NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10827 | 1qfq | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 11.918 -16.284 1.485 2 2H5* G 1 2H5* G 1 12.933 -16.523 2.924 3 H4* G 1 H4* G 1 11.185 -18.811 2.378 4 H3* G 1 H3* G 1 9.961 -16.067 2.817 5 H2* G 1 H2* G 1 8.406 -17.013 4.330 6 2HO* G 1 2HO* G 1 9.233 -19.634 3.649 7 H1* G 1 H1* G 1 10.165 -18.841 5.469 8 H8 G 1 H8 G 1 11.914 -15.554 5.127 9 H1 G 1 H1 G 1 7.574 -15.635 9.863 10 1H2 G 1 1H2 G 1 6.640 -17.753 9.900 11 2H2 G 1 2H2 G 1 6.258 -18.340 8.297 12 1H5* C 2 1H5* C 2 6.433 -18.993 2.995 13 2H5* C 2 2H5* C 2 5.674 -18.425 1.490 14 H4* C 2 H4* C 2 4.001 -18.528 3.266 15 H3* C 2 H3* C 2 4.856 -15.715 2.488 16 H2* C 2 H2* C 2 3.337 -14.851 4.057 17 2HO* C 2 2HO* C 2 1.529 -16.090 3.492 18 H1* C 2 H1* C 2 3.647 -16.898 5.958 19 1H4 C 2 1H4 C 2 6.909 -12.081 8.435 20 2H4 C 2 2H4 C 2 8.130 -12.193 7.190 21 H5 C 2 H5 C 2 7.753 -13.498 5.156 22 H6 C 2 H6 C 2 6.619 -15.498 4.305 23 1H5* C 3 1H5* C 3 0.322 -13.944 1.623 24 2H5* C 3 2H5* C 3 1.324 -12.534 1.996 25 H4* C 3 H4* C 3 -0.104 -14.421 3.829 26 H3* C 3 H3* C 3 0.395 -11.442 3.685 27 H2* C 3 H2* C 3 0.237 -11.278 6.016 28 2HO* C 3 2HO* C 3 -0.780 -13.925 6.072 29 H1* C 3 H1* C 3 1.508 -13.678 6.619 30 1H4 C 3 1H4 C 3 5.775 -8.945 7.207 31 2H4 C 3 2H4 C 3 6.186 -9.118 5.516 32 H5 C 3 H5 C 3 5.163 -10.832 4.122 33 H6 C 3 H6 C 3 3.404 -12.483 3.959 34 1H5* C 4 2H5* C 4 -1.971 -11.456 5.838 35 2H5* C 4 1H5* C 4 -3.729 -11.626 5.892 36 H4* C 4 H4* C 4 -3.737 -10.094 7.535 37 H3* C 4 H3* C 4 -2.596 -8.324 5.358 38 H2* C 4 H2* C 4 -2.033 -6.705 6.973 39 2HO* C 4 2HO* C 4 -2.856 -6.718 9.053 40 H1* C 4 H1* C 4 -1.268 -8.495 8.966 41 1H4 C 4 1H4 C 4 4.314 -7.042 6.386 42 2H4 C 4 2H4 C 4 3.682 -7.163 4.764 43 H5 C 4 H5 C 4 1.821 -8.882 4.620 44 H6 C 4 H6 C 4 -0.256 -9.525 5.645 45 1H5* U 5 1H5* U 5 -4.823 -6.180 8.098 46 2H5* U 5 2H5* U 5 -5.868 -4.947 7.367 47 H4* U 5 H4* U 5 -4.484 -3.931 9.083 48 H3* U 5 H3* U 5 -3.653 -3.171 6.268 49 H2* U 5 H2* U 5 -2.047 -1.732 7.226 50 2HO* U 5 2HO* U 5 -2.367 -1.707 9.786 51 H1* U 5 H1* U 5 -1.541 -3.355 9.472 52 H3 U 5 H3 U 5 2.334 -2.523 7.242 53 H5 U 5 H5 U 5 0.544 -5.679 5.152 54 H6 U 5 H6 U 5 -1.463 -5.224 6.377 55 1H5* G 6 1H5* G 6 -1.776 0.050 8.000 56 2H5* G 6 2H5* G 6 -3.023 1.315 8.087 57 H4* G 6 H4* G 6 -1.736 2.506 6.670 58 H3* G 6 H3* G 6 -2.540 0.257 4.783 59 H2* G 6 H2* G 6 -1.034 1.103 3.202 60 2HO* G 6 2HO* G 6 -0.578 3.170 3.005 61 H1* G 6 H1* G 6 0.879 2.010 5.064 62 H8 G 6 H8 G 6 -0.746 -1.506 4.953 63 H1 G 6 H1 G 6 5.107 -1.016 2.323 64 1H2 G 6 1H2 G 6 5.662 1.151 2.141 65 2H2 G 6 2H2 G 6 4.914 2.300 3.235 66 1H5* A 7 1H5* A 7 -4.529 1.646 0.785 67 2H5* A 7 2H5* A 7 -3.496 0.203 0.743 68 H4* A 7 H4* A 7 -2.802 1.694 -1.022 69 H3* A 7 H3* A 7 -0.908 1.724 1.354 70 H2* A 7 H2* A 7 0.464 3.237 0.145 71 2HO* A 7 2HO* A 7 0.782 2.755 -1.864 72 H1* A 7 H1* A 7 -1.646 4.517 -1.166 73 H8 A 7 H8 A 7 -2.525 4.553 2.421 74 1H6 A 7 1H6 A 7 0.034 8.523 3.796 75 2H6 A 7 2H6 A 7 1.666 8.969 3.352 76 H2 A 7 H2 A 7 2.152 7.469 -0.877 77 1H5* A 8 1H5* A 8 1.036 0.888 -1.708 78 2H5* A 8 2H5* A 8 2.387 -0.246 -1.938 79 H4* A 8 H4* A 8 3.259 1.961 -2.263 80 H3* A 8 H3* A 8 3.896 0.828 0.481 81 H2* A 8 H2* A 8 5.109 2.783 1.011 82 2HO* A 8 2HO* A 8 4.919 3.545 -1.722 83 H1* A 8 H1* A 8 3.366 4.547 -0.297 84 H8 A 8 H8 A 8 1.300 2.083 1.601 85 1H6 A 8 1H6 A 8 2.433 5.334 6.724 86 2H6 A 8 2H6 A 8 1.183 4.422 5.908 87 H2 A 8 H2 A 8 5.076 6.945 3.455 88 1H5* A 9 2H5* A 9 8.468 -0.448 -2.421 89 2H5* A 9 1H5* A 9 7.460 0.422 -1.246 90 H4* A 9 H4* A 9 9.558 1.480 -2.784 91 H3* A 9 H3* A 9 7.312 2.753 -1.197 92 H2* A 9 H2* A 9 8.011 4.872 -1.986 93 2HO* A 9 2HO* A 9 10.313 3.696 -3.132 94 H1* A 9 H1* A 9 8.621 4.002 -4.570 95 H8 A 9 H8 A 9 6.236 5.226 -2.132 96 1H6 A 9 1H6 A 9 1.730 4.727 -5.097 97 2H6 A 9 2H6 A 9 2.260 5.998 -6.176 98 H2 A 9 H2 A 9 5.253 2.681 -7.941 99 1H5* A 10 1H5* A 10 10.027 1.454 3.759 100 2H5* A 10 2H5* A 10 8.352 1.763 3.255 101 H4* A 10 H4* A 10 10.167 4.118 3.571 102 H3* A 10 H3* A 10 9.090 2.432 5.835 103 H2* A 10 H2* A 10 8.427 4.347 7.017 104 2HO* A 10 2HO* A 10 9.820 5.997 5.187 105 H1* A 10 H1* A 10 7.581 5.837 4.818 106 H8 A 10 H8 A 10 6.132 2.728 3.871 107 1H6 A 10 1H6 A 10 1.715 3.399 7.467 108 2H6 A 10 2H6 A 10 2.677 2.035 7.991 109 H2 A 10 H2 A 10 5.253 6.097 9.267 110 1H5* A 11 1H5* A 11 10.104 4.646 8.494 111 2H5* A 11 2H5* A 11 10.817 3.658 9.789 112 H4* A 11 H4* A 11 8.469 4.558 10.223 113 H3* A 11 H3* A 11 9.085 1.596 10.333 114 H2* A 11 H2* A 11 6.830 1.153 10.873 115 2HO* A 11 2HO* A 11 5.593 2.512 11.921 116 H1* A 11 H1* A 11 5.707 3.104 9.255 117 H8 A 11 H8 A 11 8.438 1.345 7.361 118 1H6 A 11 1H6 A 11 4.613 -3.220 6.228 119 2H6 A 11 2H6 A 11 5.373 -2.075 5.148 120 H2 A 11 H2 A 11 2.441 -0.298 9.012 121 1H5* G 12 1H5* G 12 9.261 -1.316 13.210 122 2H5* G 12 2H5* G 12 9.086 -0.440 11.680 123 H4* G 12 H4* G 12 6.935 0.211 13.528 124 H3* G 12 H3* G 12 7.384 -2.696 12.843 125 H2* G 12 H2* G 12 5.065 -2.927 12.411 126 2HO* G 12 2HO* G 12 4.676 -0.365 13.570 127 H1* G 12 H1* G 12 4.736 -0.428 11.200 128 H8 G 12 H8 G 12 7.707 -1.371 9.469 129 H1 G 12 H1 G 12 2.963 -5.492 8.126 130 1H2 G 12 1H2 G 12 1.176 -4.946 9.444 131 2H2 G 12 2H2 G 12 1.599 -4.494 11.080 132 1H5* G 13 1H5* G 13 4.612 -3.040 15.907 133 2H5* G 13 2H5* G 13 5.108 -4.092 17.249 134 H4* G 13 H4* G 13 2.984 -4.879 16.418 135 H3* G 13 H3* G 13 5.313 -6.578 15.515 136 H2* G 13 H2* G 13 3.817 -7.946 14.339 137 2HO* G 13 2HO* G 13 2.204 -8.348 15.761 138 H1* G 13 H1* G 13 2.088 -5.947 13.490 139 H8 G 13 H8 G 13 5.545 -4.701 12.906 140 H1 G 13 H1 G 13 3.722 -9.169 8.662 141 1H2 G 13 1H2 G 13 1.676 -9.915 9.233 142 2H2 G 13 2H2 G 13 1.300 -9.969 10.941 143 1H5* G 14 1H5* G 14 2.214 -8.707 17.411 144 2H5* G 14 2H5* G 14 2.643 -9.999 18.555 145 H4* G 14 H4* G 14 1.013 -10.856 16.948 146 H3* G 14 H3* G 14 3.834 -11.870 16.509 147 H2* G 14 H2* G 14 3.007 -13.219 14.745 148 2HO* G 14 2HO* G 14 0.537 -12.800 16.012 149 H1* G 14 H1* G 14 1.211 -11.324 13.766 150 H8 G 14 H8 G 14 4.359 -9.489 14.519 151 H1 G 14 H1 G 14 4.763 -13.116 9.213 152 1H2 G 14 1H2 G 14 3.169 -14.719 9.331 153 2H2 G 14 2H2 G 14 1.654 -14.241 10.064 154 1H5* C 15 1H5* C 15 1.572 -14.911 16.302 155 2H5* C 15 2H5* C 15 1.852 -16.264 17.426 156 H4* C 15 H4* C 15 1.742 -17.290 15.297 157 H3* C 15 H3* C 15 4.626 -16.784 16.086 158 H2* C 15 H2* C 15 5.302 -17.818 14.076 159 2HO* C 15 2HO* C 15 3.312 -18.815 12.851 160 H1* C 15 H1* C 15 3.100 -16.925 12.558 161 1H4 C 15 1H4 C 15 8.001 -13.427 10.588 162 2H4 C 15 2H4 C 15 8.223 -12.736 12.185 163 H5 C 15 H5 C 15 6.420 -12.950 13.854 164 H6 C 15 H6 C 15 4.557 -14.318 14.567 165 2H ASP 2 2H ASP 2 10.206 -11.074 -0.946 166 1H ASP 2 1H ASP 2 10.137 -12.761 -1.138 167 3H ASP 2 3H ASP 2 11.401 -12.056 -0.249 168 HA ASP 2 HA ASP 2 9.929 -12.906 1.375 169 1HB ASP 2 1HB ASP 2 9.256 -9.984 0.935 170 2HB ASP 2 2HB ASP 2 9.319 -10.837 2.474 171 H ALA 3 H ALA 3 7.549 -11.722 2.210 172 HA ALA 3 HA ALA 3 5.611 -12.698 0.136 173 1HB ALA 3 1HB ALA 3 5.896 -13.993 2.279 174 2HB ALA 3 2HB ALA 3 5.344 -12.565 3.156 175 3HB ALA 3 3HB ALA 3 4.256 -13.390 2.039 176 H GLN 4 H GLN 4 6.436 -10.088 2.337 177 HA GLN 4 HA GLN 4 3.921 -8.671 2.126 178 1HB GLN 4 1HB GLN 4 5.565 -8.333 3.941 179 2HB GLN 4 2HB GLN 4 6.748 -7.762 2.771 180 1HG GLN 4 1HG GLN 4 5.081 -5.955 2.130 181 2HG GLN 4 2HG GLN 4 4.137 -6.436 3.537 182 1HE2 GLN 4 2HE2 GLN 4 4.708 -4.078 4.172 183 2HE2 GLN 4 1HE2 GLN 4 6.168 -3.832 4.998 184 H THR 5 H THR 5 7.117 -8.026 0.694 185 HA THR 5 HA THR 5 6.420 -5.977 -1.092 186 HB THR 5 HB THR 5 8.231 -8.363 -1.612 187 HG1 THR 5 HG1 THR 5 9.642 -7.402 -0.353 188 1HG2 THR 5 1HG2 THR 5 7.884 -5.648 -2.835 189 2HG2 THR 5 2HG2 THR 5 9.469 -6.427 -2.860 190 3HG2 THR 5 3HG2 THR 5 8.087 -7.210 -3.631 191 H ARG 6 H ARG 6 5.913 -9.445 -1.294 192 HA ARG 6 HA ARG 6 4.780 -9.512 -3.972 193 1HB ARG 6 1HB ARG 6 5.404 -11.270 -1.771 194 2HB ARG 6 2HB ARG 6 3.736 -11.555 -2.279 195 1HG ARG 6 1HG ARG 6 4.448 -11.918 -4.581 196 2HG ARG 6 2HG ARG 6 6.110 -11.492 -4.175 197 1HD ARG 6 1HD ARG 6 5.704 -13.987 -4.293 198 2HD ARG 6 2HD ARG 6 6.299 -13.447 -2.712 199 HE ARG 6 HE ARG 6 4.190 -13.978 -1.793 200 1HH1 ARG 6 1HH1 ARG 6 4.013 -13.722 -5.252 201 2HH1 ARG 6 2HH1 ARG 6 2.372 -14.264 -5.325 202 1HH2 ARG 6 1HH2 ARG 6 2.058 -14.681 -1.902 203 2HH2 ARG 6 2HH2 ARG 6 1.270 -14.804 -3.439 204 H ARG 7 H ARG 7 3.519 -9.512 -0.656 205 HA ARG 7 HA ARG 7 0.764 -9.578 -1.247 206 1HB ARG 7 1HB ARG 7 1.519 -9.901 0.983 207 2HB ARG 7 2HB ARG 7 2.466 -8.419 0.954 208 1HG ARG 7 1HG ARG 7 0.148 -7.237 0.630 209 2HG ARG 7 2HG ARG 7 -0.507 -8.745 1.261 210 1HD ARG 7 1HD ARG 7 0.037 -8.125 3.370 211 2HD ARG 7 2HD ARG 7 1.731 -7.898 2.895 212 HE ARG 7 HE ARG 7 -0.285 -5.799 3.068 213 1HH1 ARG 7 1HH1 ARG 7 2.625 -6.856 1.522 214 2HH1 ARG 7 2HH1 ARG 7 3.126 -5.260 1.115 215 1HH2 ARG 7 1HH2 ARG 7 0.369 -3.725 2.537 216 2HH2 ARG 7 2HH2 ARG 7 1.857 -3.487 1.685 217 H ARG 8 H ARG 8 3.074 -6.917 -1.275 218 HA ARG 8 HA ARG 8 1.329 -4.674 -1.401 219 1HB ARG 8 1HB ARG 8 3.973 -5.020 -1.383 220 2HB ARG 8 2HB ARG 8 3.782 -4.893 -3.129 221 1HG ARG 8 1HG ARG 8 4.175 -2.668 -2.420 222 2HG ARG 8 2HG ARG 8 2.430 -2.754 -2.654 223 1HD ARG 8 1HD ARG 8 3.067 -1.634 -0.496 224 2HD ARG 8 2HD ARG 8 2.096 -3.096 -0.239 225 HE ARG 8 HE ARG 8 3.995 -4.115 0.726 226 1HH1 ARG 8 1HH1 ARG 8 4.899 -1.370 -1.194 227 2HH1 ARG 8 2HH1 ARG 8 6.565 -1.449 -0.735 228 1HH2 ARG 8 1HH2 ARG 8 6.163 -4.209 1.317 229 2HH2 ARG 8 2HH2 ARG 8 7.278 -3.047 0.679 230 H GLU 9 H GLU 9 2.408 -6.913 -3.922 231 HA GLU 9 HA GLU 9 1.125 -5.559 -6.110 232 1HB GLU 9 1HB GLU 9 1.651 -8.520 -5.631 233 2HB GLU 9 2HB GLU 9 1.342 -7.782 -7.203 234 1HG GLU 9 1HG GLU 9 3.502 -6.456 -5.724 235 2HG GLU 9 2HG GLU 9 3.845 -8.150 -6.073 236 H ARG 10 H ARG 10 0.081 -7.743 -3.599 237 HA ARG 10 HA ARG 10 -2.615 -8.129 -4.634 238 1HB ARG 10 1HB ARG 10 -0.907 -9.041 -2.482 239 2HB ARG 10 2HB ARG 10 -2.471 -8.551 -1.831 240 1HG ARG 10 1HG ARG 10 -3.641 -10.135 -3.086 241 2HG ARG 10 2HG ARG 10 -2.364 -10.261 -4.296 242 1HD ARG 10 1HD ARG 10 -0.913 -11.425 -2.682 243 2HD ARG 10 2HD ARG 10 -2.164 -11.268 -1.434 244 HE ARG 10 HE ARG 10 -3.378 -12.989 -2.506 245 1HH1 ARG 10 1HH1 ARG 10 -0.972 -11.649 -4.620 246 2HH1 ARG 10 2HH1 ARG 10 -1.247 -12.819 -5.865 247 1HH2 ARG 10 1HH2 ARG 10 -3.726 -14.502 -4.131 248 2HH2 ARG 10 2HH2 ARG 10 -2.797 -14.425 -5.591 249 H ARG 11 H ARG 11 -0.890 -5.633 -3.001 250 HA ARG 11 HA ARG 11 -3.320 -4.467 -1.788 251 1HB ARG 11 1HB ARG 11 -0.425 -3.587 -1.985 252 2HB ARG 11 2HB ARG 11 -1.680 -2.692 -1.138 253 1HG ARG 11 1HG ARG 11 -0.740 -5.503 -0.485 254 2HG ARG 11 2HG ARG 11 -0.425 -4.052 0.458 255 1HD ARG 11 1HD ARG 11 -2.498 -4.079 1.409 256 2HD ARG 11 2HD ARG 11 -3.291 -4.571 -0.094 257 HE ARG 11 HE ARG 11 -2.388 -6.870 0.305 258 1HH1 ARG 11 1HH1 ARG 11 -2.460 -4.604 2.945 259 2HH1 ARG 11 2HH1 ARG 11 -2.427 -5.842 4.150 260 1HH2 ARG 11 1HH2 ARG 11 -2.347 -8.454 1.876 261 2HH2 ARG 11 2HH2 ARG 11 -2.364 -8.011 3.548 262 H ALA 12 H ALA 12 -2.053 -4.585 -4.892 263 HA ALA 12 HA ALA 12 -2.100 -1.905 -5.837 264 1HB ALA 12 1HB ALA 12 -3.140 -4.475 -7.107 265 2HB ALA 12 2HB ALA 12 -2.758 -2.999 -7.992 266 3HB ALA 12 3HB ALA 12 -1.476 -3.894 -7.175 267 H GLU 13 H GLU 13 -4.679 -4.030 -4.788 268 HA GLU 13 HA GLU 13 -6.859 -2.411 -5.853 269 1HB GLU 13 1HB GLU 13 -6.614 -4.629 -3.794 270 2HB GLU 13 2HB GLU 13 -8.161 -3.926 -4.264 271 1HG GLU 13 1HG GLU 13 -6.698 -4.570 -6.647 272 2HG GLU 13 2HG GLU 13 -6.700 -5.984 -5.592 273 H LYS 14 H LYS 14 -4.995 -2.651 -2.852 274 HA LYS 14 HA LYS 14 -6.692 -0.737 -1.403 275 1HB LYS 14 1HB LYS 14 -3.926 -1.926 -0.937 276 2HB LYS 14 2HB LYS 14 -4.816 -0.971 0.252 277 1HG LYS 14 1HG LYS 14 -6.158 -3.347 -0.983 278 2HG LYS 14 2HG LYS 14 -4.963 -3.608 0.289 279 1HD LYS 14 1HD LYS 14 -6.249 -1.862 1.652 280 2HD LYS 14 2HD LYS 14 -7.531 -2.019 0.450 281 1HE LYS 14 1HE LYS 14 -6.713 -4.661 1.226 282 2HE LYS 14 2HE LYS 14 -7.044 -3.716 2.691 283 1HZ LYS 14 1HZ LYS 14 -9.120 -2.968 1.695 284 2HZ LYS 14 2HZ LYS 14 -8.813 -3.899 0.307 285 3HZ LYS 14 3HZ LYS 14 -9.088 -4.661 1.801 286 H GLN 15 H GLN 15 -3.752 -0.818 -3.277 287 HA GLN 15 HA GLN 15 -2.868 1.892 -2.817 288 1HB GLN 15 1HB GLN 15 -2.172 -0.529 -4.295 289 2HB GLN 15 2HB GLN 15 -1.886 0.904 -5.269 290 1HG GLN 15 1HG GLN 15 -0.296 1.754 -3.798 291 2HG GLN 15 2HG GLN 15 -0.976 0.890 -2.419 292 1HE2 GLN 15 2HE2 GLN 15 -0.845 -1.634 -2.689 293 2HE2 GLN 15 1HE2 GLN 15 0.614 -2.239 -3.314 294 H ALA 16 H ALA 16 -4.520 0.253 -5.522 295 HA ALA 16 HA ALA 16 -4.922 2.665 -7.066 296 1HB ALA 16 1HB ALA 16 -4.965 0.317 -7.929 297 2HB ALA 16 2HB ALA 16 -6.459 0.038 -7.035 298 3HB ALA 16 3HB ALA 16 -6.429 1.202 -8.359 299 H GLN 17 H GLN 17 -6.657 1.171 -4.392 300 HA GLN 17 HA GLN 17 -9.083 2.786 -4.801 301 1HB GLN 17 1HB GLN 17 -7.974 0.883 -2.739 302 2HB GLN 17 2HB GLN 17 -9.380 1.867 -2.343 303 1HG GLN 17 1HG GLN 17 -9.195 0.090 -4.789 304 2HG GLN 17 2HG GLN 17 -9.975 -0.383 -3.279 305 1HE2 GLN 17 2HE2 GLN 17 -11.370 1.889 -2.531 306 2HE2 GLN 17 1HE2 GLN 17 -12.498 2.314 -3.726 307 H TRP 18 H TRP 18 -6.140 2.824 -2.896 308 HA TRP 18 HA TRP 18 -6.794 5.199 -1.339 309 1HB TRP 18 1HB TRP 18 -5.182 3.519 -0.565 310 2HB TRP 18 2HB TRP 18 -4.238 3.710 -2.030 311 HD1 TRP 18 HD1 TRP 18 -4.837 5.344 1.333 312 HE1 TRP 18 HE1 TRP 18 -3.229 7.354 1.571 313 HE3 TRP 18 HE3 TRP 18 -2.972 5.516 -3.348 314 HZ2 TRP 18 HZ2 TRP 18 -1.372 8.821 -0.044 315 HZ3 TRP 18 HZ3 TRP 18 -1.306 7.176 -3.997 316 HH2 TRP 18 HH2 TRP 18 -0.485 8.816 -2.371 317 H LYS 19 H LYS 19 -4.726 4.449 -4.101 318 HA LYS 19 HA LYS 19 -3.733 7.047 -4.660 319 1HB LYS 19 1HB LYS 19 -4.293 4.576 -6.322 320 2HB LYS 19 2HB LYS 19 -3.538 6.009 -7.005 321 1HG LYS 19 1HG LYS 19 -1.734 5.866 -5.323 322 2HG LYS 19 2HG LYS 19 -2.467 4.400 -4.678 323 1HD LYS 19 1HD LYS 19 -1.969 3.148 -6.592 324 2HD LYS 19 2HD LYS 19 -1.801 4.583 -7.603 325 1HE LYS 19 1HE LYS 19 0.211 5.173 -6.051 326 2HE LYS 19 2HE LYS 19 0.153 3.457 -5.601 327 1HZ LYS 19 1HZ LYS 19 0.188 4.458 -8.399 328 2HZ LYS 19 2HZ LYS 19 1.559 3.887 -7.575 329 3HZ LYS 19 3HZ LYS 19 0.268 2.836 -7.899 330 H ALA 20 H ALA 20 -6.697 5.369 -5.559 331 HA ALA 20 HA ALA 20 -7.646 7.252 -7.462 332 1HB ALA 20 1HB ALA 20 -8.835 5.206 -5.626 333 2HB ALA 20 2HB ALA 20 -9.908 6.267 -6.538 334 3HB ALA 20 3HB ALA 20 -8.779 5.212 -7.389 335 H ALA 21 H ALA 21 -7.647 7.218 -3.953 336 HA ALA 21 HA ALA 21 -9.069 9.847 -3.968 337 1HB ALA 21 1HB ALA 21 -9.095 7.468 -2.129 338 2HB ALA 21 2HB ALA 21 -9.545 9.057 -1.512 339 3HB ALA 21 3HB ALA 21 -10.464 8.331 -2.830 340 H ASN 22 H ASN 22 -6.192 9.253 -4.237 341 HA ASN 22 HA ASN 22 -5.254 11.140 -2.173 342 1HB ASN 22 1HB ASN 22 -4.256 8.295 -2.433 343 2HB ASN 22 2HB ASN 22 -3.391 9.555 -1.553 344 1HD2 ASN 22 2HD2 ASN 22 -5.542 7.088 -1.080 345 2HD2 ASN 22 1HD2 ASN 22 -6.324 7.645 0.319 346 HA PRO 23 HA PRO 23 -3.079 11.121 -6.361 347 1HB PRO 23 1HB PRO 23 -4.278 13.349 -7.421 348 2HB PRO 23 2HB PRO 23 -4.893 11.707 -7.696 349 1HG PRO 23 1HG PRO 23 -5.849 13.792 -5.805 350 2HG PRO 23 2HG PRO 23 -6.774 12.623 -6.761 351 1HD PRO 23 1HD PRO 23 -6.245 12.319 -4.100 352 2HD PRO 23 2HD PRO 23 -6.522 10.958 -5.200 353 H LEU 24 H LEU 24 -4.166 13.372 -3.954 354 HA LEU 24 HA LEU 24 -2.345 15.527 -4.282 355 1HB LEU 24 1HB LEU 24 -3.201 16.162 -2.196 356 2HB LEU 24 2HB LEU 24 -4.427 15.002 -2.690 357 HG LEU 24 HG LEU 24 -2.025 14.179 -1.032 358 1HD1 LEU 24 1HD1 LEU 24 -3.692 16.043 -0.105 359 2HD1 LEU 24 2HD1 LEU 24 -4.689 14.627 0.229 360 3HD1 LEU 24 3HD1 LEU 24 -3.076 14.755 0.930 361 1HD2 LEU 24 1HD2 LEU 24 -3.909 12.652 -2.327 362 2HD2 LEU 24 2HD2 LEU 24 -3.052 12.131 -0.877 363 3HD2 LEU 24 3HD2 LEU 24 -4.659 12.851 -0.748 364 H LEU 25 H LEU 25 -2.041 12.378 -2.785 365 HA LEU 25 HA LEU 25 0.809 12.876 -2.076 366 1HB LEU 25 1HB LEU 25 -1.450 11.135 -1.197 367 2HB LEU 25 2HB LEU 25 0.153 10.396 -1.145 368 HG LEU 25 HG LEU 25 -0.054 13.148 -0.040 369 1HD1 LEU 25 1HD1 LEU 25 -2.059 11.471 0.702 370 2HD1 LEU 25 2HD1 LEU 25 -0.813 10.996 1.856 371 3HD1 LEU 25 3HD1 LEU 25 -1.353 12.674 1.781 372 1HD2 LEU 25 1HD2 LEU 25 1.908 11.312 -0.127 373 2HD2 LEU 25 2HD2 LEU 25 1.766 12.466 1.200 374 3HD2 LEU 25 3HD2 LEU 25 1.151 10.824 1.390 375 H VAL 26 H VAL 26 -0.165 12.663 -4.754 376 HA VAL 26 HA VAL 26 1.348 10.293 -5.683 377 HB VAL 26 HB VAL 26 -1.544 10.697 -5.566 378 1HG1 VAL 26 1HG1 VAL 26 -0.265 10.239 -8.265 379 2HG1 VAL 26 2HG1 VAL 26 -1.874 9.622 -7.887 380 3HG1 VAL 26 3HG1 VAL 26 -1.561 11.358 -7.832 381 1HG2 VAL 26 1HG2 VAL 26 0.431 8.488 -6.027 382 2HG2 VAL 26 2HG2 VAL 26 -0.751 8.683 -4.730 383 3HG2 VAL 26 3HG2 VAL 26 -1.282 8.193 -6.341 384 H GLY 27 H GLY 27 2.856 11.315 -6.898 385 1HA GLY 27 1HA GLY 27 3.833 12.867 -8.390 386 2HA GLY 27 2HA GLY 27 2.479 12.390 -9.412 387 H VAL 28 H VAL 28 3.766 14.917 -7.387 388 HA VAL 28 HA VAL 28 1.591 16.558 -6.809 389 HB VAL 28 HB VAL 28 4.309 17.292 -7.954 390 1HG1 VAL 28 1HG1 VAL 28 2.097 18.968 -7.446 391 2HG1 VAL 28 2HG1 VAL 28 3.177 19.182 -6.068 392 3HG1 VAL 28 3HG1 VAL 28 3.769 19.466 -7.704 393 1HG2 VAL 28 1HG2 VAL 28 3.769 15.904 -5.665 394 2HG2 VAL 28 2HG2 VAL 28 5.165 16.963 -5.863 395 3HG2 VAL 28 3HG2 VAL 28 3.710 17.561 -5.066 396 H SER 29 H SER 29 0.373 18.100 -7.985 397 HA SER 29 HA SER 29 -0.726 18.989 -9.867 398 1HB SER 29 1HB SER 29 1.807 18.322 -11.373 399 2HB SER 29 2HB SER 29 0.721 19.686 -11.621 400 HG SER 29 HG SER 29 2.864 19.780 -10.269 401 H ALA 30 H ALA 30 -1.264 16.329 -9.284 402 HA ALA 30 HA ALA 30 -1.753 15.207 -12.010 403 1HB ALA 30 1HB ALA 30 0.276 14.197 -10.853 404 2HB ALA 30 2HB ALA 30 -0.820 13.600 -9.606 405 3HB ALA 30 3HB ALA 30 -0.982 13.033 -11.268 406 H LYS 31 H LYS 31 -3.677 16.598 -10.658 407 HA LYS 31 HA LYS 31 -5.409 14.492 -9.409 408 1HB LYS 31 1HB LYS 31 -5.374 17.512 -9.081 409 2HB LYS 31 2HB LYS 31 -6.429 16.399 -8.209 410 1HG LYS 31 1HG LYS 31 -4.726 15.619 -6.864 411 2HG LYS 31 2HG LYS 31 -3.491 15.867 -8.098 412 1HD LYS 31 1HD LYS 31 -4.881 18.232 -6.866 413 2HD LYS 31 2HD LYS 31 -3.538 17.457 -6.024 414 1HE LYS 31 1HE LYS 31 -2.008 17.945 -7.780 415 2HE LYS 31 2HE LYS 31 -3.316 18.321 -8.919 416 1HZ LYS 31 1HZ LYS 31 -4.000 20.111 -7.351 417 2HZ LYS 31 2HZ LYS 31 -2.571 19.834 -6.475 418 3HZ LYS 31 3HZ LYS 31 -2.494 20.379 -8.082 419 HA PRO 32 HA PRO 32 -7.788 15.260 -13.125 420 1HB PRO 32 1HB PRO 32 -9.777 13.456 -12.602 421 2HB PRO 32 2HB PRO 32 -8.180 12.983 -13.216 422 1HG PRO 32 1HG PRO 32 -9.262 12.841 -10.452 423 2HG PRO 32 2HG PRO 32 -8.192 11.720 -11.307 424 1HD PRO 32 1HD PRO 32 -7.334 13.536 -9.444 425 2HD PRO 32 2HD PRO 32 -6.312 12.883 -10.743 426 H VAL 33 H VAL 33 -10.062 16.000 -13.570 427 HA VAL 33 HA VAL 33 -11.456 17.107 -11.164 428 HB VAL 33 HB VAL 33 -11.650 19.254 -12.410 429 1HG1 VAL 33 1HG1 VAL 33 -9.528 18.369 -10.986 430 2HG1 VAL 33 2HG1 VAL 33 -8.731 18.703 -12.523 431 3HG1 VAL 33 3HG1 VAL 33 -9.603 19.987 -11.685 432 1HG2 VAL 33 1HG2 VAL 33 -11.487 18.241 -14.686 433 2HG2 VAL 33 2HG2 VAL 33 -10.361 19.580 -14.467 434 3HG2 VAL 33 3HG2 VAL 33 -9.779 17.917 -14.392 435 H ASN 34 H ASN 34 -13.568 18.327 -12.295 436 HA ASN 34 HA ASN 34 -14.722 16.508 -14.358 437 1HB ASN 34 1HB ASN 34 -15.414 16.764 -11.486 438 2HB ASN 34 2HB ASN 34 -16.789 16.752 -12.591 439 1HD2 ASN 34 2HD2 ASN 34 -17.112 14.553 -11.380 440 2HD2 ASN 34 1HD2 ASN 34 -16.350 13.196 -12.059 441 H ARG 35 H ARG 35 -14.097 18.895 -15.237 442 HA ARG 35 HA ARG 35 -16.673 20.344 -15.423 443 1HB ARG 35 1HB ARG 35 -15.453 22.494 -14.835 444 2HB ARG 35 2HB ARG 35 -15.657 21.373 -13.490 445 1HG ARG 35 1HG ARG 35 -13.379 20.581 -13.723 446 2HG ARG 35 2HG ARG 35 -13.158 21.515 -15.202 447 1HD ARG 35 1HD ARG 35 -13.994 22.990 -12.729 448 2HD ARG 35 2HD ARG 35 -12.301 22.478 -12.877 449 HE ARG 35 HE ARG 35 -13.288 23.680 -15.331 450 1HH1 ARG 35 2HH1 ARG 35 -12.018 24.314 -12.164 451 2HH1 ARG 35 1HH1 ARG 35 -11.370 25.857 -12.604 452 1HH2 ARG 35 1HH2 ARG 35 -12.441 25.687 -15.893 453 2HH2 ARG 35 2HH2 ARG 35 -11.608 26.631 -14.705 454 HA PRO 36 HA PRO 36 -14.021 20.216 -19.257 455 1HB PRO 36 1HB PRO 36 -15.911 19.089 -20.885 456 2HB PRO 36 2HB PRO 36 -14.779 18.129 -19.912 457 1HG PRO 36 1HG PRO 36 -17.633 18.793 -19.389 458 2HG PRO 36 2HG PRO 36 -16.751 17.286 -19.094 459 1HD PRO 36 1HD PRO 36 -17.341 19.094 -17.139 460 2HD PRO 36 2HD PRO 36 -15.939 18.004 -17.079 Start of MODEL 2 1 1H5* G 1 1H5* G 1 11.847 -16.499 0.320 2 2H5* G 1 2H5* G 1 12.195 -15.480 1.732 3 H4* G 1 H4* G 1 11.050 -18.295 1.803 4 H3* G 1 H3* G 1 9.802 -15.557 2.244 5 H2* G 1 H2* G 1 8.359 -16.532 3.849 6 2HO* G 1 2HO* G 1 7.705 -18.520 3.710 7 H1* G 1 H1* G 1 10.299 -18.230 4.901 8 H8 G 1 H8 G 1 11.831 -14.857 4.420 9 H1 G 1 H1 G 1 7.744 -15.110 9.372 10 1H2 G 1 1H2 G 1 6.379 -16.892 9.081 11 2H2 G 1 2H2 G 1 7.073 -18.296 8.302 12 1H5* C 2 1H5* C 2 5.928 -16.765 0.890 13 2H5* C 2 2H5* C 2 7.086 -16.389 2.185 14 H4* C 2 H4* C 2 4.821 -18.252 2.805 15 H3* C 2 H3* C 2 4.563 -15.260 2.388 16 H2* C 2 H2* C 2 3.251 -15.079 4.326 17 2HO* C 2 2HO* C 2 3.012 -17.912 4.345 18 H1* C 2 H1* C 2 4.592 -17.005 5.833 19 1H4 C 2 1H4 C 2 6.756 -11.446 7.968 20 2H4 C 2 2H4 C 2 7.921 -11.377 6.668 21 H5 C 2 H5 C 2 7.706 -12.811 4.699 22 H6 C 2 H6 C 2 6.928 -15.007 3.959 23 1H5* C 3 1H5* C 3 0.334 -13.533 1.339 24 2H5* C 3 2H5* C 3 1.548 -12.374 1.911 25 H4* C 3 H4* C 3 -0.207 -14.220 3.533 26 H3* C 3 H3* C 3 0.346 -11.252 3.420 27 H2* C 3 H2* C 3 0.023 -11.053 5.728 28 2HO* C 3 2HO* C 3 -0.668 -13.551 6.444 29 H1* C 3 H1* C 3 1.206 -13.465 6.441 30 1H4 C 3 1H4 C 3 5.597 -8.931 7.372 31 2H4 C 3 2H4 C 3 5.938 -8.878 5.657 32 H5 C 3 H5 C 3 5.049 -10.639 4.188 33 H6 C 3 H6 C 3 3.264 -12.241 3.884 34 1H5* C 4 1H5* C 4 -4.174 -10.196 4.573 35 2H5* C 4 2H5* C 4 -2.423 -9.985 4.401 36 H4* C 4 H4* C 4 -4.046 -9.725 6.949 37 H3* C 4 H3* C 4 -2.644 -7.723 5.149 38 H2* C 4 H2* C 4 -2.018 -6.466 7.007 39 2HO* C 4 2HO* C 4 -3.370 -6.220 8.579 40 H1* C 4 H1* C 4 -1.544 -8.613 8.711 41 1H4 C 4 1H4 C 4 3.773 -6.211 5.876 42 2H4 C 4 2H4 C 4 4.169 -7.900 5.675 43 H5 C 4 H5 C 4 1.860 -8.817 4.653 44 H6 C 4 H6 C 4 -0.339 -9.312 5.412 45 1H5* U 5 1H5* U 5 -4.918 -4.389 6.207 46 2H5* U 5 2H5* U 5 -3.621 -5.579 6.312 47 H4* U 5 H4* U 5 -4.064 -3.984 8.773 48 H3* U 5 H3* U 5 -2.998 -2.744 6.203 49 H2* U 5 H2* U 5 -1.374 -1.628 7.484 50 2HO* U 5 2HO* U 5 -2.551 -2.356 9.933 51 H1* U 5 H1* U 5 -1.063 -3.677 9.389 52 H3 U 5 H3 U 5 2.805 -2.493 7.179 53 H5 U 5 H5 U 5 1.106 -5.640 5.003 54 H6 U 5 H6 U 5 -0.933 -5.262 6.235 55 1H5* G 6 1H5* G 6 -2.306 -0.232 7.496 56 2H5* G 6 2H5* G 6 -2.694 1.246 8.391 57 H4* G 6 H4* G 6 -1.895 2.619 6.716 58 H3* G 6 H3* G 6 -2.589 0.379 4.781 59 H2* G 6 H2* G 6 -0.972 1.192 3.310 60 2HO* G 6 2HO* G 6 -0.454 3.257 3.146 61 H1* G 6 H1* G 6 0.821 2.092 5.288 62 H8 G 6 H8 G 6 -0.811 -1.401 5.148 63 H1 G 6 H1 G 6 5.126 -1.014 2.708 64 1H2 G 6 1H2 G 6 5.684 1.146 2.457 65 2H2 G 6 2H2 G 6 4.935 2.319 3.526 66 1H5* A 7 1H5* A 7 -4.523 1.554 0.771 67 2H5* A 7 2H5* A 7 -3.483 0.114 0.786 68 H4* A 7 H4* A 7 -2.783 1.579 -1.010 69 H3* A 7 H3* A 7 -0.899 1.626 1.376 70 H2* A 7 H2* A 7 0.494 3.103 0.150 71 2HO* A 7 2HO* A 7 -0.541 3.305 -2.235 72 H1* A 7 H1* A 7 -1.600 4.381 -1.192 73 H8 A 7 H8 A 7 -2.486 4.506 2.392 74 1H6 A 7 1H6 A 7 1.740 8.935 3.201 75 2H6 A 7 2H6 A 7 0.161 8.400 3.731 76 H2 A 7 H2 A 7 2.242 7.277 -0.955 77 1H5* A 8 1H5* A 8 1.017 0.803 -1.650 78 2H5* A 8 2H5* A 8 2.370 -0.313 -1.935 79 H4* A 8 H4* A 8 3.238 1.893 -2.211 80 H3* A 8 H3* A 8 3.884 0.705 0.507 81 H2* A 8 H2* A 8 5.107 2.646 1.079 82 2HO* A 8 2HO* A 8 5.130 4.265 -0.892 83 H1* A 8 H1* A 8 3.362 4.440 -0.179 84 H8 A 8 H8 A 8 1.254 1.978 1.639 85 1H6 A 8 1H6 A 8 2.043 5.370 6.675 86 2H6 A 8 2H6 A 8 1.779 3.687 6.278 87 H2 A 8 H2 A 8 5.232 6.599 3.677 88 1H5* A 9 2H5* A 9 8.504 -0.380 -2.368 89 2H5* A 9 1H5* A 9 7.450 0.424 -1.187 90 H4* A 9 H4* A 9 9.578 1.576 -2.607 91 H3* A 9 H3* A 9 7.267 2.737 -1.031 92 H2* A 9 H2* A 9 7.929 4.905 -1.710 93 2HO* A 9 2HO* A 9 9.917 5.340 -2.600 94 H1* A 9 H1* A 9 8.639 4.171 -4.310 95 H8 A 9 H8 A 9 6.162 5.244 -1.906 96 1H6 A 9 1H6 A 9 2.043 5.312 -4.642 97 2H6 A 9 2H6 A 9 1.963 5.455 -6.384 98 H2 A 9 H2 A 9 5.385 2.857 -7.812 99 1H5* A 10 1H5* A 10 9.943 1.200 3.913 100 2H5* A 10 2H5* A 10 8.327 1.667 3.348 101 H4* A 10 H4* A 10 10.320 3.862 3.591 102 H3* A 10 H3* A 10 9.239 2.304 5.941 103 H2* A 10 H2* A 10 8.744 4.282 7.106 104 2HO* A 10 2HO* A 10 9.834 6.082 6.861 105 H1* A 10 H1* A 10 7.902 5.774 4.910 106 H8 A 10 H8 A 10 6.150 2.865 3.993 107 1H6 A 10 1H6 A 10 2.418 3.305 8.932 108 2H6 A 10 2H6 A 10 2.540 2.716 7.289 109 H2 A 10 H2 A 10 5.919 6.037 9.571 110 1H5* A 11 1H5* A 11 10.346 4.879 9.118 111 2H5* A 11 2H5* A 11 11.081 3.561 10.060 112 H4* A 11 H4* A 11 8.704 4.471 10.715 113 H3* A 11 H3* A 11 9.475 1.549 10.490 114 H2* A 11 H2* A 11 7.270 0.919 11.024 115 2HO* A 11 2HO* A 11 7.273 3.313 12.352 116 H1* A 11 H1* A 11 5.988 2.981 9.665 117 H8 A 11 H8 A 11 8.787 1.482 7.598 118 1H6 A 11 1H6 A 11 5.095 -3.095 6.132 119 2H6 A 11 2H6 A 11 5.796 -1.853 5.125 120 H2 A 11 H2 A 11 2.834 -0.429 9.102 121 1H5* G 12 1H5* G 12 8.858 -1.453 13.711 122 2H5* G 12 2H5* G 12 8.846 -0.633 12.139 123 H4* G 12 H4* G 12 6.637 0.248 13.819 124 H3* G 12 H3* G 12 6.951 -2.716 13.287 125 H2* G 12 H2* G 12 4.674 -2.860 12.686 126 2HO* G 12 2HO* G 12 3.765 -0.383 13.133 127 H1* G 12 H1* G 12 4.531 -0.382 11.396 128 H8 G 12 H8 G 12 7.544 -1.425 9.850 129 H1 G 12 H1 G 12 2.809 -5.453 8.240 130 1H2 G 12 1H2 G 12 0.981 -4.950 9.455 131 2H2 G 12 2H2 G 12 1.249 -4.361 11.080 132 1H5* G 13 1H5* G 13 3.821 -2.947 15.886 133 2H5* G 13 2H5* G 13 4.226 -3.857 17.357 134 H4* G 13 H4* G 13 2.253 -4.857 16.471 135 H3* G 13 H3* G 13 4.732 -6.404 15.727 136 H2* G 13 H2* G 13 3.425 -7.933 14.549 137 2HO* G 13 2HO* G 13 0.917 -7.099 15.017 138 H1* G 13 H1* G 13 1.569 -6.113 13.556 139 H8 G 13 H8 G 13 5.063 -4.763 13.181 140 H1 G 13 H1 G 13 3.440 -9.068 8.691 141 1H2 G 13 1H2 G 13 1.220 -9.668 9.125 142 2H2 G 13 2H2 G 13 1.026 -10.062 10.818 143 1H5* G 14 1H5* G 14 3.249 -9.928 17.941 144 2H5* G 14 2H5* G 14 3.393 -8.943 16.477 145 H4* G 14 H4* G 14 1.126 -10.904 16.715 146 H3* G 14 H3* G 14 4.016 -11.569 16.112 147 H2* G 14 H2* G 14 3.305 -13.026 14.397 148 2HO* G 14 2HO* G 14 1.418 -14.003 14.387 149 H1* G 14 H1* G 14 1.202 -11.439 13.503 150 H8 G 14 H8 G 14 4.006 -9.094 14.041 151 H1 G 14 H1 G 14 4.864 -12.825 8.863 152 1H2 G 14 1H2 G 14 2.988 -14.201 8.725 153 2H2 G 14 2H2 G 14 2.651 -14.926 10.281 154 1H5* C 15 1H5* C 15 2.059 -14.878 16.207 155 2H5* C 15 2H5* C 15 2.602 -16.204 17.262 156 H4* C 15 H4* C 15 2.342 -17.161 15.090 157 H3* C 15 H3* C 15 5.246 -16.516 15.681 158 H2* C 15 H2* C 15 5.821 -17.443 13.590 159 2HO* C 15 2HO* C 15 4.501 -19.368 13.916 160 H1* C 15 H1* C 15 3.463 -16.633 12.276 161 1H4 C 15 1H4 C 15 8.091 -12.909 10.072 162 2H4 C 15 2H4 C 15 8.282 -12.134 11.634 163 H5 C 15 H5 C 15 6.618 -12.494 13.407 164 H6 C 15 H6 C 15 4.900 -13.976 14.220 165 2H ASP 2 2H ASP 2 9.727 -9.806 -0.766 166 1H ASP 2 1H ASP 2 9.541 -11.175 -1.757 167 3H ASP 2 3H ASP 2 11.005 -10.913 -0.941 168 HA ASP 2 HA ASP 2 9.932 -12.554 0.335 169 1HB ASP 2 1HB ASP 2 9.208 -9.882 1.564 170 2HB ASP 2 2HB ASP 2 9.660 -11.359 2.410 171 H ALA 3 H ALA 3 7.822 -12.183 2.113 172 HA ALA 3 HA ALA 3 5.522 -12.810 0.428 173 1HB ALA 3 1HB ALA 3 5.867 -12.426 3.416 174 2HB ALA 3 2HB ALA 3 4.455 -13.149 2.645 175 3HB ALA 3 3HB ALA 3 6.021 -13.953 2.546 176 H GLN 4 H GLN 4 6.532 -10.077 2.445 177 HA GLN 4 HA GLN 4 4.031 -8.647 2.258 178 1HB GLN 4 1HB GLN 4 5.973 -8.367 3.916 179 2HB GLN 4 2HB GLN 4 6.811 -7.501 2.630 180 1HG GLN 4 1HG GLN 4 4.960 -5.886 2.491 181 2HG GLN 4 2HG GLN 4 4.098 -6.754 3.763 182 1HE2 GLN 4 2HE2 GLN 4 5.655 -3.971 3.492 183 2HE2 GLN 4 1HE2 GLN 4 6.508 -3.908 4.959 184 H THR 5 H THR 5 7.149 -8.213 0.574 185 HA THR 5 HA THR 5 6.379 -6.207 -1.254 186 HB THR 5 HB THR 5 8.114 -8.659 -1.732 187 HG1 THR 5 HG1 THR 5 9.762 -7.350 -0.951 188 1HG2 THR 5 1HG2 THR 5 7.727 -6.040 -3.143 189 2HG2 THR 5 2HG2 THR 5 9.299 -6.844 -3.201 190 3HG2 THR 5 3HG2 THR 5 7.865 -7.663 -3.823 191 H ARG 6 H ARG 6 5.791 -9.671 -1.233 192 HA ARG 6 HA ARG 6 4.495 -9.852 -3.829 193 1HB ARG 6 1HB ARG 6 5.179 -11.501 -1.544 194 2HB ARG 6 2HB ARG 6 3.503 -11.797 -2.022 195 1HG ARG 6 1HG ARG 6 4.492 -11.905 -4.449 196 2HG ARG 6 2HG ARG 6 6.026 -12.187 -3.627 197 1HD ARG 6 1HD ARG 6 3.533 -13.807 -3.023 198 2HD ARG 6 2HD ARG 6 4.745 -14.307 -4.220 199 HE ARG 6 HE ARG 6 5.100 -14.346 -1.330 200 1HH1 ARG 6 1HH1 ARG 6 6.672 -13.943 -4.401 201 2HH1 ARG 6 2HH1 ARG 6 8.218 -14.439 -3.806 202 1HH2 ARG 6 1HH2 ARG 6 7.115 -14.991 -0.569 203 2HH2 ARG 6 2HH2 ARG 6 8.469 -15.030 -1.648 204 H ARG 7 H ARG 7 3.438 -9.612 -0.449 205 HA ARG 7 HA ARG 7 0.653 -9.680 -0.881 206 1HB ARG 7 1HB ARG 7 1.527 -9.887 1.315 207 2HB ARG 7 2HB ARG 7 2.493 -8.427 1.149 208 1HG ARG 7 1HG ARG 7 0.135 -7.256 0.876 209 2HG ARG 7 2HG ARG 7 -0.440 -8.698 1.711 210 1HD ARG 7 1HD ARG 7 0.244 -7.817 3.677 211 2HD ARG 7 2HD ARG 7 1.908 -7.766 3.070 212 HE ARG 7 HE ARG 7 0.017 -5.516 3.063 213 1HH1 ARG 7 1HH1 ARG 7 2.885 -6.926 1.718 214 2HH1 ARG 7 2HH1 ARG 7 3.505 -5.417 1.165 215 1HH2 ARG 7 1HH2 ARG 7 0.830 -3.561 2.342 216 2HH2 ARG 7 2HH2 ARG 7 2.349 -3.517 1.514 217 H ARG 8 H ARG 8 2.980 -7.048 -1.177 218 HA ARG 8 HA ARG 8 1.250 -4.799 -1.357 219 1HB ARG 8 1HB ARG 8 3.886 -5.160 -1.430 220 2HB ARG 8 2HB ARG 8 3.627 -5.169 -3.172 221 1HG ARG 8 1HG ARG 8 4.044 -2.900 -2.701 222 2HG ARG 8 2HG ARG 8 2.286 -2.985 -2.775 223 1HD ARG 8 1HD ARG 8 3.085 -1.707 -0.775 224 2HD ARG 8 2HD ARG 8 2.179 -3.160 -0.314 225 HE ARG 8 HE ARG 8 4.186 -4.077 0.522 226 1HH1 ARG 8 1HH1 ARG 8 4.832 -1.451 -1.652 227 2HH1 ARG 8 2HH1 ARG 8 6.535 -1.467 -1.348 228 1HH2 ARG 8 1HH2 ARG 8 6.400 -4.087 0.909 229 2HH2 ARG 8 2HH2 ARG 8 7.419 -2.950 0.093 230 H GLU 9 H GLU 9 2.219 -7.170 -3.806 231 HA GLU 9 HA GLU 9 0.834 -5.938 -5.999 232 1HB GLU 9 1HB GLU 9 1.498 -8.830 -5.329 233 2HB GLU 9 2HB GLU 9 0.913 -8.304 -6.907 234 1HG GLU 9 1HG GLU 9 3.085 -6.597 -6.160 235 2HG GLU 9 2HG GLU 9 3.596 -8.268 -5.922 236 H ARG 10 H ARG 10 -0.109 -7.968 -3.329 237 HA ARG 10 HA ARG 10 -2.843 -8.408 -4.239 238 1HB ARG 10 1HB ARG 10 -1.051 -9.176 -2.083 239 2HB ARG 10 2HB ARG 10 -2.619 -8.696 -1.437 240 1HG ARG 10 1HG ARG 10 -3.761 -10.370 -2.609 241 2HG ARG 10 2HG ARG 10 -2.472 -10.546 -3.802 242 1HD ARG 10 1HD ARG 10 -1.175 -11.881 -2.408 243 2HD ARG 10 2HD ARG 10 -1.849 -11.165 -0.930 244 HE ARG 10 HE ARG 10 -2.996 -13.396 -2.398 245 1HH1 ARG 10 1HH1 ARG 10 -3.692 -10.601 -0.462 246 2HH1 ARG 10 2HH1 ARG 10 -5.203 -11.224 0.105 247 1HH2 ARG 10 1HH2 ARG 10 -4.963 -14.196 -1.656 248 2HH2 ARG 10 2HH2 ARG 10 -5.921 -13.249 -0.567 249 H ARG 11 H ARG 11 -1.057 -5.838 -2.796 250 HA ARG 11 HA ARG 11 -3.461 -4.606 -1.581 251 1HB ARG 11 1HB ARG 11 -0.553 -3.781 -1.818 252 2HB ARG 11 2HB ARG 11 -1.785 -2.861 -0.960 253 1HG ARG 11 1HG ARG 11 -0.910 -5.692 -0.319 254 2HG ARG 11 2HG ARG 11 -0.520 -4.253 0.618 255 1HD ARG 11 1HD ARG 11 -2.536 -4.292 1.676 256 2HD ARG 11 2HD ARG 11 -3.410 -4.558 0.160 257 HE ARG 11 HE ARG 11 -2.106 -6.961 0.574 258 1HH1 ARG 11 1HH1 ARG 11 -4.223 -4.957 2.461 259 2HH1 ARG 11 2HH1 ARG 11 -4.898 -6.290 3.335 260 1HH2 ARG 11 1HH2 ARG 11 -2.991 -8.685 1.716 261 2HH2 ARG 11 2HH2 ARG 11 -4.204 -8.389 2.916 262 H ALA 12 H ALA 12 -2.253 -4.855 -4.686 263 HA ALA 12 HA ALA 12 -2.224 -2.194 -5.706 264 1HB ALA 12 1HB ALA 12 -3.338 -4.777 -6.888 265 2HB ALA 12 2HB ALA 12 -2.938 -3.335 -7.822 266 3HB ALA 12 3HB ALA 12 -1.664 -4.231 -6.996 267 H GLU 13 H GLU 13 -4.842 -4.219 -4.565 268 HA GLU 13 HA GLU 13 -6.994 -2.577 -5.654 269 1HB GLU 13 1HB GLU 13 -6.873 -4.655 -3.434 270 2HB GLU 13 2HB GLU 13 -8.358 -4.034 -4.156 271 1HG GLU 13 1HG GLU 13 -6.417 -5.005 -6.139 272 2HG GLU 13 2HG GLU 13 -6.981 -6.260 -5.035 273 H LYS 14 H LYS 14 -5.102 -2.784 -2.664 274 HA LYS 14 HA LYS 14 -6.733 -0.791 -1.250 275 1HB LYS 14 1HB LYS 14 -3.963 -1.982 -0.785 276 2HB LYS 14 2HB LYS 14 -4.857 -1.018 0.393 277 1HG LYS 14 1HG LYS 14 -6.000 -3.539 -0.814 278 2HG LYS 14 2HG LYS 14 -5.019 -3.560 0.653 279 1HD LYS 14 1HD LYS 14 -6.598 -1.895 1.664 280 2HD LYS 14 2HD LYS 14 -7.620 -2.057 0.235 281 1HE LYS 14 1HE LYS 14 -7.583 -4.604 0.737 282 2HE LYS 14 2HE LYS 14 -7.012 -4.128 2.348 283 1HZ LYS 14 1HZ LYS 14 -9.434 -3.059 0.995 284 2HZ LYS 14 2HZ LYS 14 -9.441 -4.196 2.254 285 3HZ LYS 14 3HZ LYS 14 -8.880 -2.617 2.540 286 H GLN 15 H GLN 15 -3.794 -0.985 -3.128 287 HA GLN 15 HA GLN 15 -2.877 1.727 -2.773 288 1HB GLN 15 1HB GLN 15 -2.221 -0.753 -4.171 289 2HB GLN 15 2HB GLN 15 -1.915 0.642 -5.192 290 1HG GLN 15 1HG GLN 15 -0.308 1.516 -3.754 291 2HG GLN 15 2HG GLN 15 -1.001 0.714 -2.345 292 1HE2 GLN 15 2HE2 GLN 15 -1.003 -1.875 -2.706 293 2HE2 GLN 15 1HE2 GLN 15 0.482 -2.502 -3.238 294 H ALA 16 H ALA 16 -4.564 0.020 -5.417 295 HA ALA 16 HA ALA 16 -4.947 2.375 -7.042 296 1HB ALA 16 1HB ALA 16 -6.475 -0.251 -6.851 297 2HB ALA 16 2HB ALA 16 -6.595 0.888 -8.192 298 3HB ALA 16 3HB ALA 16 -5.073 0.054 -7.877 299 H GLN 17 H GLN 17 -6.696 0.999 -4.309 300 HA GLN 17 HA GLN 17 -9.085 2.660 -4.706 301 1HB GLN 17 1HB GLN 17 -7.948 0.824 -2.600 302 2HB GLN 17 2HB GLN 17 -9.317 1.855 -2.198 303 1HG GLN 17 1HG GLN 17 -10.663 0.883 -3.934 304 2HG GLN 17 2HG GLN 17 -9.282 0.013 -4.598 305 1HE2 GLN 17 2HE2 GLN 17 -10.652 0.359 -1.268 306 2HE2 GLN 17 1HE2 GLN 17 -10.682 -1.308 -0.953 307 H TRP 18 H TRP 18 -6.127 2.704 -2.818 308 HA TRP 18 HA TRP 18 -6.714 5.160 -1.370 309 1HB TRP 18 1HB TRP 18 -5.137 3.468 -0.542 310 2HB TRP 18 2HB TRP 18 -4.193 3.594 -2.012 311 HD1 TRP 18 HD1 TRP 18 -4.768 5.372 1.289 312 HE1 TRP 18 HE1 TRP 18 -3.106 7.347 1.447 313 HE3 TRP 18 HE3 TRP 18 -2.895 5.305 -3.391 314 HZ2 TRP 18 HZ2 TRP 18 -1.215 8.695 -0.216 315 HZ3 TRP 18 HZ3 TRP 18 -1.196 6.901 -4.099 316 HH2 TRP 18 HH2 TRP 18 -0.333 8.584 -2.543 317 H LYS 19 H LYS 19 -4.678 4.252 -4.110 318 HA LYS 19 HA LYS 19 -3.633 6.809 -4.768 319 1HB LYS 19 1HB LYS 19 -4.221 4.276 -6.326 320 2HB LYS 19 2HB LYS 19 -3.445 5.668 -7.067 321 1HG LYS 19 1HG LYS 19 -1.691 5.579 -5.281 322 2HG LYS 19 2HG LYS 19 -2.409 4.074 -4.716 323 1HD LYS 19 1HD LYS 19 -1.648 2.873 -6.512 324 2HD LYS 19 2HD LYS 19 -1.813 4.235 -7.622 325 1HE LYS 19 1HE LYS 19 0.386 4.719 -7.397 326 2HE LYS 19 2HE LYS 19 0.204 4.846 -5.636 327 1HZ LYS 19 1HZ LYS 19 0.168 2.368 -5.587 328 2HZ LYS 19 2HZ LYS 19 0.614 2.373 -7.227 329 3HZ LYS 19 3HZ LYS 19 1.660 3.028 -6.065 330 H ALA 20 H ALA 20 -6.627 5.149 -5.593 331 HA ALA 20 HA ALA 20 -7.560 6.914 -7.599 332 1HB ALA 20 1HB ALA 20 -8.698 4.992 -5.637 333 2HB ALA 20 2HB ALA 20 -9.827 6.101 -6.413 334 3HB ALA 20 3HB ALA 20 -8.848 5.012 -7.394 335 H ALA 21 H ALA 21 -7.478 7.170 -4.102 336 HA ALA 21 HA ALA 21 -8.764 9.859 -4.305 337 1HB ALA 21 1HB ALA 21 -8.962 7.597 -2.341 338 2HB ALA 21 2HB ALA 21 -9.266 9.244 -1.786 339 3HB ALA 21 3HB ALA 21 -10.261 8.546 -3.066 340 H ASN 22 H ASN 22 -5.916 9.010 -4.473 341 HA ASN 22 HA ASN 22 -4.854 11.027 -2.603 342 1HB ASN 22 1HB ASN 22 -4.037 8.110 -2.516 343 2HB ASN 22 2HB ASN 22 -3.196 9.411 -1.679 344 1HD2 ASN 22 2HD2 ASN 22 -5.437 7.049 -1.165 345 2HD2 ASN 22 1HD2 ASN 22 -6.311 7.743 0.115 346 HA PRO 23 HA PRO 23 -2.571 10.292 -6.666 347 1HB PRO 23 1HB PRO 23 -3.520 12.456 -8.053 348 2HB PRO 23 2HB PRO 23 -4.283 10.856 -8.137 349 1HG PRO 23 1HG PRO 23 -5.092 13.257 -6.586 350 2HG PRO 23 2HG PRO 23 -6.094 12.046 -7.401 351 1HD PRO 23 1HD PRO 23 -5.635 12.090 -4.702 352 2HD PRO 23 2HD PRO 23 -6.054 10.625 -5.604 353 H LEU 24 H LEU 24 -3.506 12.983 -4.653 354 HA LEU 24 HA LEU 24 -1.467 14.875 -5.210 355 1HB LEU 24 1HB LEU 24 -2.271 15.865 -3.243 356 2HB LEU 24 2HB LEU 24 -3.599 14.767 -3.593 357 HG LEU 24 HG LEU 24 -1.288 13.961 -1.803 358 1HD1 LEU 24 1HD1 LEU 24 -2.740 16.079 -1.145 359 2HD1 LEU 24 2HD1 LEU 24 -3.914 14.846 -0.686 360 3HD1 LEU 24 3HD1 LEU 24 -2.316 14.861 0.058 361 1HD2 LEU 24 1HD2 LEU 24 -3.332 12.467 -2.908 362 2HD2 LEU 24 2HD2 LEU 24 -2.485 12.045 -1.421 363 3HD2 LEU 24 3HD2 LEU 24 -4.017 12.920 -1.350 364 H LEU 25 H LEU 25 -1.483 11.936 -3.304 365 HA LEU 25 HA LEU 25 1.391 12.250 -2.600 366 1HB LEU 25 1HB LEU 25 -1.016 10.769 -1.621 367 2HB LEU 25 2HB LEU 25 0.539 9.955 -1.424 368 HG LEU 25 HG LEU 25 0.318 12.831 -0.611 369 1HD1 LEU 25 1HD1 LEU 25 -0.755 10.451 0.924 370 2HD1 LEU 25 2HD1 LEU 25 -0.332 11.979 1.696 371 3HD1 LEU 25 3HD1 LEU 25 -1.616 11.928 0.489 372 1HD2 LEU 25 1HD2 LEU 25 2.383 11.119 -0.624 373 2HD2 LEU 25 2HD2 LEU 25 2.207 12.351 0.626 374 3HD2 LEU 25 3HD2 LEU 25 1.703 10.691 0.945 375 H VAL 26 H VAL 26 0.397 11.835 -5.261 376 HA VAL 26 HA VAL 26 1.841 9.370 -5.985 377 HB VAL 26 HB VAL 26 -1.061 9.706 -5.755 378 1HG1 VAL 26 1HG1 VAL 26 0.089 9.017 -8.471 379 2HG1 VAL 26 2HG1 VAL 26 -1.498 8.450 -7.951 380 3HG1 VAL 26 3HG1 VAL 26 -1.180 10.181 -8.079 381 1HG2 VAL 26 1HG2 VAL 26 0.810 7.408 -6.412 382 2HG2 VAL 26 2HG2 VAL 26 0.170 7.834 -4.822 383 3HG2 VAL 26 3HG2 VAL 26 -0.914 7.217 -6.073 384 H GLY 27 H GLY 27 3.233 10.259 -7.459 385 1HA GLY 27 1HA GLY 27 3.969 11.389 -9.393 386 2HA GLY 27 2HA GLY 27 2.285 11.408 -9.924 387 H VAL 28 H VAL 28 0.873 13.021 -8.619 388 HA VAL 28 HA VAL 28 1.861 15.677 -8.964 389 HB VAL 28 HB VAL 28 -0.413 14.589 -7.273 390 1HG1 VAL 28 1HG1 VAL 28 0.465 17.091 -7.079 391 2HG1 VAL 28 2HG1 VAL 28 -0.423 17.280 -8.590 392 3HG1 VAL 28 3HG1 VAL 28 -1.263 16.744 -7.136 393 1HG2 VAL 28 1HG2 VAL 28 -0.098 14.209 -9.936 394 2HG2 VAL 28 2HG2 VAL 28 -1.677 14.442 -9.185 395 3HG2 VAL 28 3HG2 VAL 28 -0.857 15.801 -9.954 396 H SER 29 H SER 29 2.535 17.218 -7.390 397 HA SER 29 HA SER 29 3.731 17.916 -5.480 398 1HB SER 29 1HB SER 29 1.646 15.982 -4.465 399 2HB SER 29 2HB SER 29 2.704 16.853 -3.358 400 HG SER 29 HG SER 29 1.037 18.015 -5.348 401 H ALA 30 H ALA 30 4.756 16.720 -3.304 402 HA ALA 30 HA ALA 30 6.565 15.372 -2.605 403 1HB ALA 30 1HB ALA 30 4.582 13.664 -4.036 404 2HB ALA 30 2HB ALA 30 6.138 12.929 -3.653 405 3HB ALA 30 3HB ALA 30 5.129 13.583 -2.361 406 H LYS 31 H LYS 31 7.457 16.981 -4.597 407 HA LYS 31 HA LYS 31 9.114 15.140 -6.286 408 1HB LYS 31 1HB LYS 31 7.611 17.669 -7.008 409 2HB LYS 31 2HB LYS 31 8.877 16.996 -8.036 410 1HG LYS 31 1HG LYS 31 6.791 15.092 -7.112 411 2HG LYS 31 2HG LYS 31 6.275 16.307 -8.282 412 1HD LYS 31 1HD LYS 31 7.607 15.464 -9.954 413 2HD LYS 31 2HD LYS 31 8.853 14.920 -8.830 414 1HE LYS 31 1HE LYS 31 7.470 13.023 -8.143 415 2HE LYS 31 2HE LYS 31 6.139 13.593 -9.169 416 1HZ LYS 31 1HZ LYS 31 8.870 13.061 -10.198 417 2HZ LYS 31 2HZ LYS 31 7.632 11.897 -10.227 418 3HZ LYS 31 3HZ LYS 31 7.457 13.340 -11.101 419 HA PRO 32 HA PRO 32 11.685 18.220 -3.975 420 1HB PRO 32 1HB PRO 32 13.270 16.426 -2.661 421 2HB PRO 32 2HB PRO 32 11.713 16.986 -2.021 422 1HG PRO 32 1HG PRO 32 12.415 14.412 -3.293 423 2HG PRO 32 2HG PRO 32 11.206 14.771 -2.053 424 1HD PRO 32 1HD PRO 32 10.698 14.358 -4.766 425 2HD PRO 32 2HD PRO 32 9.580 15.092 -3.598 426 H VAL 33 H VAL 33 12.293 18.298 -6.424 427 HA VAL 33 HA VAL 33 15.080 17.266 -6.712 428 HB VAL 33 HB VAL 33 14.497 16.535 -9.016 429 1HG1 VAL 33 1HG1 VAL 33 14.106 15.161 -6.758 430 2HG1 VAL 33 2HG1 VAL 33 12.430 15.230 -7.301 431 3HG1 VAL 33 3HG1 VAL 33 13.661 14.498 -8.331 432 1HG2 VAL 33 1HG2 VAL 33 11.740 17.450 -8.153 433 2HG2 VAL 33 2HG2 VAL 33 12.669 18.003 -9.546 434 3HG2 VAL 33 3HG2 VAL 33 12.006 16.368 -9.521 435 H ASN 34 H ASN 34 16.427 18.722 -7.796 436 HA ASN 34 HA ASN 34 15.670 21.466 -8.027 437 1HB ASN 34 1HB ASN 34 17.867 21.614 -9.231 438 2HB ASN 34 2HB ASN 34 17.972 20.693 -7.731 439 1HD2 ASN 34 2HD2 ASN 34 18.057 20.429 -11.259 440 2HD2 ASN 34 1HD2 ASN 34 18.583 18.816 -11.302 441 H ARG 35 H ARG 35 14.756 22.598 -9.723 442 HA ARG 35 HA ARG 35 14.022 21.047 -12.167 443 1HB ARG 35 1HB ARG 35 13.011 23.622 -10.919 444 2HB ARG 35 2HB ARG 35 12.367 22.923 -12.403 445 1HG ARG 35 1HG ARG 35 12.458 21.483 -9.736 446 2HG ARG 35 2HG ARG 35 11.034 22.303 -10.376 447 1HD ARG 35 1HD ARG 35 12.482 19.964 -11.674 448 2HD ARG 35 2HD ARG 35 10.875 19.923 -10.924 449 HE ARG 35 HE ARG 35 11.501 21.040 -13.546 450 1HH1 ARG 35 1HH1 ARG 35 9.420 21.209 -10.771 451 2HH1 ARG 35 2HH1 ARG 35 8.108 21.913 -11.654 452 1HH2 ARG 35 1HH2 ARG 35 9.789 21.954 -14.680 453 2HH2 ARG 35 2HH2 ARG 35 8.314 22.332 -13.854 454 HA PRO 36 HA PRO 36 17.338 23.688 -13.841 455 1HB PRO 36 1HB PRO 36 17.849 22.091 -16.004 456 2HB PRO 36 2HB PRO 36 18.540 21.790 -14.398 457 1HG PRO 36 1HG PRO 36 16.224 20.486 -15.735 458 2HG PRO 36 2HG PRO 36 17.480 19.778 -14.708 459 1HD PRO 36 1HD PRO 36 14.965 20.351 -13.829 460 2HD PRO 36 2HD PRO 36 16.394 20.332 -12.774 Start of MODEL 3 1 1H5* G 1 1H5* G 1 11.137 -16.603 0.275 2 2H5* G 1 2H5* G 1 11.723 -15.396 1.440 3 H4* G 1 H4* G 1 11.632 -18.296 2.232 4 H3* G 1 H3* G 1 9.267 -16.385 2.116 5 H2* G 1 H2* G 1 8.527 -17.232 4.202 6 2HO* G 1 2HO* G 1 8.933 -19.230 4.867 7 H1* G 1 H1* G 1 11.082 -17.679 5.241 8 H8 G 1 H8 G 1 10.766 -14.233 3.769 9 H1 G 1 H1 G 1 8.129 -14.872 9.593 10 1H2 G 1 1H2 G 1 7.670 -17.129 9.884 11 2H2 G 1 2H2 G 1 8.995 -18.146 9.363 12 1H5* C 2 1H5* C 2 6.001 -15.989 0.884 13 2H5* C 2 2H5* C 2 7.341 -16.238 2.021 14 H4* C 2 H4* C 2 5.185 -18.087 2.586 15 H3* C 2 H3* C 2 4.501 -15.150 2.350 16 H2* C 2 H2* C 2 3.305 -15.233 4.367 17 2HO* C 2 2HO* C 2 3.335 -18.052 4.006 18 H1* C 2 H1* C 2 5.003 -17.026 5.683 19 1H4 C 2 1H4 C 2 6.105 -11.023 7.630 20 2H4 C 2 2H4 C 2 7.673 -11.168 6.867 21 H5 C 2 H5 C 2 7.317 -12.327 4.557 22 H6 C 2 H6 C 2 7.067 -14.716 3.931 23 1H5* C 3 1H5* C 3 0.178 -13.830 1.587 24 2H5* C 3 2H5* C 3 1.346 -12.574 2.035 25 H4* C 3 H4* C 3 -0.117 -14.505 3.839 26 H3* C 3 H3* C 3 0.092 -11.499 3.588 27 H2* C 3 H2* C 3 -0.101 -11.257 5.916 28 2HO* C 3 2HO* C 3 -1.844 -13.003 5.896 29 H1* C 3 H1* C 3 1.387 -13.506 6.616 30 1H4 C 3 1H4 C 3 5.213 -8.405 7.071 31 2H4 C 3 2H4 C 3 5.610 -8.552 5.374 32 H5 C 3 H5 C 3 4.943 -10.574 4.148 33 H6 C 3 H6 C 3 3.139 -12.198 3.894 34 1H5* C 4 1H5* C 4 -3.723 -11.547 5.634 35 2H5* C 4 2H5* C 4 -4.684 -10.251 4.885 36 H4* C 4 H4* C 4 -4.156 -9.912 7.333 37 H3* C 4 H3* C 4 -3.158 -7.852 5.314 38 H2* C 4 H2* C 4 -2.308 -6.610 7.107 39 2HO* C 4 2HO* C 4 -2.915 -7.119 9.299 40 H1* C 4 H1* C 4 -1.599 -8.810 8.710 41 1H4 C 4 1H4 C 4 3.978 -6.959 6.407 42 2H4 C 4 2H4 C 4 3.382 -6.945 4.766 43 H5 C 4 H5 C 4 1.543 -8.689 4.466 44 H6 C 4 H6 C 4 -0.540 -9.411 5.372 45 1H5* U 5 1H5* U 5 -5.150 -5.876 8.293 46 2H5* U 5 2H5* U 5 -6.312 -4.666 7.697 47 H4* U 5 H4* U 5 -4.904 -3.536 9.243 48 H3* U 5 H3* U 5 -4.055 -2.951 6.395 49 H2* U 5 H2* U 5 -2.411 -1.503 7.269 50 2HO* U 5 2HO* U 5 -2.911 -1.467 9.891 51 H1* U 5 H1* U 5 -1.937 -3.012 9.600 52 H3 U 5 H3 U 5 1.964 -2.464 7.351 53 H5 U 5 H5 U 5 0.130 -5.764 5.576 54 H6 U 5 H6 U 5 -1.958 -5.023 6.586 55 1H5* G 6 1H5* G 6 -2.108 0.293 7.996 56 2H5* G 6 2H5* G 6 -3.290 1.619 7.970 57 H4* G 6 H4* G 6 -1.888 2.656 6.543 58 H3* G 6 H3* G 6 -2.767 0.377 4.729 59 H2* G 6 H2* G 6 -1.165 1.078 3.160 60 2HO* G 6 2HO* G 6 -0.270 3.369 4.322 61 H1* G 6 H1* G 6 0.737 1.943 5.056 62 H8 G 6 H8 G 6 -1.117 -1.458 4.975 63 H1 G 6 H1 G 6 4.871 -1.458 2.619 64 1H2 G 6 1H2 G 6 5.574 0.679 2.389 65 2H2 G 6 2H2 G 6 4.909 1.867 3.496 66 1H5* A 7 1H5* A 7 -4.515 1.823 0.584 67 2H5* A 7 2H5* A 7 -3.604 0.300 0.604 68 H4* A 7 H4* A 7 -2.722 1.713 -1.146 69 H3* A 7 H3* A 7 -0.923 1.592 1.299 70 H2* A 7 H2* A 7 0.626 2.959 0.135 71 2HO* A 7 2HO* A 7 0.419 3.305 -2.130 72 H1* A 7 H1* A 7 -1.313 4.420 -1.256 73 H8 A 7 H8 A 7 -2.332 4.567 2.286 74 1H6 A 7 1H6 A 7 0.540 8.636 3.521 75 2H6 A 7 2H6 A 7 2.227 8.191 3.645 76 H2 A 7 H2 A 7 2.758 6.982 -0.800 77 1H5* A 8 1H5* A 8 1.120 0.586 -1.704 78 2H5* A 8 2H5* A 8 2.396 -0.651 -1.781 79 H4* A 8 H4* A 8 3.412 1.498 -2.163 80 H3* A 8 H3* A 8 3.890 0.389 0.620 81 H2* A 8 H2* A 8 5.168 2.285 1.188 82 2HO* A 8 2HO* A 8 5.946 2.198 -1.298 83 H1* A 8 H1* A 8 3.614 4.131 -0.229 84 H8 A 8 H8 A 8 1.335 1.794 1.616 85 1H6 A 8 1H6 A 8 1.176 4.147 5.887 86 2H6 A 8 2H6 A 8 2.300 5.232 6.675 87 H2 A 8 H2 A 8 5.195 6.571 3.517 88 1H5* A 9 2H5* A 9 8.425 -1.253 -2.063 89 2H5* A 9 1H5* A 9 7.434 -0.284 -0.954 90 H4* A 9 H4* A 9 9.695 0.561 -2.398 91 H3* A 9 H3* A 9 7.520 2.040 -0.895 92 H2* A 9 H2* A 9 8.423 4.085 -1.666 93 2HO* A 9 2HO* A 9 10.514 3.600 -3.067 94 H1* A 9 H1* A 9 9.059 3.157 -4.223 95 H8 A 9 H8 A 9 6.698 4.601 -1.889 96 1H6 A 9 1H6 A 9 2.892 5.574 -6.240 97 2H6 A 9 2H6 A 9 2.368 4.597 -4.887 98 H2 A 9 H2 A 9 5.727 2.111 -7.723 99 1H5* A 10 1H5* A 10 9.875 0.873 4.237 100 2H5* A 10 2H5* A 10 8.259 1.255 3.610 101 H4* A 10 H4* A 10 10.204 3.509 3.803 102 H3* A 10 H3* A 10 8.994 2.080 6.171 103 H2* A 10 H2* A 10 8.414 4.118 7.182 104 2HO* A 10 2HO* A 10 10.577 5.023 5.812 105 H1* A 10 H1* A 10 7.689 5.462 4.854 106 H8 A 10 H8 A 10 6.069 2.414 4.071 107 1H6 A 10 1H6 A 10 1.747 3.522 8.274 108 2H6 A 10 2H6 A 10 2.465 2.136 7.485 109 H2 A 10 H2 A 10 5.354 6.081 9.291 110 1H5* A 11 1H5* A 11 9.871 4.449 8.691 111 2H5* A 11 2H5* A 11 10.548 3.548 10.066 112 H4* A 11 H4* A 11 8.204 4.418 10.423 113 H3* A 11 H3* A 11 8.753 1.440 10.536 114 H2* A 11 H2* A 11 6.473 1.058 11.023 115 2HO* A 11 2HO* A 11 6.474 3.777 11.751 116 H1* A 11 H1* A 11 5.449 3.036 9.377 117 H8 A 11 H8 A 11 8.167 1.182 7.546 118 1H6 A 11 1H6 A 11 3.799 -2.566 5.550 119 2H6 A 11 2H6 A 11 5.426 -2.857 6.114 120 H2 A 11 H2 A 11 2.103 -0.252 9.106 121 1H5* G 12 1H5* G 12 8.709 -1.443 13.512 122 2H5* G 12 2H5* G 12 8.589 -0.578 11.970 123 H4* G 12 H4* G 12 6.419 0.131 13.783 124 H3* G 12 H3* G 12 6.816 -2.782 13.093 125 H2* G 12 H2* G 12 4.511 -2.966 12.583 126 2HO* G 12 2HO* G 12 3.061 -1.859 13.615 127 H1* G 12 H1* G 12 4.256 -0.444 11.393 128 H8 G 12 H8 G 12 7.244 -1.362 9.725 129 H1 G 12 H1 G 12 2.557 -5.463 8.154 130 1H2 G 12 1H2 G 12 0.942 -5.383 9.637 131 2H2 G 12 2H2 G 12 0.908 -4.181 10.908 132 1H5* G 13 1H5* G 13 4.338 -3.364 16.403 133 2H5* G 13 2H5* G 13 4.996 -4.452 17.643 134 H4* G 13 H4* G 13 2.972 -5.439 16.798 135 H3* G 13 H3* G 13 5.465 -6.688 15.611 136 H2* G 13 H2* G 13 4.130 -8.156 14.390 137 2HO* G 13 2HO* G 13 1.739 -8.103 14.839 138 H1* G 13 H1* G 13 2.040 -6.352 13.906 139 H8 G 13 H8 G 13 5.263 -4.663 13.085 140 H1 G 13 H1 G 13 3.466 -8.998 8.692 141 1H2 G 13 1H2 G 13 1.434 -9.881 9.424 142 2H2 G 13 2H2 G 13 1.547 -10.340 11.108 143 1H5* G 14 1H5* G 14 0.976 -9.396 16.510 144 2H5* G 14 2H5* G 14 1.149 -10.147 18.112 145 H4* G 14 H4* G 14 0.956 -12.077 16.887 146 H3* G 14 H3* G 14 3.858 -11.329 16.437 147 H2* G 14 H2* G 14 4.041 -13.255 15.062 148 2HO* G 14 2HO* G 14 1.508 -14.020 16.101 149 H1* G 14 H1* G 14 1.531 -12.960 13.876 150 H8 G 14 H8 G 14 3.644 -9.802 14.356 151 H1 G 14 H1 G 14 4.799 -13.039 8.913 152 1H2 G 14 1H2 G 14 3.885 -15.072 9.078 153 2H2 G 14 2H2 G 14 2.460 -15.261 10.077 154 1H5* C 15 1H5* C 15 3.540 -15.323 17.071 155 2H5* C 15 2H5* C 15 4.582 -15.888 18.400 156 H4* C 15 H4* C 15 5.009 -17.425 16.667 157 H3* C 15 H3* C 15 7.097 -15.229 16.641 158 H2* C 15 H2* C 15 8.156 -16.333 14.844 159 2HO* C 15 2HO* C 15 8.148 -18.432 15.780 160 H1* C 15 H1* C 15 5.776 -17.318 13.695 161 1H4 C 15 1H4 C 15 7.450 -12.652 9.781 162 2H4 C 15 2H4 C 15 7.588 -11.497 11.101 163 H5 C 15 H5 C 15 6.521 -12.020 13.269 164 H6 C 15 H6 C 15 5.829 -13.818 14.734 165 2H ASP 2 2H ASP 2 9.400 -13.607 -1.394 166 1H ASP 2 1H ASP 2 9.469 -14.643 -0.054 167 3H ASP 2 3H ASP 2 10.763 -13.594 -0.380 168 HA ASP 2 HA ASP 2 9.561 -12.605 1.401 169 1HB ASP 2 1HB ASP 2 8.732 -11.345 -1.229 170 2HB ASP 2 2HB ASP 2 8.970 -10.515 0.306 171 H ALA 3 H ALA 3 7.252 -11.054 1.076 172 HA ALA 3 HA ALA 3 4.973 -12.722 0.317 173 1HB ALA 3 1HB ALA 3 5.843 -13.716 2.448 174 2HB ALA 3 2HB ALA 3 5.532 -12.173 3.243 175 3HB ALA 3 3HB ALA 3 4.193 -13.114 2.586 176 H GLN 4 H GLN 4 6.104 -9.969 2.263 177 HA GLN 4 HA GLN 4 3.598 -8.531 2.161 178 1HB GLN 4 1HB GLN 4 5.498 -8.204 3.791 179 2HB GLN 4 2HB GLN 4 6.438 -7.501 2.478 180 1HG GLN 4 1HG GLN 4 4.859 -5.698 2.214 181 2HG GLN 4 2HG GLN 4 3.734 -6.448 3.344 182 1HE2 GLN 4 2HE2 GLN 4 5.369 -3.800 3.425 183 2HE2 GLN 4 1HE2 GLN 4 6.108 -3.843 4.951 184 H THR 5 H THR 5 6.682 -8.055 0.434 185 HA THR 5 HA THR 5 5.861 -6.103 -1.429 186 HB THR 5 HB THR 5 7.655 -8.535 -1.798 187 HG1 THR 5 HG1 THR 5 8.193 -5.859 -1.026 188 1HG2 THR 5 1HG2 THR 5 7.260 -6.013 -3.401 189 2HG2 THR 5 2HG2 THR 5 8.755 -6.945 -3.489 190 3HG2 THR 5 3HG2 THR 5 7.226 -7.684 -3.964 191 H ARG 6 H ARG 6 5.251 -9.547 -1.249 192 HA ARG 6 HA ARG 6 3.971 -9.860 -3.842 193 1HB ARG 6 1HB ARG 6 4.665 -11.391 -1.485 194 2HB ARG 6 2HB ARG 6 2.981 -11.700 -1.917 195 1HG ARG 6 1HG ARG 6 3.645 -12.274 -4.207 196 2HG ARG 6 2HG ARG 6 5.328 -11.897 -3.838 197 1HD ARG 6 1HD ARG 6 4.817 -14.366 -3.728 198 2HD ARG 6 2HD ARG 6 5.410 -13.714 -2.188 199 HE ARG 6 HE ARG 6 3.263 -14.072 -1.269 200 1HH1 ARG 6 1HH1 ARG 6 3.156 -14.112 -4.740 201 2HH1 ARG 6 2HH1 ARG 6 1.493 -14.587 -4.798 202 1HH2 ARG 6 1HH2 ARG 6 1.105 -14.687 -1.359 203 2HH2 ARG 6 2HH2 ARG 6 0.337 -14.911 -2.895 204 H ARG 7 H ARG 7 2.883 -9.524 -0.473 205 HA ARG 7 HA ARG 7 0.104 -9.561 -0.960 206 1HB ARG 7 1HB ARG 7 1.031 -9.730 1.264 207 2HB ARG 7 2HB ARG 7 1.826 -8.162 1.109 208 1HG ARG 7 1HG ARG 7 -0.500 -7.150 0.816 209 2HG ARG 7 2HG ARG 7 -1.145 -8.713 1.313 210 1HD ARG 7 1HD ARG 7 -0.437 -8.453 3.496 211 2HD ARG 7 2HD ARG 7 0.955 -7.456 3.042 212 HE ARG 7 HE ARG 7 -0.458 -5.575 3.170 213 1HH1 ARG 7 1HH1 ARG 7 -2.312 -8.473 2.809 214 2HH1 ARG 7 2HH1 ARG 7 -3.825 -7.658 2.977 215 1HH2 ARG 7 1HH2 ARG 7 -2.386 -4.519 3.387 216 2HH2 ARG 7 2HH2 ARG 7 -3.868 -5.404 3.306 217 H ARG 8 H ARG 8 2.479 -6.972 -1.212 218 HA ARG 8 HA ARG 8 0.793 -4.709 -1.445 219 1HB ARG 8 1HB ARG 8 3.470 -5.275 -1.592 220 2HB ARG 8 2HB ARG 8 3.122 -4.935 -3.285 221 1HG ARG 8 1HG ARG 8 3.689 -2.828 -2.367 222 2HG ARG 8 2HG ARG 8 1.928 -2.819 -2.429 223 1HD ARG 8 1HD ARG 8 2.819 -1.999 -0.230 224 2HD ARG 8 2HD ARG 8 1.819 -3.453 -0.049 225 HE ARG 8 HE ARG 8 3.761 -4.633 0.589 226 1HH1 ARG 8 1HH1 ARG 8 4.578 -1.735 -1.121 227 2HH1 ARG 8 2HH1 ARG 8 6.279 -1.926 -0.875 228 1HH2 ARG 8 1HH2 ARG 8 5.979 -4.875 0.905 229 2HH2 ARG 8 2HH2 ARG 8 7.069 -3.693 0.265 230 H GLU 9 H GLU 9 1.725 -7.155 -3.832 231 HA GLU 9 HA GLU 9 0.461 -5.907 -6.092 232 1HB GLU 9 1HB GLU 9 0.953 -8.819 -5.355 233 2HB GLU 9 2HB GLU 9 0.477 -8.276 -6.963 234 1HG GLU 9 1HG GLU 9 2.682 -6.666 -6.185 235 2HG GLU 9 2HG GLU 9 3.109 -8.332 -5.794 236 H ARG 10 H ARG 10 -0.623 -7.890 -3.424 237 HA ARG 10 HA ARG 10 -3.361 -8.182 -4.380 238 1HB ARG 10 1HB ARG 10 -1.650 -9.138 -2.271 239 2HB ARG 10 2HB ARG 10 -3.120 -8.479 -1.551 240 1HG ARG 10 1HG ARG 10 -4.492 -10.028 -2.592 241 2HG ARG 10 2HG ARG 10 -3.386 -10.248 -3.948 242 1HD ARG 10 1HD ARG 10 -1.814 -11.473 -2.471 243 2HD ARG 10 2HD ARG 10 -2.951 -11.282 -1.121 244 HE ARG 10 HE ARG 10 -3.271 -13.119 -3.363 245 1HH1 ARG 10 1HH1 ARG 10 -4.898 -11.154 -1.007 246 2HH1 ARG 10 2HH1 ARG 10 -6.340 -12.109 -1.036 247 1HH2 ARG 10 1HH2 ARG 10 -5.150 -14.352 -3.390 248 2HH2 ARG 10 2HH2 ARG 10 -6.483 -13.911 -2.376 249 H ARG 11 H ARG 11 -1.473 -5.707 -2.947 250 HA ARG 11 HA ARG 11 -3.849 -4.349 -1.798 251 1HB ARG 11 1HB ARG 11 -0.881 -3.719 -1.832 252 2HB ARG 11 2HB ARG 11 -2.107 -2.741 -1.023 253 1HG ARG 11 1HG ARG 11 -1.382 -5.627 -0.389 254 2HG ARG 11 2HG ARG 11 -1.081 -4.231 0.626 255 1HD ARG 11 1HD ARG 11 -3.171 -4.370 1.506 256 2HD ARG 11 2HD ARG 11 -3.898 -4.372 -0.102 257 HE ARG 11 HE ARG 11 -2.583 -6.894 0.519 258 1HH1 ARG 11 1HH1 ARG 11 -5.491 -5.023 0.848 259 2HH1 ARG 11 2HH1 ARG 11 -6.504 -6.412 1.032 260 1HH2 ARG 11 1HH2 ARG 11 -3.916 -8.691 0.759 261 2HH2 ARG 11 2HH2 ARG 11 -5.620 -8.477 0.982 262 H ALA 12 H ALA 12 -2.540 -4.671 -4.825 263 HA ALA 12 HA ALA 12 -2.222 -2.010 -5.811 264 1HB ALA 12 1HB ALA 12 -3.464 -4.492 -7.075 265 2HB ALA 12 2HB ALA 12 -2.917 -3.078 -7.975 266 3HB ALA 12 3HB ALA 12 -1.752 -4.068 -7.096 267 H GLU 13 H GLU 13 -5.045 -3.835 -4.836 268 HA GLU 13 HA GLU 13 -7.006 -2.026 -6.016 269 1HB GLU 13 1HB GLU 13 -7.108 -4.155 -3.845 270 2HB GLU 13 2HB GLU 13 -8.534 -3.366 -4.519 271 1HG GLU 13 1HG GLU 13 -7.364 -4.135 -6.815 272 2HG GLU 13 2HG GLU 13 -6.728 -5.389 -5.749 273 H LYS 14 H LYS 14 -5.273 -2.376 -2.950 274 HA LYS 14 HA LYS 14 -6.806 -0.264 -1.600 275 1HB LYS 14 1HB LYS 14 -4.160 -1.656 -1.009 276 2HB LYS 14 2HB LYS 14 -5.051 -0.646 0.131 277 1HG LYS 14 1HG LYS 14 -6.414 -2.989 -1.163 278 2HG LYS 14 2HG LYS 14 -5.351 -3.241 0.222 279 1HD LYS 14 1HD LYS 14 -6.865 -1.099 1.054 280 2HD LYS 14 2HD LYS 14 -8.033 -2.034 0.118 281 1HE LYS 14 1HE LYS 14 -6.255 -3.471 2.074 282 2HE LYS 14 2HE LYS 14 -7.689 -2.610 2.666 283 1HZ LYS 14 1HZ LYS 14 -7.676 -4.566 0.428 284 2HZ LYS 14 2HZ LYS 14 -8.209 -4.902 2.006 285 3HZ LYS 14 3HZ LYS 14 -9.039 -3.769 1.055 286 H GLN 15 H GLN 15 -3.820 -0.701 -3.350 287 HA GLN 15 HA GLN 15 -2.681 1.917 -2.939 288 1HB GLN 15 1HB GLN 15 -2.209 -0.597 -4.355 289 2HB GLN 15 2HB GLN 15 -1.717 0.782 -5.322 290 1HG GLN 15 1HG GLN 15 -0.112 1.465 -3.777 291 2HG GLN 15 2HG GLN 15 -0.945 0.685 -2.434 292 1HE2 GLN 15 2HE2 GLN 15 -1.130 -1.858 -2.790 293 2HE2 GLN 15 1HE2 GLN 15 0.289 -2.618 -3.327 294 H ALA 16 H ALA 16 -4.409 0.396 -5.669 295 HA ALA 16 HA ALA 16 -4.498 2.809 -7.265 296 1HB ALA 16 1HB ALA 16 -4.746 0.436 -8.066 297 2HB ALA 16 2HB ALA 16 -6.320 0.372 -7.274 298 3HB ALA 16 3HB ALA 16 -6.055 1.481 -8.619 299 H GLN 17 H GLN 17 -6.487 1.542 -4.648 300 HA GLN 17 HA GLN 17 -8.711 3.397 -5.188 301 1HB GLN 17 1HB GLN 17 -7.905 1.432 -3.041 302 2HB GLN 17 2HB GLN 17 -9.229 2.555 -2.747 303 1HG GLN 17 1HG GLN 17 -9.107 0.778 -5.192 304 2HG GLN 17 2HG GLN 17 -9.916 0.300 -3.700 305 1HE2 GLN 17 2HE2 GLN 17 -10.100 2.465 -6.480 306 2HE2 GLN 17 1HE2 GLN 17 -11.660 3.047 -6.154 307 H TRP 18 H TRP 18 -5.843 3.172 -3.199 308 HA TRP 18 HA TRP 18 -6.325 5.617 -1.679 309 1HB TRP 18 1HB TRP 18 -4.939 3.778 -0.821 310 2HB TRP 18 2HB TRP 18 -3.909 3.862 -2.236 311 HD1 TRP 18 HD1 TRP 18 -4.509 5.583 1.084 312 HE1 TRP 18 HE1 TRP 18 -2.715 7.420 1.390 313 HE3 TRP 18 HE3 TRP 18 -2.410 5.510 -3.500 314 HZ2 TRP 18 HZ2 TRP 18 -0.642 8.671 -0.141 315 HZ3 TRP 18 HZ3 TRP 18 -0.554 6.987 -4.075 316 HH2 TRP 18 HH2 TRP 18 0.346 8.554 -2.425 317 H LYS 19 H LYS 19 -4.231 4.612 -4.341 318 HA LYS 19 HA LYS 19 -2.936 7.084 -4.863 319 1HB LYS 19 1HB LYS 19 -3.651 4.644 -6.504 320 2HB LYS 19 2HB LYS 19 -2.751 5.987 -7.192 321 1HG LYS 19 1HG LYS 19 -1.060 5.746 -5.378 322 2HG LYS 19 2HG LYS 19 -1.917 4.312 -4.818 323 1HD LYS 19 1HD LYS 19 -1.313 3.055 -6.670 324 2HD LYS 19 2HD LYS 19 -1.135 4.474 -7.702 325 1HE LYS 19 1HE LYS 19 1.106 3.847 -7.317 326 2HE LYS 19 2HE LYS 19 0.843 5.070 -6.058 327 1HZ LYS 19 1HZ LYS 19 0.420 2.146 -5.720 328 2HZ LYS 19 2HZ LYS 19 1.763 3.009 -5.136 329 3HZ LYS 19 3HZ LYS 19 0.216 3.332 -4.521 330 H ALA 20 H ALA 20 -6.026 5.733 -5.884 331 HA ALA 20 HA ALA 20 -6.653 7.673 -7.865 332 1HB ALA 20 1HB ALA 20 -8.210 5.880 -6.028 333 2HB ALA 20 2HB ALA 20 -9.047 6.979 -7.121 334 3HB ALA 20 3HB ALA 20 -7.981 5.732 -7.771 335 H ALA 21 H ALA 21 -6.834 7.720 -4.359 336 HA ALA 21 HA ALA 21 -7.935 10.495 -4.501 337 1HB ALA 21 1HB ALA 21 -9.433 8.761 -3.512 338 2HB ALA 21 2HB ALA 21 -8.191 8.420 -2.306 339 3HB ALA 21 3HB ALA 21 -8.985 9.995 -2.337 340 H ASN 22 H ASN 22 -5.138 9.549 -4.561 341 HA ASN 22 HA ASN 22 -4.110 11.369 -2.481 342 1HB ASN 22 1HB ASN 22 -3.417 8.422 -2.600 343 2HB ASN 22 2HB ASN 22 -2.539 9.611 -1.641 344 1HD2 ASN 22 2HD2 ASN 22 -4.911 7.344 -1.359 345 2HD2 ASN 22 1HD2 ASN 22 -5.795 7.996 -0.066 346 HA PRO 23 HA PRO 23 -1.692 10.923 -6.505 347 1HB PRO 23 1HB PRO 23 -2.459 13.294 -7.653 348 2HB PRO 23 2HB PRO 23 -3.305 11.763 -7.954 349 1HG PRO 23 1HG PRO 23 -4.035 14.003 -6.140 350 2HG PRO 23 2HG PRO 23 -5.072 12.978 -7.146 351 1HD PRO 23 1HD PRO 23 -4.761 12.635 -4.457 352 2HD PRO 23 2HD PRO 23 -5.175 11.312 -5.563 353 H LEU 24 H LEU 24 -2.565 13.451 -4.264 354 HA LEU 24 HA LEU 24 -0.377 15.241 -4.481 355 1HB LEU 24 1HB LEU 24 -1.245 16.070 -2.467 356 2HB LEU 24 2HB LEU 24 -2.619 15.133 -3.038 357 HG LEU 24 HG LEU 24 -0.524 13.965 -1.180 358 1HD1 LEU 24 1HD1 LEU 24 -1.604 15.988 -0.182 359 2HD1 LEU 24 2HD1 LEU 24 -3.171 15.212 -0.407 360 3HD1 LEU 24 3HD1 LEU 24 -1.982 14.496 0.680 361 1HD2 LEU 24 1HD2 LEU 24 -2.536 12.735 -2.615 362 2HD2 LEU 24 2HD2 LEU 24 -1.854 12.104 -1.117 363 3HD2 LEU 24 3HD2 LEU 24 -3.337 13.062 -1.083 364 H LEU 25 H LEU 25 -0.688 12.137 -2.872 365 HA LEU 25 HA LEU 25 2.135 12.238 -1.938 366 1HB LEU 25 1HB LEU 25 -0.401 10.786 -1.284 367 2HB LEU 25 2HB LEU 25 1.114 9.927 -0.990 368 HG LEU 25 HG LEU 25 0.822 12.755 -0.021 369 1HD1 LEU 25 1HD1 LEU 25 -1.160 11.157 0.668 370 2HD1 LEU 25 2HD1 LEU 25 0.047 10.452 1.744 371 3HD1 LEU 25 3HD1 LEU 25 -0.375 12.159 1.889 372 1HD2 LEU 25 1HD2 LEU 25 2.932 11.154 0.005 373 2HD2 LEU 25 2HD2 LEU 25 2.581 12.182 1.393 374 3HD2 LEU 25 3HD2 LEU 25 2.136 10.476 1.424 375 H VAL 26 H VAL 26 1.320 12.059 -4.696 376 HA VAL 26 HA VAL 26 2.488 9.420 -5.422 377 HB VAL 26 HB VAL 26 -0.180 10.556 -5.808 378 1HG1 VAL 26 1HG1 VAL 26 1.384 9.655 -8.236 379 2HG1 VAL 26 2HG1 VAL 26 -0.378 9.602 -8.169 380 3HG1 VAL 26 3HG1 VAL 26 0.464 11.146 -8.023 381 1HG2 VAL 26 1HG2 VAL 26 1.197 7.955 -5.674 382 2HG2 VAL 26 2HG2 VAL 26 -0.372 8.443 -5.028 383 3HG2 VAL 26 3HG2 VAL 26 -0.223 7.973 -6.723 384 H GLY 27 H GLY 27 4.319 9.877 -6.550 385 1HA GLY 27 1HA GLY 27 5.825 10.972 -7.987 386 2HA GLY 27 2HA GLY 27 4.401 11.411 -8.932 387 H VAL 28 H VAL 28 3.842 13.538 -8.973 388 HA VAL 28 HA VAL 28 4.148 15.353 -6.749 389 HB VAL 28 HB VAL 28 6.525 15.043 -7.316 390 1HG1 VAL 28 1HG1 VAL 28 5.988 14.416 -9.739 391 2HG1 VAL 28 2HG1 VAL 28 5.883 16.147 -10.059 392 3HG1 VAL 28 3HG1 VAL 28 7.402 15.445 -9.500 393 1HG2 VAL 28 1HG2 VAL 28 5.596 17.334 -6.693 394 2HG2 VAL 28 2HG2 VAL 28 7.130 17.353 -7.565 395 3HG2 VAL 28 3HG2 VAL 28 5.628 17.720 -8.413 396 H SER 29 H SER 29 3.633 17.639 -7.469 397 HA SER 29 HA SER 29 2.127 19.062 -8.597 398 1HB SER 29 1HB SER 29 4.160 18.691 -10.155 399 2HB SER 29 2HB SER 29 3.109 17.601 -11.056 400 HG SER 29 HG SER 29 2.023 19.260 -11.786 401 H ALA 30 H ALA 30 1.115 16.557 -7.663 402 HA ALA 30 HA ALA 30 -1.034 16.008 -9.683 403 1HB ALA 30 1HB ALA 30 0.687 14.189 -9.136 404 2HB ALA 30 2HB ALA 30 0.005 14.159 -7.511 405 3HB ALA 30 3HB ALA 30 -0.997 13.727 -8.895 406 H LYS 31 H LYS 31 -1.331 18.151 -7.978 407 HA LYS 31 HA LYS 31 -3.290 17.141 -5.939 408 1HB LYS 31 1HB LYS 31 -1.454 19.560 -5.837 409 2HB LYS 31 2HB LYS 31 -2.557 19.053 -4.559 410 1HG LYS 31 1HG LYS 31 -1.176 17.387 -3.854 411 2HG LYS 31 2HG LYS 31 -0.699 16.950 -5.492 412 1HD LYS 31 1HD LYS 31 1.248 17.849 -4.384 413 2HD LYS 31 2HD LYS 31 0.700 19.048 -5.556 414 1HE LYS 31 1HE LYS 31 0.300 20.573 -3.924 415 2HE LYS 31 2HE LYS 31 -0.605 19.391 -2.958 416 1HZ LYS 31 1HZ LYS 31 1.514 18.381 -2.315 417 2HZ LYS 31 2HZ LYS 31 2.353 19.583 -3.172 418 3HZ LYS 31 3HZ LYS 31 1.425 20.002 -1.816 419 HA PRO 32 HA PRO 32 -6.080 19.794 -8.113 420 1HB PRO 32 1HB PRO 32 -8.033 20.037 -6.211 421 2HB PRO 32 2HB PRO 32 -7.795 18.559 -7.165 422 1HG PRO 32 1HG PRO 32 -7.002 19.154 -4.368 423 2HG PRO 32 2HG PRO 32 -7.554 17.635 -5.089 424 1HD PRO 32 1HD PRO 32 -4.925 18.233 -4.521 425 2HD PRO 32 2HD PRO 32 -5.452 17.028 -5.715 426 H VAL 33 H VAL 33 -7.210 21.990 -7.738 427 HA VAL 33 HA VAL 33 -5.920 23.632 -5.610 428 HB VAL 33 HB VAL 33 -5.274 25.285 -7.377 429 1HG1 VAL 33 1HG1 VAL 33 -3.844 23.247 -6.523 430 2HG1 VAL 33 2HG1 VAL 33 -4.082 22.642 -8.162 431 3HG1 VAL 33 3HG1 VAL 33 -3.281 24.191 -7.901 432 1HG2 VAL 33 1HG2 VAL 33 -7.061 23.985 -8.959 433 2HG2 VAL 33 2HG2 VAL 33 -5.751 24.978 -9.598 434 3HG2 VAL 33 3HG2 VAL 33 -5.563 23.227 -9.499 435 H ASN 34 H ASN 34 -7.109 25.584 -5.159 436 HA ASN 34 HA ASN 34 -9.883 25.602 -6.298 437 1HB ASN 34 1HB ASN 34 -8.666 25.947 -3.608 438 2HB ASN 34 2HB ASN 34 -10.035 26.998 -3.974 439 1HD2 ASN 34 2HD2 ASN 34 -12.006 25.753 -4.969 440 2HD2 ASN 34 1HD2 ASN 34 -12.344 24.228 -4.307 441 H ARG 35 H ARG 35 -8.128 26.921 -7.891 442 HA ARG 35 HA ARG 35 -7.659 29.684 -7.130 443 1HB ARG 35 1HB ARG 35 -7.163 27.852 -9.342 444 2HB ARG 35 2HB ARG 35 -7.628 29.447 -9.930 445 1HG ARG 35 1HG ARG 35 -5.609 30.282 -9.395 446 2HG ARG 35 2HG ARG 35 -5.789 29.741 -7.727 447 1HD ARG 35 1HD ARG 35 -3.824 28.640 -8.613 448 2HD ARG 35 2HD ARG 35 -5.103 27.411 -8.546 449 HE ARG 35 HE ARG 35 -5.306 28.725 -11.056 450 1HH1 ARG 35 1HH1 ARG 35 -3.134 26.666 -9.296 451 2HH1 ARG 35 2HH1 ARG 35 -2.489 25.930 -10.723 452 1HH2 ARG 35 1HH2 ARG 35 -4.460 27.761 -12.905 453 2HH2 ARG 35 2HH2 ARG 35 -3.235 26.545 -12.756 454 HA PRO 36 HA PRO 36 -11.409 30.611 -9.921 455 1HB PRO 36 1HB PRO 36 -12.897 28.532 -10.891 456 2HB PRO 36 2HB PRO 36 -11.486 29.189 -11.745 457 1HG PRO 36 1HG PRO 36 -11.729 26.725 -10.109 458 2HG PRO 36 2HG PRO 36 -10.773 27.026 -11.566 459 1HD PRO 36 1HD PRO 36 -9.752 26.988 -9.015 460 2HD PRO 36 2HD PRO 36 -9.003 27.830 -10.387 Start of MODEL 4 1 1H5* G 1 1H5* G 1 12.561 -15.196 3.028 2 2H5* G 1 2H5* G 1 13.609 -16.599 2.722 3 H4* G 1 H4* G 1 11.716 -18.109 2.857 4 H3* G 1 H3* G 1 10.074 -15.563 3.051 5 H2* G 1 H2* G 1 8.609 -16.624 4.574 6 2HO* G 1 2HO* G 1 9.767 -19.044 3.626 7 H1* G 1 H1* G 1 10.545 -18.105 5.908 8 H8 G 1 H8 G 1 11.775 -14.599 5.364 9 H1 G 1 H1 G 1 7.418 -15.091 10.057 10 1H2 G 1 1H2 G 1 6.777 -17.264 10.216 11 2H2 G 1 2H2 G 1 6.682 -18.143 8.706 12 1H5* C 2 1H5* C 2 7.060 -18.458 2.463 13 2H5* C 2 2H5* C 2 6.188 -18.002 0.981 14 H4* C 2 H4* C 2 4.567 -18.375 2.741 15 H3* C 2 H3* C 2 5.034 -15.439 2.118 16 H2* C 2 H2* C 2 3.410 -14.875 3.727 17 2HO* C 2 2HO* C 2 2.552 -17.552 3.417 18 H1* C 2 H1* C 2 4.008 -16.968 5.506 19 1H4 C 2 1H4 C 2 6.517 -11.844 8.246 20 2H4 C 2 2H4 C 2 7.855 -11.847 7.121 21 H5 C 2 H5 C 2 7.735 -13.117 5.028 22 H6 C 2 H6 C 2 6.870 -15.206 4.077 23 1H5* C 3 1H5* C 3 0.557 -13.641 1.247 24 2H5* C 3 2H5* C 3 1.766 -12.425 1.693 25 H4* C 3 H4* C 3 0.094 -14.179 3.490 26 H3* C 3 H3* C 3 0.645 -11.221 3.213 27 H2* C 3 H2* C 3 0.407 -10.918 5.519 28 2HO* C 3 2HO* C 3 -0.229 -13.270 6.508 29 H1* C 3 H1* C 3 1.609 -13.301 6.296 30 1H4 C 3 1H4 C 3 6.066 -8.797 6.931 31 2H4 C 3 2H4 C 3 6.295 -8.731 5.198 32 H5 C 3 H5 C 3 5.291 -10.456 3.765 33 H6 C 3 H6 C 3 3.534 -12.118 3.588 34 1H5* C 4 1H5* C 4 -3.841 -10.233 4.636 35 2H5* C 4 2H5* C 4 -2.093 -10.039 4.418 36 H4* C 4 H4* C 4 -3.585 -9.914 7.057 37 H3* C 4 H3* C 4 -2.416 -7.768 5.260 38 H2* C 4 H2* C 4 -1.743 -6.551 7.131 39 2HO* C 4 2HO* C 4 -2.817 -8.134 9.097 40 H1* C 4 H1* C 4 -1.035 -8.747 8.690 41 1H4 C 4 1H4 C 4 4.010 -5.999 5.693 42 2H4 C 4 2H4 C 4 4.464 -7.664 5.422 43 H5 C 4 H5 C 4 2.085 -8.527 4.408 44 H6 C 4 H6 C 4 -0.026 -9.186 5.270 45 1H5* U 5 1H5* U 5 -4.872 -4.664 6.509 46 2H5* U 5 2H5* U 5 -3.447 -5.706 6.540 47 H4* U 5 H4* U 5 -3.967 -4.069 8.981 48 H3* U 5 H3* U 5 -2.981 -2.925 6.335 49 H2* U 5 H2* U 5 -1.411 -1.652 7.530 50 2HO* U 5 2HO* U 5 -2.460 -2.292 10.048 51 H1* U 5 H1* U 5 -0.973 -3.570 9.548 52 H3 U 5 H3 U 5 2.881 -2.455 7.333 53 H5 U 5 H5 U 5 1.105 -5.490 5.050 54 H6 U 5 H6 U 5 -0.884 -5.183 6.362 55 1H5* G 6 1H5* G 6 -2.477 -0.242 7.559 56 2H5* G 6 2H5* G 6 -3.033 1.217 8.395 57 H4* G 6 H4* G 6 -2.270 2.609 6.738 58 H3* G 6 H3* G 6 -2.845 0.338 4.806 59 H2* G 6 H2* G 6 -1.251 1.198 3.332 60 2HO* G 6 2HO* G 6 -0.633 3.534 4.628 61 H1* G 6 H1* G 6 0.530 2.142 5.281 62 H8 G 6 H8 G 6 -1.117 -1.348 5.222 63 H1 G 6 H1 G 6 4.860 -1.065 2.873 64 1H2 G 6 1H2 G 6 5.444 1.072 2.579 65 2H2 G 6 2H2 G 6 4.683 2.292 3.583 66 1H5* A 7 1H5* A 7 -4.749 1.777 0.684 67 2H5* A 7 2H5* A 7 -3.760 0.304 0.729 68 H4* A 7 H4* A 7 -2.973 1.721 -1.068 69 H3* A 7 H3* A 7 -1.145 1.729 1.358 70 H2* A 7 H2* A 7 0.322 3.151 0.162 71 2HO* A 7 2HO* A 7 0.584 3.024 -1.923 72 H1* A 7 H1* A 7 -1.689 4.484 -1.245 73 H8 A 7 H8 A 7 -2.642 4.668 2.330 74 1H6 A 7 1H6 A 7 0.237 9.163 3.166 75 2H6 A 7 2H6 A 7 1.643 8.253 3.669 76 H2 A 7 H2 A 7 2.238 7.218 -0.971 77 1H5* A 8 1H5* A 8 0.779 0.702 -1.627 78 2H5* A 8 2H5* A 8 2.074 -0.491 -1.873 79 H4* A 8 H4* A 8 3.068 1.663 -2.146 80 H3* A 8 H3* A 8 3.588 0.500 0.608 81 H2* A 8 H2* A 8 4.938 2.384 1.119 82 2HO* A 8 2HO* A 8 4.769 3.154 -1.613 83 H1* A 8 H1* A 8 3.290 4.228 -0.205 84 H8 A 8 H8 A 8 1.040 1.969 1.694 85 1H6 A 8 1H6 A 8 2.463 5.144 6.826 86 2H6 A 8 2H6 A 8 1.271 4.107 6.073 87 H2 A 8 H2 A 8 5.326 6.368 3.593 88 1H5* A 9 2H5* A 9 8.149 -1.019 -2.234 89 2H5* A 9 1H5* A 9 7.164 -0.100 -1.075 90 H4* A 9 H4* A 9 9.307 0.869 -2.599 91 H3* A 9 H3* A 9 7.073 2.243 -1.082 92 H2* A 9 H2* A 9 7.872 4.324 -1.887 93 2HO* A 9 2HO* A 9 9.905 4.647 -2.242 94 H1* A 9 H1* A 9 8.492 3.384 -4.444 95 H8 A 9 H8 A 9 6.114 4.733 -2.065 96 1H6 A 9 1H6 A 9 2.344 5.738 -5.757 97 2H6 A 9 2H6 A 9 1.527 4.209 -5.524 98 H2 A 9 H2 A 9 5.121 2.125 -7.843 99 1H5* A 10 1H5* A 10 9.725 0.815 3.927 100 2H5* A 10 2H5* A 10 8.126 1.361 3.393 101 H4* A 10 H4* A 10 10.261 3.432 3.515 102 H3* A 10 H3* A 10 9.127 2.019 5.925 103 H2* A 10 H2* A 10 8.780 4.054 7.043 104 2HO* A 10 2HO* A 10 10.479 5.216 5.084 105 H1* A 10 H1* A 10 7.991 5.536 4.822 106 H8 A 10 H8 A 10 6.037 2.738 4.000 107 1H6 A 10 1H6 A 10 2.423 3.018 7.326 108 2H6 A 10 2H6 A 10 2.509 3.369 9.037 109 H2 A 10 H2 A 10 6.141 5.982 9.539 110 1H5* A 11 1H5* A 11 10.497 4.872 9.138 111 2H5* A 11 2H5* A 11 11.284 3.528 9.997 112 H4* A 11 H4* A 11 8.942 4.410 10.803 113 H3* A 11 H3* A 11 9.707 1.500 10.455 114 H2* A 11 H2* A 11 7.535 0.847 11.083 115 2HO* A 11 2HO* A 11 6.112 2.197 12.142 116 H1* A 11 H1* A 11 6.175 2.934 9.850 117 H8 A 11 H8 A 11 8.910 1.464 7.661 118 1H6 A 11 1H6 A 11 5.156 -3.052 6.221 119 2H6 A 11 2H6 A 11 5.794 -1.789 5.196 120 H2 A 11 H2 A 11 2.980 -0.407 9.284 121 1H5* G 12 1H5* G 12 9.372 -1.617 13.600 122 2H5* G 12 2H5* G 12 9.242 -0.749 12.060 123 H4* G 12 H4* G 12 7.115 -0.018 13.925 124 H3* G 12 H3* G 12 7.467 -2.926 13.160 125 H2* G 12 H2* G 12 5.162 -3.089 12.678 126 2HO* G 12 2HO* G 12 3.704 -1.422 13.296 127 H1* G 12 H1* G 12 4.889 -0.540 11.569 128 H8 G 12 H8 G 12 7.846 -1.381 9.812 129 H1 G 12 H1 G 12 3.150 -5.446 8.182 130 1H2 G 12 1H2 G 12 1.311 -4.918 9.510 131 2H2 G 12 2H2 G 12 1.787 -4.755 11.186 132 1H5* G 13 1H5* G 13 4.878 -3.463 16.346 133 2H5* G 13 2H5* G 13 5.329 -4.739 17.495 134 H4* G 13 H4* G 13 3.210 -5.269 16.392 135 H3* G 13 H3* G 13 5.571 -6.933 15.449 136 H2* G 13 H2* G 13 4.144 -8.114 14.045 137 2HO* G 13 2HO* G 13 1.778 -6.985 14.983 138 H1* G 13 H1* G 13 2.467 -5.950 13.419 139 H8 G 13 H8 G 13 5.920 -4.751 12.868 140 H1 G 13 H1 G 13 4.004 -8.963 8.407 141 1H2 G 13 1H2 G 13 1.947 -9.714 8.977 142 2H2 G 13 2H2 G 13 1.649 -9.908 10.690 143 1H5* G 14 1H5* G 14 0.468 -8.575 15.984 144 2H5* G 14 2H5* G 14 0.363 -9.397 17.557 145 H4* G 14 H4* G 14 -0.280 -11.115 16.131 146 H3* G 14 H3* G 14 2.746 -11.287 16.218 147 H2* G 14 H2* G 14 2.582 -13.160 14.767 148 2HO* G 14 2HO* G 14 -0.223 -13.165 14.862 149 H1* G 14 H1* G 14 0.524 -12.098 13.210 150 H8 G 14 H8 G 14 3.334 -9.706 14.195 151 H1 G 14 H1 G 14 4.450 -13.122 8.859 152 1H2 G 14 1H2 G 14 2.614 -14.394 8.445 153 2H2 G 14 2H2 G 14 1.811 -15.043 9.857 154 1H5* C 15 1H5* C 15 1.046 -15.017 16.341 155 2H5* C 15 2H5* C 15 1.740 -16.031 17.627 156 H4* C 15 H4* C 15 1.818 -17.291 15.564 157 H3* C 15 H3* C 15 4.520 -16.163 16.366 158 H2* C 15 H2* C 15 5.463 -17.261 14.503 159 2HO* C 15 2HO* C 15 3.384 -18.680 13.549 160 H1* C 15 H1* C 15 3.207 -16.960 12.840 161 1H4 C 15 1H4 C 15 7.458 -12.825 10.621 162 2H4 C 15 2H4 C 15 7.512 -11.965 12.148 163 H5 C 15 H5 C 15 5.756 -12.363 13.830 164 H6 C 15 H6 C 15 4.195 -13.993 14.677 165 2H ASP 2 2H ASP 2 9.924 -12.617 -2.449 166 1H ASP 2 1H ASP 2 9.924 -14.012 -1.483 167 3H ASP 2 3H ASP 2 11.314 -13.040 -1.566 168 HA ASP 2 HA ASP 2 10.340 -12.472 0.487 169 1HB ASP 2 1HB ASP 2 9.310 -10.486 -1.556 170 2HB ASP 2 2HB ASP 2 9.858 -10.146 0.083 171 H ALA 3 H ALA 3 8.121 -10.837 0.888 172 HA ALA 3 HA ALA 3 5.732 -12.376 0.020 173 1HB ALA 3 1HB ALA 3 6.701 -12.024 2.869 174 2HB ALA 3 2HB ALA 3 5.085 -12.594 2.453 175 3HB ALA 3 3HB ALA 3 6.500 -13.544 1.998 176 H GLN 4 H GLN 4 7.020 -9.655 1.916 177 HA GLN 4 HA GLN 4 4.508 -8.237 2.058 178 1HB GLN 4 1HB GLN 4 6.697 -8.032 3.458 179 2HB GLN 4 2HB GLN 4 7.280 -7.023 2.134 180 1HG GLN 4 1HG GLN 4 4.732 -6.030 2.664 181 2HG GLN 4 2HG GLN 4 5.390 -6.371 4.257 182 1HE2 GLN 4 2HE2 GLN 4 5.138 -3.883 2.142 183 2HE2 GLN 4 1HE2 GLN 4 6.579 -3.053 2.474 184 H THR 5 H THR 5 7.431 -7.664 0.081 185 HA THR 5 HA THR 5 6.348 -5.677 -1.637 186 HB THR 5 HB THR 5 8.300 -7.959 -2.135 187 HG1 THR 5 HG1 THR 5 9.237 -6.674 -0.705 188 1HG2 THR 5 1HG2 THR 5 7.519 -5.574 -3.801 189 2HG2 THR 5 2HG2 THR 5 9.121 -6.297 -3.948 190 3HG2 THR 5 3HG2 THR 5 7.683 -7.258 -4.297 191 H ARG 6 H ARG 6 5.944 -9.151 -1.487 192 HA ARG 6 HA ARG 6 4.567 -9.489 -4.021 193 1HB ARG 6 1HB ARG 6 5.379 -11.014 -1.675 194 2HB ARG 6 2HB ARG 6 3.740 -11.441 -2.178 195 1HG ARG 6 1HG ARG 6 4.560 -12.640 -3.904 196 2HG ARG 6 2HG ARG 6 5.394 -11.214 -4.524 197 1HD ARG 6 1HD ARG 6 7.289 -12.428 -4.079 198 2HD ARG 6 2HD ARG 6 7.006 -11.920 -2.402 199 HE ARG 6 HE ARG 6 6.281 -14.114 -1.920 200 1HH1 ARG 6 1HH1 ARG 6 6.220 -13.502 -5.337 201 2HH1 ARG 6 2HH1 ARG 6 5.808 -15.133 -5.741 202 1HH2 ARG 6 1HH2 ARG 6 5.745 -16.232 -2.457 203 2HH2 ARG 6 2HH2 ARG 6 5.539 -16.672 -4.120 204 H ARG 7 H ARG 7 3.584 -9.194 -0.602 205 HA ARG 7 HA ARG 7 0.797 -9.427 -1.044 206 1HB ARG 7 1HB ARG 7 1.751 -9.555 1.164 207 2HB ARG 7 2HB ARG 7 2.463 -7.949 1.012 208 1HG ARG 7 1HG ARG 7 0.043 -7.094 0.732 209 2HG ARG 7 2HG ARG 7 -0.454 -8.678 1.326 210 1HD ARG 7 1HD ARG 7 0.387 -8.292 3.448 211 2HD ARG 7 2HD ARG 7 1.616 -7.158 2.874 212 HE ARG 7 HE ARG 7 0.001 -5.436 3.015 213 1HH1 ARG 7 1HH1 ARG 7 -1.484 -8.574 3.000 214 2HH1 ARG 7 2HH1 ARG 7 -3.071 -7.956 3.298 215 1HH2 ARG 7 1HH2 ARG 7 -2.073 -4.644 3.402 216 2HH2 ARG 7 2HH2 ARG 7 -3.405 -5.745 3.524 217 H ARG 8 H ARG 8 2.994 -6.690 -1.328 218 HA ARG 8 HA ARG 8 1.168 -4.530 -1.523 219 1HB ARG 8 1HB ARG 8 3.880 -4.967 -1.743 220 2HB ARG 8 2HB ARG 8 3.466 -4.605 -3.412 221 1HG ARG 8 1HG ARG 8 4.110 -2.578 -2.091 222 2HG ARG 8 2HG ARG 8 2.491 -2.477 -2.772 223 1HD ARG 8 1HD ARG 8 2.940 -1.840 -0.215 224 2HD ARG 8 2HD ARG 8 1.457 -2.684 -0.686 225 HE ARG 8 HE ARG 8 3.676 -4.497 -0.101 226 1HH1 ARG 8 1HH1 ARG 8 1.028 -2.679 1.194 227 2HH1 ARG 8 2HH1 ARG 8 0.847 -3.702 2.572 228 1HH2 ARG 8 1HH2 ARG 8 3.428 -5.815 1.687 229 2HH2 ARG 8 2HH2 ARG 8 2.197 -5.464 2.851 230 H GLU 9 H GLU 9 2.243 -6.864 -3.962 231 HA GLU 9 HA GLU 9 0.825 -5.706 -6.171 232 1HB GLU 9 1HB GLU 9 1.521 -8.592 -5.505 233 2HB GLU 9 2HB GLU 9 1.042 -8.022 -7.103 234 1HG GLU 9 1HG GLU 9 3.132 -6.313 -6.232 235 2HG GLU 9 2HG GLU 9 3.651 -7.960 -5.878 236 H ARG 10 H ARG 10 -0.056 -7.777 -3.503 237 HA ARG 10 HA ARG 10 -2.772 -8.293 -4.432 238 1HB ARG 10 1HB ARG 10 -0.963 -9.070 -2.310 239 2HB ARG 10 2HB ARG 10 -2.520 -8.609 -1.625 240 1HG ARG 10 1HG ARG 10 -3.680 -10.259 -2.824 241 2HG ARG 10 2HG ARG 10 -2.393 -10.425 -4.019 242 1HD ARG 10 1HD ARG 10 -0.985 -11.611 -2.490 243 2HD ARG 10 2HD ARG 10 -2.002 -11.167 -1.105 244 HE ARG 10 HE ARG 10 -3.504 -12.882 -1.720 245 1HH1 ARG 10 1HH1 ARG 10 -1.376 -12.087 -4.347 246 2HH1 ARG 10 2HH1 ARG 10 -1.943 -13.378 -5.350 247 1HH2 ARG 10 1HH2 ARG 10 -4.231 -14.556 -3.033 248 2HH2 ARG 10 2HH2 ARG 10 -3.550 -14.768 -4.612 249 H ARG 11 H ARG 11 -1.076 -5.688 -2.978 250 HA ARG 11 HA ARG 11 -3.534 -4.551 -1.768 251 1HB ARG 11 1HB ARG 11 -0.639 -3.656 -1.893 252 2HB ARG 11 2HB ARG 11 -1.920 -2.799 -1.037 253 1HG ARG 11 1HG ARG 11 -0.961 -5.623 -0.465 254 2HG ARG 11 2HG ARG 11 -0.686 -4.217 0.547 255 1HD ARG 11 1HD ARG 11 -2.723 -4.455 1.527 256 2HD ARG 11 2HD ARG 11 -3.527 -4.549 -0.043 257 HE ARG 11 HE ARG 11 -2.038 -6.965 0.443 258 1HH1 ARG 11 1HH1 ARG 11 -4.926 -5.257 1.335 259 2HH1 ARG 11 2HH1 ARG 11 -5.802 -6.698 1.720 260 1HH2 ARG 11 1HH2 ARG 11 -3.186 -8.833 0.948 261 2HH2 ARG 11 2HH2 ARG 11 -4.822 -8.713 1.503 262 H ALA 12 H ALA 12 -2.289 -4.718 -4.841 263 HA ALA 12 HA ALA 12 -2.256 -2.033 -5.804 264 1HB ALA 12 1HB ALA 12 -1.669 -4.079 -7.100 265 2HB ALA 12 2HB ALA 12 -3.363 -4.572 -7.083 266 3HB ALA 12 3HB ALA 12 -2.876 -3.119 -7.956 267 H GLU 13 H GLU 13 -4.870 -4.105 -4.745 268 HA GLU 13 HA GLU 13 -7.025 -2.470 -5.837 269 1HB GLU 13 1HB GLU 13 -6.712 -4.764 -3.903 270 2HB GLU 13 2HB GLU 13 -8.263 -3.934 -4.032 271 1HG GLU 13 1HG GLU 13 -8.545 -4.550 -6.288 272 2HG GLU 13 2HG GLU 13 -6.832 -4.911 -6.497 273 H LYS 14 H LYS 14 -5.164 -2.689 -2.833 274 HA LYS 14 HA LYS 14 -6.835 -0.738 -1.409 275 1HB LYS 14 1HB LYS 14 -4.068 -1.924 -0.941 276 2HB LYS 14 2HB LYS 14 -4.946 -0.946 0.236 277 1HG LYS 14 1HG LYS 14 -6.214 -3.406 -0.946 278 2HG LYS 14 2HG LYS 14 -5.102 -3.536 0.419 279 1HD LYS 14 1HD LYS 14 -6.718 -1.482 1.240 280 2HD LYS 14 2HD LYS 14 -7.857 -2.477 0.333 281 1HE LYS 14 1HE LYS 14 -6.908 -4.478 1.661 282 2HE LYS 14 2HE LYS 14 -6.196 -3.261 2.737 283 1HZ LYS 14 1HZ LYS 14 -9.061 -3.399 1.950 284 2HZ LYS 14 2HZ LYS 14 -8.436 -3.876 3.457 285 3HZ LYS 14 3HZ LYS 14 -8.367 -2.247 2.991 286 H GLN 15 H GLN 15 -3.873 -0.873 -3.247 287 HA GLN 15 HA GLN 15 -2.987 1.842 -2.868 288 1HB GLN 15 1HB GLN 15 -2.315 -0.618 -4.295 289 2HB GLN 15 2HB GLN 15 -2.005 0.792 -5.292 290 1HG GLN 15 1HG GLN 15 -0.400 1.636 -3.836 291 2HG GLN 15 2HG GLN 15 -1.116 0.834 -2.438 292 1HE2 GLN 15 2HE2 GLN 15 -1.036 -1.688 -2.591 293 2HE2 GLN 15 1HE2 GLN 15 0.406 -2.357 -3.191 294 H ALA 16 H ALA 16 -4.636 0.158 -5.554 295 HA ALA 16 HA ALA 16 -4.998 2.526 -7.161 296 1HB ALA 16 1HB ALA 16 -5.113 0.107 -7.889 297 2HB ALA 16 2HB ALA 16 -6.666 -0.016 -7.061 298 3HB ALA 16 3HB ALA 16 -6.485 1.072 -8.437 299 H GLN 17 H GLN 17 -6.793 1.140 -4.461 300 HA GLN 17 HA GLN 17 -9.160 2.818 -4.909 301 1HB GLN 17 1HB GLN 17 -8.104 0.915 -2.832 302 2HB GLN 17 2HB GLN 17 -9.439 1.981 -2.400 303 1HG GLN 17 1HG GLN 17 -9.492 0.284 -4.900 304 2HG GLN 17 2HG GLN 17 -10.080 -0.315 -3.349 305 1HE2 GLN 17 2HE2 GLN 17 -11.863 0.036 -5.562 306 2HE2 GLN 17 1HE2 GLN 17 -12.935 1.299 -5.192 307 H TRP 18 H TRP 18 -6.218 2.848 -3.000 308 HA TRP 18 HA TRP 18 -6.833 5.287 -1.521 309 1HB TRP 18 1HB TRP 18 -5.284 3.597 -0.665 310 2HB TRP 18 2HB TRP 18 -4.316 3.700 -2.121 311 HD1 TRP 18 HD1 TRP 18 -4.898 5.478 1.170 312 HE1 TRP 18 HE1 TRP 18 -3.223 7.439 1.352 313 HE3 TRP 18 HE3 TRP 18 -2.969 5.414 -3.490 314 HZ2 TRP 18 HZ2 TRP 18 -1.297 8.778 -0.286 315 HZ3 TRP 18 HZ3 TRP 18 -1.240 6.989 -4.172 316 HH2 TRP 18 HH2 TRP 18 -0.382 8.656 -2.597 317 H LYS 19 H LYS 19 -4.757 4.387 -4.231 318 HA LYS 19 HA LYS 19 -3.679 6.935 -4.860 319 1HB LYS 19 1HB LYS 19 -4.302 4.432 -6.451 320 2HB LYS 19 2HB LYS 19 -3.498 5.818 -7.170 321 1HG LYS 19 1HG LYS 19 -1.724 5.672 -5.443 322 2HG LYS 19 2HG LYS 19 -2.497 4.225 -4.802 323 1HD LYS 19 1HD LYS 19 -0.910 3.303 -6.241 324 2HD LYS 19 2HD LYS 19 -2.334 3.376 -7.281 325 1HE LYS 19 1HE LYS 19 -1.439 5.024 -8.606 326 2HE LYS 19 2HE LYS 19 -0.632 5.818 -7.239 327 1HZ LYS 19 1HZ LYS 19 0.861 3.848 -7.131 328 2HZ LYS 19 2HZ LYS 19 0.185 3.304 -8.592 329 3HZ LYS 19 3HZ LYS 19 1.045 4.768 -8.544 330 H ALA 20 H ALA 20 -6.688 5.320 -5.725 331 HA ALA 20 HA ALA 20 -7.574 7.166 -7.692 332 1HB ALA 20 1HB ALA 20 -8.822 5.215 -5.796 333 2HB ALA 20 2HB ALA 20 -9.868 6.283 -6.733 334 3HB ALA 20 3HB ALA 20 -8.776 5.170 -7.558 335 H ALA 21 H ALA 21 -7.585 7.248 -4.185 336 HA ALA 21 HA ALA 21 -8.932 9.915 -4.285 337 1HB ALA 21 1HB ALA 21 -9.125 7.532 -2.512 338 2HB ALA 21 2HB ALA 21 -9.265 9.107 -1.731 339 3HB ALA 21 3HB ALA 21 -10.390 8.655 -3.013 340 H ASN 22 H ASN 22 -6.074 9.220 -4.540 341 HA ASN 22 HA ASN 22 -5.056 11.170 -2.577 342 1HB ASN 22 1HB ASN 22 -4.160 8.277 -2.677 343 2HB ASN 22 2HB ASN 22 -3.277 9.552 -1.839 344 1HD2 ASN 22 2HD2 ASN 22 -5.514 7.168 -1.309 345 2HD2 ASN 22 1HD2 ASN 22 -6.299 7.806 0.054 346 HA PRO 23 HA PRO 23 -2.909 10.788 -6.767 347 1HB PRO 23 1HB PRO 23 -3.956 13.046 -7.920 348 2HB PRO 23 2HB PRO 23 -4.691 11.440 -8.114 349 1HG PRO 23 1HG PRO 23 -5.464 13.669 -6.301 350 2HG PRO 23 2HG PRO 23 -6.488 12.543 -7.208 351 1HD PRO 23 1HD PRO 23 -5.972 12.287 -4.546 352 2HD PRO 23 2HD PRO 23 -6.329 10.907 -5.598 353 H LEU 24 H LEU 24 -3.813 13.278 -4.505 354 HA LEU 24 HA LEU 24 -1.807 15.238 -4.970 355 1HB LEU 24 1HB LEU 24 -2.582 16.075 -2.922 356 2HB LEU 24 2HB LEU 24 -3.908 14.992 -3.325 357 HG LEU 24 HG LEU 24 -1.552 14.093 -1.638 358 1HD1 LEU 24 1HD1 LEU 24 -2.986 16.120 -0.776 359 2HD1 LEU 24 2HD1 LEU 24 -4.192 14.874 -0.454 360 3HD1 LEU 24 3HD1 LEU 24 -2.606 14.786 0.312 361 1HD2 LEU 24 1HD2 LEU 24 -3.607 12.655 -2.822 362 2HD2 LEU 24 2HD2 LEU 24 -2.689 12.121 -1.416 363 3HD2 LEU 24 3HD2 LEU 24 -4.234 12.949 -1.203 364 H LEU 25 H LEU 25 -1.758 12.168 -3.291 365 HA LEU 25 HA LEU 25 1.130 12.465 -2.628 366 1HB LEU 25 1HB LEU 25 -1.228 10.839 -1.718 367 2HB LEU 25 2HB LEU 25 0.382 10.143 -1.514 368 HG LEU 25 HG LEU 25 -0.213 12.952 -0.596 369 1HD1 LEU 25 1HD1 LEU 25 -1.716 10.944 0.359 370 2HD1 LEU 25 2HD1 LEU 25 -0.283 10.699 1.358 371 3HD1 LEU 25 3HD1 LEU 25 -1.133 12.246 1.395 372 1HD2 LEU 25 1HD2 LEU 25 2.135 11.721 -0.824 373 2HD2 LEU 25 2HD2 LEU 25 1.793 12.764 0.556 374 3HD2 LEU 25 3HD2 LEU 25 1.656 11.013 0.718 375 H VAL 26 H VAL 26 0.078 12.204 -5.282 376 HA VAL 26 HA VAL 26 1.474 9.757 -6.174 377 HB VAL 26 HB VAL 26 -1.417 10.207 -5.934 378 1HG1 VAL 26 1HG1 VAL 26 -0.261 9.574 -8.657 379 2HG1 VAL 26 2HG1 VAL 26 -1.878 9.056 -8.181 380 3HG1 VAL 26 3HG1 VAL 26 -1.485 10.777 -8.232 381 1HG2 VAL 26 1HG2 VAL 26 0.415 7.881 -6.558 382 2HG2 VAL 26 2HG2 VAL 26 -0.399 8.246 -5.034 383 3HG2 VAL 26 3HG2 VAL 26 -1.338 7.704 -6.427 384 H GLY 27 H GLY 27 2.859 10.634 -7.668 385 1HA GLY 27 1HA GLY 27 3.531 11.779 -9.631 386 2HA GLY 27 2HA GLY 27 1.832 12.159 -9.930 387 H VAL 28 H VAL 28 1.021 13.638 -7.860 388 HA VAL 28 HA VAL 28 1.947 16.246 -8.234 389 HB VAL 28 HB VAL 28 0.583 14.737 -6.014 390 1HG1 VAL 28 1HG1 VAL 28 1.888 16.517 -4.885 391 2HG1 VAL 28 2HG1 VAL 28 1.188 17.711 -5.979 392 3HG1 VAL 28 3HG1 VAL 28 0.157 16.857 -4.831 393 1HG2 VAL 28 1HG2 VAL 28 -0.154 16.718 -8.151 394 2HG2 VAL 28 2HG2 VAL 28 -0.880 15.152 -7.789 395 3HG2 VAL 28 3HG2 VAL 28 -1.186 16.531 -6.733 396 H SER 29 H SER 29 3.062 17.603 -6.416 397 HA SER 29 HA SER 29 5.744 16.835 -6.084 398 1HB SER 29 1HB SER 29 5.640 18.636 -4.259 399 2HB SER 29 2HB SER 29 5.106 19.116 -5.867 400 HG SER 29 HG SER 29 3.233 19.505 -5.020 401 H ALA 30 H ALA 30 5.476 14.561 -5.351 402 HA ALA 30 HA ALA 30 5.965 14.246 -2.535 403 1HB ALA 30 1HB ALA 30 3.488 14.708 -2.575 404 2HB ALA 30 2HB ALA 30 3.281 13.277 -3.581 405 3HB ALA 30 3HB ALA 30 3.876 13.114 -1.929 406 H LYS 31 H LYS 31 7.197 13.500 -4.940 407 HA LYS 31 HA LYS 31 7.074 10.513 -4.752 408 1HB LYS 31 1HB LYS 31 7.458 10.604 -7.289 409 2HB LYS 31 2HB LYS 31 5.857 11.084 -6.732 410 1HG LYS 31 1HG LYS 31 6.128 13.228 -7.429 411 2HG LYS 31 2HG LYS 31 7.781 13.309 -6.814 412 1HD LYS 31 1HD LYS 31 8.184 13.420 -9.095 413 2HD LYS 31 2HD LYS 31 8.267 11.676 -8.846 414 1HE LYS 31 1HE LYS 31 5.737 11.652 -9.366 415 2HE LYS 31 2HE LYS 31 5.987 13.290 -10.002 416 1HZ LYS 31 1HZ LYS 31 7.637 10.943 -10.766 417 2HZ LYS 31 2HZ LYS 31 6.326 11.512 -11.684 418 3HZ LYS 31 3HZ LYS 31 7.688 12.496 -11.453 419 HA PRO 32 HA PRO 32 11.391 11.938 -4.226 420 1HB PRO 32 1HB PRO 32 12.100 9.932 -2.505 421 2HB PRO 32 2HB PRO 32 11.302 11.426 -1.972 422 1HG PRO 32 1HG PRO 32 10.148 8.722 -2.427 423 2HG PRO 32 2HG PRO 32 9.774 9.915 -1.173 424 1HD PRO 32 1HD PRO 32 8.221 9.493 -3.382 425 2HD PRO 32 2HD PRO 32 8.290 11.035 -2.500 426 H VAL 33 H VAL 33 13.198 11.123 -5.325 427 HA VAL 33 HA VAL 33 12.977 8.360 -6.474 428 HB VAL 33 HB VAL 33 13.984 9.406 -8.551 429 1HG1 VAL 33 1HG1 VAL 33 11.273 9.953 -7.457 430 2HG1 VAL 33 2HG1 VAL 33 11.737 10.861 -8.895 431 3HG1 VAL 33 3HG1 VAL 33 11.743 9.098 -8.926 432 1HG2 VAL 33 1HG2 VAL 33 14.595 11.501 -6.956 433 2HG2 VAL 33 2HG2 VAL 33 14.396 11.660 -8.700 434 3HG2 VAL 33 3HG2 VAL 33 13.068 12.080 -7.619 435 H ASN 34 H ASN 34 14.575 9.734 -4.191 436 HA ASN 34 HA ASN 34 16.781 9.670 -3.350 437 1HB ASN 34 1HB ASN 34 16.123 7.266 -4.805 438 2HB ASN 34 2HB ASN 34 17.844 7.600 -4.989 439 1HD2 ASN 34 2HD2 ASN 34 15.362 7.627 -2.356 440 2HD2 ASN 34 1HD2 ASN 34 16.399 6.976 -1.180 441 H ARG 35 H ARG 35 16.498 11.681 -5.192 442 HA ARG 35 HA ARG 35 19.187 11.760 -6.439 443 1HB ARG 35 1HB ARG 35 16.879 10.995 -7.843 444 2HB ARG 35 2HB ARG 35 17.132 12.680 -8.295 445 1HG ARG 35 1HG ARG 35 19.611 11.989 -8.641 446 2HG ARG 35 2HG ARG 35 18.992 10.337 -8.656 447 1HD ARG 35 1HD ARG 35 17.942 12.554 -10.449 448 2HD ARG 35 2HD ARG 35 19.120 11.328 -10.958 449 HE ARG 35 HE ARG 35 16.275 10.875 -10.532 450 1HH1 ARG 35 1HH1 ARG 35 19.449 9.473 -10.386 451 2HH1 ARG 35 2HH1 ARG 35 18.870 7.856 -10.593 452 1HH2 ARG 35 1HH2 ARG 35 15.536 8.769 -10.800 453 2HH2 ARG 35 2HH2 ARG 35 16.668 7.458 -10.827 454 HA PRO 36 HA PRO 36 17.279 15.763 -4.797 455 1HB PRO 36 1HB PRO 36 18.834 16.064 -2.565 456 2HB PRO 36 2HB PRO 36 17.281 15.205 -2.550 457 1HG PRO 36 1HG PRO 36 20.046 14.113 -2.620 458 2HG PRO 36 2HG PRO 36 18.617 13.515 -1.764 459 1HD PRO 36 1HD PRO 36 19.553 12.433 -4.091 460 2HD PRO 36 2HD PRO 36 17.853 12.357 -3.579 Start of MODEL 5 1 1H5* G 1 1H5* G 1 11.955 -14.783 1.384 2 2H5* G 1 2H5* G 1 13.260 -15.952 1.693 3 H4* G 1 H4* G 1 11.347 -17.720 1.732 4 H3* G 1 H3* G 1 9.823 -15.123 2.136 5 H2* G 1 H2* G 1 8.493 -16.192 3.774 6 2HO* G 1 2HO* G 1 8.666 -18.491 4.097 7 H1* G 1 H1* G 1 10.566 -17.715 4.845 8 H8 G 1 H8 G 1 11.598 -14.126 4.219 9 H1 G 1 H1 G 1 8.036 -14.973 9.498 10 1H2 G 1 1H2 G 1 7.327 -17.063 9.601 11 2H2 G 1 2H2 G 1 7.487 -18.155 8.244 12 1H5* C 2 1H5* C 2 6.112 -16.737 0.616 13 2H5* C 2 2H5* C 2 7.123 -16.160 1.959 14 H4* C 2 H4* C 2 4.932 -18.172 2.446 15 H3* C 2 H3* C 2 4.649 -15.171 2.122 16 H2* C 2 H2* C 2 3.222 -15.084 3.992 17 2HO* C 2 2HO* C 2 2.184 -16.869 4.820 18 H1* C 2 H1* C 2 4.509 -17.046 5.497 19 1H4 C 2 1H4 C 2 6.544 -11.608 8.016 20 2H4 C 2 2H4 C 2 7.645 -11.357 6.683 21 H5 C 2 H5 C 2 7.447 -12.638 4.611 22 H6 C 2 H6 C 2 6.785 -14.831 3.734 23 1H5* C 3 1H5* C 3 0.129 -13.863 1.682 24 2H5* C 3 2H5* C 3 1.270 -12.561 2.058 25 H4* C 3 H4* C 3 -0.031 -14.529 3.941 26 H3* C 3 H3* C 3 0.128 -11.517 3.712 27 H2* C 3 H2* C 3 0.083 -11.304 6.046 28 2HO* C 3 2HO* C 3 -1.629 -12.719 6.483 29 H1* C 3 H1* C 3 1.628 -13.552 6.625 30 1H4 C 3 1H4 C 3 5.606 -8.595 6.965 31 2H4 C 3 2H4 C 3 5.637 -8.456 5.222 32 H5 C 3 H5 C 3 4.722 -10.276 3.845 33 H6 C 3 H6 C 3 3.121 -12.092 3.782 34 1H5* C 4 1H5* C 4 -3.913 -11.418 5.909 35 2H5* C 4 2H5* C 4 -4.543 -9.929 5.171 36 H4* C 4 H4* C 4 -3.957 -10.001 7.743 37 H3* C 4 H3* C 4 -3.159 -7.747 5.845 38 H2* C 4 H2* C 4 -2.141 -6.664 7.665 39 2HO* C 4 2HO* C 4 -2.803 -6.856 9.695 40 H1* C 4 H1* C 4 -1.316 -9.001 9.004 41 1H4 C 4 1H4 C 4 3.525 -5.985 5.991 42 2H4 C 4 2H4 C 4 3.950 -7.616 5.534 43 H5 C 4 H5 C 4 1.631 -8.617 4.698 44 H6 C 4 H6 C 4 -0.440 -9.317 5.600 45 1H5* U 5 1H5* U 5 -4.755 -4.088 5.162 46 2H5* U 5 2H5* U 5 -3.727 -5.436 5.688 47 H4* U 5 H4* U 5 -4.808 -3.961 7.965 48 H3* U 5 H3* U 5 -3.251 -2.467 5.840 49 H2* U 5 H2* U 5 -1.924 -1.466 7.500 50 2HO* U 5 2HO* U 5 -2.643 -1.017 9.440 51 H1* U 5 H1* U 5 -1.821 -3.644 9.214 52 H3 U 5 H3 U 5 2.225 -2.361 7.287 53 H5 U 5 H5 U 5 0.758 -5.658 5.159 54 H6 U 5 H6 U 5 -1.410 -5.141 6.095 55 1H5* G 6 1H5* G 6 -1.898 1.190 8.459 56 2H5* G 6 2H5* G 6 -3.358 2.072 7.954 57 H4* G 6 H4* G 6 -1.705 3.128 6.690 58 H3* G 6 H3* G 6 -2.726 0.781 5.045 59 H2* G 6 H2* G 6 -1.204 1.354 3.352 60 2HO* G 6 2HO* G 6 -0.260 3.705 4.426 61 H1* G 6 H1* G 6 0.831 2.256 5.081 62 H8 G 6 H8 G 6 -1.122 -1.105 5.265 63 H1 G 6 H1 G 6 4.839 -1.398 2.868 64 1H2 G 6 1H2 G 6 5.609 0.673 2.535 65 2H2 G 6 2H2 G 6 4.921 1.996 3.457 66 1H5* A 7 1H5* A 7 -4.552 2.257 0.840 67 2H5* A 7 2H5* A 7 -3.723 0.692 0.957 68 H4* A 7 H4* A 7 -2.830 1.903 -0.937 69 H3* A 7 H3* A 7 -0.960 1.879 1.459 70 H2* A 7 H2* A 7 0.612 3.079 0.157 71 2HO* A 7 2HO* A 7 -0.019 3.316 -2.217 72 H1* A 7 H1* A 7 -1.285 4.507 -1.316 73 H8 A 7 H8 A 7 -2.174 5.026 2.232 74 1H6 A 7 1H6 A 7 1.350 9.419 2.597 75 2H6 A 7 2H6 A 7 2.181 8.155 3.476 76 H2 A 7 H2 A 7 2.895 6.892 -1.239 77 1H5* A 8 1H5* A 8 0.852 0.493 -1.479 78 2H5* A 8 2H5* A 8 2.027 -0.834 -1.592 79 H4* A 8 H4* A 8 3.228 1.169 -2.049 80 H3* A 8 H3* A 8 3.625 0.230 0.807 81 H2* A 8 H2* A 8 5.104 2.046 1.178 82 2HO* A 8 2HO* A 8 5.822 3.347 -0.598 83 H1* A 8 H1* A 8 3.669 3.884 -0.381 84 H8 A 8 H8 A 8 1.281 1.950 1.773 85 1H6 A 8 1H6 A 8 1.891 4.437 6.028 86 2H6 A 8 2H6 A 8 2.290 6.138 6.125 87 H2 A 8 H2 A 8 5.565 6.580 3.013 88 1H5* A 9 2H5* A 9 8.139 -1.783 -1.696 89 2H5* A 9 1H5* A 9 7.212 -0.641 -0.704 90 H4* A 9 H4* A 9 9.495 -0.095 -2.268 91 H3* A 9 H3* A 9 7.447 1.653 -0.885 92 H2* A 9 H2* A 9 8.397 3.557 -1.910 93 2HO* A 9 2HO* A 9 10.519 2.138 -3.048 94 H1* A 9 H1* A 9 8.926 2.330 -4.362 95 H8 A 9 H8 A 9 6.680 4.120 -2.153 96 1H6 A 9 1H6 A 9 2.595 4.431 -6.635 97 2H6 A 9 2H6 A 9 2.470 4.226 -4.902 98 H2 A 9 H2 A 9 5.479 1.027 -7.647 99 1H5* A 10 1H5* A 10 9.854 0.896 4.208 100 2H5* A 10 2H5* A 10 8.198 1.272 3.695 101 H4* A 10 H4* A 10 10.198 3.503 3.860 102 H3* A 10 H3* A 10 8.890 2.089 6.183 103 H2* A 10 H2* A 10 8.348 4.131 7.207 104 2HO* A 10 2HO* A 10 9.449 5.934 6.915 105 H1* A 10 H1* A 10 7.719 5.523 4.879 106 H8 A 10 H8 A 10 6.053 2.503 4.049 107 1H6 A 10 1H6 A 10 1.812 3.456 8.481 108 2H6 A 10 2H6 A 10 2.173 2.584 7.008 109 H2 A 10 H2 A 10 5.265 6.216 9.228 110 1H5* A 11 1H5* A 11 9.596 5.071 9.053 111 2H5* A 11 2H5* A 11 10.364 4.010 10.255 112 H4* A 11 H4* A 11 7.964 4.749 10.749 113 H3* A 11 H3* A 11 8.761 1.828 10.649 114 H2* A 11 H2* A 11 6.541 1.209 11.134 115 2HO* A 11 2HO* A 11 5.570 2.337 12.605 116 H1* A 11 H1* A 11 5.295 3.204 9.663 117 H8 A 11 H8 A 11 8.184 1.615 7.785 118 1H6 A 11 1H6 A 11 4.651 -3.030 6.402 119 2H6 A 11 2H6 A 11 5.225 -1.808 5.294 120 H2 A 11 H2 A 11 2.149 -0.221 9.077 121 1H5* G 12 1H5* G 12 8.389 -1.114 13.844 122 2H5* G 12 2H5* G 12 8.330 -0.271 12.288 123 H4* G 12 H4* G 12 6.118 0.531 13.989 124 H3* G 12 H3* G 12 6.523 -2.423 13.479 125 H2* G 12 H2* G 12 4.255 -2.651 12.864 126 2HO* G 12 2HO* G 12 3.567 -0.035 13.576 127 H1* G 12 H1* G 12 4.018 -0.193 11.567 128 H8 G 12 H8 G 12 7.018 -0.996 9.955 129 H1 G 12 H1 G 12 2.551 -5.340 8.404 130 1H2 G 12 1H2 G 12 0.825 -5.165 9.778 131 2H2 G 12 2H2 G 12 0.993 -4.357 11.320 132 1H5* G 13 1H5* G 13 6.390 -5.124 17.005 133 2H5* G 13 2H5* G 13 6.229 -4.438 15.382 134 H4* G 13 H4* G 13 3.838 -5.584 16.812 135 H3* G 13 H3* G 13 5.998 -7.074 15.303 136 H2* G 13 H2* G 13 4.398 -8.357 14.189 137 2HO* G 13 2HO* G 13 2.082 -8.036 14.889 138 H1* G 13 H1* G 13 2.500 -6.350 13.899 139 H8 G 13 H8 G 13 5.686 -4.742 12.984 140 H1 G 13 H1 G 13 3.745 -9.044 8.616 141 1H2 G 13 1H2 G 13 1.819 -10.000 9.395 142 2H2 G 13 2H2 G 13 1.832 -10.337 11.112 143 1H5* G 14 1H5* G 14 1.320 -9.324 16.675 144 2H5* G 14 2H5* G 14 1.648 -10.180 18.198 145 H4* G 14 H4* G 14 0.960 -11.929 16.812 146 H3* G 14 H3* G 14 3.960 -11.707 16.415 147 H2* G 14 H2* G 14 3.804 -13.556 14.933 148 2HO* G 14 2HO* G 14 1.520 -14.080 16.382 149 H1* G 14 H1* G 14 1.408 -12.742 13.758 150 H8 G 14 H8 G 14 3.957 -9.984 14.387 151 H1 G 14 H1 G 14 4.789 -13.172 8.862 152 1H2 G 14 1H2 G 14 2.980 -14.652 8.686 153 2H2 G 14 2H2 G 14 2.798 -15.542 10.180 154 1H5* C 15 1H5* C 15 2.716 -15.633 16.720 155 2H5* C 15 2H5* C 15 3.750 -16.597 17.796 156 H4* C 15 H4* C 15 3.502 -17.747 15.655 157 H3* C 15 H3* C 15 6.239 -16.501 16.078 158 H2* C 15 H2* C 15 6.913 -17.435 14.021 159 2HO* C 15 2HO* C 15 6.330 -19.436 13.729 160 H1* C 15 H1* C 15 4.397 -17.184 12.775 161 1H4 C 15 1H4 C 15 8.057 -12.748 10.134 162 2H4 C 15 2H4 C 15 8.258 -11.913 11.662 163 H5 C 15 H5 C 15 6.818 -12.486 13.577 164 H6 C 15 H6 C 15 5.476 -14.230 14.568 165 2H ASP 2 2H ASP 2 9.704 -13.090 -1.730 166 1H ASP 2 1H ASP 2 9.734 -14.233 -0.473 167 3H ASP 2 3H ASP 2 11.070 -13.216 -0.731 168 HA ASP 2 HA ASP 2 9.975 -12.264 1.108 169 1HB ASP 2 1HB ASP 2 8.936 -10.875 -1.376 170 2HB ASP 2 2HB ASP 2 9.354 -10.128 0.164 171 H ALA 3 H ALA 3 7.649 -10.731 1.049 172 HA ALA 3 HA ALA 3 5.342 -12.404 0.348 173 1HB ALA 3 1HB ALA 3 6.326 -13.438 2.408 174 2HB ALA 3 2HB ALA 3 6.069 -11.911 3.250 175 3HB ALA 3 3HB ALA 3 4.688 -12.836 2.661 176 H GLN 4 H GLN 4 6.565 -9.647 2.232 177 HA GLN 4 HA GLN 4 4.026 -8.267 2.344 178 1HB GLN 4 1HB GLN 4 6.268 -8.026 3.710 179 2HB GLN 4 2HB GLN 4 6.742 -6.948 2.400 180 1HG GLN 4 1HG GLN 4 4.056 -6.331 3.297 181 2HG GLN 4 2HG GLN 4 5.182 -6.287 4.646 182 1HE2 GLN 4 2HE2 GLN 4 4.879 -5.076 1.265 183 2HE2 GLN 4 1HE2 GLN 4 5.731 -3.637 1.549 184 H THR 5 H THR 5 6.947 -7.706 0.363 185 HA THR 5 HA THR 5 5.863 -5.750 -1.383 186 HB THR 5 HB THR 5 7.811 -8.039 -1.869 187 HG1 THR 5 HG1 THR 5 8.261 -5.294 -1.325 188 1HG2 THR 5 1HG2 THR 5 6.899 -7.116 -3.978 189 2HG2 THR 5 2HG2 THR 5 7.383 -5.499 -3.466 190 3HG2 THR 5 3HG2 THR 5 8.609 -6.728 -3.781 191 H ARG 6 H ARG 6 5.464 -9.220 -1.184 192 HA ARG 6 HA ARG 6 4.081 -9.588 -3.714 193 1HB ARG 6 1HB ARG 6 4.914 -11.100 -1.361 194 2HB ARG 6 2HB ARG 6 3.289 -11.557 -1.890 195 1HG ARG 6 1HG ARG 6 4.752 -11.354 -4.269 196 2HG ARG 6 2HG ARG 6 5.872 -12.121 -3.145 197 1HD ARG 6 1HD ARG 6 3.014 -13.068 -3.537 198 2HD ARG 6 2HD ARG 6 4.407 -13.761 -4.392 199 HE ARG 6 HE ARG 6 4.798 -13.572 -1.502 200 1HH1 ARG 6 1HH1 ARG 6 3.567 -15.476 -4.133 201 2HH1 ARG 6 2HH1 ARG 6 3.709 -16.969 -3.270 202 1HH2 ARG 6 1HH2 ARG 6 4.977 -15.514 -0.395 203 2HH2 ARG 6 2HH2 ARG 6 4.504 -16.992 -1.164 204 H ARG 7 H ARG 7 3.103 -9.308 -0.286 205 HA ARG 7 HA ARG 7 0.313 -9.558 -0.757 206 1HB ARG 7 1HB ARG 7 1.242 -9.720 1.466 207 2HB ARG 7 2HB ARG 7 1.946 -8.107 1.346 208 1HG ARG 7 1HG ARG 7 -0.439 -7.227 1.066 209 2HG ARG 7 2HG ARG 7 -0.987 -8.831 1.542 210 1HD ARG 7 1HD ARG 7 -0.269 -8.568 3.724 211 2HD ARG 7 2HD ARG 7 1.030 -7.455 3.279 212 HE ARG 7 HE ARG 7 -0.532 -5.688 3.424 213 1HH1 ARG 7 1HH1 ARG 7 -2.126 -8.747 3.133 214 2HH1 ARG 7 2HH1 ARG 7 -3.702 -8.081 3.356 215 1HH2 ARG 7 1HH2 ARG 7 -2.573 -4.824 3.711 216 2HH2 ARG 7 2HH2 ARG 7 -3.958 -5.861 3.683 217 H ARG 8 H ARG 8 2.530 -6.849 -1.010 218 HA ARG 8 HA ARG 8 0.753 -4.649 -1.153 219 1HB ARG 8 1HB ARG 8 3.457 -5.183 -1.483 220 2HB ARG 8 2HB ARG 8 2.977 -4.733 -3.113 221 1HG ARG 8 1HG ARG 8 3.762 -2.808 -1.705 222 2HG ARG 8 2HG ARG 8 2.146 -2.608 -2.371 223 1HD ARG 8 1HD ARG 8 2.649 -2.096 0.209 224 2HD ARG 8 2HD ARG 8 1.119 -2.834 -0.289 225 HE ARG 8 HE ARG 8 3.255 -4.771 0.231 226 1HH1 ARG 8 1HH1 ARG 8 0.618 -2.940 1.540 227 2HH1 ARG 8 2HH1 ARG 8 0.366 -4.028 2.855 228 1HH2 ARG 8 1HH2 ARG 8 2.914 -6.170 1.936 229 2HH2 ARG 8 2HH2 ARG 8 1.656 -5.843 3.078 230 H GLU 9 H GLU 9 1.712 -7.000 -3.616 231 HA GLU 9 HA GLU 9 0.304 -5.801 -5.802 232 1HB GLU 9 1HB GLU 9 0.861 -8.723 -5.148 233 2HB GLU 9 2HB GLU 9 0.446 -8.104 -6.747 234 1HG GLU 9 1HG GLU 9 2.688 -6.666 -5.522 235 2HG GLU 9 2HG GLU 9 3.018 -8.383 -5.751 236 H ARG 10 H ARG 10 -0.607 -7.885 -3.140 237 HA ARG 10 HA ARG 10 -3.357 -8.296 -3.998 238 1HB ARG 10 1HB ARG 10 -1.536 -9.128 -1.922 239 2HB ARG 10 2HB ARG 10 -3.023 -8.550 -1.173 240 1HG ARG 10 1HG ARG 10 -4.138 -10.399 -1.815 241 2HG ARG 10 2HG ARG 10 -3.636 -10.177 -3.491 242 1HD ARG 10 1HD ARG 10 -1.316 -11.097 -2.605 243 2HD ARG 10 2HD ARG 10 -2.331 -11.801 -1.330 244 HE ARG 10 HE ARG 10 -3.728 -12.381 -3.639 245 1HH1 ARG 10 1HH1 ARG 10 -0.455 -12.860 -2.582 246 2HH1 ARG 10 2HH1 ARG 10 -0.240 -14.296 -3.524 247 1HH2 ARG 10 1HH2 ARG 10 -3.435 -14.246 -4.858 248 2HH2 ARG 10 2HH2 ARG 10 -1.916 -15.077 -4.805 249 H ARG 11 H ARG 11 -1.541 -5.731 -2.591 250 HA ARG 11 HA ARG 11 -3.956 -4.448 -1.422 251 1HB ARG 11 1HB ARG 11 -1.003 -3.740 -1.493 252 2HB ARG 11 2HB ARG 11 -2.242 -2.795 -0.665 253 1HG ARG 11 1HG ARG 11 -1.525 -5.690 -0.073 254 2HG ARG 11 2HG ARG 11 -1.109 -4.312 0.930 255 1HD ARG 11 1HD ARG 11 -3.154 -4.367 1.922 256 2HD ARG 11 2HD ARG 11 -3.963 -4.321 0.351 257 HE ARG 11 HE ARG 11 -2.750 -6.910 0.860 258 1HH1 ARG 11 1HH1 ARG 11 -5.512 -4.896 1.469 259 2HH1 ARG 11 2HH1 ARG 11 -6.578 -6.233 1.731 260 1HH2 ARG 11 1HH2 ARG 11 -4.145 -8.639 1.203 261 2HH2 ARG 11 2HH2 ARG 11 -5.810 -8.342 1.581 262 H ALA 12 H ALA 12 -2.758 -4.779 -4.461 263 HA ALA 12 HA ALA 12 -2.478 -2.137 -5.505 264 1HB ALA 12 1HB ALA 12 -3.764 -4.643 -6.676 265 2HB ALA 12 2HB ALA 12 -3.248 -3.246 -7.621 266 3HB ALA 12 3HB ALA 12 -2.054 -4.223 -6.766 267 H GLU 13 H GLU 13 -5.255 -3.940 -4.372 268 HA GLU 13 HA GLU 13 -7.267 -2.173 -5.527 269 1HB GLU 13 1HB GLU 13 -7.315 -4.182 -3.242 270 2HB GLU 13 2HB GLU 13 -8.746 -3.470 -3.988 271 1HG GLU 13 1HG GLU 13 -8.569 -4.752 -5.875 272 2HG GLU 13 2HG GLU 13 -6.805 -4.729 -5.848 273 H LYS 14 H LYS 14 -5.419 -2.438 -2.520 274 HA LYS 14 HA LYS 14 -6.879 -0.285 -1.168 275 1HB LYS 14 1HB LYS 14 -4.206 -1.664 -0.689 276 2HB LYS 14 2HB LYS 14 -4.993 -0.582 0.461 277 1HG LYS 14 1HG LYS 14 -6.310 -3.084 -0.618 278 2HG LYS 14 2HG LYS 14 -5.377 -3.053 0.880 279 1HD LYS 14 1HD LYS 14 -6.877 -1.385 1.831 280 2HD LYS 14 2HD LYS 14 -7.766 -1.273 0.312 281 1HE LYS 14 1HE LYS 14 -7.775 -4.014 0.908 282 2HE LYS 14 2HE LYS 14 -8.073 -3.213 2.463 283 1HZ LYS 14 1HZ LYS 14 -9.693 -1.770 1.285 284 2HZ LYS 14 2HZ LYS 14 -9.510 -2.746 -0.093 285 3HZ LYS 14 3HZ LYS 14 -10.153 -3.405 1.331 286 H GLN 15 H GLN 15 -3.938 -0.755 -2.989 287 HA GLN 15 HA GLN 15 -2.841 1.895 -2.764 288 1HB GLN 15 1HB GLN 15 -2.389 -0.682 -4.082 289 2HB GLN 15 2HB GLN 15 -1.945 0.660 -5.123 290 1HG GLN 15 1HG GLN 15 -0.265 1.383 -3.700 291 2HG GLN 15 2HG GLN 15 -1.078 0.747 -2.269 292 1HE2 GLN 15 2HE2 GLN 15 -1.247 -1.763 -2.242 293 2HE2 GLN 15 1HE2 GLN 15 0.112 -2.621 -2.794 294 H ALA 16 H ALA 16 -4.631 0.215 -5.358 295 HA ALA 16 HA ALA 16 -4.798 2.490 -7.108 296 1HB ALA 16 1HB ALA 16 -6.578 0.045 -6.774 297 2HB ALA 16 2HB ALA 16 -6.580 1.107 -8.182 298 3HB ALA 16 3HB ALA 16 -5.149 0.148 -7.802 299 H GLN 17 H GLN 17 -6.673 1.478 -4.301 300 HA GLN 17 HA GLN 17 -8.881 3.338 -4.847 301 1HB GLN 17 1HB GLN 17 -7.976 1.494 -2.644 302 2HB GLN 17 2HB GLN 17 -9.227 2.685 -2.301 303 1HG GLN 17 1HG GLN 17 -9.374 0.769 -4.639 304 2HG GLN 17 2HG GLN 17 -10.082 0.418 -3.062 305 1HE2 GLN 17 2HE2 GLN 17 -11.871 0.564 -5.157 306 2HE2 GLN 17 1HE2 GLN 17 -12.762 2.007 -5.088 307 H TRP 18 H TRP 18 -5.924 3.218 -2.967 308 HA TRP 18 HA TRP 18 -6.296 5.806 -1.662 309 1HB TRP 18 1HB TRP 18 -4.918 4.034 -0.681 310 2HB TRP 18 2HB TRP 18 -3.950 3.938 -2.138 311 HD1 TRP 18 HD1 TRP 18 -4.340 5.989 1.022 312 HE1 TRP 18 HE1 TRP 18 -2.479 7.786 1.072 313 HE3 TRP 18 HE3 TRP 18 -2.443 5.404 -3.623 314 HZ2 TRP 18 HZ2 TRP 18 -0.436 8.807 -0.651 315 HZ3 TRP 18 HZ3 TRP 18 -0.568 6.758 -4.400 316 HH2 TRP 18 HH2 TRP 18 0.454 8.434 -2.946 317 H LYS 19 H LYS 19 -4.331 4.508 -4.293 318 HA LYS 19 HA LYS 19 -3.019 6.892 -5.108 319 1HB LYS 19 1HB LYS 19 -3.849 4.329 -6.492 320 2HB LYS 19 2HB LYS 19 -2.941 5.581 -7.324 321 1HG LYS 19 1HG LYS 19 -1.329 5.427 -5.281 322 2HG LYS 19 2HG LYS 19 -2.071 3.851 -5.035 323 1HD LYS 19 1HD LYS 19 -1.316 4.385 -7.829 324 2HD LYS 19 2HD LYS 19 0.051 4.341 -6.717 325 1HE LYS 19 1HE LYS 19 -0.624 2.128 -5.910 326 2HE LYS 19 2HE LYS 19 -2.069 2.174 -6.940 327 1HZ LYS 19 1HZ LYS 19 0.711 2.468 -7.945 328 2HZ LYS 19 2HZ LYS 19 -0.162 1.015 -7.989 329 3HZ LYS 19 3HZ LYS 19 -0.704 2.357 -8.879 330 H ALA 20 H ALA 20 -6.166 5.499 -5.858 331 HA ALA 20 HA ALA 20 -6.886 7.193 -8.008 332 1HB ALA 20 1HB ALA 20 -8.352 5.710 -5.843 333 2HB ALA 20 2HB ALA 20 -9.242 6.685 -7.011 334 3HB ALA 20 3HB ALA 20 -8.257 5.330 -7.563 335 H ALA 21 H ALA 21 -6.806 7.702 -4.542 336 HA ALA 21 HA ALA 21 -7.789 10.491 -4.970 337 1HB ALA 21 1HB ALA 21 -9.078 8.604 -3.584 338 2HB ALA 21 2HB ALA 21 -7.959 9.114 -2.322 339 3HB ALA 21 3HB ALA 21 -9.068 10.282 -3.038 340 H ASN 22 H ASN 22 -5.056 9.313 -5.012 341 HA ASN 22 HA ASN 22 -3.787 11.333 -3.278 342 1HB ASN 22 1HB ASN 22 -3.303 8.358 -2.967 343 2HB ASN 22 2HB ASN 22 -2.337 9.618 -2.204 344 1HD2 ASN 22 2HD2 ASN 22 -4.794 7.543 -1.551 345 2HD2 ASN 22 1HD2 ASN 22 -5.618 8.416 -0.351 346 HA PRO 23 HA PRO 23 -1.550 10.029 -7.222 347 1HB PRO 23 1HB PRO 23 -2.247 12.152 -8.809 348 2HB PRO 23 2HB PRO 23 -3.175 10.640 -8.774 349 1HG PRO 23 1HG PRO 23 -3.748 13.240 -7.463 350 2HG PRO 23 2HG PRO 23 -4.861 12.066 -8.182 351 1HD PRO 23 1HD PRO 23 -4.417 12.323 -5.487 352 2HD PRO 23 2HD PRO 23 -5.000 10.837 -6.256 353 H LEU 24 H LEU 24 -2.218 12.924 -5.413 354 HA LEU 24 HA LEU 24 -0.007 14.567 -6.096 355 1HB LEU 24 1HB LEU 24 -0.745 15.802 -4.246 356 2HB LEU 24 2HB LEU 24 -2.167 14.807 -4.532 357 HG LEU 24 HG LEU 24 0.027 13.960 -2.614 358 1HD1 LEU 24 1HD1 LEU 24 -1.248 16.248 -2.189 359 2HD1 LEU 24 2HD1 LEU 24 -2.531 15.165 -1.650 360 3HD1 LEU 24 3HD1 LEU 24 -0.949 15.114 -0.871 361 1HD2 LEU 24 1HD2 LEU 24 -2.120 12.556 -3.640 362 2HD2 LEU 24 2HD2 LEU 24 -1.342 12.199 -2.098 363 3HD2 LEU 24 3HD2 LEU 24 -2.791 13.205 -2.149 364 H LEU 25 H LEU 25 -0.327 11.827 -3.932 365 HA LEU 25 HA LEU 25 2.540 11.951 -3.146 366 1HB LEU 25 1HB LEU 25 -0.019 10.766 -2.175 367 2HB LEU 25 2HB LEU 25 1.423 9.781 -1.909 368 HG LEU 25 HG LEU 25 1.743 12.644 -1.241 369 1HD1 LEU 25 1HD1 LEU 25 -0.373 10.935 -0.020 370 2HD1 LEU 25 2HD1 LEU 25 0.611 11.903 1.078 371 3HD1 LEU 25 3HD1 LEU 25 -0.311 12.688 -0.205 372 1HD2 LEU 25 1HD2 LEU 25 3.200 10.423 -0.818 373 2HD2 LEU 25 2HD2 LEU 25 3.246 11.795 0.288 374 3HD2 LEU 25 3HD2 LEU 25 2.237 10.397 0.659 375 H VAL 26 H VAL 26 1.652 11.483 -5.807 376 HA VAL 26 HA VAL 26 2.845 8.836 -6.374 377 HB VAL 26 HB VAL 26 -0.005 9.651 -6.425 378 1HG1 VAL 26 1HG1 VAL 26 1.289 8.395 -8.856 379 2HG1 VAL 26 2HG1 VAL 26 -0.421 8.178 -8.480 380 3HG1 VAL 26 3HG1 VAL 26 0.217 9.795 -8.787 381 1HG2 VAL 26 1HG2 VAL 26 1.422 6.973 -6.599 382 2HG2 VAL 26 2HG2 VAL 26 0.871 7.757 -5.116 383 3HG2 VAL 26 3HG2 VAL 26 -0.304 7.200 -6.309 384 H GLY 27 H GLY 27 3.599 8.773 -8.615 385 1HA GLY 27 1HA GLY 27 4.494 11.228 -9.711 386 2HA GLY 27 2HA GLY 27 4.352 9.728 -10.634 387 H VAL 28 H VAL 28 3.027 12.849 -10.195 388 HA VAL 28 HA VAL 28 0.315 12.630 -10.803 389 HB VAL 28 HB VAL 28 1.542 14.730 -10.384 390 1HG1 VAL 28 1HG1 VAL 28 3.558 14.121 -11.727 391 2HG1 VAL 28 2HG1 VAL 28 2.617 14.372 -13.198 392 3HG1 VAL 28 3HG1 VAL 28 2.943 15.728 -12.118 393 1HG2 VAL 28 1HG2 VAL 28 -0.233 14.342 -12.737 394 2HG2 VAL 28 2HG2 VAL 28 -0.429 15.403 -11.340 395 3HG2 VAL 28 3HG2 VAL 28 0.623 15.884 -12.669 396 H SER 29 H SER 29 -0.876 12.210 -12.679 397 HA SER 29 HA SER 29 -1.318 11.314 -14.808 398 1HB SER 29 1HB SER 29 1.344 12.571 -15.515 399 2HB SER 29 2HB SER 29 -0.036 12.316 -16.581 400 HG SER 29 HG SER 29 0.446 14.287 -14.710 401 H ALA 30 H ALA 30 -0.158 9.528 -13.012 402 HA ALA 30 HA ALA 30 1.558 7.858 -14.822 403 1HB ALA 30 1HB ALA 30 2.775 9.041 -12.924 404 2HB ALA 30 2HB ALA 30 1.805 8.084 -11.803 405 3HB ALA 30 3HB ALA 30 2.923 7.285 -12.909 406 H LYS 31 H LYS 31 -1.111 7.435 -14.902 407 HA LYS 31 HA LYS 31 -1.413 4.780 -13.692 408 1HB LYS 31 1HB LYS 31 -3.566 5.593 -12.522 409 2HB LYS 31 2HB LYS 31 -2.035 6.056 -11.781 410 1HG LYS 31 1HG LYS 31 -2.418 8.261 -12.135 411 2HG LYS 31 2HG LYS 31 -2.905 7.979 -13.808 412 1HD LYS 31 1HD LYS 31 -4.927 8.690 -12.948 413 2HD LYS 31 2HD LYS 31 -5.069 6.962 -12.623 414 1HE LYS 31 1HE LYS 31 -5.462 7.632 -10.469 415 2HE LYS 31 2HE LYS 31 -3.702 7.849 -10.393 416 1HZ LYS 31 1HZ LYS 31 -4.048 10.098 -11.347 417 2HZ LYS 31 2HZ LYS 31 -5.724 9.882 -11.171 418 3HZ LYS 31 3HZ LYS 31 -4.719 9.914 -9.802 419 HA PRO 32 HA PRO 32 -3.644 5.286 -17.653 420 1HB PRO 32 1HB PRO 32 -3.185 2.730 -18.516 421 2HB PRO 32 2HB PRO 32 -2.015 4.047 -18.733 422 1HG PRO 32 1HG PRO 32 -2.057 1.869 -16.706 423 2HG PRO 32 2HG PRO 32 -0.685 2.585 -17.566 424 1HD PRO 32 1HD PRO 32 -1.338 3.199 -14.990 425 2HD PRO 32 2HD PRO 32 -0.491 4.315 -16.083 426 H VAL 33 H VAL 33 -5.466 3.784 -18.551 427 HA VAL 33 HA VAL 33 -6.792 2.199 -16.397 428 HB VAL 33 HB VAL 33 -8.879 3.493 -16.827 429 1HG1 VAL 33 1HG1 VAL 33 -6.998 4.141 -15.126 430 2HG1 VAL 33 2HG1 VAL 33 -6.712 5.490 -16.225 431 3HG1 VAL 33 3HG1 VAL 33 -8.287 5.297 -15.457 432 1HG2 VAL 33 1HG2 VAL 33 -7.025 5.070 -18.636 433 2HG2 VAL 33 2HG2 VAL 33 -8.506 4.232 -19.095 434 3HG2 VAL 33 3HG2 VAL 33 -8.586 5.676 -18.086 435 H ASN 34 H ASN 34 -8.158 0.563 -17.227 436 HA ASN 34 HA ASN 34 -8.212 0.295 -20.218 437 1HB ASN 34 1HB ASN 34 -7.631 -1.616 -17.966 438 2HB ASN 34 2HB ASN 34 -8.247 -2.234 -19.499 439 1HD2 ASN 34 2HD2 ASN 34 -6.826 -2.218 -21.328 440 2HD2 ASN 34 1HD2 ASN 34 -5.201 -1.741 -21.225 441 H ARG 35 H ARG 35 -10.335 1.619 -19.192 442 HA ARG 35 HA ARG 35 -12.528 -0.393 -19.358 443 1HB ARG 35 1HB ARG 35 -11.832 1.445 -17.092 444 2HB ARG 35 2HB ARG 35 -13.532 1.100 -17.404 445 1HG ARG 35 1HG ARG 35 -13.290 -0.838 -16.286 446 2HG ARG 35 2HG ARG 35 -12.210 -1.390 -17.566 447 1HD ARG 35 1HD ARG 35 -10.743 0.399 -15.854 448 2HD ARG 35 2HD ARG 35 -11.529 -0.839 -14.855 449 HE ARG 35 HE ARG 35 -9.407 -1.322 -16.778 450 1HH1 ARG 35 1HH1 ARG 35 -12.283 -2.622 -15.336 451 2HH1 ARG 35 2HH1 ARG 35 -11.817 -4.267 -15.603 452 1HH2 ARG 35 1HH2 ARG 35 -8.809 -3.463 -17.121 453 2HH2 ARG 35 2HH2 ARG 35 -9.859 -4.742 -16.609 454 HA PRO 36 HA PRO 36 -13.163 3.637 -21.664 455 1HB PRO 36 1HB PRO 36 -13.362 2.557 -24.172 456 2HB PRO 36 2HB PRO 36 -11.819 3.074 -23.462 457 1HG PRO 36 1HG PRO 36 -12.962 0.340 -23.719 458 2HG PRO 36 2HG PRO 36 -11.287 0.885 -23.887 459 1HD PRO 36 1HD PRO 36 -12.264 -0.356 -21.656 460 2HD PRO 36 2HD PRO 36 -10.887 0.769 -21.640 Start of MODEL 6 1 1H5* G 1 1H5* G 1 12.572 -15.705 1.976 2 2H5* G 1 2H5* G 1 12.937 -17.138 0.987 3 H4* G 1 H4* G 1 11.123 -18.317 1.783 4 H3* G 1 H3* G 1 9.793 -15.630 2.278 5 H2* G 1 H2* G 1 8.441 -16.643 3.933 6 2HO* G 1 2HO* G 1 8.317 -18.881 4.196 7 H1* G 1 H1* G 1 10.445 -18.297 4.931 8 H8 G 1 H8 G 1 11.741 -14.804 4.306 9 H1 G 1 H1 G 1 8.166 -15.361 9.616 10 1H2 G 1 1H2 G 1 7.347 -17.420 9.754 11 2H2 G 1 2H2 G 1 7.299 -18.457 8.346 12 1H5* C 2 1H5* C 2 6.000 -16.845 1.044 13 2H5* C 2 2H5* C 2 7.136 -16.512 2.371 14 H4* C 2 H4* C 2 4.867 -18.381 2.920 15 H3* C 2 H3* C 2 4.580 -15.392 2.507 16 H2* C 2 H2* C 2 3.217 -15.237 4.416 17 2HO* C 2 2HO* C 2 2.572 -17.336 5.450 18 H1* C 2 H1* C 2 4.553 -17.153 5.943 19 1H4 C 2 1H4 C 2 6.681 -11.649 8.223 20 2H4 C 2 2H4 C 2 7.715 -11.423 6.834 21 H5 C 2 H5 C 2 7.451 -12.774 4.814 22 H6 C 2 H6 C 2 6.776 -15.002 4.036 23 1H5* C 3 1H5* C 3 0.196 -13.938 1.749 24 2H5* C 3 2H5* C 3 1.392 -12.700 2.169 25 H4* C 3 H4* C 3 -0.326 -14.367 4.007 26 H3* C 3 H3* C 3 0.210 -11.424 3.582 27 H2* C 3 H2* C 3 -0.107 -10.997 5.859 28 2HO* C 3 2HO* C 3 -0.812 -13.476 6.732 29 H1* C 3 H1* C 3 1.092 -13.320 6.805 30 1H4 C 3 1H4 C 3 5.535 -8.791 7.323 31 2H4 C 3 2H4 C 3 5.735 -8.732 5.586 32 H5 C 3 H5 C 3 4.746 -10.487 4.185 33 H6 C 3 H6 C 3 3.064 -12.243 4.074 34 1H5* C 4 1H5* C 4 -3.941 -10.199 4.708 35 2H5* C 4 2H5* C 4 -2.172 -10.303 4.806 36 H4* C 4 H4* C 4 -3.923 -10.037 7.254 37 H3* C 4 H3* C 4 -2.810 -7.856 5.453 38 H2* C 4 H2* C 4 -2.204 -6.599 7.337 39 2HO* C 4 2HO* C 4 -4.340 -7.862 8.456 40 H1* C 4 H1* C 4 -1.482 -8.730 8.971 41 1H4 C 4 1H4 C 4 3.631 -5.993 6.077 42 2H4 C 4 2H4 C 4 4.118 -7.660 5.898 43 H5 C 4 H5 C 4 1.798 -8.606 4.833 44 H6 C 4 H6 C 4 -0.316 -9.285 5.635 45 1H5* U 5 1H5* U 5 -5.019 -5.905 8.248 46 2H5* U 5 2H5* U 5 -6.154 -4.746 7.522 47 H4* U 5 H4* U 5 -4.840 -3.539 9.108 48 H3* U 5 H3* U 5 -3.891 -3.035 6.275 49 H2* U 5 H2* U 5 -2.314 -1.514 7.157 50 2HO* U 5 2HO* U 5 -3.496 -1.603 9.722 51 H1* U 5 H1* U 5 -1.901 -2.930 9.558 52 H3 U 5 H3 U 5 2.090 -2.396 7.472 53 H5 U 5 H5 U 5 0.272 -5.579 5.453 54 H6 U 5 H6 U 5 -1.766 -5.014 6.587 55 1H5* G 6 1H5* G 6 -2.093 0.318 7.883 56 2H5* G 6 2H5* G 6 -3.325 1.598 7.802 57 H4* G 6 H4* G 6 -1.870 2.664 6.439 58 H3* G 6 H3* G 6 -2.747 0.411 4.587 59 H2* G 6 H2* G 6 -1.139 1.126 3.038 60 2HO* G 6 2HO* G 6 -1.456 3.581 4.333 61 H1* G 6 H1* G 6 0.758 1.969 4.947 62 H8 G 6 H8 G 6 -1.080 -1.443 4.836 63 H1 G 6 H1 G 6 4.869 -1.356 2.382 64 1H2 G 6 1H2 G 6 5.559 0.780 2.193 65 2H2 G 6 2H2 G 6 4.880 1.962 3.299 66 1H5* A 7 1H5* A 7 -4.485 1.864 0.470 67 2H5* A 7 2H5* A 7 -3.555 0.352 0.468 68 H4* A 7 H4* A 7 -2.674 1.803 -1.249 69 H3* A 7 H3* A 7 -0.900 1.680 1.212 70 H2* A 7 H2* A 7 0.639 3.088 0.080 71 2HO* A 7 2HO* A 7 1.002 2.529 -1.907 72 H1* A 7 H1* A 7 -1.309 4.539 -1.304 73 H8 A 7 H8 A 7 -2.341 4.576 2.245 74 1H6 A 7 1H6 A 7 1.955 8.918 3.299 75 2H6 A 7 2H6 A 7 0.582 8.066 3.968 76 H2 A 7 H2 A 7 2.664 7.221 -0.792 77 1H5* A 8 1H5* A 8 1.188 0.694 -1.785 78 2H5* A 8 2H5* A 8 2.474 -0.533 -1.842 79 H4* A 8 H4* A 8 3.479 1.623 -2.218 80 H3* A 8 H3* A 8 3.933 0.544 0.581 81 H2* A 8 H2* A 8 5.197 2.458 1.127 82 2HO* A 8 2HO* A 8 6.373 3.456 -0.293 83 H1* A 8 H1* A 8 3.631 4.268 -0.325 84 H8 A 8 H8 A 8 1.391 1.917 1.576 85 1H6 A 8 1H6 A 8 2.309 5.435 6.563 86 2H6 A 8 2H6 A 8 1.085 4.499 5.733 87 H2 A 8 H2 A 8 5.130 6.839 3.346 88 1H5* A 9 2H5* A 9 8.514 -1.121 -2.131 89 2H5* A 9 1H5* A 9 7.527 -0.170 -1.003 90 H4* A 9 H4* A 9 9.701 0.748 -2.510 91 H3* A 9 H3* A 9 7.455 2.181 -1.064 92 H2* A 9 H2* A 9 8.282 4.233 -1.909 93 2HO* A 9 2HO* A 9 10.639 2.766 -2.217 94 H1* A 9 H1* A 9 8.949 3.224 -4.428 95 H8 A 9 H8 A 9 6.509 4.626 -2.122 96 1H6 A 9 1H6 A 9 2.638 5.252 -6.551 97 2H6 A 9 2H6 A 9 2.227 4.399 -5.080 98 H2 A 9 H2 A 9 5.648 1.899 -7.867 99 1H5* A 10 1H5* A 10 9.982 1.059 4.071 100 2H5* A 10 2H5* A 10 8.328 1.331 3.477 101 H4* A 10 H4* A 10 10.143 3.700 3.645 102 H3* A 10 H3* A 10 8.987 2.232 6.021 103 H2* A 10 H2* A 10 8.302 4.255 6.998 104 2HO* A 10 2HO* A 10 9.562 5.863 5.091 105 H1* A 10 H1* A 10 7.540 5.533 4.643 106 H8 A 10 H8 A 10 6.114 2.310 4.003 107 1H6 A 10 1H6 A 10 2.508 2.144 8.136 108 2H6 A 10 2H6 A 10 1.591 3.346 7.255 109 H2 A 10 H2 A 10 5.068 6.275 8.945 110 1H5* A 11 1H5* A 11 9.893 4.814 8.710 111 2H5* A 11 2H5* A 11 10.497 3.786 10.031 112 H4* A 11 H4* A 11 8.130 4.795 10.271 113 H3* A 11 H3* A 11 8.726 1.844 10.602 114 H2* A 11 H2* A 11 6.442 1.443 11.042 115 2HO* A 11 2HO* A 11 5.150 3.639 11.063 116 H1* A 11 H1* A 11 5.424 3.287 9.247 117 H8 A 11 H8 A 11 8.236 1.382 7.617 118 1H6 A 11 1H6 A 11 4.376 -3.174 6.537 119 2H6 A 11 2H6 A 11 5.214 -2.103 5.439 120 H2 A 11 H2 A 11 2.146 -0.079 9.069 121 1H5* G 12 1H5* G 12 8.560 -0.826 13.759 122 2H5* G 12 2H5* G 12 8.497 -0.065 12.159 123 H4* G 12 H4* G 12 6.261 0.780 13.808 124 H3* G 12 H3* G 12 6.700 -2.183 13.461 125 H2* G 12 H2* G 12 4.425 -2.457 12.868 126 2HO* G 12 2HO* G 12 4.064 -0.423 14.550 127 H1* G 12 H1* G 12 4.183 -0.073 11.430 128 H8 G 12 H8 G 12 7.232 -1.053 9.941 129 H1 G 12 H1 G 12 2.641 -5.287 8.451 130 1H2 G 12 1H2 G 12 0.809 -4.844 9.671 131 2H2 G 12 2H2 G 12 1.049 -4.187 11.274 132 1H5* G 13 1H5* G 13 5.470 -4.562 17.495 133 2H5* G 13 2H5* G 13 6.340 -5.593 16.362 134 H4* G 13 H4* G 13 3.479 -5.347 16.898 135 H3* G 13 H3* G 13 5.311 -7.276 15.467 136 H2* G 13 H2* G 13 3.520 -8.148 14.270 137 2HO* G 13 2HO* G 13 1.323 -7.638 14.847 138 H1* G 13 H1* G 13 2.123 -5.788 13.885 139 H8 G 13 H8 G 13 5.477 -4.685 13.194 140 H1 G 13 H1 G 13 3.514 -8.956 8.807 141 1H2 G 13 1H2 G 13 1.524 -9.782 9.440 142 2H2 G 13 2H2 G 13 1.186 -9.867 11.153 143 1H5* G 14 1H5* G 14 2.539 -9.219 17.033 144 2H5* G 14 2H5* G 14 2.133 -10.059 18.547 145 H4* G 14 H4* G 14 1.522 -11.820 17.277 146 H3* G 14 H3* G 14 4.486 -11.866 16.632 147 H2* G 14 H2* G 14 4.031 -13.565 15.041 148 2HO* G 14 2HO* G 14 1.686 -14.280 14.965 149 H1* G 14 H1* G 14 1.640 -12.444 14.140 150 H8 G 14 H8 G 14 4.267 -9.777 14.598 151 H1 G 14 H1 G 14 4.927 -13.162 9.162 152 1H2 G 14 1H2 G 14 3.867 -15.244 9.584 153 2H2 G 14 2H2 G 14 2.245 -14.900 10.141 154 1H5* C 15 1H5* C 15 3.057 -15.591 16.963 155 2H5* C 15 2H5* C 15 3.979 -16.711 17.993 156 H4* C 15 H4* C 15 3.583 -17.796 15.865 157 H3* C 15 H3* C 15 6.426 -16.782 16.171 158 H2* C 15 H2* C 15 6.927 -17.730 14.071 159 2HO* C 15 2HO* C 15 5.477 -19.692 14.818 160 H1* C 15 H1* C 15 4.385 -17.259 12.949 161 1H4 C 15 1H4 C 15 8.335 -13.116 10.228 162 2H4 C 15 2H4 C 15 8.563 -12.259 11.740 163 H5 C 15 H5 C 15 7.148 -12.751 13.682 164 H6 C 15 H6 C 15 5.686 -14.389 14.693 165 2H ASP 2 2H ASP 2 9.769 -12.820 -1.049 166 1H ASP 2 1H ASP 2 9.548 -14.280 -0.212 167 3H ASP 2 3H ASP 2 10.922 -13.327 0.087 168 HA ASP 2 HA ASP 2 9.519 -12.881 1.906 169 1HB ASP 2 1HB ASP 2 8.992 -10.766 -0.200 170 2HB ASP 2 2HB ASP 2 9.088 -10.524 1.542 171 H ALA 3 H ALA 3 7.260 -11.233 1.883 172 HA ALA 3 HA ALA 3 5.125 -12.757 0.469 173 1HB ALA 3 1HB ALA 3 5.651 -13.800 2.696 174 2HB ALA 3 2HB ALA 3 5.200 -12.278 3.459 175 3HB ALA 3 3HB ALA 3 3.994 -13.210 2.574 176 H GLN 4 H GLN 4 5.954 -10.023 2.586 177 HA GLN 4 HA GLN 4 3.475 -8.604 2.197 178 1HB GLN 4 1HB GLN 4 5.264 -8.314 4.004 179 2HB GLN 4 2HB GLN 4 6.219 -7.463 2.793 180 1HG GLN 4 1HG GLN 4 4.184 -5.959 2.442 181 2HG GLN 4 2HG GLN 4 3.524 -6.677 3.913 182 1HE2 GLN 4 2HE2 GLN 4 5.318 -4.060 2.852 183 2HE2 GLN 4 1HE2 GLN 4 6.156 -3.710 4.285 184 H THR 5 H THR 5 6.715 -8.139 0.773 185 HA THR 5 HA THR 5 6.100 -6.134 -1.111 186 HB THR 5 HB THR 5 7.859 -8.599 -1.417 187 HG1 THR 5 HG1 THR 5 8.510 -5.981 -0.549 188 1HG2 THR 5 1HG2 THR 5 7.677 -5.983 -2.902 189 2HG2 THR 5 2HG2 THR 5 9.151 -6.953 -2.909 190 3HG2 THR 5 3HG2 THR 5 7.653 -7.620 -3.560 191 H ARG 6 H ARG 6 5.441 -9.581 -1.106 192 HA ARG 6 HA ARG 6 4.354 -9.754 -3.802 193 1HB ARG 6 1HB ARG 6 4.840 -11.408 -1.466 194 2HB ARG 6 2HB ARG 6 3.208 -11.689 -2.084 195 1HG ARG 6 1HG ARG 6 4.213 -13.092 -3.567 196 2HG ARG 6 2HG ARG 6 4.712 -11.622 -4.402 197 1HD ARG 6 1HD ARG 6 6.739 -12.836 -4.091 198 2HD ARG 6 2HD ARG 6 6.748 -11.648 -2.772 199 HE ARG 6 HE ARG 6 6.431 -13.424 -1.251 200 1HH1 ARG 6 1HH1 ARG 6 5.554 -14.374 -4.472 201 2HH1 ARG 6 2HH1 ARG 6 5.268 -16.024 -4.033 202 1HH2 ARG 6 1HH2 ARG 6 6.056 -15.570 -0.692 203 2HH2 ARG 6 2HH2 ARG 6 5.551 -16.698 -1.905 204 H ARG 7 H ARG 7 3.046 -9.524 -0.507 205 HA ARG 7 HA ARG 7 0.304 -9.538 -1.169 206 1HB ARG 7 1HB ARG 7 1.097 -9.770 1.104 207 2HB ARG 7 2HB ARG 7 1.895 -8.201 1.039 208 1HG ARG 7 1HG ARG 7 -0.446 -7.212 0.597 209 2HG ARG 7 2HG ARG 7 -1.070 -8.778 1.110 210 1HD ARG 7 1HD ARG 7 -0.454 -8.447 3.308 211 2HD ARG 7 2HD ARG 7 0.948 -7.454 2.882 212 HE ARG 7 HE ARG 7 -0.477 -5.578 2.958 213 1HH1 ARG 7 1HH1 ARG 7 -2.310 -8.481 2.482 214 2HH1 ARG 7 2HH1 ARG 7 -3.831 -7.666 2.556 215 1HH2 ARG 7 1HH2 ARG 7 -2.426 -4.529 3.065 216 2HH2 ARG 7 2HH2 ARG 7 -3.899 -5.419 2.884 217 H ARG 8 H ARG 8 2.689 -6.940 -1.209 218 HA ARG 8 HA ARG 8 1.003 -4.675 -1.474 219 1HB ARG 8 1HB ARG 8 3.666 -5.163 -1.398 220 2HB ARG 8 2HB ARG 8 3.484 -4.885 -3.128 221 1HG ARG 8 1HG ARG 8 3.895 -2.729 -2.301 222 2HG ARG 8 2HG ARG 8 2.136 -2.775 -2.412 223 1HD ARG 8 1HD ARG 8 2.967 -1.851 -0.219 224 2HD ARG 8 2HD ARG 8 1.960 -3.298 -0.022 225 HE ARG 8 HE ARG 8 3.876 -4.456 0.729 226 1HH1 ARG 8 1HH1 ARG 8 4.766 -1.626 -1.060 227 2HH1 ARG 8 2HH1 ARG 8 6.456 -1.816 -0.750 228 1HH2 ARG 8 1HH2 ARG 8 6.074 -4.697 1.129 229 2HH2 ARG 8 2HH2 ARG 8 7.196 -3.545 0.484 230 H GLU 9 H GLU 9 2.123 -7.014 -3.890 231 HA GLU 9 HA GLU 9 0.990 -5.675 -6.169 232 1HB GLU 9 1HB GLU 9 1.427 -8.628 -5.564 233 2HB GLU 9 2HB GLU 9 1.137 -7.965 -7.173 234 1HG GLU 9 1HG GLU 9 3.254 -6.453 -6.018 235 2HG GLU 9 2HG GLU 9 3.622 -8.156 -5.743 236 H ARG 10 H ARG 10 -0.249 -7.734 -3.646 237 HA ARG 10 HA ARG 10 -2.909 -8.046 -4.803 238 1HB ARG 10 1HB ARG 10 -1.333 -8.975 -2.554 239 2HB ARG 10 2HB ARG 10 -2.916 -8.432 -1.998 240 1HG ARG 10 1HG ARG 10 -4.055 -10.026 -3.251 241 2HG ARG 10 2HG ARG 10 -2.756 -10.168 -4.437 242 1HD ARG 10 1HD ARG 10 -1.335 -11.259 -2.670 243 2HD ARG 10 2HD ARG 10 -2.750 -11.254 -1.600 244 HE ARG 10 HE ARG 10 -3.379 -12.365 -4.206 245 1HH1 ARG 10 1HH1 ARG 10 -1.953 -13.020 -1.111 246 2HH1 ARG 10 2HH1 ARG 10 -2.271 -14.719 -1.191 247 1HH2 ARG 10 1HH2 ARG 10 -3.788 -14.577 -4.301 248 2HH2 ARG 10 2HH2 ARG 10 -3.305 -15.598 -2.989 249 H ARG 11 H ARG 11 -1.160 -5.593 -3.161 250 HA ARG 11 HA ARG 11 -3.609 -4.305 -2.109 251 1HB ARG 11 1HB ARG 11 -0.651 -3.638 -2.009 252 2HB ARG 11 2HB ARG 11 -1.915 -2.669 -1.249 253 1HG ARG 11 1HG ARG 11 -1.210 -5.557 -0.612 254 2HG ARG 11 2HG ARG 11 -0.976 -4.174 0.439 255 1HD ARG 11 1HD ARG 11 -3.098 -4.363 1.212 256 2HD ARG 11 2HD ARG 11 -3.748 -4.306 -0.429 257 HE ARG 11 HE ARG 11 -2.458 -6.850 0.165 258 1HH1 ARG 11 1HH1 ARG 11 -5.384 -4.997 0.433 259 2HH1 ARG 11 2HH1 ARG 11 -6.399 -6.393 0.520 260 1HH2 ARG 11 1HH2 ARG 11 -3.791 -8.657 0.281 261 2HH2 ARG 11 2HH2 ARG 11 -5.505 -8.454 0.436 262 H ALA 12 H ALA 12 -2.174 -4.502 -5.099 263 HA ALA 12 HA ALA 12 -1.917 -1.804 -5.996 264 1HB ALA 12 1HB ALA 12 -1.477 -4.040 -7.203 265 2HB ALA 12 2HB ALA 12 -3.211 -4.091 -7.528 266 3HB ALA 12 3HB ALA 12 -2.229 -2.779 -8.180 267 H GLU 13 H GLU 13 -4.716 -3.738 -5.164 268 HA GLU 13 HA GLU 13 -6.694 -1.954 -6.349 269 1HB GLU 13 1HB GLU 13 -6.816 -4.131 -4.229 270 2HB GLU 13 2HB GLU 13 -8.231 -3.378 -4.964 271 1HG GLU 13 1HG GLU 13 -7.614 -4.203 -7.154 272 2HG GLU 13 2HG GLU 13 -6.070 -4.800 -6.542 273 H LYS 14 H LYS 14 -5.054 -2.344 -3.234 274 HA LYS 14 HA LYS 14 -6.693 -0.321 -1.874 275 1HB LYS 14 1HB LYS 14 -4.026 -1.659 -1.255 276 2HB LYS 14 2HB LYS 14 -4.953 -0.683 -0.112 277 1HG LYS 14 1HG LYS 14 -5.968 -3.208 -1.447 278 2HG LYS 14 2HG LYS 14 -5.339 -3.118 0.198 279 1HD LYS 14 1HD LYS 14 -7.339 -2.433 0.960 280 2HD LYS 14 2HD LYS 14 -7.313 -1.059 -0.145 281 1HE LYS 14 1HE LYS 14 -7.932 -3.056 -1.891 282 2HE LYS 14 2HE LYS 14 -8.712 -3.660 -0.415 283 1HZ LYS 14 1HZ LYS 14 -9.650 -1.414 -0.098 284 2HZ LYS 14 2HZ LYS 14 -9.024 -0.957 -1.610 285 3HZ LYS 14 3HZ LYS 14 -10.213 -2.162 -1.515 286 H GLN 15 H GLN 15 -3.648 -0.604 -3.550 287 HA GLN 15 HA GLN 15 -2.599 2.029 -3.039 288 1HB GLN 15 1HB GLN 15 -2.040 -0.418 -4.539 289 2HB GLN 15 2HB GLN 15 -1.577 1.006 -5.453 290 1HG GLN 15 1HG GLN 15 0.000 1.673 -3.873 291 2HG GLN 15 2HG GLN 15 -0.832 0.841 -2.560 292 1HE2 GLN 15 2HE2 GLN 15 -0.904 -1.674 -2.870 293 2HE2 GLN 15 1HE2 GLN 15 0.519 -2.396 -3.447 294 H ALA 16 H ALA 16 -4.238 0.569 -5.858 295 HA ALA 16 HA ALA 16 -4.385 3.044 -7.353 296 1HB ALA 16 1HB ALA 16 -4.566 0.614 -8.160 297 2HB ALA 16 2HB ALA 16 -6.219 0.633 -7.544 298 3HB ALA 16 3HB ALA 16 -5.748 1.731 -8.841 299 H GLN 17 H GLN 17 -6.359 1.611 -4.819 300 HA GLN 17 HA GLN 17 -8.648 3.391 -5.317 301 1HB GLN 17 1HB GLN 17 -7.777 1.380 -3.243 302 2HB GLN 17 2HB GLN 17 -9.138 2.447 -2.899 303 1HG GLN 17 1HG GLN 17 -9.165 1.110 -5.553 304 2HG GLN 17 2HG GLN 17 -9.425 0.069 -4.153 305 1HE2 GLN 17 2HE2 GLN 17 -11.348 0.444 -2.842 306 2HE2 GLN 17 1HE2 GLN 17 -12.619 1.425 -3.392 307 H TRP 18 H TRP 18 -5.790 3.219 -3.304 308 HA TRP 18 HA TRP 18 -6.380 5.593 -1.711 309 1HB TRP 18 1HB TRP 18 -4.931 3.793 -0.892 310 2HB TRP 18 2HB TRP 18 -3.905 3.939 -2.304 311 HD1 TRP 18 HD1 TRP 18 -4.544 5.558 1.060 312 HE1 TRP 18 HE1 TRP 18 -2.795 7.430 1.409 313 HE3 TRP 18 HE3 TRP 18 -2.456 5.668 -3.530 314 HZ2 TRP 18 HZ2 TRP 18 -0.760 8.773 -0.083 315 HZ3 TRP 18 HZ3 TRP 18 -0.640 7.207 -4.059 316 HH2 TRP 18 HH2 TRP 18 0.226 8.745 -2.368 317 H LYS 19 H LYS 19 -4.235 4.758 -4.390 318 HA LYS 19 HA LYS 19 -3.041 7.299 -4.825 319 1HB LYS 19 1HB LYS 19 -3.642 4.881 -6.541 320 2HB LYS 19 2HB LYS 19 -2.824 6.290 -7.200 321 1HG LYS 19 1HG LYS 19 -1.151 6.081 -5.313 322 2HG LYS 19 2HG LYS 19 -1.874 4.517 -4.951 323 1HD LYS 19 1HD LYS 19 -1.511 4.181 -7.583 324 2HD LYS 19 2HD LYS 19 -0.221 5.348 -7.290 325 1HE LYS 19 1HE LYS 19 0.595 3.874 -5.410 326 2HE LYS 19 2HE LYS 19 -0.593 2.660 -5.927 327 1HZ LYS 19 1HZ LYS 19 0.346 2.850 -8.194 328 2HZ LYS 19 2HZ LYS 19 1.577 3.843 -7.574 329 3HZ LYS 19 3HZ LYS 19 1.455 2.230 -7.066 330 H ALA 20 H ALA 20 -6.069 5.853 -5.893 331 HA ALA 20 HA ALA 20 -6.795 7.809 -7.815 332 1HB ALA 20 1HB ALA 20 -8.053 5.708 -6.186 333 2HB ALA 20 2HB ALA 20 -9.152 6.991 -6.688 334 3HB ALA 20 3HB ALA 20 -8.262 6.069 -7.900 335 H ALA 21 H ALA 21 -6.953 7.776 -4.305 336 HA ALA 21 HA ALA 21 -8.131 10.522 -4.377 337 1HB ALA 21 1HB ALA 21 -9.233 8.305 -3.294 338 2HB ALA 21 2HB ALA 21 -8.270 8.852 -1.922 339 3HB ALA 21 3HB ALA 21 -9.494 9.913 -2.620 340 H ASN 22 H ASN 22 -5.313 9.644 -4.489 341 HA ASN 22 HA ASN 22 -4.294 11.457 -2.398 342 1HB ASN 22 1HB ASN 22 -3.543 8.527 -2.579 343 2HB ASN 22 2HB ASN 22 -2.671 9.716 -1.615 344 1HD2 ASN 22 2HD2 ASN 22 -4.990 7.395 -1.330 345 2HD2 ASN 22 1HD2 ASN 22 -5.866 8.008 -0.011 346 HA PRO 23 HA PRO 23 -1.966 11.125 -6.491 347 1HB PRO 23 1HB PRO 23 -2.788 13.515 -7.559 348 2HB PRO 23 2HB PRO 23 -3.629 11.983 -7.872 349 1HG PRO 23 1HG PRO 23 -4.318 14.167 -5.972 350 2HG PRO 23 2HG PRO 23 -5.379 13.171 -6.982 351 1HD PRO 23 1HD PRO 23 -5.007 12.737 -4.319 352 2HD PRO 23 2HD PRO 23 -5.417 11.445 -5.459 353 H LEU 24 H LEU 24 -2.776 13.593 -4.156 354 HA LEU 24 HA LEU 24 -0.584 15.386 -4.446 355 1HB LEU 24 1HB LEU 24 -1.381 16.211 -2.403 356 2HB LEU 24 2HB LEU 24 -2.775 15.261 -2.904 357 HG LEU 24 HG LEU 24 -0.579 14.114 -1.149 358 1HD1 LEU 24 1HD1 LEU 24 -1.754 16.172 -0.184 359 2HD1 LEU 24 2HD1 LEU 24 -3.223 15.196 -0.174 360 3HD1 LEU 24 3HD1 LEU 24 -1.828 14.699 0.783 361 1HD2 LEU 24 1HD2 LEU 24 -2.720 12.914 -2.487 362 2HD2 LEU 24 2HD2 LEU 24 -1.844 12.220 -1.123 363 3HD2 LEU 24 