H GLY 25 H GLY 25 -2.256 -1.672 0.500
189 1HA GLY 25 1HA GLY 25 0.204 -0.816 1.752
190 2HA GLY 25 2HA GLY 25 -0.816 -2.148 2.264
191 H ASP 26 H ASP 26 1.128 -1.332 -0.616
192 HA ASP 26 HA ASP 26 2.088 -4.108 -0.644
193 1HB ASP 26 1HB ASP 26 0.980 -2.920 -2.684
194 2HB ASP 26 2HB ASP 26 2.556 -2.156 -2.868
Start of MODEL 15
1 H SER 1 H SER 1 -36.316 -2.644 -3.972
2 HA SER 1 HA SER 1 -34.064 -2.512 -3.232
3 1HB SER 1 1HB SER 1 -34.676 0.088 -4.612
4 2HB SER 1 2HB SER 1 -33.400 -1.084 -4.956
5 HG SER 1 HG SER 1 -36.052 -1.044 -5.776
6 H ALA 2 H ALA 2 -34.472 -2.132 -0.864
7 HA ALA 2 HA ALA 2 -34.112 0.612 0.028
8 1HB ALA 2 1HB ALA 2 -35.528 -0.504 1.472
9 2HB ALA 2 2HB ALA 2 -33.976 -0.688 2.296
10 3HB ALA 2 3HB ALA 2 -34.632 -2.016 1.340
11 H ASP 3 H ASP 3 -32.504 -2.496 0.520
12 HA ASP 3 HA ASP 3 -30.000 -1.276 1.280
13 1HB ASP 3 1HB ASP 3 -30.704 -3.360 2.344
14 2HB ASP 3 2HB ASP 3 -30.820 -4.144 0.760
15 H GLU 4 H GLU 4 -31.436 -2.924 -1.436
16 HA GLU 4 HA GLU 4 -29.248 -3.380 -3.064
17 1HB GLU 4 1HB GLU 4 -31.236 -4.352 -3.748
18 2HB GLU 4 2HB GLU 4 -32.156 -2.868 -3.516
19 1HG GLU 4 1HG GLU 4 -31.112 -1.920 -5.516
20 2HG GLU 4 2HG GLU 4 -30.188 -3.404 -5.740
21 H GLU 5 H GLU 5 -31.448 -0.568 -3.160
22 HA GLU 5 HA GLU 5 -30.176 0.928 -5.092
23 1HB GLU 5 1HB GLU 5 -32.312 1.324 -3.536
24 2HB GLU 5 2HB GLU 5 -31.164 2.360 -2.696
25 1HG GLU 5 1HG GLU 5 -31.712 2.560 -5.644
26 2HG GLU 5 2HG GLU 5 -32.592 3.484 -4.428
27 H LEU 6 H LEU 6 -29.688 1.108 -1.584
28 HA LEU 6 HA LEU 6 -27.528 2.868 -1.592
29 1HB LEU 6 1HB LEU 6 -28.944 1.384 0.316
30 2HB LEU 6 2HB LEU 6 -27.280 0.820 0.436
31 HG LEU 6 HG LEU 6 -26.508 3.092 0.856
32 1HD1 LEU 6 1HD1 LEU 6 -28.756 3.916 -0.436
33 2HD1 LEU 6 2HD1 LEU 6 -27.720 4.948 0.548
34 3HD1 LEU 6 3HD1 LEU 6 -29.176 4.236 1.248
35 1HD2 LEU 6 1HD2 LEU 6 -27.756 1.492 2.620
36 2HD2 LEU 6 2HD2 LEU 6 -28.764 2.932 2.752
37 3HD2 LEU 6 3HD2 LEU 6 -27.028 3.040 3.056
38 H GLU 7 H GLU 7 -27.804 -0.564 -2.024
39 HA GLU 7 HA GLU 7 -25.168 -1.304 -1.696
40 1HB GLU 7 1HB GLU 7 -27.428 -2.624 -2.440
41 2HB GLU 7 2HB GLU 7 -26.548 -2.612 -3.960
42 1HG GLU 7 1HG GLU 7 -25.660 -4.508 -3.164
43 2HG GLU 7 2HG GLU 7 -24.592 -3.404 -2.300
44 H ALA 8 H ALA 8 -26.788 0.136 -4.448
45 HA ALA 8 HA ALA 8 -24.524 0.020 -6.208
46 1HB ALA 8 1HB ALA 8 -27.252 0.640 -6.452
47 2HB ALA 8 2HB ALA 8 -26.040 0.608 -7.736
48 3HB ALA 8 3HB ALA 8 -26.384 2.112 -6.880
49 H LEU 9 H LEU 9 -25.812 2.188 -3.840
50 HA LEU 9 HA LEU 9 -24.236 4.464 -4.512
51 1HB LEU 9 1HB LEU 9 -26.412 4.616 -3.348
52 2HB LEU 9 2HB LEU 9 -25.720 3.776 -1.964
53 HG LEU 9 HG LEU 9 -24.448 5.620 -1.324
54 1HD1 LEU 9 1HD1 LEU 9 -24.620 6.376 -4.188
55 2HD1 LEU 9 2HD1 LEU 9 -23.228 6.352 -3.100
56 3HD1 LEU 9 3HD1 LEU 9 -24.404 7.664 -3.000
57 1HD2 LEU 9 1HD2 LEU 9 -26.624 6.204 -0.764
58 2HD2 LEU 9 2HD2 LEU 9 -27.088 6.480 -2.444
59 3HD2 LEU 9 3HD2 LEU 9 -26.032 7.632 -1.620
60 H ARG 10 H ARG 10 -24.144 2.028 -2.000
61 HA ARG 10 HA ARG 10 -21.752 2.976 -0.772
62 1HB ARG 10 1HB ARG 10 -22.640 0.144 -0.472
63 2HB ARG 10 2HB ARG 10 -22.036 1.256 0.744
64 1HG ARG 10 1HG ARG 10 -24.540 2.200 -0.300
65 2HG ARG 10 2HG ARG 10 -24.708 0.540 0.252
66 1HD ARG 10 1HD ARG 10 -23.184 2.136 2.116
67 2HD ARG 10 2HD ARG 10 -24.748 2.876 1.760
68 HE ARG 10 HE ARG 10 -25.800 1.120 2.824
69 1HH1 ARG 10 1HH1 ARG 10 -22.404 0.396 2.460
70 2HH1 ARG 10 2HH1 ARG 10 -22.456 -0.976 3.512
71 1HH2 ARG 10 1HH2 ARG 10 -25.868 -0.680 4.208
72 2HH2 ARG 10 2HH2 ARG 10 -24.424 -1.588 4.504
73 H ARG 11 H ARG 11 -22.480 0.776 -3.368
74 HA ARG 11 HA ARG 11 -19.788 -0.260 -3.412
75 1HB ARG 11 1HB ARG 11 -22.160 -0.592 -5.248
76 2HB ARG 11 2HB ARG 11 -20.576 -1.256 -5.624
77 1HG ARG 11 1HG ARG 11 -21.716 -1.912 -2.976
78 2HG ARG 11 2HG ARG 11 -22.468 -2.656 -4.388
79 1HD ARG 11 1HD ARG 11 -20.252 -3.480 -5.096
80 2HD ARG 11 2HD ARG 11 -19.548 -2.780 -3.636
81 HE ARG 11 HE ARG 11 -21.656 -4.508 -2.932
82 1HH1 ARG 11 1HH1 ARG 11 -18.404 -4.596 -4.192
83 2HH1 ARG 11 2HH1 ARG 11 -18.060 -6.164 -3.544
84 1HH2 ARG 11 1HH2 ARG 11 -21.208 -6.572 -2.084
85 2HH2 ARG 11 2HH2 ARG 11 -19.656 -7.288 -2.348
86 H GLN 12 H GLN 12 -21.668 2.272 -4.864
87 HA GLN 12 HA GLN 12 -19.872 2.772 -6.964
88 1HB GLN 12 1HB GLN 12 -22.220 4.072 -5.844
89 2HB GLN 12 2HB GLN 12 -21.012 5.236 -6.364
90 1HG GLN 12 1HG GLN 12 -22.716 4.676 -8.084
91 2HG GLN 12 2HG GLN 12 -21.052 4.400 -8.592
92 1HE2 GLN 12 1HE2 GLN 12 -24.108 3.108 -8.444
93 2HE2 GLN 12 2HE2 GLN 12 -23.716 1.448 -8.740
94 H ARG 13 H ARG 13 -20.296 4.228 -3.780
95 HA ARG 13 HA ARG 13 -17.916 5.820 -3.968
96 1HB ARG 13 1HB ARG 13 -20.196 5.764 -2.328
97 2HB ARG 13 2HB ARG 13 -18.840 5.432 -1.264
98 1HG ARG 13 1HG ARG 13 -17.812 7.496 -2.600
99 2HG ARG 13 2HG ARG 13 -19.528 7.888 -2.752
100 1HD ARG 13 1HD ARG 13 -19.820 8.076 -0.456
101 2HD ARG 13 2HD ARG 13 -18.368 7.144 -0.096
102 HE ARG 13 HE ARG 13 -17.176 9.084 -0.156
103 1HH1 ARG 13 1HH1 ARG 13 -20.160 9.584 -1.892
104 2HH1 ARG 13 2HH1 ARG 13 -19.876 11.272 -2.144
105 1HH2 ARG 13 1HH2 ARG 13 -16.804 11.304 -0.484
106 2HH2 ARG 13 2HH2 ARG 13 -17.972 12.252 -1.344
107 H LEU 14 H LEU 14 -18.788 2.688 -2.640
108 HA LEU 14 HA LEU 14 -16.332 2.396 -1.192
109 1HB LEU 14 1HB LEU 14 -18.420 1.360 -0.428
110 2HB LEU 14 2HB LEU 14 -18.420 0.344 -1.852
111 HG LEU 14 HG LEU 14 -16.776 -1.040 -1.064
112 1HD1 LEU 14 1HD1 LEU 14 -15.808 1.312 0.524
113 2HD1 LEU 14 2HD1 LEU 14 -14.980 0.440 -0.764
114 3HD1 LEU 14 3HD1 LEU 14 -15.212 -0.320 0.808
115 1HD2 LEU 14 1HD2 LEU 14 -17.524 -0.200 1.676
116 2HD2 LEU 14 2HD2 LEU 14 -17.532 -1.800 0.932
117 3HD2 LEU 14 3HD2 LEU 14 -18.828 -0.656 0.584
118 H ALA 15 H ALA 15 -17.688 0.656 -3.996
119 HA ALA 15 HA ALA 15 -15.376 -0.812 -4.556
120 1HB ALA 15 1HB ALA 15 -17.316 0.064 -6.672
121 2HB ALA 15 2HB ALA 15 -17.732 -1.152 -5.464
122 3HB ALA 15 3HB ALA 15 -16.392 -1.436 -6.572
123 H GLU 16 H GLU 16 -16.232 2.472 -5.316
124 HA GLU 16 HA GLU 16 -14.540 2.984 -7.464
125 1HB GLU 16 1HB GLU 16 -15.912 4.576 -5.416
126 2HB GLU 16 2HB GLU 16 -14.452 5.328 -6.036
127 1HG GLU 16 1HG GLU 16 -15.280 5.272 -8.272
128 2HG GLU 16 2HG GLU 16 -16.660 4.288 -7.792
129 H LEU 17 H LEU 17 -13.876 3.376 -3.988
130 HA LEU 17 HA LEU 17 -11.120 4.016 -4.420
131 1HB LEU 17 1HB LEU 17 -12.796 4.460 -2.380
132 2HB LEU 17 2HB LEU 17 -12.028 3.004 -1.784
133 HG LEU 17 HG LEU 17 -9.816 4.324 -2.384
134 1HD1 LEU 17 1HD1 LEU 17 -11.172 6.224 -3.332
135 2HD1 LEU 17 2HD1 LEU 17 -9.968 6.672 -2.128
136 3HD1 LEU 17 3HD1 LEU 17 -11.676 6.580 -1.684
137 1HD2 LEU 17 1HD2 LEU 17 -10.208 5.444 0.008
138 2HD2 LEU 17 2HD2 LEU 17 -9.888 3.724 -0.204
139 3HD2 LEU 17 3HD2 LEU 17 -11.540 4.292 0.016
140 H GLN 18 H GLN 18 -12.892 1.132 -3.396
141 HA GLN 18 HA GLN 18 -10.696 -0.500 -2.808
142 1HB GLN 18 1HB GLN 18 -13.360 -1.352 -3.956
143 2HB GLN 18 2HB GLN 18 -12.220 -2.380 -3.100
144 1HG GLN 18 1HG GLN 18 -12.928 -0.056 -1.540
145 2HG GLN 18 2HG GLN 18 -14.352 -0.980 -2.020
146 1HE2 GLN 18 1HE2 GLN 18 -14.788 -2.860 -1.024
147 2HE2 GLN 18 2HE2 GLN 18 -13.796 -3.576 0.196
148 H ALA 19 H ALA 19 -11.956 0.584 -5.836
149 HA ALA 19 HA ALA 19 -10.328 -1.392 -7.284
150 1HB ALA 19 1HB ALA 19 -12.668 0.300 -8.108
151 2HB ALA 19 2HB ALA 19 -12.512 -1.456 -8.124
152 3HB ALA 19 3HB ALA 19 -11.620 -0.484 -9.292
153 H LYS 20 H LYS 20 -9.120 0.820 -5.912
154 HA LYS 20 HA LYS 20 -7.964 2.220 -8.224
155 1HB LYS 20 1HB LYS 20 -9.048 3.348 -5.692
156 2HB LYS 20 2HB LYS 20 -7.592 4.084 -6.352
157 1HG LYS 20 1HG LYS 20 -8.872 4.276 -8.540
158 2HG LYS 20 2HG LYS 20 -10.312 3.892 -7.596
159 1HD LYS 20 1HD LYS 20 -10.080 5.836 -6.268
160 2HD LYS 20 2HD LYS 20 -8.444 6.128 -6.856
161 1HE LYS 20 1HE LYS 20 -9.472 7.600 -8.220
162 2HE LYS 20 2HE LYS 20 -9.804 6.160 -9.184
163 1HZ LYS 20 1HZ LYS 20 -11.712 7.780 -8.528
164 2HZ LYS 20 2HZ LYS 20 -11.696 6.916 -7.076
165 3HZ LYS 20 3HZ LYS 20 -11.980 6.108 -8.532
166 H HIS 21 H HIS 21 -7.108 -0.172 -6.752
167 HA HIS 21 HA HIS 21 -4.640 0.812 -5.492
168 1HB HIS 21 1HB HIS 21 -6.316 -1.620 -5.124
169 2HB HIS 21 2HB HIS 21 -4.576 -1.792 -4.896
170 HD1 HIS 21 HD1 HIS 21 -7.572 -0.916 -3.116
171 HD2 HIS 21 HD2 HIS 21 -3.576 0.208 -2.916
172 HE1 HIS 21 HE1 HIS 21 -7.276 0.112 -0.844
173 HE2 HIS 21 HE2 HIS 21 -4.832 0.708 -0.712
174 H GLY 22 H GLY 22 -2.640 0.172 -6.212
175 1HA GLY 22 1HA GLY 22 -2.460 -1.748 -8.400
176 2HA GLY 22 2HA GLY 22 -1.984 -0.096 -8.772
177 H ASP 23 H ASP 23 -0.524 0.784 -6.796
178 HA ASP 23 HA ASP 23 1.488 -1.268 -6.184
179 1HB ASP 23 1HB ASP 23 1.840 1.252 -7.716
180 2HB ASP 23 2HB ASP 23 3.116 0.824 -6.572
181 HA PRO 24 HA PRO 24 0.196 0.828 -2.272
182 1HB PRO 24 1HB PRO 24 1.700 -1.568 -1.324
183 2HB PRO 24 2HB PRO 24 0.156 -0.908 -0.760
184 1HG PRO 24 1HG PRO 24 0.212 -3.088 -2.280
185 2HG PRO 24 2HG PRO 24 -1.044 -1.856 -2.504
186 1HD PRO 24 1HD PRO 24 1.380 -2.420 -4.152
187 2HD PRO 24 2HD PRO 24 -0.240 -1.888 -4.660
188 H GLY 25 H GLY 25 3.320 -0.636 -3.124
189 1HA GLY 25 1HA GLY 25 4.704 1.188 -1.312
190 2HA GLY 25 2HA GLY 25 5.428 -0.148 -2.196
191 H ASP 26 H ASP 26 3.508 2.648 -3.256
192 HA ASP 26 HA ASP 26 5.792 3.836 -4.560
193 1HB ASP 26 1HB ASP 26 5.096 2.112 -6.188
194 2HB ASP 26 2HB ASP 26 3.484 2.820 -6.232
Start of MODEL 16
1 H SER 1 H SER 1 -36.280 -2.320 -1.860
2 HA SER 1 HA SER 1 -34.096 -2.660 -2.996
3 1HB SER 1 1HB SER 1 -34.992 -0.128 -4.412
4 2HB SER 1 2HB SER 1 -33.464 -0.992 -4.628
5 HG SER 1 HG SER 1 -34.916 -1.504 -6.292
6 H ALA 2 H ALA 2 -34.400 -2.284 -0.612
7 HA ALA 2 HA ALA 2 -33.976 0.456 0.272
8 1HB ALA 2 1HB ALA 2 -35.340 -0.656 1.772
9 2HB ALA 2 2HB ALA 2 -33.760 -0.852 2.528
10 3HB ALA 2 3HB ALA 2 -34.464 -2.176 1.596
11 H ASP 3 H ASP 3 -32.380 -2.672 0.680
12 HA ASP 3 HA ASP 3 -29.836 -1.480 1.340
13 1HB ASP 3 1HB ASP 3 -30.512 -3.560 2.424
14 2HB ASP 3 2HB ASP 3 -30.704 -4.340 0.848
15 H GLU 4 H GLU 4 -31.404 -3.100 -1.320
16 HA GLU 4 HA GLU 4 -29.288 -3.572 -3.040
17 1HB GLU 4 1HB GLU 4 -31.312 -4.520 -3.644
18 2HB GLU 4 2HB GLU 4 -32.208 -3.036 -3.364
19 1HG GLU 4 1HG GLU 4 -31.252 -2.080 -5.404
20 2HG GLU 4 2HG GLU 4 -30.344 -3.564 -5.676
21 H GLU 5 H GLU 5 -31.468 -0.740 -3.032
22 HA GLU 5 HA GLU 5 -30.264 0.752 -5.016
23 1HB GLU 5 1HB GLU 5 -32.328 1.168 -3.364
24 2HB GLU 5 2HB GLU 5 -31.140 2.184 -2.572
25 1HG GLU 5 1HG GLU 5 -31.808 2.404 -5.488
26 2HG GLU 5 2HG GLU 5 -32.624 3.332 -4.236
27 H LEU 6 H LEU 6 -29.624 0.916 -1.528
28 HA LEU 6 HA LEU 6 -27.452 2.656 -1.616
29 1HB LEU 6 1HB LEU 6 -28.796 1.152 0.336
30 2HB LEU 6 2HB LEU 6 -27.120 0.616 0.392
31 HG LEU 6 HG LEU 6 -26.476 3.060 0.608
32 1HD1 LEU 6 1HD1 LEU 6 -28.428 4.156 -0.180
33 2HD1 LEU 6 2HD1 LEU 6 -28.296 4.512 1.540
34 3HD1 LEU 6 3HD1 LEU 6 -29.452 3.304 0.980
35 1HD2 LEU 6 1HD2 LEU 6 -26.432 2.820 2.852
36 2HD2 LEU 6 2HD2 LEU 6 -27.032 1.208 2.484
37 3HD2 LEU 6 3HD2 LEU 6 -28.156 2.476 2.956
38 H GLU 7 H GLU 7 -27.776 -0.768 -2.052
39 HA GLU 7 HA GLU 7 -25.136 -1.532 -1.836
40 1HB GLU 7 1HB GLU 7 -27.436 -2.832 -2.500
41 2HB GLU 7 2HB GLU 7 -26.616 -2.820 -4.052
42 1HG GLU 7 1HG GLU 7 -24.996 -4.244 -3.372
43 2HG GLU 7 2HG GLU 7 -25.016 -3.652 -1.716
44 H ALA 8 H ALA 8 -26.860 -0.080 -4.524
45 HA ALA 8 HA ALA 8 -24.660 -0.200 -6.364
46 1HB ALA 8 1HB ALA 8 -26.288 0.296 -7.808
47 2HB ALA 8 2HB ALA 8 -26.484 1.876 -7.056
48 3HB ALA 8 3HB ALA 8 -27.412 0.504 -6.468
49 H LEU 9 H LEU 9 -25.868 1.984 -3.956
50 HA LEU 9 HA LEU 9 -24.284 4.240 -4.716
51 1HB LEU 9 1HB LEU 9 -26.440 4.440 -3.524
52 2HB LEU 9 2HB LEU 9 -25.732 3.636 -2.128
53 HG LEU 9 HG LEU 9 -24.428 5.488 -1.568
54 1HD1 LEU 9 1HD1 LEU 9 -23.244 6.168 -3.388
55 2HD1 LEU 9 2HD1 LEU 9 -24.416 7.484 -3.296
56 3HD1 LEU 9 3HD1 LEU 9 -24.656 6.164 -4.448
57 1HD2 LEU 9 1HD2 LEU 9 -27.000 5.792 -1.488
58 2HD2 LEU 9 2HD2 LEU 9 -26.736 6.948 -2.792
59 3HD2 LEU 9 3HD2 LEU 9 -25.960 7.192 -1.228
60 H ARG 10 H ARG 10 -24.232 1.996 -2.028
61 HA ARG 10 HA ARG 10 -21.836 2.904 -0.860
62 1HB ARG 10 1HB ARG 10 -22.732 0.068 -0.572
63 2HB ARG 10 2HB ARG 10 -22.084 1.160 0.644
64 1HG ARG 10 1HG ARG 10 -24.616 2.104 -0.388
65 2HG ARG 10 2HG ARG 10 -24.760 0.476 0.264
66 1HD ARG 10 1HD ARG 10 -23.184 2.260 1.940
67 2HD ARG 10 2HD ARG 10 -24.828 2.848 1.660
68 HE ARG 10 HE ARG 10 -25.212 0.264 2.336
69 1HH1 ARG 10 1HH1 ARG 10 -23.432 2.864 3.832
70 2HH1 ARG 10 2HH1 ARG 10 -23.664 2.268 5.440
71 1HH2 ARG 10 1HH2 ARG 10 -25.520 -0.524 4.452
72 2HH2 ARG 10 2HH2 ARG 10 -24.848 0.344 5.792
73 H ARG 11 H ARG 11 -22.508 0.608 -3.408
74 HA ARG 11 HA ARG 11 -19.776 -0.332 -3.420
75 1HB ARG 11 1HB ARG 11 -22.104 -0.808 -5.288
76 2HB ARG 11 2HB ARG 11 -20.500 -1.484 -5.548
77 1HG ARG 11 1HG ARG 11 -21.820 -1.964 -2.928
78 2HG ARG 11 2HG ARG 11 -22.400 -2.852 -4.340
79 1HD ARG 11 1HD ARG 11 -19.740 -3.176 -4.632
80 2HD ARG 11 2HD ARG 11 -19.848 -3.064 -2.876
81 HE ARG 11 HE ARG 11 -21.800 -4.852 -3.624
82 1HH1 ARG 11 1HH1 ARG 11 -18.332 -4.628 -3.968
83 2HH1 ARG 11 2HH1 ARG 11 -18.096 -6.344 -3.968
84 1HH2 ARG 11 1HH2 ARG 11 -21.492 -7.108 -3.628
85 2HH2 ARG 11 2HH2 ARG 11 -19.888 -7.748 -3.776
86 H GLN 12 H GLN 12 -21.752 2.056 -4.980
87 HA GLN 12 HA GLN 12 -19.992 2.536 -7.108
88 1HB GLN 12 1HB GLN 12 -22.232 3.384 -7.272
89 2HB GLN 12 2HB GLN 12 -22.044 4.312 -5.788
90 1HG GLN 12 1HG GLN 12 -20.172 4.920 -7.996
91 2HG GLN 12 2HG GLN 12 -21.860 5.392 -8.216
92 1HE2 GLN 12 1HE2 GLN 12 -22.800 6.840 -6.708
93 2HE2 GLN 12 2HE2 GLN 12 -21.812 7.928 -5.792
94 H ARG 13 H ARG 13 -20.432 4.096 -3.976