3HD2 LEU 24 -3.328 13.136 -0.850 364 H LEU 25 H LEU 25 -0.877 12.258 -2.886 365 HA LEU 25 HA LEU 25 1.987 12.289 -2.079 366 1HB LEU 25 1HB LEU 25 -0.521 10.770 -1.397 367 2HB LEU 25 2HB LEU 25 1.038 9.988 -1.117 368 HG LEU 25 HG LEU 25 0.482 12.778 -0.110 369 1HD1 LEU 25 1HD1 LEU 25 -0.091 10.132 1.257 370 2HD1 LEU 25 2HD1 LEU 25 -0.041 11.687 2.089 371 3HD1 LEU 25 3HD1 LEU 25 -1.263 11.387 0.852 372 1HD2 LEU 25 1HD2 LEU 25 2.806 11.458 -0.279 373 2HD2 LEU 25 2HD2 LEU 25 2.439 12.510 1.088 374 3HD2 LEU 25 3HD2 LEU 25 2.231 10.765 1.237 375 H VAL 26 H VAL 26 0.998 12.227 -4.790 376 HA VAL 26 HA VAL 26 2.304 9.760 -5.764 377 HB VAL 26 HB VAL 26 -0.561 10.387 -5.649 378 1HG1 VAL 26 1HG1 VAL 26 0.712 9.867 -8.345 379 2HG1 VAL 26 2HG1 VAL 26 -0.960 9.425 -7.997 380 3HG1 VAL 26 3HG1 VAL 26 -0.459 11.114 -7.905 381 1HG2 VAL 26 1HG2 VAL 26 1.083 7.969 -6.449 382 2HG2 VAL 26 2HG2 VAL 26 0.416 8.311 -4.851 383 3HG2 VAL 26 3HG2 VAL 26 -0.666 7.949 -6.198 384 H GLY 27 H GLY 27 3.830 10.645 -7.104 385 1HA GLY 27 1HA GLY 27 4.694 11.905 -8.920 386 2HA GLY 27 2HA GLY 27 3.042 12.421 -9.283 387 H VAL 28 H VAL 28 2.118 13.846 -7.338 388 HA VAL 28 HA VAL 28 3.611 16.288 -7.230 389 HB VAL 28 HB VAL 28 1.343 15.191 -5.537 390 1HG1 VAL 28 1HG1 VAL 28 2.606 17.165 -4.556 391 2HG1 VAL 28 2HG1 VAL 28 2.121 18.086 -5.980 392 3HG1 VAL 28 3HG1 VAL 28 0.897 17.462 -4.875 393 1HG2 VAL 28 1HG2 VAL 28 1.544 16.516 -8.206 394 2HG2 VAL 28 2HG2 VAL 28 0.411 15.286 -7.646 395 3HG2 VAL 28 3HG2 VAL 28 0.186 16.971 -7.176 396 H SER 29 H SER 29 4.662 17.236 -5.336 397 HA SER 29 HA SER 29 6.186 17.122 -3.527 398 1HB SER 29 1HB SER 29 3.844 15.378 -2.884 399 2HB SER 29 2HB SER 29 5.233 15.315 -1.803 400 HG SER 29 HG SER 29 4.833 17.298 -1.171 401 H ALA 30 H ALA 30 7.171 15.050 -2.028 402 HA ALA 30 HA ALA 30 8.803 13.337 -2.138 403 1HB ALA 30 1HB ALA 30 6.424 12.577 -3.734 404 2HB ALA 30 2HB ALA 30 7.872 11.619 -4.047 405 3HB ALA 30 3HB ALA 30 7.212 11.713 -2.414 406 H LYS 31 H LYS 31 10.294 14.989 -3.128 407 HA LYS 31 HA LYS 31 10.948 14.289 -5.969 408 1HB LYS 31 1HB LYS 31 11.010 16.938 -4.482 409 2HB LYS 31 2HB LYS 31 11.691 16.709 -6.092 410 1HG LYS 31 1HG LYS 31 9.363 15.793 -6.744 411 2HG LYS 31 2HG LYS 31 8.798 16.524 -5.242 412 1HD LYS 31 1HD LYS 31 10.458 18.409 -6.665 413 2HD LYS 31 2HD LYS 31 9.194 17.808 -7.737 414 1HE LYS 31 1HE LYS 31 8.168 18.390 -5.053 415 2HE LYS 31 2HE LYS 31 8.862 19.819 -5.844 416 1HZ LYS 31 1HZ LYS 31 7.608 19.249 -7.851 417 2HZ LYS 31 2HZ LYS 31 6.893 17.938 -7.040 418 3HZ LYS 31 3HZ LYS 31 6.573 19.529 -6.536 419 HA PRO 32 HA PRO 32 14.970 13.439 -4.476 420 1HB PRO 32 1HB PRO 32 16.618 14.477 -6.409 421 2HB PRO 32 2HB PRO 32 15.658 13.002 -6.642 422 1HG PRO 32 1HG PRO 32 15.111 15.780 -7.564 423 2HG PRO 32 2HG PRO 32 14.846 14.241 -8.399 424 1HD PRO 32 1HD PRO 32 12.853 15.642 -7.191 425 2HD PRO 32 2HD PRO 32 12.834 13.874 -7.363 426 H VAL 33 H VAL 33 14.362 15.218 -2.786 427 HA VAL 33 HA VAL 33 16.396 17.418 -2.952 428 HB VAL 33 HB VAL 33 13.577 17.468 -1.820 429 1HG1 VAL 33 1HG1 VAL 33 15.883 19.375 -1.734 430 2HG1 VAL 33 2HG1 VAL 33 14.257 20.039 -1.896 431 3HG1 VAL 33 3HG1 VAL 33 14.664 19.035 -0.504 432 1HG2 VAL 33 1HG2 VAL 33 14.828 18.393 -4.389 433 2HG2 VAL 33 2HG2 VAL 33 13.266 17.617 -4.127 434 3HG2 VAL 33 3HG2 VAL 33 13.488 19.316 -3.707 435 H ASN 34 H ASN 34 17.777 17.411 -1.212 436 HA ASN 34 HA ASN 34 17.786 15.399 0.789 437 1HB ASN 34 1HB ASN 34 19.653 16.920 -0.015 438 2HB ASN 34 2HB ASN 34 18.946 18.193 0.980 439 1HD2 ASN 34 2HD2 ASN 34 21.035 18.096 2.246 440 2HD2 ASN 34 1HD2 ASN 34 21.224 16.887 3.422 441 H ARG 35 H ARG 35 16.215 15.141 2.331 442 HA ARG 35 HA ARG 35 14.248 16.959 3.148 443 1HB ARG 35 1HB ARG 35 15.667 14.675 4.532 444 2HB ARG 35 2HB ARG 35 14.283 15.489 5.260 445 1HG ARG 35 1HG ARG 35 14.272 14.223 2.504 446 2HG ARG 35 2HG ARG 35 13.634 13.456 3.958 447 1HD ARG 35 1HD ARG 35 12.385 15.905 4.050 448 2HD ARG 35 2HD ARG 35 12.448 15.592 2.305 449 HE ARG 35 HE ARG 35 10.972 13.778 2.631 450 1HH1 ARG 35 1HH1 ARG 35 12.457 14.733 5.619 451 2HH1 ARG 35 2HH1 ARG 35 11.501 13.654 6.576 452 1HH2 ARG 35 1HH2 ARG 35 9.735 12.379 3.883 453 2HH2 ARG 35 2HH2 ARG 35 9.967 12.327 5.599 454 HA PRO 36 HA PRO 36 17.074 19.753 5.310 455 1HB PRO 36 1HB PRO 36 15.333 21.859 5.422 456 2HB PRO 36 2HB PRO 36 16.296 21.479 3.980 457 1HG PRO 36 1HG PRO 36 13.431 20.940 4.539 458 2HG PRO 36 2HG PRO 36 14.228 21.365 3.016 459 1HD PRO 36 1HD PRO 36 13.433 18.821 3.710 460 2HD PRO 36 2HD PRO 36 14.695 19.196 2.517 Start of MODEL 7 1 1H5* G 1 1H5* G 1 13.047 -17.450 2.900 2 2H5* G 1 2H5* G 1 12.883 -18.616 1.568 3 H4* G 1 H4* G 1 10.934 -19.393 2.387 4 H3* G 1 H3* G 1 10.161 -16.478 2.774 5 H2* G 1 H2* G 1 8.390 -17.189 4.178 6 2HO* G 1 2HO* G 1 7.382 -18.905 3.442 7 H1* G 1 H1* G 1 9.853 -19.218 5.402 8 H8 G 1 H8 G 1 12.008 -16.162 5.156 9 H1 G 1 H1 G 1 7.429 -15.718 9.643 10 1H2 G 1 1H2 G 1 5.837 -17.253 9.206 11 2H2 G 1 2H2 G 1 6.332 -18.735 8.421 12 1H5* C 2 1H5* C 2 6.403 -16.812 1.045 13 2H5* C 2 2H5* C 2 7.398 -16.744 2.514 14 H4* C 2 H4* C 2 4.741 -18.090 2.725 15 H3* C 2 H3* C 2 5.112 -15.108 2.315 16 H2* C 2 H2* C 2 3.563 -14.664 4.031 17 2HO* C 2 2HO* C 2 2.139 -16.455 3.154 18 H1* C 2 H1* C 2 4.282 -16.781 5.698 19 1H4 C 2 1H4 C 2 7.122 -11.744 8.269 20 2H4 C 2 2H4 C 2 8.390 -11.801 7.069 21 H5 C 2 H5 C 2 8.146 -13.129 5.030 22 H6 C 2 H6 C 2 7.149 -15.190 4.157 23 1H5* C 3 1H5* C 3 0.036 -13.485 1.381 24 2H5* C 3 2H5* C 3 1.570 -12.835 1.987 25 H4* C 3 H4* C 3 -0.476 -14.340 3.647 26 H3* C 3 H3* C 3 0.191 -11.408 3.350 27 H2* C 3 H2* C 3 -0.076 -11.071 5.657 28 2HO* C 3 2HO* C 3 -1.756 -12.023 6.482 29 H1* C 3 H1* C 3 1.016 -13.497 6.470 30 1H4 C 3 1H4 C 3 5.713 -9.270 7.177 31 2H4 C 3 2H4 C 3 5.906 -9.133 5.443 32 H5 C 3 H5 C 3 4.927 -10.930 4.047 33 H6 C 3 H6 C 3 3.121 -12.528 3.858 34 1H5* C 4 1H5* C 4 -3.765 -9.978 4.534 35 2H5* C 4 2H5* C 4 -2.011 -10.220 4.641 36 H4* C 4 H4* C 4 -3.744 -9.863 7.091 37 H3* C 4 H3* C 4 -2.478 -7.759 5.313 38 H2* C 4 H2* C 4 -1.788 -6.544 7.169 39 2HO* C 4 2HO* C 4 -3.159 -6.353 8.739 40 H1* C 4 H1* C 4 -1.189 -8.720 8.794 41 1H4 C 4 1H4 C 4 3.986 -6.215 5.759 42 2H4 C 4 2H4 C 4 4.411 -7.901 5.616 43 H5 C 4 H5 C 4 2.034 -8.763 4.590 44 H6 C 4 H6 C 4 -0.110 -9.327 5.433 45 1H5* U 5 1H5* U 5 -4.887 -4.580 6.484 46 2H5* U 5 2H5* U 5 -3.505 -5.677 6.531 47 H4* U 5 H4* U 5 -3.966 -4.026 8.967 48 H3* U 5 H3* U 5 -2.965 -2.896 6.322 49 H2* U 5 H2* U 5 -1.356 -1.672 7.515 50 2HO* U 5 2HO* U 5 -1.554 -1.649 9.921 51 H1* U 5 H1* U 5 -0.969 -3.609 9.526 52 H3 U 5 H3 U 5 2.881 -2.509 7.274 53 H5 U 5 H5 U 5 1.112 -5.596 5.070 54 H6 U 5 H6 U 5 -0.878 -5.253 6.369 55 1H5* G 6 1H5* G 6 -2.396 -0.300 7.572 56 2H5* G 6 2H5* G 6 -2.875 1.191 8.396 57 H4* G 6 H4* G 6 -1.954 2.519 6.783 58 H3* G 6 H3* G 6 -2.739 0.363 4.788 59 H2* G 6 H2* G 6 -1.124 1.188 3.324 60 2HO* G 6 2HO* G 6 -1.614 3.565 4.648 61 H1* G 6 H1* G 6 0.719 1.965 5.312 62 H8 G 6 H8 G 6 -1.025 -1.471 5.016 63 H1 G 6 H1 G 6 4.886 -1.132 2.504 64 1H2 G 6 1H2 G 6 5.523 1.022 2.390 65 2H2 G 6 2H2 G 6 4.836 2.143 3.551 66 1H5* A 7 1H5* A 7 -4.627 1.555 0.833 67 2H5* A 7 2H5* A 7 -3.599 0.108 0.862 68 H4* A 7 H4* A 7 -2.880 1.564 -0.941 69 H3* A 7 H3* A 7 -1.005 1.595 1.451 70 H2* A 7 H2* A 7 0.403 3.062 0.242 71 2HO* A 7 2HO* A 7 0.632 2.954 -1.845 72 H1* A 7 H1* A 7 -1.673 4.360 -1.112 73 H8 A 7 H8 A 7 -2.561 4.460 2.478 74 1H6 A 7 1H6 A 7 0.939 9.349 3.053 75 2H6 A 7 2H6 A 7 0.763 7.935 4.069 76 H2 A 7 H2 A 7 2.139 7.281 -0.869 77 1H5* A 8 1H5* A 8 0.951 0.766 -1.576 78 2H5* A 8 2H5* A 8 2.309 -0.359 -1.795 79 H4* A 8 H4* A 8 3.153 1.866 -2.116 80 H3* A 8 H3* A 8 3.833 0.699 0.600 81 H2* A 8 H2* A 8 5.036 2.652 1.151 82 2HO* A 8 2HO* A 8 5.964 3.899 -0.293 83 H1* A 8 H1* A 8 3.275 4.430 -0.106 84 H8 A 8 H8 A 8 1.196 1.963 1.744 85 1H6 A 8 1H6 A 8 1.738 3.710 6.368 86 2H6 A 8 2H6 A 8 1.996 5.396 6.753 87 H2 A 8 H2 A 8 5.148 6.632 3.720 88 1H5* A 9 2H5* A 9 8.371 -0.468 -2.413 89 2H5* A 9 1H5* A 9 7.356 0.324 -1.190 90 H4* A 9 H4* A 9 9.409 1.506 -2.679 91 H3* A 9 H3* A 9 7.110 2.651 -1.071 92 H2* A 9 H2* A 9 7.775 4.819 -1.761 93 2HO* A 9 2HO* A 9 9.769 5.303 -2.203 94 H1* A 9 H1* A 9 8.424 4.063 -4.371 95 H8 A 9 H8 A 9 6.005 5.143 -1.908 96 1H6 A 9 1H6 A 9 1.949 5.854 -6.103 97 2H6 A 9 2H6 A 9 1.601 4.806 -4.746 98 H2 A 9 H2 A 9 5.086 2.785 -7.804 99 1H5* A 10 1H5* A 10 9.909 1.109 3.839 100 2H5* A 10 2H5* A 10 8.265 1.535 3.320 101 H4* A 10 H4* A 10 10.218 3.773 3.514 102 H3* A 10 H3* A 10 9.206 2.201 5.885 103 H2* A 10 H2* A 10 8.698 4.175 7.053 104 2HO* A 10 2HO* A 10 9.587 6.119 6.604 105 H1* A 10 H1* A 10 7.797 5.648 4.866 106 H8 A 10 H8 A 10 6.097 2.667 4.025 107 1H6 A 10 1H6 A 10 2.403 3.132 8.975 108 2H6 A 10 2H6 A 10 2.469 2.602 7.310 109 H2 A 10 H2 A 10 5.821 5.999 9.507 110 1H5* A 11 1H5* A 11 10.237 5.040 8.920 111 2H5* A 11 2H5* A 11 11.087 3.842 9.922 112 H4* A 11 H4* A 11 8.698 4.596 10.630 113 H3* A 11 H3* A 11 9.596 1.712 10.416 114 H2* A 11 H2* A 11 7.438 0.986 11.027 115 2HO* A 11 2HO* A 11 6.831 3.652 11.786 116 H1* A 11 H1* A 11 6.019 2.964 9.697 117 H8 A 11 H8 A 11 8.846 1.499 7.604 118 1H6 A 11 1H6 A 11 5.181 -3.117 6.214 119 2H6 A 11 2H6 A 11 5.828 -1.874 5.171 120 H2 A 11 H2 A 11 2.922 -0.422 9.171 121 1H5* G 12 1H5* G 12 9.372 -1.308 13.505 122 2H5* G 12 2H5* G 12 9.209 -0.429 11.972 123 H4* G 12 H4* G 12 7.002 0.171 13.774 124 H3* G 12 H3* G 12 7.553 -2.721 13.059 125 H2* G 12 H2* G 12 5.247 -3.037 12.668 126 2HO* G 12 2HO* G 12 4.296 -0.576 13.300 127 H1* G 12 H1* G 12 4.843 -0.542 11.470 128 H8 G 12 H8 G 12 7.856 -1.464 9.757 129 H1 G 12 H1 G 12 3.099 -5.503 8.228 130 1H2 G 12 1H2 G 12 1.311 -5.036 9.518 131 2H2 G 12 2H2 G 12 1.638 -4.487 11.147 132 1H5* G 13 1H5* G 13 5.344 -4.252 16.784 133 2H5* G 13 2H5* G 13 5.747 -4.116 15.067 134 H4* G 13 H4* G 13 2.928 -4.503 16.099 135 H3* G 13 H3* G 13 5.012 -6.532 15.295 136 H2* G 13 H2* G 13 3.376 -7.770 14.146 137 2HO* G 13 2HO* G 13 1.089 -6.589 14.558 138 H1* G 13 H1* G 13 1.933 -5.607 13.176 139 H8 G 13 H8 G 13 5.494 -4.733 12.718 140 H1 G 13 H1 G 13 3.484 -9.125 8.486 141 1H2 G 13 1H2 G 13 1.430 -9.783 9.011 142 2H2 G 13 2H2 G 13 0.854 -9.603 10.653 143 1H5* G 14 1H5* G 14 1.839 -8.377 16.871 144 2H5* G 14 2H5* G 14 2.049 -9.638 18.108 145 H4* G 14 H4* G 14 0.683 -10.579 16.365 146 H3* G 14 H3* G 14 3.563 -11.506 16.133 147 H2* G 14 H2* G 14 2.882 -12.887 14.328 148 2HO* G 14 2HO* G 14 0.233 -12.370 14.248 149 H1* G 14 H1* G 14 1.115 -11.027 13.232 150 H8 G 14 H8 G 14 4.177 -9.119 14.141 151 H1 G 14 H1 G 14 4.959 -12.810 8.920 152 1H2 G 14 1H2 G 14 3.409 -14.512 9.058 153 2H2 G 14 2H2 G 14 1.828 -13.936 9.533 154 1H5* C 15 1H5* C 15 1.151 -14.610 15.893 155 2H5* C 15 2H5* C 15 1.463 -15.993 16.968 156 H4* C 15 H4* C 15 1.215 -16.861 14.734 157 H3* C 15 H3* C 15 4.116 -16.714 15.611 158 H2* C 15 H2* C 15 4.728 -17.702 13.559 159 2HO* C 15 2HO* C 15 2.198 -18.805 13.747 160 H1* C 15 H1* C 15 2.673 -16.493 12.053 161 1H4 C 15 1H4 C 15 8.078 -13.610 10.423 162 2H4 C 15 2H4 C 15 8.208 -12.853 11.998 163 H5 C 15 H5 C 15 6.339 -12.948 13.588 164 H6 C 15 H6 C 15 4.305 -14.109 14.174 165 2H ASP 2 2H ASP 2 10.343 -10.644 -2.036 166 1H ASP 2 1H ASP 2 9.992 -12.308 -1.989 167 3H ASP 2 3H ASP 2 11.524 -11.752 -1.517 168 HA ASP 2 HA ASP 2 10.589 -12.030 0.548 169 1HB ASP 2 1HB ASP 2 9.499 -9.317 -0.234 170 2HB ASP 2 2HB ASP 2 10.135 -9.812 1.332 171 H ALA 3 H ALA 3 8.371 -10.855 1.728 172 HA ALA 3 HA ALA 3 6.108 -12.309 0.403 173 1HB ALA 3 1HB ALA 3 6.813 -11.760 3.298 174 2HB ALA 3 2HB ALA 3 5.278 -12.469 2.796 175 3HB ALA 3 3HB ALA 3 6.788 -13.326 2.487 176 H GLN 4 H GLN 4 6.891 -9.458 2.398 177 HA GLN 4 HA GLN 4 4.283 -8.255 2.140 178 1HB GLN 4 1HB GLN 4 6.138 -7.775 3.838 179 2HB GLN 4 2HB GLN 4 6.949 -6.873 2.559 180 1HG GLN 4 1HG GLN 4 4.729 -5.591 2.299 181 2HG GLN 4 2HG GLN 4 4.291 -6.281 3.862 182 1HE2 GLN 4 2HE2 GLN 4 5.542 -3.512 2.590 183 2HE2 GLN 4 1HE2 GLN 4 6.545 -3.025 3.870 184 H THR 5 H THR 5 7.384 -7.557 0.520 185 HA THR 5 HA THR 5 6.491 -5.648 -1.360 186 HB THR 5 HB THR 5 8.452 -7.953 -1.688 187 HG1 THR 5 HG1 THR 5 9.792 -6.739 -0.610 188 1HG2 THR 5 1HG2 THR 5 7.859 -5.496 -3.306 189 2HG2 THR 5 2HG2 THR 5 9.491 -6.167 -3.286 190 3HG2 THR 5 3HG2 THR 5 8.141 -7.148 -3.858 191 H ARG 6 H ARG 6 6.130 -9.141 -1.251 192 HA ARG 6 HA ARG 6 4.929 -9.463 -3.886 193 1HB ARG 6 1HB ARG 6 5.676 -11.021 -1.552 194 2HB ARG 6 2HB ARG 6 4.045 -11.454 -2.079 195 1HG ARG 6 1HG ARG 6 5.373 -11.331 -4.478 196 2HG ARG 6 2HG ARG 6 6.648 -11.925 -3.411 197 1HD ARG 6 1HD ARG 6 3.922 -13.178 -3.222 198 2HD ARG 6 2HD ARG 6 5.000 -13.649 -4.551 199 HE ARG 6 HE ARG 6 6.360 -13.587 -1.974 200 1HH1 ARG 6 1HH1 ARG 6 4.377 -15.456 -4.127 201 2HH1 ARG 6 2HH1 ARG 6 4.909 -16.972 -3.486 202 1HH2 ARG 6 1HH2 ARG 6 7.042 -15.565 -1.150 203 2HH2 ARG 6 2HH2 ARG 6 6.409 -17.035 -1.810 204 H ARG 7 H ARG 7 3.779 -9.271 -0.532 205 HA ARG 7 HA ARG 7 1.014 -9.525 -1.046 206 1HB ARG 7 1HB ARG 7 1.888 -9.663 1.182 207 2HB ARG 7 2HB ARG 7 2.652 -8.080 1.050 208 1HG ARG 7 1HG ARG 7 0.261 -7.148 0.735 209 2HG ARG 7 2HG ARG 7 -0.287 -8.713 1.335 210 1HD ARG 7 1HD ARG 7 0.663 -8.373 3.452 211 2HD ARG 7 2HD ARG 7 1.788 -7.140 2.860 212 HE ARG 7 HE ARG 7 0.053 -5.547 3.069 213 1HH1 ARG 7 1HH1 ARG 7 -1.196 -8.787 3.065 214 2HH1 ARG 7 2HH1 ARG 7 -2.814 -8.289 3.418 215 1HH2 ARG 7 1HH2 ARG 7 -2.057 -4.913 3.528 216 2HH2 ARG 7 2HH2 ARG 7 -3.300 -6.109 3.679 217 H ARG 8 H ARG 8 3.186 -6.763 -1.265 218 HA ARG 8 HA ARG 8 1.343 -4.622 -1.459 219 1HB ARG 8 1HB ARG 8 4.043 -4.974 -1.606 220 2HB ARG 8 2HB ARG 8 3.686 -4.686 -3.307 221 1HG ARG 8 1HG ARG 8 4.100 -2.532 -2.400 222 2HG ARG 8 2HG ARG 8 2.345 -2.645 -2.510 223 1HD ARG 8 1HD ARG 8 3.113 -1.738 -0.298 224 2HD ARG 8 2HD ARG 8 2.211 -3.257 -0.127 225 HE ARG 8 HE ARG 8 4.210 -4.296 0.581 226 1HH1 ARG 8 1HH1 ARG 8 4.884 -1.364 -1.135 227 2HH1 ARG 8 2HH1 ARG 8 6.586 -1.438 -0.835 228 1HH2 ARG 8 1HH2 ARG 8 6.420 -4.387 0.968 229 2HH2 ARG 8 2HH2 ARG 8 7.453 -3.142 0.350 230 H GLU 9 H GLU 9 2.385 -6.995 -3.868 231 HA GLU 9 HA GLU 9 0.999 -5.796 -6.095 232 1HB GLU 9 1HB GLU 9 1.717 -8.678 -5.427 233 2HB GLU 9 2HB GLU 9 1.203 -8.128 -7.022 234 1HG GLU 9 1HG GLU 9 3.355 -6.462 -6.011 235 2HG GLU 9 2HG GLU 9 3.831 -8.161 -6.018 236 H ARG 10 H ARG 10 0.134 -7.905 -3.456 237 HA ARG 10 HA ARG 10 -2.584 -8.431 -4.358 238 1HB ARG 10 1HB ARG 10 -0.756 -9.109 -2.185 239 2HB ARG 10 2HB ARG 10 -2.366 -8.747 -1.569 240 1HG ARG 10 1HG ARG 10 -3.364 -10.479 -2.809 241 2HG ARG 10 2HG ARG 10 -2.008 -10.576 -3.934 242 1HD ARG 10 1HD ARG 10 -0.728 -11.858 -2.494 243 2HD ARG 10 2HD ARG 10 -1.443 -11.125 -1.045 244 HE ARG 10 HE ARG 10 -3.530 -12.487 -2.374 245 1HH1 ARG 10 1HH1 ARG 10 -0.500 -13.192 -0.836 246 2HH1 ARG 10 2HH1 ARG 10 -0.983 -14.778 -0.340 247 1HH2 ARG 10 1HH2 ARG 10 -4.150 -14.552 -1.725 248 2HH2 ARG 10 2HH2 ARG 10 -3.041 -15.546 -0.840 249 H ARG 11 H ARG 11 -0.895 -5.808 -2.884 250 HA ARG 11 HA ARG 11 -3.360 -4.683 -1.678 251 1HB ARG 11 1HB ARG 11 -0.470 -3.772 -1.816 252 2HB ARG 11 2HB ARG 11 -1.750 -2.913 -0.960 253 1HG ARG 11 1HG ARG 11 -0.806 -5.742 -0.389 254 2HG ARG 11 2HG ARG 11 -0.489 -4.332 0.610 255 1HD ARG 11 1HD ARG 11 -2.505 -4.552 1.640 256 2HD ARG 11 2HD ARG 11 -3.346 -4.609 0.085 257 HE ARG 11 HE ARG 11 -1.926 -7.068 0.476 258 1HH1 ARG 11 1HH1 ARG 11 -4.687 -5.293 1.610 259 2HH1 ARG 11 2HH1 ARG 11 -5.569 -6.717 2.045 260 1HH2 ARG 11 1HH2 ARG 11 -3.083 -8.909 1.047 261 2HH2 ARG 11 2HH2 ARG 11 -4.667 -8.753 1.728 262 H ALA 12 H ALA 12 -2.117 -4.837 -4.758 263 HA ALA 12 HA ALA 12 -2.119 -2.144 -5.712 264 1HB ALA 12 1HB ALA 12 -1.545 -4.298 -6.944 265 2HB ALA 12 2HB ALA 12 -3.276 -4.610 -7.078 266 3HB ALA 12 3HB ALA 12 -2.570 -3.198 -7.866 267 H GLU 13 H GLU 13 -4.704 -4.261 -4.669 268 HA GLU 13 HA GLU 13 -6.878 -2.651 -5.761 269 1HB GLU 13 1HB GLU 13 -6.563 -4.926 -3.795 270 2HB GLU 13 2HB GLU 13 -8.127 -4.139 -4.010 271 1HG GLU 13 1HG GLU 13 -7.538 -4.527 -6.590 272 2HG GLU 13 2HG GLU 13 -6.587 -5.849 -5.912 273 H LYS 14 H LYS 14 -5.020 -2.858 -2.753 274 HA LYS 14 HA LYS 14 -6.724 -0.945 -1.316 275 1HB LYS 14 1HB LYS 14 -3.906 -2.022 -0.856 276 2HB LYS 14 2HB LYS 14 -4.865 -1.144 0.339 277 1HG LYS 14 1HG LYS 14 -5.731 -3.745 -0.948 278 2HG LYS 14 2HG LYS 14 -4.942 -3.634 0.627 279 1HD LYS 14 1HD LYS 14 -6.804 -2.015 1.291 280 2HD LYS 14 2HD LYS 14 -7.637 -2.521 -0.180 281 1HE LYS 14 1HE LYS 14 -6.879 -4.938 0.981 282 2HE LYS 14 2HE LYS 14 -7.372 -3.942 2.365 283 1HZ LYS 14 1HZ LYS 14 -8.934 -4.134 -0.150 284 2HZ LYS 14 2HZ LYS 14 -9.241 -5.105 1.205 285 3HZ LYS 14 3HZ LYS 14 -9.416 -3.418 1.314 286 H GLN 15 H GLN 15 -3.751 -1.015 -3.147 287 HA GLN 15 HA GLN 15 -2.924 1.715 -2.759 288 1HB GLN 15 1HB GLN 15 -2.208 -0.725 -4.203 289 2HB GLN 15 2HB GLN 15 -1.914 0.700 -5.185 290 1HG GLN 15 1HG GLN 15 -0.330 1.554 -3.708 291 2HG GLN 15 2HG GLN 15 -1.041 0.723 -2.325 292 1HE2 GLN 15 2HE2 GLN 15 -0.933 -1.810 -2.550 293 2HE2 GLN 15 1HE2 GLN 15 0.529 -2.440 -3.141 294 H ALA 16 H ALA 16 -4.541 0.019 -5.458 295 HA ALA 16 HA ALA 16 -4.960 2.396 -7.040 296 1HB ALA 16 1HB ALA 16 -5.025 -0.017 -7.795 297 2HB ALA 16 2HB ALA 16 -6.569 -0.185 -6.959 298 3HB ALA 16 3HB ALA 16 -6.422 0.919 -8.325 299 H GLN 17 H GLN 17 -6.668 0.977 -4.318 300 HA GLN 17 HA GLN 17 -9.102 2.575 -4.733 301 1HB GLN 17 1HB GLN 17 -7.944 0.735 -2.638 302 2HB GLN 17 2HB GLN 17 -9.353 1.717 -2.247 303 1HG GLN 17 1HG GLN 17 -10.626 0.733 -4.039 304 2HG GLN 17 2HG GLN 17 -9.205 -0.102 -4.662 305 1HE2 GLN 17 2HE2 GLN 17 -10.811 -2.035 -4.285 306 2HE2 GLN 17 1HE2 GLN 17 -10.760 -2.766 -2.754 307 H TRP 18 H TRP 18 -6.150 2.666 -2.847 308 HA TRP 18 HA TRP 18 -6.808 5.092 -1.363 309 1HB TRP 18 1HB TRP 18 -5.241 3.411 -0.512 310 2HB TRP 18 2HB TRP 18 -4.271 3.540 -1.963 311 HD1 TRP 18 HD1 TRP 18 -4.884 5.293 1.340 312 HE1 TRP 18 HE1 TRP 18 -3.228 7.268 1.529 313 HE3 TRP 18 HE3 TRP 18 -2.971 5.275 -3.321 314 HZ2 TRP 18 HZ2 TRP 18 -1.320 8.634 -0.105 315 HZ3 TRP 18 HZ3 TRP 18 -1.264 6.871 -4.001 316 HH2 TRP 18 HH2 TRP 18 -0.419 8.543 -2.425 317 H LYS 19 H LYS 19 -4.748 4.219 -4.088 318 HA LYS 19 HA LYS 19 -3.660 6.771 -4.689 319 1HB LYS 19 1HB LYS 19 -4.282 4.286 -6.309 320 2HB LYS 19 2HB LYS 19 -3.462 5.676 -7.004 321 1HG LYS 19 1HG LYS 19 -1.673 5.496 -5.336 322 2HG LYS 19 2HG LYS 19 -2.492 4.125 -4.592 323 1HD LYS 19 1HD LYS 19 -2.242 2.810 -6.621 324 2HD LYS 19 2HD LYS 19 -1.550 4.192 -7.471 325 1HE LYS 19 1HE LYS 19 0.122 4.093 -5.334 326 2HE LYS 19 2HE LYS 19 -0.283 2.372 -5.496 327 1HZ LYS 19 1HZ LYS 19 0.194 2.528 -7.868 328 2HZ LYS 19 2HZ LYS 19 0.631 4.157 -7.690 329 3HZ LYS 19 3HZ LYS 19 1.560 2.943 -6.948 330 H ALA 20 H ALA 20 -6.677 5.175 -5.577 331 HA ALA 20 HA ALA 20 -7.541 7.034 -7.538 332 1HB ALA 20 1HB ALA 20 -8.659 4.946 -5.798 333 2HB ALA 20 2HB ALA 20 -9.825 6.174 -6.290 334 3HB ALA 20 3HB ALA 20 -8.952 5.249 -7.511 335 H ALA 21 H ALA 21 -7.559 7.136 -4.027 336 HA ALA 21 HA ALA 21 -8.864 9.821 -4.150 337 1HB ALA 21 1HB ALA 21 -9.194 7.423 -2.465 338 2HB ALA 21 2HB ALA 21 -9.155 8.940 -1.567 339 3HB ALA 21 3HB ALA 21 -10.359 8.696 -2.833 340 H ASN 22 H ASN 22 -6.001 9.054 -4.340 341 HA ASN 22 HA ASN 22 -4.988 11.027 -2.399 342 1HB ASN 22 1HB ASN 22 -4.111 8.125 -2.413 343 2HB ASN 22 2HB ASN 22 -3.288 9.413 -1.536 344 1HD2 ASN 22 2HD2 ASN 22 -5.533 7.010 -1.128 345 2HD2 ASN 22 1HD2 ASN 22 -6.393 7.641 0.193 346 HA PRO 23 HA PRO 23 -2.755 10.504 -6.523 347 1HB PRO 23 1HB PRO 23 -3.674 12.797 -7.716 348 2HB PRO 23 2HB PRO 23 -4.478 11.225 -7.908 349 1HG PRO 23 1HG PRO 23 -5.180 13.506 -6.130 350 2HG PRO 23 2HG PRO 23 -6.238 12.418 -7.045 351 1HD PRO 23 1HD PRO 23 -5.780 12.164 -4.372 352 2HD PRO 23 2HD PRO 23 -6.184 10.791 -5.417 353 H LEU 24 H LEU 24 -3.578 13.114 -4.346 354 HA LEU 24 HA LEU 24 -1.433 14.929 -4.819 355 1HB LEU 24 1HB LEU 24 -2.200 15.883 -2.820 356 2HB LEU 24 2HB LEU 24 -3.585 14.874 -3.221 357 HG LEU 24 HG LEU 24 -1.329 13.910 -1.433 358 1HD1 LEU 24 1HD1 LEU 24 -3.908 15.322 -0.721 359 2HD1 LEU 24 2HD1 LEU 24 -2.953 14.397 0.437 360 3HD1 LEU 24 3HD1 LEU 24 -2.265 15.828 -0.330 361 1HD2 LEU 24 1HD2 LEU 24 -3.449 12.552 -2.653 362 2HD2 LEU 24 2HD2 LEU 24 -2.527 11.981 -1.266 363 3HD2 LEU 24 3HD2 LEU 24 -4.036 12.862 -1.022 364 H LEU 25 H LEU 25 -1.597 11.879 -3.101 365 HA LEU 25 HA LEU 25 1.280 12.065 -2.353 366 1HB LEU 25 1HB LEU 25 -1.166 10.576 -1.452 367 2HB LEU 25 2HB LEU 25 0.400 9.792 -1.217 368 HG LEU 25 HG LEU 25 0.129 12.653 -0.389 369 1HD1 LEU 25 1HD1 LEU 25 -1.886 11.252 0.456 370 2HD1 LEU 25 2HD1 LEU 25 -0.702 10.425 1.468 371 3HD1 LEU 25 3HD1 LEU 25 -0.957 12.161 1.648 372 1HD2 LEU 25 1HD2 LEU 25 1.974 10.462 -0.075 373 2HD2 LEU 25 2HD2 LEU 25 2.171 12.142 0.421 374 3HD2 LEU 25 3HD2 LEU 25 1.423 10.981 1.517 375 H VAL 26 H VAL 26 0.170 11.745 -5.019 376 HA VAL 26 HA VAL 26 1.556 9.261 -5.845 377 HB VAL 26 HB VAL 26 -1.321 9.764 -5.658 378 1HG1 VAL 26 1HG1 VAL 26 -0.174 9.149 -8.396 379 2HG1 VAL 26 2HG1 VAL 26 -1.834 8.761 -7.938 380 3HG1 VAL 26 3HG1 VAL 26 -1.292 10.441 -7.952 381 1HG2 VAL 26 1HG2 VAL 26 0.046 7.740 -4.950 382 2HG2 VAL 26 2HG2 VAL 26 -1.422 7.378 -5.859 383 3HG2 VAL 26 3HG2 VAL 26 0.151 7.312 -6.660 384 H GLY 27 H GLY 27 2.897 9.912 -7.521 385 1HA GLY 27 1HA GLY 27 3.574 11.053 -9.489 386 2HA GLY 27 2HA GLY 27 1.921 11.661 -9.646 387 H VAL 28 H VAL 28 1.379 13.152 -7.580 388 HA VAL 28 HA VAL 28 2.722 15.608 -7.768 389 HB VAL 28 HB VAL 28 1.076 14.187 -5.689 390 1HG1 VAL 28 1HG1 VAL 28 2.203 16.994 -5.424 391 2HG1 VAL 28 2HG1 VAL 28 0.983 16.281 -4.368 392 3HG1 VAL 28 3HG1 VAL 28 2.619 15.618 -4.400 393 1HG2 VAL 28 1HG2 VAL 28 0.727 16.364 -7.717 394 2HG2 VAL 28 2HG2 VAL 28 -0.305 14.975 -7.381 395 3HG2 VAL 28 3HG2 VAL 28 -0.311 16.363 -6.293 396 H SER 29 H SER 29 4.084 16.603 -5.899 397 HA SER 29 HA SER 29 6.335 14.802 -5.353 398 1HB SER 29 1HB SER 29 5.694 17.720 -5.069 399 2HB SER 29 2HB SER 29 7.074 17.065 -4.193 400 HG SER 29 HG SER 29 6.742 17.553 -6.865 401 H ALA 30 H ALA 30 3.985 13.962 -4.060 402 HA ALA 30 HA ALA 30 2.944 13.736 -1.898 403 1HB ALA 30 1HB ALA 30 5.870 12.978 -1.623 404 2HB ALA 30 2HB ALA 30 4.570 12.393 -0.583 405 3HB ALA 30 3HB ALA 30 4.595 11.957 -2.294 406 H LYS 31 H LYS 31 3.377 16.430 -2.082 407 HA LYS 31 HA LYS 31 4.636 17.138 0.546 408 1HB LYS 31 1HB LYS 31 5.026 19.374 -0.643 409 2HB LYS 31 2HB LYS 31 5.974 18.012 -1.233 410 1HG LYS 31 1HG LYS 31 4.878 17.946 -3.247 411 2HG LYS 31 2HG LYS 31 3.332 18.410 -2.538 412 1HD LYS 31 1HD LYS 31 5.530 20.439 -2.558 413 2HD LYS 31 2HD LYS 31 4.696 20.101 -4.075 414 1HE LYS 31 1HE LYS 31 3.123 20.643 -1.554 415 2HE LYS 31 2HE LYS 31 3.707 21.975 -2.573 416 1HZ LYS 31 1HZ LYS 31 2.734 20.779 -4.500 417 2HZ LYS 31 2HZ LYS 31 2.023 19.680 -3.423 418 3HZ LYS 31 3HZ LYS 31 1.573 21.318 -3.384 419 HA PRO 32 HA PRO 32 0.432 18.477 1.310 420 1HB PRO 32 1HB PRO 32 0.822 19.218 3.911 421 2HB PRO 32 2HB PRO 32 0.635 17.525 3.411 422 1HG PRO 32 1HG PRO 32 3.096 19.031 4.111 423 2HG PRO 32 2HG PRO 32 2.680 17.338 4.415 424 1HD PRO 32 1HD PRO 32 4.358 18.198 2.410 425 2HD PRO 32 2HD PRO 32 3.477 16.656 2.395 426 H VAL 33 H VAL 33 -0.230 20.634 2.838 427 HA VAL 33 HA VAL 33 0.624 22.893 1.236 428 HB VAL 33 HB VAL 33 -0.855 24.121 2.815 429 1HG1 VAL 33 1HG1 VAL 33 -1.596 22.306 0.965 430 2HG1 VAL 33 2HG1 VAL 33 -2.321 21.569 2.393 431 3HG1 VAL 33 3HG1 VAL 33 -2.763 23.211 1.927 432 1HG2 VAL 33 1HG2 VAL 33 -0.039 22.615 4.784 433 2HG2 VAL 33 2HG2 VAL 33 -1.722 23.140 4.774 434 3HG2 VAL 33 3HG2 VAL 33 -1.305 21.507 4.252 435 H ASN 34 H ASN 34 1.305 24.980 2.555 436 HA ASN 34 HA ASN 34 3.333 24.292 4.642 437 1HB ASN 34 1HB ASN 34 4.944 25.738 3.399 438 2HB ASN 34 2HB ASN 34 4.439 24.341 2.450 439 1HD2 ASN 34 2HD2 ASN 34 2.627 24.762 0.829 440 2HD2 ASN 34 1HD2 ASN 34 2.522 26.302 0.125 441 H ARG 35 H ARG 35 1.190 25.327 5.668 442 HA ARG 35 HA ARG 35 1.702 28.272 5.912 443 1HB ARG 35 1HB ARG 35 -0.883 26.730 5.570 444 2HB ARG 35 2HB ARG 35 -0.846 28.399 6.137 445 1HG ARG 35 1HG ARG 35 -0.129 29.225 4.097 446 2HG ARG 35 2HG ARG 35 0.676 27.720 3.654 447 1HD ARG 35 1HD ARG 35 -1.217 26.844 2.715 448 2HD ARG 35 2HD ARG 35 -2.266 27.517 3.979 449 HE ARG 35 HE ARG 35 -1.592 28.826 1.474 450 1HH1 ARG 35 1HH1 ARG 35 -2.301 29.312 4.838 451 2HH1 ARG 35 2HH1 ARG 35 -2.894 30.920 4.601 452 1HH2 ARG 35 1HH2 ARG 35 -2.366 30.918 1.179 453 2HH2 ARG 35 2HH2 ARG 35 -2.932 31.825 2.542 454 HA PRO 36 HA PRO 36 1.391 25.927 9.987 455 1HB PRO 36 1HB PRO 36 3.971 26.288 10.825 456 2HB PRO 36 2HB PRO 36 3.455 24.889 9.864 457 1HG PRO 36 1HG PRO 36 4.874 27.356 9.003 458 2HG PRO 36 2HG PRO 36 5.085 25.684 8.463 459 1HD PRO 36 1HD PRO 36 3.712 27.578 7.049 460 2HD PRO 36 2HD PRO 36 3.404 25.832 6.926 Start of MODEL 8 1 1H5* G 1 1H5* G 1 12.205 -13.303 2.533 2 2H5* G 1 2H5* G 1 13.237 -14.503 1.722 3 H4* G 1 H4* G 1 11.887 -16.294 2.372 4 H3* G 1 H3* G 1 9.671 -14.250 2.714 5 H2* G 1 H2* G 1 8.722 -15.548 4.447 6 2HO* G 1 2HO* G 1 9.933 -17.741 4.735 7 H1* G 1 H1* G 1 11.115 -16.427 5.554 8 H8 G 1 H8 G 1 11.337 -12.758 4.772 9 H1 G 1 H1 G 1 7.865 -14.073 10.016 10 1H2 G 1 1H2 G 1 7.603 -16.259 10.219 11 2H2 G 1 2H2 G 1 7.970 -17.346 8.898 12 1H5* C 2 1H5* C 2 6.914 -18.496 2.443 13 2H5* C 2 2H5* C 2 6.073 -17.689 1.100 14 H4* C 2 H4* C 2 4.561 -18.490 2.959 15 H3* C 2 H3* C 2 4.688 -15.526 2.298 16 H2* C 2 H2* C 2 3.071 -15.114 3.956 17 2HO* C 2 2HO* C 2 2.555 -17.910 3.945 18 H1* C 2 H1* C 2 3.951 -17.092 5.745 19 1H4 C 2 1H4 C 2 6.057 -11.677 8.255 20 2H4 C 2 2H4 C 2 7.244 -11.491 6.990 21 H5 C 2 H5 C 2 7.103 -12.795 4.923 22 H6 C 2 H6 C 2 6.503 -15.038 4.104 23 1H5* C 3 1H5* C 3 0.261 -13.981 1.396 24 2H5* C 3 2H5* C 3 1.432 -12.714 1.799 25 H4* C 3 H4* C 3 -0.250 -14.402 3.646 26 H3* C 3 H3* C 3 0.309 -11.455 3.267 27 H2* C 3 H2* C 3 0.014 -11.068 5.553 28 2HO* C 3 2HO* C 3 -1.228 -12.206 6.816 29 H1* C 3 H1* C 3 1.202 -13.419 6.443 30 1H4 C 3 1H4 C 3 5.672 -8.931 7.039 31 2H4 C 3 2H4 C 3 5.895 -8.868 5.305 32 H5 C 3 H5 C 3 4.855 -10.548 3.859 33 H6 C 3 H6 C 3 3.109 -12.222 3.688 34 1H5* C 4 1H5* C 4 -4.154 -10.352 4.571 35 2H5* C 4 2H5* C 4 -2.398 -10.190 4.383 36 H4* C 4 H4* C 4 -3.945 -9.948 6.981 37 H3* C 4 H3* C 4 -2.697 -7.888 5.136 38 H2* C 4 H2* C 4 -2.021 -6.623 6.973 39 2HO* C 4 2HO* C 4 -3.213 -8.135 8.949 40 H1* C 4 H1* C 4 -1.390 -8.776 8.625 41 1H4 C 4 1H4 C 4 3.801 -6.307 5.669 42 2H4 C 4 2H4 C 4 4.149 -7.981 5.313 43 H5 C 4 H5 C 4 1.751 -8.738 4.339 44 H6 C 4 H6 C 4 -0.384 -9.314 5.206 45 1H5* U 5 1H5* U 5 -5.122 -4.699 6.260 46 2H5* U 5 2H5* U 5 -3.717 -5.763 6.365 47 H4* U 5 H4* U 5 -4.293 -4.045 8.740 48 H3* U 5 H3* U 5 -3.178 -3.006 6.103 49 H2* U 5 H2* U 5 -1.618 -1.736 7.320 50 2HO* U 5 2HO* U 5 -3.477 -1.194 8.913 51 H1* U 5 H1* U 5 -1.298 -3.604 9.396 52 H3 U 5 H3 U 5 2.666 -2.710 7.289 53 H5 U 5 H5 U 5 0.842 -5.725 5.019 54 H6 U 5 H6 U 5 -1.183 -5.274 6.229 55 1H5* G 6 1H5* G 6 -2.620 -0.345 7.382 56 2H5* G 6 2H5* G 6 -3.145 1.145 8.178 57 H4* G 6 H4* G 6 -2.110 2.464 6.637 58 H3* G 6 H3* G 6 -2.916 0.383 4.574 59 H2* G 6 H2* G 6 -1.219 1.158 3.171 60 2HO* G 6 2HO* G 6 -0.384 3.175 3.253 61 H1* G 6 H1* G 6 0.605 1.816 5.208 62 H8 G 6 H8 G 6 -1.324 -1.513 4.824 63 H1 G 6 H1 G 6 4.686 -1.512 2.537 64 1H2 G 6 1H2 G 6 5.423 0.626 2.418 65 2H2 G 6 2H2 G 6 4.828 1.728 3.646 66 1H5* A 7 1H5* A 7 -4.625 1.807 0.589 67 2H5* A 7 2H5* A 7 -3.702 0.290 0.615 68 H4* A 7 H4* A 7 -2.834 1.718 -1.139 69 H3* A 7 H3* A 7 -1.029 1.584 1.303 70 H2* A 7 H2* A 7 0.516 2.959 0.151 71 2HO* A 7 2HO* A 7 0.288 3.333 -2.118 72 H1* A 7 H1* A 7 -1.427 4.423 -1.236 73 H8 A 7 H8 A 7 -2.432 4.569 2.308 74 1H6 A 7 1H6 A 7 1.720 7.773 3.977 75 2H6 A 7 2H6 A 7 0.844 9.070 3.195 76 H2 A 7 H2 A 7 2.618 7.011 -0.815 77 1H5* A 8 1H5* A 8 0.942 0.611 -1.703 78 2H5* A 8 2H5* A 8 2.222 -0.609 -1.878 79 H4* A 8 H4* A 8 3.220 1.558 -2.192 80 H3* A 8 H3* A 8 3.773 0.346 0.534 81 H2* A 8 H2* A 8 5.090 2.217 1.114 82 2HO* A 8 2HO* A 8 5.207 3.810 -0.901 83 H1* A 8 H1* A 8 3.482 4.107 -0.177 84 H8 A 8 H8 A 8 1.226 1.767 1.652 85 1H6 A 8 1H6 A 8 2.592 4.829 6.862 86 2H6 A 8 2H6 A 8 1.384 3.843 6.069 87 H2 A 8 H2 A 8 5.451 6.169 3.673 88 1H5* A 9 2H5* A 9 8.251 -1.176 -2.402 89 2H5* A 9 1H5* A 9 7.279 -0.314 -1.191 90 H4* A 9 H4* A 9 9.450 0.713 -2.615 91 H3* A 9 H3* A 9 7.197 2.032 -1.077 92 H2* A 9 H2* A 9 8.037 4.143 -1.754 93 2HO* A 9 2HO* A 9 10.093 4.143 -2.983 94 H1* A 9 H1* A 9 8.713 3.332 -4.341 95 H8 A 9 H8 A 9 6.294 4.586 -1.956 96 1H6 A 9 1H6 A 9 2.311 5.137 -4.732 97 2H6 A 9 2H6 A 9 2.072 4.956 -6.456 98 H2 A 9 H2 A 9 5.358 2.213 -7.842 99 1H5* A 10 1H5* A 10 9.781 0.374 3.931 100 2H5* A 10 2H5* A 10 8.194 0.934 3.370 101 H4* A 10 H4* A 10 10.346 2.984 3.488 102 H3* A 10 H3* A 10 9.188 1.619 5.919 103 H2* A 10 H2* A 10 8.864 3.680 6.996 104 2HO* A 10 2HO* A 10 9.764 5.631 5.896 105 H1* A 10 H1* A 10 8.105 5.130 4.745 106 H8 A 10 H8 A 10 6.124 2.292 4.023 107 1H6 A 10 1H6 A 10 2.270 3.702 8.527 108 2H6 A 10 2H6 A 10 2.847 2.202 7.836 109 H2 A 10 H2 A 10 6.245 5.784 9.412 110 1H5* A 11 1H5* A 11 10.686 4.235 9.159 111 2H5* A 11 2H5* A 11 11.176 2.760 10.022 112 H4* A 11 H4* A 11 8.912 4.084 10.602 113 H3* A 11 H3* A 11 9.400 1.097 10.596 114 H2* A 11 H2* A 11 7.129 0.709 11.090 115 2HO* A 11 2HO* A 11 6.920 3.474 11.696 116 H1* A 11 H1* A 11 6.078 2.758 9.554 117 H8 A 11 H8 A 11 8.797 1.017 7.625 118 1H6 A 11 1H6 A 11 4.988 -3.418 6.267 119 2H6 A 11 2H6 A 11 5.553 -2.188 5.162 120 H2 A 11 H2 A 11 2.749 -0.558 9.131 121 1H5* G 12 1H5* G 12 9.344 -1.930 13.393 122 2H5* G 12 2H5* G 12 9.212 -0.996 11.893 123 H4* G 12 H4* G 12 7.091 -0.300 13.756 124 H3* G 12 H3* G 12 7.414 -3.209 13.013 125 H2* G 12 H2* G 12 5.095 -3.336 12.558 126 2HO* G 12 2HO* G 12 4.535 -2.114 14.512 127 H1* G 12 H1* G 12 4.870 -0.792 11.409 128 H8 G 12 H8 G 12 7.799 -1.769 9.658 129 H1 G 12 H1 G 12 2.946 -5.674 8.093 130 1H2 G 12 1H2 G 12 1.280 -5.424 9.505 131 2H2 G 12 2H2 G 12 1.454 -4.507 10.984 132 1H5* G 13 1H5* G 13 4.782 -3.591 16.208 133 2H5* G 13 2H5* G 13 5.286 -4.713 17.490 134 H4* G 13 H4* G 13 3.169 -5.469 16.644 135 H3* G 13 H3* G 13 5.514 -7.051 15.557 136 H2* G 13 H2* G 13 4.065 -8.369 14.304 137 2HO* G 13 2HO* G 13 1.623 -7.551 14.961 138 H1* G 13 H1* G 13 2.231 -6.359 13.680 139 H8 G 13 H8 G 13 5.671 -5.043 13.057 140 H1 G 13 H1 G 13 3.647 -9.149 8.543 141 1H2 G 13 1H2 G 13 1.516 -9.831 9.163 142 2H2 G 13 2H2 G 13 1.451 -10.258 10.858 143 1H5* G 14 1H5* G 14 0.592 -9.109 16.505 144 2H5* G 14 2H5* G 14 0.710 -9.857 18.113 145 H4* G 14 H4* G 14 0.197 -11.738 16.874 146 H3* G 14 H3* G 14 3.192 -11.453 16.512 147 H2* G 14 H2* G 14 3.122 -13.396 15.148 148 2HO* G 14 2HO* G 14 0.524 -14.045 15.210 149 H1* G 14 H1* G 14 0.733 -12.723 13.869 150 H8 G 14 H8 G 14 3.242 -9.917 14.480 151 H1 G 14 H1 G 14 4.248 -13.232 9.066 152 1H2 G 14 1H2 G 14 3.114 -15.210 9.250 153 2H2 G 14 2H2 G 14 1.526 -15.059 9.968 154 1H5* C 15 1H5* C 15 2.462 -15.211 16.954 155 2H5* C 15 2H5* C 15 3.403 -16.061 18.202 156 H4* C 15 H4* C 15 3.697 -17.335 16.214 157 H3* C 15 H3* C 15 6.057 -15.491 16.687 158 H2* C 15 H2* C 15 7.082 -16.406 14.769 159 2HO* C 15 2HO* C 15 6.579 -18.631 15.430 160 H1* C 15 H1* C 15 4.681 -16.817 13.349 161 1H4 C 15 1H4 C 15 7.377 -11.849 10.511 162 2H4 C 15 2H4 C 15 7.394 -10.922 11.998 163 H5 C 15 H5 C 15 6.046 -11.670 13.921 164 H6 C 15 H6 C 15 5.015 -13.587 14.974 165 2H ASP 2 2H ASP 2 9.444 -9.979 -1.406 166 1H ASP 2 1H ASP 2 9.340 -11.520 -2.109 167 3H ASP 2 3H ASP 2 10.769 -11.041 -1.325 168 HA ASP 2 HA ASP 2 9.707 -12.451 0.218 169 1HB ASP 2 1HB ASP 2 8.884 -9.612 0.883 170 2HB ASP 2 2HB ASP 2 9.339 -10.883 2.015 171 H ALA 3 H ALA 3 7.541 -11.804 1.848 172 HA ALA 3 HA ALA 3 5.283 -12.665 0.145 173 1HB ALA 3 1HB ALA 3 5.857 -13.776 2.288 174 2HB ALA 3 2HB ALA 3 5.570 -12.258 3.138 175 3HB ALA 3 3HB ALA 3 4.235 -13.087 2.338 176 H GLN 4 H GLN 4 6.210 -9.911 2.172 177 HA GLN 4 HA GLN 4 3.667 -8.548 1.969 178 1HB GLN 4 1HB GLN 4 5.503 -8.194 3.683 179 2HB GLN 4 2HB GLN 4 6.445 -7.409 2.418 180 1HG GLN 4 1HG GLN 4 4.457 -5.855 2.072 181 2HG GLN 4 2HG GLN 4 3.796 -6.512 3.568 182 1HE2 GLN 4 2HE2 GLN 4 5.223 -3.801 2.666 183 2HE2 GLN 4 1HE2 GLN 4 6.269 -3.509 3.971 184 H THR 5 H THR 5 6.806 -7.972 0.373 185 HA THR 5 HA THR 5 6.015 -6.000 -1.476 186 HB THR 5 HB THR 5 7.857 -8.393 -1.856 187 HG1 THR 5 HG1 THR 5 8.812 -7.329 -0.297 188 1HG2 THR 5 1HG2 THR 5 7.417 -5.847 -3.394 189 2HG2 THR 5 2HG2 THR 5 8.988 -6.652 -3.420 190 3HG2 THR 5 3HG2 THR 5 7.553 -7.497 -4.003 191 H ARG 6 H ARG 6 5.480 -9.472 -1.442 192 HA ARG 6 HA ARG 6 4.275 -9.685 -4.084 193 1HB ARG 6 1HB ARG 6 4.939 -11.318 -1.790 194 2HB ARG 6 2HB ARG 6 3.270 -11.634 -2.277 195 1HG ARG 6 1HG ARG 6 4.460 -11.617 -4.712 196 2HG ARG 6 2HG ARG 6 5.808 -12.194 -3.730 197 1HD ARG 6 1HD ARG 6 3.051 -13.412 -3.462 198 2HD ARG 6 2HD ARG 6 4.214 -14.000 -4.667 199 HE ARG 6 HE ARG 6 4.430 -14.365 -1.786 200 1HH1 ARG 6 1HH1 ARG 6 6.178 -13.957 -4.758 201 2HH1 ARG 6 2HH1 ARG 6 7.592 -14.766 -4.172 202 1HH2 ARG 6 1HH2 ARG 6 6.268 -15.412 -1.038 203 2HH2 ARG 6 2HH2 ARG 6 7.644 -15.586 -2.076 204 H ARG 7 H ARG 7 3.115 -9.494 -0.736 205 HA ARG 7 HA ARG 7 0.341 -9.564 -1.267 206 1HB ARG 7 1HB ARG 7 1.228 -9.806 0.955 207 2HB ARG 7 2HB ARG 7 2.050 -8.252 0.860 208 1HG ARG 7 1HG ARG 7 -0.356 -7.275 0.530 209 2HG ARG 7 2HG ARG 7 -0.884 -8.811 1.218 210 1HD ARG 7 1HD ARG 7 0.106 -8.370 3.289 211 2HD ARG 7 2HD ARG 7 1.277 -7.233 2.601 212 HE ARG 7 HE ARG 7 -0.348 -5.543 2.825 213 1HH1 ARG 7 1HH1 ARG 7 -1.824 -8.688 2.819 214 2HH1 ARG 7 2HH1 ARG 7 -3.409 -8.073 3.134 215 1HH2 ARG 7 1HH2 ARG 7 -2.417 -4.760 3.241 216 2HH2 ARG 7 2HH2 ARG 7 -3.744 -5.864 3.372 217 H ARG 8 H ARG 8 2.684 -6.946 -1.453 218 HA ARG 8 HA ARG 8 0.961 -4.692 -1.599 219 1HB ARG 8 1HB ARG 8 3.646 -5.208 -1.737 220 2HB ARG 8 2HB ARG 8 3.312 -4.820 -3.423 221 1HG ARG 8 1HG ARG 8 3.859 -2.745 -2.389 222 2HG ARG 8 2HG ARG 8 2.104 -2.741 -2.556 223 1HD ARG 8 1HD ARG 8 2.876 -1.990 -0.281 224 2HD ARG 8 2HD ARG 8 1.845 -3.433 -0.214 225 HE ARG 8 HE ARG 8 3.725 -4.673 0.498 226 1HH1 ARG 8 1HH1 ARG 8 4.698 -1.722 -1.019 227 2HH1 ARG 8 2HH1 ARG 8 6.375 -1.948 -0.657 228 1HH2 ARG 8 1HH2 ARG 8 5.900 -4.966 0.968 229 2HH2 ARG 8 2HH2 ARG 8 7.055 -3.777 0.462 230 H GLU 9 H GLU 9 1.958 -7.015 -4.082 231 HA GLU 9 HA GLU 9 0.652 -5.692 -6.278 232 1HB GLU 9 1HB GLU 9 1.197 -8.635 -5.722 233 2HB GLU 9 2HB GLU 9 0.804 -7.965 -7.306 234 1HG GLU 9 1HG GLU 9 2.906 -6.366 -6.438 235 2HG GLU 9 2HG GLU 9 3.358 -7.976 -5.877 236 H ARG 10 H ARG 10 -0.364 -7.782 -3.688 237 HA ARG 10 HA ARG 10 -3.079 -8.185 -4.673 238 1HB ARG 10 1HB ARG 10 -1.342 -8.970 -2.453 239 2HB ARG 10 2HB ARG 10 -2.971 -8.590 -1.906 240 1HG ARG 10 1HG ARG 10 -3.573 -10.657 -2.583 241 2HG ARG 10 2HG ARG 10 -3.346 -10.099 -4.240 242 1HD ARG 10 1HD ARG 10 -0.762 -10.619 -3.573 243 2HD ARG 10 2HD ARG 10 -1.593 -11.835 -2.585 244 HE ARG 10 HE ARG 10 -1.540 -11.750 -5.514 245 1HH1 ARG 10 1HH1 ARG 10 -3.230 -12.805 -2.666 246 2HH1 ARG 10 2HH1 ARG 10 -4.045 -14.092 -3.487 247 1HH2 ARG 10 1HH2 ARG 10 -2.609 -13.426 -6.565 248 2HH2 ARG 10 2HH2 ARG 10 -3.696 -14.443 -5.680 249 H ARG 11 H ARG 11 -1.307 -5.679 -3.113 250 HA ARG 11 HA ARG 11 -3.733 -4.447 -1.937 251 1HB ARG 11 1HB ARG 11 -0.794 -3.699 -2.013 252 2HB ARG 11 2HB ARG 11 -2.034 -2.774 -1.169 253 1HG ARG 11 1HG ARG 11 -1.260 -5.656 -0.615 254 2HG ARG 11 2HG ARG 11 -0.900 -4.280 0.414 255 1HD ARG 11 1HD ARG 11 -2.953 -4.403 1.383 256 2HD ARG 11 2HD ARG 11 -3.754 -4.417 -0.194 257 HE ARG 11 HE ARG 11 -2.443 -6.935 0.233 258 1HH1 ARG 11 1HH1 ARG 11 -5.177 -5.052 1.249 259 2HH1 ARG 11 2HH1 ARG 11 -6.138 -6.438 1.635 260 1HH2 ARG 11 1HH2 ARG 11 -3.702 -8.728 0.738 261 2HH2 ARG 11 2HH2 ARG 11 -5.308 -8.509 1.348 262 H ALA 12 H ALA 12 -2.465 -4.625 -5.001 263 HA ALA 12 HA ALA 12 -2.291 -1.935 -5.930 264 1HB ALA 12 1HB ALA 12 -1.853 -4.090 -7.195 265 2HB ALA 12 2HB ALA 12 -3.598 -4.317 -7.310 266 3HB ALA 12 3HB ALA 12 -2.836 -2.935 -8.096 267 H GLU 13 H GLU 13 -5.027 -3.875 -4.923 268 HA GLU 13 HA GLU 13 -7.075 -2.103 -6.009 269 1HB GLU 13 1HB GLU 13 -7.028 -4.316 -3.927 270 2HB GLU 13 2HB GLU 13 -8.509 -3.530 -4.473 271 1HG GLU 13 1HG GLU 13 -8.533 -4.686 -6.420 272 2HG GLU 13 2HG GLU 13 -6.809 -4.428 -6.689 273 H LYS 14 H LYS 14 -5.261 -2.479 -2.995 274 HA LYS 14 HA LYS 14 -6.834 -0.464 -1.549 275 1HB LYS 14 1HB LYS 14 -4.125 -1.774 -1.057 276 2HB LYS 14 2HB LYS 14 -5.033 -0.839 0.135 277 1HG LYS 14 1HG LYS 14 -6.134 -3.310 -1.221 278 2HG LYS 14 2HG LYS 14 -5.299 -3.346 0.334 279 1HD LYS 14 1HD LYS 14 -7.004 -1.478 1.002 280 2HD LYS 14 2HD LYS 14 -7.944 -2.091 -0.360 281 1HE LYS 14 1HE LYS 14 -7.765 -4.401 0.646 282 2HE LYS 14 2HE LYS 14 -7.028 -3.655 2.078 283 1HZ LYS 14 1HZ LYS 14 -8.966 -2.125 2.137 284 2HZ LYS 14 2HZ LYS 14 -9.697 -3.057 0.918 285 3HZ LYS 14 3HZ LYS 14 -9.375 -3.748 2.433 286 H GLN 15 H GLN 15 -3.883 -0.735 -3.383 287 HA GLN 15 HA GLN 15 -2.837 1.914 -2.923 288 1HB GLN 15 1HB GLN 15 -2.292 -0.547 -4.400 289 2HB GLN 15 2HB GLN 15 -1.890 0.865 -5.360 290 1HG GLN 15 1HG GLN 15 -0.263 1.588 -3.861 291 2HG GLN 15 2HG GLN 15 -1.029 0.774 -2.496 292 1HE2 GLN 15 2HE2 GLN 15 -1.079 -1.749 -2.765 293 2HE2 GLN 15 1HE2 GLN 15 0.337 -2.462 -3.375 294 H ALA 16 H ALA 16 -4.559 0.394 -5.658 295 HA ALA 16 HA ALA 16 -4.760 2.805 -7.224 296 1HB ALA 16 1HB ALA 16 -5.022 0.482 -8.074 297 2HB ALA 16 2HB ALA 16 -6.510 0.315 -7.141 298 3HB ALA 16 3HB ALA 16 -6.430 1.467 -8.473 299 H GLN 17 H GLN 17 -6.665 1.507 -4.554 300 HA GLN 17 HA GLN 17 -8.910 3.351 -5.002 301 1HB GLN 17 1HB GLN 17 -8.010 1.334 -2.961 302 2HB GLN 17 2HB GLN 17 -9.264 2.485 -2.506 303 1HG GLN 17 1HG GLN 17 -9.727 1.302 -5.146 304 2HG GLN 17 2HG GLN 17 -9.682 0.098 -3.860 305 1HE2 GLN 17 2HE2 GLN 17 -10.788 3.484 -3.505 306 2HE2 GLN 17 1HE2 GLN 17 -12.393 3.086 -3.121 307 H TRP 18 H TRP 18 -5.989 3.151 -3.082 308 HA TRP 18 HA TRP 18 -6.454 5.601 -1.561 309 1HB TRP 18 1HB TRP 18 -5.034 3.786 -0.722 310 2HB TRP 18 2HB TRP 18 -4.049 3.855 -2.168 311 HD1 TRP 18 HD1 TRP 18 -4.576 5.644 1.137 312 HE1 TRP 18 HE1 TRP 18 -2.756 7.467 1.369 313 HE3 TRP 18 HE3 TRP 18 -2.554 5.461 -3.487 314 HZ2 TRP 18 HZ2 TRP 18 -0.704 8.659 -0.206 315 HZ3 TRP 18 HZ3 TRP 18 -0.695 6.913 -4.107 316 HH2 TRP 18 HH2 TRP 18 0.247 8.498 -2.503 317 H LYS 19 H LYS 19 -4.421 4.600 -4.265 318 HA LYS 19 HA LYS 19 -3.151 7.075 -4.828 319 1HB LYS 19 1HB LYS 19 -3.908 4.636 -6.457 320 2HB LYS 19 2HB LYS 19 -3.020 5.978 -7.160 321 1HG LYS 19 1HG LYS 19 -1.368 5.708 -5.225 322 2HG LYS 19 2HG LYS 19 -2.142 4.157 -4.928 323 1HD LYS 19 1HD LYS 19 -1.000 4.980 -7.609 324 2HD LYS 19 2HD LYS 19 -0.118 4.020 -6.421 325 1HE LYS 19 1HE LYS 19 -2.278 2.497 -6.479 326 2HE LYS 19 2HE LYS 19 -2.511 3.253 -8.068 327 1HZ LYS 19 1HZ LYS 19 -0.192 2.710 -8.593 328 2HZ LYS 19 2HZ LYS 19 -0.041 1.901 -7.109 329 3HZ LYS 19 3HZ LYS 19 -1.111 1.312 -8.292 330 H ALA 20 H ALA 20 -6.258 5.699 -5.768 331 HA ALA 20 HA ALA 20 -6.972 7.615 -7.733 332 1HB ALA 20 1HB ALA 20 -8.255 5.620 -5.993 333 2HB ALA 20 2HB ALA 20 -9.324 6.925 -6.507 334 3HB ALA 20 3HB ALA 20 -8.506 5.930 -7.711 335 H ALA 21 H ALA 21 -6.980 7.723 -4.226 336 HA ALA 21 HA ALA 21 -8.079 10.500 -4.353 337 1HB ALA 21 1HB ALA 21 -8.509 8.158 -2.559 338 2HB ALA 21 2HB ALA 21 -8.539 9.752 -1.808 339 3HB ALA 21 3HB ALA 21 -9.668 9.368 -3.107 340 H ASN 22 H ASN 22 -5.298 9.483 -4.545 341 HA ASN 22 HA ASN 22 -4.102 11.370 -2.621 342 1HB ASN 22 1HB ASN 22 -3.498 8.399 -2.631 343 2HB ASN 22 2HB ASN 22 -2.542 9.606 -1.773 344 1HD2 ASN 22 2HD2 ASN 22 -4.993 7.428 -1.313 345 2HD2 ASN 22 1HD2 ASN 22 -5.775 8.148 0.012 346 HA PRO 23 HA PRO 23 -1.968 10.622 -6.763 347 1HB PRO 23 1HB PRO 23 -2.717 12.957 -7.988 348 2HB PRO 23 2HB PRO 23 -3.649 11.453 -8.138 349 1HG PRO 23 1HG PRO 23 -4.141 13.819 -6.406 350 2HG PRO 23 2HG PRO 23 -5.295 12.795 -7.274 351 1HD PRO 23 1HD PRO 23 -4.798 12.577 -4.600 352 2HD PRO 23 2HD PRO 23 -5.353 11.224 -5.597 353 H LEU 24 H LEU 24 -2.550 13.308 -4.608 354 HA LEU 24 HA LEU 24 -0.311 14.967 -5.141 355 1HB LEU 24 1HB LEU 24 -0.946 15.959 -3.110 356 2HB LEU 24 2HB LEU 24 -2.405 15.045 -3.470 357 HG LEU 24 HG LEU 24 -0.166 13.899 -1.774 358 1HD1 LEU 24 1HD1 LEU 24 -2.607 15.457 -0.889 359 2HD1 LEU 24 2HD1 LEU 24 -1.542 14.555 0.188 360 3HD1 LEU 24 3HD1 LEU 24 -0.925 15.950 -0.697 361 1HD2 LEU 24 1HD2 LEU 24 -2.400 12.702 -2.893 362 2HD2 LEU 24 2HD2 LEU 24 -1.550 12.103 -1.470 363 3HD2 LEU 24 3HD2 LEU 24 -2.972 13.131 -1.286 364 H LEU 25 H LEU 25 -0.629 11.972 -3.357 365 HA LEU 25 HA LEU 25 2.283 11.925 -2.738 366 1HB LEU 25 1HB LEU 25 -0.245 10.641 -1.734 367 2HB LEU 25 2HB LEU 25 1.279 9.775 -1.504 368 HG LEU 25 HG LEU 25 0.996 12.675 -0.718 369 1HD1 LEU 25 1HD1 LEU 25 -0.660 10.864 0.368 370 2HD1 LEU 25 2HD1 LEU 25 0.773 10.527 1.340 371 3HD1 LEU 25 3HD1 LEU 25 0.078 12.147 1.329 372 1HD2 LEU 25 1HD2 LEU 25 3.230 11.337 -0.958 373 2HD2 LEU 25 2HD2 LEU 25 2.976 12.306 0.493 374 3HD2 LEU 25 3HD2 LEU 25 2.731 10.560 0.545 375 H VAL 26 H VAL 26 1.173 11.695 -5.366 376 HA VAL 26 HA VAL 26 2.264 9.078 -6.179 377 HB VAL 26 HB VAL 26 -0.559 9.801 -5.872 378 1HG1 VAL 26 1HG1 VAL 26 0.415 8.998 -8.625 379 2HG1 VAL 26 2HG1 VAL 26 -1.239 8.721 -8.077 380 3HG1 VAL 26 3HG1 VAL 26 -0.611 10.367 -8.187 381 1HG2 VAL 26 1HG2 VAL 26 0.620 7.732 -5.085 382 2HG2 VAL 26 2HG2 VAL 26 -0.831 7.397 -6.031 383 3HG2 VAL 26 3HG2 VAL 26 0.765 7.224 -6.769 384 H GLY 27 H GLY 27 3.615 9.651 -7.861 385 1HA GLY 27 1HA GLY 27 4.313 10.682 -9.877 386 2HA GLY 27 2HA GLY 27 2.658 11.270 -10.083 387 H VAL 28 H VAL 28 2.086 12.947 -8.203 388 HA VAL 28 HA VAL 28 3.458 15.362 -8.573 389 HB VAL 28 HB VAL 28 1.767 14.165 -6.382 390 1HG1 VAL 28 1HG1 VAL 28 2.872 16.992 -6.444 391 2HG1 VAL 28 2HG1 VAL 28 1.632 16.408 -5.334 392 3HG1 VAL 28 3HG1 VAL 28 3.269 15.756 -5.250 393 1HG2 VAL 28 1HG2 VAL 28 0.841 14.860 -8.635 394 2HG2 VAL 28 2HG2 VAL 28 0.090 15.658 -7.253 395 3HG2 VAL 28 3HG2 VAL 28 1.282 16.518 -8.228 396 H SER 29 H SER 29 4.754 16.531 -6.750 397 HA SER 29 HA SER 29 7.073 14.925 -6.079 398 1HB SER 29 1HB SER 29 6.295 17.664 -5.056 399 2HB SER 29 2HB SER 29 7.923 17.018 -5.235 400 HG SER 29 HG SER 29 7.553 16.960 -7.494 401 H ALA 30 H ALA 30 4.945 13.626 -4.929 402 HA ALA 30 HA ALA 30 3.853 13.073 -2.872 403 1HB ALA 30 1HB ALA 30 6.821 12.857 -2.834 404 2HB ALA 30 2HB ALA 30 5.979 12.551 -1.314 405 3HB ALA 30 3HB ALA 30 5.599 11.587 -2.744 406 H LYS 31 H LYS 31 3.196 15.560 -2.731 407 HA LYS 31 HA LYS 31 4.162 16.537 -0.075 408 1HB LYS 31 1HB LYS 31 4.196 18.818 -1.052 409 2HB LYS 31 2HB LYS 31 5.297 17.742 -1.909 410 1HG LYS 31 1HG LYS 31 3.950 17.646 -3.804 411 2HG LYS 31 2HG LYS 31 2.476 17.996 -2.898 412 1HD LYS 31 1HD LYS 31 3.065 19.952 -4.224 413 2HD LYS 31 2HD LYS 31 3.315 20.322 -2.517 414 1HE LYS 31 1HE LYS 31 5.699 20.032 -2.714 415 2HE LYS 31 2HE LYS 31 5.538 19.357 -4.347 416 1HZ LYS 31 1HZ LYS 31 4.542 22.050 -3.605 417 2HZ LYS 31 2HZ LYS 31 6.087 21.793 -4.255 418 3HZ LYS 31 3HZ LYS 31 4.708 21.398 -5.165 419 HA PRO 32 HA PRO 32 -0.108 17.100 0.756 420 1HB PRO 32 1HB PRO 32 -0.125 19.372 2.287 421 2HB PRO 32 2HB PRO 32 0.466 17.807 2.884 422 1HG PRO 32 1HG PRO 32 2.002 20.155 1.889 423 2HG PRO 32 2HG PRO 32 2.360 19.059 3.233 424 1HD PRO 32 1HD PRO 32 3.571 18.892 0.798 425 2HD PRO 32 2HD PRO 32 3.332 17.495 1.871 426 H VAL 33 H VAL 33 -1.950 18.748 0.489 427 HA VAL 33 HA VAL 33 -1.314 20.908 -1.464 428 HB VAL 33 HB VAL 33 -3.443 19.921 -2.702 429 1HG1 VAL 33 1HG1 VAL 33 -0.945 20.066 -3.405 430 2HG1 VAL 33 2HG1 VAL 33 -0.884 18.356 -2.978 431 3HG1 VAL 33 3HG1 VAL 33 -1.980 18.911 -4.242 432 1HG2 VAL 33 1HG2 VAL 33 -3.408 18.114 -0.705 433 2HG2 VAL 33 2HG2 VAL 33 -3.959 17.704 -2.329 434 3HG2 VAL 33 3HG2 VAL 33 -2.318 17.299 -1.825 435 H ASN 34 H ASN 34 -4.581 19.724 -0.945 436 HA ASN 34 HA ASN 34 -5.213 21.502 1.270 437 1HB ASN 34 1HB ASN 34 -4.955 22.603 -1.320 438 2HB ASN 34 2HB ASN 34 -6.690 22.504 -1.018 439 1HD2 ASN 34 2HD2 ASN 34 -3.730 23.421 0.854 440 2HD2 ASN 34 1HD2 ASN 34 -4.439 24.784 1.575 441 H ARG 35 H ARG 35 -7.655 21.570 1.590 442 HA ARG 35 HA ARG 35 -9.677 20.371 1.843 443 1HB ARG 35 1HB ARG 35 -8.995 19.742 -1.050 444 2HB ARG 35 2HB ARG 35 -10.601 19.632 -0.326 445 1HG ARG 35 1HG ARG 35 -10.949 21.834 -0.639 446 2HG ARG 35 2HG ARG 35 -9.465 22.229 0.228 447 1HD ARG 35 1HD ARG 35 -8.678 22.965 -1.779 448 2HD ARG 35 2HD ARG 35 -8.550 21.252 -2.227 449 HE ARG 35 HE ARG 35 -10.466 21.530 -3.572 450 1HH1 ARG 35 1HH1 ARG 35 -10.255 24.037 -1.181 451 2HH1 ARG 35 2HH1 ARG 35 -11.626 24.898 -1.793 452 1HH2 ARG 35 1HH2 ARG 35 -12.247 22.655 -4.359 453 2HH2 ARG 35 2HH2 ARG 35 -12.749 24.120 -3.583 454 HA PRO 36 HA PRO 36 -7.230 16.344 1.999 455 1HB PRO 36 1HB PRO 36 -6.828 16.254 4.705 456 2HB PRO 36 2HB PRO 36 -5.685 17.020 3.582 457 1HG PRO 36 1HG PRO 36 -7.734 18.269 5.339 458 2HG PRO 36 2HG PRO 36 -6.103 18.824 4.935 459 1HD PRO 36 1HD PRO 36 -8.373 19.836 3.801 460 2HD PRO 36 2HD PRO 36 -6.786 19.834 3.002 Start of MODEL 9 1 1H5* G 1 1H5* G 1 12.215 -16.168 1.716 2 2H5* G 1 2H5* G 1 13.231 -16.663 3.088 3 H4* G 1 H4* G 1 11.299 -18.733 2.490 4 H3* G 1 H3* G 1 10.228 -15.925 2.946 5 H2* G 1 H2* G 1 8.537 -16.835 4.326 6 2HO* G 1 2HO* G 1 8.533 -19.272 4.494 7 H1* G 1 H1* G 1 10.180 -18.749 5.506 8 H8 G 1 H8 G 1 12.042 -15.505 5.354 9 H1 G 1 H1 G 1 7.415 -15.586 9.812 10 1H2 G 1 1H2 G 1 6.459 -17.719 9.740 11 2H2 G 1 2H2 G 1 6.111 -18.181 8.089 12 1H5* C 2 1H5* C 2 6.473 -16.681 1.146 13 2H5* C 2 2H5* C 2 7.501 -16.501 2.585 14 H4* C 2 H4* C 2 5.023 -18.159 2.840 15 H3* C 2 H3* C 2 5.061 -15.144 2.532 16 H2* C 2 H2* C 2 3.541 -14.921 4.310 17 2HO* C 2 2HO* C 2 1.949 -16.308 4.129 18 H1* C 2 H1* C 2 4.537 -17.001 5.876 19 1H4 C 2 1H4 C 2 6.879 -11.723 8.481 20 2H4 C 2 2H4 C 2 8.172 -11.689 7.309 21 H5 C 2 H5 C 2 8.075 -13.032 5.270 22 H6 C 2 H6 C 2 7.198 -15.108 4.330 23 1H5* C 3 1H5* C 3 0.506 -13.872 1.641 24 2H5* C 3 2H5* C 3 1.451 -12.415 1.998 25 H4* C 3 H4* C 3 -0.014 -14.253 3.840 26 H3* C 3 H3* C 3 0.562 -11.297 3.603 27 H2* C 3 H2* C 3 0.360 -11.019 5.908 28 2HO* C 3 2HO* C 3 -0.651 -12.390 7.266 29 H1* C 3 H1* C 3 1.542 -13.419 6.658 30 1H4 C 3 1H4 C 3 6.031 -8.926 7.227 31 2H4 C 3 2H4 C 3 6.304 -8.949 5.499 32 H5 C 3 H5 C 3 5.301 -10.718 4.126 33 H6 C 3 H6 C 3 3.504 -12.333 3.972 34 1H5* C 4 1H5* C 4 -3.969 -10.277 4.913 35 2H5* C 4 2H5* C 4 -2.224 -10.111 4.653 36 H4* C 4 H4* C 4 -3.699 -9.774 7.283 37 H3* C 4 H3* C 4 -2.387 -7.826 5.363 38 H2* C 4 H2* C 4 -1.734 -6.506 7.197 39 2HO* C 4 2HO* C 4 -2.726 -6.512 9.101 40 H1* C 4 H1* C 4 -1.132 -8.636 8.884 41 1H4 C 4 1H4 C 4 4.010 -6.176 5.791 42 2H4 C 4 2H4 C 4 4.425 -7.863 5.602 43 H5 C 4 H5 C 4 2.057 -8.772 4.651 44 H6 C 4 H6 C 4 -0.090 -9.306 5.519 45 1H5* U 5 1H5* U 5 -4.660 -5.758 7.983 46 2H5* U 5 2H5* U 5 -5.606 -4.393 7.348 47 H4* U 5 H4* U 5 -4.190 -3.634 9.176 48 H3* U 5 H3* U 5 -3.250 -2.709 6.436 49 H2* U 5 H2* U 5 -1.537 -1.511 7.500 50 2HO* U 5 2HO* U 5 -2.865 -1.885 9.990 51 H1* U 5 H1* U 5 -1.195 -3.341 9.617 52 H3 U 5 H3 U 5 2.672 -2.469 7.336 53 H5 U 5 H5 U 5 0.796 -5.545 5.215 54 H6 U 5 H6 U 5 -1.183 -5.081 6.478 55 1H5* G 6 1H5* G 6 -2.440 -0.022 7.558 56 2H5* G 6 2H5* G 6 -2.836 1.478 8.411 57 H4* G 6 H4* G 6 -2.110 2.810 6.664 58 H3* G 6 H3* G 6 -2.725 0.463 4.834 59 H2* G 6 H2* G 6 -1.134 1.263 3.323 60 2HO* G 6 2HO* G 6 -1.901 3.670 4.290 61 H1* G 6 H1* G 6 0.637 2.287 5.263 62 H8 G 6 H8 G 6 -0.939 -1.237 5.270 63 H1 G 6 H1 G 6 5.007 -0.871 2.849 64 1H2 G 6 1H2 G 6 5.522 1.290 2.483 65 2H2 G 6 2H2 G 6 4.776 2.490 3.523 66 1H5* A 7 1H5* A 7 -4.735 1.584 0.744 67 2H5* A 7 2H5* A 7 -3.733 0.117 0.752 68 H4* A 7 H4* A 7 -2.969 1.548 -1.030 69 H3* A 7 H3* A 7 -1.128 1.603 1.388 70 H2* A 7 H2* A 7 0.303 3.051 0.178 71 2HO* A 7 2HO* A 7 0.406 3.129 -1.974 72 H1* A 7 H1* A 7 -1.750 4.335 -1.221 73 H8 A 7 H8 A 7 -2.737 4.528 2.322 74 1H6 A 7 1H6 A 7 -0.072 8.950 3.292 75 2H6 A 7 2H6 A 7 1.537 8.345 3.617 76 H2 A 7 H2 A 7 2.146 7.174 -0.902 77 1H5* A 8 1H5* A 8 0.877 0.791 -1.624 78 2H5* A 8 2H5* A 8 2.242 -0.331 -1.808 79 H4* A 8 H4* A 8 3.067 1.900 -2.173 80 H3* A 8 H3* A 8 3.760 0.773 0.562 81 H2* A 8 H2* A 8 4.961 2.740 1.078 82 2HO* A 8 2HO* A 8 4.691 3.606 -1.611 83 H1* A 8 H1* A 8 3.190 4.490 -0.202 84 H8 A 8 H8 A 8 1.114 2.057 1.685 85 1H6 A 8 1H6 A 8 1.519 3.922 6.210 86 2H6 A 8 2H6 A 8 2.101 5.490 6.723 87 H2 A 8 H2 A 8 5.144 6.680 3.614 88 1H5* A 9 2H5* A 9 8.339 -0.325 -2.385 89 2H5* A 9 1H5* A 9 7.299 0.482 -1.193 90 H4* A 9 H4* A 9 9.382 1.639 -2.679 91 H3* A 9 H3* A 9 7.094 2.814 -1.076 92 H2* A 9 H2* A 9 7.788 4.971 -1.774 93 2HO* A 9 2HO* A 9 9.796 5.113 -3.050 94 H1* A 9 H1* A 9 8.425 4.194 -4.381 95 H8 A 9 H8 A 9 6.015 5.304 -1.914 96 1H6 A 9 1H6 A 9 1.751 5.273 -4.597 97 2H6 A 9 2H6 A 9 1.824 5.793 -6.265 98 H2 A 9 H2 A 9 5.064 2.935 -7.802 99 1H5* A 10 1H5* A 10 9.812 1.286 3.861 100 2H5* A 10 2H5* A 10 8.195 1.764 3.313 101 H4* A 10 H4* A 10 10.214 3.939 3.489 102 H3* A 10 H3* A 10 9.164 2.424 5.881 103 H2* A 10 H2* A 10 8.710 4.419 7.026 104 2HO* A 10 2HO* A 10 10.746 5.379 5.458 105 H1* A 10 H1* A 10 7.845 5.896 4.826 106 H8 A 10 H8 A 10 6.040 3.006 3.973 107 1H6 A 10 1H6 A 10 2.548 2.834 7.382 108 2H6 A 10 2H6 A 10 2.309 3.685 8.892 109 H2 A 10 H2 A 10 5.958 6.212 9.533 110 1H5* A 11 1H5* A 11 10.489 4.743 8.889 111 2H5* A 11 2H5* A 11 11.071 3.423 9.929 112 H4* A 11 H4* A 11 8.750 4.596 10.412 113 H3* A 11 H3* A 11 9.332 1.627 10.501 114 H2* A 11 H2* A 11 7.069 1.186 10.999 115 2HO* A 11 2HO* A 11 5.652 2.734 11.725 116 H1* A 11 H1* A 11 5.972 3.157 9.394 117 H8 A 11 H8 A 11 8.727 1.434 7.502 118 1H6 A 11 1H6 A 11 4.930 -3.140 6.290 119 2H6 A 11 2H6 A 11 5.673 -1.973 5.221 120 H2 A 11 H2 A 11 2.739 -0.261 9.109 121 1H5* G 12 1H5* G 12 9.409 -1.325 13.378 122 2H5* G 12 2H5* G 12 9.254 -0.456 11.840 123 H4* G 12 H4* G 12 7.106 0.240 13.680 124 H3* G 12 H3* G 12 7.518 -2.677 13.015 125 H2* G 12 H2* G 12 5.202 -2.884 12.569 126 2HO* G 12 2HO* G 12 5.014 -0.907 14.400 127 H1* G 12 H1* G 12 4.907 -0.381 11.346 128 H8 G 12 H8 G 12 7.880 -1.351 9.643 129 H1 G 12 H1 G 12 3.127 -5.430 8.213 130 1H2 G 12 1H2 G 12 1.390 -5.048 9.546 131 2H2 G 12 2H2 G 12 1.647 -4.286 11.099 132 1H5* G 13 1H5* G 13 4.862 -2.943 16.053 133 2H5* G 13 2H5* G 13 5.210 -4.029 17.415 134 H4* G 13 H4* G 13 3.140 -4.740 16.392 135 H3* G 13 H3* G 13 5.496 -6.486 15.632 136 H2* G 13 H2* G 13 4.049 -7.798 14.344 137 2HO* G 13 2HO* G 13 2.400 -8.004 15.949 138 H1* G 13 H1* G 13 2.379 -5.719 13.490 139 H8 G 13 H8 G 13 5.874 -4.606 12.915 140 H1 G 13 H1 G 13 3.902 -9.001 8.660 141 1H2 G 13 1H2 G 13 1.873 -9.731 9.250 142 2H2 G 13 2H2 G 13 1.435 -9.701 10.943 143 1H5* G 14 1H5* G 14 1.249 -9.086 17.505 144 2H5* G 14 2H5* G 14 2.394 -10.293 18.135 145 H4* G 14 H4* G 14 0.400 -11.081 16.618 146 H3* G 14 H3* G 14 3.282 -11.937 16.281 147 H2* G 14 H2* G 14 2.652 -13.268 14.435 148 2HO* G 14 2HO* G 14 0.249 -13.329 15.735 149 H1* G 14 H1* G 14 0.770 -11.498 13.398 150 H8 G 14 H8 G 14 3.661 -9.389 14.328 151 H1 G 14 H1 G 14 4.796 -12.978 9.107 152 1H2 G 14 1H2 G 14 3.387 -14.805 9.227 153 2H2 G 14 2H2 G 14 1.758 -14.350 9.676 154 1H5* C 15 1H5* C 15 1.066 -15.093 16.006 155 2H5* C 15 2H5* C 15 1.394 -16.491 17.058 156 H4* C 15 H4* C 15 1.283 -17.357 14.833 157 H3* C 15 H3* C 15 4.150 -16.972 15.745 158 H2* C 15 H2* C 15 4.869 -17.880 13.690 159 2HO* C 15 2HO* C 15 2.920 -18.753 12.332 160 H1* C 15 H1* C 15 2.736 -16.835 12.172 161 1H4 C 15 1H4 C 15 7.847 -13.421 10.626 162 2H4 C 15 2H4 C 15 7.938 -12.734 12.236 163 H5 C 15 H5 C 15 6.062 -13.007 13.800 164 H6 C 15 H6 C 15 4.151 -14.367 14.360 165 2H ASP 2 2H ASP 2 9.839 -11.780 -2.171 166 1H ASP 2 1H ASP 2 9.729 -13.430 -1.792 167 3H ASP 2 3H ASP 2 11.168 -12.581 -1.479 168 HA ASP 2 HA ASP 2 10.163 -12.729 0.620 169 1HB ASP 2 1HB ASP 2 9.212 -10.115 -0.580 170 2HB ASP 2 2HB ASP 2 9.743 -10.401 1.075 171 H ALA 3 H ALA 3 7.972 -11.292 1.557 172 HA ALA 3 HA ALA 3 5.634 -12.700 0.310 173 1HB ALA 3 1HB ALA 3 6.441 -13.755 2.400 174 2HB ALA 3 2HB ALA 3 6.272 -12.211 3.236 175 3HB ALA 3 3HB ALA 3 4.842 -13.045 2.629 176 H GLN 4 H GLN 4 6.702 -9.943 2.283 177 HA GLN 4 HA GLN 4 4.161 -8.577 2.220 178 1HB GLN 4 1HB GLN 4 6.140 -8.254 3.805 179 2HB GLN 4 2HB GLN 4 6.939 -7.391 2.493 180 1HG GLN 4 1HG GLN 4 5.160 -5.747 2.413 181 2HG GLN 4 2HG GLN 4 4.218 -6.648 3.601 182 1HE2 GLN 4 2HE2 GLN 4 5.517 -3.853 3.684 183 2HE2 GLN 4 1HE2 GLN 4 6.415 -3.862 5.122 184 H THR 5 H THR 5 7.189 -8.038 0.407 185 HA THR 5 HA THR 5 6.268 -6.041 -1.369 186 HB THR 5 HB THR 5 8.091 -8.421 -1.891 187 HG1 THR 5 HG1 THR 5 9.705 -6.970 -1.273 188 1HG2 THR 5 1HG2 THR 5 7.402 -5.957 -3.422 189 2HG2 THR 5 2HG2 THR 5 9.081 -6.502 -3.453 190 3HG2 THR 5 3HG2 THR 5 7.795 -7.573 -4.011 191 H ARG 6 H ARG 6 5.783 -9.524 -1.331 192 HA ARG 6 HA ARG 6 4.404 -9.740 -3.880 193 1HB ARG 6 1HB ARG 6 5.201 -11.365 -1.621 194 2HB ARG 6 2HB ARG 6 3.511 -11.690 -2.023 195 1HG ARG 6 1HG ARG 6 4.237 -13.000 -3.713 196 2HG ARG 6 2HG ARG 6 4.854 -11.550 -4.503 197 1HD ARG 6 1HD ARG 6 6.852 -12.694 -4.342 198 2HD ARG 6 2HD ARG 6 6.854 -11.997 -2.709 199 HE ARG 6 HE ARG 6 6.370 -14.143 -1.854 200 1HH1 ARG 6 1HH1 ARG 6 5.650 -13.964 -5.245 201 2HH1 ARG 6 2HH1 ARG 6 5.278 -15.649 -5.375 202 1HH2 ARG 6 1HH2 ARG 6 5.885 -16.330 -2.035 203 2HH2 ARG 6 2HH2 ARG 6 5.410 -16.982 -3.567 204 H ARG 7 H ARG 7 3.458 -9.489 -0.470 205 HA ARG 7 HA ARG 7 0.660 -9.623 -0.799 206 1HB ARG 7 1HB ARG 7 1.650 -9.773 1.364 207 2HB ARG 7 2HB ARG 7 2.518 -8.256 1.151 208 1HG ARG 7 1HG ARG 7 0.107 -7.216 0.947 209 2HG ARG 7 2HG ARG 7 -0.391 -8.693 1.771 210 1HD ARG 7 1HD ARG 7 0.259 -7.791 3.738 211 2HD ARG 7 2HD ARG 7 1.918 -7.676 3.128 212 HE ARG 7 HE ARG 7 -0.086 -5.499 3.068 213 1HH1 ARG 7 1HH1 ARG 7 2.960 -6.758 1.979 214 2HH1 ARG 7 2HH1 ARG 7 3.551 -5.211 1.502 215 1HH2 ARG 7 1HH2 ARG 7 0.696 -3.503 2.444 216 2HH2 ARG 7 2HH2 ARG 7 2.281 -3.374 1.760 217 H ARG 8 H ARG 8 2.909 -6.935 -1.202 218 HA ARG 8 HA ARG 8 1.083 -4.749 -1.362 219 1HB ARG 8 1HB ARG 8 3.752 -5.070 -1.489 220 2HB ARG 8 2HB ARG 8 3.438 -4.970 -3.218 221 1HG ARG 8 1HG ARG 8 3.805 -2.727 -2.606 222 2HG ARG 8 2HG ARG 8 2.047 -2.858 -2.621 223 1HD ARG 8 1HD ARG 8 2.888 -1.704 -0.562 224 2HD ARG 8 2HD ARG 8 2.043 -3.215 -0.176 225 HE ARG 8 HE ARG 8 4.104 -4.125 0.519 226 1HH1 ARG 8 1HH1 ARG 8 4.599 -1.361 -1.513 227 2HH1 ARG 8 2HH1 ARG 8 6.315 -1.361 -1.291 228 1HH2 ARG 8 1HH2 ARG 8 6.334 -4.115 0.802 229 2HH2 ARG 8 2HH2 ARG 8 7.294 -2.909 0.012 230 H GLU 9 H GLU 9 2.092 -7.127 -3.792 231 HA GLU 9 HA GLU 9 0.673 -5.954 -5.995 232 1HB GLU 9 1HB GLU 9 1.359 -8.837 -5.298 233 2HB GLU 9 2HB GLU 9 0.815 -8.306 -6.890 234 1HG GLU 9 1HG GLU 9 2.928 -6.572 -6.206 235 2HG GLU 9 2HG GLU 9 3.472 -8.182 -5.740 236 H ARG 10 H ARG 10 -0.203 -7.943 -3.276 237 HA ARG 10 HA ARG 10 -2.931 -8.478 -4.150 238 1HB ARG 10 1HB ARG 10 -1.098 -9.128 -1.986 239 2HB ARG 10 2HB ARG 10 -2.678 -8.687 -1.343 240 1HG ARG 10 1HG ARG 10 -3.771 -10.370 -2.669 241 2HG ARG 10 2HG ARG 10 -2.295 -10.683 -3.583 242 1HD ARG 10 1HD ARG 10 -1.412 -12.009 -1.937 243 2HD ARG 10 2HD ARG 10 -2.032 -10.970 -0.639 244 HE ARG 10 HE ARG 10 -3.442 -13.234 -1.822 245 1HH1 ARG 10 1HH1 ARG 10 -3.754 -10.138 -0.279 246 2HH1 ARG 10 2HH1 ARG 10 -5.341 -10.470 0.327 247 1HH2 ARG 10 1HH2 ARG 10 -5.505 -13.652 -1.029 248 2HH2 ARG 10 2HH2 ARG 10 -6.327 -12.447 -0.095 249 H ARG 11 H ARG 11 -1.207 -5.829 -2.792 250 HA ARG 11 HA ARG 11 -3.646 -4.621 -1.609 251 1HB ARG 11 1HB ARG 11 -0.736 -3.775 -1.796 252 2HB ARG 11 2HB ARG 11 -1.990 -2.858 -0.971 253 1HG ARG 11 1HG ARG 11 -1.117 -5.679 -0.296 254 2HG ARG 11 2HG ARG 11 -0.759 -4.233 0.642 255 1HD ARG 11 1HD ARG 11 -2.776 -4.361 1.694 256 2HD ARG 11 2HD ARG 11 -3.622 -4.455 0.144 257 HE ARG 11 HE ARG 11 -2.273 -6.937 0.631 258 1HH1 ARG 11 1HH1 ARG 11 -4.981 -5.037 1.682 259 2HH1 ARG 11 2HH1 ARG 11 -5.910 -6.413 2.165 260 1HH2 ARG 11 1HH2 ARG 11 -3.489 -8.718 1.262 261 2HH2 ARG 11 2HH2 ARG 11 -5.071 -8.487 1.930 262 H ALA 12 H ALA 12 -2.429 -4.906 -4.695 263 HA ALA 12 HA ALA 12 -2.368 -2.255 -5.744 264 1HB ALA 12 1HB ALA 12 -1.895 -4.484 -6.901 265 2HB ALA 12 2HB ALA 12 -3.640 -4.710 -7.021 266 3HB ALA 12 3HB ALA 12 -2.865 -3.361 -7.852 267 H GLU 13 H GLU 13 -5.015 -4.243 -4.601 268 HA GLU 13 HA GLU 13 -7.135 -2.580 -5.726 269 1HB GLU 13 1HB GLU 13 -6.917 -4.802 -3.681 270 2HB GLU 13 2HB GLU 13 -8.451 -3.989 -3.990 271 1HG GLU 13 1HG GLU 13 -8.489 -4.694 -6.263 272 2HG GLU 13 2HG GLU 13 -6.794 -5.182 -6.218 273 H LYS 14 H LYS 14 -5.270 -2.782 -2.723 274 HA LYS 14 HA LYS 14 -6.903 -0.770 -1.335 275 1HB LYS 14 1HB LYS 14 -4.158 -1.989 -0.823 276 2HB LYS 14 2HB LYS 14 -5.058 -1.006 0.335 277 1HG LYS 14 1HG LYS 14 -6.272 -3.488 -0.865 278 2HG LYS 14 2HG LYS 14 -5.228 -3.573 0.556 279 1HD LYS 14 1HD LYS 14 -6.898 -1.524 1.255 280 2HD LYS 14 2HD LYS 14 -7.985 -2.541 0.307 281 1HE LYS 14 1HE LYS 14 -7.439 -4.486 1.698 282 2HE LYS 14 2HE LYS 14 -6.271 -3.520 2.620 283 1HZ LYS 14 1HZ LYS 14 -9.056 -2.593 2.295 284 2HZ LYS 14 2HZ LYS 14 -8.667 -3.708 3.512 285 3HZ LYS 14 3HZ LYS 14 -7.926 -2.179 3.495 286 H GLN 15 H GLN 15 -3.968 -1.005 -3.197 287 HA GLN 15 HA GLN 15 -3.019 1.701 -2.825 288 1HB GLN 15 1HB GLN 15 -2.349 -0.801 -4.169 289 2HB GLN 15 2HB GLN 15 -2.009 0.571 -5.207 290 1HG GLN 15 1HG GLN 15 -0.420 1.450 -3.755 291 2HG GLN 15 2HG GLN 15 -1.168 0.706 -2.342 292 1HE2 GLN 15 2HE2 GLN 15 -1.243 -1.906 -2.702 293 2HE2 GLN 15 1HE2 GLN 15 0.256 -2.573 -3.133 294 H ALA 16 H ALA 16 -4.665 -0.018 -5.484 295 HA ALA 16 HA ALA 16 -4.957 2.325 -7.150 296 1HB ALA 16 1HB ALA 16 -5.089 -0.118 -7.821 297 2HB ALA 16 2HB ALA 16 -6.671 -0.184 -7.045 298 3HB ALA 16 3HB ALA 16 -6.415 0.865 -8.440 299 H GLN 17 H GLN 17 -6.801 1.026 -4.441 300 HA GLN 17 HA GLN 17 -9.143 2.725 -4.981 301 1HB GLN 17 1HB GLN 17 -8.171 0.868 -2.813 302 2HB GLN 17 2HB GLN 17 -9.540 1.929 -2.495 303 1HG GLN 17 1HG GLN 17 -9.431 0.151 -4.936 304 2HG GLN 17 2HG GLN 17 -10.099 -0.406 -3.402 305 1HE2 GLN 17 2HE2 GLN 17 -11.373 0.380 -6.151 306 2HE2 GLN 17 1HE2 GLN 17 -12.639 1.418 -5.703 307 H TRP 18 H TRP 18 -6.231 2.739 -3.037 308 HA TRP 18 HA TRP 18 -6.831 5.207 -1.593 309 1HB TRP 18 1HB TRP 18 -5.317 3.489 -0.695 310 2HB TRP 18 2HB TRP 18 -4.325 3.578 -2.137 311 HD1 TRP 18 HD1 TRP 18 -4.961 5.398 1.127 312 HE1 TRP 18 HE1 TRP 18 -3.274 7.349 1.313 313 HE3 TRP 18 HE3 TRP 18 -2.937 5.250 -3.495 314 HZ2 TRP 18 HZ2 TRP 18 -1.307 8.645 -0.297 315 HZ3 TRP 18 HZ3 TRP 18 -1.175 6.808 -4.156 316 HH2 TRP 18 HH2 TRP 18 -0.349 8.494 -2.591 317 H LYS 19 H LYS 19 -4.733 4.230 -4.258 318 HA LYS 19 HA LYS 19 -3.600 6.754 -4.898 319 1HB LYS 19 1HB LYS 19 -4.212 4.229 -6.456 320 2HB LYS 19 2HB LYS 19 -3.385 5.595 -7.187 321 1HG LYS 19 1HG LYS 19 -1.674 5.479 -5.363 322 2HG LYS 19 2HG LYS 19 -2.446 4.000 -4.798 323 1HD LYS 19 1HD LYS 19 -1.913 2.828 -6.791 324 2HD LYS 19 2HD LYS 19 -1.519 4.315 -7.653 325 1HE LYS 19 1HE LYS 19 0.633 4.202 -6.954 326 2HE LYS 19 2HE LYS 19 0.116 4.070 -5.261 327 1HZ LYS 19 1HZ LYS 19 -0.472 1.716 -5.751 328 2HZ LYS 19 2HZ LYS 19 0.285 1.883 -7.263 329 3HZ LYS 19 3HZ LYS 19 1.191 2.039 -5.834 330 H ALA 20 H ALA 20 -6.618 5.177 -5.800 331 HA ALA 20 HA ALA 20 -7.437 6.968 -7.835 332 1HB ALA 20 1HB ALA 20 -8.620 4.998 -5.993 333 2HB ALA 20 2HB ALA 20 -9.750 6.214 -6.588 334 3HB ALA 20 3HB ALA 20 -8.868 5.196 -7.728 335 H ALA 21 H ALA 21 -7.497 7.203 -4.330 336 HA ALA 21 HA ALA 21 -8.714 9.922 -4.575 337 1HB ALA 21 1HB ALA 21 -9.606 7.691 -3.198 338 2HB ALA 21 2HB ALA 21 -8.778 8.618 -1.946 339 3HB ALA 21 3HB ALA 21 -10.099 9.349 -2.858 340 H ASN 22 H ASN 22 -5.884 9.047 -4.707 341 HA ASN 22 HA ASN 22 -4.822 11.047 -2.815 342 1HB ASN 22 1HB ASN 22 -4.055 8.117 -2.761 343 2HB ASN 22 2HB ASN 22 -3.157 9.390 -1.939 344 1HD2 ASN 22 2HD2 ASN 22 -5.488 7.105 -1.394 345 2HD2 ASN 22 1HD2 ASN 22 -6.305 7.827 -0.094 346 HA PRO 23 HA PRO 23 -2.598 10.392 -6.925 347 1HB PRO 23 1HB PRO 23 -3.471 12.676 -8.168 348 2HB PRO 23 2HB PRO 23 -4.302 11.116 -8.329 349 1HG PRO 23 1HG PRO 23 -4.975 13.448 -6.612 350 2HG PRO 23 2HG PRO 23 -6.046 12.350 -7.497 351 1HD PRO 23 1HD PRO 23 -5.590 12.172 -4.814 352 2HD PRO 23 2HD PRO 23 -6.028 10.779 -5.818 353 H LEU 24 H LEU 24 -3.398 13.059 -4.817 354 HA LEU 24 HA LEU 24 -1.253 14.854 -5.273 355 1HB LEU 24 1HB LEU 24 -2.037 15.817 -3.289 356 2HB LEU 24 2HB LEU 24 -3.417 14.812 -3.709 357 HG LEU 24 HG LEU 24 -1.200 13.815 -1.895 358 1HD1 LEU 24 1HD1 LEU 24 -3.554 15.563 -1.310 359 2HD1 LEU 24 2HD1 LEU 24 -3.101 14.333 -0.129 360 3HD1 LEU 24 3HD1 LEU 24 -1.942 15.577 -0.596 361 1HD2 LEU 24 1HD2 LEU 24 -3.256 12.453 -3.107 362 2HD2 LEU 24 2HD2 LEU 24 -2.518 11.965 -1.583 363 3HD2 LEU 24 3HD2 LEU 24 -4.005 12.916 -1.583 364 H LEU 25 H LEU 25 -1.432 11.856 -3.468 365 HA LEU 25 HA LEU 25 1.450 12.041 -2.727 366 1HB LEU 25 1HB LEU 25 -1.036 10.680 -1.742 367 2HB LEU 25 2HB LEU 25 0.509 9.876 -1.441 368 HG LEU 25 HG LEU 25 0.384 12.785 -0.826 369 1HD1 LEU 25 1HD1 LEU 25 -1.265 10.688 0.528 370 2HD1 LEU 25 2HD1 LEU 25 -0.484 11.907 1.534 371 3HD1 LEU 25 3HD1 LEU 25 -1.617 12.397 0.273 372 1HD2 LEU 25 1HD2 LEU 25 2.410 11.365 -0.490 373 2HD2 LEU 25 2HD2 LEU 25 1.832 12.078 1.016 374 3HD2 LEU 25 3HD2 LEU 25 1.500 10.384 0.658 375 H VAL 26 H VAL 26 0.442 11.559 -5.394 376 HA VAL 26 HA VAL 26 1.520 8.818 -5.846 377 HB VAL 26 HB VAL 26 -1.160 9.864 -6.100 378 1HG1 VAL 26 1HG1 VAL 26 0.141 8.922 -8.665 379 2HG1 VAL 26 2HG1 VAL 26 -1.602 8.885 -8.398 380 3HG1 VAL 26 3HG1 VAL 26 -0.742 10.424 -8.385 381 1HG2 VAL 26 1HG2 VAL 26 0.089 7.493 -5.491 382 2HG2 VAL 26 2HG2 VAL 26 -1.645 7.685 -5.744 383 3HG2 VAL 26 3HG2 VAL 26 -0.614 7.140 -7.070 384 H GLY 27 H GLY 27 3.267 9.046 -7.125 385 1HA GLY 27 1HA GLY 27 4.690 9.804 -8.817 386 2HA GLY 27 2HA GLY 27 3.233 10.223 -9.707 387 H VAL 28 H VAL 28 3.425 11.732 -6.676 388 HA VAL 28 HA VAL 28 3.660 14.008 -6.084 389 HB VAL 28 HB VAL 28 5.948 13.754 -8.066 390 1HG1 VAL 28 1HG1 VAL 28 5.325 15.577 -5.749 391 2HG1 VAL 28 2HG1 VAL 28 6.995 15.276 -6.230 392 3HG1 VAL 28 3HG1 VAL 28 5.866 16.000 -7.374 393 1HG2 VAL 28 1HG2 VAL 28 5.656 12.837 -5.194 394 2HG2 VAL 28 2HG2 VAL 28 6.118 11.870 -6.596 395 3HG2 VAL 28 3HG2 VAL 28 7.228 13.082 -5.955 396 H SER 29 H SER 29 3.819 16.304 -7.068 397 HA SER 29 HA SER 29 2.798 17.904 -8.473 398 1HB SER 29 1HB SER 29 4.652 16.297 -9.847 399 2HB SER 29 2HB SER 29 3.272 16.432 -10.933 400 HG SER 29 HG SER 29 4.213 18.284 -11.363 401 H ALA 30 H ALA 30 0.885 16.236 -7.404 402 HA ALA 30 HA ALA 30 -1.025 15.955 -9.684 403 1HB ALA 30 1HB ALA 30 0.127 13.907 -7.966 404 2HB ALA 30 2HB ALA 30 -1.629 13.941 -7.809 405 3HB ALA 30 3HB ALA 30 -0.891 13.708 -9.392 406 H LYS 31 H LYS 31 -0.833 18.141 -7.940 407 HA LYS 31 HA LYS 31 -3.524 18.345 -6.929 408 1HB LYS 31 1HB LYS 31 -2.936 18.357 -4.501 409 2HB LYS 31 2HB LYS 31 -2.631 16.790 -5.246 410 1HG LYS 31 1HG LYS 31 -0.387 16.941 -4.930 411 2HG LYS 31 2HG LYS 31 -0.344 18.641 -5.394 412 1HD LYS 31 1HD LYS 31 -0.458 19.342 -3.243 413 2HD LYS 31 2HD LYS 31 -1.733 18.188 -2.850 414 1HE LYS 31 1HE LYS 31 0.241 17.616 -1.536 415 2HE LYS 31 2HE LYS 31 0.053 16.380 -2.796 416 1HZ LYS 31 1HZ LYS 31 1.747 18.813 -3.010 417 2HZ LYS 31 2HZ LYS 31 2.324 17.241 -2.738 418 3HZ LYS 31 3HZ LYS 31 1.562 17.622 -4.208 419 HA PRO 32 HA PRO 32 -2.339 22.586 -6.977 420 1HB PRO 32 1HB PRO 32 -4.042 23.670 -5.130 421 2HB PRO 32 2HB PRO 32 -4.579 23.121 -6.731 422 1HG PRO 32 1HG PRO 32 -4.815 21.771 -4.090 423 2HG PRO 32 2HG PRO 32 -5.960 21.824 -5.438 424 1HD PRO 32 1HD PRO 32 -4.350 19.685 -4.902 425 2HD PRO 32 2HD PRO 32 -4.966 20.074 -6.522 426 H VAL 33 H VAL 33 -1.660 24.431 -5.365 427 HA VAL 33 HA VAL 33 0.351 23.348 -3.557 428 HB VAL 33 HB VAL 33 0.880 25.722 -3.233 429 1HG1 VAL 33 1HG1 VAL 33 1.084 24.384 -5.574 430 2HG1 VAL 33 2HG1 VAL 33 0.084 25.740 -6.098 431 3HG1 VAL 33 3HG1 VAL 33 1.660 26.037 -5.364 432 1HG2 VAL 33 1HG2 VAL 33 -1.932 26.013 -4.146 433 2HG2 VAL 33 2HG2 VAL 33 -1.007 27.003 -3.016 434 3HG2 VAL 33 3HG2 VAL 33 -0.800 27.221 -4.755 435 H ASN 34 H ASN 34 -2.966 24.292 -3.214 436 HA ASN 34 HA ASN 34 -4.358 24.474 -1.312 437 1HB ASN 34 1HB ASN 34 -2.628 22.309 -1.045 438 2HB ASN 34 2HB ASN 34 -2.436 23.166 0.483 439 1HD2 ASN 34 2HD2 ASN 34 -4.114 20.650 -0.641 440 2HD2 ASN 34 1HD2 ASN 34 -5.594 20.851 0.164 441 H ARG 35 H ARG 35 -4.155 25.200 1.177 442 HA ARG 35 HA ARG 35 -3.673 27.058 2.550 443 1HB ARG 35 1HB ARG 35 -1.535 26.783 3.397 444 2HB ARG 35 2HB ARG 35 -1.667 25.301 2.464 445 1HG ARG 35 1HG ARG 35 -0.312 26.140 0.715 446 2HG ARG 35 2HG ARG 35 -0.499 27.809 1.245 447 1HD ARG 35 1HD ARG 35 0.628 26.147 3.357 448 2HD ARG 35 2HD ARG 35 1.628 26.122 1.894 449 HE ARG 35 HE ARG 35 1.401 28.678 1.940 450 1HH1 ARG 35 1HH1 ARG 35 1.140 26.734 4.818 451 2HH1 ARG 35 2HH1 ARG 35 1.628 28.020 5.863 452 1HH2 ARG 35 1HH2 ARG 35 2.032 30.329 3.319 453 2HH2 ARG 35 2HH2 ARG 35 2.131 30.039 5.025 454 HA PRO 36 HA PRO 36 -2.954 30.790 0.328 455 1HB PRO 36 1HB PRO 36 -0.970 32.197 1.585 456 2HB PRO 36 2HB PRO 36 -2.593 31.994 2.272 457 1HG PRO 36 1HG PRO 36 -0.075 30.543 2.909 458 2HG PRO 36 2HG PRO 36 -1.358 31.106 3.993 459 1HD PRO 36 1HD PRO 36 -1.098 28.527 3.190 460 2HD PRO 36 2HD PRO 36 -2.660 29.257 3.619 Start of MODEL 10 1 1H5* G 1 1H5* G 1 12.252 -16.403 1.962 2 2H5* G 1 2H5* G 1 13.144 -17.939 2.061 3 H4* G 1 H4* G 1 10.873 -19.104 2.053 4 H3* G 1 H3* G 1 9.986 -16.233 2.509 5 H2* G 1 H2* G 1 8.352 -17.024 4.030 6 2HO* G 1 2HO* G 1 7.433 -18.898 3.816 7 H1* G 1 H1* G 1 9.972 -18.998 5.138 8 H8 G 1 H8 G 1 11.944 -15.821 4.747 9 H1 G 1 H1 G 1 7.761 -15.687 9.621 10 1H2 G 1 1H2 G 1 6.106 -17.285 9.103 11 2H2 G 1 2H2 G 1 6.880 -18.794 8.679 12 1H5* C 2 1H5* C 2 6.136 -16.752 1.018 13 2H5* C 2 2H5* C 2 7.237 -16.634 2.408 14 H4* C 2 H4* C 2 4.668 -18.103 2.816 15 H3* C 2 H3* C 2 4.869 -15.105 2.398 16 H2* C 2 H2* C 2 3.437 -14.740 4.230 17 2HO* C 2 2HO* C 2 2.229 -16.448 5.164 18 H1* C 2 H1* C 2 4.379 -16.831 5.817 19 1H4 C 2 1H4 C 2 7.144 -11.667 8.217 20 2H4 C 2 2H4 C 2 8.344 -11.680 6.948 21 H5 C 2 H5 C 2 7.969 -12.954 4.884 22 H6 C 2 H6 C 2 7.031 -15.074 4.074 23 1H5* C 3 1H5* C 3 0.063 -13.181 1.399 24 2H5* C 3 2H5* C 3 1.721 -12.848 1.944 25 H4* C 3 H4* C 3 -0.274 -14.312 3.680 26 H3* C 3 H3* C 3 0.213 -11.340 3.395 27 H2* C 3 H2* C 3 0.018 -11.079 5.724 28 2HO* C 3 2HO* C 3 -1.226 -12.265 6.908 29 H1* C 3 H1* C 3 1.314 -13.448 6.399 30 1H4 C 3 1H4 C 3 5.323 -8.430 6.834 31 2H4 C 3 2H4 C 3 6.199 -9.150 5.500 32 H5 C 3 H5 C 3 4.928 -10.532 3.888 33 H6 C 3 H6 C 3 3.199 -12.224 3.720 34 1H5* C 4 1H5* C 4 -3.897 -10.204 4.838 35 2H5* C 4 2H5* C 4 -2.127 -10.262 4.756 36 H4* C 4 H4* C 4 -3.654 -10.112 7.363 37 H3* C 4 H3* C 4 -2.682 -7.875 5.554 38 H2* C 4 H2* C 4 -1.919 -6.681 7.421 39 2HO* C 4 2HO* C 4 -4.016 -7.801 8.620 40 H1* C 4 H1* C 4 -1.076 -8.868 8.917 41 1H4 C 4 1H4 C 4 3.809 -6.014 5.773 42 2H4 C 4 2H4 C 4 4.252 -7.667 5.429 43 H5 C 4 H5 C 4 1.879 -8.595 4.544 44 H6 C 4 H6 C 4 -0.173 -9.305 5.481 45 1H5* U 5 1H5* U 5 -4.753 -6.017 8.514 46 2H5* U 5 2H5* U 5 -5.954 -4.859 7.901 47 H4* U 5 H4* U 5 -4.579 -3.669 9.439 48 H3* U 5 H3* U 5 -3.784 -3.079 6.571 49 H2* U 5 H2* U 5 -2.181 -1.561 7.405 50 2HO* U 5 2HO* U 5 -3.553 -1.688 9.901 51 H1* U 5 H1* U 5 -1.626 -3.024 9.749 52 H3 U 5 H3 U 5 2.262 -2.412 7.516 53 H5 U 5 H5 U 5 0.341 -5.462 5.402 54 H6 U 5 H6 U 5 -1.632 -4.986 6.677 55 1H5* G 6 1H5* G 6 -1.901 0.257 8.049 56 2H5* G 6 2H5* G 6 -3.190 1.472 8.208 57 H4* G 6 H4* G 6 -2.120 2.726 6.688 58 H3* G 6 H3* G 6 -2.702 0.344 4.902 59 H2* G 6 H2* G 6 -1.231 1.194 3.282 60 2HO* G 6 2HO* G 6 -1.256 3.251 2.920 61 H1* G 6 H1* G 6 0.654 2.243 5.057 62 H8 G 6 H8 G 6 -1.023 -1.248 5.235 63 H1 G 6 H1 G 6 4.968 -1.125 2.901 64 1H2 G 6 1H2 G 6 5.557 1.006 2.491 65 2H2 G 6 2H2 G 6 4.813 2.266 3.458 66 1H5* A 7 1H5* A 7 -4.633 1.901 0.682 67 2H5* A 7 2H5* A 7 -3.672 0.411 0.742 68 H4* A 7 H4* A 7 -2.844 1.800 -1.058 69 H3* A 7 H3* A 7 -1.035 1.810 1.383 70 H2* A 7 H2* A 7 0.456 3.207 0.183 71 2HO* A 7 2HO* A 7 0.806 2.842 -1.840 72 H1* A 7 H1* A 7 -1.531 4.548 -1.255 73 H8 A 7 H8 A 7 -2.543 4.807 2.287 74 1H6 A 7 1H6 A 7 1.908 8.996 3.165 75 2H6 A 7 2H6 A 7 0.279 8.574 3.643 76 H2 A 7 H2 A 7 2.460 7.214 -0.935 77 1H5* A 8 1H5* A 8 0.958 0.578 -1.593 78 2H5* A 8 2H5* A 8 2.247 -0.644 -1.669 79 H4* A 8 H4* A 8 3.249 1.494 -2.081 80 H3* A 8 H3* A 8 3.724 0.512 0.750 81 H2* A 8 H2* A 8 5.064 2.428 1.154 82 2HO* A 8 2HO* A 8 5.939 3.644 -0.428 83 H1* A 8 H1* A 8 3.445 4.180 -0.322 84 H8 A 8 H8 A 8 1.224 1.990 1.745 85 1H6 A 8 1H6 A 8 1.838 4.244 6.205 86 2H6 A 8 2H6 A 8 1.890 5.992 6.257 87 H2 A 8 H2 A 8 5.261 6.763 3.247 88 1H5* A 9 2H5* A 9 8.351 -1.144 -1.907 89 2H5* A 9 1H5* A 9 7.351 -0.143 -0.835 90 H4* A 9 H4* A 9 9.509 0.706 -2.423 91 H3* A 9 H3* A 9 7.290 2.193 -0.992 92 H2* A 9 H2* A 9 8.072 4.207 -1.957 93 2HO* A 9 2HO* A 9 10.078 4.209 -3.142 94 H1* A 9 H1* A 9 8.693 3.086 -4.440 95 H8 A 9 H8 A 9 6.288 4.579 -2.153 96 1H6 A 9 1H6 A 9 2.113 4.469 -4.909 97 2H6 A 9 2H6 A 9 2.173 4.672 -6.646 98 H2 A 9 H2 A 9 5.353 1.584 -7.750 99 1H5* A 10 1H5* A 10 9.911 1.288 4.082 100 2H5* A 10 2H5* A 10 8.243 1.625 3.577 101 H4* A 10 H4* A 10 10.160 3.920 3.741 102 H3* A 10 H3* A 10 8.992 2.423 6.088 103 H2* A 10 H2* A 10 8.398 4.430 7.154 104 2HO* A 10 2HO* A 10 10.358 5.539 6.848 105 H1* A 10 H1* A 10 7.640 5.823 4.865 106 H8 A 10 H8 A 10 6.055 2.762 4.032 107 1H6 A 10 1H6 A 10 1.671 3.719 7.518 108 2H6 A 10 2H6 A 10 2.547 2.382 8.228 109 H2 A 10 H2 A 10 5.353 6.275 9.357 110 1H5* A 11 1H5* A 11 9.978 4.713 8.651 111 2H5* A 11 2H5* A 11 10.709 3.782 9.979 112 H4* A 11 H4* A 11 8.382 4.678 10.438 113 H3* A 11 H3* A 11 8.967 1.710 10.551 114 H2* A 11 H2* A 11 6.710 1.274 11.084 115 2HO* A 11 2HO* A 11 5.481 2.629 12.141 116 H1* A 11 H1* A 11 5.588 3.230 9.477 117 H8 A 11 H8 A 11 8.330 1.471 7.588 118 1H6 A 11 1H6 A 11 4.466 -3.066 6.395 119 2H6 A 11 2H6 A 11 5.292 -1.931 5.354 120 H2 A 11 H2 A 11 2.343 -0.186 9.236 121 1H5* G 12 1H5* G 12 9.219 -1.214 13.368 122 2H5* G 12 2H5* G 12 9.010 -0.319 11.853 123 H4* G 12 H4* G 12 6.872 0.265 13.742 124 H3* G 12 H3* G 12 7.357 -2.622 12.996 125 H2* G 12 H2* G 12 5.035 -2.875 12.577 126 2HO* G 12 2HO* G 12 4.829 -0.969 14.473 127 H1* G 12 H1* G 12 4.659 -0.353 11.430 128 H8 G 12 H8 G 12 7.611 -1.182 9.639 129 H1 G 12 H1 G 12 2.966 -5.383 8.207 130 1H2 G 12 1H2 G 12 1.244 -5.083 9.593 131 2H2 G 12 2H2 G 12 1.555 -4.433 11.187 132 1H5* G 13 1H5* G 13 4.439 -3.060 15.850 133 2H5* G 13 2H5* G 13 4.944 -4.070 17.222 134 H4* G 13 H4* G 13 2.885 -4.971 16.419 135 H3* G 13 H3* G 13 5.275 -6.528 15.434 136 H2* G 13 H2* G 13 3.860 -7.960 14.254 137 2HO* G 13 2HO* G 13 1.590 -7.996 14.588 138 H1* G 13 H1* G 13 1.983 -6.057 13.490 139 H8 G 13 H8 G 13 5.417 -4.683 12.900 140 H1 G 13 H1 G 13 3.594 -8.995 8.496 141 1H2 G 13 1H2 G 13 1.932 -10.247 9.362 142 2H2 G 13 2H2 G 13 0.846 -9.466 10.489 143 1H5* G 14 1H5* G 14 3.616 -10.098 18.282 144 2H5* G 14 2H5* G 14 4.002 -9.215 16.797 145 H4* G 14 H4* G 14 1.541 -10.953 16.984 146 H3* G 14 H3* G 14 4.388 -11.804 16.413 147 H2* G 14 H2* G 14 3.617 -13.195 14.671 148 2HO* G 14 2HO* G 14 1.010 -13.015 14.665 149 H1* G 14 H1* G 14 1.622 -11.481 13.764 150 H8 G 14 H8 G 14 4.625 -9.387 14.420 151 H1 G 14 H1 G 14 5.129 -12.898 9.046 152 1H2 G 14 1H2 G 14 3.196 -14.126 8.850 153 2H2 G 14 2H2 G 14 2.665 -14.822 10.364 154 1H5* C 15 1H5* C 15 2.101 -14.998 16.465 155 2H5* C 15 2H5* C 15 2.580 -16.372 17.490 156 H4* C 15 H4* C 15 2.173 -17.258 15.296 157 H3* C 15 H3* C 15 5.134 -16.909 15.857 158 H2* C 15 H2* C 15 5.589 -17.850 13.745 159 2HO* C 15 2HO* C 15 4.384 -19.662 13.644 160 H1* C 15 H1* C 15 3.308 -16.789 12.475 161 1H4 C 15 1H4 C 15 8.310 -13.535 10.324 162 2H4 C 15 2H4 C 15 8.517 -12.743 11.874 163 H5 C 15 H5 C 15 6.847 -12.991 13.648 164 H6 C 15 H6 C 15 5.014 -14.325 14.451 165 2H ASP 2 2H ASP 2 9.915 -10.113 -1.287 166 1H ASP 2 1H ASP 2 9.706 -11.699 -1.852 167 3H ASP 2 3H ASP 2 11.171 -11.245 -1.122 168 HA ASP 2 HA ASP 2 10.057 -12.436 0.553 169 1HB ASP 2 1HB ASP 2 9.373 -9.509 0.943 170 2HB ASP 2 2HB ASP 2 9.762 -10.687 2.194 171 H ALA 3 H ALA 3 7.924 -11.531 2.113 172 HA ALA 3 HA ALA 3 5.618 -12.324 0.403 173 1HB ALA 3 1HB ALA 3 6.189 -13.594 2.458 174 2HB ALA 3 2HB ALA 3 5.965 -12.127 3.410 175 3HB ALA 3 3HB ALA 3 4.592 -12.855 2.578 176 H GLN 4 H GLN 4 6.780 -9.681 2.431 177 HA GLN 4 HA GLN 4 4.261 -8.234 2.469 178 1HB GLN 4 1HB GLN 4 6.250 -8.064 4.074 179 2HB GLN 4 2HB GLN 4 7.090 -7.182 2.802 180 1HG GLN 4 1HG GLN 4 4.418 -6.111 3.248 181 2HG GLN 4 2HG GLN 4 5.379 -6.085 4.723 182 1HE2 GLN 4 2HE2 GLN 4 4.717 -4.287 1.966 183 2HE2 GLN 4 1HE2 GLN 4 6.126 -3.342 1.922 184 H THR 5 H THR 5 7.336 -7.612 0.758 185 HA THR 5 HA THR 5 6.402 -5.603 -1.015 186 HB THR 5 HB THR 5 8.392 -7.879 -1.382 187 HG1 THR 5 HG1 THR 5 8.914 -6.464 0.281 188 1HG2 THR 5 1HG2 THR 5 7.855 -5.407 -3.037 189 2HG2 THR 5 2HG2 THR 5 9.383 -6.286 -3.111 190 3HG2 THR 5 3HG2 THR 5 7.881 -7.087 -3.574 191 H ARG 6 H ARG 6 5.988 -9.073 -0.953 192 HA ARG 6 HA ARG 6 4.836 -9.380 -3.599 193 1HB ARG 6 1HB ARG 6 5.425 -10.932 -1.196 194 2HB ARG 6 2HB ARG 6 3.859 -11.369 -1.892 195 1HG ARG 6 1HG ARG 6 5.370 -11.243 -4.151 196 2HG ARG 6 2HG ARG 6 6.597 -11.752 -2.990 197 1HD ARG 6 1HD ARG 6 3.956 -13.158 -2.898 198 2HD ARG 6 2HD ARG 6 5.064 -13.556 -4.225 199 HE ARG 6 HE ARG 6 5.486 -14.207 -1.426 200 1HH1 ARG 6 1HH1 ARG 6 7.036 -13.316 -4.401 201 2HH1 ARG 6 2HH1 ARG 6 8.539 -14.063 -3.979 202 1HH2 ARG 6 1HH2 ARG 6 7.444 -15.174 -0.887 203 2HH2 ARG 6 2HH2 ARG 6 8.770 -15.110 -2.000 204 H ARG 7 H ARG 7 3.548 -9.136 -0.272 205 HA ARG 7 HA ARG 7 0.816 -9.370 -0.987 206 1HB ARG 7 1HB ARG 7 1.551 -9.537 1.307 207 2HB ARG 7 2HB ARG 7 2.251 -7.917 1.257 208 1HG ARG 7 1HG ARG 7 -0.088 -7.031 0.803 209 2HG ARG 7 2HG ARG 7 -0.690 -8.652 1.146 210 1HD ARG 7 1HD ARG 7 -0.256 -8.475 3.399 211 2HD ARG 7 2HD ARG 7 1.144 -7.418 3.159 212 HE ARG 7 HE ARG 7 -0.330 -5.567 3.154 213 1HH1 ARG 7 1HH1 ARG 7 -2.061 -8.533 2.690 214 2HH1 ARG 7 2HH1 ARG 7 -3.609 -7.772 2.798 215 1HH2 ARG 7 2HH2 ARG 7 -2.310 -4.592 3.301 216 2HH2 ARG 7 1HH2 ARG 7 -3.751 -5.534 3.139 217 H ARG 8 H ARG 8 3.031 -6.639 -1.019 218 HA ARG 8 HA ARG 8 1.243 -4.464 -1.329 219 1HB ARG 8 1HB ARG 8 3.964 -4.927 -1.344 220 2HB ARG 8 2HB ARG 8 3.681 -4.510 -3.027 221 1HG ARG 8 1HG ARG 8 4.237 -2.532 -1.599 222 2HG ARG 8 2HG ARG 8 2.676 -2.396 -2.400 223 1HD ARG 8 1HD ARG 8 2.932 -1.845 0.204 224 2HD ARG 8 2HD ARG 8 1.484 -2.657 -0.410 225 HE ARG 8 HE ARG 8 3.655 -4.492 0.300 226 1HH1 ARG 8 1HH1 ARG 8 0.850 -2.774 1.390 227 2HH1 ARG 8 2HH1 ARG 8 0.533 -3.876 2.679 228 1HH2 ARG 8 1HH2 ARG 8 3.231 -5.917 1.968 229 2HH2 ARG 8 2HH2 ARG 8 1.876 -5.645 3.011 230 H GLU 9 H GLU 9 2.508 -6.754 -3.716 231 HA GLU 9 HA GLU 9 1.273 -5.543 -6.010 232 1HB GLU 9 1HB GLU 9 1.898 -8.455 -5.377 233 2HB GLU 9 2HB GLU 9 1.619 -7.805 -6.993 234 1HG GLU 9 1HG GLU 9 3.653 -6.299 -5.522 235 2HG GLU 9 2HG GLU 9 4.087 -7.996 -5.725 236 H ARG 10 H ARG 10 0.192 -7.682 -3.473 237 HA ARG 10 HA ARG 10 -2.436 -8.177 -4.639 238 1HB ARG 10 1HB ARG 10 -0.795 -9.060 -2.441 239 2HB ARG 10 2HB ARG 10 -2.370 -8.573 -1.816 240 1HG ARG 10 1HG ARG 10 -3.436 -10.316 -2.808 241 2HG ARG 10 2HG ARG 10 -2.506 -10.155 -4.298 242 1HD ARG 10 1HD ARG 10 -0.523 -11.132 -2.931 243 2HD ARG 10 2HD ARG 10 -1.769 -11.658 -1.782 244 HE ARG 10 HE ARG 10 -1.360 -12.740 -4.461 245 1HH1 ARG 10 1HH1 ARG 10 -3.674 -12.073 -1.956 246 2HH1 ARG 10 2HH1 ARG 10 -4.768 -13.307 -2.478 247 1HH2 ARG 10 1HH2 ARG 10 -2.791 -14.340 -5.126 248 2HH2 ARG 10 2HH2 ARG 10 -4.272 -14.584 -4.263 249 H ARG 11 H ARG 11 -0.873 -5.606 -2.993 250 HA ARG 11 HA ARG 11 -3.418 -4.517 -1.924 251 1HB ARG 11 1HB ARG 11 -0.520 -3.623 -1.828 252 2HB ARG 11 2HB ARG 11 -1.855 -2.758 -1.066 253 1HG ARG 11 1HG ARG 11 -0.945 -5.586 -0.436 254 2HG ARG 11 2HG ARG 11 -0.784 -4.188 0.609 255 1HD ARG 11 1HD ARG 11 -2.871 -4.528 1.418 256 2HD ARG 11 2HD ARG 11 -3.550 -4.469 -0.212 257 HE ARG 11 HE ARG 11 -2.124 -6.957 0.319 258 1HH1 ARG 11 1HH1 ARG 11 -5.141 -5.262 0.624 259 2HH1 ARG 11 2HH1 ARG 11 -6.082 -6.711 0.682 260 1HH2 ARG 11 1HH2 ARG 11 -3.359 -8.830 0.397 261 2HH2 ARG 11 2HH2 ARG 11 -5.081 -8.721 0.555 262 H ALA 12 H ALA 12 -1.965 -4.596 -4.915 263 HA ALA 12 HA ALA 12 -1.919 -1.892 -5.815 264 1HB ALA 12 1HB ALA 12 -1.241 -3.933 -7.103 265 2HB ALA 12 2HB ALA 12 -2.939 -4.393 -7.232 266 3HB ALA 12 3HB ALA 12 -2.361 -2.926 -8.022 267 H GLU 13 H GLU 13 -4.562 -4.027 -4.965 268 HA GLU 13 HA GLU 13 -6.679 -2.410 -6.141 269 1HB GLU 13 1HB GLU 13 -6.606 -4.553 -3.986 270 2HB GLU 13 2HB GLU 13 -8.087 -3.922 -4.706 271 1HG GLU 13 1HG GLU 13 -7.512 -4.776 -6.865 272 2HG GLU 13 2HG GLU 13 -5.862 -5.137 -6.357 273 H LYS 14 H LYS 14 -5.014 -2.650 -3.018 274 HA LYS 14 HA LYS 14 -6.771 -0.725 -1.677 275 1HB LYS 14 1HB LYS 14 -4.016 -1.898 -1.115 276 2HB LYS 14 2HB LYS 14 -4.892 -0.870 0.023 277 1HG LYS 14 1HG LYS 14 -6.086 -3.401 -1.121 278 2HG LYS 14 2HG LYS 14 -5.143 -3.386 0.370 279 1HD LYS 14 1HD LYS 14 -6.763 -2.268 1.551 280 2HD LYS 14 2HD LYS 14 -7.313 -1.362 0.141 281 1HE LYS 14 1HE LYS 14 -8.006 -3.880 -0.622 282 2HE LYS 14 2HE LYS 14 -8.207 -4.009 1.137 283 1HZ LYS 14 1HZ LYS 14 -9.230 -1.712 -0.434 284 2HZ LYS 14 2HZ LYS 14 -10.175 -3.081 -0.103 285 3HZ LYS 14 3HZ LYS 14 -9.597 -2.121 1.174 286 H GLN 15 H GLN 15 -3.686 -0.795 -3.320 287 HA GLN 15 HA GLN 15 -2.854 1.912 -2.907 288 1HB GLN 15 1HB GLN 15 -2.153 -0.512 -4.393 289 2HB GLN 15 2HB GLN 15 -1.800 0.934 -5.322 290 1HG GLN 15 1HG GLN 15 -0.219 1.686 -3.803 291 2HG GLN 15 2HG GLN 15 -1.009 0.884 -2.444 292 1HE2 GLN 15 2HE2 GLN 15 -0.960 -1.621 -2.582 293 2HE2 GLN 15 1HE2 GLN 15 0.474 -2.326 -3.161 294 H ALA 16 H ALA 16 -4.410 0.290 -5.691 295 HA ALA 16 HA ALA 16 -4.777 2.684 -7.244 296 1HB ALA 16 1HB ALA 16 -6.297 0.049 -7.150 297 2HB ALA 16 2HB ALA 16 -6.418 1.228 -8.457 298 3HB ALA 16 3HB ALA 16 -4.891 0.399 -8.153 299 H GLN 17 H GLN 17 -6.547 1.291 -4.551 300 HA GLN 17 HA GLN 17 -8.950 2.928 -4.969 301 1HB GLN 17 1HB GLN 17 -7.843 0.986 -2.973 302 2HB GLN 17 2HB GLN 17 -9.100 2.088 -2.412 303 1HG GLN 17 1HG GLN 17 -10.339 1.346 -4.602 304 2HG GLN 17 2HG GLN 17 -9.261 -0.044 -4.520 305 1HE2 GLN 17 2HE2 GLN 17 -12.253 0.111 -4.018 306 2HE2 GLN 17 1HE2 GLN 17 -12.465 -0.525 -2.459 307 H TRP 18 H TRP 18 -6.011 2.979 -3.054 308 HA TRP 18 HA TRP 18 -6.641 5.422 -1.590 309 1HB TRP 18 1HB TRP 18 -5.103 3.737 -0.715 310 2HB TRP 18 2HB TRP 18 -4.127 3.822 -2.167 311 HD1 TRP 18 HD1 TRP 18 -4.728 5.644 1.104 312 HE1 TRP 18 HE1 TRP 18 -3.030 7.589 1.279 313 HE3 TRP 18 HE3 TRP 18 -2.737 5.489 -3.536 314 HZ2 TRP 18 HZ2 TRP 18 -1.066 8.875 -0.347 315 HZ3 TRP 18 HZ3 TRP 18 -0.975 7.036 -4.201 316 HH2 TRP 18 HH2 TRP 18 -0.122 8.709 -2.642 317 H LYS 19 H LYS 19 -4.554 4.520 -4.292 318 HA LYS 19 HA LYS 19 -3.473 7.072 -4.913 319 1HB LYS 19 1HB LYS 19 -4.081 4.564 -6.502 320 2HB LYS 19 2HB LYS 19 -3.302 5.961 -7.233 321 1HG LYS 19 1HG LYS 19 -1.610 5.818 -5.310 322 2HG LYS 19 2HG LYS 19 -2.257 4.207 -5.022 323 1HD LYS 19 1HD LYS 19 -1.897 4.041 -7.681 324 2HD LYS 19 2HD LYS 19 -0.642 5.222 -7.307 325 1HE LYS 19 1HE LYS 19 0.182 3.638 -5.499 326 2HE LYS 19 2HE LYS 19 -0.933 2.429 -6.165 327 1HZ LYS 19 1HZ LYS 19 1.023 3.926 -7.818 328 2HZ LYS 19 2HZ LYS 19 1.348 2.393 -7.160 329 3HZ LYS 19 3HZ LYS 19 0.090 2.584 -8.282 330 H ALA 20 H ALA 20 -6.480 5.449 -5.778 331 HA ALA 20 HA ALA 20 -7.384 7.247 -7.770 332 1HB ALA 20 1HB ALA 20 -8.568 5.319 -5.832 333 2HB ALA 20 2HB ALA 20 -9.670 6.428 -6.646 334 3HB ALA 20 3HB ALA 20 -8.664 5.330 -7.593 335 H ALA 21 H ALA 21 -7.316 7.463 -4.270 336 HA ALA 21 HA ALA 21 -8.612 10.150 -4.452 337 1HB ALA 21 1HB ALA 21 -9.475 7.909 -3.110 338 2HB ALA 21 2HB ALA 21 -8.582 8.762 -1.851 339 3HB ALA 21 3HB ALA 21 -9.923 9.559 -2.674 340 H ASN 22 H ASN 22 -5.774 9.300 -4.650 341 HA ASN 22 HA ASN 22 -4.677 11.311 -2.794 342 1HB ASN 22 1HB ASN 22 -3.873 8.388 -2.738 343 2HB ASN 22 2HB ASN 22 -3.005 9.680 -1.911 344 1HD2 ASN 22 2HD2 ASN 22 -5.267 7.336 -1.375 345 2HD2 ASN 22 1HD2 ASN 22 -6.104 8.027 -0.071 346 HA PRO 23 HA PRO 23 -2.542 10.569 -6.940 347 1HB PRO 23 1HB PRO 23 -3.466 12.799 -8.239 348 2HB PRO 23 2HB PRO 23 -4.286 11.226 -8.331 349 1HG PRO 23 1HG PRO 23 -4.946 13.609 -6.680 350 2HG PRO 23 2HG PRO 23 -6.024 12.469 -7.503 351 1HD PRO 23 1HD PRO 23 -5.500 12.390 -4.825 352 2HD PRO 23 2HD PRO 23 -5.955 10.963 -5.770 353 H LEU 24 H LEU 24 -3.313 13.256 -4.857 354 HA LEU 24 HA LEU 24 -1.216 15.077 -5.442 355 1HB LEU 24 1HB LEU 24 -1.947 16.073 -3.453 356 2HB LEU 24 2HB LEU 24 -3.317 15.017 -3.772 357 HG LEU 24 HG LEU 24 -0.980 14.138 -2.048 358 1HD1 LEU 24 1HD1 LEU 24 -3.507 15.604 -1.268 359 2HD1 LEU 24 2HD1 LEU 24 -2.520 14.700 -0.119 360 3HD1 LEU 24 3HD1 LEU 24 -1.841 16.093 -0.962 361 1HD2 LEU 24 1HD2 LEU 24 -3.116 12.718 -3.110 362 2HD2 LEU 24 2HD2 LEU 24 -2.194 12.235 -1.688 363 3HD2 LEU 24 3HD2 LEU 24 -3.698 13.140 -1.503 364 H LEU 25 H LEU 25 -1.298 12.116 -3.567 365 HA LEU 25 HA LEU 25 1.605 12.326 -2.930 366 1HB LEU 25 1HB LEU 25 -0.816 10.845 -1.925 367 2HB LEU 25 2HB LEU 25 0.778 10.136 -1.645 368 HG LEU 25 HG LEU 25 0.533 13.024 -1.013 369 1HD1 LEU 25 1HD1 LEU 25 -1.293 11.021 0.097 370 2HD1 LEU 25 2HD1 LEU 25 -0.334 11.823 1.340 371 3HD1 LEU 25 3HD1 LEU 25 -1.332 12.778 0.245 372 1HD2 LEU 25 1HD2 LEU 25 2.575 11.605 -0.638 373 2HD2 LEU 25 2HD2 LEU 25 1.980 12.377 0.832 374 3HD2 LEU 25 3HD2 LEU 25 1.654 10.669 0.539 375 H VAL 26 H VAL 26 0.520 11.912 -5.562 376 HA VAL 26 HA VAL 26 1.786 9.323 -6.249 377 HB VAL 26 HB VAL 26 -1.061 9.993 -6.097 378 1HG1 VAL 26 1HG1 VAL 26 0.054 9.112 -8.770 379 2HG1 VAL 26 2HG1 VAL 26 -1.619 8.826 -8.290 380 3HG1 VAL 26 3HG1 VAL 26 -1.012 10.478 -8.429 381 1HG2 VAL 26 1HG2 VAL 26 0.260 7.950 -5.256 382 2HG2 VAL 26 2HG2 VAL 26 -1.301 7.639 -6.017 383 3HG2 VAL 26 3HG2 VAL 26 0.192 7.368 -6.920 384 H GLY 27 H GLY 27 3.041 9.659 -8.069 385 1HA GLY 27 1HA GLY 27 3.904 10.712 -9.987 386 2HA GLY 27 2HA GLY 27 2.243 11.203 -10.334 387 H VAL 28 H VAL 28 1.534 13.263 -9.674 388 HA VAL 28 HA VAL 28 1.944 15.610 -9.426 389 HB VAL 28 HB VAL 28 2.336 16.054 -7.093 390 1HG1 VAL 28 1HG1 VAL 28 0.512 14.123 -8.016 391 2HG1 VAL 28 2HG1 VAL 28 1.177 13.468 -6.520 392 3HG1 VAL 28 3HG1 VAL 28 0.411 15.055 -6.524 393 1HG2 VAL 28 1HG2 VAL 28 4.443 14.614 -7.010 394 2HG2 VAL 28 2HG2 VAL 28 3.399 14.517 -5.590 395 3HG2 VAL 28 3HG2 VAL 28 3.376 13.224 -6.788 396 H SER 29 H SER 29 3.999 16.778 -7.814 397 HA SER 29 HA SER 29 6.250 16.632 -9.727 398 1HB SER 29 1HB SER 29 5.004 18.595 -7.987 399 2HB SER 29 2HB SER 29 6.741 18.535 -7.705 400 HG SER 29 HG SER 29 7.011 19.474 -9.557 401 H ALA 30 H ALA 30 6.000 14.339 -8.211 402 HA ALA 30 HA ALA 30 8.391 14.497 -6.419 403 1HB ALA 30 1HB ALA 30 6.163 14.481 -5.203 404 2HB ALA 30 2HB ALA 30 5.856 12.897 -5.916 405 3HB ALA 30 3HB ALA 30 7.209 13.118 -4.804 406 H LYS 31 H LYS 31 8.599 13.732 -9.049 407 HA LYS 31 HA LYS 31 9.330 10.879 -8.806 408 1HB LYS 31 1HB LYS 31 7.972 10.359 -10.871 409 2HB LYS 31 2HB LYS 31 6.996 10.772 -9.462 410 1HG LYS 31 1HG LYS 31 6.054 12.476 -10.593 411 2HG LYS 31 2HG LYS 31 7.643 13.200 -10.839 412 1HD LYS 31 1HD LYS 31 7.840 12.381 -12.965 413 2HD LYS 31 2HD LYS 31 7.010 10.875 -12.569 414 1HE LYS 31 1HE LYS 31 4.953 12.641 -12.283 415 2HE LYS 31 2HE LYS 31 5.886 13.429 -13.571 416 1HZ LYS 31 1HZ LYS 31 5.165 10.546 -13.540 417 2HZ LYS 31 2HZ LYS 31 4.327 11.732 -14.423 418 3HZ LYS 31 3HZ LYS 31 5.948 11.380 -14.793 419 HA PRO 32 HA PRO 32 12.303 13.253 -11.331 420 1HB PRO 32 1HB PRO 32 14.468 11.719 -10.652 421 2HB PRO 32 2HB PRO 32 13.877 13.058 -9.648 422 1HG PRO 32 1HG PRO 32 13.446 10.128 -9.338 423 2HG PRO 32 2HG PRO 32 13.745 11.362 -8.104 424 1HD PRO 32 1HD PRO 32 11.276 10.349 -8.631 425 2HD PRO 32 2HD PRO 32 11.543 11.994 -8.014 426 H VAL 33 H VAL 33 13.168 12.685 -13.381 427 HA VAL 33 HA VAL 33 12.056 10.386 -14.700 428 HB VAL 33 HB VAL 33 12.634 12.532 -15.782 429 1HG1 VAL 33 1HG1 VAL 33 14.878 12.534 -14.315 430 2HG1 VAL 33 2HG1 VAL 33 15.535 11.831 -15.792 431 3HG1 VAL 33 3HG1 VAL 33 14.761 13.416 -15.837 432 1HG2 VAL 33 1HG2 VAL 33 12.790 10.132 -16.914 433 2HG2 VAL 33 2HG2 VAL 33 13.266 11.581 -17.800 434 3HG2 VAL 33 3HG2 VAL 33 14.494 10.559 -17.053 435 H ASN 34 H ASN 34 15.152 10.982 -13.125 436 HA ASN 34 HA ASN 34 16.989 9.552 -12.707 437 1HB ASN 34 1HB ASN 34 14.466 7.976 -12.611 438 2HB ASN 34 2HB ASN 34 15.965 7.047 -12.638 439 1HD2 ASN 34 2HD2 ASN 34 14.357 7.026 -10.307 440 2HD2 ASN 34 1HD2 ASN 34 15.158 7.871 -9.072 441 H ARG 35 H ARG 35 17.249 10.277 -15.262 442 HA ARG 35 HA ARG 35 17.253 7.858 -16.987 443 1HB ARG 35 1HB ARG 35 17.104 10.766 -17.292 444 2HB ARG 35 2HB ARG 35 18.228 10.024 -18.432 445 1HG ARG 35 1HG ARG 35 16.516 8.507 -19.228 446 2HG ARG 35 2HG ARG 35 15.393 9.054 -17.982 447 1HD ARG 35 1HD ARG 35 15.653 11.406 -19.004 448 2HD ARG 35 2HD ARG 35 16.390 10.585 -20.394 449 HE ARG 35 HE ARG 35 14.023 9.169 -19.758 450 1HH1 ARG 35 1HH1 ARG 35 14.999 12.313 -20.857 451 2HH1 ARG 35 2HH1 ARG 35 13.538 12.585 -21.743 452 1HH2 ARG 35 1HH2 ARG 35 12.128 9.533 -20.912 453 2HH2 ARG 35 2HH2 ARG 35 11.920 11.021 -21.775 454 HA PRO 36 HA PRO 36 21.857 8.982 -17.167 455 1HB PRO 36 1HB PRO 36 22.808 11.122 -15.759 456 2HB PRO 36 2HB PRO 36 22.171 11.260 -17.409 457 1HG PRO 36 1HG PRO 36 20.900 11.964 -14.825 458 2HG PRO 36 2HG PRO 36 20.754 12.742 -16.408 459 1HD PRO 36 1HD PRO 36 18.876 11.054 -15.300 460 2HD PRO 36 2HD PRO 36 19.029 11.408 -17.033 Start of MODEL 11 1 1H5* G 1 1H5* G 1 11.756 -15.421 1.468 2 2H5* G 1 2H5* G 1 13.063 -15.996 2.528 3 H4* G 1 H4* G 1 11.289 -18.172 2.263 4 H3* G 1 H3* G 1 9.831 -15.532 2.612 5 H2* G 1 H2* G 1 8.482 -16.497 4.296 6 2HO* G 1 2HO* G 1 8.953 -18.778 2.867 7 H1* G 1 H1* G 1 10.465 -18.085 5.426 8 H8 G 1 H8 G 1 11.866 -14.683 4.729 9 H1 G 1 H1 G 1 7.946 -14.830 9.817 10 1H2 G 1 1H2 G 1 6.742 -16.694 9.781 11 2H2 G 1 2H2 G 1 7.261 -18.067 8.830 12 1H5* C 2 1H5* C 2 6.486 -19.064 3.311 13 2H5* C 2 2H5* C 2 5.756 -18.613 1.753 14 H4* C 2 H4* C 2 4.044 -18.664 3.506 15 H3* C 2 H3* C 2 4.813 -15.891 2.526 16 H2* C 2 H2* C 2 3.215 -14.964 3.984 17 2HO* C 2 2HO* C 2 1.395 -16.086 3.722 18 H1* C 2 H1* C 2 3.560 -16.846 6.045 19 1H4 C 2 1H4 C 2 6.651 -11.829 8.312 20 2H4 C 2 2H4 C 2 7.697 -11.745 6.914 21 H5 C 2 H5 C 2 7.369 -13.172 4.964 22 H6 C 2 H6 C 2 6.428 -15.335 4.263 23 1H5* C 3 1H5* C 3 0.327 -14.191 1.270 24 2H5* C 3 2H5* C 3 1.351 -12.815 1.722 25 H4* C 3 H4* C 3 -0.440 -14.508 3.411 26 H3* C 3 H3* C 3 0.382 -11.609 3.197 27 H2* C 3 H2* C 3 -0.025 -11.266 5.470 28 2HO* C 3 2HO* C 3 -1.316 -12.467 6.711 29 H1* C 3 H1* C 3 0.879 -13.734 6.370 30 1H4 C 3 1H4 C 3 5.717 -9.703 7.342 31 2H4 C 3 2H4 C 3 6.128 -9.752 5.643 32 H5 C 3 H5 C 3 5.113 -11.470 4.213 33 H6 C 3 H6 C 3 3.181 -12.872 3.884 34 1H5* C 4 1H5* C 4 -3.921 -10.169 4.162 35 2H5* C 4 2H5* C 4 -2.159 -10.373 4.148 36 H4* C 4 H4* C 4 -3.769 -10.066 6.693 37 H3* C 4 H3* C 4 -2.483 -7.972 4.916 38 H2* C 4 H2* C 4 -1.785 -6.798 6.829 39 2HO* C 4 2HO* C 4 -2.584 -7.671 8.961 40 H1* C 4 H1* C 4 -1.192 -9.036 8.365 41 1H4 C 4 1H4 C 4 4.319 -6.871 6.044 42 2H4 C 4 2H4 C 4 3.994 -7.628 4.508 43 H5 C 4 H5 C 4 2.047 -9.017 4.185 44 H6 C 4 H6 C 4 -0.118 -9.543 4.996 45 1H5* U 5 1H5* U 5 -4.670 -6.162 7.716 46 2H5* U 5 2H5* U 5 -5.755 -4.846 7.226 47 H4* U 5 H4* U 5 -4.355 -4.025 9.003 48 H3* U 5 H3* U 5 -3.503 -3.016 6.268 49 H2* U 5 H2* U 5 -1.832 -1.741 7.326 50 2HO* U 5 2HO* U 5 -3.009 -0.740 8.938 51 H1* U 5 H1* U 5 -1.369 -3.577 9.416 52 H3 U 5 H3 U 5 2.504 -2.686 7.161 53 H5 U 5 H5 U 5 0.604 -5.677 4.947 54 H6 U 5 H6 U 5 -1.371 -5.243 6.229 55 1H5* G 6 1H5* G 6 -1.532 0.100 8.139 56 2H5* G 6 2H5* G 6 -2.793 1.352 8.219 57 H4* G 6 H4* G 6 -1.482 2.551 6.825 58 H3* G 6 H3* G 6 -2.344 0.340 4.919 59 H2* G 6 H2* G 6 -0.847 1.177 3.328 60 2HO* G 6 2HO* G 6 -0.394 3.239 3.136 61 H1* G 6 H1* G 6 1.111 2.023 5.169 62 H8 G 6 H8 G 6 -0.603 -1.453 5.040 63 H1 G 6 H1 G 6 5.220 -1.059 2.337 64 1H2 G 6 1H2 G 6 5.818 1.106 2.186 65 2H2 G 6 2H2 G 6 5.095 2.254 3.295 66 1H5* A 7 1H5* A 7 -4.386 1.634 0.995 67 2H5* A 7 2H5* A 7 -3.340 0.201 0.952 68 H4* A 7 H4* A 7 -2.714 1.689 -0.851 69 H3* A 7 H3* A 7 -0.739 1.733 1.457 70 H2* A 7 H2* A 7 0.585 3.247 0.192 71 2HO* A 7 2HO* A 7 0.824 2.818 -1.835 72 H1* A 7 H1* A 7 -1.571 4.516 -1.042 73 H8 A 7 H8 A 7 -2.324 4.572 2.575 74 1H6 A 7 1H6 A 7 1.830 9.126 3.233 75 2H6 A 7 2H6 A 7 0.457 8.322 3.964 76 H2 A 7 H2 A 7 2.285 7.408 -0.886 77 1H5* A 8 1H5* A 8 1.122 0.808 -1.638 78 2H5* A 8 2H5* A 8 2.468 -0.330 -1.884 79 H4* A 8 H4* A 8 3.350 1.871 -2.213 80 H3* A 8 H3* A 8 3.983 0.753 0.541 81 H2* A 8 H2* A 8 5.236 2.698 1.040 82 2HO* A 8 2HO* A 8 4.971 3.936 -1.411 83 H1* A 8 H1* A 8 3.475 4.460 -0.257 84 H8 A 8 H8 A 8 1.384 2.052 1.652 85 1H6 A 8 1H6 A 8 2.563 5.386 6.747 86 2H6 A 8 2H6 A 8 1.560 4.133 6.053 87 H2 A 8 H2 A 8 5.364 6.742 3.520 88 1H5* A 9 2H5* A 9 8.555 -0.598 -2.353 89 2H5* A 9 1H5* A 9 7.553 0.297 -1.191 90 H4* A 9 H4* A 9 9.626 1.342 -2.745 91 H3* A 9 H3* A 9 7.310 2.634 -1.280 92 H2* A 9 H2* A 9 7.993 4.733 -2.135 93 2HO* A 9 2HO* A 9 10.406 3.709 -1.982 94 H1* A 9 H1* A 9 8.663 3.761 -4.667 95 H8 A 9 H8 A 9 6.237 5.047 -2.316 96 1H6 A 9 1H6 A 9 2.376 5.701 -5.831 97 2H6 A 9 2H6 A 9 1.625 4.121 -5.823 98 H2 A 9 H2 A 9 5.313 2.175 -7.980 99 1H5* A 10 1H5* A 10 10.239 1.423 3.668 100 2H5* A 10 2H5* A 10 8.527 1.723 3.300 101 H4* A 10 H4* A 10 10.352 4.067 3.722 102 H3* A 10 H3* A 10 9.266 2.238 5.867 103 H2* A 10 H2* A 10 8.621 4.077 7.175 104 2HO* A 10 2HO* A 10 10.499 5.468 5.613 105 H1* A 10 H1* A 10 7.788 5.721 5.084 106 H8 A 10 H8 A 10 6.319 2.687 3.930 107 1H6 A 10 1H6 A 10 2.270 2.550 6.902 108 2H6 A 10 2H6 A 10 2.460 2.382 8.634 109 H2 A 10 H2 A 10 5.432 5.731 9.521 110 1H5* A 11 1H5* A 11 10.417 4.288 8.741 111 2H5* A 11 2H5* A 11 11.078 3.141 9.929 112 H4* A 11 H4* A 11 8.754 4.149 10.410 113 H3* A 11 H3* A 11 9.315 1.175 10.408 114 H2* A 11 H2* A 11 7.052 0.739 10.912 115 2HO* A 11 2HO* A 11 5.644 2.309 11.660 116 H1* A 11 H1* A 11 5.960 2.763 9.375 117 H8 A 11 H8 A 11 8.679 1.069 7.395 118 1H6 A 11 1H6 A 11 4.741 -3.379 6.057 119 2H6 A 11 2H6 A 11 5.604 -2.226 5.067 120 H2 A 11 H2 A 11 2.670 -0.570 9.001 121 1H5* G 12 1H5* G 12 9.386 -1.811 13.158 122 2H5* G 12 2H5* G 12 9.212 -0.831 11.689 123 H4* G 12 H4* G 12 7.057 -0.298 13.562 124 H3* G 12 H3* G 12 7.523 -3.157 12.708 125 H2* G 12 H2* G 12 5.209 -3.398 12.301 126 2HO* G 12 2HO* G 12 4.001 -1.224 12.895 127 H1* G 12 H1* G 12 4.852 -0.842 11.219 128 H8 G 12 H8 G 12 7.833 -1.723 9.453 129 H1 G 12 H1 G 12 3.075 -5.738 7.870 130 1H2 G 12 1H2 G 12 1.558 -5.774 9.508 131 2H2 G 12 2H2 G 12 1.373 -4.343 10.498 132 1H5* G 13 1H5* G 13 5.114 -4.458 16.846 133 2H5* G 13 2H5* G 13 5.686 -4.524 15.174 134 H4* G 13 H4* G 13 2.775 -4.641 16.009 135 H3* G 13 H3* G 13 4.770 -6.816 15.377 136 H2* G 13 H2* G 13 3.126 -7.993 14.172 137 2HO* G 13 2HO* G 13 0.913 -6.577 14.482 138 H1* G 13 H1* G 13 1.872 -5.777 13.063 139 H8 G 13 H8 G 13 5.504 -5.133 12.806 140 H1 G 13 H1 G 13 3.470 -9.472 8.527 141 1H2 G 13 1H2 G 13 1.198 -9.764 8.876 142 2H2 G 13 2H2 G 13 0.837 -9.952 10.577 143 1H5* G 14 1H5* G 14 1.842 -8.444 16.805 144 2H5* G 14 2H5* G 14 1.549 -9.305 18.333 145 H4* G 14 H4* G 14 0.802 -10.952 16.936 146 H3* G 14 H3* G 14 3.798 -11.268 16.676 147 H2* G 14 H2* G 14 3.406 -12.997 15.117 148 2HO* G 14 2HO* G 14 0.671 -13.041 15.201 149 H1* G 14 H1* G 14 1.212 -11.750 13.909 150 H8 G 14 H8 G 14 4.127 -9.380 14.508 151 H1 G 14 H1 G 14 4.629 -12.991 9.198 152 1H2 G 14 1H2 G 14 3.228 -14.790 9.460 153 2H2 G 14 2H2 G 14 1.685 -14.382 10.176 154 1H5* C 15 2H5* C 15 3.910 -15.245 17.965 155 2H5* C 15 1H5* C 15 3.772 -13.911 16.797 156 H4* C 15 H4* C 15 2.836 -16.616 15.912 157 H3* C 15 H3* C 15 5.756 -15.858 16.288 158 H2* C 15 H2* C 15 6.246 -16.946 14.259 159 2HO* C 15 2HO* C 15 4.400 -18.219 13.278 160 H1* C 15 H1* C 15 3.813 -16.292 12.999 161 1H4 C 15 1H4 C 15 8.219 -12.570 10.360 162 2H4 C 15 2H4 C 15 8.495 -11.735 11.878 163 H5 C 15 H5 C 15 6.888 -12.003 13.722 164 H6 C 15 H6 C 15 5.203 -13.452 14.673 165 2H ASP 2 2H ASP 2 9.982 -12.387 -1.971 166 1H ASP 2 1H ASP 2 9.734 -13.993 -1.475 167 3H ASP 2 3H ASP 2 11.173 -13.188 -1.067 168 HA ASP 2 HA ASP 2 9.952 -13.080 0.907 169 1HB ASP 2 1HB ASP 2 9.242 -10.583 -0.653 170 2HB ASP 2 2HB ASP 2 9.531 -10.707 1.081 171 H ALA 3 H ALA 3 7.715 -11.494 1.438 172 HA ALA 3 HA ALA 3 5.469 -12.858 0.005 173 1HB ALA 3 1HB ALA 3 6.397 -13.117 2.765 174 2HB ALA 3 2HB ALA 3 4.697 -12.659 2.674 175 3HB ALA 3 3HB ALA 3 5.259 -14.125 1.872 176 H GLN 4 H GLN 4 6.450 -10.222 2.179 177 HA GLN 4 HA GLN 4 3.960 -8.779 2.002 178 1HB GLN 4 1HB GLN 4 5.682 -8.471 3.765 179 2HB GLN 4 2HB GLN 4 6.805 -7.863 2.554 180 1HG GLN 4 1HG GLN 4 5.283 -5.994 2.058 181 2HG GLN 4 2HG GLN 4 4.141 -6.597 3.259 182 1HE2 GLN 4 2HE2 GLN 4 5.536 -3.990 3.350 183 2HE2 GLN 4 1HE2 GLN 4 6.464 -3.995 4.768 184 H THR 5 H THR 5 7.121 -8.199 0.476 185 HA THR 5 HA THR 5 6.411 -6.144 -1.302 186 HB THR 5 HB THR 5 8.174 -8.560 -1.848 187 HG1 THR 5 HG1 THR 5 9.464 -7.721 -0.436 188 1HG2 THR 5 1HG2 THR 5 7.901 -5.819 -3.054 189 2HG2 THR 5 2HG2 THR 5 9.416 -6.720 -3.174 190 3HG2 THR 5 3HG2 THR 5 7.934 -7.384 -3.868 191 H ARG 6 H ARG 6 5.825 -9.604 -1.457 192 HA ARG 6 HA ARG 6 4.640 -9.660 -4.115 193 1HB ARG 6 1HB ARG 6 5.241 -11.423 -1.887 194 2HB ARG 6 2HB ARG 6 3.593 -11.705 -2.462 195 1HG ARG 6 1HG ARG 6 4.306 -12.580 -4.443 196 2HG ARG 6 2HG ARG 6 5.603 -11.398 -4.610 197 1HD ARG 6 1HD ARG 6 6.806 -13.390 -4.262 198 2HD ARG 6 2HD ARG 6 6.686 -12.752 -2.610 199 HE ARG 6 HE ARG 6 5.204 -14.517 -2.101 200 1HH1 ARG 6 1HH1 ARG 6 5.423 -14.027 -5.532 201 2HH1 ARG 6 2HH1 ARG 6 4.442 -15.401 -5.909 202 1HH2 ARG 6 1HH2 ARG 6 3.928 -16.300 -2.604 203 2HH2 ARG 6 2HH2 ARG 6 3.599 -16.682 -4.260 204 H ARG 7 H ARG 7 3.447 -9.615 -0.771 205 HA ARG 7 HA ARG 7 0.681 -9.656 -1.331 206 1HB ARG 7 1HB ARG 7 1.410 -10.003 0.889 207 2HB ARG 7 2HB ARG 7 2.449 -8.584 0.854 208 1HG ARG 7 1HG ARG 7 0.166 -7.280 0.556 209 2HG ARG 7 2HG ARG 7 -0.521 -8.741 1.266 210 1HD ARG 7 1HD ARG 7 0.175 -8.116 3.323 211 2HD ARG 7 2HD ARG 7 1.839 -7.929 2.742 212 HE ARG 7 HE ARG 7 -0.108 -5.760 3.005 213 1HH1 ARG 7 1HH1 ARG 7 2.676 -6.942 1.314 214 2HH1 ARG 7 2HH1 ARG 7 3.205 -5.370 0.853 215 1HH2 ARG 7 1HH2 ARG 7 0.585 -3.722 2.404 216 2HH2 ARG 7 2HH2 ARG 7 2.028 -3.548 1.467 217 H ARG 8 H ARG 8 3.024 -7.026 -1.354 218 HA ARG 8 HA ARG 8 1.326 -4.756 -1.443 219 1HB ARG 8 1HB ARG 8 3.955 -5.130 -1.467 220 2HB ARG 8 2HB ARG 8 3.748 -5.042 -3.214 221 1HG ARG 8 1HG ARG 8 4.176 -2.807 -2.597 222 2HG ARG 8 2HG ARG 8 2.421 -2.869 -2.751 223 1HD ARG 8 1HD ARG 8 3.165 -1.708 -0.651 224 2HD ARG 8 2HD ARG 8 2.192 -3.152 -0.318 225 HE ARG 8 HE ARG 8 4.122 -4.176 0.578 226 1HH1 ARG 8 1HH1 ARG 8 4.965 -1.473 -1.424 227 2HH1 ARG 8 2HH1 ARG 8 6.648 -1.559 -1.036 228 1HH2 ARG 8 1HH2 ARG 8 6.312 -4.280 1.078 229 2HH2 ARG 8 2HH2 ARG 8 7.409 -3.139 0.374 230 H GLU 9 H GLU 9 2.356 -6.963 -4.017 231 HA GLU 9 HA GLU 9 1.030 -5.581 -6.160 232 1HB GLU 9 1HB GLU 9 1.508 -8.563 -5.780 233 2HB GLU 9 2HB GLU 9 1.281 -7.737 -7.322 234 1HG GLU 9 1HG GLU 9 3.346 -6.294 -6.300 235 2HG GLU 9 2HG GLU 9 3.680 -7.871 -5.586 236 H ARG 10 H ARG 10 0.034 -7.804 -3.671 237 HA ARG 10 HA ARG 10 -2.678 -8.179 -4.673 238 1HB ARG 10 1HB ARG 10 -0.932 -9.106 -2.542 239 2HB ARG 10 2HB ARG 10 -2.512 -8.672 -1.892 240 1HG ARG 10 1HG ARG 10 -3.636 -10.223 -3.270 241 2HG ARG 10 2HG ARG 10 -2.264 -10.372 -4.368 242 1HD ARG 10 1HD ARG 10 -1.151 -11.857 -2.993 243 2HD ARG 10 2HD ARG 10 -1.806 -11.130 -1.513 244 HE ARG 10 HE ARG 10 -3.879 -12.346 -3.154 245 1HH1 ARG 10 1HH1 ARG 10 -1.415 -12.918 -0.774 246 2HH1 ARG 10 2HH1 ARG 10 -2.188 -14.334 -0.145 247 1HH2 ARG 10 1HH2 ARG 10 -4.873 -14.188 -2.327 248 2HH2 ARG 10 2HH2 ARG 10 -4.135 -15.049 -1.018 249 H ARG 11 H ARG 11 -0.923 -5.727 -2.991 250 HA ARG 11 HA ARG 11 -3.346 -4.591 -1.732 251 1HB ARG 11 1HB ARG 11 -0.444 -3.726 -1.889 252 2HB ARG 11 2HB ARG 11 -1.693 -2.858 -1.003 253 1HG ARG 11 1HG ARG 11 -0.738 -5.687 -0.478 254 2HG ARG 11 2HG ARG 11 -0.491 -4.285 0.553 255 1HD ARG 11 1HD ARG 11 -2.476 -4.672 1.576 256 2HD ARG 11 2HD ARG 11 -3.316 -4.574 0.020 257 HE ARG 11 HE ARG 11 -1.905 -7.074 0.211 258 1HH1 ARG 11 1HH1 ARG 11 -4.697 -5.378 1.384 259 2HH1 ARG 11 2HH1 ARG 11 -5.608 -6.824 1.655 260 1HH2 ARG 11 1HH2 ARG 11 -3.099 -8.946 0.567 261 2HH2 ARG 11 2HH2 ARG 11 -4.709 -8.834 1.195 262 H ALA 12 H ALA 12 -2.106 -4.621 -4.837 263 HA ALA 12 HA ALA 12 -2.123 -1.899 -5.683 264 1HB ALA 12 1HB ALA 12 -1.571 -3.989 -7.018 265 2HB ALA 12 2HB ALA 12 -3.300 -4.315 -7.121 266 3HB ALA 12 3HB ALA 12 -2.630 -2.867 -7.871 267 H GLU 13 H GLU 13 -4.705 -4.046 -4.692 268 HA GLU 13 HA GLU 13 -6.888 -2.387 -5.683 269 1HB GLU 13 1HB GLU 13 -6.715 -4.593 -3.595 270 2HB GLU 13 2HB GLU 13 -8.220 -3.950 -4.255 271 1HG GLU 13 1HG GLU 13 -6.659 -4.574 -6.504 272 2HG GLU 13 2HG GLU 13 -6.415 -5.924 -5.395 273 H LYS 14 H LYS 14 -4.970 -2.693 -2.725 274 HA LYS 14 HA LYS 14 -6.639 -0.821 -1.190 275 1HB LYS 14 1HB LYS 14 -3.837 -1.969 -0.828 276 2HB LYS 14 2HB LYS 14 -4.711 -1.060 0.406 277 1HG LYS 14 1HG LYS 14 -5.787 -3.592 -0.858 278 2HG LYS 14 2HG LYS 14 -4.851 -3.579 0.637 279 1HD LYS 14 1HD LYS 14 -6.533 -2.563 1.850 280 2HD LYS 14 2HD LYS 14 -7.185 -1.722 0.443 281 1HE LYS 14 1HE LYS 14 -8.112 -3.835 -0.422 282 2HE LYS 14 2HE LYS 14 -7.432 -4.708 0.967 283 1HZ LYS 14 1HZ LYS 14 -8.650 -3.146 2.424 284 2HZ LYS 14 2HZ LYS 14 -9.411 -2.493 1.052 285 3HZ LYS 14 3HZ LYS 14 -9.683 -4.112 1.480 286 H GLN 15 H GLN 15 -3.693 -0.851 -3.076 287 HA GLN 15 HA GLN 15 -2.831 1.852 -2.623 288 1HB GLN 15 1HB GLN 15 -2.183 -0.534 -4.183 289 2HB GLN 15 2HB GLN 15 -1.905 0.925 -5.116 290 1HG GLN 15 1HG GLN 15 -0.272 1.708 -3.663 291 2HG GLN 15 2HG GLN 15 -0.944 0.831 -2.288 292 1HE2 GLN 15 2HE2 GLN 15 -0.846 -1.688 -2.582 293 2HE2 GLN 15 1HE2 GLN 15 0.586 -2.305 -3.253 294 H ALA 16 H ALA 16 -4.534 0.285 -5.349 295 HA ALA 16 HA ALA 16 -5.001 2.740 -6.799 296 1HB ALA 16 1HB ALA 16 -6.437 0.056 -6.779 297 2HB ALA 16 2HB ALA 16 -6.635 1.289 -8.025 298 3HB ALA 16 3HB ALA 16 -5.074 0.495 -7.809 299 H GLN 17 H GLN 17 -6.630 1.191 -4.099 300 HA GLN 17 HA GLN 17 -9.100 2.761 -4.384 301 1HB GLN 17 1HB GLN 17 -7.891 0.731 -2.589 302 2HB GLN 17 2HB GLN 17 -8.979 1.858 -1.790 303 1HG GLN 17 1HG GLN 17 -9.999 -0.315 -2.778 304 2HG GLN 17 2HG GLN 17 -10.825 1.206 -3.092 305 1HE2 GLN 17 2HE2 GLN 17 -11.718 0.703 -5.157 306 2HE2 GLN 17 1HE2 GLN 17 -10.769 0.339 -6.517 307 H TRP 18 H TRP 18 -6.119 2.806 -2.526 308 HA TRP 18 HA TRP 18 -6.710 5.180 -0.970 309 1HB TRP 18 1HB TRP 18 -5.040 3.520 -0.292 310 2HB TRP 18 2HB TRP 18 -4.169 3.737 -1.796 311 HD1 TRP 18 HD1 TRP 18 -4.657 5.348 1.597 312 HE1 TRP 18 HE1 TRP 18 -3.065 7.377 1.780 313 HE3 TRP 18 HE3 TRP 18 -2.968 5.560 -3.155 314 HZ2 TRP 18 HZ2 TRP 18 -1.293 8.873 0.109 315 HZ3 TRP 18 HZ3 TRP 18 -1.349 7.252 -3.848 316 HH2 TRP 18 HH2 TRP 18 -0.490 8.887 -2.245 317 H LYS 19 H LYS 19 -4.745 4.495 -3.832 318 HA LYS 19 HA LYS 19 -3.844 7.127 -4.399 319 1HB LYS 19 1HB LYS 19 -4.382 4.646 -6.052 320 2HB LYS 19 2HB LYS 19 -3.738 6.115 -6.774 321 1HG LYS 19 1HG LYS 19 -1.927 6.033 -4.971 322 2HG LYS 19 2HG LYS 19 -2.462 4.384 -4.663 323 1HD LYS 19 1HD LYS 19 -2.040 5.022 -7.514 324 2HD LYS 19 2HD LYS 19 -0.578 5.077 -6.530 325 1HE LYS 19 1HE LYS 19 -2.104 2.754 -5.775 326 2HE LYS 19 2HE LYS 19 -1.881 2.758 -7.535 327 1HZ LYS 19 1HZ LYS 19 0.488 3.373 -7.092 328 2HZ LYS 19 2HZ LYS 19 0.213 3.045 -5.450 329 3HZ LYS 19 3HZ LYS 19 0.065 1.802 -6.600 330 H ALA 20 H ALA 20 -6.794 5.374 -5.187 331 HA ALA 20 HA ALA 20 -7.888 7.255 -7.016 332 1HB ALA 20 1HB ALA 20 -8.886 5.104 -5.199 333 2HB ALA 20 2HB ALA 20 -10.070 6.172 -5.952 334 3HB ALA 20 3HB ALA 20 -8.987 5.210 -6.957 335 H ALA 21 H ALA 21 -7.710 7.163 -3.514 336 HA ALA 21 HA ALA 21 -9.221 9.739 -3.405 337 1HB ALA 21 1HB ALA 21 -10.283 7.745 -2.318 338 2HB ALA 21 2HB ALA 21 -8.870 7.616 -1.270 339 3HB ALA 21 3HB ALA 21 -9.918 9.030 -1.166 340 H ASN 22 H ASN 22 -6.354 9.246 -3.859 341 HA ASN 22 HA ASN 22 -5.332 11.158 -1.863 342 1HB ASN 22 1HB ASN 22 -4.268 8.336 -2.160 343 2HB ASN 22 2HB ASN 22 -3.406 9.627 -1.326 344 1HD2 ASN 22 2HD2 ASN 22 -5.476 7.097 -0.768 345 2HD2 ASN 22 1HD2 ASN 22 -6.190 7.624 0.679 346 HA PRO 23 HA PRO 23 -3.446 11.089 -6.191 347 1HB PRO 23 1HB PRO 23 -4.710 13.312 -7.186 348 2HB PRO 23 2HB PRO 23 -5.348 11.668 -7.402 349 1HG PRO 23 1HG PRO 23 -6.152 13.770 -5.456 350 2HG PRO 23 2HG PRO 23 -7.153 12.609 -6.344 351 1HD PRO 23 1HD PRO 23 -6.452 12.291 -3.731 352 2HD PRO 23 2HD PRO 23 -6.785 10.932 -4.816 353 H LEU 24 H LEU 24 -4.365 13.411 -3.767 354 HA LEU 24 HA LEU 24 -2.533 15.520 -4.268 355 1HB LEU 24 1HB LEU 24 -3.217 16.212 -2.133 356 2HB LEU 24 2HB LEU 24 -4.492 15.057 -2.498 357 HG LEU 24 HG LEU 24 -1.968 14.262 -1.011 358 1HD1 LEU 24 1HD1 LEU 24 -4.478 15.570 -0.041 359 2HD1 LEU 24 2HD1 LEU 24 -3.713 14.345 0.972 360 3HD1 LEU 24 3HD1 LEU 24 -2.816 15.790 0.506 361 1HD2 LEU 24 1HD2 LEU 24 -4.002 12.728 -2.128 362 2HD2 LEU 24 2HD2 LEU 24 -2.930 12.197 -0.832 363 3HD2 LEU 24 3HD2 LEU 24 -4.510 12.887 -0.452 364 H LEU 25 H LEU 25 -2.168 12.394 -2.739 365 HA LEU 25 HA LEU 25 0.736 12.851 -2.264 366 1HB LEU 25 1HB LEU 25 -1.437 11.008 -1.291 367 2HB LEU 25 2HB LEU 25 0.236 10.448 -1.206 368 HG LEU 25 HG LEU 25 -0.581 13.143 -0.118 369 1HD1 LEU 25 1HD1 LEU 25 -1.801 11.010 0.858 370 2HD1 LEU 25 2HD1 LEU 25 -0.249 10.747 1.653 371 3HD1 LEU 25 3HD1 LEU 25 -1.149 12.234 1.946 372 1HD2 LEU 25 1HD2 LEU 25 1.870 12.235 -0.597 373 2HD2 LEU 25 2HD2 LEU 25 1.522 13.152 0.869 374 3HD2 LEU 25 3HD2 LEU 25 1.613 11.391 0.931 375 H VAL 26 H VAL 26 -0.466 12.658 -4.850 376 HA VAL 26 HA VAL 26 1.031 10.389 -5.980 377 HB VAL 26 HB VAL 26 -1.856 10.512 -5.436 378 1HG1 VAL 26 1HG1 VAL 26 -0.913 10.062 -8.275 379 2HG1 VAL 26 2HG1 VAL 26 -2.415 9.369 -7.661 380 3HG1 VAL 26 3HG1 VAL 26 -2.204 11.122 -7.698 381 1HG2 VAL 26 1HG2 VAL 26 0.198 8.449 -6.228 382 2HG2 VAL 26 2HG2 VAL 26 -0.642 8.635 -4.686 383 3HG2 VAL 26 3HG2 VAL 26 -1.513 8.031 -6.098 384 H GLY 27 H GLY 27 2.157 11.495 -7.539 385 1HA GLY 27 1HA GLY 27 2.548 12.848 -9.433 386 2HA GLY 27 2HA GLY 27 0.802 12.839 -9.706 387 H VAL 28 H VAL 28 -0.449 14.220 -8.015 388 HA VAL 28 HA VAL 28 0.360 16.950 -8.187 389 HB VAL 28 HB VAL 28 -1.496 15.598 -6.200 390 1HG1 VAL 28 1HG1 VAL 28 -1.155 18.433 -7.183 391 2HG1 VAL 28 2HG1 VAL 28 -2.677 17.876 -6.488 392 3HG1 VAL 28 3HG1 VAL 28 -1.203 17.849 -5.520 393 1HG2 VAL 28 1HG2 VAL 28 -1.766 16.316 -9.102 394 2HG2 VAL 28 2HG2 VAL 28 -2.381 14.905 -8.239 395 3HG2 VAL 28 3HG2 VAL 28 -3.177 16.468 -8.057 396 H SER 29 H SER 29 0.836 18.360 -6.230 397 HA SER 29 HA SER 29 2.302 18.886 -4.443 398 1HB SER 29 1HB SER 29 1.630 17.779 -2.535 399 2HB SER 29 2HB SER 29 0.368 17.207 -3.619 400 HG SER 29 HG SER 29 1.322 15.288 -3.737 401 H ALA 30 H ALA 30 3.935 17.221 -2.901 402 HA ALA 30 HA ALA 30 6.090 16.246 -2.960 403 1HB ALA 30 1HB ALA 30 4.352 14.529 -3.991 404 2HB ALA 30 2HB ALA 30 5.231 14.858 -5.484 405 3HB ALA 30 3HB ALA 30 6.082 14.197 -4.088 406 H LYS 31 H LYS 31 6.184 18.756 -3.989 407 HA LYS 31 HA LYS 31 8.286 18.546 -6.039 408 1HB LYS 31 1HB LYS 31 7.006 20.089 -7.572 409 2HB LYS 31 2HB LYS 31 6.266 18.498 -7.396 410 1HG LYS 31 1HG LYS 31 4.421 19.341 -6.381 411 2HG LYS 31 2HG LYS 31 5.367 20.435 -5.373 412 1HD LYS 31 1HD LYS 31 5.715 21.839 -7.493 413 2HD LYS 31 2HD LYS 31 4.436 20.863 -8.216 414 1HE LYS 31 1HE LYS 31 2.812 21.627 -6.649 415 2HE LYS 31 2HE LYS 31 4.057 22.284 -5.567 416 1HZ LYS 31 1HZ LYS 31 4.739 23.767 -7.402 417 2HZ LYS 31 2HZ LYS 31 3.414 23.223 -8.312 418 3HZ LYS 31 3HZ LYS 31 3.157 24.073 -6.863 419 HA PRO 32 HA PRO 32 8.623 22.071 -3.066 420 1HB PRO 32 1HB PRO 32 11.125 21.461 -2.152 421 2HB PRO 32 2HB PRO 32 9.647 20.778 -1.446 422 1HG PRO 32 1HG PRO 32 11.607 19.541 -3.292 423 2HG PRO 32 2HG PRO 32 10.650 18.807 -2.000 424 1HD PRO 32 1HD PRO 32 10.079 18.633 -4.703 425 2HD PRO 32 2HD PRO 32 8.914 18.354 -3.393 426 H VAL 33 H VAL 33 9.189 23.930 -4.125 427 HA VAL 33 HA VAL 33 11.659 23.905 -5.831 428 HB VAL 33 HB VAL 33 10.408 25.478 -7.298 429 1HG1 VAL 33 1HG1 VAL 33 9.365 22.740 -6.674 430 2HG1 VAL 33 2HG1 VAL 33 8.487 23.733 -7.837 431 3HG1 VAL 33 3HG1 VAL 33 10.177 23.325 -8.126 432 1HG2 VAL 33 1HG2 VAL 33 8.948 26.334 -5.406 433 2HG2 VAL 33 2HG2 VAL 33 8.082 25.970 -6.899 434 3HG2 VAL 33 3HG2 VAL 33 8.018 24.843 -5.544 435 H ASN 34 H ASN 34 12.959 25.797 -5.694 436 HA ASN 34 HA ASN 34 12.873 27.277 -3.221 437 1HB ASN 34 1HB ASN 34 14.726 28.541 -4.323 438 2HB ASN 34 2HB ASN 34 14.929 26.795 -4.471 439 1HD2 ASN 34 2HD2 ASN 34 15.069 29.622 -6.264 440 2HD2 ASN 34 1HD2 ASN 34 14.795 28.975 -7.809 441 H ARG 35 H ARG 35 10.599 28.094 -3.375 442 HA ARG 35 HA ARG 35 10.487 30.650 -4.935 443 1HB ARG 35 1HB ARG 35 8.767 28.233 -4.997 444 2HB ARG 35 2HB ARG 35 7.906 29.771 -4.971 445 1HG ARG 35 1HG ARG 35 8.233 29.680 -7.231 446 2HG ARG 35 2HG ARG 35 9.818 30.331 -6.813 447 1HD ARG 35 1HD ARG 35 10.403 27.744 -6.485 448 2HD ARG 35 2HD ARG 35 9.079 27.556 -7.652 449 HE ARG 35 HE ARG 35 11.676 28.757 -8.210 450 1HH1 ARG 35 1HH1 ARG 35 8.292 28.745 -8.996 451 2HH1 ARG 35 2HH1 ARG 35 8.543 29.364 -10.592 452 1HH2 ARG 35 1HH2 ARG 35 11.985 29.561 -10.287 453 2HH2 ARG 35 2HH2 ARG 35 10.620 29.823 -11.319 454 HA PRO 36 HA PRO 36 8.845 32.430 -1.267 455 1HB PRO 36 1HB PRO 36 6.762 33.972 -2.146 456 2HB PRO 36 2HB PRO 36 8.462 34.390 -2.438 457 1HG PRO 36 1HG PRO 36 6.483 33.128 -4.268 458 2HG PRO 36 2HG PRO 36 7.731 34.334 -4.614 459 1HD PRO 36 1HD PRO 36 7.992 31.688 -5.204 460 2HD PRO 36 2HD PRO 36 9.370 32.758 -4.862 Start of MODEL 12 1 1H5* G 1 1H5* G 1 12.297 -13.057 2.525 2 2H5* G 1 2H5* G 1 13.329 -14.324 1.825 3 H4* G 1 H4* G 1 11.784 -16.031 2.348 4 H3* G 1 H3* G 1 9.775 -13.794 2.776 5 H2* G 1 H2* G 1 8.675 -15.118 4.391 6 2HO* G 1 2HO* G 1 8.465 -17.126 3.678 7 H1* G 1 H1* G 1 10.992 -16.223 5.470 8 H8 G 1 H8 G 1 11.450 -12.526 4.948 9 H1 G 1 H1 G 1 7.738 -14.002 9.981 10 1H2 G 1 1H2 G 1 6.922 -16.135 9.623 11 2H2 G 1 2H2 G 1 8.146 -17.234 9.030 12 1H5* C 2 1H5* C 2 6.402 -16.525 0.863 13 2H5* C 2 2H5* C 2 7.124 -15.408 2.041 14 H4* C 2 H4* C 2 5.416 -17.810 2.766 15 H3* C 2 H3* C 2 4.750 -14.864 2.479 16 H2* C 2 H2* C 2 3.374 -14.977 4.374 17 2HO* C 2 2HO* C 2 3.533 -17.813 4.233 18 H1* C 2 H1* C 2 4.936 -16.799 5.811 19 1H4 C 2 1H4 C 2 6.079 -11.118 8.390 20 2H4 C 2 2H4 C 2 7.293 -10.792 7.177 21 H5 C 2 H5 C 2 7.384 -12.090 5.103 22 H6 C 2 H6 C 2 6.952 -14.298 4.155 23 1H5* C 3 1H5* C 3 -0.108 -13.873 1.409 24 2H5* C 3 2H5* C 3 1.403 -13.143 1.989 25 H4* C 3 H4* C 3 -0.639 -14.574 3.716 26 H3* C 3 H3* C 3 0.013 -11.653 3.277 27 H2* C 3 H2* C 3 -0.334 -11.210 5.558 28 2HO* C 3 2HO* C 3 -1.172 -13.747 6.268 29 H1* C 3 H1* C 3 0.784 -13.577 6.505 30 1H4 C 3 1H4 C 3 5.038 -8.762 6.873 31 2H4 C 3 2H4 C 3 5.939 -9.595 5.626 32 H5 C 3 H5 C 3 4.584 -10.890 3.978 33 H6 C 3 H6 C 3 2.857 -12.581 3.834 34 1H5* C 4 1H5* C 4 -3.954 -10.208 4.490 35 2H5* C 4 2H5* C 4 -2.210 -10.528 4.579 36 H4* C 4 H4* C 4 -3.855 -10.302 7.090 37 H3* C 4 H3* C 4 -2.825 -8.017 5.376 38 H2* C 4 H2* C 4 -2.080 -6.896 7.292 39 2HO* C 4 2HO* C 4 -3.445 -8.725 8.971 40 H1* C 4 H1* C 4 -1.292 -9.140 8.732 41 1H4 C 4 1H4 C 4 3.688 -6.286 5.729 42 2H4 C 4 2H4 C 4 4.140 -7.945 5.428 43 H5 C 4 H5 C 4 1.765 -8.823 4.449 44 H6 C 4 H6 C 4 -0.311 -9.524 5.324 45 1H5* U 5 1H5* U 5 -4.600 -6.207 8.575 46 2H5* U 5 2H5* U 5 -5.771 -4.997 8.014 47 H4* U 5 H4* U 5 -4.275 -3.903 9.527 48 H3* U 5 H3* U 5 -3.634 -3.239 6.638 49 H2* U 5 H2* U 5 -1.949 -1.780 7.432 50 2HO* U 5 2HO* U 5 -1.905 -1.326 9.786 51 H1* U 5 H1* U 5 -1.307 -3.334 9.696 52 H3 U 5 H3 U 5 2.467 -2.697 7.296 53 H5 U 5 H5 U 5 0.413 -5.656 5.184 54 H6 U 5 H6 U 5 -1.482 -5.236 6.598 55 1H5* G 6 1H5* G 6 -1.810 0.077 8.192 56 2H5* G 6 2H5* G 6 -3.134 1.262 8.133 57 H4* G 6 H4* G 6 -1.696 2.449 6.836 58 H3* G 6 H3* G 6 -2.612 0.296 4.896 59 H2* G 6 H2* G 6 -1.066 1.093 3.324 60 2HO* G 6 2HO* G 6 -1.547 3.300 3.442 61 H1* G 6 H1* G 6 0.914 1.830 5.173 62 H8 G 6 H8 G 6 -0.993 -1.542 5.034 63 H1 G 6 H1 G 6 4.860 -1.505 2.367 64 1H2 G 6 1H2 G 6 5.562 0.653 2.176 65 2H2 G 6 2H2 G 6 5.002 1.766 3.408 66 1H5* A 7 1H5* A 7 -4.482 1.922 0.899 67 2H5* A 7 2H5* A 7 -3.609 0.378 0.954 68 H4* A 7 H4* A 7 -2.785 1.692 -0.908 69 H3* A 7 H3* A 7 -0.858 1.606 1.439 70 H2* A 7 H2* A 7 0.657 2.888 0.150 71 2HO* A 7 2HO* A 7 -0.506 3.057 -2.235 72 H1* A 7 H1* A 7 -1.312 4.345 -1.207 73 H8 A 7 H8 A 7 -2.113 4.689 2.376 74 1H6 A 7 1H6 A 7 1.629 9.172 2.767 75 2H6 A 7 2H6 A 7 1.936 7.768 3.763 76 H2 A 7 H2 A 7 2.847 6.793 -1.117 77 1H5* A 8 1H5* A 8 1.054 0.509 -1.639 78 2H5* A 8 2H5* A 8 2.326 -0.731 -1.681 79 H4* A 8 H4* A 8 3.295 1.442 -2.188 80 H3* A 8 H3* A 8 3.939 0.340 0.567 81 H2* A 8 H2* A 8 5.254 2.236 1.062 82 2HO* A 8 2HO* A 8 5.687 3.789 -0.667 83 H1* A 8 H1* A 8 3.611 4.081 -0.253 84 H8 A 8 H8 A 8 1.401 1.769 1.678 85 1H6 A 8 1H6 A 8 2.799 4.968 6.774 86 2H6 A 8 2H6 A 8 1.493 4.115 5.982 87 H2 A 8 H2 A 8 5.504 6.387 3.468 88 1H5* A 9 2H5* A 9 8.321 -1.311 -2.484 89 2H5* A 9 1H5* A 9 7.409 -0.392 -1.269 90 H4* A 9 H4* A 9 9.476 0.589 -2.853 91 H3* A 9 H3* A 9 7.236 1.967 -1.348 92 H2* A 9 H2* A 9 8.046 4.041 -2.165 93 2HO* A 9 2HO* A 9 10.247 2.903 -3.447 94 H1* A 9 H1* A 9 8.622 3.067 -4.720 95 H8 A 9 H8 A 9 6.312 4.448 -2.302 96 1H6 A 9 1H6 A 9 2.334 5.302 -6.337 97 2H6 A 9 2H6 A 9 1.763 4.102 -5.199 98 H2 A 9 H2 A 9 5.136 1.793 -8.025 99 1H5* A 10 1H5* A 10 10.211 0.756 3.645 100 2H5* A 10 2H5* A 10 8.498 1.091 3.317 101 H4* A 10 H4* A 10 10.418 3.391 3.488 102 H3* A 10 H3* A 10 9.348 1.773 5.802 103 H2* A 10 H2* A 10 8.818 3.728 6.991 104 2HO* A 10 2HO* A 10 10.556 5.029 5.170 105 H1* A 10 H1* A 10 7.972 5.240 4.810 106 H8 A 10 H8 A 10 6.341 2.188 3.942 107 1H6 A 10 1H6 A 10 2.799 1.852 7.317 108 2H6 A 10 2H6 A 10 2.250 3.012 8.505 109 H2 A 10 H2 A 10 5.788 5.675 9.311 110 1H5* A 11 1H5* A 11 10.335 4.281 8.556 111 2H5* A 11 2H5* A 11 11.147 3.249 9.757 112 H4* A 11 H4* A 11 8.832 4.055 10.407 113 H3* A 11 H3* A 11 9.472 1.100 10.233 114 H2* A 11 H2* A 11 7.268 0.572 10.849 115 2HO* A 11 2HO* A 11 6.901 3.290 11.585 116 H1* A 11 H1* A 11 6.019 2.652 9.490 117 H8 A 11 H8 A 11 8.670 0.977 7.350 118 1H6 A 11 1H6 A 11 4.633 -3.425 6.122 119 2H6 A 11 2H6 A 11 5.514 -2.296 5.120 120 H2 A 11 H2 A 11 2.690 -0.588 9.115 121 1H5* G 12 1H5* G 12 9.040 -1.825 13.501 122 2H5* G 12 2H5* G 12 8.940 -1.011 11.931 123 H4* G 12 H4* G 12 6.844 -0.137 13.771 124 H3* G 12 H3* G 12 7.098 -3.080 13.106 125 H2* G 12 H2* G 12 4.796 -3.189 12.617 126 2HO* G 12 2HO* G 12 4.590 -1.404 14.543 127 H1* G 12 H1* G 12 4.594 -0.673 11.427 128 H8 G 12 H8 G 12 7.519 -1.582 9.694 129 H1 G 12 H1 G 12 2.825 -5.696 8.185 130 1H2 G 12 1H2 G 12 1.112 -5.422 9.558 131 2H2 G 12 2H2 G 12 1.359 -4.694 11.129 132 1H5* G 13 1H5* G 13 4.254 -3.266 15.992 133 2H5* G 13 2H5* G 13 4.549 -4.408 17.319 134 H4* G 13 H4* G 13 2.455 -4.984 16.248 135 H3* G 13 H3* G 13 4.739 -6.832 15.498 136 H2* G 13 H2* G 13 3.263 -8.045 14.148 137 2HO* G 13 2HO* G 13 1.043 -6.679 15.244 138 H1* G 13 H1* G 13 1.715 -5.875 13.301 139 H8 G 13 H8 G 13 5.229 -4.853 12.796 140 H1 G 13 H1 G 13 3.271 -9.212 8.504 141 1H2 G 13 1H2 G 13 1.107 -9.792 9.049 142 2H2 G 13 2H2 G 13 0.880 -10.023 10.769 143 1H5* G 14 1H5* G 14 0.046 -9.718 17.406 144 2H5* G 14 2H5* G 14 1.462 -10.383 18.251 145 H4* G 14 H4* G 14 0.018 -12.009 16.829 146 H3* G 14 H3* G 14 3.021 -11.765 16.509 147 H2* G 14 H2* G 14 2.931 -13.497 14.896 148 2HO* G 14 2HO* G 14 0.458 -14.056 16.100 149 H1* G 14 H1* G 14 0.555 -12.645 13.707 150 H8 G 14 H8 G 14 2.810 -9.726 14.490 151 H1 G 14 H1 G 14 4.437 -12.884 9.123 152 1H2 G 14 1H2 G 14 3.426 -14.862 9.099 153 2H2 G 14 2H2 G 14 1.963 -15.104 10.029 154 1H5* C 15 1H5* C 15 2.179 -15.496 16.729 155 2H5* C 15 2H5* C 15 3.064 -16.543 17.864 156 H4* C 15 H4* C 15 3.276 -17.590 15.739 157 H3* C 15 H3* C 15 5.750 -15.969 16.404 158 H2* C 15 H2* C 15 6.711 -16.718 14.383 159 2HO* C 15 2HO* C 15 6.466 -18.775 14.005 160 H1* C 15 H1* C 15 4.283 -16.806 12.949 161 1H4 C 15 1H4 C 15 7.383 -11.790 10.663 162 2H4 C 15 2H4 C 15 7.370 -10.988 12.222 163 H5 C 15 H5 C 15 5.902 -11.824 14.020 164 H6 C 15 H6 C 15 4.781 -13.781 14.883 165 2H ASP 2 2H ASP 2 9.724 -10.452 -1.536 166 1H ASP 2 1H ASP 2 9.739 -12.139 -1.693 167 3H ASP 2 3H ASP 2 11.097 -11.335 -1.065 168 HA ASP 2 HA ASP 2 10.029 -12.227 0.821 169 1HB ASP 2 1HB ASP 2 9.027 -9.389 0.478 170 2HB ASP 2 2HB ASP 2 9.477 -10.183 1.983 171 H ALA 3 H ALA 3 7.751 -11.226 2.070 172 HA ALA 3 HA ALA 3 5.575 -12.545 0.496 173 1HB ALA 3 1HB ALA 3 6.064 -12.014 3.434 174 2HB ALA 3 2HB ALA 3 4.568 -12.717 2.816 175 3HB ALA 3 3HB ALA 3 6.098 -13.572 2.611 176 H GLN 4 H GLN 4 6.341 -9.644 2.384 177 HA GLN 4 HA GLN 4 3.734 -8.430 2.135 178 1HB GLN 4 1HB GLN 4 5.613 -7.907 3.776 179 2HB GLN 4 2HB GLN 4 6.445 -7.103 2.449 180 1HG GLN 4 1HG GLN 4 4.319 -5.719 2.138 181 2HG GLN 4 2HG GLN 4 3.799 -6.352 3.701 182 1HE2 GLN 4 2HE2 GLN 4 5.315 -3.715 2.365 183 2HE2 GLN 4 1HE2 GLN 4 6.260 -3.237 3.688 184 H THR 5 H THR 5 6.805 -7.847 0.416 185 HA THR 5 HA THR 5 5.919 -5.983 -1.498 186 HB THR 5 HB THR 5 7.791 -8.362 -1.814 187 HG1 THR 5 HG1 THR 5 8.959 -7.222 -0.515 188 1HG2 THR 5 1HG2 THR 5 7.379 -5.854 -3.450 189 2HG2 THR 5 2HG2 THR 5 8.837 -6.843 -3.564 190 3HG2 THR 5 3HG2 THR 5 7.270 -7.529 -3.995 191 H ARG 6 H ARG 6 5.429 -9.454 -1.275 192 HA ARG 6 HA ARG 6 4.151 -9.794 -3.874 193 1HB ARG 6 1HB ARG 6 4.934 -11.332 -1.548 194 2HB ARG 6 2HB ARG 6 3.267 -11.716 -1.986 195 1HG ARG 6 1HG ARG 6 4.127 -13.091 -3.562 196 2HG ARG 6 2HG ARG 6 4.595 -11.635 -4.441 197 1HD ARG 6 1HD ARG 6 6.646 -12.766 -4.253 198 2HD ARG 6 2HD ARG 6 6.698 -11.709 -2.829 199 HE ARG 6 HE ARG 6 5.385 -13.899 -1.852 200 1HH1 ARG 6 1HH1 ARG 6 8.305 -13.521 -3.699 201 2HH1 ARG 6 2HH1 ARG 6 9.044 -14.937 -3.035 202 1HH2 ARG 6 1HH2 ARG 6 6.360 -15.736 -1.001 203 2HH2 ARG 6 2HH2 ARG 6 7.951 -16.183 -1.519 204 H ARG 7 H ARG 7 3.095 -9.537 -0.496 205 HA ARG 7 HA ARG 7 0.308 -9.709 -0.958 206 1HB ARG 7 1HB ARG 7 1.326 -9.878 1.243 207 2HB ARG 7 2HB ARG 7 1.980 -8.247 1.109 208 1HG ARG 7 1HG ARG 7 -0.467 -7.468 0.852 209 2HG ARG 7 2HG ARG 7 -0.907 -9.073 1.435 210 1HD ARG 7 1HD ARG 7 -0.192 -8.632 3.564 211 2HD ARG 7 2HD ARG 7 1.161 -7.632 3.016 212 HE ARG 7 HE ARG 7 -0.277 -5.767 3.120 213 1HH1 ARG 7 1HH1 ARG 7 -2.097 -8.708 2.977 214 2HH1 ARG 7 2HH1 ARG 7 -3.614 -7.906 3.186 215 1HH2 ARG 7 1HH2 ARG 7 -2.208 -4.736 3.387 216 2HH2 ARG 7 2HH2 ARG 7 -3.674 -5.647 3.418 217 H ARG 8 H ARG 8 2.576 -7.035 -1.254 218 HA ARG 8 HA ARG 8 0.796 -4.829 -1.389 219 1HB ARG 8 1HB ARG 8 3.484 -5.280 -1.609 220 2HB ARG 8 2HB ARG 8 3.083 -4.936 -3.290 221 1HG ARG 8 1HG ARG 8 3.565 -2.811 -2.390 222 2HG ARG 8 2HG ARG 8 1.806 -2.887 -2.357 223 1HD ARG 8 1HD ARG 8 2.808 -2.043 -0.201 224 2HD ARG 8 2HD ARG 8 1.833 -3.509 0.011 225 HE ARG 8 HE ARG 8 3.811 -4.672 0.562 226 1HH1 ARG 8 1HH1 ARG 8 4.538 -1.776 -1.191 227 2HH1 ARG 8 2HH1 ARG 8 6.249 -1.967 -1.029 228 1HH2 ARG 8 1HH2 ARG 8 6.034 -4.914 0.769 229 2HH2 ARG 8 2HH2 ARG 8 7.095 -3.733 0.074 230 H GLU 9 H GLU 9 1.752 -7.187 -3.860 231 HA GLU 9 HA GLU 9 0.374 -5.925 -6.044 232 1HB GLU 9 1HB GLU 9 0.957 -8.848 -5.425 233 2HB GLU 9 2HB GLU 9 0.481 -8.237 -7.009 234 1HG GLU 9 1HG GLU 9 2.649 -6.624 -6.125 235 2HG GLU 9 2HG GLU 9 3.106 -8.301 -5.829 236 H ARG 10 H ARG 10 -0.571 -7.937 -3.367 237 HA ARG 10 HA ARG 10 -3.318 -8.356 -4.257 238 1HB ARG 10 1HB ARG 10 -1.500 -9.187 -2.159 239 2HB ARG 10 2HB ARG 10 -3.024 -8.661 -1.449 240 1HG ARG 10 1HG ARG 10 -4.250 -10.323 -2.505 241 2HG ARG 10 2HG ARG 10 -3.106 -10.458 -3.843 242 1HD ARG 10 1HD ARG 10 -1.506 -11.631 -2.456 243 2HD ARG 10 2HD ARG 10 -2.476 -11.328 -1.001 244 HE ARG 10 HE ARG 10 -4.202 -12.585 -2.828 245 1HH1 ARG 10 1HH1 ARG 10 -1.227 -13.282 -1.182 246 2HH1 ARG 10 2HH1 ARG 10 -1.517 -14.987 -1.132 247 1HH2 ARG 10 1HH2 ARG 10 -4.569 -14.803 -2.758 248 2HH2 ARG 10 2HH2 ARG 10 -3.399 -15.846 -2.020 249 H ARG 11 H ARG 11 -1.489 -5.818 -2.860 250 HA ARG 11 HA ARG 11 -3.876 -4.543 -1.636 251 1HB ARG 11 1HB ARG 11 -0.922 -3.854 -1.734 252 2HB ARG 11 2HB ARG 11 -2.140 -2.910 -0.875 253 1HG ARG 11 1HG ARG 11 -1.395 -5.805 -0.332 254 2HG ARG 11 2HG ARG 11 -1.037 -4.436 0.704 255 1HD ARG 11 1HD ARG 11 -3.102 -4.542 1.648 256 2HD ARG 11 2HD ARG 11 -3.887 -4.556 0.065 257 HE ARG 11 HE ARG 11 -2.551 -7.074 0.625 258 1HH1 ARG 11 1HH1 ARG 11 -5.422 -5.195 1.163 259 2HH1 ARG 11 2HH1 ARG 11 -6.421 -6.583 1.423 260 1HH2 ARG 11 1HH2 ARG 11 -3.863 -8.868 0.965 261 2HH2 ARG 11 2HH2 ARG 11 -5.546 -8.650 1.312 262 H ALA 12 H ALA 12 -2.675 -4.791 -4.707 263 HA ALA 12 HA ALA 12 -2.441 -2.108 -5.665 264 1HB ALA 12 1HB ALA 12 -2.024 -4.208 -6.958 265 2HB ALA 12 2HB ALA 12 -3.755 -4.542 -6.948 266 3HB ALA 12 3HB ALA 12 -3.134 -3.137 -7.815 267 H GLU 13 H GLU 13 -5.191 -3.979 -4.582 268 HA GLU 13 HA GLU 13 -7.227 -2.192 -5.663 269 1HB GLU 13 1HB GLU 13 -7.196 -4.354 -3.525 270 2HB GLU 13 2HB GLU 13 -8.666 -3.569 -4.104 271 1HG GLU 13 1HG GLU 13 -7.884 -4.277 -6.465 272 2HG GLU 13 2HG GLU 13 -6.779 -5.366 -5.625 273 