95 HA ARG 13 HA ARG 13 -18.108 5.752 -4.244
96 1HB ARG 13 1HB ARG 13 -20.368 5.684 -2.580
97 2HB ARG 13 2HB ARG 13 -18.992 5.436 -1.520
98 1HG ARG 13 1HG ARG 13 -18.044 7.480 -2.936
99 2HG ARG 13 2HG ARG 13 -19.772 7.812 -3.088
100 1HD ARG 13 1HD ARG 13 -20.040 7.944 -0.740
101 2HD ARG 13 2HD ARG 13 -18.440 7.268 -0.448
102 HE ARG 13 HE ARG 13 -17.576 9.368 -0.660
103 1HH1 ARG 13 1HH1 ARG 13 -20.724 9.320 -2.164
104 2HH1 ARG 13 2HH1 ARG 13 -20.740 11.024 -2.472
105 1HH2 ARG 13 1HH2 ARG 13 -17.592 11.608 -1.064
106 2HH2 ARG 13 2HH2 ARG 13 -18.960 12.324 -1.848
107 H LEU 14 H LEU 14 -18.872 2.660 -2.736
108 HA LEU 14 HA LEU 14 -16.372 2.512 -1.348
109 1HB LEU 14 1HB LEU 14 -18.444 1.484 -0.484
110 2HB LEU 14 2HB LEU 14 -18.400 0.348 -1.816
111 HG LEU 14 HG LEU 14 -17.556 -0.496 0.416
112 1HD1 LEU 14 1HD1 LEU 14 -16.068 -1.948 -0.588
113 2HD1 LEU 14 2HD1 LEU 14 -15.416 -0.704 -1.652
114 3HD1 LEU 14 3HD1 LEU 14 -17.016 -1.372 -1.960
115 1HD2 LEU 14 1HD2 LEU 14 -16.308 1.508 1.056
116 2HD2 LEU 14 2HD2 LEU 14 -15.196 1.244 -0.284
117 3HD2 LEU 14 3HD2 LEU 14 -15.276 0.080 1.040
118 H ALA 15 H ALA 15 -17.760 0.572 -4.004
119 HA ALA 15 HA ALA 15 -15.444 -0.896 -4.532
120 1HB ALA 15 1HB ALA 15 -16.496 -1.672 -6.448
121 2HB ALA 15 2HB ALA 15 -17.352 -0.156 -6.720
122 3HB ALA 15 3HB ALA 15 -17.844 -1.228 -5.412
123 H GLU 16 H GLU 16 -16.328 2.344 -5.444
124 HA GLU 16 HA GLU 16 -14.632 2.736 -7.628
125 1HB GLU 16 1HB GLU 16 -16.052 4.440 -5.700
126 2HB GLU 16 2HB GLU 16 -14.616 5.176 -6.392
127 1HG GLU 16 1HG GLU 16 -15.468 4.816 -8.628
128 2HG GLU 16 2HG GLU 16 -16.884 3.992 -7.976
129 H LEU 17 H LEU 17 -14.028 3.388 -4.176
130 HA LEU 17 HA LEU 17 -11.256 3.988 -4.664
131 1HB LEU 17 1HB LEU 17 -12.448 5.136 -2.888
132 2HB LEU 17 2HB LEU 17 -12.800 3.608 -2.108
133 HG LEU 17 HG LEU 17 -10.176 3.388 -2.040
134 1HD1 LEU 17 1HD1 LEU 17 -10.672 6.292 -2.532
135 2HD1 LEU 17 2HD1 LEU 17 -9.408 5.244 -3.172
136 3HD1 LEU 17 3HD1 LEU 17 -9.336 5.788 -1.496
137 1HD2 LEU 17 1HD2 LEU 17 -10.196 4.312 0.184
138 2HD2 LEU 17 2HD2 LEU 17 -11.724 3.480 -0.112
139 3HD2 LEU 17 3HD2 LEU 17 -11.652 5.240 -0.176
140 H GLN 18 H GLN 18 -13.080 1.312 -3.240
141 HA GLN 18 HA GLN 18 -10.936 -0.232 -2.364
142 1HB GLN 18 1HB GLN 18 -13.768 -0.756 -3.084
143 2HB GLN 18 2HB GLN 18 -12.696 -2.152 -3.012
144 1HG GLN 18 1HG GLN 18 -12.024 -1.076 -0.700
145 2HG GLN 18 2HG GLN 18 -13.624 -0.352 -0.844
146 1HE2 GLN 18 1HE2 GLN 18 -12.772 -2.232 1.120
147 2HE2 GLN 18 2HE2 GLN 18 -13.748 -3.648 0.936
148 H ALA 19 H ALA 19 -12.080 0.388 -5.560
149 HA ALA 19 HA ALA 19 -10.832 -1.920 -6.752
150 1HB ALA 19 1HB ALA 19 -12.852 -0.888 -7.716
151 2HB ALA 19 2HB ALA 19 -11.520 -0.968 -8.868
152 3HB ALA 19 3HB ALA 19 -11.916 0.560 -8.084
153 H LYS 20 H LYS 20 -10.100 1.516 -6.404
154 HA LYS 20 HA LYS 20 -7.476 1.056 -7.648
155 1HB LYS 20 1HB LYS 20 -9.264 3.424 -7.420
156 2HB LYS 20 2HB LYS 20 -7.528 3.712 -7.428
157 1HG LYS 20 1HG LYS 20 -8.544 1.908 -9.524
158 2HG LYS 20 2HG LYS 20 -9.028 3.604 -9.644
159 1HD LYS 20 1HD LYS 20 -6.388 3.864 -9.092
160 2HD LYS 20 2HD LYS 20 -6.388 2.348 -10.004
161 1HE LYS 20 1HE LYS 20 -7.040 3.356 -11.936
162 2HE LYS 20 2HE LYS 20 -7.984 4.588 -11.104
163 1HZ LYS 20 1HZ LYS 20 -5.848 5.296 -12.280
164 2HZ LYS 20 2HZ LYS 20 -5.036 4.584 -10.980
165 3HZ LYS 20 3HZ LYS 20 -6.104 5.868 -10.704
166 H HIS 21 H HIS 21 -8.204 0.296 -4.904
167 HA HIS 21 HA HIS 21 -7.152 2.120 -3.036
168 1HB HIS 21 1HB HIS 21 -8.496 -0.200 -2.812
169 2HB HIS 21 2HB HIS 21 -6.860 -0.776 -2.476
170 HD1 HIS 21 HD1 HIS 21 -9.452 1.636 -1.164
171 HD2 HIS 21 HD2 HIS 21 -5.900 -0.160 0.028
172 HE1 HIS 21 HE1 HIS 21 -9.204 2.188 1.276
173 HE2 HIS 21 HE2 HIS 21 -7.008 1.168 1.956
174 H GLY 22 H GLY 22 -5.664 -0.356 -5.028
175 1HA GLY 22 1HA GLY 22 -3.188 0.676 -5.284
176 2HA GLY 22 2HA GLY 22 -3.096 -0.104 -3.712
177 H ASP 23 H ASP 23 -4.552 -2.384 -4.088
178 HA ASP 23 HA ASP 23 -4.368 -4.524 -4.840
179 1HB ASP 23 1HB ASP 23 -4.264 -2.856 -7.248
180 2HB ASP 23 2HB ASP 23 -3.508 -4.440 -7.452
181 HA PRO 24 HA PRO 24 -0.184 -5.864 -4.560
182 1HB PRO 24 1HB PRO 24 -0.064 -8.064 -6.148
183 2HB PRO 24 2HB PRO 24 -0.920 -8.044 -4.600
184 1HG PRO 24 1HG PRO 24 -2.012 -7.756 -7.372
185 2HG PRO 24 2HG PRO 24 -2.648 -8.700 -6.012
186 1HD PRO 24 1HD PRO 24 -3.652 -6.284 -6.708
187 2HD PRO 24 2HD PRO 24 -3.620 -6.860 -5.024
188 H GLY 25 H GLY 25 1.580 -6.992 -6.256
189 1HA GLY 25 1HA GLY 25 2.220 -4.784 -8.012
190 2HA GLY 25 2HA GLY 25 3.240 -6.176 -7.672
191 H ASP 26 H ASP 26 1.668 -8.276 -8.408
192 HA ASP 26 HA ASP 26 1.068 -9.524 -10.212
193 1HB ASP 26 1HB ASP 26 -0.652 -7.456 -10.208
194 2HB ASP 26 2HB ASP 26 0.120 -7.180 -11.768
Start of MODEL 17
1 H SER 1 H SER 1 -36.204 -2.568 -2.108
2 HA SER 1 HA SER 1 -34.028 -2.680 -3.060
3 1HB SER 1 1HB SER 1 -35.116 -0.420 -4.764
4 2HB SER 1 2HB SER 1 -33.396 -0.824 -4.648
5 HG SER 1 HG SER 1 -34.952 -1.816 -6.368
6 H ALA 2 H ALA 2 -34.452 -2.176 -0.716
7 HA ALA 2 HA ALA 2 -34.104 0.616 0.024
8 1HB ALA 2 1HB ALA 2 -33.972 -0.556 2.360
9 2HB ALA 2 2HB ALA 2 -34.616 -1.940 1.476
10 3HB ALA 2 3HB ALA 2 -35.524 -0.428 1.524
11 H ASP 3 H ASP 3 -32.484 -2.456 0.688
12 HA ASP 3 HA ASP 3 -29.992 -1.184 1.396
13 1HB ASP 3 1HB ASP 3 -30.688 -3.212 2.564
14 2HB ASP 3 2HB ASP 3 -30.796 -4.080 1.028
15 H GLU 4 H GLU 4 -31.408 -2.984 -1.236
16 HA GLU 4 HA GLU 4 -29.212 -3.520 -2.828
17 1HB GLU 4 1HB GLU 4 -31.192 -4.536 -3.468
18 2HB GLU 4 2HB GLU 4 -32.120 -3.048 -3.316
19 1HG GLU 4 1HG GLU 4 -31.076 -2.200 -5.360
20 2HG GLU 4 2HG GLU 4 -30.144 -3.688 -5.504
21 H GLU 5 H GLU 5 -31.424 -0.724 -3.084
22 HA GLU 5 HA GLU 5 -30.148 0.668 -5.092
23 1HB GLU 5 1HB GLU 5 -32.292 1.144 -3.568
24 2HB GLU 5 2HB GLU 5 -31.152 2.224 -2.780
25 1HG GLU 5 1HG GLU 5 -31.688 2.260 -5.736
26 2HG GLU 5 2HG GLU 5 -32.576 3.248 -4.576
27 H LEU 6 H LEU 6 -29.676 1.040 -1.596
28 HA LEU 6 HA LEU 6 -27.524 2.808 -1.688
29 1HB LEU 6 1HB LEU 6 -28.948 1.452 0.296
30 2HB LEU 6 2HB LEU 6 -27.300 0.844 0.436
31 HG LEU 6 HG LEU 6 -26.460 3.096 0.776
32 1HD1 LEU 6 1HD1 LEU 6 -29.300 3.904 0.236
33 2HD1 LEU 6 2HD1 LEU 6 -27.832 4.444 -0.576
34 3HD1 LEU 6 3HD1 LEU 6 -28.160 4.952 1.080
35 1HD2 LEU 6 1HD2 LEU 6 -28.764 3.144 2.616
36 2HD2 LEU 6 2HD2 LEU 6 -27.032 3.192 2.960
37 3HD2 LEU 6 3HD2 LEU 6 -27.816 1.656 2.592
38 H GLU 7 H GLU 7 -27.784 -0.644 -1.936
39 HA GLU 7 HA GLU 7 -25.148 -1.356 -1.560
40 1HB GLU 7 1HB GLU 7 -27.396 -2.724 -2.240
41 2HB GLU 7 2HB GLU 7 -26.516 -2.784 -3.756
42 1HG GLU 7 1HG GLU 7 -24.860 -4.100 -2.908
43 2HG GLU 7 2HG GLU 7 -25.060 -3.484 -1.272
44 H ALA 8 H ALA 8 -26.760 -0.080 -4.400
45 HA ALA 8 HA ALA 8 -24.484 -0.280 -6.136
46 1HB ALA 8 1HB ALA 8 -27.224 0.344 -6.412