H LYS 14 H LYS 14 -5.371 -2.546 -2.669 274 HA LYS 14 HA LYS 14 -6.876 -0.474 -1.233 275 1HB LYS 14 1HB LYS 14 -4.217 -1.890 -0.803 276 2HB LYS 14 2HB LYS 14 -4.956 -0.803 0.375 277 1HG LYS 14 1HG LYS 14 -6.465 -3.170 -0.725 278 2HG LYS 14 2HG LYS 14 -5.379 -3.337 0.656 279 1HD LYS 14 1HD LYS 14 -6.677 -1.934 2.013 280 2HD LYS 14 2HD LYS 14 -7.466 -1.169 0.632 281 1HE LYS 14 1HE LYS 14 -8.358 -3.629 0.182 282 2HE LYS 14 2HE LYS 14 -8.061 -3.811 1.923 283 1HZ LYS 14 1HZ LYS 14 -9.264 -1.685 2.246 284 2HZ LYS 14 2HZ LYS 14 -9.680 -1.700 0.599 285 3HZ LYS 14 3HZ LYS 14 -10.250 -2.921 1.633 286 H GLN 15 H GLN 15 -3.932 -0.839 -3.070 287 HA GLN 15 HA GLN 15 -2.844 1.799 -2.712 288 1HB GLN 15 1HB GLN 15 -2.390 -0.703 -4.171 289 2HB GLN 15 2HB GLN 15 -1.951 0.694 -5.138 290 1HG GLN 15 1HG GLN 15 -0.258 1.331 -3.696 291 2HG GLN 15 2HG GLN 15 -1.070 0.641 -2.290 292 1HE2 GLN 15 2HE2 GLN 15 -1.351 -1.910 -2.542 293 2HE2 GLN 15 1HE2 GLN 15 0.035 -2.736 -3.069 294 H ALA 16 H ALA 16 -4.641 0.250 -5.384 295 HA ALA 16 HA ALA 16 -4.847 2.619 -6.998 296 1HB ALA 16 1HB ALA 16 -6.534 0.100 -6.772 297 2HB ALA 16 2HB ALA 16 -6.692 1.272 -8.080 298 3HB ALA 16 3HB ALA 16 -5.190 0.370 -7.880 299 H GLN 17 H GLN 17 -6.672 1.466 -4.214 300 HA GLN 17 HA GLN 17 -8.910 3.327 -4.650 301 1HB GLN 17 1HB GLN 17 -7.979 1.321 -2.633 302 2HB GLN 17 2HB GLN 17 -9.096 2.563 -2.067 303 1HG GLN 17 1HG GLN 17 -9.648 0.983 -4.578 304 2HG GLN 17 2HG GLN 17 -10.128 0.384 -2.991 305 1HE2 GLN 17 2HE2 GLN 17 -11.519 1.833 -5.521 306 2HE2 GLN 17 1HE2 GLN 17 -12.607 2.879 -4.745 307 H TRP 18 H TRP 18 -5.951 3.128 -2.776 308 HA TRP 18 HA TRP 18 -6.299 5.651 -1.364 309 1HB TRP 18 1HB TRP 18 -4.881 3.847 -0.505 310 2HB TRP 18 2HB TRP 18 -3.952 3.831 -1.987 311 HD1 TRP 18 HD1 TRP 18 -4.281 5.745 1.271 312 HE1 TRP 18 HE1 TRP 18 -2.411 7.535 1.352 313 HE3 TRP 18 HE3 TRP 18 -2.515 5.371 -3.436 314 HZ2 TRP 18 HZ2 TRP 18 -0.413 8.627 -0.378 315 HZ3 TRP 18 HZ3 TRP 18 -0.663 6.744 -4.215 316 HH2 TRP 18 HH2 TRP 18 0.411 8.362 -2.717 317 H LYS 19 H LYS 19 -4.411 4.502 -4.116 318 HA LYS 19 HA LYS 19 -3.098 6.913 -4.838 319 1HB LYS 19 1HB LYS 19 -4.053 4.486 -6.388 320 2HB LYS 19 2HB LYS 19 -3.080 5.755 -7.117 321 1HG LYS 19 1HG LYS 19 -1.257 5.342 -5.587 322 2HG LYS 19 2HG LYS 19 -2.233 4.199 -4.667 323 1HD LYS 19 1HD LYS 19 -2.223 2.601 -6.402 324 2HD LYS 19 2HD LYS 19 -1.720 3.786 -7.608 325 1HE LYS 19 1HE LYS 19 0.507 3.865 -6.756 326 2HE LYS 19 2HE LYS 19 0.042 3.036 -5.257 327 1HZ LYS 19 1HZ LYS 19 -0.622 1.112 -6.591 328 2HZ LYS 19 2HZ LYS 19 -0.083 1.894 -8.000 329 3HZ LYS 19 3HZ LYS 19 1.029 1.464 -6.793 330 H ALA 20 H ALA 20 -6.272 5.584 -5.611 331 HA ALA 20 HA ALA 20 -7.041 7.469 -7.578 332 1HB ALA 20 1HB ALA 20 -8.285 5.544 -5.730 333 2HB ALA 20 2HB ALA 20 -9.350 6.849 -6.248 334 3HB ALA 20 3HB ALA 20 -8.591 5.802 -7.448 335 H ALA 21 H ALA 21 -6.935 7.647 -4.072 336 HA ALA 21 HA ALA 21 -7.982 10.441 -4.222 337 1HB ALA 21 1HB ALA 21 -9.400 8.772 -3.021 338 2HB ALA 21 2HB ALA 21 -8.050 8.456 -1.931 339 3HB ALA 21 3HB ALA 21 -8.818 10.044 -1.943 340 H ASN 22 H ASN 22 -5.222 9.388 -4.505 341 HA ASN 22 HA ASN 22 -3.924 11.309 -2.688 342 1HB ASN 22 1HB ASN 22 -3.345 8.332 -2.608 343 2HB ASN 22 2HB ASN 22 -2.364 9.564 -1.819 344 1HD2 ASN 22 2HD2 ASN 22 -4.798 7.412 -1.212 345 2HD2 ASN 22 1HD2 ASN 22 -5.545 8.178 0.105 346 HA PRO 23 HA PRO 23 -1.932 10.380 -6.851 347 1HB PRO 23 1HB PRO 23 -2.721 12.647 -8.172 348 2HB PRO 23 2HB PRO 23 -3.654 11.137 -8.213 349 1HG PRO 23 1HG PRO 23 -4.114 13.602 -6.625 350 2HG PRO 23 2HG PRO 23 -5.283 12.499 -7.366 351 1HD PRO 23 1HD PRO 23 -4.639 12.500 -4.697 352 2HD PRO 23 2HD PRO 23 -5.287 11.096 -5.558 353 H LEU 24 H LEU 24 -2.410 13.138 -4.759 354 HA LEU 24 HA LEU 24 -0.197 14.774 -5.498 355 1HB LEU 24 1HB LEU 24 -0.733 15.872 -3.491 356 2HB LEU 24 2HB LEU 24 -2.210 14.947 -3.730 357 HG LEU 24 HG LEU 24 0.114 13.894 -2.084 358 1HD1 LEU 24 1HD1 LEU 24 -1.582 16.089 -1.460 359 2HD1 LEU 24 2HD1 LEU 24 -2.097 14.728 -0.464 360 3HD1 LEU 24 3HD1 LEU 24 -0.422 15.278 -0.408 361 1HD2 LEU 24 1HD2 LEU 24 -2.184 12.641 -3.039 362 2HD2 LEU 24 2HD2 LEU 24 -1.220 12.088 -1.671 363 3HD2 LEU 24 3HD2 LEU 24 -2.636 13.106 -1.402 364 H LEU 25 H LEU 25 -0.431 11.880 -3.531 365 HA LEU 25 HA LEU 25 2.501 11.852 -3.027 366 1HB LEU 25 1HB LEU 25 0.007 10.572 -1.949 367 2HB LEU 25 2HB LEU 25 1.510 9.655 -1.811 368 HG LEU 25 HG LEU 25 1.659 12.515 -1.021 369 1HD1 LEU 25 1HD1 LEU 25 -0.055 10.473 0.365 370 2HD1 LEU 25 2HD1 LEU 25 0.825 11.662 1.327 371 3HD1 LEU 25 3HD1 LEU 25 -0.350 12.195 0.125 372 1HD2 LEU 25 1HD2 LEU 25 2.841 9.872 -0.276 373 2HD2 LEU 25 2HD2 LEU 25 3.645 11.412 -0.583 374 3HD2 LEU 25 3HD2 LEU 25 2.821 11.137 0.952 375 H VAL 26 H VAL 26 1.334 11.660 -5.605 376 HA VAL 26 HA VAL 26 2.463 9.156 -6.618 377 HB VAL 26 HB VAL 26 -0.405 9.699 -6.027 378 1HG1 VAL 26 1HG1 VAL 26 0.448 8.649 -8.739 379 2HG1 VAL 26 2HG1 VAL 26 -1.161 8.398 -8.057 380 3HG1 VAL 26 3HG1 VAL 26 -0.590 10.035 -8.389 381 1HG2 VAL 26 1HG2 VAL 26 1.341 7.269 -6.502 382 2HG2 VAL 26 2HG2 VAL 26 0.583 7.800 -4.999 383 3HG2 VAL 26 3HG2 VAL 26 -0.407 7.134 -6.298 384 H GLY 27 H GLY 27 2.470 9.312 -9.082 385 1HA GLY 27 1HA GLY 27 2.780 10.574 -11.051 386 2HA GLY 27 2HA GLY 27 1.350 11.470 -10.540 387 H VAL 28 H VAL 28 1.887 13.041 -8.599 388 HA VAL 28 HA VAL 28 3.326 15.242 -9.273 389 HB VAL 28 HB VAL 28 2.427 13.939 -6.839 390 1HG1 VAL 28 1HG1 VAL 28 4.924 15.653 -6.674 391 2HG1 VAL 28 2HG1 VAL 28 3.888 15.286 -5.294 392 3HG1 VAL 28 3HG1 VAL 28 4.746 13.986 -6.124 393 1HG2 VAL 28 1HG2 VAL 28 2.795 16.808 -7.742 394 2HG2 VAL 28 2HG2 VAL 28 1.303 15.867 -7.766 395 3HG2 VAL 28 3HG2 VAL 28 2.012 16.357 -6.227 396 H SER 29 H SER 29 5.533 16.010 -8.825 397 HA SER 29 HA SER 29 7.573 14.019 -9.369 398 1HB SER 29 1HB SER 29 7.618 16.957 -8.626 399 2HB SER 29 2HB SER 29 9.056 16.054 -9.090 400 HG SER 29 HG SER 29 6.813 16.793 -10.608 401 H ALA 30 H ALA 30 6.413 13.077 -7.108 402 HA ALA 30 HA ALA 30 6.600 13.027 -4.660 403 1HB ALA 30 1HB ALA 30 8.955 11.857 -6.154 404 2HB ALA 30 2HB ALA 30 8.638 11.509 -4.455 405 3HB ALA 30 3HB ALA 30 7.460 11.043 -5.685 406 H LYS 31 H LYS 31 6.964 15.509 -4.513 407 HA LYS 31 HA LYS 31 9.705 16.018 -3.417 408 1HB LYS 31 1HB LYS 31 9.292 18.374 -4.317 409 2HB LYS 31 2HB LYS 31 9.511 17.130 -5.547 410 1HG LYS 31 1HG LYS 31 7.331 17.252 -6.251 411 2HG LYS 31 2HG LYS 31 6.720 17.558 -4.625 412 1HD LYS 31 1HD LYS 31 6.408 19.561 -5.980 413 2HD LYS 31 2HD LYS 31 7.641 19.879 -4.759 414 1HE LYS 31 1HE LYS 31 9.348 19.150 -6.578 415 2HE LYS 31 2HE LYS 31 8.012 19.407 -7.719 416 1HZ LYS 31 1HZ LYS 31 8.910 21.383 -5.688 417 2HZ LYS 31 2HZ LYS 31 9.320 21.444 -7.332 418 3HZ LYS 31 3HZ LYS 31 7.697 21.617 -6.855 419 HA PRO 32 HA PRO 32 7.613 17.455 0.145 420 1HB PRO 32 1HB PRO 32 9.105 19.625 0.910 421 2HB PRO 32 2HB PRO 32 9.664 17.950 1.096 422 1HG PRO 32 1HG PRO 32 10.354 19.953 -0.995 423 2HG PRO 32 2HG PRO 32 11.385 18.759 -0.191 424 1HD PRO 32 1HD PRO 32 10.383 18.424 -2.700 425 2HD PRO 32 2HD PRO 32 10.763 17.072 -1.610 426 H VAL 33 H VAL 33 5.747 18.124 -1.267 427 HA VAL 33 HA VAL 33 5.514 21.107 -1.495 428 HB VAL 33 HB VAL 33 5.503 19.893 -3.631 429 1HG1 VAL 33 1HG1 VAL 33 3.712 18.111 -2.104 430 2HG1 VAL 33 2HG1 VAL 33 3.178 18.448 -3.751 431 3HG1 VAL 33 3HG1 VAL 33 4.771 17.748 -3.467 432 1HG2 VAL 33 1HG2 VAL 33 2.777 20.892 -2.756 433 2HG2 VAL 33 2HG2 VAL 33 4.059 21.845 -3.500 434 3HG2 VAL 33 3HG2 VAL 33 3.231 20.600 -4.434 435 H ASN 34 H ASN 34 3.470 22.029 -0.838 436 HA ASN 34 HA ASN 34 2.014 20.370 1.169 437 1HB ASN 34 1HB ASN 34 2.934 23.103 0.908 438 2HB ASN 34 2HB ASN 34 1.199 23.083 1.220 439 1HD2 ASN 34 2HD2 ASN 34 0.473 22.352 3.300 440 2HD2 ASN 34 1HD2 ASN 34 1.543 21.961 4.558 441 H ARG 35 H ARG 35 1.218 19.546 -1.272 442 HA ARG 35 HA ARG 35 -0.780 21.022 -2.653 443 1HB ARG 35 1HB ARG 35 -0.400 18.052 -2.168 444 2HB ARG 35 2HB ARG 35 -1.483 18.722 -3.389 445 1HG ARG 35 1HG ARG 35 1.301 19.756 -3.404 446 2HG ARG 35 2HG ARG 35 1.093 18.079 -3.907 447 1HD ARG 35 1HD ARG 35 -0.598 20.331 -5.036 448 2HD ARG 35 2HD ARG 35 0.912 19.787 -5.794 449 HE ARG 35 HE ARG 35 -0.708 17.502 -5.208 450 1HH1 ARG 35 1HH1 ARG 35 -0.551 20.262 -7.305 451 2HH1 ARG 35 2HH1 ARG 35 -1.409 19.484 -8.590 452 1HH2 ARG 35 1HH2 ARG 35 -1.823 16.497 -6.883 453 2HH2 ARG 35 2HH2 ARG 35 -2.126 17.362 -8.353 454 HA PRO 36 HA PRO 36 -3.728 20.895 0.766 455 1HB PRO 36 1HB PRO 36 -5.512 22.644 -0.355 456 2HB PRO 36 2HB PRO 36 -4.041 23.171 0.487 457 1HG PRO 36 1HG PRO 36 -4.562 22.924 -2.435 458 2HG PRO 36 2HG PRO 36 -3.666 24.169 -1.550 459 1HD PRO 36 1HD PRO 36 -2.460 22.149 -2.921 460 2HD PRO 36 2HD PRO 36 -1.738 22.930 -1.497 Start of MODEL 13 1 1H5* G 1 1H5* G 1 12.570 -17.903 1.097 2 2H5* G 1 2H5* G 1 12.498 -16.691 2.392 3 H4* G 1 H4* G 1 11.658 -19.603 2.588 4 H3* G 1 H3* G 1 10.103 -17.006 2.399 5 H2* G 1 H2* G 1 8.520 -17.824 3.957 6 2HO* G 1 2HO* G 1 7.935 -19.823 3.593 7 H1* G 1 H1* G 1 10.310 -19.230 5.529 8 H8 G 1 H8 G 1 11.719 -15.851 4.710 9 H1 G 1 H1 G 1 7.224 -15.743 9.297 10 1H2 G 1 1H2 G 1 5.999 -17.636 9.152 11 2H2 G 1 2H2 G 1 6.828 -19.080 8.615 12 1H5* C 2 1H5* C 2 6.055 -17.596 0.794 13 2H5* C 2 2H5* C 2 6.800 -16.353 1.821 14 H4* C 2 H4* C 2 4.671 -18.357 2.619 15 H3* C 2 H3* C 2 4.728 -15.350 2.262 16 H2* C 2 H2* C 2 3.286 -15.081 4.097 17 2HO* C 2 2HO* C 2 2.330 -17.064 5.054 18 H1* C 2 H1* C 2 4.327 -17.137 5.663 19 1H4 C 2 1H4 C 2 7.138 -12.028 8.111 20 2H4 C 2 2H4 C 2 7.750 -11.534 6.548 21 H5 C 2 H5 C 2 7.898 -13.258 4.771 22 H6 C 2 H6 C 2 7.085 -15.502 4.125 23 1H5* C 3 1H5* C 3 0.422 -13.509 1.497 24 2H5* C 3 2H5* C 3 1.666 -12.347 1.994 25 H4* C 3 H4* C 3 -0.029 -14.156 3.715 26 H3* C 3 H3* C 3 0.585 -11.202 3.551 27 H2* C 3 H2* C 3 0.397 -10.982 5.872 28 2HO* C 3 2HO* C 3 -0.386 -12.775 7.166 29 H1* C 3 H1* C 3 1.549 -13.417 6.549 30 1H4 C 3 1H4 C 3 6.021 -8.879 7.152 31 2H4 C 3 2H4 C 3 6.525 -9.191 5.507 32 H5 C 3 H5 C 3 5.369 -10.773 4.081 33 H6 C 3 H6 C 3 3.537 -12.332 3.900 34 1H5* C 4 1H5* C 4 -3.850 -10.140 4.871 35 2H5* C 4 2H5* C 4 -2.091 -10.085 4.668 36 H4* C 4 H4* C 4 -3.574 -9.809 7.301 37 H3* C 4 H3* C 4 -2.290 -7.785 5.440 38 H2* C 4 H2* C 4 -1.601 -6.542 7.313 39 2HO* C 4 2HO* C 4 -3.718 -7.851 8.545 40 H1* C 4 H1* C 4 -0.983 -8.735 8.908 41 1H4 C 4 1H4 C 4 4.099 -6.169 5.757 42 2H4 C 4 2H4 C 4 4.554 -7.849 5.640 43 H5 C 4 H5 C 4 2.165 -8.761 4.654 44 H6 C 4 H6 C 4 0.034 -9.321 5.530 45 1H5* U 5 1H5* U 5 -4.556 -5.790 8.091 46 2H5* U 5 2H5* U 5 -5.540 -4.434 7.498 47 H4* U 5 H4* U 5 -4.114 -3.650 9.291 48 H3* U 5 H3* U 5 -3.189 -2.739 6.542 49 H2* U 5 H2* U 5 -1.477 -1.523 7.591 50 2HO* U 5 2HO* U 5 -3.251 -1.538 9.750 51 H1* U 5 H1* U 5 -1.119 -3.342 9.719 52 H3 U 5 H3 U 5 2.732 -2.463 7.402 53 H5 U 5 H5 U 5 0.861 -5.568 5.321 54 H6 U 5 H6 U 5 -1.114 -5.107 6.596 55 1H5* G 6 1H5* G 6 -2.380 -0.079 7.604 56 2H5* G 6 2H5* G 6 -2.755 1.426 8.459 57 H4* G 6 H4* G 6 -2.019 2.747 6.713 58 H3* G 6 H3* G 6 -2.705 0.421 4.876 59 H2* G 6 H2* G 6 -1.129 1.214 3.347 60 2HO* G 6 2HO* G 6 -0.687 3.278 3.086 61 H1* G 6 H1* G 6 0.673 2.223 5.271 62 H8 G 6 H8 G 6 -0.876 -1.315 5.245 63 H1 G 6 H1 G 6 5.023 -0.840 2.726 64 1H2 G 6 1H2 G 6 5.526 1.329 2.421 65 2H2 G 6 2H2 G 6 4.779 2.498 3.496 66 1H5* A 7 1H5* A 7 -4.668 1.570 0.801 67 2H5* A 7 2H5* A 7 -3.607 0.147 0.810 68 H4* A 7 H4* A 7 -2.918 1.620 -0.978 69 H3* A 7 H3* A 7 -1.055 1.712 1.421 70 H2* A 7 H2* A 7 0.316 3.216 0.207 71 2HO* A 7 2HO* A 7 -0.682 3.406 -2.187 72 H1* A 7 H1* A 7 -1.793 4.450 -1.154 73 H8 A 7 H8 A 7 -2.700 4.536 2.430 74 1H6 A 7 1H6 A 7 1.428 9.022 3.303 75 2H6 A 7 2H6 A 7 -0.203 8.568 3.743 76 H2 A 7 H2 A 7 1.949 7.458 -0.901 77 1H5* A 8 1H5* A 8 0.900 0.920 -1.598 78 2H5* A 8 2H5* A 8 2.272 -0.174 -1.871 79 H4* A 8 H4* A 8 3.097 2.050 -2.160 80 H3* A 8 H3* A 8 3.777 0.886 0.561 81 H2* A 8 H2* A 8 4.983 2.846 1.099 82 2HO* A 8 2HO* A 8 5.845 4.144 -0.362 83 H1* A 8 H1* A 8 3.191 4.604 -0.154 84 H8 A 8 H8 A 8 1.129 2.146 1.702 85 1H6 A 8 1H6 A 8 1.539 3.933 6.251 86 2H6 A 8 2H6 A 8 2.141 5.480 6.803 87 H2 A 8 H2 A 8 5.123 6.776 3.686 88 1H5* A 9 2H5* A 9 8.382 -0.170 -2.393 89 2H5* A 9 1H5* A 9 7.334 0.614 -1.191 90 H4* A 9 H4* A 9 9.391 1.819 -2.655 91 H3* A 9 H3* A 9 7.050 2.929 -1.088 92 H2* A 9 H2* A 9 7.649 5.105 -1.799 93 2HO* A 9 2HO* A 9 9.635 5.474 -2.898 94 H1* A 9 H1* A 9 8.358 4.348 -4.394 95 H8 A 9 H8 A 9 5.873 5.388 -1.986 96 1H6 A 9 1H6 A 9 1.327 4.559 -5.695 97 2H6 A 9 2H6 A 9 2.029 6.134 -5.405 98 H2 A 9 H2 A 9 5.107 2.880 -7.842 99 1H5* A 10 1H5* A 10 9.890 1.389 3.803 100 2H5* A 10 2H5* A 10 8.245 1.824 3.299 101 H4* A 10 H4* A 10 10.199 4.057 3.547 102 H3* A 10 H3* A 10 9.177 2.439 5.884 103 H2* A 10 H2* A 10 8.664 4.391 7.083 104 2HO* A 10 2HO* A 10 9.646 6.268 5.361 105 H1* A 10 H1* A 10 7.777 5.907 4.921 106 H8 A 10 H8 A 10 6.073 2.955 4.001 107 1H6 A 10 1H6 A 10 2.836 2.338 8.281 108 2H6 A 10 2H6 A 10 1.943 3.801 7.933 109 H2 A 10 H2 A 10 5.772 6.165 9.555 110 1H5* A 11 1H5* A 11 10.516 4.776 8.968 111 2H5* A 11 2H5* A 11 11.113 3.431 9.969 112 H4* A 11 H4* A 11 8.787 4.605 10.490 113 H3* A 11 H3* A 11 9.408 1.645 10.576 114 H2* A 11 H2* A 11 7.160 1.169 11.092 115 2HO* A 11 2HO* A 11 6.560 3.901 11.433 116 H1* A 11 H1* A 11 6.015 3.124 9.503 117 H8 A 11 H8 A 11 8.784 1.433 7.587 118 1H6 A 11 1H6 A 11 4.984 -3.149 6.366 119 2H6 A 11 2H6 A 11 5.760 -1.988 5.315 120 H2 A 11 H2 A 11 2.812 -0.292 9.209 121 1H5* G 12 1H5* G 12 9.587 -1.258 13.358 122 2H5* G 12 2H5* G 12 9.376 -0.298 11.882 123 H4* G 12 H4* G 12 7.201 0.188 13.739 124 H3* G 12 H3* G 12 7.753 -2.673 12.937 125 H2* G 12 H2* G 12 5.428 -2.980 12.596 126 2HO* G 12 2HO* G 12 4.305 -2.082 14.166 127 H1* G 12 H1* G 12 5.013 -0.465 11.441 128 H8 G 12 H8 G 12 7.992 -1.366 9.673 129 H1 G 12 H1 G 12 3.254 -5.465 8.252 130 1H2 G 12 1H2 G 12 1.740 -5.447 9.884 131 2H2 G 12 2H2 G 12 1.583 -4.018 10.882 132 1H5* G 13 2H5* G 13 5.190 -3.908 17.357 133 2H5* G 13 1H5* G 13 6.165 -4.127 15.890 134 H4* G 13 H4* G 13 3.186 -4.612 16.200 135 H3* G 13 H3* G 13 5.569 -6.389 15.609 136 H2* G 13 H2* G 13 4.155 -7.740 14.298 137 2HO* G 13 2HO* G 13 1.752 -7.051 14.431 138 H1* G 13 H1* G 13 2.540 -5.629 13.353 139 H8 G 13 H8 G 13 6.081 -4.641 12.822 140 H1 G 13 H1 G 13 4.027 -9.012 8.584 141 1H2 G 13 1H2 G 13 1.964 -9.665 9.146 142 2H2 G 13 2H2 G 13 1.507 -9.609 10.833 143 1H5* G 14 1H5* G 14 1.351 -8.525 16.692 144 2H5* G 14 2H5* G 14 2.012 -9.757 17.792 145 H4* G 14 H4* G 14 0.441 -10.746 16.139 146 H3* G 14 H3* G 14 3.357 -11.515 15.843 147 H2* G 14 H2* G 14 2.706 -12.982 14.097 148 2HO* G 14 2HO* G 14 0.322 -13.136 13.687 149 H1* G 14 H1* G 14 0.806 -11.264 12.997 150 H8 G 14 H8 G 14 3.734 -9.126 13.755 151 H1 G 14 H1 G 14 4.704 -12.983 8.691 152 1H2 G 14 1H2 G 14 2.667 -14.161 8.401 153 2H2 G 14 2H2 G 14 2.287 -14.913 9.934 154 1H5* C 15 1H5* C 15 1.186 -14.808 15.661 155 2H5* C 15 2H5* C 15 1.573 -16.037 16.890 156 H4* C 15 H4* C 15 1.493 -17.265 14.876 157 H3* C 15 H3* C 15 4.349 -16.475 15.510 158 H2* C 15 H2* C 15 5.047 -17.634 13.578 159 2HO* C 15 2HO* C 15 4.039 -19.354 12.816 160 H1* C 15 H1* C 15 2.740 -17.059 12.064 161 1H4 C 15 1H4 C 15 7.352 -13.435 9.659 162 2H4 C 15 2H4 C 15 7.482 -12.522 11.156 163 H5 C 15 H5 C 15 5.659 -12.689 12.812 164 H6 C 15 H6 C 15 3.953 -14.127 13.700 165 2H ASP 2 2H ASP 2 10.185 -12.953 -1.558 166 1H ASP 2 1H ASP 2 10.179 -14.277 -0.499 167 3H ASP 2 3H ASP 2 11.514 -13.229 -0.537 168 HA ASP 2 HA ASP 2 10.324 -12.595 1.386 169 1HB ASP 2 1HB ASP 2 9.434 -10.811 -0.897 170 2HB ASP 2 2HB ASP 2 9.746 -10.326 0.768 171 H ALA 3 H ALA 3 8.002 -11.038 1.435 172 HA ALA 3 HA ALA 3 5.763 -12.685 0.426 173 1HB ALA 3 1HB ALA 3 6.373 -12.287 3.371 174 2HB ALA 3 2HB ALA 3 4.930 -13.074 2.732 175 3HB ALA 3 3HB ALA 3 6.514 -13.806 2.489 176 H GLN 4 H GLN 4 6.756 -9.971 2.507 177 HA GLN 4 HA GLN 4 4.209 -8.617 2.393 178 1HB GLN 4 1HB GLN 4 6.042 -8.262 4.077 179 2HB GLN 4 2HB GLN 4 7.010 -7.517 2.810 180 1HG GLN 4 1HG GLN 4 5.257 -5.810 2.472 181 2HG GLN 4 2HG GLN 4 4.302 -6.540 3.760 182 1HE2 GLN 4 2HE2 GLN 4 5.537 -3.801 3.686 183 2HE2 GLN 4 1HE2 GLN 4 6.548 -3.725 5.046 184 H THR 5 H THR 5 7.298 -7.993 0.731 185 HA THR 5 HA THR 5 6.456 -5.981 -1.051 186 HB THR 5 HB THR 5 8.260 -8.359 -1.641 187 HG1 THR 5 HG1 THR 5 9.424 -7.541 -0.114 188 1HG2 THR 5 1HG2 THR 5 7.923 -5.604 -2.813 189 2HG2 THR 5 2HG2 THR 5 9.421 -6.519 -3.014 190 3HG2 THR 5 3HG2 THR 5 7.903 -7.163 -3.643 191 H ARG 6 H ARG 6 6.011 -9.469 -1.134 192 HA ARG 6 HA ARG 6 4.720 -9.648 -3.724 193 1HB ARG 6 1HB ARG 6 5.420 -11.303 -1.447 194 2HB ARG 6 2HB ARG 6 3.755 -11.632 -1.944 195 1HG ARG 6 1HG ARG 6 5.014 -11.530 -4.373 196 2HG ARG 6 2HG ARG 6 6.299 -12.192 -3.362 197 1HD ARG 6 1HD ARG 6 3.471 -13.304 -3.440 198 2HD ARG 6 2HD ARG 6 4.837 -13.979 -4.351 199 HE ARG 6 HE ARG 6 5.743 -13.711 -1.706 200 1HH1 ARG 6 1HH1 ARG 6 3.224 -15.388 -3.407 201 2HH1 ARG 6 2HH1 ARG 6 3.186 -16.708 -2.289 202 1HH2 ARG 6 1HH2 ARG 6 5.685 -15.431 -0.259 203 2HH2 ARG 6 2HH2 ARG 6 4.571 -16.733 -0.515 204 H ARG 7 H ARG 7 3.633 -9.466 -0.350 205 HA ARG 7 HA ARG 7 0.853 -9.590 -0.794 206 1HB ARG 7 1HB ARG 7 1.738 -9.789 1.408 207 2HB ARG 7 2HB ARG 7 2.642 -8.289 1.260 208 1HG ARG 7 1HG ARG 7 0.232 -7.221 0.973 209 2HG ARG 7 2HG ARG 7 -0.280 -8.687 1.806 210 1HD ARG 7 1HD ARG 7 0.360 -7.780 3.775 211 2HD ARG 7 2HD ARG 7 2.021 -7.640 3.170 212 HE ARG 7 HE ARG 7 0.014 -5.488 3.164 213 1HH1 ARG 7 1HH1 ARG 7 2.952 -6.754 1.827 214 2HH1 ARG 7 2HH1 ARG 7 3.501 -5.218 1.276 215 1HH2 ARG 7 1HH2 ARG 7 0.733 -3.494 2.445 216 2HH2 ARG 7 2HH2 ARG 7 2.252 -3.374 1.623 217 H ARG 8 H ARG 8 3.112 -6.889 -1.028 218 HA ARG 8 HA ARG 8 1.320 -4.689 -1.230 219 1HB ARG 8 1HB ARG 8 3.953 -4.943 -1.217 220 2HB ARG 8 2HB ARG 8 3.767 -5.004 -2.967 221 1HG ARG 8 1HG ARG 8 4.078 -2.714 -2.561 222 2HG ARG 8 2HG ARG 8 2.325 -2.862 -2.667 223 1HD ARG 8 1HD ARG 8 3.068 -1.498 -0.690 224 2HD ARG 8 2HD ARG 8 2.159 -2.943 -0.214 225 HE ARG 8 HE ARG 8 4.148 -3.814 0.715 226 1HH1 ARG 8 1HH1 ARG 8 4.840 -1.263 -1.531 227 2HH1 ARG 8 2HH1 ARG 8 6.534 -1.258 -1.178 228 1HH2 ARG 8 1HH2 ARG 8 6.351 -3.797 1.163 229 2HH2 ARG 8 2HH2 ARG 8 7.386 -2.682 0.336 230 H GLU 9 H GLU 9 2.452 -6.972 -3.693 231 HA GLU 9 HA GLU 9 1.085 -5.753 -5.901 232 1HB GLU 9 1HB GLU 9 1.785 -8.654 -5.296 233 2HB GLU 9 2HB GLU 9 1.320 -8.052 -6.888 234 1HG GLU 9 1HG GLU 9 3.417 -6.387 -5.828 235 2HG GLU 9 2HG GLU 9 3.918 -8.075 -5.737 236 H ARG 10 H ARG 10 0.123 -7.829 -3.281 237 HA ARG 10 HA ARG 10 -2.559 -8.354 -4.310 238 1HB ARG 10 1HB ARG 10 -0.817 -9.134 -2.125 239 2HB ARG 10 2HB ARG 10 -2.409 -8.699 -1.503 240 1HG ARG 10 1HG ARG 10 -3.497 -10.345 -2.784 241 2HG ARG 10 2HG ARG 10 -2.139 -10.498 -3.900 242 1HD ARG 10 1HD ARG 10 -0.866 -11.767 -2.376 243 2HD ARG 10 2HD ARG 10 -1.802 -11.197 -0.981 244 HE ARG 10 HE ARG 10 -3.592 -12.511 -2.761 245 1HH1 ARG 10 1HH1 ARG 10 -0.904 -13.193 -0.673 246 2HH1 ARG 10 2HH1 ARG 10 -1.421 -14.812 -0.344 247 1HH2 ARG 10 1HH2 ARG 10 -4.253 -14.614 -2.327 248 2HH2 ARG 10 2HH2 ARG 10 -3.307 -15.613 -1.276 249 H ARG 11 H ARG 11 -0.909 -5.761 -2.762 250 HA ARG 11 HA ARG 11 -3.376 -4.632 -1.580 251 1HB ARG 11 1HB ARG 11 -0.494 -3.706 -1.757 252 2HB ARG 11 2HB ARG 11 -1.769 -2.827 -0.922 253 1HG ARG 11 1HG ARG 11 -0.768 -5.612 -0.266 254 2HG ARG 11 2HG ARG 11 -0.532 -4.161 0.700 255 1HD ARG 11 1HD ARG 11 -2.529 -4.482 1.730 256 2HD ARG 11 2HD ARG 11 -3.361 -4.539 0.169 257 HE ARG 11 HE ARG 11 -1.898 -6.974 0.530 258 1HH1 ARG 11 1HH1 ARG 11 -4.678 -5.263 1.712 259 2HH1 ARG 11 2HH1 ARG 11 -5.529 -6.707 2.142 260 1HH2 ARG 11 1HH2 ARG 11 -3.015 -8.843 1.094 261 2HH2 ARG 11 2HH2 ARG 11 -4.594 -8.722 1.795 262 H ALA 12 H ALA 12 -2.101 -4.785 -4.672 263 HA ALA 12 HA ALA 12 -2.160 -2.116 -5.655 264 1HB ALA 12 1HB ALA 12 -1.570 -4.268 -6.872 265 2HB ALA 12 2HB ALA 12 -3.297 -4.613 -6.982 266 3HB ALA 12 3HB ALA 12 -2.627 -3.199 -7.795 267 H GLU 13 H GLU 13 -4.730 -4.244 -4.587 268 HA GLU 13 HA GLU 13 -6.922 -2.658 -5.677 269 1HB GLU 13 1HB GLU 13 -6.767 -4.737 -3.462 270 2HB GLU 13 2HB GLU 13 -8.255 -4.170 -4.220 271 1HG GLU 13 1HG GLU 13 -6.861 -4.872 -6.430 272 2HG GLU 13 2HG GLU 13 -6.181 -6.016 -5.273 273 H LYS 14 H LYS 14 -5.056 -2.832 -2.669 274 HA LYS 14 HA LYS 14 -6.755 -0.909 -1.244 275 1HB LYS 14 1HB LYS 14 -3.940 -1.982 -0.781 276 2HB LYS 14 2HB LYS 14 -4.894 -1.094 0.409 277 1HG LYS 14 1HG LYS 14 -5.778 -3.700 -0.857 278 2HG LYS 14 2HG LYS 14 -4.971 -3.589 0.709 279 1HD LYS 14 1HD LYS 14 -6.786 -2.105 1.522 280 2HD LYS 14 2HD LYS 14 -7.605 -2.277 -0.031 281 1HE LYS 14 1HE LYS 14 -7.025 -4.915 0.829 282 2HE LYS 14 2HE LYS 14 -7.687 -4.061 2.238 283 1HZ LYS 14 1HZ LYS 14 -8.864 -3.963 -0.489 284 2HZ LYS 14 2HZ LYS 14 -9.427 -4.975 0.756 285 3HZ LYS 14 3HZ LYS 14 -9.517 -3.286 0.923 286 H GLN 15 H GLN 15 -3.810 -0.977 -3.115 287 HA GLN 15 HA GLN 15 -2.980 1.758 -2.735 288 1HB GLN 15 1HB GLN 15 -2.257 -0.686 -4.159 289 2HB GLN 15 2HB GLN 15 -1.994 0.726 -5.168 290 1HG GLN 15 1HG GLN 15 -0.411 1.635 -3.722 291 2HG GLN 15 2HG GLN 15 -1.074 0.794 -2.322 292 1HE2 GLN 15 2HE2 GLN 15 -0.916 -1.742 -2.546 293 2HE2 GLN 15 1HE2 GLN 15 0.549 -2.337 -3.162 294 H ALA 16 H ALA 16 -4.630 0.038 -5.389 295 HA ALA 16 HA ALA 16 -5.055 2.402 -6.995 296 1HB ALA 16 1HB ALA 16 -5.085 0.063 -7.829 297 2HB ALA 16 2HB ALA 16 -6.537 -0.253 -6.878 298 3HB ALA 16 3HB ALA 16 -6.594 0.891 -8.220 299 H GLN 17 H GLN 17 -6.812 0.949 -4.301 300 HA GLN 17 HA GLN 17 -9.230 2.558 -4.751 301 1HB GLN 17 1HB GLN 17 -8.125 0.684 -2.673 302 2HB GLN 17 2HB GLN 17 -9.490 1.710 -2.242 303 1HG GLN 17 1HG GLN 17 -9.904 0.493 -4.847 304 2HG GLN 17 2HG GLN 17 -9.607 -0.737 -3.618 305 1HE2 GLN 17 2HE2 GLN 17 -11.320 2.440 -3.455 306 2HE2 GLN 17 1HE2 GLN 17 -12.760 1.792 -2.834 307 H TRP 18 H TRP 18 -6.279 2.676 -2.873 308 HA TRP 18 HA TRP 18 -6.955 5.087 -1.369 309 1HB TRP 18 1HB TRP 18 -5.338 3.428 -0.549 310 2HB TRP 18 2HB TRP 18 -4.391 3.593 -2.012 311 HD1 TRP 18 HD1 TRP 18 -5.015 5.311 1.307 312 HE1 TRP 18 HE1 TRP 18 -3.408 7.326 1.498 313 HE3 TRP 18 HE3 TRP 18 -3.130 5.366 -3.367 314 HZ2 TRP 18 HZ2 TRP 18 -1.549 8.752 -0.140 315 HZ3 TRP 18 HZ3 TRP 18 -1.463 7.010 -4.047 316 HH2 TRP 18 HH2 TRP 18 -0.655 8.693 -2.463 317 H LYS 19 H LYS 19 -4.881 4.265 -4.104 318 HA LYS 19 HA LYS 19 -3.890 6.853 -4.723 319 1HB LYS 19 1HB LYS 19 -4.420 4.330 -6.314 320 2HB LYS 19 2HB LYS 19 -3.674 5.746 -7.037 321 1HG LYS 19 1HG LYS 19 -1.863 5.671 -5.380 322 2HG LYS 19 2HG LYS 19 -2.603 4.256 -4.633 323 1HD LYS 19 1HD LYS 19 -1.277 3.067 -6.039 324 2HD LYS 19 2HD LYS 19 -2.475 3.484 -7.264 325 1HE LYS 19 1HE LYS 19 -1.121 5.095 -8.235 326 2HE LYS 19 2HE LYS 19 -0.301 5.472 -6.706 327 1HZ LYS 19 1HZ LYS 19 0.670 3.215 -6.778 328 2HZ LYS 19 2HZ LYS 19 0.009 3.002 -8.329 329 3HZ LYS 19 3HZ LYS 19 1.186 4.196 -8.067 330 H ALA 20 H ALA 20 -6.848 5.146 -5.588 331 HA ALA 20 HA ALA 20 -7.787 6.932 -7.576 332 1HB ALA 20 1HB ALA 20 -8.948 4.972 -5.653 333 2HB ALA 20 2HB ALA 20 -10.058 6.044 -6.505 334 3HB ALA 20 3HB ALA 20 -8.998 4.967 -7.417 335 H ALA 21 H ALA 21 -7.796 7.106 -4.067 336 HA ALA 21 HA ALA 21 -9.165 9.757 -4.252 337 1HB ALA 21 1HB ALA 21 -10.154 7.602 -3.039 338 2HB ALA 21 2HB ALA 21 -9.087 8.133 -1.739 339 3HB ALA 21 3HB ALA 21 -10.358 9.205 -2.329 340 H ASN 22 H ASN 22 -6.296 9.044 -4.417 341 HA ASN 22 HA ASN 22 -5.335 11.046 -2.474 342 1HB ASN 22 1HB ASN 22 -4.398 8.167 -2.523 343 2HB ASN 22 2HB ASN 22 -3.571 9.462 -1.660 344 1HD2 ASN 22 2HD2 ASN 22 -5.695 7.010 -1.138 345 2HD2 ASN 22 1HD2 ASN 22 -6.571 7.642 0.172 346 HA PRO 23 HA PRO 23 -3.096 10.641 -6.613 347 1HB PRO 23 1HB PRO 23 -4.135 12.879 -7.812 348 2HB PRO 23 2HB PRO 23 -4.852 11.266 -8.003 349 1HG PRO 23 1HG PRO 23 -5.687 13.510 -6.238 350 2HG PRO 23 2HG PRO 23 -6.678 12.358 -7.148 351 1HD PRO 23 1HD PRO 23 -6.210 12.153 -4.470 352 2HD PRO 23 2HD PRO 23 -6.546 10.754 -5.505 353 H LEU 24 H LEU 24 -4.044 13.132 -4.373 354 HA LEU 24 HA LEU 24 -2.018 15.093 -4.828 355 1HB LEU 24 1HB LEU 24 -2.875 15.987 -2.848 356 2HB LEU 24 2HB LEU 24 -4.181 14.879 -3.249 357 HG LEU 24 HG LEU 24 -1.865 14.087 -1.454 358 1HD1 LEU 24 1HD1 LEU 24 -3.449 16.094 -0.748 359 2HD1 LEU 24 2HD1 LEU 24 -4.561 14.779 -0.368 360 3HD1 LEU 24 3HD1 LEU 24 -2.982 14.852 0.416 361 1HD2 LEU 24 1HD2 LEU 24 -3.886 12.582 -2.669 362 2HD2 LEU 24 2HD2 LEU 24 -2.923 12.077 -1.282 363 3HD2 LEU 24 3HD2 LEU 24 -4.490 12.853 -1.039 364 H LEU 25 H LEU 25 -2.033 12.034 -3.119 365 HA LEU 25 HA LEU 25 0.821 12.366 -2.331 366 1HB LEU 25 1HB LEU 25 -1.545 10.690 -1.524 367 2HB LEU 25 2HB LEU 25 0.076 10.055 -1.218 368 HG LEU 25 HG LEU 25 -0.511 12.877 -0.412 369 1HD1 LEU 25 1HD1 LEU 25 -2.321 11.044 0.355 370 2HD1 LEU 25 2HD1 LEU 25 -1.083 10.725 1.571 371 3HD1 LEU 25 3HD1 LEU 25 -1.783 12.338 1.428 372 1HD2 LEU 25 1HD2 LEU 25 1.141 10.600 0.730 373 2HD2 LEU 25 2HD2 LEU 25 1.755 11.989 -0.169 374 3HD2 LEU 25 3HD2 LEU 25 1.045 12.215 1.430 375 H VAL 26 H VAL 26 -0.200 12.027 -5.023 376 HA VAL 26 HA VAL 26 1.264 9.570 -5.817 377 HB VAL 26 HB VAL 26 -1.618 10.122 -5.801 378 1HG1 VAL 26 1HG1 VAL 26 -0.290 9.462 -8.442 379 2HG1 VAL 26 2HG1 VAL 26 -1.974 9.064 -8.099 380 3HG1 VAL 26 3HG1 VAL 26 -1.448 10.749 -8.095 381 1HG2 VAL 26 1HG2 VAL 26 -0.227 8.080 -5.017 382 2HG2 VAL 26 2HG2 VAL 26 -1.760 7.771 -5.835 383 3HG2 VAL 26 3HG2 VAL 26 -0.238 7.598 -6.715 384 H GLY 27 H GLY 27 2.604 10.099 -7.527 385 1HA GLY 27 1HA GLY 27 3.580 11.390 -9.230 386 2HA GLY 27 2HA GLY 27 1.926 11.738 -9.738 387 H VAL 28 H VAL 28 2.917 12.542 -6.536 388 HA VAL 28 HA VAL 28 2.532 15.430 -7.078 389 HB VAL 28 HB VAL 28 1.572 13.875 -5.176 390 1HG1 VAL 28 1HG1 VAL 28 4.135 13.382 -4.601 391 2HG1 VAL 28 2HG1 VAL 28 3.937 14.840 -3.628 392 3HG1 VAL 28 3HG1 VAL 28 2.901 13.442 -3.341 393 1HG2 VAL 28 1HG2 VAL 28 2.341 16.700 -5.275 394 2HG2 VAL 28 2HG2 VAL 28 0.828 15.966 -4.747 395 3HG2 VAL 28 3HG2 VAL 28 2.183 16.095 -3.626 396 H SER 29 H SER 29 4.223 16.350 -4.969 397 HA SER 29 HA SER 29 6.765 16.521 -6.344 398 1HB SER 29 1HB SER 29 7.324 17.609 -4.014 399 2HB SER 29 2HB SER 29 6.180 18.407 -5.089 400 HG SER 29 HG SER 29 5.652 16.753 -2.848 401 H ALA 30 H ALA 30 6.597 13.883 -6.174 402 HA ALA 30 HA ALA 30 8.675 13.130 -4.212 403 1HB ALA 30 1HB ALA 30 5.811 12.185 -4.256 404 2HB ALA 30 2HB ALA 30 7.079 11.103 -3.678 405 3HB ALA 30 3HB ALA 30 6.800 12.645 -2.868 406 H LYS 31 H LYS 31 8.942 13.369 -6.946 407 HA LYS 31 HA LYS 31 8.711 10.588 -8.027 408 1HB LYS 31 1HB LYS 31 9.010 13.338 -9.256 409 2HB LYS 31 2HB LYS 31 9.100 11.853 -10.205 410 1HG LYS 31 1HG LYS 31 6.764 12.351 -8.370 411 2HG LYS 31 2HG LYS 31 6.794 13.049 -9.989 412 1HD LYS 31 1HD LYS 31 7.441 10.142 -9.685 413 2HD LYS 31 2HD LYS 31 5.753 10.642 -9.570 414 1HE LYS 31 1HE LYS 31 7.486 11.590 -11.858 415 2HE LYS 31 2HE LYS 31 6.637 10.032 -11.931 416 1HZ LYS 31 1HZ LYS 31 5.380 12.652 -11.301 417 2HZ LYS 31 2HZ LYS 31 5.247 11.831 -12.783 418 3HZ LYS 31 3HZ LYS 31 4.578 11.159 -11.372 419 HA PRO 32 HA PRO 32 13.186 10.860 -7.239 420 1HB PRO 32 1HB PRO 32 13.566 8.156 -7.053 421 2HB PRO 32 2HB PRO 32 13.001 9.145 -5.693 422 1HG PRO 32 1HG PRO 32 11.464 7.371 -7.512 423 2HG PRO 32 2HG PRO 32 11.247 7.678 -5.782 424 1HD PRO 32 1HD PRO 32 9.698 8.793 -7.755 425 2HD PRO 32 2HD PRO 32 9.930 9.504 -6.144 426 H VAL 33 H VAL 33 14.436 11.154 -9.051 427 HA VAL 33 HA VAL 33 13.882 9.468 -11.459 428 HB VAL 33 HB VAL 33 15.233 12.159 -11.070 429 1HG1 VAL 33 1HG1 VAL 33 14.869 10.370 -13.448 430 2HG1 VAL 33 2HG1 VAL 33 14.764 12.116 -13.680 431 3HG1 VAL 33 3HG1 VAL 33 16.236 11.401 -13.022 432 1HG2 VAL 33 1HG2 VAL 33 12.471 11.249 -11.757 433 2HG2 VAL 33 2HG2 VAL 33 12.991 12.656 -10.827 434 3HG2 VAL 33 3HG2 VAL 33 13.089 12.676 -12.588 435 H ASN 34 H ASN 34 15.276 7.841 -10.042 436 HA ASN 34 HA ASN 34 17.335 6.718 -9.726 437 1HB ASN 34 1HB ASN 34 17.089 7.808 -12.406 438 2HB ASN 34 2HB ASN 34 18.785 7.698 -11.939 439 1HD2 ASN 34 2HD2 ASN 34 17.234 5.975 -13.879 440 2HD2 ASN 34 1HD2 ASN 34 17.421 4.387 -13.308 441 H ARG 35 H ARG 35 17.598 8.384 -7.858 442 HA ARG 35 HA ARG 35 20.300 9.326 -7.790 443 1HB ARG 35 1HB ARG 35 18.458 10.999 -9.164 444 2HB ARG 35 2HB ARG 35 18.807 11.794 -7.629 445 1HG ARG 35 1HG ARG 35 20.894 12.339 -8.283 446 2HG ARG 35 2HG ARG 35 21.224 10.695 -8.830 447 1HD ARG 35 1HD ARG 35 20.100 11.138 -10.963 448 2HD ARG 35 2HD ARG 35 19.662 12.767 -10.410 449 HE ARG 35 HE ARG 35 22.533 11.954 -10.451 450 1HH1 ARG 35 1HH1 ARG 35 19.935 14.013 -11.517 451 2HH1 ARG 35 2HH1 ARG 35 21.000 15.156 -12.256 452 1HH2 ARG 35 1HH2 ARG 35 23.891 13.452 -11.418 453 2HH2 ARG 35 2HH2 ARG 35 23.222 14.844 -12.202 454 HA PRO 36 HA PRO 36 18.046 10.924 -3.900 455 1HB PRO 36 1HB PRO 36 15.316 10.788 -3.801 456 2HB PRO 36 2HB PRO 36 16.191 12.197 -4.432 457 1HG PRO 36 1HG PRO 36 14.857 9.983 -5.905 458 2HG PRO 36 2HG PRO 36 14.924 11.710 -6.282 459 1HD PRO 36 1HD PRO 36 16.468 9.842 -7.521 460 2HD PRO 36 2HD PRO 36 16.950 11.539 -7.325 Start of MODEL 14 1 1H5* G 1 1H5* G 1 11.845 -16.081 1.076 2 2H5* G 1 2H5* G 1 12.950 -16.570 2.380 3 H4* G 1 H4* G 1 11.017 -18.664 1.909 4 H3* G 1 H3* G 1 9.920 -15.872 2.400 5 H2* G 1 H2* G 1 8.323 -16.806 3.877 6 2HO* G 1 2HO* G 1 7.491 -18.675 3.443 7 H1* G 1 H1* G 1 10.065 -18.677 4.978 8 H8 G 1 H8 G 1 11.826 -15.377 4.692 9 H1 G 1 H1 G 1 7.516 -15.593 9.452 10 1H2 G 1 1H2 G 1 6.146 -17.323 9.131 11 2H2 G 1 2H2 G 1 6.669 -18.672 8.149 12 1H5* C 2 1H5* C 2 6.125 -16.650 0.791 13 2H5* C 2 2H5* C 2 7.193 -16.454 2.199 14 H4* C 2 H4* C 2 4.714 -18.099 2.533 15 H3* C 2 H3* C 2 4.764 -15.083 2.223 16 H2* C 2 H2* C 2 3.295 -14.853 4.045 17 2HO* C 2 2HO* C 2 2.421 -17.284 3.212 18 H1* C 2 H1* C 2 4.321 -16.946 5.578 19 1H4 C 2 1H4 C 2 6.773 -11.706 8.157 20 2H4 C 2 2H4 C 2 7.999 -11.631 6.916 21 H5 C 2 H5 C 2 7.808 -12.934 4.857 22 H6 C 2 H6 C 2 6.870 -14.970 3.897 23 1H5* C 3 1H5* C 3 -0.110 -13.465 1.698 24 2H5* C 3 2H5* C 3 1.497 -12.876 2.174 25 H4* C 3 H4* C 3 -0.426 -14.305 4.034 26 H3* C 3 H3* C 3 0.144 -11.370 3.581 27 H2* C 3 H2* C 3 0.040 -10.958 5.885 28 2HO* C 3 2HO* C 3 -0.683 -13.474 6.716 29 H1* C 3 H1* C 3 1.259 -13.323 6.697 30 1H4 C 3 1H4 C 3 5.546 -8.557 6.738 31 2H4 C 3 2H4 C 3 6.167 -9.175 5.226 32 H5 C 3 H5 C 3 4.750 -10.578 3.810 33 H6 C 3 H6 C 3 3.033 -12.278 3.829 34 1H5* C 4 1H5* C 4 -3.802 -10.058 5.038 35 2H5* C 4 2H5* C 4 -2.040 -10.261 5.033 36 H4* C 4 H4* C 4 -3.587 -9.980 7.609 37 H3* C 4 H3* C 4 -2.622 -7.783 5.742 38 H2* C 4 H2* C 4 -1.862 -6.551 7.586 39 2HO* C 4 2HO* C 4 -2.820 -8.129 9.614 40 H1* C 4 H1* C 4 -1.049 -8.722 9.137 41 1H4 C 4 1H4 C 4 4.405 -6.584 6.763 42 2H4 C 4 2H4 C 4 3.874 -6.852 5.122 43 H5 C 4 H5 C 4 2.039 -8.521 4.871 44 H6 C 4 H6 C 4 -0.002 -9.278 5.785 45 1H5* U 5 1H5* U 5 -4.658 -5.878 8.683 46 2H5* U 5 2H5* U 5 -5.869 -4.733 8.062 47 H4* U 5 H4* U 5 -4.490 -3.506 9.555 48 H3* U 5 H3* U 5 -3.697 -2.987 6.674 49 H2* U 5 H2* U 5 -2.096 -1.451 7.467 50 2HO* U 5 2HO* U 5 -2.497 -1.287 10.076 51 H1* U 5 H1* U 5 -1.541 -2.850 9.849 52 H3 U 5 H3 U 5 2.323 -2.219 7.573 53 H5 U 5 H5 U 5 0.494 -5.436 5.633 54 H6 U 5 H6 U 5 -1.498 -4.936 6.872 55 1H5* G 6 1H5* G 6 -1.825 0.393 8.129 56 2H5* G 6 2H5* G 6 -3.106 1.624 8.187 57 H4* G 6 H4* G 6 -1.928 2.795 6.674 58 H3* G 6 H3* G 6 -2.596 0.393 4.940 59 H2* G 6 H2* G 6 -1.094 1.166 3.311 60 2HO* G 6 2HO* G 6 -1.819 3.588 4.255 61 H1* G 6 H1* G 6 0.797 2.225 5.088 62 H8 G 6 H8 G 6 -0.878 -1.259 5.310 63 H1 G 6 H1 G 6 5.088 -1.157 2.911 64 1H2 G 6 1H2 G 6 5.677 0.970 2.483 65 2H2 G 6 2H2 G 6 4.930 2.238 3.436 66 1H5* A 7 1H5* A 7 -4.562 1.756 0.754 67 2H5* A 7 2H5* A 7 -3.597 0.268 0.822 68 H4* A 7 H4* A 7 -2.804 1.615 -1.020 69 H3* A 7 H3* A 7 -0.950 1.691 1.386 70 H2* A 7 H2* A 7 0.517 3.055 0.121 71 2HO* A 7 2HO* A 7 0.568 3.093 -2.051 72 H1* A 7 H1* A 7 -1.500 4.355 -1.313 73 H8 A 7 H8 A 7 -2.424 4.707 2.251 74 1H6 A 7 1H6 A 7 1.400 8.043 3.666 75 2H6 A 7 2H6 A 7 1.069 9.413 2.630 76 H2 A 7 H2 A 7 2.480 7.026 -1.181 77 1H5* A 8 1H5* A 8 0.995 0.433 -1.576 78 2H5* A 8 2H5* A 8 2.289 -0.783 -1.660 79 H4* A 8 H4* A 8 3.276 1.351 -2.110 80 H3* A 8 H3* A 8 3.798 0.397 0.720 81 H2* A 8 H2* A 8 5.110 2.327 1.110 82 2HO* A 8 2HO* A 8 6.263 3.189 -0.409 83 H1* A 8 H1* A 8 3.498 4.054 -0.416 84 H8 A 8 H8 A 8 1.315 1.910 1.744 85 1H6 A 8 1H6 A 8 2.341 5.966 6.316 86 2H6 A 8 2H6 A 8 1.514 4.488 5.875 87 H2 A 8 H2 A 8 5.247 6.837 3.008 88 1H5* A 9 2H5* A 9 8.382 -1.250 -1.946 89 2H5* A 9 1H5* A 9 7.391 -0.228 -0.886 90 H4* A 9 H4* A 9 9.579 0.557 -2.506 91 H3* A 9 H3* A 9 7.472 2.106 -0.968 92 H2* A 9 H2* A 9 8.368 4.101 -1.880 93 2HO* A 9 2HO* A 9 10.595 3.455 -1.563 94 H1* A 9 H1* A 9 8.838 3.024 -4.415 95 H8 A 9 H8 A 9 6.612 4.586 -1.996 96 1H6 A 9 1H6 A 9 2.829 5.753 -5.684 97 2H6 A 9 2H6 A 9 1.943 4.296 -5.293 98 H2 A 9 H2 A 9 5.356 1.969 -7.722 99 1H5* A 10 1H5* A 10 9.969 1.436 4.097 100 2H5* A 10 2H5* A 10 8.290 1.709 3.592 101 H4* A 10 H4* A 10 10.147 4.060 3.675 102 H3* A 10 H3* A 10 9.012 2.610 6.068 103 H2* A 10 H2* A 10 8.364 4.630 7.067 104 2HO* A 10 2HO* A 10 10.526 5.596 6.259 105 H1* A 10 H1* A 10 7.571 5.930 4.736 106 H8 A 10 H8 A 10 6.072 2.809 3.991 107 1H6 A 10 1H6 A 10 2.334 2.907 8.630 108 2H6 A 10 2H6 A 10 1.875 3.318 6.992 109 H2 A 10 H2 A 10 5.223 6.513 9.167 110 1H5* A 11 1H5* A 11 10.065 4.987 8.706 111 2H5* A 11 2H5* A 11 10.709 3.968 10.014 112 H4* A 11 H4* A 11 8.369 4.984 10.353 113 H3* A 11 H3* A 11 8.949 2.027 10.621 114 H2* A 11 H2* A 11 6.679 1.613 11.105 115 2HO* A 11 2HO* A 11 6.232 4.400 11.345 116 H1* A 11 H1* A 11 5.608 3.490 9.376 117 H8 A 11 H8 A 11 8.390 1.674 7.622 118 1H6 A 11 1H6 A 11 4.589 -2.958 6.583 119 2H6 A 11 2H6 A 11 5.423 -1.868 5.501 120 H2 A 11 H2 A 11 2.383 0.048 9.227 121 1H5* G 12 1H5* G 12 8.923 -0.711 13.747 122 2H5* G 12 2H5* G 12 8.811 0.050 12.151 123 H4* G 12 H4* G 12 6.620 0.876 13.876 124 H3* G 12 H3* G 12 7.054 -2.081 13.474 125 H2* G 12 H2* G 12 4.771 -2.349 12.921 126 2HO* G 12 2HO* G 12 3.212 -0.990 13.546 127 H1* G 12 H1* G 12 4.492 0.062 11.528 128 H8 G 12 H8 G 12 7.492 -0.847 9.940 129 H1 G 12 H1 G 12 2.949 -5.163 8.520 130 1H2 G 12 1H2 G 12 1.233 -4.937 9.876 131 2H2 G 12 2H2 G 12 1.377 -4.041 11.373 132 1H5* G 13 1H5* G 13 6.912 -5.071 16.517 133 2H5* G 13 2H5* G 13 6.771 -4.168 14.998 134 H4* G 13 H4* G 13 4.233 -4.940 16.362 135 H3* G 13 H3* G 13 6.120 -6.921 15.071 136 H2* G 13 H2* G 13 4.320 -7.921 13.950 137 2HO* G 13 2HO* G 13 2.416 -6.429 15.396 138 H1* G 13 H1* G 13 2.877 -5.606 13.453 139 H8 G 13 H8 G 13 6.238 -4.585 12.536 140 H1 G 13 H1 G 13 3.897 -8.956 8.460 141 1H2 G 13 1H2 G 13 1.905 -9.670 9.231 142 2H2 G 13 2H2 G 13 1.695 -9.721 10.966 143 1H5* G 14 1H5* G 14 1.705 -9.381 17.644 144 2H5* G 14 2H5* G 14 3.058 -10.474 18.013 145 H4* G 14 H4* G 14 0.867 -11.334 16.739 146 H3* G 14 H3* G 14 3.742 -12.095 16.187 147 H2* G 14 H2* G 14 3.030 -13.456 14.394 148 2HO* G 14 2HO* G 14 0.612 -13.433 15.778 149 H1* G 14 H1* G 14 1.018 -11.759 13.485 150 H8 G 14 H8 G 14 3.916 -9.582 14.271 151 H1 G 14 H1 G 14 4.769 -13.020 8.894 152 1H2 G 14 1H2 G 14 3.407 -14.875 9.055 153 2H2 G 14 2H2 G 14 1.805 -14.475 9.630 154 1H5* C 15 1H5* C 15 1.621 -15.327 16.110 155 2H5* C 15 2H5* C 15 2.088 -16.719 17.118 156 H4* C 15 H4* C 15 1.816 -17.564 14.893 157 H3* C 15 H3* C 15 4.735 -17.108 15.581 158 H2* C 15 H2* C 15 5.311 -17.972 13.464 159 2HO* C 15 2HO* C 15 2.709 -18.840 12.875 160 H1* C 15 H1* C 15 3.037 -16.975 12.131 161 1H4 C 15 1H4 C 15 7.949 -13.437 10.244 162 2H4 C 15 2H4 C 15 8.103 -12.716 11.833 163 H5 C 15 H5 C 15 6.361 -13.061 13.530 164 H6 C 15 H6 C 15 4.543 -14.480 14.221 165 2H ASP 2 2H ASP 2 9.968 -8.621 0.530 166 1H ASP 2 1H ASP 2 9.816 -9.487 -0.923 167 3H ASP 2 3H ASP 2 11.279 -9.522 -0.066 168 HA ASP 2 HA ASP 2 10.253 -11.575 0.433 169 1HB ASP 2 1HB ASP 2 9.548 -9.614 2.634 170 2HB ASP 2 2HB ASP 2 9.974 -11.312 2.826 171 H ALA 3 H ALA 3 8.171 -11.958 2.265 172 HA ALA 3 HA ALA 3 5.879 -12.253 0.603 173 1HB ALA 3 1HB ALA 3 6.210 -12.073 3.614 174 2HB ALA 3 2HB ALA 3 4.753 -12.661 2.813 175 3HB ALA 3 3HB ALA 3 6.271 -13.539 2.637 176 H GLN 4 H GLN 4 6.962 -9.554 2.580 177 HA GLN 4 HA GLN 4 4.427 -8.146 2.597 178 1HB GLN 4 1HB GLN 4 6.471 -7.915 4.154 179 2HB GLN 4 2HB GLN 4 7.219 -6.990 2.854 180 1HG GLN 4 1HG GLN 4 4.522 -6.049 3.363 181 2HG GLN 4 2HG GLN 4 5.485 -6.006 4.834 182 1HE2 GLN 4 2HE2 GLN 4 4.849 -4.334 1.919 183 2HE2 GLN 4 1HE2 GLN 4 6.166 -3.266 1.971 184 H THR 5 H THR 5 7.469 -7.520 0.819 185 HA THR 5 HA THR 5 6.454 -5.578 -0.990 186 HB THR 5 HB THR 5 8.502 -7.806 -1.322 187 HG1 THR 5 HG1 THR 5 9.231 -6.441 0.187 188 1HG2 THR 5 1HG2 THR 5 7.998 -5.350 -3.025 189 2HG2 THR 5 2HG2 THR 5 9.404 -6.406 -3.174 190 3HG2 THR 5 3HG2 THR 5 7.791 -7.030 -3.522 191 H ARG 6 H ARG 6 6.133 -9.047 -0.811 192 HA ARG 6 HA ARG 6 4.946 -9.485 -3.421 193 1HB ARG 6 1HB ARG 6 5.617 -10.932 -0.971 194 2HB ARG 6 2HB ARG 6 4.061 -11.444 -1.639 195 1HG ARG 6 1HG ARG 6 5.079 -11.945 -3.780 196 2HG ARG 6 2HG ARG 6 6.611 -11.231 -3.277 197 1HD ARG 6 1HD ARG 6 6.768 -13.673 -3.090 198 2HD ARG 6 2HD ARG 6 6.747 -12.977 -1.457 199 HE ARG 6 HE ARG 6 4.613 -13.933 -1.134 200 1HH1 ARG 6 1HH1 ARG 6 5.417 -13.774 -4.510 201 2HH1 ARG 6 2HH1 ARG 6 4.007 -14.647 -5.007 202 1HH2 ARG 6 1HH2 ARG 6 2.786 -15.068 -1.796 203 2HH2 ARG 6 2HH2 ARG 6 2.527 -15.376 -3.480 204 H ARG 7 H ARG 7 3.694 -9.184 -0.080 205 HA ARG 7 HA ARG 7 0.958 -9.499 -0.759 206 1HB ARG 7 1HB ARG 7 1.708 -9.600 1.534 207 2HB ARG 7 2HB ARG 7 2.394 -7.980 1.438 208 1HG ARG 7 1HG ARG 7 0.046 -7.113 1.006 209 2HG ARG 7 2HG ARG 7 -0.544 -8.730 1.388 210 1HD ARG 7 1HD ARG 7 -0.078 -8.508 3.634 211 2HD ARG 7 2HD ARG 7 1.318 -7.458 3.353 212 HE ARG 7 HE ARG 7 -0.157 -5.600 3.339 213 1HH1 ARG 7 1HH1 ARG 7 -1.898 -8.576 2.993 214 2HH1 ARG 7 2HH1 ARG 7 -3.443 -7.811 3.130 215 1HH2 ARG 7 1HH2 ARG 7 -2.129 -4.622 3.515 216 2HH2 ARG 7 2HH2 ARG 7 -3.573 -5.566 3.425 217 H ARG 8 H ARG 8 3.125 -6.738 -0.894 218 HA ARG 8 HA ARG 8 1.315 -4.588 -1.221 219 1HB ARG 8 1HB ARG 8 4.046 -5.045 -1.318 220 2HB ARG 8 2HB ARG 8 3.695 -4.647 -2.993 221 1HG ARG 8 1HG ARG 8 4.299 -2.662 -1.577 222 2HG ARG 8 2HG ARG 8 2.733 -2.528 -2.368 223 1HD ARG 8 1HD ARG 8 3.009 -1.948 0.225 224 2HD ARG 8 2HD ARG 8 1.556 -2.765 -0.366 225 HE ARG 8 HE ARG 8 3.718 -4.608 0.337 226 1HH1 ARG 8 1HH1 ARG 8 0.961 -2.833 1.459 227 2HH1 ARG 8 2HH1 ARG 8 0.669 -3.899 2.785 228 1HH2 ARG 8 1HH2 ARG 8 3.329 -5.981 2.056 229 2HH2 ARG 8 2HH2 ARG 8 2.001 -5.672 3.123 230 H GLU 9 H GLU 9 2.547 -6.917 -3.593 231 HA GLU 9 HA GLU 9 1.224 -5.773 -5.871 232 1HB GLU 9 1HB GLU 9 1.961 -8.640 -5.163 233 2HB GLU 9 2HB GLU 9 1.511 -8.103 -6.782 234 1HG GLU 9 1HG GLU 9 3.561 -6.364 -5.748 235 2HG GLU 9 2HG GLU 9 4.088 -8.038 -5.591 236 H ARG 10 H ARG 10 0.253 -7.901 -3.274 237 HA ARG 10 HA ARG 10 -2.404 -8.447 -4.336 238 1HB ARG 10 1HB ARG 10 -0.696 -9.202 -2.123 239 2HB ARG 10 2HB ARG 10 -2.294 -8.764 -1.519 240 1HG ARG 10 1HG ARG 10 -3.330 -10.515 -2.587 241 2HG ARG 10 2HG ARG 10 -2.209 -10.482 -3.948 242 1HD ARG 10 1HD ARG 10 -0.449 -11.496 -2.527 243 2HD ARG 10 2HD ARG 10 -1.593 -11.558 -1.172 244 HE ARG 10 HE ARG 10 -1.619 -13.315 -3.498 245 1HH1 ARG 10 1HH1 ARG 10 -3.531 -11.763 -1.051 246 2HH1 ARG 10 2HH1 ARG 10 -4.795 -12.943 -1.125 247 1HH2 ARG 10 1HH2 ARG 10 -3.266 -14.841 -3.585 248 2HH2 ARG 10 2HH2 ARG 10 -4.647 -14.677 -2.552 249 H ARG 11 H ARG 11 -0.834 -5.810 -2.794 250 HA ARG 11 HA ARG 11 -3.366 -4.722 -1.701 251 1HB ARG 11 1HB ARG 11 -0.478 -3.797 -1.703 252 2HB ARG 11 2HB ARG 11 -1.801 -2.923 -0.929 253 1HG ARG 11 1HG ARG 11 -0.847 -5.726 -0.247 254 2HG ARG 11 2HG ARG 11 -0.675 -4.297 0.753 255 1HD ARG 11 1HD ARG 11 -2.736 -4.638 1.627 256 2HD ARG 11 2HD ARG 11 -3.458 -4.631 0.014 257 HE ARG 11 HE ARG 11 -1.990 -7.088 0.585 258 1HH1 ARG 11 1HH1 ARG 11 -5.021 -5.417 0.882 259 2HH1 ARG 11 2HH1 ARG 11 -5.945 -6.874 0.996 260 1HH2 ARG 11 1HH2 ARG 11 -3.206 -8.971 0.735 261 2HH2 ARG 11 2HH2 ARG 11 -4.927 -8.875 0.914 262 H ALA 12 H ALA 12 -2.016 -4.873 -4.729 263 HA ALA 12 HA ALA 12 -2.001 -2.201 -5.717 264 1HB ALA 12 1HB ALA 12 -1.409 -4.347 -6.927 265 2HB ALA 12 2HB ALA 12 -3.133 -4.698 -7.048 266 3HB ALA 12 3HB ALA 12 -2.462 -3.287 -7.865 267 H GLU 13 H GLU 13 -4.623 -4.288 -4.694 268 HA GLU 13 HA GLU 13 -6.774 -2.691 -5.846 269 1HB GLU 13 1HB GLU 13 -6.670 -4.763 -3.621 270 2HB GLU 13 2HB GLU 13 -8.148 -4.172 -4.380 271 1HG GLU 13 1HG GLU 13 -7.916 -5.714 -6.000 272 2HG GLU 13 2HG GLU 13 -6.392 -4.964 -6.477 273 H LYS 14 H LYS 14 -4.997 -2.866 -2.784 274 HA LYS 14 HA LYS 14 -6.698 -0.904 -1.421 275 1HB LYS 14 1HB LYS 14 -3.935 -2.076 -0.910 276 2HB LYS 14 2HB LYS 14 -4.802 -1.052 0.238 277 1HG LYS 14 1HG LYS 14 -5.932 -3.630 -0.873 278 2HG LYS 14 2HG LYS 14 -5.051 -3.530 0.652 279 1HD LYS 14 1HD LYS 14 -6.733 -1.664 1.273 280 2HD LYS 14 2HD LYS 14 -7.701 -2.282 -0.065 281 1HE LYS 14 1HE LYS 14 -7.455 -4.600 1.022 282 2HE LYS 14 2HE LYS 14 -6.871 -3.734 2.459 283 1HZ LYS 14 1HZ LYS 14 -9.394 -3.086 1.030 284 2HZ LYS 14 2HZ LYS 14 -9.319 -4.040 2.430 285 3HZ LYS 14 3HZ LYS 14 -8.845 -2.410 2.488 286 H GLN 15 H GLN 15 -3.698 -1.037 -3.199 287 HA GLN 15 HA GLN 15 -2.832 1.681 -2.851 288 1HB GLN 15 1HB GLN 15 -2.166 -0.786 -4.288 289 2HB GLN 15 2HB GLN 15 -1.823 0.637 -5.257 290 1HG GLN 15 1HG GLN 15 -0.212 1.415 -3.783 291 2HG GLN 15 2HG GLN 15 -0.983 0.653 -2.392 292 1HE2 GLN 15 2HE2 GLN 15 -0.947 -1.855 -2.467 293 2HE2 GLN 15 1HE2 GLN 15 0.473 -2.583 -3.049 294 H ALA 16 H ALA 16 -4.459 -0.022 -5.538 295 HA ALA 16 HA ALA 16 -4.860 2.319 -7.165 296 1HB ALA 16 1HB ALA 16 -4.987 -0.118 -7.845 297 2HB ALA 16 2HB ALA 16 -6.530 -0.217 -6.998 298 3HB ALA 16 3HB ALA 16 -6.359 0.842 -8.398 299 H GLN 17 H GLN 17 -6.602 0.973 -4.420 300 HA GLN 17 HA GLN 17 -8.998 2.612 -4.839 301 1HB GLN 17 1HB GLN 17 -7.849 0.782 -2.742 302 2HB GLN 17 2HB GLN 17 -9.200 1.827 -2.308 303 1HG GLN 17 1HG GLN 17 -10.602 0.870 -3.995 304 2HG GLN 17 2HG GLN 17 -9.244 0.022 -4.734 305 1HE2 GLN 17 2HE2 GLN 17 -10.044 0.267 -1.240 306 2HE2 GLN 17 1HE2 GLN 17 -10.239 -1.404 -1.011 307 H TRP 18 H TRP 18 -6.035 2.708 -2.963 308 HA TRP 18 HA TRP 18 -6.637 5.186 -1.549 309 1HB TRP 18 1HB TRP 18 -5.071 3.535 -0.668 310 2HB TRP 18 2HB TRP 18 -4.133 3.582 -2.144 311 HD1 TRP 18 HD1 TRP 18 -4.658 5.493 1.090 312 HE1 TRP 18 HE1 TRP 18 -2.954 7.438 1.174 313 HE3 TRP 18 HE3 TRP 18 -2.783 5.217 -3.587 314 HZ2 TRP 18 HZ2 TRP 18 -1.031 8.683 -0.538 315 HZ3 TRP 18 HZ3 TRP 18 -1.045 6.741 -4.347 316 HH2 TRP 18 HH2 TRP 18 -0.144 8.458 -2.852 317 H LYS 19 H LYS 19 -4.604 4.230 -4.271 318 HA LYS 19 HA LYS 19 -3.537 6.760 -4.980 319 1HB LYS 19 1HB LYS 19 -4.222 4.240 -6.520 320 2HB LYS 19 2HB LYS 19 -3.417 5.609 -7.273 321 1HG LYS 19 1HG LYS 19 -1.607 5.453 -5.577 322 2HG LYS 19 2HG LYS 19 -2.382 4.014 -4.920 323 1HD LYS 19 1HD LYS 19 -2.229 2.977 -7.209 324 2HD LYS 19 2HD LYS 19 -1.268 4.366 -7.712 325 1HE LYS 19 1HE LYS 19 -0.235 3.276 -5.223 326 2HE LYS 19 2HE LYS 19 -0.293 2.030 -6.485 327 1HZ LYS 19 1HZ LYS 19 0.685 3.701 -8.020 328 2HZ LYS 19 2HZ LYS 19 0.916 4.734 -6.692 329 3HZ LYS 19 3HZ LYS 19 1.727 3.242 -6.763 330 H ALA 20 H ALA 20 -6.561 5.121 -5.754 331 HA ALA 20 HA ALA 20 -7.516 6.903 -7.734 332 1HB ALA 20 1HB ALA 20 -8.727 5.072 -5.690 333 2HB ALA 20 2HB ALA 20 -9.777 6.074 -6.692 334 3HB ALA 20 3HB ALA 20 -8.698 4.898 -7.445 335 H ALA 21 H ALA 21 -7.387 7.133 -4.235 336 HA ALA 21 HA ALA 21 -8.698 9.813 -4.403 337 1HB ALA 21 1HB ALA 21 -9.603 7.646 -3.070 338 2HB ALA 21 2HB ALA 21 -8.543 8.321 -1.833 339 3HB ALA 21 3HB ALA 21 -9.866 9.289 -2.482 340 H ASN 22 H ASN 22 -5.860 9.009 -4.692 341 HA ASN 22 HA ASN 22 -4.730 11.043 -2.885 342 1HB ASN 22 1HB ASN 22 -3.896 8.129 -2.825 343 2HB ASN 22 2HB ASN 22 -3.004 9.437 -2.050 344 1HD2 ASN 22 2HD2 ASN 22 -5.278 7.103 -1.432 345 2HD2 ASN 22 1HD2 ASN 22 -6.050 7.801 -0.091 346 HA PRO 23 HA PRO 23 -2.707 10.288 -7.078 347 1HB PRO 23 1HB PRO 23 -3.720 12.467 -8.396 348 2HB PRO 23 2HB PRO 23 -4.505 10.874 -8.431 349 1HG PRO 23 1HG PRO 23 -5.175 13.279 -6.818 350 2HG PRO 23 2HG PRO 23 -6.247 12.088 -7.572 351 1HD PRO 23 1HD PRO 23 -5.618 12.105 -4.910 352 2HD PRO 23 2HD PRO 23 -6.096 10.649 -5.794 353 H LEU 24 H LEU 24 -3.459 12.981 -5.003 354 HA LEU 24 HA LEU 24 -1.445 14.843 -5.707 355 1HB LEU 24 1HB LEU 24 -2.066 15.835 -3.667 356 2HB LEU 24 2HB LEU 24 -3.450 14.784 -3.943 357 HG LEU 24 HG LEU 24 -1.050 13.888 -2.317 358 1HD1 LEU 24 1HD1 LEU 24 -3.443 15.517 -1.524 359 2HD1 LEU 24 2HD1 LEU 24 -2.723 14.392 -0.373 360 3HD1 LEU 24 3HD1 LEU 24 -1.757 15.708 -1.042 361 1HD2 LEU 24 1HD2 LEU 24 -3.170 12.443 -3.313 362 2HD2 LEU 24 2HD2 LEU 24 -2.275 12.003 -1.861 363 3HD2 LEU 24 3HD2 LEU 24 -3.783 12.911 -1.731 364 H LEU 25 H LEU 25 -1.356 11.902 -3.820 365 HA LEU 25 HA LEU 25 1.574 12.168 -3.351 366 1HB LEU 25 1HB LEU 25 -0.777 10.774 -2.134 367 2HB LEU 25 2HB LEU 25 0.769 9.925 -2.052 368 HG LEU 25 HG LEU 25 0.763 12.816 -1.315 369 1HD1 LEU 25 1HD1 LEU 25 -1.233 11.407 -0.225 370 2HD1 LEU 25 2HD1 LEU 25 0.070 10.854 0.826 371 3HD1 LEU 25 3HD1 LEU 25 -0.303 12.574 0.717 372 1HD2 LEU 25 1HD2 LEU 25 2.655 10.881 -1.330 373 2HD2 LEU 25 2HD2 LEU 25 2.684 12.234 -0.199 374 3HD2 LEU 25 3HD2 LEU 25 2.038 10.674 0.310 375 H VAL 26 H VAL 26 0.393 11.751 -5.912 376 HA VAL 26 HA VAL 26 1.673 9.220 -6.703 377 HB VAL 26 HB VAL 26 -1.188 9.661 -6.221 378 1HG1 VAL 26 1HG1 VAL 26 -0.297 8.787 -8.979 379 2HG1 VAL 26 2HG1 VAL 26 -1.861 8.334 -8.300 380 3HG1 VAL 26 3HG1 VAL 26 -1.470 10.038 -8.551 381 1HG2 VAL 26 1HG2 VAL 26 0.588 7.294 -6.871 382 2HG2 VAL 26 2HG2 VAL 26 0.009 7.800 -5.281 383 3HG2 VAL 26 3HG2 VAL 26 -1.124 7.141 -6.464 384 H GLY 27 H GLY 27 2.917 10.007 -8.361 385 1HA GLY 27 1HA GLY 27 3.464 11.048 -10.403 386 2HA GLY 27 2HA GLY 27 1.733 11.114 -10.739 387 H VAL 28 H VAL 28 0.562 12.818 -9.242 388 HA VAL 28 HA VAL 28 1.313 15.420 -9.916 389 HB VAL 28 HB VAL 28 -0.121 14.427 -7.433 390 1HG1 VAL 28 1HG1 VAL 28 0.662 16.928 -7.662 391 2HG1 VAL 28 2HG1 VAL 28 -0.652 17.035 -8.835 392 3HG1 VAL 28 3HG1 VAL 28 -0.996 16.581 -7.166 393 1HG2 VAL 28 1HG2 VAL 28 -0.919 14.831 -10.302 394 2HG2 VAL 28 2HG2 VAL 28 -1.341 13.516 -9.205 395 3HG2 VAL 28 3HG2 VAL 28 -2.113 15.092 -9.032 396 H SER 29 H SER 29 2.453 17.080 -8.827 397 HA SER 29 HA SER 29 4.268 17.933 -7.597 398 1HB SER 29 1HB SER 29 3.323 16.053 -5.443 399 2HB SER 29 2HB SER 29 3.950 17.690 -5.269 400 HG SER 29 HG SER 29 1.414 16.840 -5.702 401 H ALA 30 H ALA 30 4.939 15.765 -9.256 402 HA ALA 30 HA ALA 30 7.327 14.749 -7.847 403 1HB ALA 30 1HB ALA 30 4.927 13.253 -8.087 404 2HB ALA 30 2HB ALA 30 6.054 12.563 -9.255 405 3HB ALA 30 3HB ALA 30 6.499 12.657 -7.551 406 H LYS 31 H LYS 31 6.944 16.608 -9.944 407 HA LYS 31 HA LYS 31 8.788 15.592 -11.921 408 1HB LYS 31 1HB LYS 31 7.121 15.622 -13.826 409 2HB LYS 31 2HB LYS 31 6.860 14.325 -12.662 410 1HG LYS 31 1HG LYS 31 5.051 15.504 -11.618 411 2HG LYS 31 2HG LYS 31 5.426 16.986 -12.497 412 1HD LYS 31 1HD LYS 31 4.137 16.342 -14.224 413 2HD LYS 31 2HD LYS 31 5.043 14.837 -14.380 414 1HE LYS 31 1HE LYS 31 3.150 13.778 -13.699 415 2HE LYS 31 2HE LYS 31 3.452 14.465 -12.091 416 1HZ LYS 31 1HZ LYS 31 2.339 16.512 -12.843 417 2HZ LYS 31 2HZ LYS 31 1.949 15.751 -14.310 418 3HZ LYS 31 3HZ LYS 31 1.296 15.175 -12.852 419 HA PRO 32 HA PRO 32 8.992 20.026 -12.159 420 1HB PRO 32 1HB PRO 32 11.004 20.198 -14.002 421 2HB PRO 32 2HB PRO 32 11.287 19.778 -12.302 422 1HG PRO 32 1HG PRO 32 11.191 18.022 -14.693 423 2HG PRO 32 2HG PRO 32 12.203 17.909 -13.245 424 1HD PRO 32 1HD PRO 32 9.965 16.374 -13.713 425 2HD PRO 32 2HD PRO 32 10.647 16.703 -12.106 426 H VAL 33 H VAL 33 8.038 21.565 -13.524 427 HA VAL 33 HA VAL 33 7.167 20.598 -16.230 428 HB VAL 33 HB VAL 33 5.200 22.089 -15.837 429 1HG1 VAL 33 1HG1 VAL 33 5.756 20.065 -13.646 430 2HG1 VAL 33 2HG1 VAL 33 4.164 20.695 -14.063 431 3HG1 VAL 33 3HG1 VAL 33 5.057 19.717 -15.228 432 1HG2 VAL 33 1HG2 VAL 33 6.528 23.583 -14.230 433 2HG2 VAL 33 2HG2 VAL 33 4.878 23.197 -13.747 434 3HG2 VAL 33 3HG2 VAL 33 6.234 22.349 -13.004 435 H ASN 34 H ASN 34 6.851 22.434 -17.815 436 HA ASN 34 HA ASN 34 9.158 24.258 -17.711 437 1HB ASN 34 1HB ASN 34 7.956 22.855 -19.668 438 2HB ASN 34 2HB ASN 34 7.076 24.373 -19.845 439 1HD2 ASN 34 2HD2 ASN 34 8.371 24.320 -22.013 440 2HD2 ASN 34 1HD2 ASN 34 9.918 25.021 -21.993 441 H ARG 35 H ARG 35 8.657 26.608 -18.505 442 HA ARG 35 HA ARG 35 7.719 28.706 -17.958 443 1HB ARG 35 1HB ARG 35 5.214 26.988 -17.961 444 2HB ARG 35 2HB ARG 35 5.266 28.737 -18.171 445 1HG ARG 35 1HG ARG 35 5.594 28.465 -20.379 446 2HG ARG 35 2HG ARG 35 7.087 27.587 -20.048 447 1HD ARG 35 1HD ARG 35 5.774 26.024 -21.266 448 2HD ARG 35 2HD ARG 35 5.508 25.554 -19.574 449 HE ARG 35 HE ARG 35 3.635 27.593 -20.498 450 1HH1 ARG 35 1HH1 ARG 35 4.333 24.196 -20.312 451 2HH1 ARG 35 2HH1 ARG 35 2.670 23.730 -20.427 452 1HH2 ARG 35 1HH2 ARG 35 1.478 26.973 -20.647 453 2HH2 ARG 35 2HH2 ARG 35 1.062 25.292 -20.615 454 HA PRO 36 HA PRO 36 7.497 27.597 -13.483 455 1HB PRO 36 1HB PRO 36 9.328 29.460 -12.668 456 2HB PRO 36 2HB PRO 36 9.784 27.839 -13.230 457 1HG PRO 36 1HG PRO 36 9.863 30.436 -14.681 458 2HG PRO 36 2HG PRO 36 11.005 29.085 -14.721 459 1HD PRO 36 1HD PRO 36 9.159 29.554 -16.674 460 2HD PRO 36 2HD PRO 36 9.800 27.940 -16.292 Start of MODEL 15 1 1H5* G 1 1H5* G 1 12.532 -15.803 2.759 2 2H5* G 1 2H5* G 1 13.487 -17.277 2.470 3 H4* G 1 H4* G 1 11.475 -18.649 2.615 4 H3* G 1 H3* G 1 10.053 -15.981 2.905 5 H2* G 1 H2* G 1 8.542 -16.970 4.437 6 2HO* G 1 2HO* G 1 9.410 -19.379 3.242 7 H1* G 1 H1* G 1 10.404 -18.614 5.687 8 H8 G 1 H8 G 1 11.874 -15.193 5.195 9 H1 G 1 H1 G 1 7.572 -15.482 9.957 10 1H2 G 1 1H2 G 1 6.256 -17.322 9.605 11 2H2 G 1 2H2 G 1 7.112 -18.727 9.012 12 1H5* C 2 1H5* C 2 6.793 -18.874 2.759 13 2H5* C 2 2H5* C 2 5.972 -18.395 1.255 14 H4* C 2 H4* C 2 4.305 -18.657 2.992 15 H3* C 2 H3* C 2 4.930 -15.761 2.321 16 H2* C 2 H2* C 2 3.324 -15.076 3.900 17 2HO* C 2 2HO* C 2 2.027 -17.216 3.102 18 H1* C 2 H1* C 2 3.797 -17.139 5.741 19 1H4 C 2 1H4 C 2 6.631 -12.116 8.333 20 2H4 C 2 2H4 C 2 7.874 -12.112 7.107 21 H5 C 2 H5 C 2 7.644 -13.425 5.058 22 H6 C 2 H6 C 2 6.712 -15.531 4.200 23 1H5* C 3 1H5* C 3 0.345 -14.167 1.460 24 2H5* C 3 2H5* C 3 1.357 -12.756 1.826 25 H4* C 3 H4* C 3 -0.089 -14.605 3.694 26 H3* C 3 H3* C 3 0.379 -11.637 3.388 27 H2* C 3 H2* C 3 0.204 -11.311 5.693 28 2HO* C 3 2HO* C 3 -0.660 -12.771 7.112 29 H1* C 3 H1* C 3 1.488 -13.654 6.470 30 1H4 C 3 1H4 C 3 5.808 -8.973 6.821 31 2H4 C 3 2H4 C 3 6.116 -9.111 5.105 32 H5 C 3 H5 C 3 5.037 -10.821 3.754 33 H6 C 3 H6 C 3 3.308 -12.517 3.686 34 1H5* C 4 1H5* C 4 -3.592 -10.396 4.627 35 2H5* C 4 2H5* C 4 -1.822 -10.498 4.672 36 H4* C 4 H4* C 4 -3.527 -10.079 7.139 37 H3* C 4 H3* C 4 -2.271 -8.064 5.251 38 H2* C 4 H2* C 4 -1.697 -6.721 7.096 39 2HO* C 4 2HO* C 4 -3.492 -8.331 8.600 40 H1* C 4 H1* C 4 -1.054 -8.820 8.806 41 1H4 C 4 1H4 C 4 4.590 -6.952 6.620 42 2H4 C 4 2H4 C 4 4.069 -7.099 4.961 43 H5 C 4 H5 C 4 2.273 -8.862 4.695 44 H6 C 4 H6 C 4 0.174 -9.564 5.544 45 1H5* U 5 1H5* U 5 -4.571 -6.119 7.910 46 2H5* U 5 2H5* U 5 -5.637 -4.851 7.271 47 H4* U 5 H4* U 5 -4.292 -3.915 9.053 48 H3* U 5 H3* U 5 -3.402 -3.037 6.284 49 H2* U 5 H2* U 5 -1.788 -1.671 7.308 50 2HO* U 5 2HO* U 5 -2.192 -1.788 9.891 51 H1* U 5 H1* U 5 -1.328 -3.378 9.500 52 H3 U 5 H3 U 5 2.537 -2.444 7.251 53 H5 U 5 H5 U 5 0.815 -5.661 5.208 54 H6 U 5 H6 U 5 -1.208 -5.219 6.416 55 1H5* G 6 1H5* G 6 -1.495 0.112 8.112 56 2H5* G 6 2H5* G 6 -2.715 1.403 8.199 57 H4* G 6 H4* G 6 -1.391 2.567 6.790 58 H3* G 6 H3* G 6 -2.267 0.349 4.898 59 H2* G 6 H2* G 6 -0.748 1.160 3.312 60 2HO* G 6 2HO* G 6 -0.399 3.221 3.071 61 H1* G 6 H1* G 6 1.199 2.012 5.165 62 H8 G 6 H8 G 6 -0.506 -1.463 5.066 63 H1 G 6 H1 G 6 5.312 -1.103 2.345 64 1H2 G 6 1H2 G 6 5.896 1.056 2.137 65 2H2 G 6 2H2 G 6 5.197 2.215 3.253 66 1H5* A 7 1H5* A 7 -4.383 1.572 1.010 67 2H5* A 7 2H5* A 7 -3.364 0.120 0.961 68 H4* A 7 H4* A 7 -2.724 1.585 -0.852 69 H3* A 7 H3* A 7 -0.737 1.612 1.444 70 H2* A 7 H2* A 7 0.611 3.082 0.161 71 2HO* A 7 2HO* A 7 -0.898 2.876 -2.160 72 H1* A 7 H1* A 7 -1.530 4.388 -1.072 73 H8 A 7 H8 A 7 -2.242 4.456 2.554 74 1H6 A 7 1H6 A 7 0.594 9.127 3.256 75 2H6 A 7 2H6 A 7 1.889 8.082 3.794 76 H2 A 7 H2 A 7 2.309 7.292 -0.979 77 1H5* A 8 1H5* A 8 1.098 0.745 -1.666 78 2H5* A 8 2H5* A 8 2.437 -0.397 -1.913 79 H4* A 8 H4* A 8 3.317 1.791 -2.289 80 H3* A 8 H3* A 8 4.010 0.696 0.457 81 H2* A 8 H2* A 8 5.229 2.654 0.947 82 2HO* A 8 2HO* A 8 4.985 3.510 -1.744 83 H1* A 8 H1* A 8 3.491 4.412 -0.375 84 H8 A 8 H8 A 8 1.500 1.948 1.651 85 1H6 A 8 1H6 A 8 1.386 4.476 5.858 86 2H6 A 8 2H6 A 8 2.626 5.459 6.603 87 H2 A 8 H2 A 8 5.106 7.042 3.194 88 1H5* A 9 2H5* A 9 8.511 -0.611 -2.446 89 2H5* A 9 1H5* A 9 7.519 0.303 -1.291 90 H4* A 9 H4* A 9 9.666 1.263 -2.854 91 H3* A 9 H3* A 9 7.521 2.623 -1.200 92 H2* A 9 H2* A 9 8.276 4.717 -2.004 93 2HO* A 9 2HO* A 9 10.544 4.179 -1.740 94 H1* A 9 H1* A 9 8.795 3.842 -4.604 95 H8 A 9 H8 A 9 6.508 5.148 -2.114 96 1H6 A 9 1H6 A 9 2.507 6.114 -6.052 97 2H6 A 9 2H6 A 9 1.917 4.821 -5.032 98 H2 A 9 H2 A 9 5.326 2.677 -7.916 99 1H5* A 10 1H5* A 10 10.145 1.610 3.780 100 2H5* A 10 2H5* A 10 8.465 1.832 3.250 101 H4* A 10 H4* A 10 10.170 4.274 3.452 102 H3* A 10 H3* A 10 9.215 2.648 5.810 103 H2* A 10 H2* A 10 8.452 4.574 6.904 104 2HO* A 10 2HO* A 10 9.021 6.678 5.650 105 H1* A 10 H1* A 10 7.516 5.918 4.650 106 H8 A 10 H8 A 10 6.209 2.712 3.858 107 1H6 A 10 1H6 A 10 2.587 2.186 7.090 108 2H6 A 10 2H6 A 10 2.045 3.168 8.432 109 H2 A 10 H2 A 10 5.215 6.271 9.110 110 1H5* A 11 2H5* A 11 10.932 4.037 9.902 111 2H5* A 11 1H5* A 11 10.461 2.616 8.946 112 H4* A 11 H4* A 11 8.667 4.664 10.262 113 H3* A 11 H3* A 11 9.081 1.681 10.477 114 H2* A 11 H2* A 11 6.779 1.366 10.897 115 2HO* A 11 2HO* A 11 5.408 3.235 11.259 116 H1* A 11 H1* A 11 5.845 3.318 9.173 117 H8 A 11 H8 A 11 8.571 1.541 7.379 118 1H6 A 11 1H6 A 11 4.822 -3.109 6.267 119 2H6 A 11 2H6 A 11 5.604 -1.972 5.195 120 H2 A 11 H2 A 11 2.592 -0.193 9.005 121 1H5* G 12 1H5* G 12 8.841 -1.076 13.620 122 2H5* G 12 2H5* G 12 8.831 -0.294 12.032 123 H4* G 12 H4* G 12 6.602 0.606 13.666 124 H3* G 12 H3* G 12 6.934 -2.361 13.250 125 H2* G 12 H2* G 12 4.672 -2.534 12.590 126 2HO* G 12 2HO* G 12 4.194 0.138 13.395 127 H1* G 12 H1* G 12 4.553 -0.108 11.206 128 H8 G 12 H8 G 12 7.575 -1.092 9.728 129 H1 G 12 H1 G 12 3.045 -5.400 8.254 130 1H2 G 12 1H2 G 12 1.318 -5.184 9.585 131 2H2 G 12 2H2 G 12 1.326 -4.089 10.949 132 1H5* G 13 1H5* G 13 6.588 -5.169 16.554 133 2H5* G 13 2H5* G 13 6.488 -4.389 14.966 134 H4* G 13 H4* G 13 3.952 -5.245 16.318 135 H3* G 13 H3* G 13 5.967 -7.073 14.987 136 H2* G 13 H2* G 13 4.266 -8.188 13.843 137 2HO* G 13 2HO* G 13 2.036 -7.843 14.353 138 H1* G 13 H1* G 13 2.670 -5.970 13.363 139 H8 G 13 H8 G 13 6.029 -4.778 12.533 140 H1 G 13 H1 G 13 3.938 -9.203 8.371 141 1H2 G 13 1H2 G 13 1.841 -9.861 9.073 142 2H2 G 13 2H2 G 13 1.783 -10.143 10.797 143 1H5* G 14 1H5* G 14 0.857 -8.862 16.863 144 2H5* G 14 2H5* G 14 1.562 -9.863 18.151 145 H4* G 14 H4* G 14 0.282 -11.245 16.561 146 H3* G 14 H3* G 14 3.286 -11.638 16.435 147 H2* G 14 H2* G 14 2.887 -13.385 14.877 148 2HO* G 14 2HO* G 14 1.011 -14.419 14.686 149 H1* G 14 H1* G 14 0.826 -12.063 13.539 150 H8 G 14 H8 G 14 3.764 -9.815 14.378 151 H1 G 14 H1 G 14 4.552 -13.312 9.040 152 1H2 G 14 1H2 G 14 3.096 -15.161 9.268 153 2H2 G 14 2H2 G 14 1.499 -14.557 9.645 154 1H5* C 15 1H5* C 15 1.395 -15.208 16.429 155 2H5* C 15 2H5* C 15 2.045 -16.350 17.626 156 H4* C 15 H4* C 15 1.951 -17.483 15.492 157 H3* C 15 H3* C 15 4.761 -16.626 16.249 158 H2* C 15 H2* C 15 5.547 -17.681 14.292 159 2HO* C 15 2HO* C 15 3.444 -18.888 13.246 160 H1* C 15 H1* C 15 3.265 -17.104 12.741 161 1H4 C 15 1H4 C 15 7.807 -13.246 10.597 162 2H4 C 15 2H4 C 15 7.911 -12.416 12.139 163 H5 C 15 H5 C 15 6.176 -12.764 13.846 164 H6 C 15 H6 C 15 4.484 -14.287 14.645 165 2H ASP 2 2H ASP 2 9.981 -11.380 -1.853 166 1H ASP 2 1H ASP 2 9.843 -13.069 -1.972 167 3H ASP 2 3H ASP 2 11.253 -12.373 -1.329 168 HA ASP 2 HA ASP 2 10.057 -13.123 0.549 169 1HB ASP 2 1HB ASP 2 9.337 -10.211 0.135 170 2HB ASP 2 2HB ASP 2 9.696 -11.015 1.659 171 H ALA 3 H ALA 3 7.853 -11.890 1.722 172 HA ALA 3 HA ALA 3 5.605 -12.899 0.012 173 1HB ALA 3 1HB ALA 3 6.155 -14.164 2.087 174 2HB ALA 3 2HB ALA 3 5.878 -12.700 3.029 175 3HB ALA 3 3HB ALA 3 4.542 -13.455 2.161 176 H GLN 4 H GLN 4 6.743 -10.243 2.026 177 HA GLN 4 HA GLN 4 4.217 -8.816 2.071 178 1HB GLN 4 1HB GLN 4 6.113 -8.507 3.675 179 2HB GLN 4 2HB GLN 4 7.077 -7.835 2.367 180 1HG GLN 4 1HG GLN 4 5.320 -6.079 2.043 181 2HG GLN 4 2HG GLN 4 4.493 -6.699 3.471 182 1HE2 GLN 4 2HE2 GLN 4 5.140 -4.194 3.935 183 2HE2 GLN 4 1HE2 GLN 4 6.580 -4.003 4.811 184 H THR 5 H THR 5 7.251 -8.217 0.295 185 HA THR 5 HA THR 5 6.356 -6.203 -1.448 186 HB THR 5 HB THR 5 8.122 -8.592 -2.095 187 HG1 THR 5 HG1 THR 5 8.668 -6.076 -0.906 188 1HG2 THR 5 1HG2 THR 5 7.739 -5.860 -3.310 189 2HG2 THR 5 2HG2 THR 5 9.205 -6.807 -3.584 190 3HG2 THR 5 3HG2 THR 5 7.638 -7.432 -4.102 191 H ARG 6 H ARG 6 5.833 -9.674 -1.493 192 HA ARG 6 HA ARG 6 4.458 -9.834 -4.047 193 1HB ARG 6 1HB ARG 6 5.229 -11.505 -1.801 194 2HB ARG 6 2HB ARG 6 3.552 -11.829 -2.255 195 1HG ARG 6 1HG ARG 6 4.849 -11.665 -4.709 196 2HG ARG 6 2HG ARG 6 6.034 -12.481 -3.690 197 1HD ARG 6 1HD ARG 6 3.138 -13.357 -3.701 198 2HD ARG 6 2HD ARG 6 4.297 -13.981 -4.891 199 HE ARG 6 HE ARG 6 5.403 -14.090 -2.222 200 1HH1 ARG 6 1HH1 ARG 6 3.196 -15.638 -4.408 201 2HH1 ARG 6 2HH1 ARG 6 3.366 -17.192 -3.666 202 1HH2 ARG 6 1HH2 ARG 6 5.617 -16.115 -1.265 203 2HH2 ARG 6 2HH2 ARG 6 4.729 -17.462 -1.895 204 H ARG 7 H ARG 7 3.483 -9.689 -0.631 205 HA ARG 7 HA ARG 7 0.687 -9.780 -1.016 206 1HB ARG 7 1HB ARG 7 1.603 -10.051 1.160 207 2HB ARG 7 2HB ARG 7 2.543 -8.572 1.032 208 1HG ARG 7 1HG ARG 7 0.166 -7.427 0.828 209 2HG ARG 7 2HG ARG 7 -0.383 -8.908 1.610 210 1HD ARG 7 1HD ARG 7 0.301 -8.097 3.603 211 2HD ARG 7 2HD ARG 7 1.960 -7.985 2.991 212 HE ARG 7 HE ARG 7 0.026 -5.766 3.084 213 1HH1 ARG 7 1HH1 ARG 7 2.896 -7.079 1.643 214 2HH1 ARG 7 2HH1 ARG 7 3.478 -5.541 1.133 215 1HH2 ARG 7 1HH2 ARG 7 0.791 -3.780 2.418 216 2HH2 ARG 7 2HH2 ARG 7 2.294 -3.677 1.568 217 H ARG 8 H ARG 8 2.981 -7.114 -1.246 218 HA ARG 8 HA ARG 8 1.228 -4.877 -1.335 219 1HB ARG 8 1HB ARG 8 3.862 -5.205 -1.426 220 2HB ARG 8 2HB ARG 8 3.603 -5.164 -3.166 221 1HG ARG 8 1HG ARG 8 3.985 -2.907 -2.652 222 2HG ARG 8 2HG ARG 8 2.225 -3.009 -2.679 223 1HD ARG 8 1HD ARG 8 3.091 -1.777 -0.667 224 2HD ARG 8 2HD ARG 8 2.177 -3.232 -0.228 225 HE ARG 8 HE ARG 8 4.191 -4.194 0.546 226 1HH1 ARG 8 1HH1 ARG 8 4.823 -1.515 -1.569 227 2HH1 ARG 8 