47 2HB ALA 8 2HB ALA 8 -26.016 0.176 -7.688
48 3HB ALA 8 3HB ALA 8 -26.320 1.756 -6.968
49 H LEU 9 H LEU 9 -25.804 2.008 -3.900
50 HA LEU 9 HA LEU 9 -24.240 4.252 -4.692
51 1HB LEU 9 1HB LEU 9 -26.416 4.456 -3.544
52 2HB LEU 9 2HB LEU 9 -25.724 3.704 -2.116
53 HG LEU 9 HG LEU 9 -24.464 5.588 -1.576
54 1HD1 LEU 9 1HD1 LEU 9 -24.416 7.528 -3.364
55 2HD1 LEU 9 2HD1 LEU 9 -24.624 6.176 -4.480
56 3HD1 LEU 9 3HD1 LEU 9 -23.240 6.212 -3.392
57 1HD2 LEU 9 1HD2 LEU 9 -26.076 7.112 -1.164
58 2HD2 LEU 9 2HD2 LEU 9 -27.128 5.852 -1.812
59 3HD2 LEU 9 3HD2 LEU 9 -26.600 7.180 -2.844
60 H ARG 10 H ARG 10 -24.072 1.864 -2.152
61 HA ARG 10 HA ARG 10 -21.680 2.936 -0.980
62 1HB ARG 10 1HB ARG 10 -22.572 0.144 -0.448
63 2HB ARG 10 2HB ARG 10 -21.968 1.356 0.672
64 1HG ARG 10 1HG ARG 10 -24.464 2.236 -0.408
65 2HG ARG 10 2HG ARG 10 -24.648 0.596 0.212
66 1HD ARG 10 1HD ARG 10 -23.120 2.244 2.020
67 2HD ARG 10 2HD ARG 10 -24.660 3.004 1.620
68 HE ARG 10 HE ARG 10 -25.756 1.340 2.772
69 1HH1 ARG 10 1HH1 ARG 10 -22.408 0.440 2.356
70 2HH1 ARG 10 2HH1 ARG 10 -22.512 -0.908 3.436
71 1HH2 ARG 10 1HH2 ARG 10 -25.888 -0.428 4.192
72 2HH2 ARG 10 2HH2 ARG 10 -24.484 -1.404 4.476
73 H ARG 11 H ARG 11 -22.480 0.572 -3.404
74 HA ARG 11 HA ARG 11 -19.788 -0.488 -3.416
75 1HB ARG 11 1HB ARG 11 -22.192 -0.944 -5.192
76 2HB ARG 11 2HB ARG 11 -20.616 -1.656 -5.524
77 1HG ARG 11 1HG ARG 11 -21.828 -2.068 -2.840
78 2HG ARG 11 2HG ARG 11 -22.460 -2.980 -4.212
79 1HD ARG 11 1HD ARG 11 -20.440 -4.072 -4.576
80 2HD ARG 11 2HD ARG 11 -19.512 -2.860 -3.692
81 HE ARG 11 HE ARG 11 -19.888 -4.048 -1.784
82 1HH1 ARG 11 1HH1 ARG 11 -22.264 -5.008 -4.148
83 2HH1 ARG 11 2HH1 ARG 11 -22.920 -6.272 -3.164
84 1HH2 ARG 11 1HH2 ARG 11 -20.748 -5.708 -0.484
85 2HH2 ARG 11 2HH2 ARG 11 -22.056 -6.668 -1.084
86 H GLN 12 H GLN 12 -21.704 1.912 -5.040
87 HA GLN 12 HA GLN 12 -19.940 2.260 -7.196
88 1HB GLN 12 1HB GLN 12 -22.172 3.132 -7.392
89 2HB GLN 12 2HB GLN 12 -21.956 4.132 -5.960
90 1HG GLN 12 1HG GLN 12 -20.016 4.648 -8.084
91 2HG GLN 12 2HG GLN 12 -21.688 4.976 -8.532
92 1HE2 GLN 12 1HE2 GLN 12 -22.080 7.056 -8.340
93 2HE2 GLN 12 2HE2 GLN 12 -21.576 8.072 -7.036
94 H ARG 13 H ARG 13 -20.348 3.972 -4.132
95 HA ARG 13 HA ARG 13 -18.000 5.584 -4.496
96 1HB ARG 13 1HB ARG 13 -20.048 5.216 -2.372
97 2HB ARG 13 2HB ARG 13 -18.496 5.880 -1.892
98 1HG ARG 13 1HG ARG 13 -18.992 7.424 -4.020
99 2HG ARG 13 2HG ARG 13 -20.644 7.068 -3.516
100 1HD ARG 13 1HD ARG 13 -19.756 9.128 -2.492
101 2HD ARG 13 2HD ARG 13 -20.188 7.904 -1.300
102 HE ARG 13 HE ARG 13 -17.428 7.820 -2.064
103 1HH1 ARG 13 1HH1 ARG 13 -19.744 9.332 0.056
104 2HH1 ARG 13 2HH1 ARG 13 -18.564 9.760 1.248
105 1HH2 ARG 13 1HH2 ARG 13 -15.872 8.384 -0.496
106 2HH2 ARG 13 2HH2 ARG 13 -16.368 9.224 0.932
107 H LEU 14 H LEU 14 -18.772 2.532 -2.968
108 HA LEU 14 HA LEU 14 -16.308 2.392 -1.508
109 1HB LEU 14 1HB LEU 14 -18.332 1.344 -0.652
110 2HB LEU 14 2HB LEU 14 -18.364 0.276 -2.040
111 HG LEU 14 HG LEU 14 -16.648 -1.044 -1.264
112 1HD1 LEU 14 1HD1 LEU 14 -15.732 1.384 0.220
113 2HD1 LEU 14 2HD1 LEU 14 -14.880 0.436 -0.992
114 3HD1 LEU 14 3HD1 LEU 14 -15.128 -0.220 0.628
115 1HD2 LEU 14 1HD2 LEU 14 -17.084 -1.552 1.052
116 2HD2 LEU 14 2HD2 LEU 14 -18.596 -1.148 0.252
117 3HD2 LEU 14 3HD2 LEU 14 -17.808 0.032 1.300
118 H ALA 15 H ALA 15 -17.624 0.468 -4.204
119 HA ALA 15 HA ALA 15 -15.304 -0.996 -4.700
120 1HB ALA 15 1HB ALA 15 -17.300 -0.200 -6.804
121 2HB ALA 15 2HB ALA 15 -17.600 -1.452 -5.600
122 3HB ALA 15 3HB ALA 15 -16.288 -1.644 -6.760
123 H GLU 16 H GLU 16 -16.344 2.124 -6.012
124 HA GLU 16 HA GLU 16 -14.380 2.440 -7.964
125 1HB GLU 16 1HB GLU 16 -14.860 4.800 -7.884
126 2HB GLU 16 2HB GLU 16 -16.364 3.916 -7.676
127 1HG GLU 16 1HG GLU 16 -16.572 5.540 -6.084
128 2HG GLU 16 2HG GLU 16 -15.868 4.224 -5.144
129 H LEU 17 H LEU 17 -14.296 3.176 -4.508
130 HA LEU 17 HA LEU 17 -11.716 4.380 -4.568
131 1HB LEU 17 1HB LEU 17 -13.656 4.444 -2.768
132 2HB LEU 17 2HB LEU 17 -12.772 3.088 -2.100
133 HG LEU 17 HG LEU 17 -10.752 4.500 -1.944
134 1HD1 LEU 17 1HD1 LEU 17 -12.600 6.552 -3.108
135 2HD1 LEU 17 2HD1 LEU 17 -10.976 6.104 -3.624
136 3HD1 LEU 17 3HD1 LEU 17 -11.208 7.012 -2.132
137 1HD2 LEU 17 1HD2 LEU 17 -13.280 5.088 -0.524
138 2HD2 LEU 17 2HD2 LEU 17 -11.948 6.220 -0.292
139 3HD2 LEU 17 3HD2 LEU 17 -11.736 4.512 0.100
140 H GLN 18 H GLN 18 -12.888 1.180 -3.568
141 HA GLN 18 HA GLN 18 -10.368 0.112 -2.924
142 1HB GLN 18 1HB GLN 18 -12.692 -1.496 -3.964
143 2HB GLN 18 2HB GLN 18 -11.432 -2.008 -2.852
144 1HG GLN 18 1HG GLN 18 -12.632 0.164 -1.608
145 2HG GLN 18 2HG GLN 18 -13.964 -0.740 -2.320
146 1HE2 GLN 18 1HE2 GLN 18 -11.424 -0.744 0.028
147 2HE2 GLN 18 2HE2 GLN 18 -11.908 -2.180 0.856
148 H ALA 19 H ALA 19 -11.816 0.820 -5.940
149 HA ALA 19 HA ALA 19 -9.784 -0.808 -7.328
150 1HB ALA 19 1HB ALA 19 -12.232 0.140 -8.736
151 2HB ALA 19 2HB ALA 19 -12.344 -1.252 -7.656
152 3HB ALA 19 3HB ALA 19 -11.240 -1.288 -9.032
153 H LYS 20 H LYS 20 -9.416 1.856 -6.252
154 HA LYS 20 HA LYS 20 -9.216 3.464 -8.708
155 1HB LYS 20 1HB LYS 20 -10.280 4.208 -6.356
156 2HB LYS 20 2HB LYS 20 -8.612 4.680 -6.068
157 1HG LYS 20 1HG LYS 20 -10.024 5.516 -8.568
158 2HG LYS 20 2HG LYS 20 -10.252 6.400 -7.056
159 1HD LYS 20 1HD LYS 20 -7.672 6.452 -6.968
160 2HD LYS 20 2HD LYS 20 -7.756 6.040 -8.680
161 1HE LYS 20 1HE LYS 20 -7.608 8.400 -8.572
162 2HE LYS 20 2HE LYS 20 -9.284 8.020 -8.968
163 1HZ LYS 20 1HZ LYS 20 -9.416 8.112 -6.316
164 2HZ LYS 20 2HZ LYS 20 -9.676 9.460 -7.300
165 3HZ LYS 20 3HZ LYS 20 -8.168 9.224 -6.568
166 H HIS 21 H HIS 21 -7.368 2.268 -5.948
167 HA HIS 21 HA HIS 21 -5.136 1.992 -5.604
168 1HB HIS 21 1HB HIS 21 -5.404 1.860 -8.564
169 2HB HIS 21 2HB HIS 21 -3.776 2.044 -7.904
170 HD1 HIS 21 HD1 HIS 21 -6.108 0.064 -5.844
171 HD2 HIS 21 HD2 HIS 21 -3.304 -0.624 -8.832
172 HE1 HIS 21 HE1 HIS 21 -5.664 -2.412 -5.792
173 HE2 HIS 21 HE2 HIS 21 -4.028 -2.816 -7.668
174 H GLY 22 H GLY 22 -5.144 4.076 -4.536
175 1HA GLY 22 1HA GLY 22 -3.368 5.960 -5.916
176 2HA GLY 22 2HA GLY 22 -4.876 6.572 -5.252
177 H ASP 23 H ASP 23 -3.964 7.924 -3.740
178 HA ASP 23 HA ASP 23 -2.728 6.564 -1.456
179 1HB ASP 23 1HB ASP 23 -1.588 8.788 -3.068
180 2HB ASP 23 2HB ASP 23 -1.396 8.884 -1.316
181 HA PRO 24 HA PRO 24 -5.640 8.884 0.904
182 1HB PRO 24 1HB PRO 24 -4.348 9.072 3.284
183 2HB PRO 24 2HB PRO 24 -5.064 7.564 2.696
184 1HG PRO 24 1HG PRO 24 -2.212 8.468 2.608
185 2HG PRO 24 2HG PRO 24 -2.868 6.876 3.024
186 1HD PRO 24 1HD PRO 24 -1.820 7.428 0.588
187 2HD PRO 24 2HD PRO 24 -3.156 6.272 0.816
188 H GLY 25 H GLY 25 -2.272 9.992 1.260
189 1HA GLY 25 1HA GLY 25 -1.628 12.212 0.592
190 2HA GLY 25 2HA GLY 25 -3.252 12.756 0.984
191 H ASP 26 H ASP 26 -0.840 10.872 2.808