2HH1 ARG 8 6.532 -1.555 -1.298 228 1HH2 ARG 8 1HH2 ARG 8 6.416 -4.233 0.889 229 2HH2 ARG 8 2HH2 ARG 8 7.429 -3.083 0.084 230 H GLU 9 H GLU 9 2.210 -7.140 -3.876 231 HA GLU 9 HA GLU 9 0.829 -5.823 -6.021 232 1HB GLU 9 1HB GLU 9 1.357 -8.782 -5.540 233 2HB GLU 9 2HB GLU 9 1.019 -8.042 -7.105 234 1HG GLU 9 1HG GLU 9 3.123 -6.515 -6.150 235 2HG GLU 9 2HG GLU 9 3.532 -8.138 -5.595 236 H ARG 10 H ARG 10 -0.136 -7.911 -3.410 237 HA ARG 10 HA ARG 10 -2.862 -8.318 -4.381 238 1HB ARG 10 1HB ARG 10 -1.093 -9.252 -2.296 239 2HB ARG 10 2HB ARG 10 -2.613 -8.726 -1.574 240 1HG ARG 10 1HG ARG 10 -3.866 -10.311 -2.719 241 2HG ARG 10 2HG ARG 10 -2.704 -10.420 -4.042 242 1HD ARG 10 1HD ARG 10 -1.128 -11.636 -2.618 243 2HD ARG 10 2HD ARG 10 -2.215 -11.458 -1.226 244 HE ARG 10 HE ARG 10 -2.566 -13.337 -3.422 245 1HH1 ARG 10 1HH1 ARG 10 -4.181 -11.354 -1.071 246 2HH1 ARG 10 2HH1 ARG 10 -5.603 -12.339 -1.047 247 1HH2 ARG 10 2HH2 ARG 10 -4.420 -14.606 -3.382 248 2HH2 ARG 10 1HH2 ARG 10 -5.740 -14.171 -2.348 249 H ARG 11 H ARG 11 -1.071 -5.826 -2.834 250 HA ARG 11 HA ARG 11 -3.460 -4.634 -1.556 251 1HB ARG 11 1HB ARG 11 -0.550 -3.809 -1.777 252 2HB ARG 11 2HB ARG 11 -1.776 -2.917 -0.880 253 1HG ARG 11 1HG ARG 11 -0.846 -5.751 -0.338 254 2HG ARG 11 2HG ARG 11 -0.548 -4.340 0.668 255 1HD ARG 11 1HD ARG 11 -2.526 -4.652 1.735 256 2HD ARG 11 2HD ARG 11 -3.396 -4.606 0.193 257 HE ARG 11 HE ARG 11 -1.988 -7.104 0.461 258 1HH1 ARG 11 1HH1 ARG 11 -4.765 -5.350 1.585 259 2HH1 ARG 11 2HH1 ARG 11 -5.681 -6.780 1.916 260 1HH2 ARG 11 1HH2 ARG 11 -3.186 -8.955 0.897 261 2HH2 ARG 11 2HH2 ARG 11 -4.792 -8.812 1.529 262 H ALA 12 H ALA 12 -2.273 -4.765 -4.676 263 HA ALA 12 HA ALA 12 -2.247 -2.068 -5.596 264 1HB ALA 12 1HB ALA 12 -1.776 -4.244 -6.856 265 2HB ALA 12 2HB ALA 12 -3.522 -4.466 -6.975 266 3HB ALA 12 3HB ALA 12 -2.755 -3.079 -7.746 267 H GLU 13 H GLU 13 -4.859 -4.138 -4.521 268 HA GLU 13 HA GLU 13 -7.021 -2.462 -5.524 269 1HB GLU 13 1HB GLU 13 -6.809 -4.661 -3.437 270 2HB GLU 13 2HB GLU 13 -8.339 -3.952 -3.956 271 1HG GLU 13 1HG GLU 13 -8.253 -4.937 -6.038 272 2HG GLU 13 2HG GLU 13 -6.490 -4.938 -6.080 273 H LYS 14 H LYS 14 -5.091 -2.756 -2.569 274 HA LYS 14 HA LYS 14 -6.689 -0.811 -1.056 275 1HB LYS 14 1HB LYS 14 -3.895 -1.983 -0.713 276 2HB LYS 14 2HB LYS 14 -4.759 -1.059 0.518 277 1HG LYS 14 1HG LYS 14 -5.801 -3.623 -0.712 278 2HG LYS 14 2HG LYS 14 -4.930 -3.546 0.823 279 1HD LYS 14 1HD LYS 14 -6.665 -1.920 1.645 280 2HD LYS 14 2HD LYS 14 -7.572 -2.210 0.159 281 1HE LYS 14 1HE LYS 14 -7.419 -4.725 0.790 282 2HE LYS 14 2HE LYS 14 -6.998 -4.139 2.411 283 1HZ LYS 14 1HZ LYS 14 -9.365 -3.260 0.841 284 2HZ LYS 14 2HZ LYS 14 -9.411 -4.375 2.123 285 3HZ LYS 14 3HZ LYS 14 -8.965 -2.765 2.416 286 H GLN 15 H GLN 15 -3.778 -0.938 -2.988 287 HA GLN 15 HA GLN 15 -2.853 1.757 -2.607 288 1HB GLN 15 1HB GLN 15 -2.284 -0.673 -4.132 289 2HB GLN 15 2HB GLN 15 -1.986 0.765 -5.092 290 1HG GLN 15 1HG GLN 15 -0.317 1.535 -3.669 291 2HG GLN 15 2HG GLN 15 -0.986 0.688 -2.275 292 1HE2 GLN 15 2HE2 GLN 15 -0.962 -1.849 -2.581 293 2HE2 GLN 15 1HE2 GLN 15 0.456 -2.495 -3.255 294 H ALA 16 H ALA 16 -4.648 0.170 -5.258 295 HA ALA 16 HA ALA 16 -5.084 2.607 -6.753 296 1HB ALA 16 1HB ALA 16 -6.462 -0.099 -6.657 297 2HB ALA 16 2HB ALA 16 -6.843 1.135 -7.858 298 3HB ALA 16 3HB ALA 16 -5.229 0.427 -7.802 299 H GLN 17 H GLN 17 -6.731 1.095 -4.035 300 HA GLN 17 HA GLN 17 -9.158 2.726 -4.300 301 1HB GLN 17 1HB GLN 17 -7.928 0.823 -2.311 302 2HB GLN 17 2HB GLN 17 -9.287 1.826 -1.808 303 1HG GLN 17 1HG GLN 17 -10.708 0.912 -3.501 304 2HG GLN 17 2HG GLN 17 -9.354 0.119 -4.304 305 1HE2 GLN 17 2HE2 GLN 17 -10.470 0.210 -0.863 306 2HE2 GLN 17 1HE2 GLN 17 -10.468 -1.476 -0.671 307 H TRP 18 H TRP 18 -6.114 2.776 -2.581 308 HA TRP 18 HA TRP 18 -6.671 5.156 -0.992 309 1HB TRP 18 1HB TRP 18 -5.040 3.465 -0.297 310 2HB TRP 18 2HB TRP 18 -4.177 3.635 -1.812 311 HD1 TRP 18 HD1 TRP 18 -4.584 5.309 1.563 312 HE1 TRP 18 HE1 TRP 18 -2.916 7.278 1.704 313 HE3 TRP 18 HE3 TRP 18 -2.940 5.397 -3.208 314 HZ2 TRP 18 HZ2 TRP 18 -1.104 8.684 -0.006 315 HZ3 TRP 18 HZ3 TRP 18 -1.263 7.017 -3.942 316 HH2 TRP 18 HH2 TRP 18 -0.333 8.644 -2.373 317 H LYS 19 H LYS 19 -4.753 4.384 -3.856 318 HA LYS 19 HA LYS 19 -3.775 6.977 -4.464 319 1HB LYS 19 1HB LYS 19 -4.419 4.499 -6.082 320 2HB LYS 19 2HB LYS 19 -3.730 5.936 -6.825 321 1HG LYS 19 1HG LYS 19 -1.857 5.827 -5.158 322 2HG LYS 19 2HG LYS 19 -2.493 4.271 -4.628 323 1HD LYS 19 1HD LYS 19 -2.414 3.743 -7.231 324 2HD LYS 19 2HD LYS 19 -1.179 5.000 -7.213 325 1HE LYS 19 1HE LYS 19 0.138 3.781 -5.581 326 2HE LYS 19 2HE LYS 19 -1.156 2.585 -5.370 327 1HZ LYS 19 1HZ LYS 19 -0.010 3.173 -8.033 328 2HZ LYS 19 2HZ LYS 19 0.693 2.012 -7.011 329 3HZ LYS 19 3HZ LYS 19 -0.907 1.818 -7.546 330 H ALA 20 H ALA 20 -6.799 5.321 -5.180 331 HA ALA 20 HA ALA 20 -7.861 7.177 -7.040 332 1HB ALA 20 1HB ALA 20 -8.982 5.260 -5.017 333 2HB ALA 20 2HB ALA 20 -10.065 6.272 -5.971 334 3HB ALA 20 3HB ALA 20 -8.991 5.129 -6.776 335 H ALA 21 H ALA 21 -7.614 7.221 -3.537 336 HA ALA 21 HA ALA 21 -8.945 9.897 -3.516 337 1HB ALA 21 1HB ALA 21 -9.727 7.621 -2.243 338 2HB ALA 21 2HB ALA 21 -8.684 8.336 -1.013 339 3HB ALA 21 3HB ALA 21 -10.071 9.238 -1.627 340 H ASN 22 H ASN 22 -6.117 9.171 -3.969 341 HA ASN 22 HA ASN 22 -4.950 11.094 -2.063 342 1HB ASN 22 1HB ASN 22 -4.090 8.196 -2.256 343 2HB ASN 22 2HB ASN 22 -3.142 9.452 -1.462 344 1HD2 ASN 22 2HD2 ASN 22 -5.356 7.075 -0.818 345 2HD2 ASN 22 1HD2 ASN 22 -6.043 7.696 0.604 346 HA PRO 23 HA PRO 23 -3.086 10.746 -6.384 347 1HB PRO 23 1HB PRO 23 -4.196 13.013 -7.457 348 2HB PRO 23 2HB PRO 23 -4.948 11.411 -7.608 349 1HG PRO 23 1HG PRO 23 -5.606 13.642 -5.758 350 2HG PRO 23 2HG PRO 23 -6.681 12.501 -6.582 351 1HD PRO 23 1HD PRO 23 -5.964 12.284 -3.954 352 2HD PRO 23 2HD PRO 23 -6.432 10.900 -4.956 353 H LEU 24 H LEU 24 -3.784 13.163 -3.989 354 HA LEU 24 HA LEU 24 -1.807 15.131 -4.609 355 1HB LEU 24 1HB LEU 24 -2.463 15.998 -2.535 356 2HB LEU 24 2HB LEU 24 -3.819 14.923 -2.850 357 HG LEU 24 HG LEU 24 -1.378 14.050 -1.269 358 1HD1 LEU 24 1HD1 LEU 24 -3.794 15.600 -0.454 359 2HD1 LEU 24 2HD1 LEU 24 -3.210 14.349 0.644 360 3HD1 LEU 24 3HD1 LEU 24 -2.147 15.675 0.172 361 1HD2 LEU 24 1HD2 LEU 24 -3.514 12.601 -2.340 362 2HD2 LEU 24 2HD2 LEU 24 -2.459 12.057 -1.038 363 3HD2 LEU 24 3HD2 LEU 24 -3.988 12.856 -0.665 364 H LEU 25 H LEU 25 -1.693 12.066 -2.901 365 HA LEU 25 HA LEU 25 1.223 12.340 -2.362 366 1HB LEU 25 1HB LEU 25 -1.084 10.625 -1.454 367 2HB LEU 25 2HB LEU 25 0.561 10.004 -1.274 368 HG LEU 25 HG LEU 25 -0.226 12.746 -0.282 369 1HD1 LEU 25 1HD1 LEU 25 -0.266 10.119 1.236 370 2HD1 LEU 25 2HD1 LEU 25 -0.478 11.716 1.955 371 3HD1 LEU 25 3HD1 LEU 25 -1.677 11.092 0.822 372 1HD2 LEU 25 1HD2 LEU 25 2.102 10.865 0.041 373 2HD2 LEU 25 2HD2 LEU 25 2.111 12.589 -0.330 374 3HD2 LEU 25 3HD2 LEU 25 1.747 12.042 1.306 375 H VAL 26 H VAL 26 0.074 12.173 -4.965 376 HA VAL 26 HA VAL 26 1.396 9.757 -6.050 377 HB VAL 26 HB VAL 26 -1.487 10.371 -5.741 378 1HG1 VAL 26 1HG1 VAL 26 -0.351 9.518 -8.412 379 2HG1 VAL 26 2HG1 VAL 26 -2.012 9.174 -7.929 380 3HG1 VAL 26 3HG1 VAL 26 -1.465 10.846 -8.071 381 1HG2 VAL 26 1HG2 VAL 26 -0.203 8.370 -4.847 382 2HG2 VAL 26 2HG2 VAL 26 -1.675 7.980 -5.739 383 3HG2 VAL 26 3HG2 VAL 26 -0.100 7.787 -6.510 384 H GLY 27 H GLY 27 1.778 10.103 -8.440 385 1HA GLY 27 1HA GLY 27 2.635 12.679 -9.152 386 2HA GLY 27 2HA GLY 27 2.161 11.461 -10.341 387 H VAL 28 H VAL 28 1.595 14.427 -10.347 388 HA VAL 28 HA VAL 28 -0.982 15.171 -9.610 389 HB VAL 28 HB VAL 28 0.493 15.680 -12.217 390 1HG1 VAL 28 1HG1 VAL 28 -2.185 16.205 -11.727 391 2HG1 VAL 28 2HG1 VAL 28 -1.402 17.712 -11.241 392 3HG1 VAL 28 3HG1 VAL 28 -1.171 17.086 -12.874 393 1HG2 VAL 28 1HG2 VAL 28 0.275 17.242 -9.622 394 2HG2 VAL 28 2HG2 VAL 28 1.708 16.395 -10.204 395 3HG2 VAL 28 3HG2 VAL 28 1.104 17.807 -11.073 396 H SER 29 H SER 29 -3.050 14.711 -10.320 397 HA SER 29 HA SER 29 -4.707 13.287 -11.179 398 1HB SER 29 1HB SER 29 -4.529 13.269 -13.755 399 2HB SER 29 2HB SER 29 -4.586 14.844 -12.971 400 HG SER 29 HG SER 29 -2.540 15.172 -13.462 401 H ALA 30 H ALA 30 -2.354 11.982 -10.162 402 HA ALA 30 HA ALA 30 -1.111 9.963 -10.279 403 1HB ALA 30 1HB ALA 30 -3.888 9.700 -10.045 404 2HB ALA 30 2HB ALA 30 -3.420 8.456 -11.205 405 3HB ALA 30 3HB ALA 30 -2.676 8.494 -9.605 406 H LYS 31 H LYS 31 -0.297 11.154 -12.492 407 HA LYS 31 HA LYS 31 -0.102 8.978 -14.459 408 1HB LYS 31 1HB LYS 31 -0.974 10.453 -16.294 409 2HB LYS 31 2HB LYS 31 -2.201 10.055 -15.092 410 1HG LYS 31 1HG LYS 31 -1.954 12.206 -14.019 411 2HG LYS 31 2HG LYS 31 -0.553 12.597 -15.016 412 1HD LYS 31 1HD LYS 31 -2.536 13.730 -15.897 413 2HD LYS 31 2HD LYS 31 -1.988 12.505 -17.040 414 1HE LYS 31 1HE LYS 31 -3.789 11.083 -16.587 415 2HE LYS 31 2HE LYS 31 -4.056 11.777 -14.974 416 1HZ LYS 31 1HZ LYS 31 -4.657 13.882 -16.053 417 2HZ LYS 31 2HZ LYS 31 -4.511 13.142 -17.575 418 3HZ LYS 31 3HZ LYS 31 -5.711 12.625 -16.494 419 HA PRO 32 HA PRO 32 3.785 11.122 -14.696 420 1HB PRO 32 1HB PRO 32 4.971 9.532 -16.572 421 2HB PRO 32 2HB PRO 32 4.755 9.030 -14.885 422 1HG PRO 32 1HG PRO 32 3.241 8.233 -17.300 423 2HG PRO 32 2HG PRO 32 3.613 7.307 -15.840 424 1HD PRO 32 1HD PRO 32 1.175 8.511 -16.414 425 2HD PRO 32 2HD PRO 32 1.710 7.974 -14.808 426 H VAL 33 H VAL 33 2.012 12.677 -15.945 427 HA VAL 33 HA VAL 33 3.237 13.202 -18.626 428 HB VAL 33 HB VAL 33 0.270 13.330 -18.002 429 1HG1 VAL 33 1HG1 VAL 33 1.760 14.400 -20.081 430 2HG1 VAL 33 2HG1 VAL 33 1.170 12.881 -20.756 431 3HG1 VAL 33 3HG1 VAL 33 0.029 14.069 -20.125 432 1HG2 VAL 33 1HG2 VAL 33 1.987 11.076 -19.043 433 2HG2 VAL 33 2HG2 VAL 33 0.716 11.020 -17.822 434 3HG2 VAL 33 3HG2 VAL 33 0.295 11.209 -19.525 435 H ASN 34 H ASN 34 3.460 15.430 -19.073 436 HA ASN 34 HA ASN 34 2.782 17.252 -16.819 437 1HB ASN 34 1HB ASN 34 4.567 18.603 -17.651 438 2HB ASN 34 2HB ASN 34 5.127 16.942 -17.824 439 1HD2 ASN 34 2HD2 ASN 34 5.205 16.029 -20.018 440 2HD2 ASN 34 1HD2 ASN 34 5.138 17.035 -21.385 441 H ARG 35 H ARG 35 0.619 16.469 -18.418 442 HA ARG 35 HA ARG 35 -1.156 17.349 -19.714 443 1HB ARG 35 1HB ARG 35 0.083 19.842 -18.505 444 2HB ARG 35 2HB ARG 35 -1.553 19.741 -19.159 445 1HG ARG 35 1HG ARG 35 -0.750 17.719 -17.110 446 2HG ARG 35 2HG ARG 35 -1.075 19.363 -16.559 447 1HD ARG 35 1HD ARG 35 -3.080 18.328 -18.464 448 2HD ARG 35 2HD ARG 35 -3.023 17.461 -16.916 449 HE ARG 35 HE ARG 35 -3.863 20.222 -17.278 450 1HH1 ARG 35 1HH1 ARG 35 -2.309 17.973 -15.137 451 2HH1 ARG 35 2HH1 ARG 35 -2.711 18.870 -13.714 452 1HH2 ARG 35 1HH2 ARG 35 -4.380 21.379 -15.421 453 2HH2 ARG 35 2HH2 ARG 35 -3.877 20.789 -13.873 454 HA PRO 36 HA PRO 36 1.653 18.635 -23.168 455 1HB PRO 36 1HB PRO 36 0.867 16.684 -24.916 456 2HB PRO 36 2HB PRO 36 2.166 16.449 -23.730 457 1HG PRO 36 1HG PRO 36 -0.656 15.528 -23.652 458 2HG PRO 36 2HG PRO 36 0.811 14.725 -23.075 459 1HD PRO 36 1HD PRO 36 -0.981 16.022 -21.449 460 2HD PRO 36 2HD PRO 36 0.728 15.757 -21.048 Start of MODEL 16 1 1H5* G 1 1H5* G 1 12.276 -15.158 2.201 2 2H5* G 1 2H5* G 1 13.428 -16.495 2.413 3 H4* G 1 H4* G 1 11.428 -18.064 2.399 4 H3* G 1 H3* G 1 9.982 -15.401 2.591 5 H2* G 1 H2* G 1 8.465 -16.351 4.133 6 2HO* G 1 2HO* G 1 7.820 -18.310 3.753 7 H1* G 1 H1* G 1 10.348 -17.922 5.447 8 H8 G 1 H8 G 1 11.593 -14.407 4.751 9 H1 G 1 H1 G 1 7.612 -14.867 9.771 10 1H2 G 1 1H2 G 1 6.694 -16.871 9.829 11 2H2 G 1 2H2 G 1 7.151 -18.136 8.711 12 1H5* C 2 1H5* C 2 6.317 -17.023 0.728 13 2H5* C 2 2H5* C 2 7.249 -16.371 2.094 14 H4* C 2 H4* C 2 4.965 -18.298 2.530 15 H3* C 2 H3* C 2 4.847 -15.296 2.112 16 H2* C 2 H2* C 2 3.310 -15.090 3.877 17 2HO* C 2 2HO* C 2 2.500 -17.487 3.048 18 H1* C 2 H1* C 2 4.405 -17.068 5.515 19 1H4 C 2 1H4 C 2 6.460 -11.612 7.987 20 2H4 C 2 2H4 C 2 7.686 -11.474 6.753 21 H5 C 2 H5 C 2 7.587 -12.821 4.712 22 H6 C 2 H6 C 2 6.843 -14.961 3.810 23 1H5* C 3 1H5* C 3 0.385 -13.837 1.322 24 2H5* C 3 2H5* C 3 1.557 -12.566 1.708 25 H4* C 3 H4* C 3 0.012 -14.347 3.590 26 H3* C 3 H3* C 3 0.432 -11.375 3.234 27 H2* C 3 H2* C 3 0.242 -11.033 5.539 28 2HO* C 3 2HO* C 3 -0.839 -12.273 6.875 29 H1* C 3 H1* C 3 1.561 -13.348 6.333 30 1H4 C 3 1H4 C 3 5.878 -8.688 6.764 31 2H4 C 3 2H4 C 3 6.037 -8.626 5.023 32 H5 C 3 H5 C 3 5.024 -10.378 3.635 33 H6 C 3 H6 C 3 3.335 -12.109 3.534 34 1H5* C 4 1H5* C 4 -3.712 -10.358 4.700 35 2H5* C 4 2H5* C 4 -1.940 -10.410 4.644 36 H4* C 4 H4* C 4 -3.477 -10.338 7.245 37 H3* C 4 H3* C 4 -2.611 -8.021 5.483 38 H2* C 4 H2* C 4 -1.883 -6.843 7.372 39 2HO* C 4 2HO* C 4 -2.420 -7.749 9.531 40 H1* C 4 H1* C 4 -0.941 -9.029 8.810 41 1H4 C 4 1H4 C 4 3.797 -5.927 5.646 42 2H4 C 4 2H4 C 4 4.343 -7.563 5.372 43 H5 C 4 H5 C 4 1.963 -8.535 4.423 44 H6 C 4 H6 C 4 -0.057 -9.333 5.353 45 1H5* U 5 1H5* U 5 -4.566 -6.282 8.614 46 2H5* U 5 2H5* U 5 -5.801 -5.139 8.042 47 H4* U 5 H4* U 5 -4.399 -3.941 9.553 48 H3* U 5 H3* U 5 -3.701 -3.301 6.673 49 H2* U 5 H2* U 5 -2.106 -1.765 7.483 50 2HO* U 5 2HO* U 5 -3.557 -1.897 9.926 51 H1* U 5 H1* U 5 -1.455 -3.246 9.788 52 H3 U 5 H3 U 5 2.329 -2.471 7.429 53 H5 U 5 H5 U 5 0.460 -5.598 5.374 54 H6 U 5 H6 U 5 -1.486 -5.208 6.727 55 1H5* G 6 1H5* G 6 -1.843 0.033 8.152 56 2H5* G 6 2H5* G 6 -3.124 1.257 8.300 57 H4* G 6 H4* G 6 -2.027 2.485 6.777 58 H3* G 6 H3* G 6 -2.675 0.118 4.989 59 H2* G 6 H2* G 6 -1.215 0.971 3.355 60 2HO* G 6 2HO* G 6 -0.758 3.049 3.127 61 H1* G 6 H1* G 6 0.687 2.010 5.128 62 H8 G 6 H8 G 6 -0.958 -1.501 5.242 63 H1 G 6 H1 G 6 5.011 -1.266 2.857 64 1H2 G 6 1H2 G 6 5.604 0.877 2.544 65 2H2 G 6 2H2 G 6 4.826 2.113 3.514 66 1H5* A 7 1H5* A 7 -4.615 1.834 0.799 67 2H5* A 7 2H5* A 7 -3.700 0.314 0.807 68 H4* A 7 H4* A 7 -2.836 1.731 -0.950 69 H3* A 7 H3* A 7 -1.019 1.618 1.483 70 H2* A 7 H2* A 7 0.511 3.000 0.310 71 2HO* A 7 2HO* A 7 -0.002 3.401 -2.025 72 H1* A 7 H1* A 7 -1.442 4.444 -1.072 73 H8 A 7 H8 A 7 -2.414 4.584 2.495 74 1H6 A 7 1H6 A 7 0.854 9.124 3.321 75 2H6 A 7 2H6 A 7 1.721 7.823 4.107 76 H2 A 7 H2 A 7 2.594 7.042 -0.690 77 1H5* A 8 1H5* A 8 0.923 0.439 -1.550 78 2H5* A 8 2H5* A 8 2.177 -0.817 -1.678 79 H4* A 8 H4* A 8 3.259 1.285 -2.048 80 H3* A 8 H3* A 8 3.670 0.264 0.783 81 H2* A 8 H2* A 8 5.095 2.129 1.195 82 2HO* A 8 2HO* A 8 4.988 3.186 -1.355 83 H1* A 8 H1* A 8 3.536 3.940 -0.271 84 H8 A 8 H8 A 8 1.235 1.832 1.802 85 1H6 A 8 1H6 A 8 2.313 5.750 6.448 86 2H6 A 8 2H6 A 8 1.671 4.160 6.099 87 H2 A 8 H2 A 8 5.415 6.496 3.264 88 1H5* A 9 2H5* A 9 8.288 -1.493 -1.840 89 2H5* A 9 1H5* A 9 7.326 -0.411 -0.810 90 H4* A 9 H4* A 9 9.476 0.328 -2.424 91 H3* A 9 H3* A 9 7.206 1.907 -1.187 92 H2* A 9 H2* A 9 8.021 3.848 -2.268 93 2HO* A 9 2HO* A 9 10.297 2.478 -3.199 94 H1* A 9 H1* A 9 8.684 2.544 -4.648 95 H8 A 9 H8 A 9 6.307 4.253 -2.548 96 1H6 A 9 1H6 A 9 2.409 4.441 -5.494 97 2H6 A 9 2H6 A 9 1.802 3.303 -6.677 98 H2 A 9 H2 A 9 5.276 0.682 -7.780 99 1H5* A 10 1H5* A 10 10.100 1.151 3.879 100 2H5* A 10 2H5* A 10 8.394 1.463 3.503 101 H4* A 10 H4* A 10 10.291 3.780 3.719 102 H3* A 10 H3* A 10 9.142 2.176 6.003 103 H2* A 10 H2* A 10 8.566 4.139 7.159 104 2HO* A 10 2HO* A 10 9.414 6.141 6.656 105 H1* A 10 H1* A 10 7.797 5.629 4.932 106 H8 A 10 H8 A 10 6.205 2.551 4.055 107 1H6 A 10 1H6 A 10 1.895 3.521 8.336 108 2H6 A 10 2H6 A 10 2.597 2.202 7.427 109 H2 A 10 H2 A 10 5.443 6.150 9.327 110 1H5* A 11 1H5* A 11 9.938 4.750 8.635 111 2H5* A 11 2H5* A 11 10.717 3.841 9.951 112 H4* A 11 H4* A 11 8.365 4.613 10.447 113 H3* A 11 H3* A 11 9.039 1.661 10.462 114 H2* A 11 H2* A 11 6.804 1.154 11.016 115 2HO* A 11 2HO* A 11 6.307 3.904 11.479 116 H1* A 11 H1* A 11 5.612 3.123 9.480 117 H8 A 11 H8 A 11 8.353 1.471 7.489 118 1H6 A 11 1H6 A 11 4.564 -3.132 6.311 119 2H6 A 11 2H6 A 11 5.323 -1.963 5.257 120 H2 A 11 H2 A 11 2.427 -0.320 9.215 121 1H5* G 12 1H5* G 12 9.227 -1.300 13.368 122 2H5* G 12 2H5* G 12 8.987 -0.412 11.853 123 H4* G 12 H4* G 12 6.893 0.159 13.803 124 H3* G 12 H3* G 12 7.368 -2.713 12.996 125 H2* G 12 H2* G 12 5.048 -2.977 12.601 126 2HO* G 12 2HO* G 12 4.815 -1.249 14.591 127 H1* G 12 H1* G 12 4.628 -0.437 11.504 128 H8 G 12 H8 G 12 7.556 -1.149 9.659 129 H1 G 12 H1 G 12 3.006 -5.439 8.191 130 1H2 G 12 1H2 G 12 1.516 -5.550 9.814 131 2H2 G 12 2H2 G 12 1.410 -4.295 11.028 132 1H5* G 13 1H5* G 13 4.882 -3.301 16.142 133 2H5* G 13 2H5* G 13 5.343 -4.509 17.359 134 H4* G 13 H4* G 13 3.274 -5.189 16.289 135 H3* G 13 H3* G 13 5.703 -6.736 15.318 136 H2* G 13 H2* G 13 4.306 -8.014 13.962 137 2HO* G 13 2HO* G 13 2.637 -8.662 15.180 138 H1* G 13 H1* G 13 2.495 -5.945 13.370 139 H8 G 13 H8 G 13 5.877 -4.611 12.676 140 H1 G 13 H1 G 13 3.941 -8.916 8.314 141 1H2 G 13 1H2 G 13 2.307 -10.160 9.185 142 2H2 G 13 2H2 G 13 1.332 -9.504 10.481 143 1H5* G 14 1H5* G 14 0.740 -8.654 15.944 144 2H5* G 14 2H5* G 14 0.666 -9.409 17.552 145 H4* G 14 H4* G 14 0.150 -11.254 16.278 146 H3* G 14 H3* G 14 3.179 -11.156 16.122 147 H2* G 14 H2* G 14 3.079 -13.087 14.746 148 2HO* G 14 2HO* G 14 1.231 -14.319 14.524 149 H1* G 14 H1* G 14 0.822 -12.273 13.322 150 H8 G 14 H8 G 14 3.435 -9.587 14.031 151 H1 G 14 H1 G 14 4.561 -13.074 8.745 152 1H2 G 14 1H2 G 14 2.854 -14.541 8.491 153 2H2 G 14 2H2 G 14 2.196 -15.211 9.967 154 1H5* C 15 1H5* C 15 1.776 -14.988 16.619 155 2H5* C 15 2H5* C 15 2.701 -15.943 17.798 156 H4* C 15 H4* C 15 2.536 -17.171 15.691 157 H3* C 15 H3* C 15 5.292 -16.027 16.247 158 H2* C 15 H2* C 15 6.057 -17.073 14.279 159 2HO* C 15 2HO* C 15 5.164 -19.137 14.667 160 H1* C 15 H1* C 15 3.642 -16.769 12.857 161 1H4 C 15 1H4 C 15 7.679 -12.615 10.302 162 2H4 C 15 2H4 C 15 7.789 -11.708 11.800 163 H5 C 15 H5 C 15 6.180 -12.128 13.616 164 H6 C 15 H6 C 15 4.733 -13.788 14.598 165 2H ASP 2 2H ASP 2 9.544 -8.762 -0.649 166 1H ASP 2 1H ASP 2 9.256 -9.741 -2.007 167 3H ASP 2 3H ASP 2 10.808 -9.670 -1.329 168 HA ASP 2 HA ASP 2 9.895 -11.713 -0.580 169 1HB ASP 2 1HB ASP 2 9.478 -9.612 1.563 170 2HB ASP 2 2HB ASP 2 9.949 -11.289 1.807 171 H ALA 3 H ALA 3 8.109 -11.999 1.549 172 HA ALA 3 HA ALA 3 5.603 -12.416 0.272 173 1HB ALA 3 1HB ALA 3 6.494 -13.465 2.378 174 2HB ALA 3 2HB ALA 3 6.173 -11.945 3.212 175 3HB ALA 3 3HB ALA 3 4.838 -12.878 2.536 176 H GLN 4 H GLN 4 6.855 -9.643 2.061 177 HA GLN 4 HA GLN 4 4.315 -8.245 2.200 178 1HB GLN 4 1HB GLN 4 6.576 -8.008 3.545 179 2HB GLN 4 2HB GLN 4 7.042 -6.946 2.218 180 1HG GLN 4 1HG GLN 4 4.385 -6.261 3.082 181 2HG GLN 4 2HG GLN 4 5.453 -6.295 4.475 182 1HE2 GLN 4 2HE2 GLN 4 5.162 -4.893 1.185 183 2HE2 GLN 4 1HE2 GLN 4 6.119 -3.530 1.514 184 H THR 5 H THR 5 7.236 -7.707 0.210 185 HA THR 5 HA THR 5 6.145 -5.784 -1.562 186 HB THR 5 HB THR 5 8.102 -8.071 -2.003 187 HG1 THR 5 HG1 THR 5 8.547 -5.312 -1.539 188 1HG2 THR 5 1HG2 THR 5 7.466 -5.639 -3.687 189 2HG2 THR 5 2HG2 THR 5 8.930 -6.606 -3.889 190 3HG2 THR 5 3HG2 THR 5 7.345 -7.333 -4.162 191 H ARG 6 H ARG 6 5.744 -9.248 -1.305 192 HA ARG 6 HA ARG 6 4.389 -9.677 -3.833 193 1HB ARG 6 1HB ARG 6 5.152 -11.123 -1.409 194 2HB ARG 6 2HB ARG 6 3.542 -11.585 -1.971 195 1HG ARG 6 1HG ARG 6 4.358 -12.599 -3.849 196 2HG ARG 6 2HG ARG 6 5.594 -11.365 -4.099 197 1HD ARG 6 1HD ARG 6 6.947 -13.160 -3.485 198 2HD ARG 6 2HD ARG 6 6.613 -12.484 -1.879 199 HE ARG 6 HE ARG 6 5.235 -14.349 -1.439 200 1HH1 ARG 6 1HH1 ARG 6 5.795 -13.990 -4.847 201 2HH1 ARG 6 2HH1 ARG 6 4.993 -15.469 -5.252 202 1HH2 ARG 6 1HH2 ARG 6 4.197 -16.268 -1.979 203 2HH2 ARG 6 2HH2 ARG 6 4.093 -16.752 -3.639 204 H ARG 7 H ARG 7 3.337 -9.313 -0.432 205 HA ARG 7 HA ARG 7 0.557 -9.548 -0.981 206 1HB ARG 7 1HB ARG 7 1.468 -9.706 1.260 207 2HB ARG 7 2HB ARG 7 2.130 -8.074 1.159 208 1HG ARG 7 1HG ARG 7 -0.300 -7.288 0.799 209 2HG ARG 7 2HG ARG 7 -0.777 -8.899 1.331 210 1HD ARG 7 1HD ARG 7 -0.151 -8.504 3.505 211 2HD ARG 7 2HD ARG 7 1.189 -7.448 3.042 212 HE ARG 7 HE ARG 7 -0.323 -5.635 3.091 213 1HH1 ARG 7 1HH1 ARG 7 -2.012 -8.648 2.860 214 2HH1 ARG 7 2HH1 ARG 7 -3.569 -7.914 3.016 215 1HH2 ARG 7 1HH2 ARG 7 -2.311 -4.688 3.292 216 2HH2 ARG 7 2HH2 ARG 7 -3.739 -5.661 3.261 217 H ARG 8 H ARG 8 2.800 -6.856 -1.195 218 HA ARG 8 HA ARG 8 1.030 -4.648 -1.414 219 1HB ARG 8 1HB ARG 8 3.744 -5.188 -1.610 220 2HB ARG 8 2HB ARG 8 3.348 -4.742 -3.263 221 1HG ARG 8 1HG ARG 8 4.066 -2.808 -1.827 222 2HG ARG 8 2HG ARG 8 2.476 -2.605 -2.552 223 1HD ARG 8 1HD ARG 8 2.847 -2.078 0.027 224 2HD ARG 8 2HD ARG 8 1.367 -2.890 -0.507 225 HE ARG 8 HE ARG 8 3.554 -4.739 0.076 226 1HH1 ARG 8 1HH1 ARG 8 0.870 -2.952 1.350 227 2HH1 ARG 8 2HH1 ARG 8 0.642 -4.020 2.686 228 1HH2 ARG 8 2HH2 ARG 8 3.247 -6.115 1.809 229 2HH2 ARG 8 1HH2 ARG 8 1.980 -5.803 2.945 230 H GLU 9 H GLU 9 2.134 -6.966 -3.865 231 HA GLU 9 HA GLU 9 0.806 -5.734 -6.086 232 1HB GLU 9 1HB GLU 9 1.466 -8.633 -5.444 233 2HB GLU 9 2HB GLU 9 0.977 -8.064 -7.040 234 1HG GLU 9 1HG GLU 9 3.121 -6.415 -6.006 235 2HG GLU 9 2HG GLU 9 3.593 -8.114 -5.983 236 H ARG 10 H ARG 10 -0.224 -7.758 -3.455 237 HA ARG 10 HA ARG 10 -2.911 -8.227 -4.505 238 1HB ARG 10 1HB ARG 10 -1.192 -9.079 -2.341 239 2HB ARG 10 2HB ARG 10 -2.751 -8.579 -1.689 240 1HG ARG 10 1HG ARG 10 -3.927 -10.193 -2.908 241 2HG ARG 10 2HG ARG 10 -2.645 -10.359 -4.107 242 1HD ARG 10 1HD ARG 10 -1.228 -11.543 -2.540 243 2HD ARG 10 2HD ARG 10 -2.352 -11.213 -1.206 244 HE ARG 10 HE ARG 10 -3.902 -12.459 -3.174 245 1HH1 ARG 10 1HH1 ARG 10 -1.058 -13.196 -1.326 246 2HH1 ARG 10 2HH1 ARG 10 -1.353 -14.902 -1.331 247 1HH2 ARG 10 1HH2 ARG 10 -4.277 -14.677 -3.174 248 2HH2 ARG 10 2HH2 ARG 10 -3.166 -15.737 -2.372 249 H ARG 11 H ARG 11 -1.211 -5.678 -2.980 250 HA ARG 11 HA ARG 11 -3.676 -4.484 -1.836 251 1HB ARG 11 1HB ARG 11 -0.745 -3.705 -1.828 252 2HB ARG 11 2HB ARG 11 -2.022 -2.812 -1.003 253 1HG ARG 11 1HG ARG 11 -1.190 -5.682 -0.454 254 2HG ARG 11 2HG ARG 11 -0.921 -4.310 0.603 255 1HD ARG 11 1HD ARG 11 -3.007 -4.515 1.478 256 2HD ARG 11 2HD ARG 11 -3.741 -4.534 -0.128 257 HE ARG 11 HE ARG 11 -2.334 -7.009 0.412 258 1HH1 ARG 11 1HH1 ARG 11 -5.269 -5.249 0.983 259 2HH1 ARG 11 2HH1 ARG 11 -6.219 -6.675 1.219 260 1HH2 ARG 11 1HH2 ARG 11 -3.577 -8.856 0.719 261 2HH2 ARG 11 2HH2 ARG 11 -5.267 -8.709 1.070 262 H ALA 12 H ALA 12 -2.341 -4.640 -4.870 263 HA ALA 12 HA ALA 12 -2.155 -1.936 -5.770 264 1HB ALA 12 1HB ALA 12 -1.710 -4.133 -7.014 265 2HB ALA 12 2HB ALA 12 -3.454 -4.264 -7.240 266 3HB ALA 12 3HB ALA 12 -2.573 -2.911 -7.949 267 H GLU 13 H GLU 13 -4.905 -3.904 -4.852 268 HA GLU 13 HA GLU 13 -6.937 -2.135 -5.968 269 1HB GLU 13 1HB GLU 13 -6.977 -4.321 -3.855 270 2HB GLU 13 2HB GLU 13 -8.419 -3.590 -4.561 271 1HG GLU 13 1HG GLU 13 -8.295 -5.180 -6.160 272 2HG GLU 13 2HG GLU 13 -6.891 -4.309 -6.779 273 H LYS 14 H LYS 14 -5.194 -2.514 -2.912 274 HA LYS 14 HA LYS 14 -6.824 -0.531 -1.488 275 1HB LYS 14 1HB LYS 14 -4.116 -1.827 -0.967 276 2HB LYS 14 2HB LYS 14 -5.015 -0.871 0.213 277 1HG LYS 14 1HG LYS 14 -6.340 -3.213 -1.119 278 2HG LYS 14 2HG LYS 14 -5.246 -3.479 0.240 279 1HD LYS 14 1HD LYS 14 -6.737 -1.455 1.242 280 2HD LYS 14 2HD LYS 14 -7.933 -2.222 0.196 281 1HE LYS 14 1HE LYS 14 -6.251 -3.930 2.022 282 2HE LYS 14 2HE LYS 14 -7.683 -3.099 2.655 283 1HZ LYS 14 1HZ LYS 14 -8.955 -4.010 0.775 284 2HZ LYS 14 2HZ LYS 14 -7.588 -4.894 0.287 285 3HZ LYS 14 3HZ LYS 14 -8.335 -5.232 1.776 286 H GLN 15 H GLN 15 -3.819 -0.749 -3.239 287 HA GLN 15 HA GLN 15 -2.807 1.899 -2.758 288 1HB GLN 15 1HB GLN 15 -2.248 -0.542 -4.264 289 2HB GLN 15 2HB GLN 15 -1.842 0.884 -5.205 290 1HG GLN 15 1HG GLN 15 -0.217 1.581 -3.694 291 2HG GLN 15 2HG GLN 15 -1.003 0.773 -2.337 292 1HE2 GLN 15 2HE2 GLN 15 -1.058 -1.733 -2.557 293 2HE2 GLN 15 1HE2 GLN 15 0.346 -2.470 -3.169 294 H ALA 16 H ALA 16 -4.495 0.409 -5.529 295 HA ALA 16 HA ALA 16 -4.696 2.853 -7.052 296 1HB ALA 16 1HB ALA 16 -4.905 0.498 -7.906 297 2HB ALA 16 2HB ALA 16 -6.459 0.373 -7.081 298 3HB ALA 16 3HB ALA 16 -6.252 1.522 -8.402 299 H GLN 17 H GLN 17 -6.598 1.486 -4.426 300 HA GLN 17 HA GLN 17 -8.885 3.280 -4.881 301 1HB GLN 17 1HB GLN 17 -7.955 1.292 -2.812 302 2HB GLN 17 2HB GLN 17 -9.293 2.373 -2.430 303 1HG GLN 17 1HG GLN 17 -9.211 0.650 -4.917 304 2HG GLN 17 2HG GLN 17 -9.986 0.148 -3.414 305 1HE2 GLN 17 2HE2 GLN 17 -10.681 1.563 -6.352 306 2HE2 GLN 17 1HE2 GLN 17 -12.057 2.454 -5.912 307 H TRP 18 H TRP 18 -5.969 3.125 -2.955 308 HA TRP 18 HA TRP 18 -6.501 5.541 -1.398 309 1HB TRP 18 1HB TRP 18 -5.057 3.740 -0.570 310 2HB TRP 18 2HB TRP 18 -4.054 3.846 -2.002 311 HD1 TRP 18 HD1 TRP 18 -4.612 5.530 1.342 312 HE1 TRP 18 HE1 TRP 18 -2.848 7.399 1.624 313 HE3 TRP 18 HE3 TRP 18 -2.615 5.544 -3.296 314 HZ2 TRP 18 HZ2 TRP 18 -0.835 8.706 0.059 315 HZ3 TRP 18 HZ3 TRP 18 -0.804 7.068 -3.889 316 HH2 TRP 18 HH2 TRP 18 0.103 8.628 -2.243 317 H LYS 19 H LYS 19 -4.434 4.617 -4.106 318 HA LYS 19 HA LYS 19 -3.214 7.132 -4.621 319 1HB LYS 19 1HB LYS 19 -3.882 4.686 -6.272 320 2HB LYS 19 2HB LYS 19 -3.045 6.066 -6.969 321 1HG LYS 19 1HG LYS 19 -1.391 5.849 -5.025 322 2HG LYS 19 2HG LYS 19 -2.100 4.261 -4.753 323 1HD LYS 19 1HD LYS 19 -1.133 5.083 -7.487 324 2HD LYS 19 2HD LYS 19 -0.022 4.407 -6.294 325 1HE LYS 19 1HE LYS 19 -2.133 2.641 -6.153 326 2HE LYS 19 2HE LYS 19 -2.103 3.051 -7.878 327 1HZ LYS 19 1HZ LYS 19 0.354 2.422 -6.344 328 2HZ LYS 19 2HZ LYS 19 -0.534 1.227 -7.163 329 3HZ LYS 19 3HZ LYS 19 0.168 2.505 -8.030 330 H ALA 20 H ALA 20 -6.282 5.700 -5.597 331 HA ALA 20 HA ALA 20 -7.019 7.607 -7.562 332 1HB ALA 20 1HB ALA 20 -8.288 5.598 -5.814 333 2HB ALA 20 2HB ALA 20 -9.368 6.866 -6.393 334 3HB ALA 20 3HB ALA 20 -8.489 5.860 -7.546 335 H ALA 21 H ALA 21 -7.079 7.700 -4.053 336 HA ALA 21 HA ALA 21 -8.218 10.459 -4.191 337 1HB ALA 21 1HB ALA 21 -9.399 8.333 -3.070 338 2HB ALA 21 2HB ALA 21 -8.369 8.799 -1.716 339 3HB ALA 21 3HB ALA 21 -9.547 9.942 -2.363 340 H ASN 22 H ASN 22 -5.412 9.514 -4.285 341 HA ASN 22 HA ASN 22 -4.363 11.363 -2.237 342 1HB ASN 22 1HB ASN 22 -3.654 8.421 -2.350 343 2HB ASN 22 2HB ASN 22 -2.772 9.620 -1.407 344 1HD2 ASN 22 2HD2 ASN 22 -5.099 7.327 -1.067 345 2HD2 ASN 22 1HD2 ASN 22 -5.980 7.982 0.228 346 HA PRO 23 HA PRO 23 -1.987 10.898 -6.290 347 1HB PRO 23 1HB PRO 23 -2.808 13.235 -7.471 348 2HB PRO 23 2HB PRO 23 -3.631 11.684 -7.739 349 1HG PRO 23 1HG PRO 23 -4.380 13.938 -5.951 350 2HG PRO 23 2HG PRO 23 -5.410 12.884 -6.933 351 1HD PRO 23 1HD PRO 23 -5.073 12.579 -4.244 352 2HD PRO 23 2HD PRO 23 -5.468 11.237 -5.330 353 H LEU 24 H LEU 24 -2.876 13.422 -4.051 354 HA LEU 24 HA LEU 24 -0.727 15.254 -4.352 355 1HB LEU 24 1HB LEU 24 -1.554 16.098 -2.324 356 2HB LEU 24 2HB LEU 24 -2.928 15.126 -2.840 357 HG LEU 24 HG LEU 24 -0.757 14.019 -1.033 358 1HD1 LEU 24 1HD1 LEU 24 -3.333 15.427 -0.294 359 2HD1 LEU 24 2HD1 LEU 24 -2.370 14.468 0.831 360 3HD1 LEU 24 3HD1 LEU 24 -1.693 15.932 0.116 361 1HD2 LEU 24 1HD2 LEU 24 -2.813 12.756 -2.387 362 2HD2 LEU 24 2HD2 LEU 24 -2.047 12.135 -0.927 363 3HD2 LEU 24 3HD2 LEU 24 -3.541 13.067 -0.814 364 H LEU 25 H LEU 25 -0.953 12.152 -2.735 365 HA LEU 25 HA LEU 25 1.898 12.270 -1.881 366 1HB LEU 25 1HB LEU 25 -0.614 10.835 -1.139 367 2HB LEU 25 2HB LEU 25 0.879 9.906 -0.985 368 HG LEU 25 HG LEU 25 1.017 12.655 0.096 369 1HD1 LEU 25 1HD1 LEU 25 -1.068 10.728 0.936 370 2HD1 LEU 25 2HD1 LEU 25 -0.104 11.406 2.248 371 3HD1 LEU 25 3HD1 LEU 25 -0.992 12.475 1.163 372 1HD2 LEU 25 1HD2 LEU 25 2.635 10.541 0.223 373 2HD2 LEU 25 2HD2 LEU 25 2.510 11.669 1.574 374 3HD2 LEU 25 3HD2 LEU 25 1.624 10.144 1.612 375 H VAL 26 H VAL 26 1.020 12.146 -4.613 376 HA VAL 26 HA VAL 26 2.339 9.645 -5.485 377 HB VAL 26 HB VAL 26 -0.531 10.278 -5.421 378 1HG1 VAL 26 1HG1 VAL 26 0.756 9.615 -8.081 379 2HG1 VAL 26 2HG1 VAL 26 -0.931 9.242 -7.725 380 3HG1 VAL 26 3HG1 VAL 26 -0.375 10.918 -7.705 381 1HG2 VAL 26 1HG2 VAL 26 0.583 8.209 -4.567 382 2HG2 VAL 26 2HG2 VAL 26 -0.715 7.867 -5.711 383 3HG2 VAL 26 3HG2 VAL 26 0.967 7.762 -6.231 384 H GLY 27 H GLY 27 3.665 10.174 -7.220 385 1HA GLY 27 1HA GLY 27 4.625 11.466 -8.938 386 2HA GLY 27 2HA GLY 27 2.962 11.849 -9.395 387 H VAL 28 H VAL 28 2.083 13.826 -8.776 388 HA VAL 28 HA VAL 28 2.276 16.161 -8.353 389 HB VAL 28 HB VAL 28 1.789 14.646 -6.218 390 1HG1 VAL 28 1HG1 VAL 28 4.475 14.809 -5.879 391 2HG1 VAL 28 2HG1 VAL 28 3.969 16.236 -4.980 392 3HG1 VAL 28 3HG1 VAL 28 3.344 14.647 -4.541 393 1HG2 VAL 28 1HG2 VAL 28 1.506 17.310 -6.882 394 2HG2 VAL 28 2HG2 VAL 28 0.837 16.545 -5.441 395 3HG2 VAL 28 3HG2 VAL 28 2.384 17.388 -5.353 396 H SER 29 H SER 29 4.013 17.462 -6.527 397 HA SER 29 HA SER 29 6.315 17.932 -8.207 398 1HB SER 29 1HB SER 29 6.581 18.849 -5.458 399 2HB SER 29 2HB SER 29 6.370 19.799 -6.924 400 HG SER 29 HG SER 29 4.475 18.788 -5.129 401 H ALA 30 H ALA 30 6.652 15.353 -7.997 402 HA ALA 30 HA ALA 30 8.972 14.997 -6.191 403 1HB ALA 30 1HB ALA 30 6.741 14.335 -5.073 404 2HB ALA 30 2HB ALA 30 6.681 13.013 -6.240 405 3HB ALA 30 3HB ALA 30 8.008 13.107 -5.080 406 H LYS 31 H LYS 31 9.053 15.270 -8.930 407 HA LYS 31 HA LYS 31 9.356 12.474 -9.971 408 1HB LYS 31 1HB LYS 31 8.819 15.155 -11.279 409 2HB LYS 31 2HB LYS 31 9.155 13.686 -12.195 410 1HG LYS 31 1HG LYS 31 7.169 13.004 -10.286 411 2HG LYS 31 2HG LYS 31 6.667 14.537 -11.000 412 1HD LYS 31 1HD LYS 31 7.667 12.354 -12.800 413 2HD LYS 31 2HD LYS 31 6.022 12.259 -12.171 414 1HE LYS 31 1HE LYS 31 6.307 14.929 -13.018 415 2HE LYS 31 2HE LYS 31 7.053 13.950 -14.296 416 1HZ LYS 31 1HZ LYS 31 5.063 12.443 -14.062 417 2HZ LYS 31 2HZ LYS 31 4.335 13.675 -13.146 418 3HZ LYS 31 3HZ LYS 31 4.756 13.959 -14.764 419 HA PRO 32 HA PRO 32 13.643 14.007 -9.584 420 1HB PRO 32 1HB PRO 32 14.762 11.526 -9.290 421 2HB PRO 32 2HB PRO 32 14.056 12.437 -7.939 422 1HG PRO 32 1HG PRO 32 12.910 10.186 -9.509 423 2HG PRO 32 2HG PRO 32 12.777 10.543 -7.780 424 1HD PRO 32 1HD PRO 32 10.803 11.064 -9.601 425 2HD PRO 32 2HD PRO 32 11.006 11.958 -8.079 426 H VAL 33 H VAL 33 15.301 13.983 -11.172 427 HA VAL 33 HA VAL 33 16.193 13.733 -13.344 428 HB VAL 33 HB VAL 33 14.914 10.994 -13.046 429 1HG1 VAL 33 1HG1 VAL 33 16.521 12.217 -15.095 430 2HG1 VAL 33 2HG1 VAL 33 17.454 10.934 -14.324 431 3HG1 VAL 33 3HG1 VAL 33 15.880 10.576 -15.035 432 1HG2 VAL 33 1HG2 VAL 33 16.307 11.634 -11.081 433 2HG2 VAL 33 2HG2 VAL 33 17.033 10.319 -12.006 434 3HG2 VAL 33 3HG2 VAL 33 17.655 11.962 -12.168 435 H ASN 34 H ASN 34 14.976 15.133 -14.632 436 HA ASN 34 HA ASN 34 12.269 15.024 -15.331 437 1HB ASN 34 1HB ASN 34 13.967 16.814 -15.815 438 2HB ASN 34 2HB ASN 34 14.588 15.805 -17.124 439 1HD2 ASN 34 2HD2 ASN 34 13.899 17.517 -18.676 440 2HD2 ASN 34 1HD2 ASN 34 12.264 17.660 -19.107 441 H ARG 35 H ARG 35 11.200 13.270 -16.153 442 HA ARG 35 HA ARG 35 11.779 12.195 -18.746 443 1HB ARG 35 1HB ARG 35 13.288 11.147 -16.529 444 2HB ARG 35 2HB ARG 35 12.229 9.879 -17.144 445 1HG ARG 35 1HG ARG 35 13.057 10.540 -19.483 446 2HG ARG 35 2HG ARG 35 14.323 11.446 -18.655 447 1HD ARG 35 1HD ARG 35 15.265 9.489 -17.700 448 2HD ARG 35 2HD ARG 35 13.809 8.529 -18.031 449 HE ARG 35 HE ARG 35 14.862 9.628 -20.480 450 1HH1 ARG 35 1HH1 ARG 35 15.378 7.169 -18.085 451 2HH1 ARG 35 2HH1 ARG 35 16.175 6.098 -19.186 452 1HH2 ARG 35 1HH2 ARG 35 15.899 8.229 -21.903 453 2HH2 ARG 35 2HH2 ARG 35 16.469 6.694 -21.337 454 HA PRO 36 HA PRO 36 8.342 9.557 -16.748 455 1HB PRO 36 1HB PRO 36 7.885 9.785 -14.060 456 2HB PRO 36 2HB PRO 36 9.029 8.616 -14.749 457 1HG PRO 36 1HG PRO 36 9.554 11.246 -13.465 458 2HG PRO 36 2HG PRO 36 10.468 9.735 -13.357 459 1HD PRO 36 1HD PRO 36 11.213 11.838 -14.923 460 2HD PRO 36 2HD PRO 36 11.636 10.150 -15.275 Start of MODEL 17 1 1H5* G 1 1H5* G 1 11.912 -16.053 0.673 2 2H5* G 1 2H5* G 1 13.122 -15.998 1.975 3 H4* G 1 H4* G 1 11.812 -18.564 2.000 4 H3* G 1 H3* G 1 9.983 -16.137 1.944 5 H2* G 1 H2* G 1 8.734 -17.052 3.737 6 2HO* G 1 2HO* G 1 8.342 -19.112 3.701 7 H1* G 1 H1* G 1 10.886 -18.245 5.043 8 H8 G 1 H8 G 1 11.634 -14.683 4.031 9 H1 G 1 H1 G 1 8.078 -15.253 9.351 10 1H2 G 1 1H2 G 1 7.192 -17.323 9.415 11 2H2 G 1 2H2 G 1 8.095 -18.622 8.665 12 1H5* C 2 1H5* C 2 6.364 -15.378 1.060 13 2H5* C 2 2H5* C 2 7.720 -15.773 2.136 14 H4* C 2 H4* C 2 5.567 -17.659 2.534 15 H3* C 2 H3* C 2 4.873 -14.717 2.609 16 H2* C 2 H2* C 2 3.703 -15.009 4.622 17 2HO* C 2 2HO* C 2 2.460 -16.730 4.539 18 H1* C 2 H1* C 2 5.431 -16.888 5.743 19 1H4 C 2 1H4 C 2 6.936 -11.360 8.445 20 2H4 C 2 2H4 C 2 7.647 -10.770 6.960 21 H5 C 2 H5 C 2 7.829 -12.183 4.978 22 H6 C 2 H6 C 2 7.504 -14.496 4.168 23 1H5* C 3 1H5* C 3 -0.027 -13.599 1.794 24 2H5* C 3 2H5* C 3 1.525 -12.881 2.272 25 H4* C 3 H4* C 3 -0.370 -14.332 4.145 26 H3* C 3 H3* C 3 0.159 -11.392 3.650 27 H2* C 3 H2* C 3 -0.089 -10.964 5.948 28 2HO* C 3 2HO* C 3 -1.567 -11.985 6.998 29 H1* C 3 H1* C 3 1.178 -13.285 6.819 30 1H4 C 3 1H4 C 3 5.594 -8.720 7.207 31 2H4 C 3 2H4 C 3 5.682 -8.594 5.464 32 H5 C 3 H5 C 3 4.676 -10.368 4.081 33 H6 C 3 H6 C 3 3.010 -12.139 4.014 34 1H5* C 4 1H5* C 4 -4.063 -10.198 4.959 35 2H5* C 4 2H5* C 4 -2.290 -10.221 4.910 36 H4* C 4 H4* C 4 -3.876 -9.978 7.476 37 H3* C 4 H3* C 4 -2.861 -7.800 5.613 38 H2* C 4 H2* C 4 -2.163 -6.544 7.465 39 2HO* C 4 2HO* C 4 -3.820 -8.243 9.031 40 H1* C 4 H1* C 4 -1.386 -8.689 9.066 41 1H4 C 4 1H4 C 4 3.644 -5.894 6.104 42 2H4 C 4 2H4 C 4 4.126 -7.553 5.863 43 H5 C 4 H5 C 4 1.801 -8.522 4.866 44 H6 C 4 H6 C 4 -0.282 -9.235 5.714 45 1H5* U 5 1H5* U 5 -4.884 -5.859 8.578 46 2H5* U 5 2H5* U 5 -6.061 -4.703 7.918 47 H4* U 5 H4* U 5 -4.681 -3.499 9.446 48 H3* U 5 H3* U 5 -3.871 -2.967 6.570 49 H2* U 5 H2* U 5 -2.265 -1.445 7.383 50 2HO* U 5 2HO* U 5 -2.343 -0.665 9.542 51 H1* U 5 H1* U 5 -1.731 -2.866 9.758 52 H3 U 5 H3 U 5 2.143 -2.246 7.490 53 H5 U 5 H5 U 5 0.288 -5.422 5.514 54 H6 U 5 H6 U 5 -1.695 -4.926 6.763 55 1H5* G 6 1H5* G 6 -1.973 0.385 8.020 56 2H5* G 6 2H5* G 6 -3.253 1.617 8.102 57 H4* G 6 H4* G 6 -2.092 2.808 6.598 58 H3* G 6 H3* G 6 -2.766 0.431 4.839 59 H2* G 6 H2* G 6 -1.251 1.199 3.214 60 2HO* G 6 2HO* G 6 -0.723 3.256 2.949 61 H1* G 6 H1* G 6 0.668 2.192 4.979 62 H8 G 6 H8 G 6 -1.159 -1.217 5.214 63 H1 G 6 H1 G 6 4.835 -1.402 2.895 64 1H2 G 6 1H2 G 6 5.526 0.699 2.461 65 2H2 G 6 2H2 G 6 4.842 1.996 3.424 66 1H5* A 7 1H5* A 7 -4.589 2.051 0.580 67 2H5* A 7 2H5* A 7 -3.696 0.522 0.685 68 H4* A 7 H4* A 7 -2.793 1.837 -1.137 69 H3* A 7 H3* A 7 -1.001 1.795 1.317 70 H2* A 7 H2* A 7 0.568 3.090 0.103 71 2HO* A 7 2HO* A 7 0.736 3.073 -2.040 72 H1* A 7 H1* A 7 -1.337 4.513 -1.366 73 H8 A 7 H8 A 7 -2.337 4.829 2.182 74 1H6 A 7 1H6 A 7 1.422 7.959 3.804 75 2H6 A 7 2H6 A 7 1.502 9.360 2.759 76 H2 A 7 H2 A 7 2.769 7.013 -1.047 77 1H5* A 8 1H5* A 8 0.918 0.468 -1.630 78 2H5* A 8 2H5* A 8 2.146 -0.814 -1.735 79 H4* A 8 H4* A 8 3.267 1.259 -2.142 80 H3* A 8 H3* A 8 3.667 0.275 0.701 81 H2* A 8 H2* A 8 5.095 2.124 1.103 82 2HO* A 8 2HO* A 8 6.195 3.111 -0.426 83 H1* A 8 H1* A 8 3.600 3.938 -0.430 84 H8 A 8 H8 A 8 1.278 1.896 1.709 85 1H6 A 8 1H6 A 8 1.423 4.618 5.750 86 2H6 A 8 2H6 A 8 2.572 5.792 6.352 87 H2 A 8 H2 A 8 5.407 6.657 2.985 88 1H5* A 9 2H5* A 9 8.200 -1.678 -1.902 89 2H5* A 9 1H5* A 9 7.260 -0.599 -0.851 90 H4* A 9 H4* A 9 9.484 0.086 -2.426 91 H3* A 9 H3* A 9 7.356 1.721 -1.021 92 H2* A 9 H2* A 9 8.252 3.678 -2.004 93 2HO* A 9 2HO* A 9 10.515 2.064 -2.526 94 H1* A 9 H1* A 9 8.820 2.507 -4.475 95 H8 A 9 H8 A 9 6.514 4.174 -2.228 96 1H6 A 9 1H6 A 9 2.359 4.353 -6.718 97 2H6 A 9 2H6 A 9 2.369 4.310 -4.969 98 H2 A 9 H2 A 9 5.417 1.169 -7.792 99 1H5* A 10 1H5* A 10 9.870 0.946 4.100 100 2H5* A 10 2H5* A 10 8.215 1.295 3.561 101 H4* A 10 H4* A 10 10.173 3.556 3.614 102 H3* A 10 H3* A 10 8.988 2.204 6.038 103 H2* A 10 H2* A 10 8.429 4.272 6.998 104 2HO* A 10 2HO* A 10 9.229 6.250 5.937 105 H1* A 10 H1* A 10 7.690 5.557 4.642 106 H8 A 10 H8 A 10 6.050 2.483 3.983 107 1H6 A 10 1H6 A 10 2.224 3.074 8.654 108 2H6 A 10 2H6 A 10 1.986 3.080 6.921 109 H2 A 10 H2 A 10 5.372 6.373 9.047 110 1H5* A 11 1H5* A 11 9.618 5.139 8.477 111 2H5* A 11 2H5* A 11 10.467 4.366 9.835 112 H4* A 11 H4* A 11 8.090 4.982 10.347 113 H3* A 11 H3* A 11 8.923 2.070 10.412 114 H2* A 11 H2* A 11 6.727 1.454 10.997 115 2HO* A 11 2HO* A 11 6.736 3.665 12.368 116 H1* A 11 H1* A 11 5.410 3.350 9.458 117 H8 A 11 H8 A 11 8.230 1.624 7.568 118 1H6 A 11 1H6 A 11 4.393 -2.984 6.495 119 2H6 A 11 2H6 A 11 5.253 -1.897 5.432 120 H2 A 11 H2 A 11 2.226 0.009 9.176 121 1H5* G 12 1H5* G 12 8.584 -0.657 13.810 122 2H5* G 12 2H5* G 12 8.502 0.060 12.191 123 H4* G 12 H4* G 12 6.267 0.913 13.848 124 H3* G 12 H3* G 12 6.756 -2.053 13.510 125 H2* G 12 H2* G 12 4.487 -2.380 12.947 126 2HO* G 12 2HO* G 12 4.080 0.191 14.076 127 H1* G 12 H1* G 12 4.167 -0.003 11.522 128 H8 G 12 H8 G 12 7.215 -0.905 9.975 129 H1 G 12 H1 G 12 2.668 -5.190 8.493 130 1H2 G 12 1H2 G 12 0.912 -4.917 9.806 131 2H2 G 12 2H2 G 12 1.060 -4.053 11.319 132 1H5* G 13 1H5* G 13 5.662 -4.503 17.468 133 2H5* G 13 2H5* G 13 6.536 -5.476 16.287 134 H4* G 13 H4* G 13 3.673 -5.332 16.894 135 H3* G 13 H3* G 13 5.545 -7.214 15.463 136 H2* G 13 H2* G 13 3.765 -8.149 14.296 137 2HO* G 13 2HO* G 13 2.222 -8.554 15.782 138 H1* G 13 H1* G 13 2.290 -5.832 13.916 139 H8 G 13 H8 G 13 5.610 -4.648 13.166 140 H1 G 13 H1 G 13 3.614 -8.914 8.785 141 1H2 G 13 1H2 G 13 1.652 -9.773 9.456 142 2H2 G 13 2H2 G 13 1.364 -9.891 11.178 143 1H5* G 14 1H5* G 14 0.973 -9.995 17.602 144 2H5* G 14 2H5* G 14 2.401 -10.696 18.397 145 H4* G 14 H4* G 14 0.897 -12.274 16.992 146 H3* G 14 H3* G 14 3.886 -12.061 16.625 147 H2* G 14 H2* G 14 3.786 -13.706 14.946 148 2HO* G 14 2HO* G 14 1.107 -14.291 15.097 149 H1* G 14 H1* G 14 1.378 -12.848 13.832 150 H8 G 14 H8 G 14 3.661 -9.932 14.623 151 H1 G 14 H1 G 14 5.075 -12.995 9.131 152 1H2 G 14 1H2 G 14 4.164 -15.138 9.329 153 2H2 G 14 2H2 G 14 2.507 -15.044 9.880 154 1H5* C 15 2H5* C 15 4.614 -16.025 17.757 155 2H5* C 15 1H5* C 15 4.226 -14.779 16.549 156 H4* C 15 H4* C 15 3.745 -17.652 15.821 157 H3* C 15 H3* C 15 6.477 -16.332 15.976 158 H2* C 15 H2* C 15 7.056 -17.414 13.966 159 2HO* C 15 2HO* C 15 5.335 -19.314 14.903 160 H1* C 15 H1* C 15 4.472 -17.307 12.845 161 1H4 C 15 1H4 C 15 7.892 -12.974 9.730 162 2H4 C 15 2H4 C 15 8.130 -12.031 11.195 163 H5 C 15 H5 C 15 6.675 -12.472 13.144 164 H6 C 15 H6 C 15 5.417 -14.169 14.297 165 2H ASP 2 2H ASP 2 9.609 -10.525 -1.595 166 1H ASP 2 1H ASP 2 9.529 -12.217 -1.724 167 3H ASP 2 3H ASP 2 10.958 -11.476 -1.188 168 HA ASP 2 HA ASP 2 9.953 -12.284 0.772 169 1HB ASP 2 1HB ASP 2 9.061 -9.407 0.464 170 2HB ASP 2 2HB ASP 2 9.611 -10.207 1.933 171 H ALA 3 H ALA 3 7.801 -11.176 2.136 172 HA ALA 3 HA ALA 3 5.480 -12.377 0.675 173 1HB ALA 3 1HB ALA 3 6.210 -13.334 2.846 174 2HB ALA 3 2HB ALA 3 5.954 -11.767 3.610 175 3HB ALA 3 3HB ALA 3 4.584 -12.662 2.950 176 H GLN 4 H GLN 4 6.626 -9.470 2.280 177 HA GLN 4 HA GLN 4 4.057 -8.114 2.266 178 1HB GLN 4 1HB GLN 4 6.416 -7.806 3.558 179 2HB GLN 4 2HB GLN 4 6.662 -6.645 2.257 180 1HG GLN 4 1HG GLN 4 4.009 -6.333 3.342 181 2HG GLN 4 2HG GLN 4 5.190 -6.265 4.640 182 1HE2 GLN 4 2HE2 GLN 4 5.056 -5.051 1.236 183 2HE2 GLN 4 1HE2 GLN 4 5.611 -3.494 1.622 184 H THR 5 H THR 5 7.014 -7.783 0.288 185 HA THR 5 HA THR 5 6.034 -5.899 -1.582 186 HB THR 5 HB THR 5 7.847 -8.312 -1.962 187 HG1 THR 5 HG1 THR 5 9.448 -6.607 -1.707 188 1HG2 THR 5 1HG2 THR 5 7.243 -5.905 -3.665 189 2HG2 THR 5 2HG2 THR 5 8.789 -6.746 -3.795 190 3HG2 THR 5 3HG2 THR 5 7.285 -7.605 -4.134 191 H ARG 6 H ARG 6 5.483 -9.345 -1.223 192 HA ARG 6 HA ARG 6 4.091 -9.743 -3.742 193 1HB ARG 6 1HB ARG 6 4.902 -11.210 -1.384 194 2HB ARG 6 2HB ARG 6 3.217 -11.568 -1.766 195 1HG ARG 6 1HG ARG 6 4.036 -13.042 -3.284 196 2HG ARG 6 2HG ARG 6 4.419 -11.625 -4.261 197 1HD ARG 6 1HD ARG 6 6.520 -12.611 -4.172 198 2HD ARG 6 2HD ARG 6 6.605 -11.631 -2.695 199 HE ARG 6 HE ARG 6 6.489 -13.627 -1.446 200 1HH1 ARG 6 1HH1 ARG 6 5.270 -14.110 -4.660 201 2HH1 ARG 6 2HH1 ARG 6 5.036 -15.812 -4.441 202 1HH2 ARG 6 1HH2 ARG 6 6.180 -15.837 -1.173 203 2HH2 ARG 6 2HH2 ARG 6 5.549 -16.784 -2.478 204 H ARG 7 H ARG 7 3.110 -9.332 -0.335 205 HA ARG 7 HA ARG 7 0.313 -9.461 -0.828 206 1HB ARG 7 1HB ARG 7 1.295 -9.631 1.389 207 2HB ARG 7 2HB ARG 7 1.964 -8.003 1.257 208 1HG ARG 7 1HG ARG 7 -0.452 -7.192 0.950 209 2HG ARG 7 2HG ARG 7 -0.951 -8.803 1.459 210 1HD ARG 7 1HD ARG 7 -0.355 -8.432 3.637 211 2HD ARG 7 2HD ARG 7 1.039 -7.434 3.201 212 HE ARG 7 HE ARG 7 -0.396 -5.555 3.242 213 1HH1 ARG 7 1HH1 ARG 7 -2.208 -8.489 2.961 214 2HH1 ARG 7 2HH1 ARG 7 -3.733 -7.690 3.097 215 1HH2 ARG 7 1HH2 ARG 7 -2.340 -4.522 3.418 216 2HH2 ARG 7 2HH2 ARG 7 -3.809 -5.431 3.356 217 H ARG 8 H ARG 8 2.650 -6.850 -1.115 218 HA ARG 8 HA ARG 8 0.929 -4.599 -1.331 219 1HB ARG 8 1HB ARG 8 3.629 -5.197 -1.557 220 2HB ARG 8 2HB ARG 8 3.218 -4.772 -3.213 221 1HG ARG 8 1HG ARG 8 3.994 -2.827 -1.815 222 2HG ARG 8 2HG ARG 8 2.402 -2.607 -2.533 223 1HD ARG 8 1HD ARG 8 2.807 -2.052 0.042 224 2HD ARG 8 2HD ARG 8 1.302 -2.822 -0.479 225 HE ARG 8 HE ARG 8 3.452 -4.720 0.137 226 1HH1 ARG 8 1HH1 ARG 8 0.756 -2.891 1.330 227 2HH1 ARG 8 2HH1 ARG 8 0.477 -3.953 2.661 228 1HH2 ARG 8 1HH2 ARG 8 3.076 -6.084 1.864 229 2HH2 ARG 8 2HH2 ARG 8 1.781 -5.750 2.964 230 H GLU 9 H GLU 9 1.950 -6.977 -3.756 231 HA GLU 9 HA GLU 9 0.601 -5.772 -5.979 232 1HB GLU 9 1HB GLU 9 1.219 -8.672 -5.291 233 2HB GLU 9 2HB GLU 9 0.729 -8.118 -6.891 234 1HG GLU 9 1HG GLU 9 2.921 -6.504 -5.889 235 2HG GLU 9 2HG GLU 9 3.351 -8.214 -5.866 236 H ARG 10 H ARG 10 -0.380 -7.821 -3.327 237 HA ARG 10 HA ARG 10 -3.097 -8.273 -4.267 238 1HB ARG 10 1HB ARG 10 -1.355 -8.897 -1.987 239 2HB ARG 10 2HB ARG 10 -3.013 -8.561 -1.499 240 1HG ARG 10 1HG ARG 10 -3.425 -10.724 -2.042 241 2HG ARG 10 2HG ARG 10 -3.356 -10.175 -3.718 242 1HD ARG 10 1HD ARG 10 -0.680 -10.484 -3.113 243 2HD ARG 10 2HD ARG 10 -1.429 -11.824 -2.222 244 HE ARG 10 HE ARG 10 -2.724 -11.900 -4.654 245 1HH1 ARG 10 1HH1 ARG 10 0.609 -11.832 -3.682 246 2HH1 ARG 10 2HH1 ARG 10 1.150 -12.728 -5.061 247 1HH2 ARG 10 1HH2 ARG 10 -2.008 -13.062 -6.441 248 2HH2 ARG 10 2HH2 ARG 10 -0.323 -13.421 -6.614 249 H ARG 11 H ARG 11 -1.340 -5.700 -2.806 250 HA ARG 11 HA ARG 11 -3.788 -4.412 -1.734 251 1HB ARG 11 1HB ARG 11 -0.838 -3.700 -1.738 252 2HB ARG 11 2HB ARG 11 -2.096 -2.748 -0.952 253 1HG ARG 11 1HG ARG 11 -1.339 -5.618 -0.299 254 2HG ARG 11 2HG ARG 11 -1.040 -4.219 0.711 255 1HD ARG 11 1HD ARG 11 -3.135 -4.349 1.585 256 2HD ARG 11 2HD ARG 11 -3.859 -4.381 -0.026 257 HE ARG 11 HE ARG 11 -2.524 -6.883 0.626 258 1HH1 ARG 11 1HH1 ARG 11 -5.445 -5.033 0.960 259 2HH1 ARG 11 2HH1 ARG 11 -6.444 -6.429 1.171 260 1HH2 ARG 11 1HH2 ARG 11 -3.835 -8.689 0.902 261 2HH2 ARG 11 2HH2 ARG 11 -5.540 -8.488 1.138 262 H ALA 12 H ALA 12 -2.487 -4.720 -4.750 263 HA ALA 12 HA ALA 12 -2.214 -2.060 -5.755 264 1HB ALA 12 1HB ALA 12 -3.430 -4.563 -7.004 265 2HB ALA 12 2HB ALA 12 -2.889 -3.149 -7.909 266 3HB ALA 12 3HB ALA 12 -1.721 -4.129 -7.022 267 H GLU 13 H GLU 13 -5.009 -3.918 -4.758 268 HA GLU 13 HA GLU 13 -6.996 -2.147 -5.950 269 1HB GLU 13 1HB GLU 13 -7.120 -4.206 -3.713 270 2HB GLU 13 2HB GLU 13 -8.521 -3.501 -4.516 271 1HG GLU 13 1HG GLU 13 -8.383 -5.160 -6.035 272 2HG GLU 13 2HG GLU 13 -6.888 -4.420 -6.606 273 H LYS 14 H LYS 14 -5.257 -2.441 -2.877 274 HA LYS 14 HA LYS 14 -6.825 -0.346 -1.549 275 1HB LYS 14 1HB LYS 14 -4.167 -1.718 -0.974 276 2HB LYS 14 2HB LYS 14 -4.992 -0.637 0.151 277 1HG LYS 14 1HG LYS 14 -6.429 -3.021 -0.992 278 2HG LYS 14 2HG LYS 14 -5.360 -3.201 0.400 279 1HD LYS 14 1HD LYS 14 -6.777 -1.042 1.201 280 2HD LYS 14 2HD LYS 14 -7.993 -1.842 0.204 281 1HE LYS 14 1HE LYS 14 -7.449 -3.990 1.483 282 2HE LYS 14 2HE LYS 14 -6.543 -2.967 2.616 283 1HZ LYS 14 1HZ LYS 14 -9.334 -2.395 1.789 284 2HZ LYS 14 2HZ LYS 14 -8.951 -3.288 3.182 285 3HZ LYS 14 3HZ LYS 14 -8.458 -1.668 3.046 286 H GLN 15 H GLN 15 -3.824 -0.730 -3.283 287 HA GLN 15 HA GLN 15 -2.747 1.915 -2.936 288 1HB GLN 15 1HB GLN 15 -2.245 -0.609 -4.319 289 2HB GLN 15 2HB GLN 15 -1.804 0.759 -5.325 290 1HG GLN 15 1HG GLN 15 -0.168 1.493 -3.841 291 2HG GLN 15 2HG GLN 15 -0.976 0.767 -2.452 292 1HE2 GLN 15 2HE2 GLN 15 -1.089 -1.750 -2.567 293 2HE2 GLN 15 1HE2 GLN 15 0.303 -2.543 -3.135 294 H ALA 16 H ALA 16 -4.465 0.333 -5.640 295 HA ALA 16 HA ALA 16 -4.606 2.709 -7.273 296 1HB ALA 16 1HB ALA 16 -4.877 0.310 -8.005 297 2HB ALA 16 2HB ALA 16 -6.444 0.285 -7.199 298 3HB ALA 16 3HB ALA 16 -6.177 1.357 -8.573 299 H GLN 17 H GLN 17 -6.565 1.490 -4.606 300 HA GLN 17 HA GLN 17 -8.801 3.317 -5.141 301 1HB GLN 17 1HB GLN 17 -7.923 1.380 -3.016 302 2HB GLN 17 2HB GLN 17 -9.173 2.555 -2.611 303 1HG GLN 17 1HG GLN 17 -9.486 1.087 -5.185 304 2HG GLN 17 2HG GLN 17 -9.760 0.172 -3.703 305 1HE2 GLN 17 1HE2 GLN 17 -11.844 0.965 -5.643 306 2HE2 GLN 17 2HE2 GLN 17 -12.930 1.962 -4.803 307 H TRP 18 H TRP 18 -5.901 3.186 -3.180 308 HA TRP 18 HA TRP 18 -6.374 5.686 -1.752 309 1HB TRP 18 1HB TRP 18 -4.959 3.897 -0.852 310 2HB TRP 18 2HB TRP 18 -3.955 3.931 -2.288 311 HD1 TRP 18 HD1 TRP 18 -4.504 5.756 0.980 312 HE1 TRP 18 HE1 TRP 18 -2.720 7.613 1.201 313 HE3 TRP 18 HE3 TRP 18 -2.466 5.554 -3.638 314 HZ2 TRP 18 HZ2 TRP 18 -0.677 8.829 -0.396 315 HZ3 TRP 18 HZ3 TRP 18 -0.624 7.030 -4.277 316 HH2 TRP 18 HH2 TRP 18 0.287 8.641 -2.683 317 H LYS 19 H LYS 19 -4.293 4.612 -4.398 318 HA LYS 19 HA LYS 19 -3.059 7.086 -5.034 319 1HB LYS 19 1HB LYS 19 -3.744 4.571 -6.571 320 2HB LYS 19 2HB LYS 19 -2.889 5.908 -7.326 321 1HG LYS 19 1HG LYS 19 -1.258 5.758 -5.344 322 2HG LYS 19 2HG LYS 19 -1.973 4.177 -5.043 323 1HD LYS 19 1HD LYS 19 -1.490 4.191 -7.793 324 2HD LYS 19 2HD LYS 19 -0.074 4.985 -7.105 325 1HE LYS 19 1HE LYS 19 0.634 3.080 -6.024 326 2HE LYS 19 2HE LYS 19 -1.022 2.517 -5.722 327 1HZ LYS 19 1HZ LYS 19 -1.263 2.076 -8.093 328 2HZ LYS 19 2HZ LYS 19 0.340 2.575 -8.364 329 3HZ LYS 19 3HZ LYS 19 0.025 1.182 -7.445 330 H ALA 20 H ALA 20 -6.137 5.637 -5.946 331 HA ALA 20 HA ALA 20 -6.839 7.480 -7.993 332 1HB ALA 20 1HB ALA 20 -8.343 5.754 -6.043 333 2HB ALA 20 2HB ALA 20 -9.199 6.760 -7.210 334 3HB ALA 20 3HB ALA 20 -8.105 5.495 -7.771 335 H ALA 21 H ALA 21 -6.946 7.657 -4.489 336 HA ALA 21 HA ALA 21 -8.100 10.407 -4.706 337 1HB ALA 21 1HB ALA 21 -8.303 8.334 -2.505 338 2HB ALA 21 2HB ALA 21 -9.011 9.947 -2.431 339 3HB ALA 21 3HB ALA 21 -9.591 8.782 -3.622 340 H ASN 22 H ASN 22 -5.291 9.528 -4.811 341 HA ASN 22 HA ASN 22 -4.264 11.409 -2.784 342 1HB ASN 22 1HB ASN 22 -3.529 8.477 -2.893 343 2HB ASN 22 2HB ASN 22 -2.584 9.686 -2.024 344 1HD2 ASN 22 2HD2 ASN 22 -4.946 7.443 -1.527 345 2HD2 ASN 22 1HD2 ASN 22 -5.739 8.134 -0.196 346 HA PRO 23 HA PRO 23 -1.926 11.026 -6.867 347 1HB PRO 23 1HB PRO 23 -2.864 13.318 -8.049 348 2HB PRO 23 2HB PRO 23 -3.616 11.730 -8.305 349 1HG PRO 23 1HG PRO 23 -4.457 13.957 -6.523 350 2HG PRO 23 2HG PRO 23 -5.444 12.846 -7.490 351 1HD PRO 23 1HD PRO 23 -5.071 12.582 -4.800 352 2HD PRO 23 2HD PRO 23 -5.414 11.213 -5.872 353 H LEU 24 H LEU 24 -2.877 13.414 -4.545 354 HA LEU 24 HA LEU 24 -0.843 15.384 -4.873 355 1HB LEU 24 1HB LEU 24 -1.735 16.192 -2.866 356 2HB LEU 24 2HB LEU 24 -3.043 15.130 -3.368 357 HG LEU 24 HG LEU 24 -0.805 14.172 -1.558 358 1HD1 LEU 24 1HD1 LEU 24 -2.308 16.215 -0.779 359 2HD1 LEU 24 2HD1 LEU 24 -3.485 14.937 -0.481 360 3HD1 LEU 24 3HD1 LEU 24 -1.918 14.899 0.328 361 1HD2 LEU 24 1HD2 LEU 24 -2.806 12.787 -2.882 362 2HD2 LEU 24 2HD2 LEU 24 -1.991 12.222 -1.426 363 3HD2 LEU 24 3HD2 LEU 24 -3.531 13.074 -1.305 364 H LEU 25 H LEU 25 -0.934 12.287 -3.237 365 HA LEU 25 HA LEU 25 1.908 12.523 -2.377 366 1HB LEU 25 1HB LEU 25 -0.542 10.948 -1.673 367 2HB LEU 25 2HB LEU 25 1.013 10.139 -1.453 368 HG LEU 25 HG LEU 25 0.737 12.930 -0.418 369 1HD1 LEU 25 1HD1 LEU 25 -1.295 11.371 0.240 370 2HD1 LEU 25 2HD1 LEU 25 -0.113 10.643 1.327 371 3HD1 LEU 25 3HD1 LEU 25 -0.500 12.358 1.467 372 1HD2 LEU 25 1HD2 LEU 25 2.737 11.087 -0.387 373 2HD2 LEU 25 2HD2 LEU 25 2.555 12.340 0.840 374 3HD2 LEU 25 3HD2 LEU 25 1.945 10.714 1.144 375 H VAL 26 H VAL 26 1.086 12.404 -5.090 376 HA VAL 26 HA VAL 26 2.450 9.948 -6.025 377 HB VAL 26 HB VAL 26 -0.432 10.614 -6.012 378 1HG1 VAL 26 1HG1 VAL 26 0.967 9.842 -8.569 379 2HG1 VAL 26 2HG1 VAL 26 -0.715 9.404 -8.270 380 3HG1 VAL 26 3HG1 VAL 26 -0.238 11.104 -8.306 381 1HG2 VAL 26 1HG2 VAL 26 1.298 8.155 -6.257 382 2HG2 VAL 26 2HG2 VAL 26 0.181 8.601 -4.965 383 3HG2 VAL 26 3HG2 VAL 26 -0.442 8.066 -6.527 384 H GLY 27 H GLY 27 3.008 10.236 -8.396 385 1HA GLY 27 1HA GLY 27 3.736 12.990 -8.991 386 2HA GLY 27 2HA GLY 27 3.988 11.607 -10.057 387 H VAL 28 H VAL 28 1.116 13.245 -8.681 388 HA VAL 28 HA VAL 28 -0.888 13.929 -9.690 389 HB VAL 28 HB VAL 28 1.090 14.311 -11.952 390 1HG1 VAL 28 1HG1 VAL 28 -1.703 14.289 -12.138 391 2HG1 VAL 28 2HG1 VAL 28 -1.303 16.000 -11.940 392 3HG1 VAL 28 3HG1 VAL 28 -0.593 15.079 -13.266 393 1HG2 VAL 28 1HG2 VAL 28 0.099 15.965 -9.645 394 2HG2 VAL 28 2HG2 VAL 28 1.747 15.767 -10.242 395 3HG2 VAL 28 3HG2 VAL 28 0.600 16.768 -11.133 396 H SER 29 H SER 29 -2.581 12.857 -10.552 397 HA SER 29 HA SER 29 -3.684 10.937 -11.371 398 1HB SER 29 1HB SER 29 -2.603 12.692 -13.309 399 2HB SER 29 2HB SER 29 -2.428 11.064 -13.958 400 HG SER 29 HG SER 29 -4.816 12.119 -12.838 401 H ALA 30 H ALA 30 -1.227 10.257 -10.045 402 HA ALA 30 HA ALA 30 0.504 8.612 -9.983 403 1HB ALA 30 1HB ALA 30 -2.203 7.560 -10.401 404 2HB ALA 30 2HB ALA 30 -0.935 6.402 -10.807 405 3HB ALA 30 3HB ALA 30 -0.997 7.114 -9.193 406 H LYS 31 H LYS 31 1.442 9.796 -12.028 407 HA LYS 31 HA LYS 31 1.433 7.911 -14.361 408 1HB LYS 31 1HB LYS 31 2.090 10.875 -14.271 409 2HB LYS 31 2HB LYS 31 1.852 9.889 -15.714 410 1HG LYS 31 1HG LYS 31 -0.502 9.481 -15.015 411 2HG LYS 31 2HG LYS 31 -0.253 10.541 -13.627 412 1HD LYS 31 1HD LYS 31 -1.303 11.821 -15.413 413 2HD LYS 31 2HD LYS 31 0.354 12.387 -15.202 414 1HE LYS 31 1HE LYS 31 1.097 11.342 -17.180 415 2HE LYS 31 2HE LYS 31 -0.286 10.231 -17.221 416 1HZ LYS 31 1HZ LYS 31 -1.747 12.170 -17.491 417 2HZ LYS 31 2HZ LYS 31 -0.388 13.182 -17.568 418 3HZ LYS 31 3HZ LYS 31 -0.651 12.020 -18.781 419 HA PRO 32 HA PRO 32 5.709 7.398 -13.280 420 1HB PRO 32 1HB PRO 32 6.504 6.014 -15.502 421 2HB PRO 32 2HB PRO 32 5.556 5.277 -14.196 422 1HG PRO 32 1HG PRO 32 4.675 6.235 -16.863 423 2HG PRO 32 2HG PRO 32 4.111 4.852 -15.915 424 1HD PRO 32 1HD PRO 32 2.780 7.253 -16.121 425 2HD PRO 32 2HD PRO 32 2.578 6.099 -14.786 426 H VAL 33 H VAL 33 7.917 7.744 -14.566 427 HA VAL 33 HA VAL 33 7.641 9.953 -16.556 428 HB VAL 33 HB VAL 33 9.289 11.258 -15.230 429 1HG1 VAL 33 1HG1 VAL 33 6.640 11.109 -14.826 430 2HG1 VAL 33 2HG1 VAL 33 7.183 10.565 -13.238 431 3HG1 VAL 33 3HG1 VAL 33 7.679 12.144 -13.847 432 1HG2 VAL 33 1HG2 VAL 33 8.982 8.926 -13.317 433 2HG2 VAL 33 2HG2 VAL 33 10.466 9.470 -14.100 434 3HG2 VAL 33 3HG2 VAL 33 9.702 10.471 -12.865 435 H ASN 34 H ASN 34 9.800 7.649 -14.922 436 HA ASN 34 HA ASN 34 11.763 6.569 -15.680 437 1HB ASN 34 1HB ASN 34 9.914 6.916 -17.998 438 2HB ASN 34 2HB ASN 34 11.557 6.384 -18.358 439 1HD2 ASN 34 2HD2 ASN 34 9.075 5.624 -15.834 440 2HD2 ASN 34 1HD2 ASN 34 9.289 3.943 -15.929 441 H ARG 35 H ARG 35 12.329 9.165 -15.082 442 HA ARG 35 HA ARG 35 14.546 9.793 -16.853 443 1HB ARG 35 1HB ARG 35 12.359 10.541 -18.021 444 2HB ARG 35 2HB ARG 35 12.294 11.806 -16.794 445 1HG ARG 35 1HG ARG 35 14.959 11.676 -17.884 446 2HG ARG 35 2HG ARG 35 13.795 11.812 -19.202 447 1HD ARG 35 1HD ARG 35 12.812 13.627 -17.353 448 2HD ARG 35 2HD ARG 35 14.569 13.818 -17.203 449 HE ARG 35 HE ARG 35 14.101 13.654 -19.950 450 1HH1 ARG 35 1HH1 ARG 35 13.045 15.655 -17.320 451 2HH1 ARG 35 2HH1 ARG 35 12.827 17.053 -18.316 452 1HH2 ARG 35 1HH2 ARG 35 13.815 15.476 -21.237 453 2HH2 ARG 35 2HH2 ARG 35 13.260 16.953 -20.523 454 HA PRO 36 HA PRO 36 14.995 11.403 -12.600 455 1HB PRO 36 1HB PRO 36 17.700 11.002 -12.475 456 2HB PRO 36 2HB PRO 36 16.517 9.724 -12.131 457 1HG PRO 36 1HG PRO 36 18.107 10.217 -14.597 458 2HG PRO 36 2HG PRO 36 17.678 8.687 -13.817 459 1HD PRO 36 1HD PRO 36 16.407 9.659 -16.025 460 2HD PRO 36 2HD PRO 36 15.632 8.591 -14.835 Start of MODEL 18 1 1H5* G 1 1H5* G 1 12.030 -13.949 2.108 2 2H5* G 1 2H5* G 1 13.029 -15.221 1.366 3 H4* G 1 H4* G 1 11.427 -16.901 1.831 4 H3* G 1 H3* G 1 9.495 -14.614 2.324 5 H2* G 1 H2* G 1 8.401 -15.879 3.993 6 2HO* G 1 2HO* G 1 9.265 -18.214 4.162 7 H1* G 1 H1* G 1 10.670 -17.118 5.012 8 H8 G 1 H8 G 1 11.349 -13.467 4.437 9 H1 G 1 H1 G 1 7.784 -14.642 9.650 10 1H2 G 1 1H2 G 1 7.233 -16.780 9.722 11 2H2 G 1 2H2 G 1 7.495 -17.841 8.357 12 1H5* C 2 1H5* C 2 6.580 -18.341 2.442 13 2H5* C 2 2H5* C 2 5.753 -17.814 0.957 14 H4* C 2 H4* C 2 4.094 -18.274 2.672 15 H3* C 2 H3* C 2 4.535 -15.320 2.118 16 H2* C 2 H2* C 2 2.891 -14.792 3.720 17 2HO* C 2 2HO* C 2 1.238 -16.145 3.199 18 H1* C 2 H1* C 2 3.513 -16.853 5.507 19 1H4 C 2 1H4 C 2 6.200 -11.766 8.135 20 2H4 C 2 2H4 C 2 7.347 -11.618 6.827 21 H5 C 2 H5 C 2 7.376 -13.152 4.941 22 H6 C 2 H6 C 2 6.245 -15.004 3.866 23 1H5* C 3 1H5* C 3 -0.300 -13.519 1.536 24 2H5* C 3 2H5* C 3 1.320 -12.978 2.028 25 H4* C 3 H4* C 3 -0.643 -14.368 3.876 26 H3* C 3 H3* C 3 -0.047 -11.435 3.425 27 H2* C 3 H2* C 3 -0.195 -11.028 5.729 28 2HO* C 3 2HO* C 3 -0.929 -13.544 6.547 29 H1* C 3 H1* C 3 1.004 -13.405 6.546 30 1H4 C 3 1H4 C 3 5.736 -9.168 6.814 31 2H4 C 3 2H4 C 3 5.550 -8.767 5.122 32 H5 C 3 H5 C 3 4.534 -10.599 3.729 33 H6 C 3 H6 C 3 2.841 -12.355 3.724 34 1H5* C 4 1H5* C 4 -3.991 -10.046 4.740 35 2H5* C 4 2H5* C 4 -2.226 -10.212 4.793 36 H4* C 4 H4* C 4 -3.915 -9.787 7.265 37 H3* C 4 H3* C 4 -2.640 -7.755 5.408 38 H2* C 4 H2* C 4 -1.977 -6.471 7.236 39 2HO* C 4 2HO* C 4 -3.223 -7.968 9.203 40 H1* C 4 H1* C 4 -1.375 -8.606 8.921 41 1H4 C 4 1H4 C 4 3.826 -6.141 5.947 42 2H4 C 4 2H4 C 4 4.243 -7.825 5.772 43 H5 C 4 H5 C 4 1.872 -8.684 4.734 44 H6 C 4 H6 C 4 -0.265 -9.278 5.574 45 1H5* U 5 1H5* U 5 -5.065 -4.536 6.451 46 2H5* U 5 2H5* U 5 -3.671 -5.612 6.563 47 H4* U 5 H4* U 5 -4.205 -3.863 8.922 48 H3* U 5 H3* U 5 -3.122 -2.851 6.260 49 H2* U 5 H2* U 5 -1.546 -1.580 7.447 50 2HO* U 5 2HO* U 5 -3.300 -0.887 9.003 51 H1* U 5 H1* U 5 -1.221 -3.422 9.550 52 H3 U 5 H3 U 5 2.708 -2.459 7.387 53 H5 U 5 H5 U 5 0.978 -5.630 5.264 54 H6 U 5 H6 U 5 -1.068 -5.159 6.433 55 1H5* G 6 1H5* G 6 -2.467 -0.152 7.451 56 2H5* G 6 2H5* G 6 -2.958 1.317 8.305 57 H4* G 6 H4* G 6 -2.184 2.701 6.633 58 H3* G 6 H3* G 6 -2.756 0.412 4.726 59 H2* G 6 H2* G 6 -1.115 1.205 3.273 60 2HO* G 6 2HO* G 6 -0.893 3.269 2.967 61 H1* G 6 H1* G 6 0.656 2.138 5.230 62 H8 G 6 H8 G 6 -1.093 -1.302 5.256 63 H1 G 6 H1 G 6 4.922 -1.277 2.987 64 1H2 G 6 1H2 G 6 5.580 0.834 2.640 65 2H2 G 6 2H2 G 6 4.832 2.111 3.583 66 1H5* A 7 1H5* A 7 -4.577 1.820 0.559 67 2H5* A 7 2H5* A 7 -3.652 0.306 0.626 68 H4* A 7 H4* A 7 -2.773 1.664 -1.165 69 H3* A 7 H3* A 7 -0.991 1.661 1.294 70 H2* A 7 H2* A 7 0.547 3.006 0.092 71 2HO* A 7 2HO* A 7 -0.393 3.183 -2.346 72 H1* A 7 H1* A 7 -1.396 4.377 -1.374 73 H8 A 7 H8 A 7 -2.399 4.665 2.179 74 1H6 A 7 1H6 A 7 2.047 8.918 2.925 75 2H6 A 7 2H6 A 7 0.541 8.299 3.566 76 H2 A 7 H2 A 7 2.613 6.989 -1.090 77 1H5* A 8 1H5* A 8 0.975 0.444 -1.636 78 2H5* A 8 2H5* A 8 2.241 -0.799 -1.765 79 H4* A 8 H4* A 8 3.293 1.325 -2.125 80 H3* A 8 H3* A 8 3.725 0.278 0.693 81 H2* A 8 H2* A 8 5.128 2.142 1.133 82 2HO* A 8 2HO* A 8 5.595 3.606 -0.700 83 H1* A 8 H1* A 8 3.552 3.963 -0.303 84 H8 A 8 H8 A 8 1.223 1.848 1.676 85 1H6 A 8 1H6 A 8 2.235 5.574 6.422 86 2H6 A 8 2H6 A 8 1.865 3.881 6.180 87 H2 A 8 H2 A 8 5.553 6.280 3.392 88 1H5* A 9 2H5* A 9 8.299 -1.508 -1.971 89 2H5* A 9 1H5* A 9 7.322 -0.501 -0.884 90 H4* A 9 H4* A 9 9.520 0.324 -2.415 91 H3* A 9 H3* A 9 7.303 1.837 -1.009 92 H2* A 9 H2* A 9 8.159 3.850 -1.914 93 2HO* A 9 2HO* A 9 10.255 3.969 -1.872 94 H1* A 9 H1* A 9 8.799 2.764 -4.407 95 H8 A 9 H8 A 9 6.418 4.297 -2.147 96 1H6 A 9 1H6 A 9 2.656 5.018 -5.266 97 2H6 A 9 2H6 A 9 1.944 3.831 -6.336 98 H2 A 9 H2 A 9 5.461 1.399 -7.793 99 1H5* A 10 1H5* A 10 9.846 0.634 4.103 100 2H5* A 10 2H5* A 10 8.253 1.160 3.529 101 H4* A 10 H4* A 10 10.398 3.227 3.614 102 H3* A 10 H3* A 10 9.189 1.920 6.049 103 H2* A 10 H2* A 10 8.830 4.004 7.071 104 2HO* A 10 2HO* A 10 10.817 4.869 5.286 105 H1* A 10 H1* A 10 8.118 5.398 4.769 106 H8 A 10 H8 A 10 6.174 2.556 4.032 107 1H6 A 10 1H6 A 10 2.706 2.591 7.557 108 2H6 A 10 2H6 A 10 2.224 3.950 8.549 109 H2 A 10 H2 A 10 6.094 6.146 9.356 110 1H5* A 11 1H5* A 11 10.644 4.598 9.325 111 2H5* A 11 2H5* A 11 11.088 3.106 10.183 112 H4* A 11 H4* A 11 8.810 4.474 10.680 113 H3* A 11 H3* A 11 9.309 1.491 10.765 114 H2* A 11 H2* A 11 7.027 1.105 11.206 115 2HO* A 11 2HO* A 11 6.718 3.887 11.669 116 H1* A 11 H1* A 11 6.016 3.110 9.584 117 H8 A 11 H8 A 11 8.782 1.363 7.752 118 1H6 A 11 1H6 A 11 5.046 -3.183 6.458 119 2H6 A 11 2H6 A 11 5.662 -1.985 5.344 120 H2 A 11 H2 A 11 2.746 -0.293 9.219 121 1H5* G 12 1H5* G 12 9.037 -1.450 13.744 122 2H5* G 12 2H5* G 12 8.991 -0.613 12.184 123 H4* G 12 H4* G 12 6.834 0.281 13.913 124 H3* G 12 H3* G 12 7.094 -2.681 13.422 125 H2* G 12 H2* G 12 4.806 -2.797 12.840 126 2HO* G 12 2HO* G 12 4.648 -0.415 14.309 127 H1* G 12 H1* G 12 4.687 -0.338 11.514 128 H8 G 12 H8 G 12 7.655 -1.388 9.934 129 H1 G 12 H1 G 12 2.899 -5.419 8.392 130 1H2 G 12 1H2 G 12 1.142 -5.038 9.687 131 2H2 G 12 2H2 G 12 1.357 -4.264 11.241 132 1H5* G 13 1H5* G 13 6.742 -5.510 16.751 133 2H5* G 13 2H5* G 13 6.613 -4.724 15.168 134 H4* G 13 H4* G 13 4.109 -5.557 16.603 135 H3* G 13 H3* G 13 6.049 -7.374 15.149 136 H2* G 13 H2* G 13 4.291 -8.441 14.045 137 2HO* G 13 2HO* G 13 2.305 -8.610 14.787 138 H1* G 13 H1* G 13 2.702 -6.194 13.689 139 H8 G 13 H8 G 13 6.063 -5.048 12.761 140 H1 G 13 H1 G 13 3.643 -9.211 8.506 141 1H2 G 13 1H2 G 13 1.756 -10.056 9.274 142 2H2 G 13 2H2 G 13 1.387 -9.990 10.982 143 1H5* G 14 1H5* G 14 1.011 -9.318 17.112 144 2H5* G 14 2H5* G 14 1.806 -10.255 18.397 145 H4* G 14 H4* G 14 0.609 -11.792 16.936 146 H3* G 14 H3* G 14 3.606 -11.850 16.489 147 H2* G 14 H2* G 14 3.246 -13.628 14.955 148 2HO* G 14 2HO* G 14 0.902 -13.936 16.399 149 H1* G 14 H1* G 14 0.929 -12.537 13.843 150 H8 G 14 H8 G 14 3.708 -10.034 14.509 151 H1 G 14 H1 G 14 4.302 -13.206 8.953 152 1H2 G 14 1H2 G 14 2.976 -15.028 9.024 153 2H2 G 14 2H2 G 14 1.485 -14.893 9.929 154 1H5* C 15 1H5* C 15 2.392 -15.522 16.640 155 2H5* C 15 2H5* C 15 3.234 -16.586 17.792 156 H4* C 15 H4* C 15 3.300 -17.735 15.708 157 H3* C 15 H3* C 15 5.905 -16.278 16.237 158 H2* C 15 H2* C 15 6.750 -17.176 14.226 159 2HO* C 15 2HO* C 15 5.499 -19.320 14.910 160 H1* C 15 H1* C 15 4.284 -17.142 12.859 161 1H4 C 15 1H4 C 15 7.615 -12.409 10.302 162 2H4 C 15 2H4 C 15 7.766 -11.594 11.849 163 H5 C 15 H5 C 15 6.327 -12.274 13.730 164 H6 C 15 H6 C 15 5.066 -14.105 14.677 165 2H ASP 2 2H ASP 2 9.842 -9.074 -0.127 166 1H ASP 2 1H ASP 2 9.619 -10.016 -1.523 167 3H ASP 2 3H ASP 2 11.103 -10.054 -0.699 168 HA ASP 2 HA ASP 2 10.028 -12.035 -0.052 169 1HB ASP 2 1HB ASP 2 9.421 -9.927 2.038 170 2HB ASP 2 2HB ASP 2 9.805 -11.621 2.323 171 H ALA 3 H ALA 3 7.977 -12.257 1.827 172 HA ALA 3 HA ALA 3 5.641 -12.513 0.198 173 1HB ALA 3 1HB ALA 3 6.229 -13.753 2.306 174 2HB ALA 3 2HB ALA 3 5.865 -12.286 3.215 175 3HB ALA 3 3HB ALA 3 4.588 -13.105 2.316 176 H GLN 