192 HA ASP 26 HA ASP 26 -0.808 13.008 4.828
193 1HB ASP 26 1HB ASP 26 -1.404 10.092 5.232
194 2HB ASP 26 2HB ASP 26 -0.652 11.024 6.520
Start of MODEL 18
1 H SER 1 H SER 1 -36.356 -2.312 -2.000
2 HA SER 1 HA SER 1 -34.144 -2.568 -2.972
3 1HB SER 1 1HB SER 1 -35.052 -0.196 -4.636
4 2HB SER 1 2HB SER 1 -33.448 -0.940 -4.652
5 HG SER 1 HG SER 1 -35.508 -1.580 -6.136
6 H ALA 2 H ALA 2 -34.588 -2.028 -0.640
7 HA ALA 2 HA ALA 2 -34.244 0.776 0.068
8 1HB ALA 2 1HB ALA 2 -34.136 -0.364 2.420
9 2HB ALA 2 2HB ALA 2 -34.772 -1.760 1.548
10 3HB ALA 2 3HB ALA 2 -35.676 -0.244 1.568
11 H ASP 3 H ASP 3 -32.636 -2.288 0.788
12 HA ASP 3 HA ASP 3 -30.144 -1.008 1.496
13 1HB ASP 3 1HB ASP 3 -30.856 -3.016 2.692
14 2HB ASP 3 2HB ASP 3 -30.948 -3.908 1.164
15 H GLU 4 H GLU 4 -31.540 -2.844 -1.120
16 HA GLU 4 HA GLU 4 -29.332 -3.404 -2.684
17 1HB GLU 4 1HB GLU 4 -31.304 -4.428 -3.324
18 2HB GLU 4 2HB GLU 4 -32.236 -2.940 -3.204
19 1HG GLU 4 1HG GLU 4 -31.176 -2.116 -5.252
20 2HG GLU 4 2HG GLU 4 -30.236 -3.608 -5.364
21 H GLU 5 H GLU 5 -31.540 -0.616 -3.000
22 HA GLU 5 HA GLU 5 -30.244 0.748 -5.020
23 1HB GLU 5 1HB GLU 5 -32.400 1.248 -3.516
24 2HB GLU 5 2HB GLU 5 -31.268 2.340 -2.736
25 1HG GLU 5 1HG GLU 5 -31.776 2.336 -5.696
26 2HG GLU 5 2HG GLU 5 -32.676 3.340 -4.560
27 H LEU 6 H LEU 6 -29.800 1.176 -1.524
28 HA LEU 6 HA LEU 6 -27.648 2.936 -1.620
29 1HB LEU 6 1HB LEU 6 -29.088 1.600 0.364
30 2HB LEU 6 2HB LEU 6 -27.436 1.016 0.536
31 HG LEU 6 HG LEU 6 -26.624 3.276 0.852
32 1HD1 LEU 6 1HD1 LEU 6 -29.460 4.044 0.240
33 2HD1 LEU 6 2HD1 LEU 6 -27.976 4.596 -0.536
34 3HD1 LEU 6 3HD1 LEU 6 -28.356 5.120 1.104
35 1HD2 LEU 6 1HD2 LEU 6 -27.236 3.408 3.024
36 2HD2 LEU 6 2HD2 LEU 6 -28.000 1.856 2.672
37 3HD2 LEU 6 3HD2 LEU 6 -28.960 3.336 2.656
38 H GLU 7 H GLU 7 -27.908 -0.516 -1.824
39 HA GLU 7 HA GLU 7 -25.276 -1.224 -1.416
40 1HB GLU 7 1HB GLU 7 -27.520 -2.600 -2.092
41 2HB GLU 7 2HB GLU 7 -26.624 -2.688 -3.600
42 1HG GLU 7 1HG GLU 7 -24.948 -3.960 -2.696
43 2HG GLU 7 2HG GLU 7 -25.232 -3.364 -1.064
44 H ALA 8 H ALA 8 -26.864 0.008 -4.280
45 HA ALA 8 HA ALA 8 -24.576 -0.220 -5.996
46 1HB ALA 8 1HB ALA 8 -26.412 1.804 -6.868
47 2HB ALA 8 2HB ALA 8 -27.308 0.392 -6.312
48 3HB ALA 8 3HB ALA 8 -26.088 0.220 -7.576
49 H LEU 9 H LEU 9 -25.912 2.104 -3.808
50 HA LEU 9 HA LEU 9 -24.340 4.332 -4.624
51 1HB LEU 9 1HB LEU 9 -26.524 4.560 -3.500
52 2HB LEU 9 2HB LEU 9 -25.848 3.828 -2.052
53 HG LEU 9 HG LEU 9 -24.588 5.720 -1.536
54 1HD1 LEU 9 1HD1 LEU 9 -24.532 7.632 -3.352
55 2HD1 LEU 9 2HD1 LEU 9 -24.728 6.264 -4.448
56 3HD1 LEU 9 3HD1 LEU 9 -23.348 6.320 -3.348
57 1HD2 LEU 9 1HD2 LEU 9 -26.716 7.292 -2.836
58 2HD2 LEU 9 2HD2 LEU 9 -26.204 7.252 -1.152
59 3HD2 LEU 9 3HD2 LEU 9 -27.252 5.980 -1.792
60 H ARG 10 H ARG 10 -24.200 1.996 -2.036
61 HA ARG 10 HA ARG 10 -21.804 3.084 -0.876
62 1HB ARG 10 1HB ARG 10 -22.716 0.316 -0.260
63 2HB ARG 10 2HB ARG 10 -22.124 1.568 0.824
64 1HG ARG 10 1HG ARG 10 -24.600 2.424 -0.304
65 2HG ARG 10 2HG ARG 10 -24.808 0.796 0.332
66 1HD ARG 10 1HD ARG 10 -23.300 2.464 2.144
67 2HD ARG 10 2HD ARG 10 -24.836 3.212 1.712
68 HE ARG 10 HE ARG 10 -25.940 1.556 2.868
69 1HH1 ARG 10 1HH1 ARG 10 -22.584 0.672 2.512
70 2HH1 ARG 10 2HH1 ARG 10 -22.692 -0.664 3.608
71 1HH2 ARG 10 1HH2 ARG 10 -26.084 -0.196 4.308
72 2HH2 ARG 10 2HH2 ARG 10 -24.680 -1.156 4.628
73 H ARG 11 H ARG 11 -22.616 0.676 -3.248
74 HA ARG 11 HA ARG 11 -19.948 -0.440 -3.208
75 1HB ARG 11 1HB ARG 11 -21.972 -1.808 -3.788
76 2HB ARG 11 2HB ARG 11 -22.136 -0.844 -5.252
77 1HG ARG 11 1HG ARG 11 -21.016 -2.668 -6.056
78 2HG ARG 11 2HG ARG 11 -19.668 -1.600 -5.668
79 1HD ARG 11 1HD ARG 11 -19.744 -2.776 -3.352
80 2HD ARG 11 2HD ARG 11 -20.636 -4.028 -4.216
81 HE ARG 11 HE ARG 11 -18.372 -3.524 -5.712
82 1HH1 ARG 11 1HH1 ARG 11 -19.096 -4.652 -2.492
83 2HH1 ARG 11 2HH1 ARG 11 -17.664 -5.616 -2.376
84 1HH2 ARG 11 1HH2 ARG 11 -16.492 -4.796 -5.560
85 2HH2 ARG 11 2HH2 ARG 11 -16.188 -5.700 -4.112
86 H GLN 12 H GLN 12 -21.808 1.940 -4.924
87 HA GLN 12 HA GLN 12 -19.996 2.220 -7.048
88 1HB GLN 12 1HB GLN 12 -22.220 3.112 -7.308
89 2HB GLN 12 2HB GLN 12 -22.016 4.144 -5.900
90 1HG GLN 12 1HG GLN 12 -20.932 5.728 -7.056
91 2HG GLN 12 2HG GLN 12 -20.052 4.560 -8.040
92 1HE2 GLN 12 1HE2 GLN 12 -23.528 5.016 -7.588
93 2HE2 GLN 12 2HE2 GLN 12 -23.884 5.328 -9.252
94 H ARG 13 H ARG 13 -20.456 3.992 -4.032
95 HA ARG 13 HA ARG 13 -18.092 5.576 -4.368
96 1HB ARG 13 1HB ARG 13 -20.376 5.660 -2.732
97 2HB ARG 13 2HB ARG 13 -19.020 5.440 -1.640
98 1HG ARG 13 1HG ARG 13 -18.988 7.548 -3.764
99 2HG ARG 13 2HG ARG 13 -19.740 7.824 -2.196
100 1HD ARG 13 1HD ARG 13 -16.916 6.840 -2.468
101 2HD ARG 13 2HD ARG 13 -17.320 8.560 -2.468
102 HE ARG 13 HE ARG 13 -17.308 6.776 -0.212
103 1HH1 ARG 13 1HH1 ARG 13 -18.608 9.744 -1.508
104 2HH1 ARG 13 2HH1 ARG 13 -18.944 10.424 0.048
105 1HH2 ARG 13 1HH2 ARG 13 -17.748 7.668 1.836
106 2HH2 ARG 13 2HH2 ARG 13 -18.456 9.244 1.948
107 H LEU 14 H LEU 14 -18.916 2.548 -2.800
108 HA LEU 14 HA LEU 14 -16.480 2.428 -1.292
109 1HB LEU 14 1HB LEU 14 -18.512 1.392 -0.448
110 2HB LEU 14 2HB LEU 14 -18.544 0.320 -1.828
111 HG LEU 14 HG LEU 14 -16.812 -0.992 -1.044
112 1HD1 LEU 14 1HD1 LEU 14 -15.208 -0.324 0.652
113 2HD1 LEU 14 2HD1 LEU 14 -16.020 1.232 0.824
114 3HD1 LEU 14 3HD1 LEU 14 -15.216 0.820 -0.692
115 1HD2 LEU 14 1HD2 LEU 14 -17.224 -1.092 1.552
116 2HD2 LEU 14 2HD2 LEU 14 -18.468 -1.600 0.412
117 3HD2 LEU 14 3HD2 LEU 14 -18.552 -0.004 1.152
118 H ALA 15 H ALA 15 -17.760 0.464 -3.972
119 HA ALA 15 HA ALA 15 -15.408 -0.984 -4.416
120 1HB ALA 15 1HB ALA 15 -17.416 -0.296 -6.544
121 2HB ALA 15 2HB ALA 15 -17.704 -1.504 -5.296
122 3HB ALA 15 3HB ALA 15 -16.384 -1.724 -6.440
123 H GLU 16 H GLU 16 -16.344 2.216 -5.416
124 HA GLU 16 HA GLU 16 -14.636 2.600 -7.584
125 1HB GLU 16 1HB GLU 16 -16.084 4.316 -5.688
126 2HB GLU 16 2HB GLU 16 -14.656 5.064 -6.388
127 1HG GLU 16 1HG GLU 16 -15.492 4.728 -8.608
128 2HG GLU 16 2HG GLU 16 -16.852 3.788 -8.000
129 H LEU 17 H LEU 17 -14.060 3.312 -4.140
130 HA LEU 17 HA LEU 17 -11.288 3.936 -4.620
131 1HB LEU 17 1HB LEU 17 -13.008 4.732 -2.728
132 2HB LEU 17 2HB LEU 17 -12.272 3.388 -1.876
133 HG LEU 17 HG LEU 17 -10.032 4.584 -2.648
134 1HD1 LEU 17 1HD1 LEU 17 -10.756 6.396 -3.876
135 2HD1 LEU 17 2HD1 LEU 17 -10.528 7.108 -2.280
136 3HD1 LEU 17 3HD1 LEU 17 -12.148 6.684 -2.832
137 1HD2 LEU 17 1HD2 LEU 17 -10.460 6.064 -0.464
138 2HD2 LEU 17 2HD2 LEU 17 -10.136 4.332 -0.400
139 3HD2 LEU 17 3HD2 LEU 17 -11.796 4.924 -0.300
140 H GLN 18 H GLN 18 -13.124 1.248 -3.256
141 HA GLN 18 HA GLN 18 -10.992 -0.264 -2.284
142 1HB GLN 18 1HB GLN 18 -13.780 -0.844 -3.136
143 2HB GLN 18 2HB GLN 18 -12.688 -2.212 -2.972
144 1HG GLN 18 1HG GLN 18 -12.168 -1.332 -0.652