4 H GLN 4 6.860 -9.863 2.151 177 HA GLN 4 HA GLN 4 4.361 -8.391 2.271 178 1HB GLN 4 1HB GLN 4 6.434 -8.226 3.778 179 2HB GLN 4 2HB GLN 4 7.208 -7.353 2.460 180 1HG GLN 4 1HG GLN 4 4.557 -6.292 3.072 181 2HG GLN 4 2HG GLN 4 5.634 -6.228 4.461 182 1HE2 GLN 4 2HE2 GLN 4 4.669 -4.348 1.944 183 2HE2 GLN 4 1HE2 GLN 4 6.085 -3.451 1.679 184 H THR 5 H THR 5 7.361 -7.824 0.409 185 HA THR 5 HA THR 5 6.358 -5.826 -1.338 186 HB THR 5 HB THR 5 8.327 -8.110 -1.736 187 HG1 THR 5 HG1 THR 5 9.693 -6.774 -0.862 188 1HG2 THR 5 1HG2 THR 5 7.233 -6.240 -3.661 189 2HG2 THR 5 2HG2 THR 5 8.969 -5.993 -3.469 190 3HG2 THR 5 3HG2 THR 5 8.350 -7.580 -3.922 191 H ARG 6 H ARG 6 5.929 -9.298 -1.239 192 HA ARG 6 HA ARG 6 4.633 -9.604 -3.819 193 1HB ARG 6 1HB ARG 6 5.375 -11.164 -1.480 194 2HB ARG 6 2HB ARG 6 3.737 -11.567 -2.010 195 1HG ARG 6 1HG ARG 6 4.452 -12.346 -4.082 196 2HG ARG 6 2HG ARG 6 5.897 -11.335 -4.082 197 1HD ARG 6 1HD ARG 6 6.565 -13.661 -3.742 198 2HD ARG 6 2HD ARG 6 6.814 -12.783 -2.220 199 HE ARG 6 HE ARG 6 4.280 -13.622 -1.860 200 1HH1 ARG 6 1HH1 ARG 6 7.044 -15.308 -3.128 201 2HH1 ARG 6 2HH1 ARG 6 6.490 -16.854 -2.588 202 1HH2 ARG 6 1HH2 ARG 6 3.579 -15.638 -1.167 203 2HH2 ARG 6 2HH2 ARG 6 4.542 -17.042 -1.484 204 H ARG 7 H ARG 7 3.534 -9.361 -0.428 205 HA ARG 7 HA ARG 7 0.760 -9.557 -0.971 206 1HB ARG 7 1HB ARG 7 1.624 -9.727 1.269 207 2HB ARG 7 2HB ARG 7 2.374 -8.137 1.164 208 1HG ARG 7 1HG ARG 7 -0.017 -7.224 0.814 209 2HG ARG 7 2HG ARG 7 -0.566 -8.803 1.374 210 1HD ARG 7 1HD ARG 7 0.229 -8.462 3.527 211 2HD ARG 7 2HD ARG 7 1.479 -7.329 3.002 212 HE ARG 7 HE ARG 7 -0.132 -5.593 3.096 213 1HH1 ARG 7 1HH1 ARG 7 -1.628 -8.731 3.084 214 2HH1 ARG 7 2HH1 ARG 7 -3.216 -8.104 3.361 215 1HH2 ARG 7 1HH2 ARG 7 -2.207 -4.795 3.459 216 2HH2 ARG 7 2HH2 ARG 7 -3.543 -5.891 3.572 217 H ARG 8 H ARG 8 2.997 -6.850 -1.164 218 HA ARG 8 HA ARG 8 1.209 -4.659 -1.386 219 1HB ARG 8 1HB ARG 8 3.924 -5.148 -1.550 220 2HB ARG 8 2HB ARG 8 3.549 -4.733 -3.215 221 1HG ARG 8 1HG ARG 8 4.210 -2.765 -1.799 222 2HG ARG 8 2HG ARG 8 2.630 -2.600 -2.556 223 1HD ARG 8 1HD ARG 8 2.952 -2.033 0.024 224 2HD ARG 8 2HD ARG 8 1.487 -2.856 -0.529 225 HE ARG 8 HE ARG 8 3.647 -4.711 0.109 226 1HH1 ARG 8 1HH1 ARG 8 1.013 -2.838 1.362 227 2HH1 ARG 8 2HH1 ARG 8 0.777 -3.867 2.728 228 1HH2 ARG 8 1HH2 ARG 8 3.330 -6.034 1.882 229 2HH2 ARG 8 2HH2 ARG 8 2.081 -5.664 3.021 230 H GLU 9 H GLU 9 2.337 -6.967 -3.827 231 HA GLU 9 HA GLU 9 0.975 -5.763 -6.049 232 1HB GLU 9 1HB GLU 9 1.629 -8.677 -5.456 233 2HB GLU 9 2HB GLU 9 1.266 -8.020 -7.053 234 1HG GLU 9 1HG GLU 9 3.282 -6.349 -6.124 235 2HG GLU 9 2HG GLU 9 3.770 -7.938 -5.534 236 H ARG 10 H ARG 10 0.039 -7.879 -3.440 237 HA ARG 10 HA ARG 10 -2.648 -8.412 -4.434 238 1HB ARG 10 1HB ARG 10 -0.899 -9.094 -2.195 239 2HB ARG 10 2HB ARG 10 -2.541 -8.754 -1.653 240 1HG ARG 10 1HG ARG 10 -3.368 -10.640 -2.605 241 2HG ARG 10 2HG ARG 10 -2.425 -10.413 -4.078 242 1HD ARG 10 1HD ARG 10 -0.400 -11.254 -2.893 243 2HD ARG 10 2HD ARG 10 -1.395 -11.554 -1.455 244 HE ARG 10 HE ARG 10 -2.780 -12.802 -3.520 245 1HH1 ARG 10 1HH1 ARG 10 0.428 -12.956 -2.203 246 2HH1 ARG 10 2HH1 ARG 10 0.644 -14.622 -2.616 247 1HH2 ARG 10 1HH2 ARG 10 -2.488 -14.969 -4.053 248 2HH2 ARG 10 2HH2 ARG 10 -0.997 -15.757 -3.658 249 H ARG 11 H ARG 11 -1.002 -5.805 -2.897 250 HA ARG 11 HA ARG 11 -3.501 -4.654 -1.788 251 1HB ARG 11 1HB ARG 11 -0.594 -3.782 -1.810 252 2HB ARG 11 2HB ARG 11 -1.895 -2.913 -0.999 253 1HG ARG 11 1HG ARG 11 -1.010 -5.755 -0.400 254 2HG ARG 11 2HG ARG 11 -0.704 -4.355 0.612 255 1HD ARG 11 1HD ARG 11 -2.758 -4.529 1.565 256 2HD ARG 11 2HD ARG 11 -3.546 -4.595 -0.018 257 HE ARG 11 HE ARG 11 -2.148 -7.060 0.476 258 1HH1 ARG 11 1HH1 ARG 11 -4.975 -5.254 1.375 259 2HH1 ARG 11 2HH1 ARG 11 -5.897 -6.667 1.761 260 1HH2 ARG 11 1HH2 ARG 11 -3.358 -8.887 0.982 261 2HH2 ARG 11 2HH2 ARG 11 -4.988 -8.714 1.540 262 H ALA 12 H ALA 12 -2.190 -4.844 -4.821 263 HA ALA 12 HA ALA 12 -2.066 -2.164 -5.791 264 1HB ALA 12 1HB ALA 12 -1.587 -4.406 -6.964 265 2HB ALA 12 2HB ALA 12 -3.327 -4.539 -7.212 266 3HB ALA 12 3HB ALA 12 -2.434 -3.204 -7.938 267 H GLU 13 H GLU 13 -4.762 -4.176 -4.813 268 HA GLU 13 HA GLU 13 -6.842 -2.486 -5.960 269 1HB GLU 13 1HB GLU 13 -6.806 -4.608 -3.781 270 2HB GLU 13 2HB GLU 13 -8.276 -3.921 -4.474 271 1HG GLU 13 1HG GLU 13 -6.673 -4.710 -6.668 272 2HG GLU 13 2HG GLU 13 -6.605 -6.039 -5.511 273 H LYS 14 H LYS 14 -5.057 -2.737 -2.918 274 HA LYS 14 HA LYS 14 -6.700 -0.739 -1.533 275 1HB LYS 14 1HB LYS 14 -3.936 -1.905 -0.989 276 2HB LYS 14 2HB LYS 14 -4.919 -1.018 0.178 277 1HG LYS 14 1HG LYS 14 -5.712 -3.628 -1.146 278 2HG LYS 14 2HG LYS 14 -5.099 -3.470 0.500 279 1HD LYS 14 1HD LYS 14 -7.185 -3.042 1.225 280 2HD LYS 14 2HD LYS 14 -7.232 -1.600 0.210 281 1HE LYS 14 1HE LYS 14 -8.114 -2.856 -1.663 282 2HE LYS 14 2HE LYS 14 -7.874 -4.391 -0.805 283 1HZ LYS 14 1HZ LYS 14 -9.559 -2.159 0.196 284 2HZ LYS 14 2HZ LYS 14 -10.170 -3.522 -0.613 285 3HZ LYS 14 3HZ LYS 14 -9.397 -3.698 0.890 286 H GLN 15 H GLN 15 -3.704 -0.949 -3.310 287 HA GLN 15 HA GLN 15 -2.758 1.741 -2.930 288 1HB GLN 15 1HB GLN 15 -2.145 -0.737 -4.356 289 2HB GLN 15 2HB GLN 15 -1.779 0.667 -5.343 290 1HG GLN 15 1HG GLN 15 -0.157 1.445 -3.878 291 2HG GLN 15 2HG GLN 15 -0.927 0.690 -2.482 292 1HE2 GLN 15 2HE2 GLN 15 -0.938 -1.834 -2.598 293 2HE2 GLN 15 1HE2 GLN 15 0.485 -2.567 -3.172 294 H ALA 16 H ALA 16 -4.434 0.107 -5.626 295 HA ALA 16 HA ALA 16 -4.707 2.459 -7.260 296 1HB ALA 16 1HB ALA 16 -4.937 0.022 -7.926 297 2HB ALA 16 2HB ALA 16 -6.506 0.013 -7.119 298 3HB ALA 16 3HB ALA 16 -6.241 1.051 -8.520 299 H GLN 17 H GLN 17 -6.634 1.166 -4.586 300 HA GLN 17 HA GLN 17 -8.898 2.963 -5.073 301 1HB GLN 17 1HB GLN 17 -7.961 0.989 -3.035 302 2HB GLN 17 2HB GLN 17 -9.119 2.198 -2.485 303 1HG GLN 17 1HG GLN 17 -9.772 0.941 -5.084 304 2HG GLN 17 2HG GLN 17 -9.833 -0.144 -3.694 305 1HE2 GLN 17 2HE2 GLN 17 -10.581 3.365 -3.720 306 2HE2 GLN 17 1HE2 GLN 17 -12.201 3.182 -3.251 307 H TRP 18 H TRP 18 -5.991 2.895 -3.112 308 HA TRP 18 HA TRP 18 -6.497 5.392 -1.699 309 1HB TRP 18 1HB TRP 18 -5.020 3.648 -0.816 310 2HB TRP 18 2HB TRP 18 -4.043 3.701 -2.269 311 HD1 TRP 18 HD1 TRP 18 -4.591 5.554 0.992 312 HE1 TRP 18 HE1 TRP 18 -2.836 7.445 1.162 313 HE3 TRP 18 HE3 TRP 18 -2.614 5.331 -3.644 314 HZ2 TRP 18 HZ2 TRP 18 -0.840 8.674 -0.472 315 HZ3 TRP 18 HZ3 TRP 18 -0.817 6.827 -4.324 316 HH2 TRP 18 HH2 TRP 18 0.091 8.479 -2.769 317 H LYS 19 H LYS 19 -4.443 4.372 -4.384 318 HA LYS 19 HA LYS 19 -3.266 6.873 -5.031 319 1HB LYS 19 1HB LYS 19 -3.926 4.348 -6.564 320 2HB LYS 19 2HB LYS 19 -3.112 5.703 -7.332 321 1HG LYS 19 1HG LYS 19 -1.422 5.593 -5.419 322 2HG LYS 19 2HG LYS 19 -2.124 4.026 -5.030 323 1HD LYS 19 1HD LYS 19 -1.000 4.785 -7.741 324 2HD LYS 19 2HD LYS 19 -0.138 3.841 -6.528 325 1HE LYS 19 1HE LYS 19 -2.082 2.198 -6.573 326 2HE LYS 19 2HE LYS 19 -2.673 3.070 -8.002 327 1HZ LYS 19 1HZ LYS 19 -0.398 2.813 -8.945 328 2HZ LYS 19 2HZ LYS 19 -0.025 1.771 -7.657 329 3HZ LYS 19 3HZ LYS 19 -1.237 1.350 -8.770 330 H ALA 20 H ALA 20 -6.322 5.356 -5.918 331 HA ALA 20 HA ALA 20 -7.103 7.190 -7.938 332 1HB ALA 20 1HB ALA 20 -8.321 5.197 -6.141 333 2HB ALA 20 2HB ALA 20 -9.432 6.437 -6.724 334 3HB ALA 20 3HB ALA 20 -8.552 5.429 -7.874 335 H ALA 21 H ALA 21 -7.127 7.389 -4.434 336 HA ALA 21 HA ALA 21 -8.340 10.115 -4.638 337 1HB ALA 21 1HB ALA 21 -9.604 8.200 -3.471 338 2HB ALA 21 2HB ALA 21 -8.361 8.297 -2.224 339 3HB ALA 21 3HB ALA 21 -9.404 9.684 -2.540 340 H ASN 22 H ASN 22 -5.519 9.225 -4.797 341 HA ASN 22 HA ASN 22 -4.420 11.196 -2.898 342 1HB ASN 22 1HB ASN 22 -3.677 8.257 -2.860 343 2HB ASN 22 2HB ASN 22 -2.777 9.519 -2.024 344 1HD2 ASN 22 2HD2 ASN 22 -5.102 7.237 -1.501 345 2HD2 ASN 22 1HD2 ASN 22 -5.926 7.949 -0.198 346 HA PRO 23 HA PRO 23 -2.238 10.492 -7.028 347 1HB PRO 23 1HB PRO 23 -3.096 12.776 -8.282 348 2HB PRO 23 2HB PRO 23 -3.949 11.225 -8.422 349 1HG PRO 23 1HG PRO 23 -4.570 13.580 -6.713 350 2HG PRO 23 2HG PRO 23 -5.666 12.493 -7.582 351 1HD PRO 23 1HD PRO 23 -5.187 12.318 -4.904 352 2HD PRO 23 2HD PRO 23 -5.651 10.928 -5.898 353 H LEU 24 H LEU 24 -2.960 13.161 -4.895 354 HA LEU 24 HA LEU 24 -0.786 14.914 -5.433 355 1HB LEU 24 1HB LEU 24 -1.499 15.918 -3.440 356 2HB LEU 24 2HB LEU 24 -2.908 14.923 -3.789 357 HG LEU 24 HG LEU 24 -0.627 13.939 -2.045 358 1HD1 LEU 24 1HD1 LEU 24 -1.962 16.112 -1.323 359 2HD1 LEU 24 2HD1 LEU 24 -3.196 14.931 -0.884 360 3HD1 LEU 24 3HD1 LEU 24 -1.593 14.845 -0.155 361 1HD2 LEU 24 1HD2 LEU 24 -2.823 12.624 -3.161 362 2HD2 LEU 24 2HD2 LEU 24 -1.887 12.058 -1.779 363 3HD2 LEU 24 3HD2 LEU 24 -3.358 12.998 -1.527 364 H LEU 25 H LEU 25 -1.008 11.934 -3.602 365 HA LEU 25 HA LEU 25 1.891 12.020 -2.930 366 1HB LEU 25 1HB LEU 25 -0.587 10.584 -1.993 367 2HB LEU 25 2HB LEU 25 0.987 9.835 -1.702 368 HG LEU 25 HG LEU 25 0.641 12.725 -1.000 369 1HD1 LEU 25 1HD1 LEU 25 -1.296 11.141 -0.104 370 2HD1 LEU 25 2HD1 LEU 25 -0.050 10.648 1.043 371 3HD1 LEU 25 3HD1 LEU 25 -0.546 12.337 0.953 372 1HD2 LEU 25 1HD2 LEU 25 2.355 10.397 -0.252 373 2HD2 LEU 25 2HD2 LEU 25 2.806 12.079 -0.528 374 3HD2 LEU 25 3HD2 LEU 25 2.050 11.607 0.993 375 H VAL 26 H VAL 26 0.806 11.721 -5.578 376 HA VAL 26 HA VAL 26 2.057 9.167 -6.370 377 HB VAL 26 HB VAL 26 -0.805 9.764 -6.136 378 1HG1 VAL 26 1HG1 VAL 26 0.294 9.000 -8.852 379 2HG1 VAL 26 2HG1 VAL 26 -1.351 8.606 -8.353 380 3HG1 VAL 26 3HG1 VAL 26 -0.841 10.293 -8.454 381 1HG2 VAL 26 1HG2 VAL 26 0.399 7.774 -5.265 382 2HG2 VAL 26 2HG2 VAL 26 -0.939 7.325 -6.325 383 3HG2 VAL 26 3HG2 VAL 26 0.723 7.263 -6.923 384 H GLY 27 H GLY 27 3.458 9.870 -7.932 385 1HA GLY 27 1HA GLY 27 4.181 10.928 -9.924 386 2HA GLY 27 2HA GLY 27 2.506 11.416 -10.211 387 H VAL 28 H VAL 28 1.758 13.039 -8.304 388 HA VAL 28 HA VAL 28 3.125 15.500 -8.654 389 HB VAL 28 HB VAL 28 1.309 14.499 -6.440 390 1HG1 VAL 28 1HG1 VAL 28 2.794 16.903 -6.573 391 2HG1 VAL 28 2HG1 VAL 28 1.139 17.333 -7.010 392 3HG1 VAL 28 3HG1 VAL 28 1.465 16.531 -5.475 393 1HG2 VAL 28 1HG2 VAL 28 0.712 14.677 -9.071 394 2HG2 VAL 28 2HG2 VAL 28 -0.466 15.014 -7.802 395 3HG2 VAL 28 3HG2 VAL 28 0.388 16.342 -8.586 396 H SER 29 H SER 29 4.642 16.591 -7.320 397 HA SER 29 HA SER 29 6.523 16.715 -5.901 398 1HB SER 29 1HB SER 29 4.394 15.233 -4.367 399 2HB SER 29 2HB SER 29 5.947 15.596 -3.622 400 HG SER 29 HG SER 29 5.408 17.634 -3.521 401 H ALA 30 H ALA 30 7.786 14.985 -4.235 402 HA ALA 30 HA ALA 30 9.286 13.152 -4.273 403 1HB ALA 30 1HB ALA 30 6.606 12.157 -5.210 404 2HB ALA 30 2HB ALA 30 7.974 11.045 -5.169 405 3HB ALA 30 3HB ALA 30 7.438 11.837 -3.688 406 H LYS 31 H LYS 31 10.442 14.440 -6.068 407 HA LYS 31 HA LYS 31 10.315 12.931 -8.659 408 1HB LYS 31 1HB LYS 31 10.985 15.828 -8.051 409 2HB LYS 31 2HB LYS 31 11.061 15.099 -9.655 410 1HG LYS 31 1HG LYS 31 8.728 14.784 -9.758 411 2HG LYS 31 2HG LYS 31 8.539 14.954 -8.012 412 1HD LYS 31 1HD LYS 31 7.759 17.005 -8.988 413 2HD LYS 31 2HD LYS 31 9.333 17.352 -8.271 414 1HE LYS 31 1HE LYS 31 9.531 16.410 -11.051 415 2HE LYS 31 2HE LYS 31 8.642 17.938 -10.883 416 1HZ LYS 31 1HZ LYS 31 10.436 18.726 -9.413 417 2HZ LYS 31 2HZ LYS 31 11.313 17.309 -9.743 418 3HZ LYS 31 3HZ LYS 31 10.984 18.411 -10.990 419 HA PRO 32 HA PRO 32 14.518 11.962 -7.493 420 1HB PRO 32 1HB PRO 32 15.166 10.554 -9.749 421 2HB PRO 32 2HB PRO 32 14.176 9.877 -8.440 422 1HG PRO 32 1HG PRO 32 13.339 10.975 -11.072 423 2HG PRO 32 2HG PRO 32 12.691 9.602 -10.162 424 1HD PRO 32 1HD PRO 32 11.504 12.068 -10.260 425 2HD PRO 32 2HD PRO 32 11.296 10.916 -8.922 426 H VAL 33 H VAL 33 16.228 13.356 -7.740 427 HA VAL 33 HA VAL 33 16.343 15.084 -10.157 428 HB VAL 33 HB VAL 33 17.884 15.139 -7.543 429 1HG1 VAL 33 1HG1 VAL 33 18.622 16.379 -9.788 430 2HG1 VAL 33 2HG1 VAL 33 17.397 17.535 -9.262 431 3HG1 VAL 33 3HG1 VAL 33 18.768 17.164 -8.216 432 1HG2 VAL 33 1HG2 VAL 33 15.148 15.919 -8.238 433 2HG2 VAL 33 2HG2 VAL 33 15.904 15.782 -6.651 434 3HG2 VAL 33 3HG2 VAL 33 16.084 17.266 -7.587 435 H ASN 34 H ASN 34 18.270 12.715 -8.365 436 HA ASN 34 HA ASN 34 20.269 11.596 -8.930 437 1HB ASN 34 1HB ASN 34 18.603 10.869 -10.674 438 2HB ASN 34 2HB ASN 34 19.215 12.151 -11.721 439 1HD2 ASN 34 2HD2 ASN 34 20.965 9.856 -9.555 440 2HD2 ASN 34 1HD2 ASN 34 21.963 9.235 -10.779 441 H ARG 35 H ARG 35 20.647 14.312 -8.410 442 HA ARG 35 HA ARG 35 22.256 15.501 -10.565 443 1HB ARG 35 1HB ARG 35 20.984 17.044 -9.341 444 2HB ARG 35 2HB ARG 35 21.314 16.253 -7.805 445 1HG ARG 35 1HG ARG 35 23.660 17.020 -7.909 446 2HG ARG 35 2HG ARG 35 23.335 17.799 -9.458 447 1HD ARG 35 1HD ARG 35 21.421 18.569 -7.358 448 2HD ARG 35 2HD ARG 35 23.094 19.046 -7.006 449 HE ARG 35 HE ARG 35 21.452 20.114 -9.151 450 1HH1 ARG 35 1HH1 ARG 35 24.677 19.255 -8.196 451 2HH1 ARG 35 2HH1 ARG 35 25.423 20.379 -9.279 452 1HH2 ARG 35 1HH2 ARG 35 22.433 21.571 -10.557 453 2HH2 ARG 35 2HH2 ARG 35 24.161 21.684 -10.610 454 HA PRO 36 HA PRO 36 25.789 14.697 -7.461 455 1HB PRO 36 1HB PRO 36 25.282 13.223 -5.212 456 2HB PRO 36 2HB PRO 36 25.104 14.987 -5.270 457 1HG PRO 36 1HG PRO 36 23.022 12.870 -5.422 458 2HG PRO 36 2HG PRO 36 22.971 14.452 -4.628 459 1HD PRO 36 1HD PRO 36 21.795 13.916 -7.034 460 2HD PRO 36 2HD PRO 36 22.338 15.530 -6.530 Start of MODEL 19 1 1H5* G 1 1H5* G 1 11.519 -16.411 0.990 2 2H5* G 1 2H5* G 1 12.730 -16.499 2.290 3 H4* G 1 H4* G 1 11.441 -19.047 2.094 4 H3* G 1 H3* G 1 9.571 -16.665 2.114 5 H2* G 1 H2* G 1 8.269 -17.674 3.813 6 2HO* G 1 2HO* G 1 9.480 -20.074 4.083 7 H1* G 1 H1* G 1 10.370 -18.839 5.184 8 H8 G 1 H8 G 1 11.314 -15.337 4.264 9 H1 G 1 H1 G 1 7.229 -15.693 9.209 10 1H2 G 1 1H2 G 1 6.233 -17.700 9.197 11 2H2 G 1 2H2 G 1 7.083 -19.055 8.488 12 1H5* C 2 1H5* C 2 6.135 -17.241 1.093 13 2H5* C 2 2H5* C 2 7.093 -16.577 2.436 14 H4* C 2 H4* C 2 4.639 -18.266 2.926 15 H3* C 2 H3* C 2 4.802 -15.286 2.378 16 H2* C 2 H2* C 2 3.260 -14.882 4.105 17 2HO* C 2 2HO* C 2 1.975 -16.512 4.996 18 H1* C 2 H1* C 2 4.146 -16.897 5.829 19 1H4 C 2 1H4 C 2 6.387 -11.287 7.899 20 2H4 C 2 2H4 C 2 7.948 -11.743 7.256 21 H5 C 2 H5 C 2 7.612 -12.876 4.953 22 H6 C 2 H6 C 2 6.906 -15.147 4.275 23 1H5* C 3 1H5* C 3 0.462 -13.570 1.554 24 2H5* C 3 2H5* C 3 1.677 -12.361 2.005 25 H4* C 3 H4* C 3 -0.042 -14.071 3.801 26 H3* C 3 H3* C 3 0.535 -11.123 3.470 27 H2* C 3 H2* C 3 0.263 -10.766 5.766 28 2HO* C 3 2HO* C 3 -0.820 -12.056 7.115 29 H1* C 3 H1* C 3 1.434 -13.139 6.618 30 1H4 C 3 1H4 C 3 5.857 -8.568 7.170 31 2H4 C 3 2H4 C 3 6.312 -8.803 5.497 32 H5 C 3 H5 C 3 5.180 -10.400 4.063 33 H6 C 3 H6 C 3 3.389 -12.022 3.898 34 1H5* C 4 1H5* C 4 -3.525 -9.854 4.748 35 2H5* C 4 2H5* C 4 -1.764 -10.068 4.772 36 H4* C 4 H4* C 4 -3.370 -9.873 7.318 37 H3* C 4 H3* C 4 -2.352 -7.611 5.566 38 H2* C 4 H2* C 4 -1.608 -6.461 7.467 39 2HO* C 4 2HO* C 4 -2.281 -7.035 9.573 40 H1* C 4 H1* C 4 -0.808 -8.683 8.934 41 1H4 C 4 1H4 C 4 4.148 -5.814 5.906 42 2H4 C 4 2H4 C 4 4.599 -7.468 5.583 43 H5 C 4 H5 C 4 2.223 -8.357 4.623 44 H6 C 4 H6 C 4 0.154 -9.066 5.511 45 1H5* U 5 1H5* U 5 -4.429 -5.784 8.548 46 2H5* U 5 2H5* U 5 -5.585 -4.578 7.939 47 H4* U 5 H4* U 5 -4.191 -3.458 9.515 48 H3* U 5 H3* U 5 -3.336 -2.851 6.667 49 H2* U 5 H2* U 5 -1.705 -1.401 7.535 50 2HO* U 5 2HO* U 5 -2.371 -1.461 10.187 51 H1* U 5 H1* U 5 -1.220 -2.914 9.868 52 H3 U 5 H3 U 5 2.653 -2.231 7.622 53 H5 U 5 H5 U 5 0.759 -5.280 5.484 54 H6 U 5 H6 U 5 -1.206 -4.872 6.801 55 1H5* G 6 1H5* G 6 -2.666 0.035 7.495 56 2H5* G 6 2H5* G 6 -3.212 1.517 8.296 57 H4* G 6 H4* G 6 -2.539 2.857 6.539 58 H3* G 6 H3* G 6 -2.993 0.444 4.753 59 H2* G 6 H2* G 6 -1.398 1.264 3.249 60 2HO* G 6 2HO* G 6 -1.520 3.321 2.838 61 H1* G 6 H1* G 6 0.324 2.374 5.163 62 H8 G 6 H8 G 6 -1.253 -1.148 5.295 63 H1 G 6 H1 G 6 4.800 -0.887 3.146 64 1H2 G 6 1H2 G 6 5.317 1.261 2.675 65 2H2 G 6 2H2 G 6 4.566 2.488 3.680 66 1H5* A 7 1H5* A 7 -4.781 1.732 0.460 67 2H5* A 7 2H5* A 7 -3.766 0.280 0.556 68 H4* A 7 H4* A 7 -2.922 1.677 -1.218 69 H3* A 7 H3* A 7 -1.219 1.807 1.294 70 H2* A 7 H2* A 7 0.257 3.255 0.130 71 2HO* A 7 2HO* A 7 0.597 3.129 -1.952 72 H1* A 7 H1* A 7 -1.724 4.477 -1.410 73 H8 A 7 H8 A 7 -2.869 4.724 2.105 74 1H6 A 7 1H6 A 7 1.154 8.425 3.612 75 2H6 A 7 2H6 A 7 -0.119 9.397 2.908 76 H2 A 7 H2 A 7 2.103 7.337 -1.004 77 1H5* A 8 1H5* A 8 0.889 0.704 -1.583 78 2H5* A 8 2H5* A 8 2.219 -0.470 -1.692 79 H4* A 8 H4* A 8 3.156 1.711 -2.043 80 H3* A 8 H3* A 8 3.628 0.684 0.772 81 H2* A 8 H2* A 8 4.923 2.618 1.225 82 2HO* A 8 2HO* A 8 5.906 3.755 -0.283 83 H1* A 8 H1* A 8 3.246 4.356 -0.210 84 H8 A 8 H8 A 8 1.020 2.118 1.733 85 1H6 A 8 1H6 A 8 1.281 4.240 6.120 86 2H6 A 8 2H6 A 8 2.124 5.661 6.694 87 H2 A 8 H2 A 8 5.180 6.666 3.559 88 1H5* A 9 2H5* A 9 8.305 -0.849 -1.942 89 2H5* A 9 1H5* A 9 7.271 0.066 -0.823 90 H4* A 9 H4* A 9 9.369 1.087 -2.357 91 H3* A 9 H3* A 9 7.013 2.407 -0.981 92 H2* A 9 H2* A 9 7.742 4.485 -1.860 93 2HO* A 9 2HO* A 9 9.752 4.830 -2.641 94 H1* A 9 H1* A 9 8.480 3.447 -4.347 95 H8 A 9 H8 A 9 5.973 4.786 -2.094 96 1H6 A 9 1H6 A 9 2.239 5.395 -6.100 97 2H6 A 9 2H6 A 9 1.539 3.924 -5.464 98 H2 A 9 H2 A 9 5.259 1.864 -7.762 99 1H5* A 10 1H5* A 10 9.712 1.149 4.107 100 2H5* A 10 2H5* A 10 8.084 1.615 3.575 101 H4* A 10 H4* A 10 10.130 3.778 3.674 102 H3* A 10 H3* A 10 9.033 2.356 6.101 103 H2* A 10 H2* A 10 8.595 4.398 7.175 104 2HO* A 10 2HO* A 10 9.787 6.108 6.889 105 H1* A 10 H1* A 10 7.776 5.811 4.918 106 H8 A 10 H8 A 10 5.955 2.888 4.155 107 1H6 A 10 1H6 A 10 2.108 3.437 7.373 108 2H6 A 10 2H6 A 10 2.429 3.310 9.087 109 H2 A 10 H2 A 10 5.780 6.388 9.539 110 1H5* A 11 1H5* A 11 10.463 5.017 9.346 111 2H5* A 11 2H5* A 11 11.008 3.555 10.199 112 H4* A 11 H4* A 11 8.699 4.813 10.787 113 H3* A 11 H3* A 11 9.307 1.848 10.818 114 H2* A 11 H2* A 11 7.055 1.378 11.335 115 2HO* A 11 2HO* A 11 6.447 4.098 11.709 116 H1* A 11 H1* A 11 5.917 3.363 9.778 117 H8 A 11 H8 A 11 8.687 1.689 7.852 118 1H6 A 11 1H6 A 11 4.835 -2.860 6.550 119 2H6 A 11 2H6 A 11 5.707 -1.723 5.553 120 H2 A 11 H2 A 11 2.709 -0.050 9.438 121 1H5* G 12 1H5* G 12 9.489 -1.152 13.636 122 2H5* G 12 2H5* G 12 9.298 -0.252 12.121 123 H4* G 12 H4* G 12 7.158 0.342 14.010 124 H3* G 12 H3* G 12 7.621 -2.539 13.232 125 H2* G 12 H2* G 12 5.305 -2.776 12.790 126 2HO* G 12 2HO* G 12 4.103 -0.592 13.368 127 H1* G 12 H1* G 12 4.949 -0.238 11.667 128 H8 G 12 H8 G 12 7.919 -1.049 9.902 129 H1 G 12 H1 G 12 3.280 -5.217 8.356 130 1H2 G 12 1H2 G 12 1.758 -5.278 9.962 131 2H2 G 12 2H2 G 12 1.614 -3.949 11.089 132 1H5* G 13 1H5* G 13 4.943 -2.960 16.211 133 2H5* G 13 2H5* G 13 5.308 -4.071 17.548 134 H4* G 13 H4* G 13 3.251 -4.794 16.510 135 H3* G 13 H3* G 13 5.635 -6.482 15.702 136 H2* G 13 H2* G 13 4.207 -7.784 14.385 137 2HO* G 13 2HO* G 13 2.224 -6.827 16.110 138 H1* G 13 H1* G 13 2.490 -5.707 13.604 139 H8 G 13 H8 G 13 5.973 -4.547 13.014 140 H1 G 13 H1 G 13 3.949 -8.802 8.644 141 1H2 G 13 1H2 G 13 2.211 -9.932 9.465 142 2H2 G 13 2H2 G 13 1.241 -9.220 10.735 143 1H5* G 14 1H5* G 14 1.393 -9.236 17.640 144 2H5* G 14 2H5* G 14 2.632 -10.359 18.247 145 H4* G 14 H4* G 14 0.669 -11.330 16.824 146 H3* G 14 H3* G 14 3.585 -11.907 16.264 147 H2* G 14 H2* G 14 2.908 -13.316 14.488 148 2HO* G 14 2HO* G 14 0.182 -13.061 14.982 149 H1* G 14 H1* G 14 0.821 -11.694 13.608 150 H8 G 14 H8 G 14 3.634 -9.392 14.310 151 H1 G 14 H1 G 14 4.588 -12.929 9.022 152 1H2 G 14 1H2 G 14 2.749 -14.290 8.775 153 2H2 G 14 2H2 G 14 2.239 -15.014 10.282 154 1H5* C 15 1H5* C 15 1.666 -15.313 16.003 155 2H5* C 15 2H5* C 15 2.171 -16.536 17.196 156 H4* C 15 H4* C 15 2.135 -17.770 15.210 157 H3* C 15 H3* C 15 4.924 -16.674 15.650 158 H2* C 15 H2* C 15 5.612 -17.763 13.675 159 2HO* C 15 2HO* C 15 3.326 -19.376 14.108 160 H1* C 15 H1* C 15 3.159 -17.449 12.322 161 1H4 C 15 1H4 C 15 7.152 -13.369 9.578 162 2H4 C 15 2H4 C 15 7.317 -12.450 11.067 163 H5 C 15 H5 C 15 5.657 -12.791 12.864 164 H6 C 15 H6 C 15 4.153 -14.384 13.863 165 2H ASP 2 2H ASP 2 10.560 -11.919 -1.109 166 1H ASP 2 1H ASP 2 10.352 -13.465 -0.436 167 3H ASP 2 3H ASP 2 11.754 -12.567 -0.095 168 HA ASP 2 HA ASP 2 10.482 -12.281 1.828 169 1HB ASP 2 1HB ASP 2 9.757 -10.004 -0.037 170 2HB ASP 2 2HB ASP 2 9.959 -9.914 1.711 171 H ALA 3 H ALA 3 8.184 -10.706 2.109 172 HA ALA 3 HA ALA 3 6.006 -12.249 0.768 173 1HB ALA 3 1HB ALA 3 6.427 -11.854 3.744 174 2HB ALA 3 2HB ALA 3 4.989 -12.578 3.026 175 3HB ALA 3 3HB ALA 3 6.551 -13.378 2.866 176 H GLN 4 H GLN 4 6.950 -9.428 2.706 177 HA GLN 4 HA GLN 4 4.366 -8.132 2.516 178 1HB GLN 4 1HB GLN 4 6.154 -7.662 4.221 179 2HB GLN 4 2HB GLN 4 7.137 -6.957 2.939 180 1HG GLN 4 1HG GLN 4 5.256 -5.377 2.448 181 2HG GLN 4 2HG GLN 4 4.419 -6.000 3.868 182 1HE2 GLN 4 2HE2 GLN 4 5.516 -3.254 3.356 183 2HE2 GLN 4 1HE2 GLN 4 6.581 -2.952 4.644 184 H THR 5 H THR 5 7.475 -7.461 0.902 185 HA THR 5 HA THR 5 6.597 -5.574 -0.994 186 HB THR 5 HB THR 5 8.550 -7.889 -1.287 187 HG1 THR 5 HG1 THR 5 8.829 -5.186 -0.484 188 1HG2 THR 5 1HG2 THR 5 7.965 -5.472 -2.976 189 2HG2 THR 5 2HG2 THR 5 9.584 -6.173 -2.953 190 3HG2 THR 5 3HG2 THR 5 8.209 -7.145 -3.481 191 H ARG 6 H ARG 6 6.173 -9.054 -0.849 192 HA ARG 6 HA ARG 6 5.022 -9.392 -3.497 193 1HB ARG 6 1HB ARG 6 5.657 -10.926 -1.104 194 2HB ARG 6 2HB ARG 6 4.054 -11.352 -1.720 195 1HG ARG 6 1HG ARG 6 4.897 -12.270 -3.647 196 2HG ARG 6 2HG ARG 6 6.212 -11.099 -3.755 197 1HD ARG 6 1HD ARG 6 7.335 -13.115 -3.219 198 2HD ARG 6 2HD ARG 6 7.144 -12.341 -1.634 199 HE ARG 6 HE ARG 6 5.591 -14.026 -1.067 200 1HH1 ARG 6 2HH1 ARG 6 6.002 -13.817 -4.508 201 2HH1 ARG 6 1HH1 ARG 6 5.004 -15.194 -4.828 202 1HH2 ARG 6 1HH2 ARG 6 4.295 -15.813 -1.496 203 2HH2 ARG 6 2HH2 ARG 6 4.041 -16.319 -3.133 204 H ARG 7 H ARG 7 3.770 -9.122 -0.172 205 HA ARG 7 HA ARG 7 1.026 -9.344 -0.826 206 1HB ARG 7 1HB ARG 7 1.806 -9.504 1.445 207 2HB ARG 7 2HB ARG 7 2.534 -7.899 1.368 208 1HG ARG 7 1HG ARG 7 0.153 -7.019 0.919 209 2HG ARG 7 2HG ARG 7 -0.405 -8.607 1.441 210 1HD ARG 7 1HD ARG 7 0.165 -8.222 3.637 211 2HD ARG 7 2HD ARG 7 1.558 -7.216 3.211 212 HE ARG 7 HE ARG 7 0.111 -5.354 3.211 213 1HH1 ARG 7 1HH1 ARG 7 -1.681 -8.297 2.897 214 2HH1 ARG 7 2HH1 ARG 7 -3.213 -7.503 2.986 215 1HH2 ARG 7 1HH2 ARG 7 -1.844 -4.328 3.327 216 2HH2 ARG 7 2HH2 ARG 7 -3.306 -5.244 3.229 217 H ARG 8 H ARG 8 3.237 -6.597 -0.916 218 HA ARG 8 HA ARG 8 1.411 -4.444 -1.234 219 1HB ARG 8 1HB ARG 8 4.136 -4.845 -1.242 220 2HB ARG 8 2HB ARG 8 3.854 -4.509 -2.944 221 1HG ARG 8 1HG ARG 8 4.378 -2.461 -1.594 222 2HG ARG 8 2HG ARG 8 2.827 -2.378 -2.419 223 1HD ARG 8 1HD ARG 8 3.020 -1.694 0.145 224 2HD ARG 8 2HD ARG 8 1.609 -2.592 -0.431 225 HE ARG 8 HE ARG 8 3.838 -4.310 0.399 226 1HH1 ARG 8 1HH1 ARG 8 0.968 -2.620 1.353 227 2HH1 ARG 8 2HH1 ARG 8 0.672 -3.640 2.711 228 1HH2 ARG 8 1HH2 ARG 8 3.438 -5.634 2.167 229 2HH2 ARG 8 2HH2 ARG 8 2.064 -5.338 3.172 230 H GLU 9 H GLU 9 2.707 -6.753 -3.594 231 HA GLU 9 HA GLU 9 1.417 -5.619 -5.899 232 1HB GLU 9 1HB GLU 9 2.105 -8.503 -5.204 233 2HB GLU 9 2HB GLU 9 1.789 -7.900 -6.830 234 1HG GLU 9 1HG GLU 9 3.821 -6.318 -5.445 235 2HG GLU 9 2HG GLU 9 4.281 -8.015 -5.591 236 H ARG 10 H ARG 10 0.458 -7.780 -3.325 237 HA ARG 10 HA ARG 10 -2.181 -8.406 -4.352 238 1HB ARG 10 1HB ARG 10 -0.477 -8.935 -2.051 239 2HB ARG 10 2HB ARG 10 -2.126 -8.585 -1.538 240 1HG ARG 10 1HG ARG 10 -3.005 -10.334 -2.948 241 2HG ARG 10 2HG ARG 10 -1.425 -10.591 -3.692 242 1HD ARG 10 1HD ARG 10 -0.835 -12.017 -2.029 243 2HD ARG 10 2HD ARG 10 -1.195 -10.782 -0.808 244 HE ARG 10 HE ARG 10 -3.294 -11.804 -0.483 245 1HH1 ARG 10 1HH1 ARG 10 -1.943 -12.697 -3.553 246 2HH1 ARG 10 2HH1 ARG 10 -3.217 -13.810 -3.922 247 1HH2 ARG 10 1HH2 ARG 10 -4.943 -13.253 -0.971 248 2HH2 ARG 10 2HH2 ARG 10 -4.907 -14.124 -2.468 249 H ARG 11 H ARG 11 -0.683 -5.684 -2.852 250 HA ARG 11 HA ARG 11 -3.263 -4.600 -1.885 251 1HB ARG 11 1HB ARG 11 -0.393 -3.622 -1.807 252 2HB ARG 11 2HB ARG 11 -1.757 -2.782 -1.072 253 1HG ARG 11 1HG ARG 11 -0.702 -5.537 -0.345 254 2HG ARG 11 2HG ARG 11 -0.672 -4.105 0.663 255 1HD ARG 11 1HD ARG 11 -2.767 -4.548 1.419 256 2HD ARG 11 2HD ARG 11 -3.389 -4.660 -0.229 257 HE ARG 11 HE ARG 11 -1.761 -6.960 0.533 258 1HH1 ARG 11 1HH1 ARG 11 -4.933 -5.542 0.545 259 2HH1 ARG 11 2HH1 ARG 11 -5.741 -7.067 0.653 260 1HH2 ARG 11 1HH2 ARG 11 -2.825 -8.933 0.674 261 2HH2 ARG 11 2HH2 ARG 11 -4.556 -8.977 0.726 262 H ALA 12 H ALA 12 -1.844 -4.807 -4.863 263 HA ALA 12 HA ALA 12 -1.811 -2.132 -5.877 264 1HB ALA 12 1HB ALA 12 -1.105 -4.221 -7.075 265 2HB ALA 12 2HB ALA 12 -2.799 -4.699 -7.197 266 3HB ALA 12 3HB ALA 12 -2.226 -3.259 -8.040 267 H GLU 13 H GLU 13 -4.429 -4.257 -4.935 268 HA GLU 13 HA GLU 13 -6.556 -2.701 -6.189 269 1HB GLU 13 1HB GLU 13 -6.525 -4.768 -3.959 270 2HB GLU 13 2HB GLU 13 -7.972 -4.206 -4.793 271 1HG GLU 13 1HG GLU 13 -7.598 -5.959 -6.190 272 2HG GLU 13 2HG GLU 13 -6.366 -4.916 -6.903 273 H LYS 14 H LYS 14 -4.885 -2.817 -3.068 274 HA LYS 14 HA LYS 14 -6.702 -0.898 -1.786 275 1HB LYS 14 1HB LYS 14 -3.940 -1.997 -1.122 276 2HB LYS 14 2HB LYS 14 -4.925 -1.032 -0.017 277 1HG LYS 14 1HG LYS 14 -6.130 -3.478 -1.257 278 2HG LYS 14 2HG LYS 14 -5.003 -3.670 0.086 279 1HD LYS 14 1HD LYS 14 -6.741 -1.569 0.829 280 2HD LYS 14 2HD LYS 14 -7.767 -2.834 0.152 281 1HE LYS 14 1HE LYS 14 -5.606 -3.696 2.033 282 2HE LYS 14 2HE LYS 14 -7.033 -2.897 2.724 283 1HZ LYS 14 1HZ LYS 14 -7.163 -5.117 0.754 284 2HZ LYS 14 2HZ LYS 14 -7.300 -5.338 2.433 285 3HZ LYS 14 3HZ LYS 14 -8.461 -4.423 1.602 286 H GLN 15 H GLN 15 -3.637 -0.970 -3.449 287 HA GLN 15 HA GLN 15 -2.849 1.772 -3.049 288 1HB GLN 15 1HB GLN 15 -2.027 -0.680 -4.404 289 2HB GLN 15 2HB GLN 15 -1.713 0.724 -5.410 290 1HG GLN 15 1HG GLN 15 -0.209 1.641 -3.893 291 2HG GLN 15 2HG GLN 15 -0.976 0.848 -2.515 292 1HE2 GLN 15 2HE2 GLN 15 -0.809 -1.663 -2.590 293 2HE2 GLN 15 1HE2 GLN 15 0.679 -2.307 -3.103 294 H ALA 16 H ALA 16 -4.301 0.011 -5.795 295 HA ALA 16 HA ALA 16 -4.663 2.352 -7.445 296 1HB ALA 16 1HB ALA 16 -5.970 -0.389 -7.332 297 2HB ALA 16 2HB ALA 16 -6.277 0.770 -8.625 298 3HB ALA 16 3HB ALA 16 -4.654 0.122 -8.390 299 H GLN 17 H GLN 17 -6.533 0.917 -4.829 300 HA GLN 17 HA GLN 17 -8.947 2.488 -5.406 301 1HB GLN 17 1HB GLN 17 -7.913 0.670 -3.234 302 2HB GLN 17 2HB GLN 17 -9.349 1.646 -2.933 303 1HG GLN 17 1HG GLN 17 -9.243 0.122 -5.496 304 2HG GLN 17 2HG GLN 17 -9.518 -0.796 -4.015 305 1HE2 GLN 17 2HE2 GLN 17 -10.950 1.504 -6.243 306 2HE2 GLN 17 1HE2 GLN 17 -12.465 1.590 -5.483 307 H TRP 18 H TRP 18 -6.089 2.662 -3.379 308 HA TRP 18 HA TRP 18 -6.882 5.078 -1.943 309 1HB TRP 18 1HB TRP 18 -5.298 3.470 -0.997 310 2HB TRP 18 2HB TRP 18 -4.273 3.597 -2.412 311 HD1 TRP 18 HD1 TRP 18 -5.083 5.391 0.825 312 HE1 TRP 18 HE1 TRP 18 -3.505 7.427 1.055 313 HE3 TRP 18 HE3 TRP 18 -2.923 5.346 -3.739 314 HZ2 TRP 18 HZ2 TRP 18 -1.562 8.830 -0.510 315 HZ3 TRP 18 HZ3 TRP 18 -1.233 6.990 -4.353 316 HH2 TRP 18 HH2 TRP 18 -0.526 8.711 -2.769 317 H LYS 19 H LYS 19 -4.641 4.250 -4.543 318 HA LYS 19 HA LYS 19 -3.667 6.846 -5.157 319 1HB LYS 19 1HB LYS 19 -4.060 4.280 -6.719 320 2HB LYS 19 2HB LYS 19 -3.329 5.703 -7.447 321 1HG LYS 19 1HG LYS 19 -1.704 5.710 -5.482 322 2HG LYS 19 2HG LYS 19 -2.295 4.092 -5.121 323 1HD LYS 19 1HD LYS 19 -1.145 4.948 -7.792 324 2HD LYS 19 2HD LYS 19 -0.250 4.071 -6.551 325 1HE LYS 19 1HE LYS 19 -2.311 2.401 -6.694 326 2HE LYS 19 2HE LYS 19 -2.472 3.103 -8.316 327 1HZ LYS 19 1HZ LYS 19 -0.080 2.711 -8.642 328 2HZ LYS 19 2HZ LYS 19 -0.011 1.922 -7.139 329 3HZ LYS 19 3HZ LYS 19 -0.936 1.266 -8.402 330 H ALA 20 H ALA 20 -6.546 5.066 -6.124 331 HA ALA 20 HA ALA 20 -7.431 6.810 -8.180 332 1HB ALA 20 1HB ALA 20 -8.546 4.744 -6.377 333 2HB ALA 20 2HB ALA 20 -9.721 5.843 -7.098 334 3HB ALA 20 3HB ALA 20 -8.666 4.878 -8.131 335 H ALA 21 H ALA 21 -7.573 7.007 -4.682 336 HA ALA 21 HA ALA 21 -9.020 9.610 -4.930 337 1HB ALA 21 1HB ALA 21 -10.299 7.773 -3.842 338 2HB ALA 21 2HB ALA 21 -9.006 7.604 -2.656 339 3HB ALA 21 3HB ALA 21 -9.962 9.085 -2.711 340 H ASN 22 H ASN 22 -6.132 8.978 -4.986 341 HA ASN 22 HA ASN 22 -5.283 11.019 -3.037 342 1HB ASN 22 1HB ASN 22 -4.275 8.160 -2.996 343 2HB ASN 22 2HB ASN 22 -3.523 9.491 -2.120 344 1HD2 ASN 22 2HD2 ASN 22 -5.651 7.004 -1.695 345 2HD2 ASN 22 1HD2 ASN 22 -6.582 7.626 -0.420 346 HA PRO 23 HA PRO 23 -2.878 10.545 -7.062 347 1HB PRO 23 1HB PRO 23 -3.953 12.669 -8.421 348 2HB PRO 23 2HB PRO 23 -4.600 11.020 -8.556 349 1HG PRO 23 1HG PRO 23 -5.601 13.320 -6.964 350 2HG PRO 23 2HG PRO 23 -6.502 12.065 -7.829 351 1HD PRO 23 1HD PRO 23 -6.101 12.064 -5.122 352 2HD PRO 23 2HD PRO 23 -6.388 10.599 -6.072 353 H LEU 24 H LEU 24 -4.037 13.110 -5.008 354 HA LEU 24 HA LEU 24 -2.136 15.150 -5.486 355 1HB LEU 24 1HB LEU 24 -3.007 16.018 -3.481 356 2HB LEU 24 2HB LEU 24 -4.265 14.859 -3.893 357 HG LEU 24 HG LEU 24 -1.928 14.131 -2.099 358 1HD1 LEU 24 1HD1 LEU 24 -3.578 16.107 -1.401 359 2HD1 LEU 24 2HD1 LEU 24 -4.615 14.748 -0.966 360 3HD1 LEU 24 3HD1 LEU 24 -3.019 14.909 -0.233 361 1HD2 LEU 24 1HD2 LEU 24 -3.831 12.536 -3.301 362 2HD2 LEU 24 2HD2 LEU 24 -2.993 12.122 -1.806 363 3HD2 LEU 24 3HD2 LEU 24 -4.586 12.881 -1.751 364 H LEU 25 H LEU 25 -1.948 12.158 -3.699 365 HA LEU 25 HA LEU 25 0.901 12.646 -2.975 366 1HB LEU 25 1HB LEU 25 -1.415 11.022 -1.997 367 2HB LEU 25 2HB LEU 25 0.187 10.304 -1.804 368 HG LEU 25 HG LEU 25 -0.123 13.159 -1.002 369 1HD1 LEU 25 1HD1 LEU 25 -2.097 11.592 -0.128 370 2HD1 LEU 25 2HD1 LEU 25 -0.857 11.076 1.013 371 3HD1 LEU 25 3HD1 LEU 25 -1.330 12.772 0.933 372 1HD2 LEU 25 1HD2 LEU 25 1.499 10.750 -0.275 373 2HD2 LEU 25 2HD2 LEU 25 2.031 12.401 -0.595 374 3HD2 LEU 25 3HD2 LEU 25 1.275 12.001 0.947 375 H VAL 26 H VAL 26 -0.020 12.238 -5.634 376 HA VAL 26 HA VAL 26 1.542 9.876 -6.415 377 HB VAL 26 HB VAL 26 -1.377 9.990 -6.088 378 1HG1 VAL 26 1HG1 VAL 26 -0.244 9.277 -8.805 379 2HG1 VAL 26 2HG1 VAL 26 -1.802 8.680 -8.230 380 3HG1 VAL 26 3HG1 VAL 26 -1.541 10.415 -8.425 381 1HG2 VAL 26 1HG2 VAL 26 0.701 7.856 -6.646 382 2HG2 VAL 26 2HG2 VAL 26 -0.100 8.218 -5.113 383 3HG2 VAL 26 3HG2 VAL 26 -1.014 7.486 -6.434 384 H GLY 27 H GLY 27 2.743 10.768 -8.062 385 1HA GLY 27 1HA GLY 27 3.242 11.933 -10.053 386 2HA GLY 27 2HA GLY 27 1.513 11.891 -10.414 387 H VAL 28 H VAL 28 0.174 13.450 -8.976 388 HA VAL 28 HA VAL 28 0.916 16.140 -9.409 389 HB VAL 28 HB VAL 28 -0.858 14.909 -7.274 390 1HG1 VAL 28 1HG1 VAL 28 -0.159 17.396 -7.071 391 2HG1 VAL 28 2HG1 VAL 28 -1.143 17.648 -8.513 392 3HG1 VAL 28 3HG1 VAL 28 -1.884 17.030 -7.038 393 1HG2 VAL 28 1HG2 VAL 28 -1.260 15.645 -10.172 394 2HG2 VAL 28 2HG2 VAL 28 -1.679 14.142 -9.351 395 3HG2 VAL 28 3HG2 VAL 28 -2.624 15.603 -9.054 396 H SER 29 H SER 29 1.808 17.737 -7.973 397 HA SER 29 HA SER 29 3.358 18.485 -6.355 398 1HB SER 29 1HB SER 29 1.519 16.522 -5.057 399 2HB SER 29 2HB SER 29 2.925 17.042 -4.132 400 HG SER 29 HG SER 29 2.257 19.173 -4.407 401 H ALA 30 H ALA 30 5.022 17.366 -4.597 402 HA ALA 30 HA ALA 30 7.054 16.148 -4.489 403 1HB ALA 30 1HB ALA 30 5.033 14.119 -5.505 404 2HB ALA 30 2HB ALA 30 6.622 13.689 -4.870 405 3HB ALA 30 3HB ALA 30 5.432 14.459 -3.821 406 H LYS 31 H LYS 31 7.123 17.703 -6.733 407 HA LYS 31 HA LYS 31 8.776 16.141 -8.565 408 1HB LYS 31 1HB LYS 31 7.256 16.450 -10.508 409 2HB LYS 31 2HB LYS 31 6.491 15.492 -9.242 410 1HG LYS 31 1HG LYS 31 5.224 17.392 -8.466 411 2HG LYS 31 2HG LYS 31 6.119 18.485 -9.522 412 1HD LYS 31 1HD LYS 31 5.171 17.475 -11.495 413 2HD LYS 31 2HD LYS 31 4.444 16.179 -10.545 414 1HE LYS 31 1HE LYS 31 2.672 17.478 -9.914 415 2HE LYS 31 2HE LYS 31 3.691 18.913 -9.684 416 1HZ LYS 31 1HZ LYS 31 3.923 19.033 -12.123 417 2HZ LYS 31 2HZ LYS 31 2.800 17.767 -12.276 418 3HZ LYS 31 3HZ LYS 31 2.318 19.250 -11.609 419 HA PRO 32 HA PRO 32 10.335 20.173 -9.386 420 1HB PRO 32 1HB PRO 32 11.200 19.957 -11.973 421 2HB PRO 32 2HB PRO 32 12.033 19.183 -10.609 422 1HG PRO 32 1HG PRO 32 10.179 18.002 -12.611 423 2HG PRO 32 2HG PRO 32 11.630 17.311 -11.870 424 1HD PRO 32 1HD PRO 32 9.083 16.676 -11.106 425 2HD PRO 32 2HD PRO 32 10.494 16.566 -10.033 426 H VAL 33 H VAL 33 10.242 21.892 -11.402 427 HA VAL 33 HA VAL 33 7.425 22.565 -11.690 428 HB VAL 33 HB VAL 33 8.382 24.507 -12.917 429 1HG1 VAL 33 1HG1 VAL 33 8.620 23.935 -10.265 430 2HG1 VAL 33 2HG1 VAL 33 10.310 24.198 -10.689 431 3HG1 VAL 33 3HG1 VAL 33 9.120 25.466 -10.982 432 1HG2 VAL 33 1HG2 VAL 33 10.241 22.973 -13.926 433 2HG2 VAL 33 2HG2 VAL 33 10.658 24.637 -13.517 434 3HG2 VAL 33 3HG2 VAL 33 11.114 23.322 -12.434 435 H ASN 34 H ASN 34 6.263 22.716 -13.712 436 HA ASN 34 HA ASN 34 7.267 20.823 -15.802 437 1HB ASN 34 1HB ASN 34 4.869 20.568 -16.324 438 2HB ASN 34 2HB ASN 34 5.155 20.286 -14.608 439 1HD2 ASN 34 2HD2 ASN 34 2.680 21.340 -16.071 440 2HD2 ASN 34 1HD2 ASN 34 2.318 22.802 -15.287 441 H ARG 35 H ARG 35 8.462 23.230 -16.098 442 HA ARG 35 HA ARG 35 6.985 24.463 -18.392 443 1HB ARG 35 1HB ARG 35 6.721 25.795 -16.308 444 2HB ARG 35 2HB ARG 35 8.478 25.899 -16.171 445 1HG ARG 35 1HG ARG 35 8.670 27.243 -18.099 446 2HG ARG 35 2HG ARG 35 7.064 26.800 -18.677 447 1HD ARG 35 1HD ARG 35 6.852 28.001 -16.049 448 2HD ARG 35 2HD ARG 35 7.732 29.082 -17.149 449 HE ARG 35 HE ARG 35 4.932 28.350 -17.390 450 1HH1 ARG 35 1HH1 ARG 35 7.827 29.130 -19.140 451 2HH1 ARG 35 2HH1 ARG 35 6.971 29.715 -20.525 452 1HH2 ARG 35 2HH2 ARG 35 3.831 29.113 -19.197 453 2HH2 ARG 35 1HH2 ARG 35 4.721 29.705 -20.559 454 HA PRO 36 HA PRO 36 11.440 23.418 -19.303 455 1HB PRO 36 1HB PRO 36 10.953 21.889 -21.519 456 2HB PRO 36 2HB PRO 36 10.995 21.221 -19.876 457 1HG PRO 36 1HG PRO 36 8.657 21.919 -21.575 458 2HG PRO 36 2HG PRO 36 8.875 20.569 -20.452 459 1HD PRO 36 1HD PRO 36 7.433 22.818 -19.868 460 2HD PRO 36 2HD PRO 36 8.215 21.796 -18.644 Start of MODEL 20 1 1H5* G 1 1H5* G 1 12.002 -16.968 1.181 2 2H5* G 1 2H5* G 1 13.013 -17.365 2.588 3 H4* G 1 H4* G 1 10.920 -19.356 2.161 4 H3* G 1 H3* G 1 10.121 -16.452 2.569 5 H2* G 1 H2* G 1 8.426 -17.176 4.056 6 2HO* G 1 2HO* G 1 7.550 -19.116 4.021 7 H1* G 1 H1* G 1 9.960 -19.186 5.217 8 H8 G 1 H8 G 1 12.049 -16.088 4.862 9 H1 G 1 H1 G 1 7.728 -15.765 9.607 10 1H2 G 1 1H2 G 1 6.556 -17.725 9.626 11 2H2 G 1 2H2 G 1 6.215 -18.407 8.053 12 1H5* C 2 1H5* C 2 6.331 -16.792 1.010 13 2H5* C 2 2H5* C 2 7.374 -16.705 2.447 14 H4* C 2 H4* C 2 4.707 -18.026 2.744 15 H3* C 2 H3* C 2 5.118 -15.049 2.336 16 H2* C 2 H2* C 2 3.628 -14.587 4.100 17 2HO* C 2 2HO* C 2 1.986 -16.046 3.451 18 H1* C 2 H1* C 2 4.361 -16.725 5.733 19 1H4 C 2 1H4 C 2 7.361 -11.744 8.235 20 2H4 C 2 2H4 C 2 8.593 -11.819 6.999 21 H5 C 2 H5 C 2 8.187 -13.053 4.915 22 H6 C 2 H6 C 2 7.191 -15.150 4.098 23 1H5* C 3 1H5* C 3 0.158 -13.156 1.457 24 2H5* C 3 2H5* C 3 1.774 -12.692 2.023 25 H4* C 3 H4* C 3 -0.245 -14.179 3.723 26 H3* C 3 H3* C 3 0.375 -11.230 3.478 27 H2* C 3 H2* C 3 0.149 -10.978 5.805 28 2HO* C 3 2HO* C 3 -1.556 -12.003 6.534 29 H1* C 3 H1* C 3 1.325 -13.404 6.490 30 1H4 C 3 1H4 C 3 5.508 -8.519 6.979 31 2H4 C 3 2H4 C 3 6.413 -9.326 5.718 32 H5 C 3 H5 C 3 5.089 -10.616 4.048 33 H6 C 3 H6 C 3 3.297 -12.237 3.843 34 1H5* C 4 1H5* C 4 -3.922 -10.053 4.845 35 2H5* C 4 2H5* C 4 -2.154 -10.088 4.701 36 H4* C 4 H4* C 4 -3.627 -9.932 7.343 37 H3* C 4 H3* C 4 -2.597 -7.721 5.530 38 H2* C 4 H2* C 4 -1.790 -6.562 7.397 39 2HO* C 4 2HO* C 4 -3.380 -8.282 9.007 40 H1* C 4 H1* C 4 -1.005 -8.777 8.880 41 1H4 C 4 1H4 C 4 4.450 -6.832 6.332 42 2H4 C 4 2H4 C 4 3.785 -6.862 4.718 43 H5 C 4 H5 C 4 1.942 -8.578 4.499 44 H6 C 4 H6 C 4 -0.108 -9.267 5.462 45 1H5* U 5 1H5* U 5 -4.695 -5.836 8.465 46 2H5* U 5 2H5* U 5 -5.809 -4.586 7.867 47 H4* U 5 H4* U 5 -4.366 -3.546 9.466 48 H3* U 5 H3* U 5 -3.537 -2.891 6.621 49 H2* U 5 H2* U 5 -1.861 -1.501 7.501 50 2HO* U 5 2HO* U 5 -3.673 -1.012 9.385 51 H1* U 5 H1* U 5 -1.379 -3.080 9.790 52 H3 U 5 H3 U 5 2.451 -2.384 7.451 53 H5 U 5 H5 U 5 0.514 -5.468 5.395 54 H6 U 5 H6 U 5 -1.436 -5.000 6.713 55 1H5* G 6 1H5* G 6 -2.822 -0.049 7.499 56 2H5* G 6 2H5* G 6 -3.326 1.449 8.298 57 H4* G 6 H4* G 6 -2.614 2.766 6.544 58 H3* G 6 H3* G 6 -3.149 0.376 4.747 59 H2* G 6 H2* G 6 -1.559 1.182 3.235 60 2HO* G 6 2HO* G 6 -2.369 3.589 4.156 61 H1* G 6 H1* G 6 0.194 2.255 5.155 62 H8 G 6 H8 G 6 -1.396 -1.265 5.217 63 H1 G 6 H1 G 6 4.668 -0.990 3.092 64 1H2 G 6 1H2 G 6 5.198 1.172 2.666 65 2H2 G 6 2H2 G 6 4.465 2.366 3.723 66 1H5* A 7 1H5* A 7 -4.922 1.903 0.467 67 2H5* A 7 2H5* A 7 -3.986 0.397 0.475 68 H4* A 7 H4* A 7 -3.048 1.830 -1.208 69 H3* A 7 H3* A 7 -1.382 1.796 1.332 70 H2* A 7 H2* A 7 0.170 3.227 0.246 71 2HO* A 7 2HO* A 7 0.577 3.085 -1.806 72 H1* A 7 H1* A 7 -1.745 4.591 -1.266 73 H8 A 7 H8 A 7 -2.928 4.705 2.242 74 1H6 A 7 1H6 A 7 1.109 9.280 3.249 75 2H6 A 7 2H6 A 7 0.001 8.185 4.044 76 H2 A 7 H2 A 7 2.155 7.338 -0.673 77 1H5* A 8 1H5* A 8 0.728 0.743 -1.574 78 2H5* A 8 2H5* A 8 2.026 -0.465 -1.703 79 H4* A 8 H4* A 8 3.026 1.689 -2.001 80 H3* A 8 H3* A 8 3.456 0.593 0.793 81 H2* A 8 H2* A 8 4.788 2.491 1.298 82 2HO* A 8 2HO* A 8 4.704 3.171 -1.463 83 H1* A 8 H1* A 8 3.185 4.299 -0.127 84 H8 A 8 H8 A 8 0.905 2.055 1.785 85 1H6 A 8 1H6 A 8 2.258 5.006 6.893 86 2H6 A 8 2H6 A 8 0.765 4.861 5.992 87 H2 A 8 H2 A 8 4.979 6.682 3.603 88 1H5* A 9 2H5* A 9 8.163 -0.862 -1.943 89 2H5* A 9 1H5* A 9 7.135 0.050 -0.816 90 H4* A 9 H4* A 9 9.214 1.074 -2.382 91 H3* A 9 H3* A 9 6.887 2.392 -0.957 92 H2* A 9 H2* A 9 7.613 4.473 -1.834 93 2HO* A 9 2HO* A 9 9.808 4.348 -1.491 94 H1* A 9 H1* A 9 8.296 3.445 -4.342 95 H8 A 9 H8 A 9 5.840 4.780 -2.029 96 1H6 A 9 1H6 A 9 1.322 3.995 -5.987 97 2H6 A 9 2H6 A 9 2.055 5.424 -5.295 98 H2 A 9 H2 A 9 5.025 1.948 -7.729 99 1H5* A 10 1H5* A 10 9.692 1.160 4.099 100 2H5* A 10 2H5* A 10 8.042 1.545 3.572 101 H4* A 10 H4* A 10 9.981 3.801 3.583 102 H3* A 10 H3* A 10 9.031 2.378 6.069 103 H2* A 10 H2* A 10 8.517 4.409 7.118 104 2HO* A 10 2HO* A 10 9.179 6.422 5.913 105 H1* A 10 H1* A 10 7.560 5.733 4.866 106 H8 A 10 H8 A 10 5.861 2.728 4.191 107 1H6 A 10 1H6 A 10 1.887 3.822 8.556 108 2H6 A 10 2H6 A 10 2.693 2.310 8.206 109 H2 A 10 H2 A 10 5.700 6.244 9.560 110 1H5* A 11 1H5* A 11 10.362 4.623 8.721 111 2H5* A 11 2H5* A 11 11.041 3.494 9.917 112 H4* A 11 H4* A 11 8.748 4.554 10.443 113 H3* A 11 H3* A 11 9.268 1.572 10.502 114 H2* A 11 H2* A 11 7.013 1.175 11.069 115 2HO* A 11 2HO* A 11 6.845 3.947 11.650 116 H1* A 11 H1* A 11 5.904 3.176 9.509 117 H8 A 11 H8 A 11 8.573 1.411 7.535 118 1H6 A 11 1H6 A 11 4.624 -3.072 6.382 119 2H6 A 11 2H6 A 11 5.451 -1.945 5.335 120 H2 A 11 H2 A 11 2.602 -0.183 9.284 121 1H5* G 12 1H5* G 12 9.513 -1.395 13.256 122 2H5* G 12 2H5* G 12 9.294 -0.464 11.764 123 H4* G 12 H4* G 12 7.200 0.124 13.695 124 H3* G 12 H3* G 12 7.626 -2.760 12.909 125 H2* G 12 H2* G 12 5.297 -2.979 12.520 126 2HO* G 12 2HO* G 12 4.894 -0.442 13.721 127 H1* G 12 H1* G 12 4.937 -0.435 11.407 128 H8 G 12 H8 G 12 7.853 -1.286 9.563 129 H1 G 12 H1 G 12 3.124 -5.403 8.166 130 1H2 G 12 1H2 G 12 1.387 -5.001 9.560 131 2H2 G 12 2H2 G 12 1.807 -4.531 11.192 132 1H5* G 13 1H5* G 13 4.864 -3.101 15.889 133 2H5* G 13 2H5* G 13 5.341 -4.088 17.287 134 H4* G 13 H4* G 13 3.234 -4.923 16.544 135 H3* G 13 H3* G 13 5.539 -6.611 15.575 136 H2* G 13 H2* G 13 4.054 -8.007 14.441 137 2HO* G 13 2HO* G 13 1.831 -8.031 14.805 138 H1* G 13 H1* G 13 2.261 -6.052 13.628 139 H8 G 13 H8 G 13 5.750 -4.819 13.046 140 H1 G 13 H1 G 13 3.769 -9.069 8.649 141 1H2 G 13 1H2 G 13 2.055 -10.254 9.515 142 2H2 G 13 2H2 G 13 0.983 -9.402 10.603 143 1H5* G 14 1H5* G 14 3.714 -10.114 18.208 144 2H5* G 14 2H5* G 14 4.128 -9.173 16.766 145 H4* G 14 H4* G 14 1.574 -10.769 16.852 146 H3* G 14 H3* G 14 4.367 -11.818 16.341 147 H2* G 14 H2* G 14 3.536 -13.112 14.549 148 2HO* G 14 2HO* G 14 0.866 -12.507 14.878 149 H1* G 14 H1* G 14 1.708 -11.227 13.629 150 H8 G 14 H8 G 14 4.815 -9.348 14.384 151 H1 G 14 H1 G 14 5.262 -12.865 9.008 152 1H2 G 14 1H2 G 14 3.708 -14.478 9.069 153 2H2 G 14 2H2 G 14 2.220 -14.151 9.930 154 1H5* C 15 1H5* C 15 1.890 -14.827 16.259 155 2H5* C 15 2H5* C 15 2.222 -16.252 17.272 156 H4* C 15 H4* C 15 1.855 -17.074 15.053 157 H3* C 15 H3* C 15 4.809 -16.917 15.727 158 H2* C 15 H2* C 15 5.285 -17.845 13.614 159 2HO* C 15 2HO* C 15 2.537 -18.552 13.379 160 H1* C 15 H1* C 15 3.120 -16.627 12.285 161 1H4 C 15 1H4 C 15 8.382 -13.664 10.361 162 2H4 C 15 2H4 C 15 8.579 -12.899 11.924 163 H5 C 15 H5 C 15 6.820 -13.054 13.626 164 H6 C 15 H6 C 15 4.888 -14.287 14.347 165 2H ASP 2 2H ASP 2 10.558 -13.083 -0.673 166 1H ASP 2 1H ASP 2 10.285 -14.026 0.713 167 3H ASP 2 3H ASP 2 11.666 -13.042 0.610 168 HA ASP 2 HA ASP 2 10.266 -11.793 1.973 169 1HB ASP 2 1HB ASP 2 9.634 -10.917 -0.858 170 2HB ASP 2 2HB ASP 2 9.780 -9.891 0.568 171 H ALA 3 H ALA 3 7.959 -10.408 1.248 172 HA ALA 3 HA ALA 3 5.790 -12.076 0.352 173 1HB ALA 3 1HB ALA 3 6.389 -11.917 3.315 174 2HB ALA 3 2HB ALA 3 4.816 -12.405 2.685 175 3HB ALA 3 3HB ALA 3 6.247 -13.370 2.326 176 H GLN 4 H GLN 4 6.833 -9.389 2.405 177 HA GLN 4 HA GLN 4 4.273 -8.035 2.420 178 1HB GLN 4 1HB GLN 4 6.256 -7.777 4.016 179 2HB GLN 4 2HB GLN 4 7.063 -6.877 2.735 180 1HG GLN 4 1HG GLN 4 4.350 -5.913 3.193 181 2HG GLN 4 2HG GLN 4 5.334 -5.817 4.649 182 1HE2 GLN 4 2HE2 GLN 4 4.540 -4.090 1.888 183 2HE2 GLN 4 1HE2 GLN 4 5.909 -3.090 1.795 184 H THR 5 H THR 5 7.314 -7.310 0.687 185 HA THR 5 HA THR 5 6.296 -5.340 -1.084 186 HB THR 5 HB THR 5 8.354 -7.550 -1.484 187 HG1 THR 5 HG1 THR 5 8.576 -4.822 -0.742 188 1HG2 THR 5 1HG2 THR 5 7.863 -5.013 -3.067 189 2HG2 THR 5 2HG2 THR 5 9.267 -6.064 -3.261 190 3HG2 THR 5 3HG2 THR 5 7.654 -6.666 -3.647 191 H ARG 6 H ARG 6 6.004 -8.823 -1.016 192 HA ARG 6 HA ARG 6 4.839 -9.180 -3.647 193 1HB ARG 6 1HB ARG 6 5.504 -10.699 -1.249 194 2HB ARG 6 2HB ARG 6 3.935 -11.180 -1.902 195 1HG ARG 6 1HG ARG 6 4.974 -12.356 -3.521 196 2HG ARG 6 2HG ARG 6 5.731 -10.876 -4.108 197 1HD ARG 6 1HD ARG 6 7.602 -12.206 -3.584 198 2HD ARG 6 2HD ARG 6 7.391 -11.280 -2.084 199 HE ARG 6 HE ARG 6 5.727 -13.465 -1.739 200 1HH1 ARG 6 1HH1 ARG 6 9.074 -13.019 -2.539 201 2HH1 ARG 6 2HH1 ARG 6 9.569 -14.505 -1.801 202 1HH2 ARG 6 1HH2 ARG 6 6.381 -15.393 -0.784 203 2HH2 ARG 6 2HH2 ARG 6 8.053 -15.842 -0.813 204 H ARG 7 H ARG 7 3.564 -8.969 -0.314 205 HA ARG 7 HA ARG 7 0.835 -9.283 -1.009 206 1HB ARG 7 1HB ARG 7 1.609 -9.415 1.280 207 2HB ARG 7 2HB ARG 7 2.234 -7.766 1.217 208 1HG ARG 7 1HG ARG 7 -0.168 -7.013 0.744 209 2HG ARG 7 2HG ARG 7 -0.665 -8.649 1.171 210 1HD ARG 7 1HD ARG 7 -0.271 -8.316 3.398 211 2HD ARG 7 2HD ARG 7 1.147 -7.297 3.105 212 HE ARG 7 HE ARG 7 -0.297 -5.425 3.046 213 1HH1 ARG 7 1HH1 ARG 7 -2.078 -8.369 2.648 214 2HH1 ARG 7 2HH1 ARG 7 -3.613 -7.574 2.707 215 1HH2 ARG 7 1HH2 ARG 7 -2.260 -4.405 3.123 216 2HH2 ARG 7 2HH2 ARG 7 -3.717 -5.326 2.976 217 H ARG 8 H ARG 8 2.963 -6.484 -1.063 218 HA ARG 8 HA ARG 8 1.104 -4.364 -1.382 219 1HB ARG 8 1HB ARG 8 3.845 -4.758 -1.405 220 2HB ARG 8 2HB ARG 8 3.540 -4.338 -3.083 221 1HG ARG 8 1HG ARG 8 4.051 -2.357 -1.641 222 2HG ARG 8 2HG ARG 8 2.485 -2.256 -2.438 223 1HD ARG 8 1HD ARG 8 2.740 -1.718 0.170 224 2HD ARG 8 2HD ARG 8 1.306 -2.550 -0.449 225 HE ARG 8 HE ARG 8 3.480 -4.384 0.216 226 1HH1 ARG 8 1HH1 ARG 8 0.747 -2.620 1.409 227 2HH1 ARG 8 2HH1 ARG 8 0.477 -3.700 2.728 228 1HH2 ARG 8 1HH2 ARG 8 3.122 -5.778 1.926 229 2HH2 ARG 8 2HH2 ARG 8 1.815 -5.481 3.022 230 H GLU 9 H GLU 9 2.445 -6.627 -3.755 231 HA GLU 9 HA GLU 9 1.207 -5.464 -6.064 232 1HB GLU 9 1HB GLU 9 1.819 -8.378 -5.428 233 2HB GLU 9 2HB GLU 9 1.618 -7.697 -7.043 234 1HG GLU 9 1HG GLU 9 3.536 -6.041 -6.005 235 2HG GLU 9 2HG GLU 9 3.940 -7.570 -5.222 236 H ARG 10 H ARG 10 0.125 -7.566 -3.502 237 HA ARG 10 HA ARG 10 -2.484 -8.129 -4.677 238 1HB ARG 10 1HB ARG 10 -0.854 -8.903 -2.417 239 2HB ARG 10 2HB ARG 10 -2.468 -8.467 -1.858 240 1HG ARG 10 1HG ARG 10 -3.457 -10.236 -2.919 241 2HG ARG 10 2HG ARG 10 -2.364 -10.147 -4.301 242 1HD ARG 10 1HD ARG 10 -0.540 -11.019 -2.673 243 2HD ARG 10 2HD ARG 10 -1.900 -11.481 -1.629 244 HE ARG 10 HE ARG 10 -2.634 -12.407 -4.144 245 1HH1 ARG 10 1HH1 ARG 10 0.096 -12.814 -2.038 246 2HH1 ARG 10 2HH1 ARG 10 0.443 -14.412 -2.606 247 1HH2 ARG 10 1HH2 ARG 10 -2.172 -14.484 -4.874 248 2HH2 ARG 10 2HH2 ARG 10 -0.832 -15.353 -4.203 249 H ARG 11 H ARG 11 -0.981 -5.499 -3.075 250 HA ARG 11 HA ARG 11 -3.559 -4.412 -2.088 251 1HB ARG 11 1HB ARG 11 -0.670 -3.503 -1.911 252 2HB ARG 11 2HB ARG 11 -2.034 -2.664 -1.172 253 1HG ARG 11 1HG ARG 11 -1.082 -5.481 -0.540 254 2HG ARG 11 2HG ARG 11 -0.984 -4.090 0.519 255 1HD ARG 11 1HD ARG 11 -3.105 -4.443 1.248 256 2HD ARG 11 2HD ARG 11 -3.720 -4.481 -0.406 257 HE ARG 11 HE ARG 11 -2.205 -6.875 0.291 258 1HH1 ARG 11 1HH1 ARG 11 -5.306 -5.306 0.369 259 2HH1 ARG 11 2HH1 ARG 11 -6.186 -6.792 0.445 260 1HH2 ARG 11 1HH2 ARG 11 -3.366 -8.798 0.390 261 2HH2 ARG 11 2HH2 ARG 11 -5.096 -8.760 0.457 262 H ALA 12 H ALA 12 -2.029 -4.529 -5.027 263 HA ALA 12 HA ALA 12 -1.909 -1.827 -5.941 264 1HB ALA 12 1HB ALA 12 -1.240 -3.952 -7.155 265 2HB ALA 12 2HB ALA 12 -2.952 -4.275 -7.428 266 3HB ALA 12 3HB ALA 12 -2.198 -2.852 -8.145 267 H GLU 13 H GLU 13 -4.607 -3.926 -5.189 268 HA GLU 13 HA GLU 13 -6.654 -2.282 -6.455 269 1HB GLU 13 1HB GLU 13 -6.698 -4.443 -4.316 270 2HB GLU 13 2HB GLU 13 -8.137 -3.794 -5.103 271 1HG GLU 13 1HG GLU 13 -7.827 -5.101 -6.914 272 2HG GLU 13 2HG GLU 13 -6.148 -4.583 -7.071 273 H LYS 14 H LYS 14 -5.111 -2.548 -3.276 274 HA LYS 14 HA LYS 14 -6.921 -0.624 -1.998 275 1HB LYS 14 1HB LYS 14 -4.176 -1.735 -1.268 276 2HB LYS 14 2HB LYS 14 -5.247 -0.867 -0.163 277 1HG LYS 14 1HG LYS 14 -6.059 -3.410 -1.590 278 2HG LYS 14 2HG LYS 14 -5.331 -3.398 0.016 279 1HD LYS 14 1HD LYS 14 -7.175 -2.366 0.997 280 2HD LYS 14 2HD LYS 14 -7.716 -1.656 -0.526 281 1HE LYS 14 1HE LYS 14 -8.468 -3.818 -1.342 282 2HE LYS 14 2HE LYS 14 -7.771 -4.637 0.070 283 1HZ LYS 14 1HZ LYS 14 -9.180 -3.196 1.480 284 2HZ LYS 14 2HZ LYS 14 -9.935 -2.601 0.083 285 3HZ LYS 14 3HZ LYS 14 -10.083 -4.243 0.492 286 H GLN 15 H GLN 15 -3.793 -0.709 -3.537 287 HA GLN 15 HA GLN 15 -2.946 1.989 -3.032 288 1HB GLN 15 1HB GLN 15 -2.184 -0.431 -4.482 289 2HB GLN 15 2HB GLN 15 -1.794 1.007 -5.410 290 1HG GLN 15 1HG GLN 15 -0.287 1.784 -3.823 291 2HG GLN 15 2HG GLN 15 -1.121 0.970 -2.499 292 1HE2 GLN 15 2HE2 GLN 15 -1.063 -1.540 -2.669 293 2HE2 GLN 15 1HE2 GLN 15 0.404 -2.230 -3.180 294 H ALA 16 H ALA 16 -4.399 0.404 -5.883 295 HA ALA 16 HA ALA 16 -4.606 2.808 -7.457 296 1HB ALA 16 1HB ALA 16 -6.131 0.176 -7.463 297 2HB ALA 16 2HB ALA 16 -6.230 1.373 -8.754 298 3HB ALA 16 3HB ALA 16 -4.700 0.562 -8.419 299 H GLN 17 H GLN 17 -6.604 1.407 -4.923 300 HA GLN 17 HA GLN 17 -8.922 3.116 -5.498 301 1HB GLN 17 1HB GLN 17 -8.009 1.247 -3.303 302 2HB GLN 17 2HB GLN 17 -9.464 2.219 -3.104 303 1HG GLN 17 1HG GLN 17 -10.501 1.211 -5.016 304 2HG GLN 17 2HG GLN 17 -8.998 0.422 -5.492 305 1HE2 GLN 17 2HE2 GLN 17 -9.763 -1.765 -5.278 306 2HE2 GLN 17 1HE2 GLN 17 -10.202 -2.434 -3.781 307 H TRP 18 H TRP 18 -6.132 3.071 -3.381 308 HA TRP 18 HA TRP 18 -6.821 5.494 -1.910 309 1HB TRP 18 1HB TRP 18 -5.377 3.743 -0.977 310 2HB TRP 18 2HB TRP 18 -4.288 3.875 -2.343 311 HD1 TRP 18 HD1 TRP 18 -5.095 5.545 0.953 312 HE1 TRP 18 HE1 TRP 18 -3.427 7.488 1.317 313 HE3 TRP 18 HE3 TRP 18 -2.856 5.622 -3.561 314 HZ2 TRP 18 HZ2 TRP 18 -1.383 8.868 -0.144 315 HZ3 TRP 18 HZ3 TRP 18 -1.079 7.204 -4.072 316 HH2 TRP 18 HH2 TRP 18 -0.318 8.813 -2.392 317 H LYS 19 H LYS 19 -4.578 4.604 -4.484 318 HA LYS 19 HA LYS 19 -3.399 7.146 -4.960 319 1HB LYS 19 1HB LYS 19 -3.903 4.674 -6.634 320 2HB LYS 19 2HB LYS 19 -3.031 6.062 -7.265 321 1HG LYS 19 1HG LYS 19 -1.418 5.885 -5.384 322 2HG LYS 19 2HG LYS 19 -2.252 4.430 -4.841 323 1HD LYS 19 1HD LYS 19 -0.531 3.539 -6.147 324 2HD LYS 19 2HD LYS 19 -1.867 3.610 -7.297 325 1HE LYS 19 1HE LYS 19 -1.028 5.709 -8.220 326 2HE LYS 19 2HE LYS 19 0.257 5.764 -6.997 327 1HZ LYS 19 1HZ LYS 19 1.042 3.609 -7.797 328 2HZ LYS 19 2HZ LYS 19 -0.153 3.606 -9.001 329 3HZ LYS 19 3HZ LYS 19 1.083 4.771 -9.037 330 H ALA 20 H ALA 20 -6.351 5.607 -6.122 331 HA ALA 20 HA ALA 20 -7.002 7.482 -8.149 332 1HB ALA 20 1HB ALA 20 -8.347 5.450 -6.479 333 2HB ALA 20 2HB ALA 20 -9.407 6.671 -7.179 334 3HB ALA 20 3HB ALA 20 -8.399 5.673 -8.228 335 H ALA 21 H ALA 21 -7.324 7.576 -4.657 336 HA ALA 21 HA ALA 21 -8.541 10.296 -4.883 337 1HB ALA 21 1HB ALA 21 -8.871 8.072 -2.857 338 2HB ALA 21 2HB ALA 21 -9.500 9.699 -2.602 339 3HB ALA 21 3HB ALA 21 -10.106 8.719 -3.936 340 H ASN 22 H ASN 22 -5.700 9.455 -4.790 341 HA ASN 22 HA ASN 22 -4.844 11.355 -2.705 342 1HB ASN 22 1HB ASN 22 -4.046 8.433 -2.700 343 2HB ASN 22 2HB ASN 22 -3.273 9.677 -1.724 344 1HD2 ASN 22 2HD2 ASN 22 -5.532 7.308 -1.497 345 2HD2 ASN 22 1HD2 ASN 22 -6.523 7.950 -0.278 346 HA PRO 23 HA PRO 23 -2.165 10.858 -6.563 347 1HB PRO 23 1HB PRO 23 -2.945 13.144 -7.861 348 2HB PRO 23 2HB PRO 23 -3.715 11.569 -8.146 349 1HG PRO 23 1HG PRO 23 -4.636 13.853 -6.477 350 2HG PRO 23 2HG PRO 23 -5.572 12.750 -7.500 351 1HD PRO 23 1HD PRO 23 -5.417 12.525 -4.784 352 2HD PRO 23 2HD PRO 23 -5.716 11.148 -5.857 353 H LEU 24 H LEU 24 -3.265 13.434 -4.475 354 HA LEU 24 HA LEU 24 -1.125 15.294 -4.678 355 1HB LEU 24 1HB LEU 24 -2.124 16.193 -2.759 356 2HB LEU 24 2HB LEU 24 -3.434 15.162 -3.324 357 HG LEU 24 HG LEU 24 -1.362 14.194 -1.329 358 1HD1 LEU 24 1HD1 LEU 24 -3.852 15.813 -0.936 359 2HD1 LEU 24 2HD1 LEU 24 -3.416 14.600 0.268 360 3HD1 LEU 24 3HD1 LEU 24 -2.304 15.920 -0.097 361 1HD2 LEU 24 1HD2 LEU 24 -3.318 12.835 -2.770 362 2HD2 LEU 24 2HD2 LEU 24 -2.581 12.268 -1.273 363 3HD2 LEU 24 3HD2 LEU 24 -4.108 13.149 -1.228 364 H LEU 25 H LEU 25 -1.430 12.242 -2.977 365 HA LEU 25 HA LEU 25 1.346 12.445 -1.929 366 1HB LEU 25 1HB LEU 25 -1.168 10.928 -1.340 367 2HB LEU 25 2HB LEU 25 0.358 10.119 -0.975 368 HG LEU 25 HG LEU 25 -0.048 12.955 -0.073 369 1HD1 LEU 25 1HD1 LEU 25 -1.539 10.588 0.851 370 2HD1 LEU 25 2HD1 LEU 25 -0.707 11.455 2.142 371 3HD1 LEU 25 3HD1 LEU 25 -1.868 12.299 1.118 372 1HD2 LEU 25 1HD2 LEU 25 1.439 10.559 1.053 373 2HD2 LEU 25 2HD2 LEU 25 2.164 11.880 0.136 374 3HD2 LEU 25 3HD2 LEU 25 1.468 12.189 1.726 375 H VAL 26 H VAL 26 0.583 12.169 -4.712 376 HA VAL 26 HA VAL 26 2.093 9.721 -5.401 377 HB VAL 26 HB VAL 26 -0.796 10.163 -5.555 378 1HG1 VAL 26 1HG1 VAL 26 0.697 9.645 -8.141 379 2HG1 VAL 26 2HG1 VAL 26 -0.975 9.140 -7.896 380 3HG1 VAL 26 3HG1 VAL 26 -0.552 10.852 -7.822 381 1HG2 VAL 26 1HG2 VAL 26 0.348 8.170 -4.653 382 2HG2 VAL 26 2HG2 VAL 26 -0.745 7.731 -5.967 383 3HG2 VAL 26 3HG2 VAL 26 0.997 7.813 -6.255 384 H GLY 27 H GLY 27 3.694 10.583 -6.666 385 1HA GLY 27 1HA GLY 27 4.667 11.755 -8.480 386 2HA GLY 27 2HA GLY 27 3.036 12.163 -9.025 387 H VAL 28 H VAL 28 1.899 13.661 -7.199 388 HA VAL 28 HA VAL 28 3.177 16.201 -7.259 389 HB VAL 28 HB VAL 28 1.014 15.027 -5.489 390 1HG1 VAL 28 1HG1 VAL 28 2.396 17.511 -5.228 391 2HG1 VAL 28 2HG1 VAL 28 0.788 17.868 -5.863 392 3HG1 VAL 28 3HG1 VAL 28 0.961 16.972 -4.354 393 1HG2 VAL 28 1HG2 VAL 28 1.104 16.373 -8.170 394 2HG2 VAL 28 2HG2 VAL 28 0.152 14.982 -7.652 395 3HG2 VAL 28 3HG2 VAL 28 -0.313 16.606 -7.148 396 H SER 29 H SER 29 4.395 17.302 -5.683 397 HA SER 29 HA SER 29 5.978 17.482 -3.945 398 1HB SER 29 1HB SER 29 3.912 15.723 -2.596 399 2HB SER 29 2HB SER 29 5.041 16.812 -1.794 400 HG SER 29 HG SER 29 2.748 17.521 -2.325 401 H ALA 30 H ALA 30 6.918 15.813 -2.024 402 HA ALA 30 HA ALA 30 8.437 14.027 -1.714 403 1HB ALA 30 1HB ALA 30 6.255 12.758 -3.401 404 2HB ALA 30 2HB ALA 30 7.464 11.853 -2.489 405 3HB ALA 30 3HB ALA 30 6.290 12.859 -1.640 406 H LYS 31 H LYS 31 9.644 15.569 -3.474 407 HA LYS 31 HA LYS 31 10.547 13.713 -5.641 408 1HB LYS 31 1HB LYS 31 9.560 16.554 -5.764 409 2HB LYS 31 2HB LYS 31 10.717 15.979 -6.966 410 1HG LYS 31 1HG LYS 31 8.645 14.006 -6.625 411 2HG LYS 31 2HG LYS 31 7.907 15.576 -6.942 412 1HD LYS 31 1HD LYS 31 8.313 14.579 -9.084 413 2HD LYS 31 2HD LYS 31 9.544 15.825 -8.874 414 1HE LYS 31 1HE LYS 31 10.804 13.966 -9.616 415 2HE LYS 31 2HE LYS 31 10.969 13.859 -7.852 416 1HZ LYS 31 1HZ LYS 31 8.990 12.430 -7.822 417 2HZ LYS 31 2HZ LYS 31 8.942 12.464 -9.520 418 3HZ LYS 31 3HZ LYS 31 10.253 11.737 -8.718 419 HA PRO 32 HA PRO 32 14.060 15.606 -3.292 420 1HB PRO 32 1HB PRO 32 15.203 13.275 -2.447 421 2HB PRO 32 2HB PRO 32 13.925 14.105 -1.539 422 1HG PRO 32 1HG PRO 32 13.774 11.679 -3.220 423 2HG PRO 32 2HG PRO 32 12.827 12.132 -1.798 424 1HD PRO 32 1HD PRO 32 11.987 12.310 -4.454 425 2HD PRO 32 2HD PRO 32 11.219 13.102 -3.064 426 H VAL 33 H VAL 33 15.790 16.114 -4.589 427 HA VAL 33 HA VAL 33 16.814 14.018 -6.476 428 HB VAL 33 HB VAL 33 17.121 15.869 -8.102 429 1HG1 VAL 33 1HG1 VAL 33 14.446 15.205 -6.950 430 2HG1 VAL 33 2HG1 VAL 33 14.528 16.491 -8.154 431 3HG1 VAL 33 3HG1 VAL 33 15.092 14.868 -8.555 432 1HG2 VAL 33 1HG2 VAL 33 15.904 17.498 -5.858 433 2HG2 VAL 33 2HG2 VAL 33 17.444 17.766 -6.673 434 3HG2 VAL 33 3HG2 VAL 33 15.930 18.054 -7.531 435 H ASN 34 H ASN 34 18.945 13.600 -6.059 436 HA ASN 34 HA ASN 34 20.738 15.833 -5.255 437 1HB ASN 34 1HB ASN 34 19.992 13.391 -3.658 438 2HB ASN 34 2HB ASN 34 21.571 14.144 -3.433 439 1HD2 ASN 34 2HD2 ASN 34 21.659 16.058 -2.187 440 2HD2 ASN 34 1HD2 ASN 34 20.288 16.855 -1.581 441 H ARG 35 H ARG 35 20.853 14.721 -7.732 442 HA ARG 35 HA ARG 35 22.571 12.375 -7.883 443 1HB ARG 35 1HB ARG 35 21.205 14.298 -9.650 444 2HB ARG 35 2HB ARG 35 22.717 13.674 -10.307 445 1HG ARG 35 1HG ARG 35 21.902 11.552 -10.526 446 2HG ARG 35 2HG ARG 35 20.949 11.658 -9.045 447 1HD ARG 35 1HD ARG 35 19.164 11.804 -10.470 448 2HD ARG 35 2HD ARG 35 19.679 13.491 -10.675 449 HE ARG 35 HE ARG 35 20.481 12.916 -12.817 450 1HH1 ARG 35 1HH1 ARG 35 20.131 10.097 -10.823 451 2HH1 ARG 35 2HH1 ARG 35 20.537 8.999 -12.098 452 1HH2 ARG 35 1HH2 ARG 35 21.009 11.480 -14.468 453 2HH2 ARG 35 2HH2 ARG 35 21.032 9.778 -14.152 454 HA PRO 36 HA PRO 36 25.968 15.555 -8.926 455 1HB PRO 36 1HB PRO 36 25.428 18.221 -8.649 456 2HB PRO 36 2HB PRO 36 25.131 17.328 -10.153 457 1HG PRO 36 1HG PRO 36 23.219 18.181 -8.050 458 2HG PRO 36 2HG PRO 36 23.004 18.089 -9.804 459 1HD PRO 36 1HD PRO 36 22.042 16.235 -8.020 460 2HD PRO 36 2HD PRO 36 22.373 15.903 -9.733 Start of MODEL 21 1 1H5* G 1 1H5* G 1 12.397 -14.859 2.061 2 2H5* G 1 2H5* G 1 13.426 -15.009 3.503 3 H4* G 1 H4* G 1 12.121 -17.531 2.917 4 H3* G 1 H3* G 1 10.353 -15.075 3.131 5 H2* G 1 H2* G 1 8.910 -16.233 4.604 6 2HO* G 1 2HO* G 1 10.127 -18.709 4.435 7 H1* G 1 H1* G 1 10.884 -17.664 5.939 8 H8 G 1 H8 G 1 11.932 -14.077 5.494 9 H1 G 1 H1 G 1 7.607 -14.949 10.162 10 1H2 G 1 1H2 G 1 6.861 -17.023 10.131 11 2H2 G 1 2H2 G 1 7.286 -18.142 8.856 12 1H5* C 2 1H5* C 2 7.356 -18.383 2.865 13 2H5* C 2 2H5* C 2 6.642 -17.945 1.296 14 H4* C 2 H4* C 2 4.842 -18.308 2.869 15 H3* C 2 H3* C 2 5.380 -15.378 2.279 16 H2* C 2 H2* C 2 3.621 -14.781 3.721 17 2HO* C 2 2HO* C 2 2.001 -16.135 3.050 18 H1* C 2 H1* C 2 4.031 -16.834 5.588 19 1H4 C 2 1H4 C 2 6.476 -11.748 8.445 20 2H4 C 2 2H4 C 2 7.802 -11.678 7.310 21 H5 C 2 H5 C 2 7.997 -13.210 5.433 22 H6 C 2 H6 C 2 6.947 -15.043 4.241 23 1H5* C 3 1H5* C 3 0.471 -13.686 1.462 24 2H5* C 3 2H5* C 3 2.081 -13.173 2.013 25 H4* C 3 H4* C 3 0.176 -14.744 3.762 26 H3* C 3 H3* C 3 0.433 -11.750 3.400 27 H2* C 3 H2* C 3 0.241 -11.441 5.729 28 2HO* C 3 2HO* C 3 -1.448 -12.669 6.325 29 H1* C 3 H1* C 3 1.670 -13.713 6.485 30 1H4 C 3 1H4 C 3 5.612 -8.712 6.999 31 2H4 C 3 2H4 C 3 6.114 -8.949 5.340 32 H5 C 3 H5 C 3 5.208 -10.719 3.948 33 H6 C 3 H6 C 3 3.513 -12.461 3.783 34 1H5* C 4 1H5* C 4 -3.299 -11.767 5.610 35 2H5* C 4 2H5* C 4 -4.331 -10.561 4.810 36 H4* C 4 H4* C 4 -3.870 -10.022 7.201 37 H3* C 4 H3* C 4 -2.710 -8.113 5.136 38 H2* C 4 H2* C 4 -1.958 -6.762 6.883 39 2HO* C 4 2HO* C 4 -2.947 -6.579 8.728 40 H1* C 4 H1* C 4 -1.322 -8.878 8.615 41 1H4 C 4 1H4 C 4 3.820 -6.339 5.647 42 2H4 C 4 2H4 C 4 4.215 -8.008 5.318 43 H5 C 4 H5 C 4 1.906 -8.965 4.408 44 H6 C 4 H6 C 4 -0.226 -9.587 5.275 45 1H5* U 5 1H5* U 5 -5.032 -4.832 6.257 46 2H5* U 5 2H5* U 5 -3.659 -5.931 6.376 47 H4* U 5 H4* U 5 -4.138 -4.214 8.753 48 H3* U 5 H3* U 5 -3.169 -3.108 6.086 49 H2* U 5 H2* U 5 -1.583 -1.826 7.261 50 2HO* U 5 2HO* U 5 -1.904 -2.021 9.764 51 H1* U 5 H1* U 5 -1.145 -3.728 9.293 52 H3 U 5 H3 U 5 2.692 -2.636 7.022 53 H5 U 5 H5 U 5 0.902 -5.697 4.803 54 H6 U 5 H6 U 5 -1.067 -5.389 6.137 55 1H5* G 6 1H5* G 6 -2.432 -0.539 7.005 56 2H5* G 6 2H5* G 6 -2.741 0.928 7.947 57 H4* G 6 H4* G 6 -2.484 2.305 6.014 58 H3* G 6 H3* G 6 -2.476 -0.302 4.453 59 H2* G 6 H2* G 6 -1.105 0.734 2.849 60 2HO* G 6 2HO* G 6 -1.948 2.718 2.502 61 H1* G 6 H1* G 6 0.459 2.108 4.690 62 H8 G 6 H8 G 6 -0.789 -1.525 5.051 63 H1 G 6 H1 G 6 5.143 -0.896 2.669 64 1H2 G 6 1H2 G 6 5.446 1.275 2.065 65 2H2 G 6 2H2 G 6 4.715 2.451 3.141 66 1H5* A 7 1H5* A 7 -4.674 2.082 0.908 67 2H5* A 7 2H5* A 7 -3.413 1.179 1.754 68 H4* A 7 H4* A 7 -3.126 2.266 -0.725 69 H3* A 7 H3* A 7 -0.975 1.915 1.398 70 H2* A 7 H2* A 7 0.529 3.044 -0.042 71 2HO* A 7 2HO* A 7 -0.667 3.461 -2.284 72 H1* A 7 H1* A 7 -1.379 4.729 -1.163 73 H8 A 7 H8 A 7 -1.572 4.791 2.588 74 1H6 A 7 1H6 A 7 3.266 8.233 2.865 75 2H6 A 7 2H6 A 7 1.640 8.832 3.109 76 H2 A 7 H2 A 7 2.615 7.209 -1.637 77 1H5* A 8 1H5* A 8 0.903 0.884 -1.972 78 2H5* A 8 2H5* A 8 2.082 -0.425 -1.740 79 H4* A 8 H4* A 8 3.136 1.732 -2.388 80 H3* A 8 H3* A 8 3.695 0.638 0.394 81 H2* A 8 H2* A 8 5.139 2.454 0.835 82 2HO* A 8 2HO* A 8 5.847 3.845 -0.805 83 H1* A 8 H1* A 8 3.597 4.366 -0.498 84 H8 A 8 H8 A 8 1.292 2.182 1.495 85 1H6 A 8 1H6 A 8 2.734 5.609 6.454 86 2H6 A 8 2H6 A 8 1.689 4.352 5.832 87 H2 A 8 H2 A 8 5.616 6.634 3.176 88 1H5* A 9 2H5* A 9 7.951 -1.398 -2.480 89 2H5* A 9 1H5* A 9 7.090 -0.324 -1.357 90 H4* A 9 H4* A 9 9.286 0.347 -2.945 91 H3* A 9 H3* A 9 7.202 1.997 -1.495 92 H2* A 9 H2* A 9 8.087 3.957 -2.471 93 2HO* A 9 2HO* A 9 10.331 2.354 -3.132 94 H1* A 9 H1* A 9 8.622 2.822 -4.965 95 H8 A 9 H8 A 9 6.392 4.502 -2.689 96 1H6 A 9 1H6 A 9 2.110 4.695 -7.025 97 2H6 A 9 2H6 A 9 2.133 4.594 -5.279 98 H2 A 9 H2 A 9 5.060 1.411 -8.153 99 1H5* A 10 1H5* A 10 9.961 0.902 3.473 100 2H5* A 10 2H5* A 10 8.280 1.349 3.141 101 H4* A 10 H4* A 10 10.353 3.514 3.301 102 H3* A 10 H3* A 10 9.180 1.960 5.608 103 H2* A 10 H2* A 10 8.777 3.932 6.817 104 2HO* A 10 2HO* A 10 9.725 5.897 6.287 105 H1* A 10 H1* A 10 8.026 5.515 4.654 106 H8 A 10 H8 A 10 6.189 2.632 3.714 107 1H6 A 10 1H6 A 10 2.514 2.646 6.931 108 2H6 A 10 2H6 A 10 2.354 3.299 8.546 109 H2 A 10 H2 A 10 5.942 5.902 9.236 110 1H5* A 11 1H5* A 11 10.331 4.689 8.751 111 2H5* A 11 2H5* A 11 11.068 3.405 9.737 112 H4* A 11 H4* A 11 8.710 4.321 10.390 113 H3* A 11 H3* A 11 9.439 1.389 10.182 114 H2* A 11 H2* A 11 7.234 0.792 10.739 115 2HO* A 11 2HO* A 11 6.582 3.461 11.387 116 H1* A 11 H1* A 11 5.964 2.858 9.377 117 H8 A 11 H8 A 11 8.708 1.322 7.269 118 1H6 A 11 1H6 A 11 4.916 -3.235 5.910 119 2H6 A 11 2H6 A 11 5.697 -2.034 4.913 120 H2 A 11 H2 A 11 2.778 -0.544 8.916 121 1H5* G 12 1H5* G 12 8.866 -1.586 13.449 122 2H5* G 12 2H5* G 12 8.828 -0.783 11.869 123 H4* G 12 H4* G 12 6.645 0.091 13.602 124 H3* G 12 H3* G 12 6.947 -2.860 