145 2HG GLN 18 2HG GLN 18 -13.548 -0.260 -0.868
146 1HE2 GLN 18 1HE2 GLN 18 -15.220 -1.988 -2.284
147 2HE2 GLN 18 2HE2 GLN 18 -15.720 -3.260 -1.224
148 H ALA 19 H ALA 19 -12.044 0.320 -5.520
149 HA ALA 19 HA ALA 19 -10.340 -1.844 -6.540
150 1HB ALA 19 1HB ALA 19 -12.536 -0.232 -7.800
151 2HB ALA 19 2HB ALA 19 -12.476 -1.972 -7.520
152 3HB ALA 19 3HB ALA 19 -11.440 -1.236 -8.748
153 H LYS 20 H LYS 20 -9.220 0.564 -5.396
154 HA LYS 20 HA LYS 20 -8.092 1.872 -7.772
155 1HB LYS 20 1HB LYS 20 -8.356 2.744 -4.904
156 2HB LYS 20 2HB LYS 20 -7.240 3.540 -6.004
157 1HG LYS 20 1HG LYS 20 -10.088 3.216 -6.816
158 2HG LYS 20 2HG LYS 20 -9.656 4.464 -5.648
159 1HD LYS 20 1HD LYS 20 -8.008 4.272 -8.104
160 2HD LYS 20 2HD LYS 20 -9.648 4.900 -8.276
161 1HE LYS 20 1HE LYS 20 -8.064 6.712 -7.912
162 2HE LYS 20 2HE LYS 20 -9.180 6.576 -6.552
163 1HZ LYS 20 1HZ LYS 20 -7.512 5.524 -5.252
164 2HZ LYS 20 2HZ LYS 20 -6.816 6.908 -5.924
165 3HZ LYS 20 3HZ LYS 20 -6.460 5.388 -6.572
166 H HIS 21 H HIS 21 -6.832 1.348 -4.488
167 HA HIS 21 HA HIS 21 -4.292 0.500 -5.680
168 1HB HIS 21 1HB HIS 21 -4.404 2.392 -3.984
169 2HB HIS 21 2HB HIS 21 -4.796 1.164 -2.776
170 HD1 HIS 21 HD1 HIS 21 -2.440 2.272 -1.824
171 HD2 HIS 21 HD2 HIS 21 -2.204 -0.292 -5.076
172 HE1 HIS 21 HE1 HIS 21 -0.044 1.516 -1.912
173 HE2 HIS 21 HE2 HIS 21 0.056 -0.100 -3.836
174 H GLY 22 H GLY 22 -6.504 -1.308 -5.648
175 1HA GLY 22 1HA GLY 22 -5.328 -3.408 -3.948
176 2HA GLY 22 2HA GLY 22 -7.068 -3.148 -3.936
177 H ASP 23 H ASP 23 -6.316 -5.608 -4.544
178 HA ASP 23 HA ASP 23 -6.528 -7.272 -6.080
179 1HB ASP 23 1HB ASP 23 -7.880 -5.052 -7.624
180 2HB ASP 23 2HB ASP 23 -7.860 -6.740 -8.144
181 HA PRO 24 HA PRO 24 -2.544 -5.840 -8.028
182 1HB PRO 24 1HB PRO 24 -2.160 -8.780 -7.700
183 2HB PRO 24 2HB PRO 24 -1.036 -7.452 -7.380
184 1HG PRO 24 1HG PRO 24 -2.260 -8.708 -5.376
185 2HG PRO 24 2HG PRO 24 -2.004 -6.952 -5.332
186 1HD PRO 24 1HD PRO 24 -4.500 -8.496 -5.884
187 2HD PRO 24 2HD PRO 24 -4.288 -6.952 -5.032
188 H GLY 25 H GLY 25 -4.020 -9.028 -8.700
189 1HA GLY 25 1HA GLY 25 -4.180 -8.268 -11.536
190 2HA GLY 25 2HA GLY 25 -3.372 -9.764 -11.092
191 H ASP 26 H ASP 26 -6.128 -8.644 -12.328
192 HA ASP 26 HA ASP 26 -7.676 -10.904 -11.264
193 1HB ASP 26 1HB ASP 26 -8.300 -8.396 -10.544
194 2HB ASP 26 2HB ASP 26 -9.184 -8.472 -12.068
Start of MODEL 19
1 H SER 1 H SER 1 -36.572 -0.784 -3.516
2 HA SER 1 HA SER 1 -34.000 -2.192 -3.248
3 1HB SER 1 1HB SER 1 -34.676 0.356 -4.732
4 2HB SER 1 2HB SER 1 -33.248 -0.668 -4.916
5 HG SER 1 HG SER 1 -34.312 -1.836 -6.292
6 H ALA 2 H ALA 2 -34.464 -1.764 -0.896
7 HA ALA 2 HA ALA 2 -34.064 0.992 -0.044
8 1HB ALA 2 1HB ALA 2 -34.668 -1.604 1.300
9 2HB ALA 2 2HB ALA 2 -35.540 -0.072 1.388
10 3HB ALA 2 3HB ALA 2 -34.012 -0.272 2.248
11 H ASP 3 H ASP 3 -32.536 -2.140 0.536
12 HA ASP 3 HA ASP 3 -30.024 -0.956 1.340
13 1HB ASP 3 1HB ASP 3 -30.796 -3.008 2.420
14 2HB ASP 3 2HB ASP 3 -30.892 -3.816 0.848
15 H GLU 4 H GLU 4 -31.428 -2.632 -1.380
16 HA GLU 4 HA GLU 4 -29.212 -3.160 -2.948
17 1HB GLU 4 1HB GLU 4 -31.204 -4.100 -3.668
18 2HB GLU 4 2HB GLU 4 -32.096 -2.596 -3.476
19 1HG GLU 4 1HG GLU 4 -31.000 -1.696 -5.468
20 2HG GLU 4 2HG GLU 4 -30.088 -3.196 -5.648
21 H GLU 5 H GLU 5 -31.352 -0.304 -3.144
22 HA GLU 5 HA GLU 5 -30.000 1.132 -5.076
23 1HB GLU 5 1HB GLU 5 -32.160 1.604 -3.576
24 2HB GLU 5 2HB GLU 5 -31.012 2.624 -2.724
25 1HG GLU 5 1HG GLU 5 -31.488 2.792 -5.684
26 2HG GLU 5 2HG GLU 5 -32.372 3.756 -4.504
27 H LEU 6 H LEU 6 -29.592 1.360 -1.560
28 HA LEU 6 HA LEU 6 -27.400 3.076 -1.532
29 1HB LEU 6 1HB LEU 6 -28.848 1.492 0.340
30 2HB LEU 6 2HB LEU 6 -27.136 1.124 0.536
31 HG LEU 6 HG LEU 6 -28.520 3.784 0.872
32 1HD1 LEU 6 1HD1 LEU 6 -27.968 3.628 3.096
33 2HD1 LEU 6 2HD1 LEU 6 -26.628 2.516 2.800
34 3HD1 LEU 6 3HD1 LEU 6 -28.292 1.940 2.700
35 1HD2 LEU 6 1HD2 LEU 6 -25.860 4.164 1.524
36 2HD2 LEU 6 2HD2 LEU 6 -26.688 4.780 0.092
37 3HD2 LEU 6 3HD2 LEU 6 -25.800 3.260 0.012
38 H GLU 7 H GLU 7 -27.728 -0.360 -1.916
39 HA GLU 7 HA GLU 7 -25.116 -1.144 -1.540
40 1HB GLU 7 1HB GLU 7 -27.392 -2.432 -2.280
41 2HB GLU 7 2HB GLU 7 -26.488 -2.476 -3.788
42 1HG GLU 7 1HG GLU 7 -24.668 -3.620 -2.740
43 2HG GLU 7 2HG GLU 7 -25.404 -3.428 -1.152
44 H ALA 8 H ALA 8 -26.660 0.284 -4.340
45 HA ALA 8 HA ALA 8 -24.380 0.060 -6.068
46 1HB ALA 8 1HB ALA 8 -27.060 0.692 -6.412
47 2HB ALA 8 2HB ALA 8 -25.800 0.772 -7.644
48 3HB ALA 8 3HB ALA 8 -26.220 2.212 -6.716
49 H LEU 9 H LEU 9 -25.640 2.296 -3.748
50 HA LEU 9 HA LEU 9 -23.992 4.516 -4.408
51 1HB LEU 9 1HB LEU 9 -26.144 4.736 -3.232
52 2HB LEU 9 2HB LEU 9 -25.492 3.852 -1.864
53 HG LEU 9 HG LEU 9 -24.140 5.636 -1.196
54 1HD1 LEU 9 1HD1 LEU 9 -22.900 6.356 -2.964
55 2HD1 LEU 9 2HD1 LEU 9 -24.040 7.700 -2.848
56 3HD1 LEU 9 3HD1 LEU 9 -24.288 6.432 -4.052
57 1HD2 LEU 9 1HD2 LEU 9 -26.048 6.572 -0.496
58 2HD2 LEU 9 2HD2 LEU 9 -26.852 6.328 -2.044
59 3HD2 LEU 9 3HD2 LEU 9 -25.792 7.716 -1.808
60 H ARG 10 H ARG 10 -23.872 1.936 -2.068
61 HA ARG 10 HA ARG 10 -21.432 2.844 -0.840
62 1HB ARG 10 1HB ARG 10 -22.404 0.048 -0.512
63 2HB ARG 10 2HB ARG 10 -21.756 1.156 0.692
64 1HG ARG 10 1HG ARG 10 -24.232 2.176 -0.296
65 2HG ARG 10 2HG ARG 10 -24.460 0.508 0.208
66 1HD ARG 10 1HD ARG 10 -22.872 2.108 2.064
67 2HD ARG 10 2HD ARG 10 -24.504 2.732 1.804
68 HE ARG 10 HE ARG 10 -24.440 -0.088 2.320
69 1HH1 ARG 10 1HH1 ARG 10 -24.452 3.064 3.808
70 2HH1 ARG 10 2HH1 ARG 10 -25.128 2.496 5.300
71 1HH2 ARG 10 1HH2 ARG 10 -25.332 -0.836 4.276
72 2HH2 ARG 10 2HH2 ARG 10 -25.628 0.284 5.564
73 H ARG 11 H ARG 11 -22.352 0.692 -3.416
74 HA ARG 11 HA ARG 11 -19.704 -0.452 -3.568
75 1HB ARG 11 1HB ARG 11 -22.148 -0.684 -5.328
76 2HB ARG 11 2HB ARG 11 -20.612 -1.444 -5.720
77 1HG ARG 11 1HG ARG 11 -22.020 -1.960 -3.124
78 2HG ARG 11 2HG ARG 11 -22.368 -2.884 -4.584
79 1HD ARG 11 1HD ARG 11 -19.796 -3.220 -4.676
80 2HD ARG 11 2HD ARG 11 -19.852 -2.768 -2.972
81 HE ARG 11 HE ARG 11 -21.736 -4.816 -3.608
82 1HH1 ARG 11 1HH1 ARG 11 -18.372 -4.220 -2.888
83 2HH1 ARG 11 2HH1 ARG 11 -18.092 -5.816 -2.280
84 1HH2 ARG 11 1HH2 ARG 11 -21.368 -6.916 -2.804
85 2HH2 ARG 11 2HH2 ARG 11 -19.792 -7.344 -2.232
86 H GLN 12 H GLN 12 -21.576 2.116 -4.984
87 HA GLN 12 HA GLN 12 -19.856 2.560 -7.148
88 1HB GLN 12 1HB GLN 12 -22.052 3.560 -7.172
89 2HB GLN 12 2HB GLN 12 -21.712 4.440 -5.692
90 1HG GLN 12 1HG GLN 12 -21.048 6.160 -6.904
91 2HG GLN 12 2HG GLN 12 -19.720 5.184 -7.524
92 1HE2 GLN 12 1HE2 GLN 12 -19.896 6.412 -9.468
93 2HE2 GLN 12 2HE2 GLN 12 -21.112 6.028 -10.636
94 H ARG 13 H ARG 13 -20.072 4.028 -3.948
95 HA ARG 13 HA ARG 13 -17.652 5.532 -4.256
96 1HB ARG 13 1HB ARG 13 -19.436 4.968 -1.892
97 2HB ARG 13 2HB ARG 13 -17.980 5.940 -1.776
98 1HG ARG 13 1HG ARG 13 -18.860 7.648 -3.080
99 2HG ARG 13 2HG ARG 13 -20.116 6.608 -3.760
100 1HD ARG 13 1HD ARG 13 -21.076 8.152 -2.156
101 2HD ARG 13 2HD ARG 13 -21.200 6.496 -1.564
102 HE ARG 13 HE ARG 13 -18.864 7.880 -0.628
103 1HH1 ARG 13 1HH1 ARG 13 -22.252 7.288 -0.048
104 2HH1 ARG 13 2HH1 ARG 13 -22.156 7.640 1.644
105 1HH2 ARG 13 1HH2 ARG 13 -18.732 8.348 1.600
106 2HH2 ARG 13 2HH2 ARG 13 -20.156 8.244 2.580
107 H LEU 14 H LEU 14 -18.572 2.452 -2.812
108 HA LEU 14 HA LEU 14 -16.036 2.088 -1.536
109 1HB LEU 14 1HB LEU 14 -18.140 1.180 -0.620
110 2HB LEU 14 2HB LEU 14 -18.220 0.076 -1.980
111 HG LEU 14 HG LEU 14 -17.360 -0.888 0.192
112 1HD1 LEU 14 1HD1 LEU 14 -16.936 -1.720 -2.228
113 2HD1 LEU 14 2HD1 LEU 14 -15.988 -2.388 -0.900
114 3HD1 LEU 14 3HD1 LEU 14 -15.288 -1.156 -1.948
115 1HD2 LEU 14 1HD2 LEU 14 -14.936 0.760 -0.524
116 2HD2 LEU 14 2HD2 LEU 14 -15.012 -0.472 0.736
117 3HD2 LEU 14 3HD2 LEU 14 -15.976 0.996 0.880
118 H ALA 15 H ALA 15 -17.652 0.328 -4.188
119 HA ALA 15 HA ALA 15 -15.500 -1.300 -4.856
120 1HB ALA 15 1HB ALA 15 -17.404 -0.252 -6.924
121 2HB ALA 15 2HB ALA 15 -17.908 -1.408 -5.692
122 3HB ALA 15 3HB ALA 15 -16.632 -1.836 -6.828
123 H GLU 16 H GLU 16 -16.104 2.040 -5.640
124 HA GLU 16 HA GLU 16 -14.132 2.196 -7.716
125 1HB GLU 16 1HB GLU 16 -15.732 4.224 -6.184
126 2HB GLU 16 2HB GLU 16 -14.428 4.728 -7.248
127 1HG GLU 16 1HG GLU 16 -16.480 2.868 -8.324
128 2HG GLU 16 2HG GLU 16 -16.924 4.556 -8.076
129 H LEU 17 H LEU 17 -14.276 3.360 -4.348
130 HA LEU 17 HA LEU 17 -11.616 4.304 -4.280
131 1HB LEU 17 1HB LEU 17 -13.712 3.692 -2.268
132 2HB LEU 17 2HB LEU 17 -12.060 3.844 -1.696
133 HG LEU 17 HG LEU 17 -12.000 6.108 -2.824
134 1HD1 LEU 17 1HD1 LEU 17 -14.200 5.396 -4.112
135 2HD1 LEU 17 2HD1 LEU 17 -13.860 7.080 -3.712
136 3HD1 LEU 17 3HD1 LEU 17 -14.964 6.140 -2.712
137 1HD2 LEU 17 1HD2 LEU 17 -13.568 5.360 -0.428
138 2HD2 LEU 17 2HD2 LEU 17 -13.708 7.024 -1.004
139 3HD2 LEU 17 3HD2 LEU 17 -12.128 6.368 -0.576
140 H GLN 18 H GLN 18 -13.072 1.236 -3.288
141 HA GLN 18 HA GLN 18 -10.804 0.060 -2.172
142 1HB GLN 18 1HB GLN 18 -13.352 -0.944 -3.328
143 2HB GLN 18 2HB GLN 18 -12.048 -2.108 -3.124
144 1HG GLN 18 1HG GLN 18 -11.932 -1.116 -0.716
145 2HG GLN 18 2HG GLN 18 -13.580 -0.600 -1.068
146 1HE2 GLN 18 1HE2 GLN 18 -12.240 -2.716 0.700
147 2HE2 GLN 18 2HE2 GLN 18 -13.176 -4.140 0.396
148 H ALA 19 H ALA 19 -11.604 0.688 -5.464
149 HA ALA 19 HA ALA 19 -9.444 -1.080 -6.392
150 1HB ALA 19 1HB ALA 19 -11.628 0.276 -7.976
151 2HB ALA 19 2HB ALA 19 -11.608 -1.416 -7.472
152 3HB ALA 19 3HB ALA 19 -10.408 -0.824 -8.620
153 H LYS 20 H LYS 20 -8.824 1.352 -5.052
154 HA LYS 20 HA LYS 20 -8.308 3.508 -6.764
155 1HB LYS 20 1HB LYS 20 -8.196 3.464 -4.224
156 2HB LYS 20 2HB LYS 20 -6.600 2.748 -4.400
157 1HG LYS 20 1HG LYS 20 -5.668 4.676 -5.220
158 2HG LYS 20 2HG LYS 20 -7.208 5.296 -5.816
159 1HD LYS 20 1HD LYS 20 -7.708 5.176 -3.160
160 2HD LYS 20 2HD LYS 20 -5.976 5.528 -3.156
161 1HE LYS 20 1HE LYS 20 -8.196 7.132 -4.396
162 2HE LYS 20 2HE LYS 20 -7.080 7.620 -3.124
163 1HZ LYS 20 1HZ LYS 20 -6.604 7.368 -6.016
164 2HZ LYS 20 2HZ LYS 20 -5.308 7.192 -4.948
165 3HZ LYS 20 3HZ LYS 20 -6.192 8.632 -4.968
166 H HIS 21 H HIS 21 -6.068 0.972 -5.640
167 HA HIS 21 HA HIS 21 -4.168 0.104 -6.544
168 1HB HIS 21 1HB HIS 21 -5.320 1.128 -9.152
169 2HB HIS 21 2HB HIS 21 -4.040 -0.076 -8.980
170 HD1 HIS 21 HD1 HIS 21 -5.972 -1.220 -6.432
171 HD2 HIS 21 HD2 HIS 21 -6.680 -1.048 -10.524
172 HE1 HIS 21 HE1 HIS 21 -7.732 -2.960 -6.884
173 HE2 HIS 21 HE2 HIS 21 -8.208 -2.776 -9.352
174 H GLY 22 H GLY 22 -2.364 1.116 -5.956
175 1HA GLY 22 1HA GLY 22 -1.528 3.464 -7.508
176 2HA GLY 22 2HA GLY 22 -1.520 3.552 -5.756
177 H ASP 23 H ASP 23 0.788 4.072 -6.212
178 HA ASP 23 HA ASP 23 2.352 1.584 -6.192
179 1HB ASP 23 1HB ASP 23 2.348 3.128 -8.400
180 2HB ASP 23 2HB ASP 23 3.624 3.936 -7.484
181 HA PRO 24 HA PRO 24 3.220 4.020 -2.360
182 1HB PRO 24 1HB PRO 24 4.376 1.340 -1.764
183 2HB PRO 24 2HB PRO 24 3.380 2.388 -0.744
184 1HG PRO 24 1HG PRO 24 2.332 0.236 -1.908
185 2HG PRO 24 2HG PRO 24 1.408 1.744 -1.788
186 1HD PRO 24 1HD PRO 24 2.788 0.548 -4.144
187 2HD PRO 24 2HD PRO 24 1.268 1.464 -4.068
188 H GLY 25 H GLY 25 4.780 5.300 -3.472
189 1HA GLY 25 1HA GLY 25 7.320 5.320 -2.668
190 2HA GLY 25 2HA GLY 25 7.408 4.136 -3.964
191 H ASP 26 H ASP 26 5.524 7.140 -3.724
192 HA ASP 26 HA ASP 26 6.796 8.020 -6.224
193 1HB ASP 26 1HB ASP 26 4.220 7.712 -5.952
194 2HB ASP 26 2HB ASP 26 4.304 9.252 -5.100
Start of MODEL 20
1 H SER 1 H SER 1 -36.300 -2.520 -2.464
2 HA SER 1 HA SER 1 -34.020 -2.836 -3.408
3 1HB SER 1 1HB SER 1 -34.632 -0.292 -4.892
4 2HB SER 1 2HB SER 1 -33.320 -1.448 -5.152
5 HG SER 1 HG SER 1 -35.096 -2.932 -5.788
6 H ALA 2 H ALA 2 -34.532 -2.392 -1.072
7 HA ALA 2 HA ALA 2 -34.260 0.384 -0.252
8 1HB ALA 2 1HB ALA 2 -34.188 -0.844 2.056
9 2HB ALA 2 2HB ALA 2 -34.776 -2.216 1.120
10 3HB ALA 2 3HB ALA 2 -35.708 -0.720 1.172
11 H ASP 3 H ASP 3 -32.612 -2.676 0.396
12 HA ASP 3 HA ASP 3 -30.164 -1.372 1.216
13 1HB ASP 3 1HB ASP 3 -30.864 -3.440 2.312
14 2HB ASP 3 2HB ASP 3 -30.904 -4.276 0.752
15 H GLU 4 H GLU 4 -31.460 -3.140 -1.500
16 HA GLU 4 HA GLU 4 -29.200 -3.596 -3.032
17 1HB GLU 4 1HB GLU 4 -31.144 -4.628 -3.756
18 2HB GLU 4 2HB GLU 4 -32.100 -3.160 -3.612
19 1HG GLU 4 1HG GLU 4 -30.988 -2.252 -5.600
20 2HG GLU 4 2HG GLU 4 -30.040 -3.732 -5.736
21 H GLU 5 H GLU 5 -31.456 -0.836 -3.296
22 HA GLU 5 HA GLU 5 -30.140 0.628 -5.228
23 1HB GLU 5 1HB GLU 5 -32.336 1.032 -3.764
24 2HB GLU 5 2HB GLU 5 -31.244 2.112 -2.912
25 1HG GLU 5 1HG GLU 5 -31.684 2.208 -5.884
26 2HG GLU 5 2HG GLU 5 -32.628 3.152 -4.732
27 H LEU 6 H LEU 6 -29.784 0.928 -1.712
28 HA LEU 6 HA LEU 6 -27.664 2.732 -1.692
29 1HB LEU 6 1HB LEU 6 -29.124 1.308 0.212
30 2HB LEU 6 2HB LEU 6 -27.472 0.728 0.396
31 HG LEU 6 HG LEU 6 -26.692 3.016 0.760
32 1HD1 LEU 6 1HD1 LEU 6 -29.384 4.136 1.088
33 2HD1 LEU 6 2HD1 LEU 6 -28.904 3.820 -0.580
34 3HD1 LEU 6 3HD1 LEU 6 -27.916 4.872 0.440
35 1HD2 LEU 6 1HD2 LEU 6 -28.392 3.396 2.832
36 2HD2 LEU 6 2HD2 LEU 6 -27.052 2.248 2.840
37 3HD2 LEU 6 3HD2 LEU 6 -28.684 1.696 2.468
38 H GLU 7 H GLU 7 -27.856 -0.720 -2.028
39 HA GLU 7 HA GLU 7 -25.224 -1.400 -1.580
40 1HB GLU 7 1HB GLU 7 -27.432 -2.780 -2.368
41 2HB GLU 7 2HB GLU 7 -26.492 -2.804 -3.852
42 1HG GLU 7 1HG GLU 7 -24.828 -4.088 -2.952
43 2HG GLU 7 2HG GLU 7 -25.148 -3.544 -1.308
44 H ALA 8 H ALA 8 -26.756 -0.060 -4.428
45 HA ALA 8 HA ALA 8 -24.428 -0.200 -6.104
46 1HB ALA 8 1HB ALA 8 -27.144 0.380 -6.472
47 2HB ALA 8 2HB ALA 8 -25.884 0.360 -7.704
48 3HB ALA 8 3HB ALA 8 -26.288 1.864 -6.876
49 H LEU 9 H LEU 9 -25.836 1.996 -3.836
50 HA LEU 9 HA LEU 9 -24.280 4.284 -4.476
51 1HB LEU 9 1HB LEU 9 -26.472 4.408 -3.352
52 2HB LEU 9 2HB LEU 9 -25.796 3.580 -1.956
53 HG LEU 9 HG LEU 9 -24.572 5.444 -1.288
54 1HD1 LEU 9 1HD1 LEU 9 -23.308 6.172 -3.040
55 2HD1 LEU 9 2HD1 LEU 9 -24.492 7.476 -2.964
56 3HD1 LEU 9 3HD1 LEU 9 -24.672 6.188 -4.160
57 1HD2 LEU 9 1HD2 LEU 9 -26.964 6.700 -2.616
58 2HD2 LEU 9 2HD2 LEU 9 -26.116 7.260 -1.176
59 3HD2 LEU 9 3HD2 LEU 9 -27.044 5.760 -1.124
60 H ARG 10 H ARG 10 -24.068 1.696 -2.156
61 HA ARG 10 HA ARG 10 -21.744 2.752 -0.836
62 1HB ARG 10 1HB ARG 10 -22.544 -0.112 -0.600
63 2HB ARG 10 2HB ARG 10 -21.972 0.996 0.644
64 1HG ARG 10 1HG ARG 10 -24.496 1.888 -0.384
65 2HG ARG 10 2HG ARG 10 -24.624 0.212 0.132
66 1HD ARG 10 1HD ARG 10 -23.144 1.796 2.036
67 2HD ARG 10 2HD ARG 10 -24.712 2.524 1.688
68 HE ARG 10 HE ARG 10 -25.748 0.752 2.720
69 1HH1 ARG 10 1HH1 ARG 10 -22.360 0.028 2.308
70 2HH1 ARG 10 2HH1 ARG 10 -22.408 -1.376 3.316
71 1HH2 ARG 10 1HH2 ARG 10 -25.812 -1.092 4.048
72 2HH2 ARG 10 2HH2 ARG 10 -24.368 -2.012 4.304
73 H ARG 11 H ARG 11 -22.420 0.564 -3.464
74 HA ARG 11 HA ARG 11 -19.676 -0.344 -3.560
75 1HB ARG 11 1HB ARG 11 -22.172 -0.924 -5.080
76 2HB ARG 11 2HB ARG 11 -20.648 -1.152 -5.920
77 1HG ARG 11 1HG ARG 11 -21.460 -3.224 -4.900
78 2HG ARG 11 2HG ARG 11 -19.904 -2.720 -4.236
79 1HD ARG 11 1HD ARG 11 -21.316 -1.568 -2.408
80 2HD ARG 11 2HD ARG 11 -22.620 -2.612 -2.972
81 HE ARG 11 HE ARG 11 -20.400 -4.224 -2.532
82 1HH1 ARG 11 1HH1 ARG 11 -22.568 -2.212 -0.684
83 2HH1 ARG 11 2HH1 ARG 11 -22.400 -3.144 0.764
84 1HH2 ARG 11 1HH2 ARG 11 -20.176 -5.452 -0.628
85 2HH2 ARG 11 2HH2 ARG 11 -21.040 -4.984 0.800
86 H GLN 12 H GLN 12 -21.736 2.056 -4.992
87 HA GLN 12 HA GLN 12 -20.016 2.684 -7.116
88 1HB GLN 12 1HB GLN 12 -22.296 3.472 -7.180
89 2HB GLN 12 2HB GLN 12 -22.076 4.368 -5.684
90 1HG GLN 12 1HG GLN 12 -20.936 6.064 -6.708
91 2HG GLN 12 2HG GLN 12 -20.336 5.028 -8.004
92 1HE2 GLN 12 1HE2 GLN 12 -21.628 4.632 -9.788
93 2HE2 GLN 12 2HE2 GLN 12 -23.032 5.572 -10.140
94 H ARG 13 H ARG 13 -20.448 4.088 -3.904
95 HA ARG 13 HA ARG 13 -18.176 5.816 -4.136
96 1HB ARG 13 1HB ARG 13 -20.404 5.612 -2.440
97 2HB ARG 13 2HB ARG 13 -19.004 5.348 -1.412
98 1HG ARG 13 1HG ARG 13 -18.104 7.476 -2.680
99 2HG ARG 13 2HG ARG 13 -19.828 7.768 -2.916
100 1HD ARG 13 1HD ARG 13 -20.188 8.212 -0.736
101 2HD ARG 13 2HD ARG 13 -19.028 7.004 -0.192
102 HE ARG 13 HE ARG 13 -18.532 9.796 -0.656
103 1HH1 ARG 13 1HH1 ARG 13 -17.088 6.624 -0.476
104 2HH1 ARG 13 2HH1 ARG 13 -15.508 7.232 -0.112
105 1HH2 ARG 13 1HH2 ARG 13 -16.460 10.596 -0.176
106 2HH2 ARG 13 2HH2 ARG 13 -15.152 9.484 0.064
107 H LEU 14 H LEU 14 -18.828 2.636 -2.768
108 HA LEU 14 HA LEU 14 -16.304 2.492 -1.420
109 1HB LEU 14 1HB LEU 14 -18.324 1.364 -0.572
110 2HB LEU 14 2HB LEU 14 -18.280 0.300 -1.964
111 HG LEU 14 HG LEU 14 -17.368 -0.632 0.208
112 1HD1 LEU 14 1HD1 LEU 14 -15.272 -0.692 -1.920
113 2HD1 LEU 14 2HD1 LEU 14 -16.868 -1.380 -2.220
114 3HD1 LEU 14 3HD1 LEU 14 -15.876 -2.000 -0.900
115 1HD2 LEU 14 1HD2 LEU 14 -15.076 1.212 -0.460
116 2HD2 LEU 14 2HD2 LEU 14 -15.072 -0.036 0.788
117 3HD2 LEU 14 3HD2 LEU 14 -16.148 1.352 0.932
118 H ALA 15 H ALA 15 -17.676 0.644 -4.144
119 HA ALA 15 HA ALA 15 -15.328 -0.724 -4.788
120 1HB ALA 15 1HB ALA 15 -17.264 0.064 -6.920
121 2HB ALA 15 2HB ALA 15 -17.752 -1.048 -5.644
122 3HB ALA 15 3HB ALA 15 -16.400 -1.456 -6.696
123 H GLU 16 H GLU 16 -16.320 2.528 -5.520
124 HA GLU 16 HA GLU 16 -14.664 3.072 -7.704
125 1HB GLU 16 1HB GLU 16 -16.112 4.644 -5.680
126 2HB GLU 16 2HB GLU 16 -14.708 5.456 -6.360
127 1HG GLU 16 1HG GLU 16 -15.584 5.212 -8.588
128 2HG GLU 16 2HG GLU 16 -16.932 4.248 -7.988
129 H LEU 17 H LEU 17 -14.040 3.584 -4.232
130 HA LEU 17 HA LEU 17 -11.292 4.296 -4.716
131 1HB LEU 17 1HB LEU 17 -12.992 4.932 -2.748
132 2HB LEU 17 2HB LEU 17 -12.212 3.556 -1.996
133 HG LEU 17 HG LEU 17 -10.000 4.784 -2.636
134 1HD1 LEU 17 1HD1 LEU 17 -11.272 6.492 -3.992
135 2HD1 LEU 17 2HD1 LEU 17 -10.116 7.136 -2.824
136 3HD1 LEU 17 3HD1 LEU 17 -11.840 7.156 -2.464
137 1HD2 LEU 17 1HD2 LEU 17 -11.872 5.200 -0.384
138 2HD2 LEU 17 2HD2 LEU 17 -10.524 6.328 -0.516
139 3HD2 LEU 17 3HD2 LEU 17 -10.216 4.592 -0.388
140 H GLN 18 H GLN 18 -13.004 1.528 -3.300
141 HA GLN 18 HA GLN 18 -10.780 0.012 -2.572
142 1HB GLN 18 1HB GLN 18 -13.628 -0.564 -3.168
143 2HB GLN 18 2HB GLN 18 -12.524 -1.932 -3.184
144 1HG GLN 18 1HG GLN 18 -11.820 -0.672 -0.876
145 2HG GLN 18 2HG GLN 18 -13.560 -0.376 -0.948
146 1HE2 GLN 18 1HE2 GLN 18 -14.336 -2.724 -2.248
147 2HE2 GLN 18 2HE2 GLN 18 -14.092 -4.052 -1.176
148 H ALA 19 H ALA 19 -12.068 0.700 -5.692
149 HA ALA 19 HA ALA 19 -10.512 -1.460 -6.916
150 1HB ALA 19 1HB ALA 19 -11.736 -0.960 -8.964
151 2HB ALA 19 2HB ALA 19 -12.528 0.400 -8.168
152 3HB ALA 19 3HB ALA 19 -12.848 -1.248 -7.620
153 H LYS 20 H LYS 20 -10.712 2.016 -6.656
154 HA LYS 20 HA LYS 20 -8.728 2.488 -8.700
155 1HB LYS 20 1HB LYS 20 -10.520 4.120 -8.296
156 2HB LYS 20 2HB LYS 20 -9.936 4.364 -6.656
157 1HG LYS 20 1HG LYS 20 -7.900 5.340 -7.464
158 2HG LYS 20 2HG LYS 20 -8.320 4.940 -9.128
159 1HD LYS 20 1HD LYS 20 -9.076 7.064 -9.176
160 2HD LYS 20 2HD LYS 20 -10.500 6.360 -8.404
161 1HE LYS 20 1HE LYS 20 -8.156 7.616 -6.976
162 2HE LYS 20 2HE LYS 20 -9.728 8.376 -7.236
163 1HZ LYS 20 1HZ LYS 20 -8.976 6.232 -5.392
164 2HZ LYS 20 2HZ LYS 20 -10.536 6.188 -6.048
165 3HZ LYS 20 3HZ LYS 20 -10.028 7.536 -5.164
166 H HIS 21 H HIS 21 -8.820 3.332 -5.232
167 HA HIS 21 HA HIS 21 -5.980 2.596 -5.060
168 1HB HIS 21 1HB HIS 21 -6.660 5.176 -5.164
169 2HB HIS 21 2HB HIS 21 -6.928 4.908 -3.440
170 HD1 HIS 21 HD1 HIS 21 -4.224 5.040 -6.024
171 HD2 HIS 21 HD2 HIS 21 -4.616 4.516 -1.924
172 HE1 HIS 21 HE1 HIS 21 -1.896 5.240 -5.096
173 HE2 HIS 21 HE2 HIS 21 -2.168 5.004 -2.608
174 H GLY 22 H GLY 22 -5.524 1.284 -3.408
175 1HA GLY 22 1HA GLY 22 -7.588 0.360 -1.680
176 2HA GLY 22 2HA GLY 22 -5.892 -0.084 -1.600
177 H ASP 23 H ASP 23 -4.424 1.432 -0.528
178 HA ASP 23 HA ASP 23 -3.800 2.664 1.280
179 1HB ASP 23 1HB ASP 23 -4.960 4.468 0.048
180 2HB ASP 23 2HB ASP 23 -6.464 4.044 0.864
181 HA PRO 24 HA PRO 24 -6.316 0.012 4.096
182 1HB PRO 24 1HB PRO 24 -4.192 -0.960 5.476
183 2HB PRO 24 2HB PRO 24 -4.756 -1.668 3.956
184 1HG PRO 24 1HG PRO 24 -2.488 0.232 4.440
185 2HG PRO 24 2HG PRO 24 -2.540 -1.204 3.404
186 1HD PRO 24 1HD PRO 24 -2.804 1.304 2.428
187 2HD PRO 24 2HD PRO 24 -3.624 -0.092 1.700
188 H GLY 25 H GLY 25 -3.432 1.904 4.988
189 1HA GLY 25 1HA GLY 25 -4.172 3.920 6.408
190 2HA GLY 25 2HA GLY 25 -4.796 2.680 7.480
191 H ASP 26 H ASP 26 -1.756 2.820 5.644
192 HA ASP 26 HA ASP 26 -0.320 2.324 8.156
193 1HB ASP 26 1HB ASP 26 -0.072 0.812 6.092
194 2HB ASP 26 2HB ASP 26 0.856 2.132 5.388
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