12.997 125 H2* G 12 H2* G 12 4.667 -2.991 12.416 126 2HO* G 12 2HO* G 12 3.281 -1.912 13.540 127 H1* G 12 H1* G 12 4.511 -0.491 11.177 128 H8 G 12 H8 G 12 7.500 -1.453 9.576 129 H1 G 12 H1 G 12 2.857 -5.611 8.024 130 1H2 G 12 1H2 G 12 1.020 -5.124 9.276 131 2H2 G 12 2H2 G 12 1.354 -4.641 10.924 132 1H5* G 13 1H5* G 13 4.265 -3.427 16.326 133 2H5* G 13 2H5* G 13 4.936 -4.658 17.413 134 H4* G 13 H4* G 13 2.766 -5.346 16.470 135 H3* G 13 H3* G 13 5.195 -6.853 15.451 136 H2* G 13 H2* G 13 3.811 -8.173 14.133 137 2HO* G 13 2HO* G 13 1.379 -7.226 15.039 138 H1* G 13 H1* G 13 1.964 -6.177 13.491 139 H8 G 13 H8 G 13 5.308 -4.707 12.889 140 H1 G 13 H1 G 13 3.712 -9.148 8.526 141 1H2 G 13 1H2 G 13 1.626 -9.956 9.114 142 2H2 G 13 2H2 G 13 1.519 -10.293 10.828 143 1H5* G 14 1H5* G 14 0.183 -8.970 16.429 144 2H5* G 14 2H5* G 14 0.443 -9.857 17.947 145 H4* G 14 H4* G 14 -0.269 -11.506 16.394 146 H3* G 14 H3* G 14 2.760 -11.536 16.490 147 H2* G 14 H2* G 14 2.681 -13.372 14.985 148 2HO* G 14 2HO* G 14 -0.070 -13.494 15.664 149 H1* G 14 H1* G 14 0.573 -12.362 13.460 150 H8 G 14 H8 G 14 3.291 -9.871 14.483 151 H1 G 14 H1 G 14 4.482 -13.122 9.061 152 1H2 G 14 1H2 G 14 2.713 -14.470 8.643 153 2H2 G 14 2H2 G 14 1.918 -15.160 10.041 154 1H5* C 15 1H5* C 15 1.196 -15.380 16.383 155 2H5* C 15 2H5* C 15 1.927 -16.375 17.663 156 H4* C 15 H4* C 15 2.109 -17.594 15.581 157 H3* C 15 H3* C 15 4.727 -16.327 16.445 158 H2* C 15 H2* C 15 5.764 -17.337 14.583 159 2HO* C 15 2HO* C 15 4.764 -19.031 13.428 160 H1* C 15 H1* C 15 3.519 -17.140 12.887 161 1H4 C 15 1H4 C 15 7.517 -12.709 10.782 162 2H4 C 15 2H4 C 15 7.533 -11.893 12.335 163 H5 C 15 H5 C 15 5.809 -12.435 14.009 164 H6 C 15 H6 C 15 4.315 -14.156 14.796 165 2H ASP 2 2H ASP 2 9.747 -10.137 -2.339 166 1H ASP 2 1H ASP 2 9.516 -11.740 -2.842 167 3H ASP 2 3H ASP 2 11.032 -11.245 -2.258 168 HA ASP 2 HA ASP 2 10.147 -12.365 -0.432 169 1HB ASP 2 1HB ASP 2 9.228 -9.494 -0.122 170 2HB ASP 2 2HB ASP 2 9.813 -10.569 1.146 171 H ALA 3 H ALA 3 8.065 -11.586 1.236 172 HA ALA 3 HA ALA 3 5.704 -12.595 -0.279 173 1HB ALA 3 1HB ALA 3 6.367 -12.364 2.674 174 2HB ALA 3 2HB ALA 3 4.884 -13.076 2.040 175 3HB ALA 3 3HB ALA 3 6.440 -13.834 1.703 176 H GLN 4 H GLN 4 6.645 -10.016 1.981 177 HA GLN 4 HA GLN 4 4.085 -8.687 1.936 178 1HB GLN 4 1HB GLN 4 5.918 -8.432 3.650 179 2HB GLN 4 2HB GLN 4 6.864 -7.567 2.442 180 1HG GLN 4 1HG GLN 4 5.029 -5.915 2.215 181 2HG GLN 4 2HG GLN 4 4.145 -6.748 3.496 182 1HE2 GLN 4 2HE2 GLN 4 5.709 -4.007 3.173 183 2HE2 GLN 4 1HE2 GLN 4 6.556 -3.912 4.641 184 H THR 5 H THR 5 7.173 -7.925 0.333 185 HA THR 5 HA THR 5 6.332 -5.801 -1.312 186 HB THR 5 HB THR 5 8.168 -8.141 -1.956 187 HG1 THR 5 HG1 THR 5 8.972 -7.177 -0.191 188 1HG2 THR 5 1HG2 THR 5 7.540 -5.569 -3.310 189 2HG2 THR 5 2HG2 THR 5 9.234 -6.060 -3.269 190 3HG2 THR 5 3HG2 THR 5 8.026 -7.117 -4.002 191 H ARG 6 H ARG 6 5.843 -9.270 -1.599 192 HA ARG 6 HA ARG 6 4.581 -9.253 -4.220 193 1HB ARG 6 1HB ARG 6 5.271 -11.081 -2.063 194 2HB ARG 6 2HB ARG 6 3.635 -11.396 -2.651 195 1HG ARG 6 1HG ARG 6 4.921 -11.090 -5.019 196 2HG ARG 6 2HG ARG 6 6.248 -11.722 -4.042 197 1HD ARG 6 1HD ARG 6 3.508 -13.020 -4.281 198 2HD ARG 6 2HD ARG 6 4.977 -13.571 -5.113 199 HE ARG 6 HE ARG 6 5.776 -13.390 -2.476 200 1HH1 ARG 6 1HH1 ARG 6 3.147 -14.949 -4.125 201 2HH1 ARG 6 2HH1 ARG 6 3.040 -16.238 -2.975 202 1HH2 ARG 6 1HH2 ARG 6 5.627 -15.066 -0.993 203 2HH2 ARG 6 2HH2 ARG 6 4.437 -16.305 -1.210 204 H ARG 7 H ARG 7 3.478 -9.355 -0.842 205 HA ARG 7 HA ARG 7 0.705 -9.471 -1.348 206 1HB ARG 7 1HB ARG 7 1.608 -9.854 0.843 207 2HB ARG 7 2HB ARG 7 2.398 -8.279 0.861 208 1HG ARG 7 1HG ARG 7 -0.006 -7.304 0.643 209 2HG ARG 7 2HG ARG 7 -0.537 -8.907 1.152 210 1HD ARG 7 1HD ARG 7 0.429 -8.696 3.264 211 2HD ARG 7 2HD ARG 7 1.598 -7.481 2.725 212 HE ARG 7 HE ARG 7 -0.055 -5.835 3.077 213 1HH1 ARG 7 1HH1 ARG 7 -1.463 -8.995 2.842 214 2HH1 ARG 7 2HH1 ARG 7 -3.054 -8.448 3.238 215 1HH2 ARG 7 1HH2 ARG 7 -2.132 -5.131 3.594 216 2HH2 ARG 7 2HH2 ARG 7 -3.433 -6.272 3.662 217 H ARG 8 H ARG 8 2.954 -6.762 -1.328 218 HA ARG 8 HA ARG 8 1.181 -4.552 -1.305 219 1HB ARG 8 1HB ARG 8 3.845 -4.923 -1.431 220 2HB ARG 8 2HB ARG 8 3.559 -4.643 -3.143 221 1HG ARG 8 1HG ARG 8 4.147 -2.569 -1.844 222 2HG ARG 8 2HG ARG 8 2.621 -2.466 -2.713 223 1HD ARG 8 1HD ARG 8 2.686 -1.637 -0.235 224 2HD ARG 8 2HD ARG 8 1.347 -2.685 -0.727 225 HE ARG 8 HE ARG 8 3.679 -4.161 0.256 226 1HH1 ARG 8 1HH1 ARG 8 0.694 -2.567 1.056 227 2HH1 ARG 8 2HH1 ARG 8 0.468 -3.468 2.512 228 1HH2 ARG 8 1HH2 ARG 8 3.353 -5.317 2.156 229 2HH2 ARG 8 2HH2 ARG 8 1.960 -5.013 3.132 230 H GLU 9 H GLU 9 2.176 -6.668 -3.965 231 HA GLU 9 HA GLU 9 0.756 -5.225 -6.021 232 1HB GLU 9 1HB GLU 9 1.398 -8.191 -5.754 233 2HB GLU 9 2HB GLU 9 1.011 -7.359 -7.260 234 1HG GLU 9 1HG GLU 9 3.071 -5.823 -6.245 235 2HG GLU 9 2HG GLU 9 3.545 -7.455 -5.777 236 H ARG 10 H ARG 10 -0.079 -7.621 -3.624 237 HA ARG 10 HA ARG 10 -2.799 -8.057 -4.553 238 1HB ARG 10 1HB ARG 10 -0.966 -8.956 -2.481 239 2HB ARG 10 2HB ARG 10 -2.556 -8.621 -1.799 240 1HG ARG 10 1HG ARG 10 -3.389 -10.509 -2.698 241 2HG ARG 10 2HG ARG 10 -2.863 -10.016 -4.307 242 1HD ARG 10 1HD ARG 10 -0.471 -10.755 -3.186 243 2HD ARG 10 2HD ARG 10 -1.590 -11.901 -2.421 244 HE ARG 10 HE ARG 10 -1.937 -12.879 -4.540 245 1HH1 ARG 10 2HH1 ARG 10 -0.635 -9.677 -4.845 246 2HH1 ARG 10 1HH1 ARG 10 -0.466 -9.782 -6.564 247 1HH2 ARG 10 1HH2 ARG 10 -1.715 -13.006 -6.774 248 2HH2 ARG 10 2HH2 ARG 10 -1.076 -11.657 -7.652 249 H ARG 11 H ARG 11 -1.112 -5.576 -2.841 250 HA ARG 11 HA ARG 11 -3.566 -4.576 -1.515 251 1HB ARG 11 1HB ARG 11 -0.686 -3.634 -1.653 252 2HB ARG 11 2HB ARG 11 -1.948 -2.853 -0.701 253 1HG ARG 11 1HG ARG 11 -0.994 -5.717 -0.379 254 2HG ARG 11 2HG ARG 11 -0.653 -4.395 0.723 255 1HD ARG 11 1HD ARG 11 -2.619 -4.725 1.784 256 2HD ARG 11 2HD ARG 11 -3.510 -4.583 0.261 257 HE ARG 11 HE ARG 11 -2.103 -7.109 0.411 258 1HH1 ARG 11 1HH1 ARG 11 -4.916 -5.387 1.493 259 2HH1 ARG 11 2HH1 ARG 11 -5.858 -6.823 1.704 260 1HH2 ARG 11 1HH2 ARG 11 -3.334 -8.966 0.688 261 2HH2 ARG 11 2HH2 ARG 11 -4.967 -8.842 1.251 262 H ALA 12 H ALA 12 -2.451 -4.478 -4.639 263 HA ALA 12 HA ALA 12 -2.495 -1.747 -5.426 264 1HB ALA 12 1HB ALA 12 -2.040 -3.766 -6.858 265 2HB ALA 12 2HB ALA 12 -3.761 -4.149 -6.811 266 3HB ALA 12 3HB ALA 12 -3.208 -2.670 -7.595 267 H GLU 13 H GLU 13 -5.053 -3.888 -4.345 268 HA GLU 13 HA GLU 13 -7.283 -2.216 -5.165 269 1HB GLU 13 1HB GLU 13 -6.947 -4.392 -3.068 270 2HB GLU 13 2HB GLU 13 -8.502 -3.741 -3.591 271 1HG GLU 13 1HG GLU 13 -7.971 -4.437 -5.925 272 2HG GLU 13 2HG GLU 13 -6.478 -5.171 -5.340 273 H LYS 14 H LYS 14 -5.244 -2.584 -2.284 274 HA LYS 14 HA LYS 14 -6.727 -0.669 -0.660 275 1HB LYS 14 1HB LYS 14 -3.911 -1.819 -0.562 276 2HB LYS 14 2HB LYS 14 -4.634 -0.863 0.735 277 1HG LYS 14 1HG LYS 14 -5.861 -3.414 -0.347 278 2HG LYS 14 2HG LYS 14 -4.805 -3.362 1.064 279 1HD LYS 14 1HD LYS 14 -6.350 -1.817 2.188 280 2HD LYS 14 2HD LYS 14 -7.403 -1.827 0.773 281 1HE LYS 14 1HE LYS 14 -6.794 -4.543 1.666 282 2HE LYS 14 2HE LYS 14 -7.582 -3.585 2.935 283 1HZ LYS 14 1HZ LYS 14 -8.520 -3.553 0.126 284 2HZ LYS 14 2HZ LYS 14 -9.105 -4.682 1.252 285 3HZ LYS 14 3HZ LYS 14 -9.341 -3.020 1.511 286 H GLN 15 H GLN 15 -3.894 -0.689 -2.718 287 HA GLN 15 HA GLN 15 -2.998 1.998 -2.422 288 1HB GLN 15 1HB GLN 15 -2.651 -0.384 -4.116 289 2HB GLN 15 2HB GLN 15 -2.365 1.107 -4.993 290 1HG GLN 15 1HG GLN 15 -0.530 1.665 -3.719 291 2HG GLN 15 2HG GLN 15 -1.159 0.843 -2.292 292 1HE2 GLN 15 2HE2 GLN 15 -1.295 -1.640 -2.523 293 2HE2 GLN 15 1HE2 GLN 15 -0.013 -2.406 -3.339 294 H ALA 16 H ALA 16 -5.023 0.481 -4.936 295 HA ALA 16 HA ALA 16 -5.601 2.922 -6.343 296 1HB ALA 16 1HB ALA 16 -5.844 0.435 -7.032 297 2HB ALA 16 2HB ALA 16 -7.388 0.483 -6.180 298 3HB ALA 16 3HB ALA 16 -7.111 1.539 -7.564 299 H GLN 17 H GLN 17 -6.916 1.531 -3.400 300 HA GLN 17 HA GLN 17 -9.384 3.140 -3.506 301 1HB GLN 17 1HB GLN 17 -7.999 1.207 -1.689 302 2HB GLN 17 2HB GLN 17 -9.138 2.322 -0.936 303 1HG GLN 17 1HG GLN 17 -10.092 1.030 -3.424 304 2HG GLN 17 2HG GLN 17 -9.873 -0.051 -2.047 305 1HE2 GLN 17 2HE2 GLN 17 -11.171 0.371 -0.100 306 2HE2 GLN 17 1HE2 GLN 17 -12.551 1.356 -0.170 307 H TRP 18 H TRP 18 -6.201 3.215 -2.100 308 HA TRP 18 HA TRP 18 -6.565 5.655 -0.543 309 1HB TRP 18 1HB TRP 18 -4.940 3.923 0.040 310 2HB TRP 18 2HB TRP 18 -4.219 4.025 -1.551 311 HD1 TRP 18 HD1 TRP 18 -4.214 5.762 1.805 312 HE1 TRP 18 HE1 TRP 18 -2.439 7.631 1.758 313 HE3 TRP 18 HE3 TRP 18 -3.043 5.693 -3.092 314 HZ2 TRP 18 HZ2 TRP 18 -0.717 8.912 -0.156 315 HZ3 TRP 18 HZ3 TRP 18 -1.355 7.188 -4.019 316 HH2 TRP 18 HH2 TRP 18 -0.178 8.771 -2.581 317 H LYS 19 H LYS 19 -4.925 4.740 -3.540 318 HA LYS 19 HA LYS 19 -3.918 7.265 -4.316 319 1HB LYS 19 1HB LYS 19 -4.865 4.814 -5.827 320 2HB LYS 19 2HB LYS 19 -4.127 6.191 -6.634 321 1HG LYS 19 1HG LYS 19 -2.133 5.949 -5.161 322 2HG LYS 19 2HG LYS 19 -2.850 4.488 -4.489 323 1HD LYS 19 1HD LYS 19 -3.057 3.814 -7.045 324 2HD LYS 19 2HD LYS 19 -1.728 4.963 -7.219 325 1HE LYS 19 1HE LYS 19 -1.611 2.862 -5.062 326 2HE LYS 19 2HE LYS 19 -1.133 2.464 -6.725 327 1HZ LYS 19 1HZ LYS 19 -0.159 4.863 -5.278 328 2HZ LYS 19 2HZ LYS 19 0.690 3.395 -5.301 329 3HZ LYS 19 3HZ LYS 19 0.411 4.238 -6.751 330 H ALA 20 H ALA 20 -7.073 5.738 -4.698 331 HA ALA 20 HA ALA 20 -8.211 7.654 -6.462 332 1HB ALA 20 1HB ALA 20 -9.192 5.708 -4.411 333 2HB ALA 20 2HB ALA 20 -10.339 6.824 -5.149 334 3HB ALA 20 3HB ALA 20 -9.438 5.693 -6.158 335 H ALA 21 H ALA 21 -7.659 7.639 -2.996 336 HA ALA 21 HA ALA 21 -8.901 10.352 -2.815 337 1HB ALA 21 1HB ALA 21 -9.635 8.094 -1.509 338 2HB ALA 21 2HB ALA 21 -8.424 8.710 -0.386 339 3HB ALA 21 3HB ALA 21 -9.821 9.701 -0.807 340 H ASN 22 H ASN 22 -6.157 9.637 -3.583 341 HA ASN 22 HA ASN 22 -4.778 11.443 -1.701 342 1HB ASN 22 1HB ASN 22 -4.029 8.547 -2.130 343 2HB ASN 22 2HB ASN 22 -2.901 9.738 -1.482 344 1HD2 ASN 22 2HD2 ASN 22 -5.147 7.481 -0.532 345 2HD2 ASN 22 1HD2 ASN 22 -5.543 8.100 0.996 346 HA PRO 23 HA PRO 23 -3.364 11.421 -6.202 347 1HB PRO 23 1HB PRO 23 -4.582 13.760 -6.969 348 2HB PRO 23 2HB PRO 23 -5.340 12.169 -7.184 349 1HG PRO 23 1HG PRO 23 -5.815 14.223 -5.086 350 2HG PRO 23 2HG PRO 23 -6.968 13.159 -5.907 351 1HD PRO 23 1HD PRO 23 -6.026 12.695 -3.393 352 2HD PRO 23 2HD PRO 23 -6.554 11.398 -4.482 353 H LEU 24 H LEU 24 -3.832 13.590 -3.548 354 HA LEU 24 HA LEU 24 -1.915 15.629 -4.160 355 1HB LEU 24 1HB LEU 24 -2.437 16.329 -1.991 356 2HB LEU 24 2HB LEU 24 -3.803 15.262 -2.289 357 HG LEU 24 HG LEU 24 -1.250 14.285 -0.970 358 1HD1 LEU 24 1HD1 LEU 24 -2.427 16.218 0.246 359 2HD1 LEU 24 2HD1 LEU 24 -3.759 15.089 0.499 360 3HD1 LEU 24 3HD1 LEU 24 -2.164 14.736 1.164 361 1HD2 LEU 24 1HD2 LEU 24 -3.483 12.928 -1.957 362 2HD2 LEU 24 2HD2 LEU 24 -2.328 12.287 -0.791 363 3HD2 LEU 24 3HD2 LEU 24 -3.812 13.063 -0.233 364 H LEU 25 H LEU 25 -1.695 12.456 -2.671 365 HA LEU 25 HA LEU 25 1.252 12.700 -2.328 366 1HB LEU 25 1HB LEU 25 -0.997 10.971 -1.325 367 2HB LEU 25 2HB LEU 25 0.635 10.296 -1.331 368 HG LEU 25 HG LEU 25 0.259 13.036 -0.190 369 1HD1 LEU 25 1HD1 LEU 25 -1.491 11.198 0.670 370 2HD1 LEU 25 2HD1 LEU 25 -0.105 10.707 1.642 371 3HD1 LEU 25 3HD1 LEU 25 -0.737 12.348 1.773 372 1HD2 LEU 25 1HD2 LEU 25 1.960 10.632 0.552 373 2HD2 LEU 25 2HD2 LEU 25 2.501 12.021 -0.391 374 3HD2 LEU 25 3HD2 LEU 25 2.059 12.224 1.305 375 H VAL 26 H VAL 26 -0.086 12.646 -4.858 376 HA VAL 26 HA VAL 26 1.114 10.219 -6.081 377 HB VAL 26 HB VAL 26 -1.707 10.990 -5.668 378 1HG1 VAL 26 1HG1 VAL 26 -0.746 10.193 -8.426 379 2HG1 VAL 26 2HG1 VAL 26 -2.422 10.054 -7.890 380 3HG1 VAL 26 3HG1 VAL 26 -1.653 11.639 -7.976 381 1HG2 VAL 26 1HG2 VAL 26 -0.089 8.516 -6.192 382 2HG2 VAL 26 2HG2 VAL 26 -1.163 8.889 -4.841 383 3HG2 VAL 26 3HG2 VAL 26 -1.838 8.459 -6.415 384 H GLY 27 H GLY 27 1.753 10.649 -8.294 385 1HA GLY 27 1HA GLY 27 2.638 13.209 -8.978 386 2HA GLY 27 2HA GLY 27 2.287 11.965 -10.178 387 H VAL 28 H VAL 28 1.065 14.831 -8.584 388 HA VAL 28 HA VAL 28 -0.836 16.176 -9.051 389 HB VAL 28 HB VAL 28 -0.595 14.960 -11.804 390 1HG1 VAL 28 1HG1 VAL 28 -2.241 16.905 -10.804 391 2HG1 VAL 28 2HG1 VAL 28 -0.870 17.874 -11.360 392 3HG1 VAL 28 3HG1 VAL 28 -1.723 16.820 -12.490 393 1HG2 VAL 28 1HG2 VAL 28 1.199 17.013 -10.465 394 2HG2 VAL 28 2HG2 VAL 28 1.686 15.439 -11.094 395 3HG2 VAL 28 3HG2 VAL 28 1.172 16.711 -12.203 396 H SER 29 H SER 29 -2.754 15.342 -11.209 397 HA SER 29 HA SER 29 -4.559 13.869 -9.523 398 1HB SER 29 1HB SER 29 -5.384 15.520 -11.077 399 2HB SER 29 2HB SER 29 -4.578 14.726 -12.426 400 HG SER 29 HG SER 29 -6.268 13.506 -12.606 401 H ALA 30 H ALA 30 -2.333 12.257 -9.712 402 HA ALA 30 HA ALA 30 -1.519 10.154 -10.415 403 1HB ALA 30 1HB ALA 30 -4.350 10.141 -9.765 404 2HB ALA 30 2HB ALA 30 -3.958 8.845 -10.896 405 3HB ALA 30 3HB ALA 30 -3.108 8.957 -9.353 406 H LYS 31 H LYS 31 -0.797 11.266 -12.506 407 HA LYS 31 HA LYS 31 -2.348 10.224 -14.851 408 1HB LYS 31 1HB LYS 31 -1.213 12.160 -16.042 409 2HB LYS 31 2HB LYS 31 -2.351 12.637 -14.782 410 1HG LYS 31 1HG LYS 31 -0.585 13.116 -13.237 411 2HG LYS 31 2HG LYS 31 0.616 12.333 -14.265 412 1HD LYS 31 1HD LYS 31 -0.980 14.705 -15.233 413 2HD LYS 31 2HD LYS 31 0.520 14.910 -14.327 414 1HE LYS 31 1HE LYS 31 1.817 14.221 -16.084 415 2HE LYS 31 2HE LYS 31 0.656 12.971 -16.574 416 1HZ LYS 31 1HZ LYS 31 0.167 15.884 -16.880 417 2HZ LYS 31 2HZ LYS 31 0.778 14.902 -18.124 418 3HZ LYS 31 3HZ LYS 31 -0.774 14.616 -17.497 419 HA PRO 32 HA PRO 32 1.344 7.848 -15.508 420 1HB PRO 32 1HB PRO 32 0.657 6.768 -17.923 421 2HB PRO 32 2HB PRO 32 -0.030 6.206 -16.386 422 1HG PRO 32 1HG PRO 32 -1.221 7.951 -18.465 423 2HG PRO 32 2HG PRO 32 -1.992 6.760 -17.408 424 1HD PRO 32 1HD PRO 32 -2.062 9.497 -17.028 425 2HD PRO 32 2HD PRO 32 -2.356 8.284 -15.765 426 H VAL 33 H VAL 33 2.591 7.411 -17.886 427 HA VAL 33 HA VAL 33 3.439 10.149 -18.700 428 HB VAL 33 HB VAL 33 5.428 8.907 -19.542 429 1HG1 VAL 33 1HG1 VAL 33 5.198 9.653 -17.139 430 2HG1 VAL 33 2HG1 VAL 33 4.673 8.017 -16.747 431 3HG1 VAL 33 3HG1 VAL 33 6.297 8.295 -17.377 432 1HG2 VAL 33 1HG2 VAL 33 3.749 6.773 -19.777 433 2HG2 VAL 33 2HG2 VAL 33 5.504 6.623 -19.708 434 3HG2 VAL 33 3HG2 VAL 33 4.541 6.385 -18.250 435 H ASN 34 H ASN 34 4.567 9.391 -21.211 436 HA ASN 34 HA ASN 34 2.209 8.502 -22.822 437 1HB ASN 34 1HB ASN 34 3.835 11.049 -23.054 438 2HB ASN 34 2HB ASN 34 2.766 10.475 -24.335 439 1HD2 ASN 34 2HD2 ASN 34 0.426 10.407 -23.866 440 2HD2 ASN 34 1HD2 ASN 34 -0.225 11.312 -22.586 441 H ARG 35 H ARG 35 3.230 8.776 -25.325 442 HA ARG 35 HA ARG 35 4.641 7.677 -26.870 443 1HB ARG 35 1HB ARG 35 6.609 8.458 -24.691 444 2HB ARG 35 2HB ARG 35 7.052 8.012 -26.339 445 1HG ARG 35 1HG ARG 35 6.375 10.010 -27.203 446 2HG ARG 35 2HG ARG 35 4.985 10.119 -26.123 447 1HD ARG 35 1HD ARG 35 6.751 10.544 -24.249 448 2HD ARG 35 2HD ARG 35 7.843 10.928 -25.595 449 HE ARG 35 HE ARG 35 5.485 12.302 -26.179 450 1HH1 ARG 35 1HH1 ARG 35 7.755 12.181 -23.558 451 2HH1 ARG 35 2HH1 ARG 35 7.495 13.829 -23.100 452 1HH2 ARG 35 1HH2 ARG 35 5.153 14.444 -25.577 453 2HH2 ARG 35 2HH2 ARG 35 6.029 15.105 -24.237 454 HA PRO 36 HA PRO 36 4.723 3.886 -24.118 455 1HB PRO 36 1HB PRO 36 2.735 2.499 -25.384 456 2HB PRO 36 2HB PRO 36 2.425 3.620 -24.043 457 1HG PRO 36 1HG PRO 36 2.077 4.024 -26.969 458 2HG PRO 36 2HG PRO 36 1.080 4.595 -25.622 459 1HD PRO 36 1HD PRO 36 2.873 6.166 -26.969 460 2HD PRO 36 2HD PRO 36 2.366 6.452 -25.289 Start of MODEL 22 1 1H5* G 1 1H5* G 1 11.839 -16.099 0.462 2 2H5* G 1 2H5* G 1 11.899 -14.850 1.724 3 H4* G 1 H4* G 1 11.140 -17.774 2.047 4 H3* G 1 H3* G 1 9.635 -15.152 2.373 5 H2* G 1 H2* G 1 8.323 -16.165 4.051 6 2HO* G 1 2HO* G 1 7.685 -18.116 3.487 7 H1* G 1 H1* G 1 10.415 -17.714 5.093 8 H8 G 1 H8 G 1 11.486 -14.146 4.554 9 H1 G 1 H1 G 1 7.769 -14.989 9.727 10 1H2 G 1 1H2 G 1 6.701 -16.959 9.543 11 2H2 G 1 2H2 G 1 7.481 -18.238 8.639 12 1H5* C 2 1H5* C 2 5.956 -16.670 1.088 13 2H5* C 2 2H5* C 2 7.036 -16.216 2.426 14 H4* C 2 H4* C 2 4.837 -18.189 2.956 15 H3* C 2 H3* C 2 4.477 -15.204 2.553 16 H2* C 2 H2* C 2 3.076 -15.104 4.435 17 2HO* C 2 2HO* C 2 2.872 -17.923 4.166 18 H1* C 2 H1* C 2 4.434 -17.004 5.970 19 1H4 C 2 1H4 C 2 6.268 -11.427 8.342 20 2H4 C 2 2H4 C 2 7.375 -11.183 7.012 21 H5 C 2 H5 C 2 7.222 -12.526 4.973 22 H6 C 2 H6 C 2 6.621 -14.749 4.141 23 1H5* C 3 1H5* C 3 0.035 -14.006 1.714 24 2H5* C 3 2H5* C 3 1.070 -12.612 2.086 25 H4* C 3 H4* C 3 -0.471 -14.402 3.935 26 H3* C 3 H3* C 3 0.097 -11.451 3.629 27 H2* C 3 H2* C 3 -0.139 -11.116 5.928 28 2HO* C 3 2HO* C 3 -1.951 -12.171 6.510 29 H1* C 3 H1* C 3 1.052 -13.490 6.744 30 1H4 C 3 1H4 C 3 5.250 -8.610 7.026 31 2H4 C 3 2H4 C 3 6.110 -9.417 5.734 32 H5 C 3 H5 C 3 4.768 -10.761 4.137 33 H6 C 3 H6 C 3 2.983 -12.400 4.012 34 1H5* C 4 1H5* C 4 -4.333 -10.289 4.828 35 2H5* C 4 2H5* C 4 -2.577 -10.217 4.610 36 H4* C 4 H4* C 4 -4.081 -9.745 7.201 37 H3* C 4 H3* C 4 -2.689 -7.881 5.250 38 H2* C 4 H2* C 4 -2.039 -6.534 7.066 39 2HO* C 4 2HO* C 4 -3.275 -6.301 8.740 40 H1* C 4 H1* C 4 -1.508 -8.645 8.804 41 1H4 C 4 1H4 C 4 3.749 -6.383 5.783 42 2H4 C 4 2H4 C 4 4.078 -8.076 5.514 43 H5 C 4 H5 C 4 1.707 -8.913 4.592 44 H6 C 4 H6 C 4 -0.454 -9.386 5.450 45 1H5* U 5 1H5* U 5 -4.950 -5.724 7.808 46 2H5* U 5 2H5* U 5 -5.848 -4.340 7.146 47 H4* U 5 H4* U 5 -4.448 -3.604 8.996 48 H3* U 5 H3* U 5 -3.434 -2.720 6.269 49 H2* U 5 H2* U 5 -1.715 -1.553 7.361 50 2HO* U 5 2HO* U 5 -3.399 -1.713 9.638 51 H1* U 5 H1* U 5 -1.454 -3.381 9.492 52 H3 U 5 H3 U 5 2.465 -2.616 7.252 53 H5 U 5 H5 U 5 0.557 -5.693 5.159 54 H6 U 5 H6 U 5 -1.439 -5.131 6.359 55 1H5* G 6 1H5* G 6 -2.495 -0.082 7.363 56 2H5* G 6 2H5* G 6 -2.815 1.410 8.263 57 H4* G 6 H4* G 6 -2.100 2.762 6.515 58 H3* G 6 H3* G 6 -2.750 0.432 4.672 59 H2* G 6 H2* G 6 -1.148 1.215 3.165 60 2HO* G 6 2HO* G 6 -1.097 3.677 4.594 61 H1* G 6 H1* G 6 0.634 2.213 5.105 62 H8 G 6 H8 G 6 -0.967 -1.301 5.114 63 H1 G 6 H1 G 6 4.963 -0.960 2.653 64 1H2 G 6 1H2 G 6 5.481 1.216 2.286 65 2H2 G 6 2H2 G 6 4.766 2.394 3.370 66 1H5* A 7 1H5* A 7 -4.615 1.803 0.517 67 2H5* A 7 2H5* A 7 -3.623 0.330 0.521 68 H4* A 7 H4* A 7 -2.817 1.800 -1.218 69 H3* A 7 H3* A 7 -1.020 1.768 1.231 70 H2* A 7 H2* A 7 0.453 3.226 0.079 71 2HO* A 7 2HO* A 7 -0.217 3.595 -2.293 72 H1* A 7 H1* A 7 -1.557 4.576 -1.316 73 H8 A 7 H8 A 7 -2.548 4.633 2.252 74 1H6 A 7 1H6 A 7 0.843 9.465 3.007 75 2H6 A 7 2H6 A 7 0.963 8.017 3.980 76 H2 A 7 H2 A 7 2.279 7.436 -0.928 77 1H5* A 8 1H5* A 8 1.024 0.950 -1.769 78 2H5* A 8 2H5* A 8 2.344 -0.224 -1.946 79 H4* A 8 H4* A 8 3.271 1.976 -2.272 80 H3* A 8 H3* A 8 3.849 0.797 0.468 81 H2* A 8 H2* A 8 5.122 2.704 1.039 82 2HO* A 8 2HO* A 8 5.773 4.217 -0.500 83 H1* A 8 H1* A 8 3.436 4.537 -0.262 84 H8 A 8 H8 A 8 1.241 2.147 1.559 85 1H6 A 8 1H6 A 8 1.767 3.917 6.196 86 2H6 A 8 2H6 A 8 1.994 5.618 6.532 87 H2 A 8 H2 A 8 5.280 6.725 3.580 88 1H5* A 9 2H5* A 9 8.379 -0.646 -2.480 89 2H5* A 9 1H5* A 9 7.402 0.218 -1.274 90 H4* A 9 H4* A 9 9.498 1.288 -2.766 91 H3* A 9 H3* A 9 7.183 2.576 -1.292 92 H2* A 9 H2* A 9 7.970 4.687 -2.033 93 2HO* A 9 2HO* A 9 10.345 3.489 -1.955 94 H1* A 9 H1* A 9 8.644 3.794 -4.594 95 H8 A 9 H8 A 9 6.236 5.061 -2.214 96 1H6 A 9 1H6 A 9 1.896 4.873 -5.051 97 2H6 A 9 2H6 A 9 2.236 5.734 -6.535 98 H2 A 9 H2 A 9 5.287 2.528 -8.033 99 1H5* A 10 1H5* A 10 10.056 1.275 3.721 100 2H5* A 10 2H5* A 10 8.346 1.607 3.366 101 H4* A 10 H4* A 10 10.234 3.916 3.684 102 H3* A 10 H3* A 10 9.143 2.184 5.906 103 H2* A 10 H2* A 10 8.562 4.079 7.161 104 2HO* A 10 2HO* A 10 10.659 5.183 5.837 105 H1* A 10 H1* A 10 7.740 5.674 5.031 106 H8 A 10 H8 A 10 6.160 2.664 3.980 107 1H6 A 10 1H6 A 10 2.450 2.267 7.122 108 2H6 A 10 2H6 A 10 2.033 3.113 8.595 109 H2 A 10 H2 A 10 5.447 5.881 9.499 110 1H5* A 11 1H5* A 11 10.445 4.269 8.709 111 2H5* A 11 2H5* A 11 11.060 3.121 9.920 112 H4* A 11 H4* A 11 8.771 4.241 10.367 113 H3* A 11 H3* A 11 9.249 1.254 10.478 114 H2* A 11 H2* A 11 6.974 0.891 10.980 115 2HO* A 11 2HO* A 11 5.680 2.361 11.876 116 H1* A 11 H1* A 11 5.937 2.885 9.361 117 H8 A 11 H8 A 11 8.647 1.070 7.485 118 1H6 A 11 1H6 A 11 4.696 -3.376 6.261 119 2H6 A 11 2H6 A 11 5.541 -2.257 5.218 120 H2 A 11 H2 A 11 2.590 -0.415 9.046 121 1H5* G 12 1H5* G 12 9.223 -1.669 13.350 122 2H5* G 12 2H5* G 12 9.113 -0.787 11.816 123 H4* G 12 H4* G 12 6.970 -0.018 13.625 124 H3* G 12 H3* G 12 7.303 -2.954 13.007 125 H2* G 12 H2* G 12 4.988 -3.102 12.534 126 2HO* G 12 2HO* G 12 4.863 -0.842 14.152 127 H1* G 12 H1* G 12 4.771 -0.608 11.280 128 H8 G 12 H8 G 12 7.732 -1.681 9.613 129 H1 G 12 H1 G 12 2.859 -5.606 8.165 130 1H2 G 12 1H2 G 12 1.166 -5.248 9.523 131 2H2 G 12 2H2 G 12 1.353 -4.308 10.988 132 1H5* G 13 1H5* G 13 4.673 -3.137 16.054 133 2H5* G 13 2H5* G 13 5.054 -4.126 17.481 134 H4* G 13 H4* G 13 3.023 -5.000 16.593 135 H3* G 13 H3* G 13 5.420 -6.630 15.722 136 H2* G 13 H2* G 13 3.985 -8.042 14.525 137 2HO* G 13 2HO* G 13 1.813 -6.885 15.939 138 H1* G 13 H1* G 13 2.160 -6.074 13.730 139 H8 G 13 H8 G 13 5.626 -4.852 13.051 140 H1 G 13 H1 G 13 3.532 -9.140 8.742 141 1H2 G 13 1H2 G 13 1.487 -9.856 9.379 142 2H2 G 13 2H2 G 13 1.199 -9.975 11.101 143 1H5* G 14 1H5* G 14 1.370 -9.574 17.896 144 2H5* G 14 2H5* G 14 2.733 -10.491 18.576 145 H4* G 14 H4* G 14 0.933 -11.825 17.289 146 H3* G 14 H3* G 14 3.882 -11.989 16.623 147 H2* G 14 H2* G 14 3.384 -13.573 14.943 148 2HO* G 14 2HO* G 14 1.274 -14.127 16.560 149 H1* G 14 H1* G 14 1.027 -12.364 14.078 150 H8 G 14 H8 G 14 3.571 -9.684 14.638 151 H1 G 14 H1 G 14 4.558 -13.030 9.228 152 1H2 G 14 1H2 G 14 3.530 -15.105 9.543 153 2H2 G 14 2H2 G 14 1.902 -14.881 10.144 154 1H5* C 15 1H5* C 15 2.481 -15.590 16.849 155 2H5* C 15 2H5* C 15 3.287 -16.801 17.877 156 H4* C 15 H4* C 15 3.070 -17.801 15.718 157 H3* C 15 H3* C 15 5.862 -16.707 16.167 158 H2* C 15 H2* C 15 6.472 -17.551 14.052 159 2HO* C 15 2HO* C 15 5.247 -19.627 14.602 160 H1* C 15 H1* C 15 3.955 -17.126 12.855 161 1H4 C 15 1H4 C 15 7.831 -12.759 10.411 162 2H4 C 15 2H4 C 15 7.998 -11.955 11.961 163 H5 C 15 H5 C 15 6.512 -12.552 13.830 164 H6 C 15 H6 C 15 5.092 -14.275 14.737 165 2H ASP 2 2H ASP 2 9.270 -11.781 -2.286 166 1H ASP 2 1H ASP 2 9.166 -13.456 -2.020 167 3H ASP 2 3H ASP 2 10.630 -12.638 -1.745 168 HA ASP 2 HA ASP 2 9.753 -12.942 0.400 169 1HB ASP 2 1HB ASP 2 8.805 -10.225 -0.545 170 2HB ASP 2 2HB ASP 2 9.412 -10.646 1.054 171 H ALA 3 H ALA 3 7.661 -11.536 1.579 172 HA ALA 3 HA ALA 3 5.236 -12.872 0.427 173 1HB ALA 3 1HB ALA 3 6.144 -12.417 3.280 174 2HB ALA 3 2HB ALA 3 4.552 -13.043 2.852 175 3HB ALA 3 3HB ALA 3 5.999 -13.967 2.449 176 H GLN 4 H GLN 4 6.283 -10.183 2.524 177 HA GLN 4 HA GLN 4 3.781 -8.761 2.351 178 1HB GLN 4 1HB GLN 4 5.546 -8.459 4.098 179 2HB GLN 4 2HB GLN 4 6.609 -7.778 2.872 180 1HG GLN 4 1HG GLN 4 4.938 -5.989 2.441 181 2HG GLN 4 2HG GLN 4 3.933 -6.645 3.734 182 1HE2 GLN 4 2HE2 GLN 4 5.294 -3.980 3.626 183 2HE2 GLN 4 1HE2 GLN 4 6.295 -3.928 4.992 184 H THR 5 H THR 5 6.932 -8.174 0.802 185 HA THR 5 HA THR 5 6.173 -6.132 -0.985 186 HB THR 5 HB THR 5 8.016 -8.511 -1.433 187 HG1 THR 5 HG1 THR 5 9.436 -7.416 -0.304 188 1HG2 THR 5 1HG2 THR 5 7.567 -5.919 -2.877 189 2HG2 THR 5 2HG2 THR 5 9.171 -6.656 -2.876 190 3HG2 THR 5 3HG2 THR 5 7.793 -7.537 -3.539 191 H ARG 6 H ARG 6 5.626 -9.602 -1.068 192 HA ARG 6 HA ARG 6 4.476 -9.738 -3.737 193 1HB ARG 6 1HB ARG 6 5.033 -11.425 -1.432 194 2HB ARG 6 2HB ARG 6 3.414 -11.747 -2.066 195 1HG ARG 6 1HG ARG 6 4.761 -11.658 -4.395 196 2HG ARG 6 2HG ARG 6 6.082 -12.174 -3.345 197 1HD ARG 6 1HD ARG 6 3.387 -13.551 -3.270 198 2HD ARG 6 2HD ARG 6 4.665 -14.055 -4.393 199 HE ARG 6 HE ARG 6 5.664 -13.729 -1.683 200 1HH1 ARG 6 1HH1 ARG 6 3.997 -15.849 -3.868 201 2HH1 ARG 6 2HH1 ARG 6 4.472 -17.284 -3.025 202 1HH2 ARG 6 1HH2 ARG 6 6.275 -15.600 -0.595 203 2HH2 ARG 6 2HH2 ARG 6 5.756 -17.145 -1.180 204 H ARG 7 H ARG 7 3.245 -9.579 -0.413 205 HA ARG 7 HA ARG 7 0.487 -9.672 -0.990 206 1HB ARG 7 1HB ARG 7 1.233 -9.929 1.240 207 2HB ARG 7 2HB ARG 7 2.230 -8.483 1.158 208 1HG ARG 7 1HG ARG 7 -0.098 -7.265 0.813 209 2HG ARG 7 2HG ARG 7 -0.729 -8.719 1.589 210 1HD ARG 7 1HD ARG 7 -0.110 -7.897 3.599 211 2HD ARG 7 2HD ARG 7 1.578 -7.859 3.062 212 HE ARG 7 HE ARG 7 -0.285 -5.578 3.004 213 1HH1 ARG 7 1HH1 ARG 7 2.659 -6.999 1.833 214 2HH1 ARG 7 2HH1 ARG 7 3.334 -5.484 1.363 215 1HH2 ARG 7 1HH2 ARG 7 0.604 -3.622 2.389 216 2HH2 ARG 7 2HH2 ARG 7 2.180 -3.579 1.674 217 H ARG 8 H ARG 8 2.793 -7.008 -1.099 218 HA ARG 8 HA ARG 8 1.053 -4.768 -1.319 219 1HB ARG 8 1HB ARG 8 3.687 -5.094 -1.253 220 2HB ARG 8 2HB ARG 8 3.530 -5.090 -3.007 221 1HG ARG 8 1HG ARG 8 3.874 -2.824 -2.536 222 2HG ARG 8 2HG ARG 8 2.119 -2.929 -2.637 223 1HD ARG 8 1HD ARG 8 2.883 -1.646 -0.622 224 2HD ARG 8 2HD ARG 8 1.966 -3.100 -0.183 225 HE ARG 8 HE ARG 8 3.953 -4.010 0.707 226 1HH1 ARG 8 1HH1 ARG 8 4.653 -1.423 -1.496 227 2HH1 ARG 8 2HH1 ARG 8 6.351 -1.452 -1.169 228 1HH2 ARG 8 1HH2 ARG 8 6.164 -4.035 1.123 229 2HH2 ARG 8 2HH2 ARG 8 7.203 -2.919 0.303 230 H GLU 9 H GLU 9 2.170 -7.078 -3.764 231 HA GLU 9 HA GLU 9 0.930 -5.796 -6.010 232 1HB GLU 9 1HB GLU 9 1.427 -8.740 -5.406 233 2HB GLU 9 2HB GLU 9 1.099 -8.081 -7.009 234 1HG GLU 9 1HG GLU 9 3.262 -6.635 -5.709 235 2HG GLU 9 2HG GLU 9 3.616 -8.360 -5.800 236 H ARG 10 H ARG 10 -0.220 -7.801 -3.413 237 HA ARG 10 HA ARG 10 -2.890 -8.189 -4.536 238 1HB ARG 10 1HB ARG 10 -1.252 -9.149 -2.374 239 2HB ARG 10 2HB ARG 10 -2.772 -8.560 -1.704 240 1HG ARG 10 1HG ARG 10 -4.009 -10.192 -2.724 241 2HG ARG 10 2HG ARG 10 -2.999 -10.193 -4.171 242 1HD ARG 10 1HD ARG 10 -1.211 -11.382 -2.874 243 2HD ARG 10 2HD ARG 10 -2.332 -11.487 -1.503 244 HE ARG 10 HE ARG 10 -3.609 -12.424 -3.912 245 1HH1 ARG 10 1HH1 ARG 10 -1.280 -13.276 -1.483 246 2HH1 ARG 10 2HH1 ARG 10 -1.543 -14.978 -1.661 247 1HH2 ARG 10 1HH2 ARG 10 -3.943 -14.638 -4.134 248 2HH2 ARG 10 2HH2 ARG 10 -3.043 -15.747 -3.153 249 H ARG 11 H ARG 11 -1.168 -5.686 -2.942 250 HA ARG 11 HA ARG 11 -3.623 -4.459 -1.818 251 1HB ARG 11 1HB ARG 11 -0.701 -3.647 -1.864 252 2HB ARG 11 2HB ARG 11 -1.980 -2.768 -1.035 253 1HG ARG 11 1HG ARG 11 -1.090 -5.607 -0.451 254 2HG ARG 11 2HG ARG 11 -0.813 -4.198 0.565 255 1HD ARG 11 1HD ARG 11 -2.846 -4.439 1.533 256 2HD ARG 11 2HD ARG 11 -3.643 -4.458 -0.048 257 HE ARG 11 HE ARG 11 -2.261 -6.941 0.349 258 1HH1 ARG 11 1HH1 ARG 11 -5.037 -5.145 1.406 259 2HH1 ARG 11 2HH1 ARG 11 -5.955 -6.561 1.789 260 1HH2 ARG 11 1HH2 ARG 11 -3.464 -8.776 0.850 261 2HH2 ARG 11 2HH2 ARG 11 -5.070 -8.606 1.476 262 H ALA 12 H ALA 12 -2.215 -4.636 -4.840 263 HA ALA 12 HA ALA 12 -2.052 -1.975 -5.828 264 1HB ALA 12 1HB ALA 12 -1.638 -4.227 -6.987 265 2HB ALA 12 2HB ALA 12 -3.386 -4.343 -7.193 266 3HB ALA 12 3HB ALA 12 -2.491 -3.032 -7.966 267 H GLU 13 H GLU 13 -4.784 -3.953 -4.932 268 HA GLU 13 HA GLU 13 -6.856 -2.272 -6.064 269 1HB GLU 13 1HB GLU 13 -8.112 -4.052 -5.336 270 2HB GLU 13 2HB GLU 13 -6.557 -4.789 -4.982 271 1HG GLU 13 1HG GLU 13 -7.827 -5.031 -3.003 272 2HG GLU 13 2HG GLU 13 -6.695 -3.720 -2.699 273 H LYS 14 H LYS 14 -5.228 -2.627 -2.949 274 HA LYS 14 HA LYS 14 -6.769 -0.549 -1.589 275 1HB LYS 14 1HB LYS 14 -3.999 -1.709 -1.060 276 2HB LYS 14 2HB LYS 14 -4.979 -0.818 0.107 277 1HG LYS 14 1HG LYS 14 -5.817 -3.423 -1.192 278 2HG LYS 14 2HG LYS 14 -5.104 -3.295 0.413 279 1HD LYS 14 1HD LYS 14 -6.970 -2.190 1.299 280 2HD LYS 14 2HD LYS 14 -7.539 -1.674 -0.288 281 1HE LYS 14 1HE LYS 14 -7.824 -4.214 -0.782 282 2HE LYS 14 2HE LYS 14 -7.744 -4.403 0.981 283 1HZ LYS 14 1HZ LYS 14 -9.489 -2.401 -0.335 284 2HZ LYS 14 2HZ LYS 14 -10.027 -3.969 0.032 285 3HZ LYS 14 3HZ LYS 14 -9.537 -2.929 1.279 286 H GLN 15 H GLN 15 -3.746 -0.756 -3.337 287 HA GLN 15 HA GLN 15 -2.826 1.940 -2.951 288 1HB GLN 15 1HB GLN 15 -2.179 -0.523 -4.373 289 2HB GLN 15 2HB GLN 15 -1.826 0.880 -5.366 290 1HG GLN 15 1HG GLN 15 -0.239 1.705 -3.876 291 2HG GLN 15 2HG GLN 15 -0.981 0.896 -2.497 292 1HE2 GLN 15 2HE2 GLN 15 -0.996 -1.668 -2.826 293 2HE2 GLN 15 1HE2 GLN 15 0.473 -2.327 -3.363 294 H ALA 16 H ALA 16 -4.483 0.325 -5.664 295 HA ALA 16 HA ALA 16 -4.747 2.711 -7.265 296 1HB ALA 16 1HB ALA 16 -4.886 0.361 -8.085 297 2HB ALA 16 2HB ALA 16 -6.394 0.153 -7.194 298 3HB ALA 16 3HB ALA 16 -6.316 1.289 -8.541 299 H GLN 17 H GLN 17 -6.674 1.320 -4.648 300 HA GLN 17 HA GLN 17 -8.977 3.075 -5.143 301 1HB GLN 17 1HB GLN 17 -8.035 1.130 -3.043 302 2HB GLN 17 2HB GLN 17 -9.371 2.214 -2.664 303 1HG GLN 17 1HG GLN 17 -9.373 0.588 -5.202 304 2HG GLN 17 2HG GLN 17 -9.950 -0.099 -3.684 305 1HE2 GLN 17 2HE2 GLN 17 -11.422 1.800 -2.472 306 2HE2 GLN 17 1HE2 GLN 17 -12.651 2.402 -3.477 307 H TRP 18 H TRP 18 -6.085 3.011 -3.167 308 HA TRP 18 HA TRP 18 -6.683 5.440 -1.665 309 1HB TRP 18 1HB TRP 18 -5.178 3.687 -0.814 310 2HB TRP 18 2HB TRP 18 -4.171 3.831 -2.240 311 HD1 TRP 18 HD1 TRP 18 -4.818 5.505 1.091 312 HE1 TRP 18 HE1 TRP 18 -3.151 7.460 1.368 313 HE3 TRP 18 HE3 TRP 18 -2.816 5.583 -3.531 314 HZ2 TRP 18 HZ2 TRP 18 -1.195 8.852 -0.205 315 HZ3 TRP 18 HZ3 TRP 18 -1.079 7.178 -4.145 316 HH2 TRP 18 HH2 TRP 18 -0.247 8.799 -2.508 317 H LYS 19 H LYS 19 -4.579 4.537 -4.351 318 HA LYS 19 HA LYS 19 -3.438 7.080 -4.908 319 1HB LYS 19 1HB LYS 19 -4.035 4.602 -6.544 320 2HB LYS 19 2HB LYS 19 -3.186 5.984 -7.218 321 1HG LYS 19 1HG LYS 19 -1.435 5.789 -5.523 322 2HG LYS 19 2HG LYS 19 -2.288 4.438 -4.779 323 1HD LYS 19 1HD LYS 19 -1.821 2.990 -6.541 324 2HD LYS 19 2HD LYS 19 -1.605 4.306 -7.696 325 1HE LYS 19 1HE LYS 19 0.606 4.522 -7.197 326 2HE LYS 19 2HE LYS 19 0.314 4.366 -5.453 327 1HZ LYS 19 1HZ LYS 19 -0.202 1.962 -5.932 328 2HZ LYS 19 2HZ LYS 19 0.464 2.201 -7.473 329 3HZ LYS 19 3HZ LYS 19 1.430 2.405 -6.090 330 H ALA 20 H ALA 20 -6.434 5.519 -5.905 331 HA ALA 20 HA ALA 20 -7.218 7.349 -7.914 332 1HB ALA 20 1HB ALA 20 -8.546 5.469 -6.015 333 2HB ALA 20 2HB ALA 20 -9.562 6.575 -6.937 334 3HB ALA 20 3HB ALA 20 -8.516 5.431 -7.778 335 H ALA 21 H ALA 21 -7.332 7.531 -4.410 336 HA ALA 21 HA ALA 21 -8.529 10.259 -4.639 337 1HB ALA 21 1HB ALA 21 -9.828 8.276 -3.568 338 2HB ALA 21 2HB ALA 21 -8.703 8.468 -2.223 339 3HB ALA 21 3HB ALA 21 -9.771 9.797 -2.675 340 H ASN 22 H ASN 22 -5.696 9.368 -4.639 341 HA ASN 22 HA ASN 22 -4.748 11.289 -2.610 342 1HB ASN 22 1HB ASN 22 -3.967 8.365 -2.615 343 2HB ASN 22 2HB ASN 22 -3.151 9.613 -1.679 344 1HD2 ASN 22 2HD2 ASN 22 -5.386 7.254 -1.328 345 2HD2 ASN 22 1HD2 ASN 22 -6.334 7.912 -0.083 346 HA PRO 23 HA PRO 23 -2.151 10.769 -6.514 347 1HB PRO 23 1HB PRO 23 -3.003 13.002 -7.860 348 2HB PRO 23 2HB PRO 23 -3.736 11.402 -8.098 349 1HG PRO 23 1HG PRO 23 -4.706 13.711 -6.500 350 2HG PRO 23 2HG PRO 23 -5.618 12.535 -7.460 351 1HD PRO 23 1HD PRO 23 -5.389 12.447 -4.731 352 2HD PRO 23 2HD PRO 23 -5.721 11.024 -5.736 353 H LEU 24 H LEU 24 -3.263 13.250 -4.367 354 HA LEU 24 HA LEU 24 -1.186 15.204 -4.638 355 1HB LEU 24 1HB LEU 24 -2.267 16.137 -2.793 356 2HB LEU 24 2HB LEU 24 -3.527 15.033 -3.329 357 HG LEU 24 HG LEU 24 -1.451 14.248 -1.258 358 1HD1 LEU 24 1HD1 LEU 24 -2.993 16.291 -0.722 359 2HD1 LEU 24 2HD1 LEU 24 -4.256 15.070 -0.571 360 3HD1 LEU 24 3HD1 LEU 24 -2.830 14.998 0.465 361 1HD2 LEU 24 1HD2 LEU 24 -3.355 12.754 -2.672 362 2HD2 LEU 24 2HD2 LEU 24 -2.553 12.256 -1.184 363 3HD2 LEU 24 3HD2 LEU 24 -4.123 13.058 -1.118 364 H LEU 25 H LEU 25 -1.462 12.193 -2.845 365 HA LEU 25 HA LEU 25 1.249 12.513 -1.671 366 1HB LEU 25 1HB LEU 25 -1.209 10.840 -1.241 367 2HB LEU 25 2HB LEU 25 0.342 10.181 -0.713 368 HG LEU 25 HG LEU 25 -0.358 12.998 0.040 369 1HD1 LEU 25 1HD1 LEU 25 -1.691 10.512 0.994 370 2HD1 LEU 25 2HD1 LEU 25 -1.205 11.672 2.229 371 3HD1 LEU 25 3HD1 LEU 25 -2.302 12.165 0.940 372 1HD2 LEU 25 1HD2 LEU 25 1.331 10.738 1.104 373 2HD2 LEU 25 2HD2 LEU 25 1.817 12.385 0.699 374 3HD2 LEU 25 3HD2 LEU 25 0.867 12.079 2.153 375 H VAL 26 H VAL 26 0.676 12.158 -4.493 376 HA VAL 26 HA VAL 26 2.098 9.589 -5.014 377 HB VAL 26 HB VAL 26 -0.540 10.646 -5.791 378 1HG1 VAL 26 1HG1 VAL 26 1.411 9.775 -7.932 379 2HG1 VAL 26 2HG1 VAL 26 -0.329 9.558 -8.123 380 3HG1 VAL 26 3HG1 VAL 26 0.339 11.177 -7.919 381 1HG2 VAL 26 1HG2 VAL 26 0.366 8.350 -4.764 382 2HG2 VAL 26 2HG2 VAL 26 -1.097 8.414 -5.747 383 3HG2 VAL 26 3HG2 VAL 26 0.428 7.900 -6.470 384 H GLY 27 H GLY 27 3.375 9.708 -7.071 385 1HA GLY 27 1HA GLY 27 4.803 12.199 -7.313 386 2HA GLY 27 2HA GLY 27 4.991 10.809 -8.381 387 H VAL 28 H VAL 28 2.550 13.331 -7.674 388 HA VAL 28 HA VAL 28 0.935 14.277 -9.146 389 HB VAL 28 HB VAL 28 3.040 15.621 -9.195 390 1HG1 VAL 28 1HG1 VAL 28 3.629 13.795 -11.535 391 2HG1 VAL 28 2HG1 VAL 28 4.417 15.362 -11.341 392 3HG1 VAL 28 3HG1 VAL 28 4.634 14.109 -10.120 393 1HG2 VAL 28 1HG2 VAL 28 0.896 16.073 -10.618 394 2HG2 VAL 28 2HG2 VAL 28 2.364 16.978 -10.989 395 3HG2 VAL 28 3HG2 VAL 28 1.904 15.596 -11.984 396 H SER 29 H SER 29 1.104 11.497 -9.612 397 HA SER 29 HA SER 29 0.481 11.393 -12.530 398 1HB SER 29 1HB SER 29 2.843 10.650 -11.952 399 2HB SER 29 2HB SER 29 2.120 9.339 -11.024 400 HG SER 29 HG SER 29 2.512 9.539 -13.674 401 H ALA 30 H ALA 30 0.032 8.602 -12.526 402 HA ALA 30 HA ALA 30 -1.638 7.011 -12.006 403 1HB ALA 30 1HB ALA 30 -0.589 8.064 -9.606 404 2HB ALA 30 2HB ALA 30 -2.338 8.073 -9.389 405 3HB ALA 30 3HB ALA 30 -1.508 6.568 -9.785 406 H LYS 31 H LYS 31 -2.528 9.057 -13.565 407 HA LYS 31 HA LYS 31 -5.184 9.789 -12.375 408 1HB LYS 31 1HB LYS 31 -3.454 11.254 -14.396 409 2HB LYS 31 2HB LYS 31 -5.015 11.816 -13.795 410 1HG LYS 31 1HG LYS 31 -3.950 11.588 -11.439 411 2HG LYS 31 2HG LYS 31 -2.410 11.553 -12.300 412 1HD LYS 31 1HD LYS 31 -4.494 13.734 -12.609 413 2HD LYS 31 2HD LYS 31 -3.066 13.858 -11.582 414 1HE LYS 31 1HE LYS 31 -2.623 13.050 -14.426 415 2HE LYS 31 2HE LYS 31 -3.027 14.749 -14.108 416 1HZ LYS 31 1HZ LYS 31 -1.322 14.715 -12.331 417 2HZ LYS 31 2HZ LYS 31 -0.859 13.164 -12.837 418 3HZ LYS 31 3HZ LYS 31 -0.671 14.488 -13.884 419 HA PRO 32 HA PRO 32 -6.563 7.291 -15.815 420 1HB PRO 32 1HB PRO 32 -9.246 7.641 -15.413 421 2HB PRO 32 2HB PRO 32 -8.261 6.532 -14.439 422 1HG PRO 32 1HG PRO 32 -9.232 9.266 -13.790 423 2HG PRO 32 2HG PRO 32 -9.073 7.847 -12.746 424 1HD PRO 32 1HD PRO 32 -7.296 9.923 -12.768 425 2HD PRO 32 2HD PRO 32 -6.871 8.263 -12.297 426 H VAL 33 H VAL 33 -7.920 7.703 -17.803 427 HA VAL 33 HA VAL 33 -8.345 10.616 -18.354 428 HB VAL 33 HB VAL 33 -7.241 10.224 -20.555 429 1HG1 VAL 33 1HG1 VAL 33 -5.587 9.428 -18.139 430 2HG1 VAL 33 2HG1 VAL 33 -4.937 10.011 -19.673 431 3HG1 VAL 33 3HG1 VAL 33 -5.917 11.078 -18.667 432 1HG2 VAL 33 1HG2 VAL 33 -7.758 7.750 -20.585 433 2HG2 VAL 33 2HG2 VAL 33 -6.088 8.141 -20.996 434 3HG2 VAL 33 3HG2 VAL 33 -6.480 7.529 -19.389 435 H ASN 34 H ASN 34 -10.098 11.034 -19.746 436 HA ASN 34 HA ASN 34 -11.470 8.768 -21.080 437 1HB ASN 34 1HB ASN 34 -12.123 9.477 -18.504 438 2HB ASN 34 2HB ASN 34 -13.254 10.455 -19.441 439 1HD2 ASN 34 2HD2 ASN 34 -14.172 8.999 -21.453 440 2HD2 ASN 34 1HD2 ASN 34 -14.753 7.477 -20.977 441 H ARG 35 H ARG 35 -12.424 9.477 -22.967 442 HA ARG 35 HA ARG 35 -13.577 12.083 -23.355 443 1HB ARG 35 1HB ARG 35 -10.688 11.777 -23.615 444 2HB ARG 35 2HB ARG 35 -11.410 12.351 -25.119 445 1HG ARG 35 1HG ARG 35 -11.966 14.367 -24.229 446 2HG ARG 35 2HG ARG 35 -12.464 13.658 -22.693 447 1HD ARG 35 1HD ARG 35 -9.602 13.359 -23.001 448 2HD ARG 35 2HD ARG 35 -10.060 15.061 -23.207 449 HE ARG 35 HE ARG 35 -10.296 13.537 -20.743 450 1HH1 ARG 35 1HH1 ARG 35 -11.680 16.069 -22.673 451 2HH1 ARG 35 2HH1 ARG 35 -12.402 16.867 -21.317 452 1HH2 ARG 35 1HH2 ARG 35 -11.239 14.583 -18.990 453 2HH2 ARG 35 2HH2 ARG 35 -12.153 16.031 -19.242 454 HA PRO 36 HA PRO 36 -13.254 9.906 -27.595 455 1HB PRO 36 1HB PRO 36 -11.706 7.659 -27.811 456 2HB PRO 36 2HB PRO 36 -11.079 9.296 -28.091 457 1HG PRO 36 1HG PRO 36 -10.820 7.556 -25.690 458 2HG PRO 36 2HG PRO 36 -9.634 8.640 -26.433 459 1HD PRO 36 1HD PRO 36 -11.049 9.276 -24.200 460 2HD PRO 36 2HD PRO 36 -10.445 10.485 -25.351 Start of MODEL 23 1 1H5* G 1 1H5* G 1 11.725 -15.658 1.541 2 2H5* G 1 2H5* G 1 12.988 -16.602 2.362 3 H4* G 1 H4* G 1 10.992 -18.462 2.149 4 H3* G 1 H3* G 1 9.709 -15.732 2.520 5 H2* G 1 H2* G 1 8.219 -16.688 4.090 6 2HO* G 1 2HO* G 1 7.569 -18.680 3.960 7 H1* G 1 H1* G 1 10.108 -18.387 5.235 8 H8 G 1 H8 G 1 11.597 -14.969 4.730 9 H1 G 1 H1 G 1 7.511 -15.317 9.677 10 1H2 G 1 1H2 G 1 6.160 -17.141 9.336 11 2H2 G 1 2H2 G 1 6.999 -18.541 8.704 12 1H5* C 2 1H5* C 2 5.951 -16.860 1.067 13 2H5* C 2 2H5* C 2 7.053 -16.531 2.424 14 H4* C 2 H4* C 2 4.715 -18.326 2.935 15 H3* C 2 H3* C 2 4.529 -15.335 2.459 16 H2* C 2 H2* C 2 3.105 -15.117 4.311 17 2HO* C 2 2HO* C 2 2.314 -17.579 3.598 18 H1* C 2 H1* C 2 4.322 -17.067 5.906 19 1H4 C 2 1H4 C 2 6.402 -11.576 8.267 20 2H4 C 2 2H4 C 2 7.536 -11.394 6.951 21 H5 C 2 H5 C 2 7.443 -12.811 4.968 22 H6 C 2 H6 C 2 6.757 -15.032 4.181 23 1H5* C 3 1H5* C 3 0.166 -13.790 1.424 24 2H5* C 3 2H5* C 3 1.330 -12.541 1.905 25 H4* C 3 H4* C 3 -0.408 -14.288 3.635 26 H3* C 3 H3* C 3 0.250 -11.349 3.392 27 H2* C 3 H2* C 3 -0.051 -11.038 5.689 28 2HO* C 3 2HO* C 3 -0.881 -13.553 6.378 29 H1* C 3 H1* C 3 1.045 -13.459 6.507 30 1H4 C 3 1H4 C 3 5.343 -8.687 6.996 31 2H4 C 3 2H4 C 3 6.242 -9.513 5.743 32 H5 C 3 H5 C 3 4.939 -10.830 4.087 33 H6 C 3 H6 C 3 3.125 -12.419 3.879 34 1H5* C 4 1H5* C 4 -3.970 -9.995 4.474 35 2H5* C 4 2H5* C 4 -2.198 -10.038 4.472 36 H4* C 4 H4* C 4 -3.921 -9.636 6.933 37 H3* C 4 H3* C 4 -2.507 -7.658 5.116 38 H2* C 4 H2* C 4 -1.853 -6.396 6.954 39 2HO* C 4 2HO* C 4 -3.191 -7.782 8.920 40 H1* C 4 H1* C 4 -1.397 -8.523 8.686 41 1H4 C 4 1H4 C 4 3.942 -6.241 5.800 42 2H4 C 4 2H4 C 4 4.301 -7.935 5.582 43 H5 C 4 H5 C 4 1.981 -8.839 4.612 44 H6 C 4 H6 C 4 -0.221 -9.281 5.390 45 1H5* U 5 1H5* U 5 -4.824 -4.324 6.160 46 2H5* U 5 2H5* U 5 -3.524 -5.507 6.297 47 H4* U 5 H4* U 5 -4.010 -3.909 8.743 48 H3* U 5 H3* U 5 -2.925 -2.664 6.184 49 H2* U 5 H2* U 5 -1.300 -1.558 7.470 50 2HO* U 5 2HO* U 5 -2.042 -0.666 9.225 51 H1* U 5 H1* U 5 -0.995 -3.607 9.372 52 H3 U 5 H3 U 5 2.867 -2.449 7.128 53 H5 U 5 H5 U 5 1.202 -5.702 5.102 54 H6 U 5 H6 U 5 -0.888 -5.198 6.221 55 1H5* G 6 1H5* G 6 -2.210 -0.160 7.451 56 2H5* G 6 2H5* G 6 -2.576 1.319 8.353 57 H4* G 6 H4* G 6 -1.832 2.693 6.642 58 H3* G 6 H3* G 6 -2.471 0.399 4.750 59 H2* G 6 H2* G 6 -0.867 1.221 3.270 60 2HO* G 6 2HO* G 6 -1.509 3.639 4.443 61 H1* G 6 H1* G 6 0.896 2.199 5.239 62 H8 G 6 H8 G 6 -0.645 -1.337 5.160 63 H1 G 6 H1 G 6 5.269 -0.830 2.686 64 1H2 G 6 1H2 G 6 5.748 1.365 2.383 65 2H2 G 6 2H2 G 6 4.993 2.509 3.476 66 1H5* A 7 1H5* A 7 -4.403 1.407 0.717 67 2H5* A 7 2H5* A 7 -3.288 0.026 0.747 68 H4* A 7 H4* A 7 -2.654 1.525 -1.045 69 H3* A 7 H3* A 7 -0.788 1.665 1.349 70 H2* A 7 H2* A 7 0.540 3.205 0.127 71 2HO* A 7 2HO* A 7 -0.893 2.546 -2.224 72 H1* A 7 H1* A 7 -1.604 4.381 -1.223 73 H8 A 7 H8 A 7 -2.512 4.469 2.360 74 1H6 A 7 1H6 A 7 1.599 8.802 3.362 75 2H6 A 7 2H6 A 7 -0.146 8.779 3.484 76 H2 A 7 H2 A 7 2.084 7.444 -0.994 77 1H5* A 8 1H5* A 8 1.194 0.853 -1.666 78 2H5* A 8 2H5* A 8 2.581 -0.232 -1.912 79 H4* A 8 H4* A 8 3.385 2.001 -2.221 80 H3* A 8 H3* A 8 4.044 0.876 0.521 81 H2* A 8 H2* A 8 5.205 2.856 1.075 82 2HO* A 8 2HO* A 8 5.205 4.462 -0.895 83 H1* A 8 H1* A 8 3.403 4.578 -0.222 84 H8 A 8 H8 A 8 1.354 2.082 1.600 85 1H6 A 8 1H6 A 8 1.496 3.979 6.090 86 2H6 A 8 2H6 A 8 2.282 5.392 6.757 87 H2 A 8 H2 A 8 5.189 6.818 3.647 88 1H5* A 9 2H5* A 9 8.668 -0.264 -2.420 89 2H5* A 9 1H5* A 9 7.632 0.539 -1.221 90 H4* A 9 H4* A 9 9.643 1.742 -2.737 91 H3* A 9 H3* A 9 7.257 2.870 -1.245 92 H2* A 9 H2* A 9 7.874 5.028 -2.011 93 2HO* A 9 2HO* A 9 9.888 5.243 -3.225 94 H1* A 9 H1* A 9 8.588 4.169 -4.572 95 H8 A 9 H8 A 9 6.104 5.266 -2.179 96 1H6 A 9 1H6 A 9 2.027 5.580 -6.477 97 2H6 A 9 2H6 A 9 1.771 4.709 -4.982 98 H2 A 9 H2 A 9 5.320 2.628 -7.978 99 1H5* A 10 1H5* A 10 10.187 1.696 3.752 100 2H5* A 10 2H5* A 10 8.471 1.990 3.409 101 H4* A 10 H4* A 10 10.307 4.345 3.679 102 H3* A 10 H3* A 10 9.297 2.604 5.930 103 H2* A 10 H2* A 10 8.679 4.491 7.185 104 2HO* A 10 2HO* A 10 10.720 5.651 5.806 105 H1* A 10 H1* A 10 7.783 6.049 5.056 106 H8 A 10 H8 A 10 6.256 3.026 4.011 107 1H6 A 10 1H6 A 10 2.900 2.163 8.005 108 2H6 A 10 2H6 A 10 1.947 3.629 7.950 109 H2 A 10 H2 A 10 5.592 6.131 9.598 110 1H5* A 11 1H5* A 11 10.529 4.807 9.091 111 2H5* A 11 2H5* A 11 11.116 3.449 10.078 112 H4* A 11 H4* A 11 8.768 4.573 10.570 113 H3* A 11 H3* A 11 9.401 1.614 10.558 114 H2* A 11 H2* A 11 7.141 1.118 11.010 115 2HO* A 11 2HO* A 11 5.669 2.920 11.499 116 H1* A 11 H1* A 11 6.034 3.131 9.458 117 H8 A 11 H8 A 11 8.832 1.534 7.529 118 1H6 A 11 1H6 A 11 4.680 -2.312 5.311 119 2H6 A 11 2H6 A 11 6.307 -2.584 5.878 120 H2 A 11 H2 A 11 2.871 -0.355 9.030 121 1H5* G 12 1H5* G 12 9.268 -1.423 13.371 122 2H5* G 12 2H5* G 12 9.183 -0.502 11.858 123 H4* G 12 H4* G 12 6.997 0.226 13.619 124 H3* G 12 H3* G 12 7.371 -2.707 13.015 125 H2* G 12 H2* G 12 5.069 -2.884 12.498 126 2HO* G 12 2HO* G 12 3.666 -1.784 13.582 127 H1* G 12 H1* G 12 4.848 -0.392 11.240 128 H8 G 12 H8 G 12 7.848 -1.446 9.614 129 H1 G 12 H1 G 12 3.036 -5.434 8.124 130 1H2 G 12 1H2 G 12 1.200 -4.804 9.334 131 2H2 G 12 2H2 G 12 1.558 -4.362 10.989 132 1H5* G 13 1H5* G 13 4.333 -2.911 15.693 133 2H5* G 13 2H5* G 13 4.714 -3.822 17.171 134 H4* G 13 H4* G 13 2.684 -4.749 16.317 135 H3* G 13 H3* G 13 5.096 -6.418 15.587 136 H2* G 13 H2* G 13 3.704 -7.894 14.424 137 2HO* G 13 2HO* G 13 1.236 -7.087 14.817 138 H1* G 13 H1* G 13 1.907 -6.000 13.444 139 H8 G 13 H8 G 13 5.441 -4.814 12.953 140 H1 G 13 H1 G 13 3.521 -9.130 8.593 141 1H2 G 13 1H2 G 13 1.465 -9.838 9.119 142 2H2 G 13 2H2 G 13 0.953 -9.784 10.792 143 1H5* G 14 1H5* G 14 1.083 -9.053 17.346 144 2H5* G 14 2H5* G 14 2.162 -10.105 18.291 145 H4* G 14 H4* G 14 0.492 -11.342 16.846 146 H3* G 14 H3* G 14 3.457 -11.721 16.355 147 H2* G 14 H2* G 14 2.929 -13.310 14.682 148 2HO* G 14 2HO* G 14 0.569 -13.519 16.115 149 H1* G 14 H1* G 14 0.730 -11.931 13.666 150 H8 G 14 H8 G 14 3.428 -9.436 14.315 151 H1 G 14 H1 G 14 4.493 -13.001 9.061 152 1H2 G 14 1H2 G 14 2.699 -14.440 8.847 153 2H2 G 14 2H2 G 14 2.254 -15.176 10.370 154 1H5* C 15 1H5* C 15 1.743 -15.238 16.497 155 2H5* C 15 2H5* C 15 2.423 -16.469 17.588 156 H4* C 15 H4* C 15 2.188 -17.487 15.419 157 H3* C 15 H3* C 15 5.054 -16.693 16.020 158 H2* C 15 H2* C 15 5.688 -17.645 13.959 159 2HO* C 15 2HO* C 15 4.135 -19.539 14.493 160 H1* C 15 H1* C 15 3.308 -16.970 12.606 161 1H4 C 15 1H4 C 15 7.780 -13.091 10.350 162 2H4 C 15 2H4 C 15 7.956 -12.297 11.904 163 H5 C 15 H5 C 15 6.298 -12.686 13.681 164 H6 C 15 H6 C 15 4.605 -14.205 14.501 165 2H ASP 2 2H ASP 2 9.921 -11.532 -1.726 166 1H ASP 2 1H ASP 2 9.698 -13.215 -1.686 167 3H ASP 2 3H ASP 2 11.177 -12.540 -1.195 168 HA ASP 2 HA ASP 2 10.105 -13.045 0.818 169 1HB ASP 2 1HB ASP 2 9.388 -10.176 0.166 170 2HB ASP 2 2HB ASP 2 9.845 -10.833 1.735 171 H ALA 3 H ALA 3 8.001 -11.668 2.009 172 HA ALA 3 HA ALA 3 5.629 -12.782 0.551 173 1HB ALA 3 1HB ALA 3 6.269 -13.890 2.669 174 2HB ALA 3 2HB ALA 3 6.133 -12.345 3.508 175 3HB ALA 3 3HB ALA 3 4.699 -13.100 2.812 176 H GLN 4 H GLN 4 6.750 -10.088 2.594 177 HA GLN 4 HA GLN 4 4.279 -8.598 2.390 178 1HB GLN 4 1HB GLN 4 6.074 -8.336 4.142 179 2HB GLN 4 2HB GLN 4 7.113 -7.632 2.906 180 1HG GLN 4 1HG GLN 4 5.363 -5.882 2.501 181 2HG GLN 4 2HG GLN 4 4.450 -6.541 3.859 182 1HE2 GLN 4 2HE2 GLN 4 5.867 -3.856 3.534 183 2HE2 GLN 4 1HE2 GLN 4 6.899 -3.755 4.877 184 H THR 5 H THR 5 7.467 -8.109 0.872 185 HA THR 5 HA THR 5 6.764 -6.100 -0.972 186 HB THR 5 HB THR 5 8.559 -8.517 -1.393 187 HG1 THR 5 HG1 THR 5 9.090 -5.947 -0.312 188 1HG2 THR 5 1HG2 THR 5 8.280 -5.840 -2.740 189 2HG2 THR 5 2HG2 THR 5 9.793 -6.747 -2.809 190 3HG2 THR 5 3HG2 THR 5 8.313 -7.443 -3.475 191 H ARG 6 H ARG 6 6.205 -9.572 -1.010 192 HA ARG 6 HA ARG 6 5.067 -9.743 -3.681 193 1HB ARG 6 1HB ARG 6 5.632 -11.398 -1.366 194 2HB ARG 6 2HB ARG 6 3.995 -11.712 -1.951 195 1HG ARG 6 1HG ARG 6 5.729 -11.518 -4.228 196 2HG ARG 6 2HG ARG 6 6.476 -12.617 -3.068 197 1HD ARG 6 1HD ARG 6 3.586 -12.819 -3.989 198 2HD ARG 6 2HD ARG 6 4.917 -13.814 -4.614 199 HE ARG 6 HE ARG 6 5.057 -13.992 -1.806 200 1HH1 ARG 6 1HH1 ARG 6 2.822 -14.760 -4.349 201 2HH1 ARG 6 2HH1 ARG 6 2.122 -16.090 -3.491 202 1HH2 ARG 6 1HH2 ARG 6 4.137 -15.725 -0.699 203 2HH2 ARG 6 2HH2 ARG 6 2.860 -16.635 -1.437 204 H ARG 7 H ARG 7 3.822 -9.528 -0.367 205 HA ARG 7 HA ARG 7 1.064 -9.626 -0.971 206 1HB ARG 7 1HB ARG 7 1.713 -9.860 1.275 207 2HB ARG 7 2HB ARG 7 2.804 -8.483 1.192 208 1HG ARG 7 1HG ARG 7 0.577 -7.117 0.800 209 2HG ARG 7 2HG ARG 7 -0.174 -8.520 1.559 210 1HD ARG 7 1HD ARG 7 0.509 -7.832 3.598 211 2HD ARG 7 2HD ARG 7 2.190 -7.730 3.041 212 HE ARG 7 HE ARG 7 0.321 -5.498 3.187 213 1HH1 ARG 7 1HH1 ARG 7 3.061 -6.831 1.542 214 2HH1 ARG 7 2HH1 ARG 7 3.635 -5.298 1.008 215 1HH2 ARG 7 1HH2 ARG 7 1.071 -3.507 2.491 216 2HH2 ARG 7 2HH2 ARG 7 2.514 -3.418 1.542 217 H ARG 8 H ARG 8 3.384 -6.972 -1.054 218 HA ARG 8 HA ARG 8 1.670 -4.728 -1.300 219 1HB ARG 8 1HB ARG 8 4.292 -5.049 -1.236 220 2HB ARG 8 2HB ARG 8 4.142 -5.099 -2.990 221 1HG ARG 8 1HG ARG 8 4.515 -2.817 -2.543 222 2HG ARG 8 2HG ARG 8 2.764 -2.919 -2.727 223 1HD ARG 8 1HD ARG 8 3.417 -1.588 -0.713 224 2HD ARG 8 2HD ARG 8 2.505 -3.044 -0.274 225 HE ARG 8 HE ARG 8 4.472 -3.918 0.704 226 1HH1 ARG 8 1HH1 ARG 8 5.209 -1.313 -1.464 227 2HH1 ARG 8 2HH1 ARG 8 6.887 -1.290 -1.048 228 1HH2 ARG 8 1HH2 ARG 8 6.653 -3.877 1.237 229 2HH2 ARG 8 2HH2 ARG 8 7.702 -2.731 0.471 230 H GLU 9 H GLU 9 2.776 -7.053 -3.731 231 HA GLU 9 HA GLU 9 1.468 -5.803 -5.968 232 1HB GLU 9 1HB GLU 9 2.057 -8.732 -5.379 233 2HB GLU 9 2HB GLU 9 1.718 -8.066 -6.977 234 1HG GLU 9 1HG GLU 9 3.847 -6.591 -5.638 235 2HG GLU 9 2HG GLU 9 4.238 -8.305 -5.782 236 H ARG 10 H ARG 10 0.477 -7.947 -3.403 237 HA ARG 10 HA ARG 10 -2.217 -8.395 -4.419 238 1HB ARG 10 1HB ARG 10 -0.479 -9.254 -2.270 239 2HB ARG 10 2HB ARG 10 -2.045 -8.782 -1.612 240 1HG ARG 10 1HG ARG 10 -3.150 -10.496 -2.650 241 2HG ARG 10 2HG ARG 10 -2.122 -10.424 -4.082 242 1HD ARG 10 1HD ARG 10 -0.286 -11.291 -2.311 243 2HD ARG 10 2HD ARG 10 -1.743 -11.977 -1.566 244 HE ARG 10 HE ARG 10 -0.603 -12.790 -4.119 245 1HH1 ARG 10 1HH1 ARG 10 -3.523 -12.420 -2.275 246 2HH1 ARG 10 2HH1 ARG 10 -4.377 -13.633 -3.165 247 1HH2 ARG 10 1HH2 ARG 10 -1.724 -14.365 -5.267 248 2HH2 ARG 10 2HH2 ARG 10 -3.365 -14.730 -4.850 249 H ARG 11 H ARG 11 -0.532 -5.839 -2.824 250 HA ARG 11 HA ARG 11 -2.989 -4.725 -1.614 251 1HB ARG 11 1HB ARG 11 -0.124 -3.753 -1.833 252 2HB ARG 11 2HB ARG 11 -1.405 -2.896 -0.983 253 1HG ARG 11 1HG ARG 11 -0.295 -5.636 -0.310 254 2HG ARG 11 2HG ARG 11 -0.135 -4.168 0.643 255 1HD ARG 11 1HD ARG 11 -2.137 -4.516 1.648 256 2HD ARG 11 2HD ARG 11 -2.943 -4.782 0.094 257 HE ARG 11 HE ARG 11 -1.398 -7.060 0.434 258 1HH1 ARG 11 1HH1 ARG 11 -3.803 -5.395 2.305 259 2HH1 ARG 11 2HH1 ARG 11 -4.372 -6.838 3.074 260 1HH2 ARG 11 1HH2 ARG 11 -2.146 -8.927 1.439 261 2HH2 ARG 11 2HH2 ARG 11 -3.440 -8.827 2.587 262 H ALA 12 H ALA 12 -1.698 -4.843 -4.714 263 HA ALA 12 HA ALA 12 -1.833 -2.177 -5.691 264 1HB ALA 12 1HB ALA 12 -1.195 -4.341 -6.895 265 2HB ALA 12 2HB ALA 12 -2.920 -4.675 -7.051 266 3HB ALA 12 3HB ALA 12 -2.222 -3.256 -7.831 267 H GLU 13 H GLU 13 -4.341 -4.379 -4.630 268 HA GLU 13 HA GLU 13 -6.572 -2.855 -5.725 269 1HB GLU 13 1HB GLU 13 -6.301 -4.987 -3.574 270 2HB GLU 13 2HB GLU 13 -7.846 -4.398 -4.189 271 1HG GLU 13 1HG GLU 13 -7.016 -5.037 -6.516 272 2HG GLU 13 2HG GLU 13 -5.695 -5.885 -5.710 273 H LYS 14 H LYS 14 -4.705 -2.982 -2.719 274 HA LYS 14 HA LYS 14 -6.455 -1.106 -1.288 275 1HB LYS 14 1HB LYS 14 -3.615 -2.116 -0.827 276 2HB LYS 14 2HB LYS 14 -4.589 -1.250 0.364 277 1HG LYS 14 1HG LYS 14 -5.498 -3.835 -0.917 278 2HG LYS 14 2HG LYS 14 -4.575 -3.789 0.587 279 1HD LYS 14 1HD LYS 14 -6.373 -2.135 1.422 280 2HD LYS 14 2HD LYS 14 -7.336 -2.692 0.052 281 1HE LYS 14 1HE LYS 14 -7.321 -4.966 0.858 282 2HE LYS 14 2HE LYS 14 -6.120 -4.570 2.105 283 1HZ LYS 14 1HZ LYS 14 -8.783 -3.273 1.881 284 2HZ LYS 14 2HZ LYS 14 -8.440 -4.555 2.941 285 3HZ LYS 14 3HZ LYS 14 -7.651 -3.062 3.125 286 H GLN 15 H GLN 15 -3.496 -1.103 -3.147 287 HA GLN 15 HA GLN 15 -2.732 1.649 -2.770 288 1HB GLN 15 1HB GLN 15 -1.961 -0.774 -4.214 289 2HB GLN 15 2HB GLN 15 -1.729 0.655 -5.208 290 1HG GLN 15 1HG GLN 15 -0.165 1.581 -3.748 291 2HG GLN 15 2HG GLN 15 -0.799 0.696 -2.362 292 1HE2 GLN 15 2HE2 GLN 15 -0.563 -1.828 -2.621 293 2HE2 GLN 15 1HE2 GLN 15 0.914 -2.371 -3.261 294 H ALA 16 H ALA 16 -4.345 -0.109 -5.419 295 HA ALA 16 HA ALA 16 -4.862 2.231 -7.025 296 1HB ALA 16 1HB ALA 16 -6.150 -0.515 -6.830 297 2HB ALA 16 2HB ALA 16 -6.509 0.639 -8.114 298 3HB ALA 16 3HB ALA 16 -4.881 -0.019 -7.950 299 H GLN 17 H GLN 17 -6.569 0.715 -4.326 300 HA GLN 17 HA GLN 17 -9.027 2.266 -4.712 301 1HB GLN 17 1HB GLN 17 -7.820 0.410 -2.687 302 2HB GLN 17 2HB GLN 17 -9.143 1.447 -2.159 303 1HG GLN 17 1HG GLN 17 -9.843 0.334 -4.704 304 2HG GLN 17 2HG GLN 17 -9.310 -0.978 -3.654 305 1HE2 GLN 17 2HE2 GLN 17 -11.100 2.074 -2.929 306 2HE2 GLN 17 1HE2 GLN 17 -12.405 1.297 -2.171 307 H TRP 18 H TRP 18 -6.064 2.469 -2.842 308 HA TRP 18 HA TRP 18 -6.782 4.875 -1.365 309 1HB TRP 18 1HB TRP 18 -5.101 3.276 -0.561 310 2HB TRP 18 2HB TRP 18 -4.182 3.461 -2.041 311 HD1 TRP 18 HD1 TRP 18 -4.826 5.194 1.272 312 HE1 TRP 18 HE1 TRP 18 -3.273 7.257 1.427 313 HE3 TRP 18 HE3 TRP 18 -2.986 5.244 -3.419 314 HZ2 TRP 18 HZ2 TRP 18 -1.466 8.710 -0.248 315 HZ3 TRP 18 HZ3 TRP 18 -1.371 6.923 -4.135 316 HH2 TRP 18 HH2 TRP 18 -0.592 8.647 -2.577 317 H LYS 19 H LYS 19 -4.712 4.111 -4.124 318 HA LYS 19 HA LYS 19 -3.836 6.729 -4.782 319 1HB LYS 19 1HB LYS 19 -4.309 4.183 -6.357 320 2HB LYS 19 2HB LYS 19 -3.617 5.621 -7.092 321 1HG LYS 19 1HG LYS 19 -1.769 5.597 -5.488 322 2HG LYS 19 2HG LYS 19 -2.460 4.180 -4.697 323 1HD LYS 19 1HD LYS 19 -1.835 2.758 -6.381 324 2HD LYS 19 2HD LYS 19 -2.039 3.985 -7.632 325 1HE LYS 19 1HE LYS 19 0.256 4.016 -7.626 326 2HE LYS 19 2HE LYS 19 0.054 5.031 -6.184 327 1HZ LYS 19 1HZ LYS 19 -0.025 2.081 -5.999 328 2HZ LYS 19 2HZ LYS 19 1.455 2.913 -5.955 329 3HZ LYS 19 3HZ LYS 19 0.279 3.215 -4.772 330 H ALA 20 H ALA 20 -6.731 4.891 -5.582 331 HA ALA 20 HA ALA 20 -7.804 6.598 -7.564 332 1HB ALA 20 1HB ALA 20 -8.764 4.575 -5.618 333 2HB ALA 20 2HB ALA 20 -9.993 5.631 -6.316 334 3HB ALA 20 3HB ALA 20 -8.985 4.638 -7.368 335 H ALA 21 H ALA 21 -7.716 6.841 -4.062 336 HA ALA 21 HA ALA 21 -9.174 9.443 -4.254 337 1HB ALA 21 1HB ALA 21 -10.068 7.270 -2.984 338 2HB ALA 21 2HB ALA 21 -9.002 7.873 -1.715 339 3HB ALA 21 3HB ALA 21 -10.321 8.881 -2.310 340 H ASN 22 H ASN 22 -6.292 8.791 -4.468 341 HA ASN 22 HA ASN 22 -5.327 10.858 -2.599 342 1HB ASN 22 1HB ASN 22 -4.322 7.999 -2.583 343 2HB ASN 22 2HB ASN 22 -3.532 9.339 -1.754 344 1HD2 ASN 22 2HD2 ASN 22 -5.577 6.835 -1.173 345 2HD2 ASN 22 1HD2 ASN 22 -6.462 7.463 0.131 346 HA PRO 23 HA PRO 23 -3.144 10.336 -6.753 347 1HB PRO 23 1HB PRO 23 -4.272 12.471 -8.053 348 2HB PRO 23 2HB PRO 23 -4.941 10.829 -8.147 349 1HG PRO 23 1HG PRO 23 -5.829 13.143 -6.510 350 2HG PRO 23 2HG PRO 23 -6.790 11.895 -7.321 351 1HD PRO 23 1HD PRO 23 -6.248 11.900 -4.640 352 2HD PRO 23 2HD PRO 23 -6.595 10.431 -5.567 353 H LEU 24 H LEU 24 -4.128 12.875 -4.595 354 HA LEU 24 HA LEU 24 -2.226 14.908 -5.202 355 1HB LEU 24 1HB LEU 24 -3.052 15.836 -3.218 356 2HB LEU 24 2HB LEU 24 -4.318 14.657 -3.541 357 HG LEU 24 HG LEU 24 -1.917 14.005 -1.805 358 1HD1 LEU 24 1HD1 LEU 24 -4.460 15.445 -1.154 359 2HD1 LEU 24 2HD1 LEU 24 -3.765 14.351 0.042 360 3HD1 LEU 24 3HD1 LEU 24 -2.828 15.725 -0.546 361 1HD2 LEU 24 1HD2 LEU 24 -3.914 12.391 -2.873 362 2HD2 LEU 24 2HD2 LEU 24 -2.943 11.994 -1.457 363 3HD2 LEU 24 3HD2 LEU 24 -4.525 12.752 -1.263 364 H LEU 25 H LEU 25 -2.039 11.957 -3.316 365 HA LEU 25 HA LEU 25 0.819 12.431 -2.630 366 1HB LEU 25 1HB LEU 25 -1.472 10.716 -1.717 367 2HB LEU 25 2HB LEU 25 0.163 10.094 -1.470 368 HG LEU 25 HG LEU 25 -0.495 12.911 -0.656 369 1HD1 LEU 25 1HD1 LEU 25 -2.148 11.115 0.291 370 2HD1 LEU 25 2HD1 LEU 25 -0.767 10.613 1.267 371 3HD1 LEU 25 3HD1 LEU 25 -1.396 12.255 1.406 372 1HD2 LEU 25 1HD2 LEU 25 1.539 10.799 0.025 373 2HD2 LEU 25 2HD2 LEU 25 1.802 12.473 -0.466 374 3HD2 LEU 25 3HD2 LEU 25 1.217 12.111 1.159 375 H VAL 26 H VAL 26 -0.154 12.036 -5.283 376 HA VAL 26 HA VAL 26 1.348 9.619 -6.110 377 HB VAL 26 HB VAL 26 -1.565 10.095 -6.004 378 1HG1 VAL 26 1HG1 VAL 26 -0.297 9.102 -8.573 379 2HG1 VAL 26 2HG1 VAL 26 -2.003 8.912 -8.162 380 3HG1 VAL 26 3HG1 VAL 26 -1.322 10.526 -8.377 381 1HG2 VAL 26 1HG2 VAL 26 -0.221 8.189 -4.994 382 2HG2 VAL 26 2HG2 VAL 26 -1.633 7.704 -5.932 383 3HG2 VAL 26 3HG2 VAL 26 -0.021 7.567 -6.634 384 H GLY 27 H GLY 27 2.083 9.875 -8.356 385 1HA GLY 27 1HA GLY 27 2.697 12.466 -9.249 386 2HA GLY 27 2HA GLY 27 2.569 11.077 -10.336 387 H VAL 28 H VAL 28 1.490 14.069 -10.298 388 HA VAL 28 HA VAL 28 -1.237 14.317 -10.175 389 HB VAL 28 HB VAL 28 0.541 15.131 -12.502 390 1HG1 VAL 28 1HG1 VAL 28 -2.159 15.264 -12.502 391 2HG1 VAL 28 2HG1 VAL 28 -1.800 16.752 -11.620 392 3HG1 VAL 28 3HG1 VAL 28 -1.148 16.509 -13.241 393 1HG2 VAL 28 1HG2 VAL 28 0.044 16.201 -9.745 394 2HG2 VAL 28 2HG2 VAL 28 1.551 16.125 -10.657 395 3HG2 VAL 28 3HG2 VAL 28 0.342 17.348 -11.051 396 H SER 29 H SER 29 -3.035 13.599 -11.334 397 HA SER 29 HA SER 29 -4.269 12.072 -12.618 398 1HB SER 29 1HB SER 29 -3.626 13.524 -14.412 399 2HB SER 29 2HB SER 29 -1.977 12.902 -14.407 400 HG SER 29 HG SER 29 -2.609 11.347 -15.665 401 H ALA 30 H ALA 30 -2.209 11.080 -10.830 402 HA ALA 30 HA ALA 30 -0.761 9.210 -10.462 403 1HB ALA 30 1HB ALA 30 -3.543 8.757 -10.673 404 2HB ALA 30 2HB ALA 30 -2.756 7.355 -11.397 405 3HB ALA 30 3HB ALA 30 -2.370 7.826 -9.740 406 H LYS 31 H LYS 31 0.873 9.411 -12.099 407 HA LYS 31 HA LYS 31 0.584 7.416 -14.306 408 1HB LYS 31 1HB LYS 31 1.833 9.141 -15.726 409 2HB LYS 31 2HB LYS 31 0.164 9.544 -15.328 410 1HG LYS 31 1HG LYS 31 1.003 10.914 -13.405 411 2HG LYS 31 2HG LYS 31 2.652 10.591 -13.942 412 1HD LYS 31 1HD LYS 31 1.037 11.509 -16.165 413 2HD LYS 31 2HD LYS 31 0.956 12.659 -14.831 414 1HE LYS 31 1HE LYS 31 2.870 13.282 -16.169 415 2HE LYS 31 2HE LYS 31 3.514 12.495 -14.714 416 1HZ LYS 31 1HZ LYS 31 3.424 10.367 -15.968 417 2HZ LYS 31 2HZ LYS 31 3.045 11.246 -17.368 418 3HZ LYS 31 3HZ LYS 31 4.541 11.482 -16.597 419 HA PRO 32 HA PRO 32 4.457 6.613 -12.047 420 1HB PRO 32 1HB PRO 32 4.572 3.956 -12.696 421 2HB PRO 32 2HB PRO 32 3.605 4.581 -11.345 422 1HG PRO 32 1HG PRO 32 2.743 3.781 -14.078 423 2HG PRO 32 2HG PRO 32 1.934 3.539 -12.523 424 1HD PRO 32 1HD PRO 32 1.230 5.484 -14.300 425 2HD PRO 32 2HD PRO 32 0.983 5.621 -12.545 426 H VAL 33 H VAL 33 6.116 7.489 -13.251 427 HA VAL 33 HA VAL 33 7.363 5.971 -15.372 428 HB VAL 33 HB VAL 33 5.355 6.834 -16.536 429 1HG1 VAL 33 1HG1 VAL 33 5.326 8.940 -15.021 430 2HG1 VAL 33 2HG1 VAL 33 6.476 9.610 -16.177 431 3HG1 VAL 33 3HG1 VAL 33 4.864 9.136 -16.711 432 1HG2 VAL 33 1HG2 VAL 33 8.025 8.023 -17.328 433 2HG2 VAL 33 2HG2 VAL 33 7.300 6.526 -17.913 434 3HG2 VAL 33 3HG2 VAL 33 6.603 8.080 -18.369 435 H ASN 34 H ASN 34 6.974 9.060 -13.704 436 HA ASN 34 HA ASN 34 9.476 10.232 -14.549 437 1HB ASN 34 1HB ASN 34 7.193 10.855 -12.947 438 2HB ASN 34 2HB ASN 34 8.623 11.141 -11.957 439 1HD2 ASN 34 2HD2 ASN 34 6.796 12.299 -14.702 440 2HD2 ASN 34 1HD2 ASN 34 7.797 13.621 -15.062 441 H ARG 35 H ARG 35 10.563 7.946 -14.125 442 HA ARG 35 HA ARG 35 11.218 7.268 -11.375 443 1HB ARG 35 1HB ARG 35 11.722 6.338 -14.115 444 2HB ARG 35 2HB ARG 35 13.100 6.092 -13.042 445 1HG ARG 35 1HG ARG 35 11.637 4.138 -12.943 446 2HG ARG 35 2HG ARG 35 11.584 4.989 -11.400 447 1HD ARG 35 1HD ARG 35 9.538 6.253 -12.599 448 2HD ARG 35 2HD ARG 35 9.454 4.713 -13.478 449 HE ARG 35 HE ARG 35 9.838 4.080 -10.747 450 1HH1 ARG 35 1HH1 ARG 35 7.482 5.603 -12.788 451 2HH1 ARG 35 2HH1 ARG 35 6.146 5.149 -11.785 452 1HH2 ARG 35 1HH2 ARG 35 8.099 3.496 -9.451 453 2HH2 ARG 35 2HH2 ARG 35 6.494 3.961 -9.903 454 HA PRO 36 HA PRO 36 15.426 9.266 -12.402 455 1HB PRO 36 1HB PRO 36 15.709 10.638 -14.750 456 2HB PRO 36 2HB PRO 36 16.032 8.899 -14.604 457 1HG PRO 36 1HG PRO 36 13.668 10.297 -15.731 458 2HG PRO 36 2HG PRO 36 14.447 8.795 -16.248 459 1HD PRO 36 1HD PRO 36 12.125 8.917 -14.787 460 2HD PRO 36 2HD PRO 36 13.225 7.521 -14.813 Start of MODEL 24 1 1H5* G 1 1H5* G 1 11.519 -12.999 1.708 2 2H5* G 1 2H5* G 1 13.007 -13.041 2.681 3 H4* G 1 H4* G 1 12.211 -15.717 2.506 4 H3* G 1 H3* G 1 9.815 -13.884 2.825 5 H2* G 1 H2* G 1 8.994 -15.237 4.581 6 2HO* G 1 2HO* G 1 10.593 -17.197 3.355 7 H1* G 1 H1* G 1 11.454 -15.883 5.691 8 H8 G 1 H8 G 1 11.307 -12.217 4.844 9 H1 G 1 H1 G 1 8.107 -13.778 10.190 10 1H2 G 1 1H2 G 1 7.761 -15.984 10.229 11 2H2 G 1 2H2 G 1 8.843 -17.035 9.342 12 1H5* C 2 1H5* C 2 7.411 -18.273 2.784 13 2H5* C 2 2H5* C 2 6.585 -17.662 1.331 14 H4* C 2 H4* C 2 4.993 -18.385 3.105 15 H3* C 2 H3* C 2 5.084 -15.427 2.412 16 H2* C 2 H2* C 2 3.377 -15.030 3.974 17 2HO* C 2 2HO* C 2 2.752 -17.685 3.465 18 H1* C 2 H1* C 2 4.203 -16.963 5.838 19 1H4 C 2 1H4 C 2 6.091 -11.504 8.415 20 2H4 C 2 2H4 C 2 7.241 -11.223 7.131 21 H5 C 2 H5 C 2 7.162 -12.514 5.055 22 H6 C 2 H6 C 2 6.729 -14.808 4.252 23 1H5* C 3 1H5* C 3 0.577 -14.038 1.355 24 2H5* C 3 2H5* C 3 1.678 -12.734 1.826 25 H4* C 3 H4* C 3 0.050 -14.571 3.575 26 H3* C 3 H3* C 3 0.430 -11.582 3.297 27 H2* C 3 H2* C 3 0.065 -11.296 5.596 28 2HO* C 3 2HO* C 3 -1.398 -13.601 5.311 29 H1* C 3 H1* C 3 1.356 -13.615 6.441 30 1H4 C 3 1H4 C 3 5.406 -8.728 7.244 31 2H4 C 3 2H4 C 3 6.128 -9.118 5.700 32 H5 C 3 H5 C 3 5.010 -10.572 4.098 33 H6 C 3 H6 C 3 3.318 -12.284 3.815 34 1H5* C 4 1H5* C 4 -3.453 -11.587 5.264 35 2H5* C 4 2H5* C 4 -4.414 -10.344 4.431 36 H4* C 4 H4* C 4 -4.118 -9.889 6.866 37 H3* C 4 H3* C 4 -2.871 -7.944 4.897 38 H2* C 4 H2* C 4 -2.088 -6.644 6.654 39 2HO* C 4 2HO* C 4 -2.777 -7.262 8.887 40 H1* C 4 H1* C 4 -1.459 -8.739 8.373 41 1H4 C 4 1H4 C 4 4.125 -7.340 5.744 42 2H4 C 4 2H4 C 4 3.413 -7.170 4.161 43 H5 C 4 H5 C 4 1.657 -9.168 4.118 44 H6 C 4 H6 C 4 -0.541 -9.588 5.020 45 1H5* U 5 1H5* U 5 -5.134 -4.628 6.105 46 2H5* U 5 2H5* U 5 -3.796 -5.769 6.206 47 H4* U 5 H4* U 5 -4.270 -4.119 8.633 48 H3* U 5 H3* U 5 -3.204 -2.964 6.025 49 H2* U 5 H2* U 5 -1.592 -1.786 7.271 50 2HO* U 5 2HO* U 5 -3.347 -1.225 8.909 51 H1* U 5 H1* U 5 -1.247 -3.773 9.233 52 H3 U 5 H3 U 5 2.650 -2.802 7.015 53 H5 U 5 H5 U 5 0.702 -5.671 4.665 54 H6 U 5 H6 U 5 -1.249 -5.318 6.013 55 1H5* G 6 1H5* G 6 -2.661 -0.342 7.383 56 2H5* G 6 2H5* G 6 -3.190 1.145 8.186 57 H4* G 6 H4* G 6 -2.180 2.481 6.640 58 H3* G 6 H3* G 6 -2.913 0.372 4.576 59 H2* G 6 H2* G 6 -1.210 1.183 3.192 60 2HO* G 6 2HO* G 6 -1.693 3.547 4.549 61 H1* G 6 H1* G 6 0.564 1.879 5.265 62 H8 G 6 H8 G 6 -1.284 -1.488 4.871 63 H1 G 6 H1 G 6 4.799 -1.401 2.785 64 1H2 G 6 1H2 G 6 5.490 0.753 2.645 65 2H2 G 6 2H2 G 6 4.810 1.877 3.805 66 1H5* A 7 1H5* A 7 -4.561 2.074 0.515 67 2H5* A 7 2H5* A 7 -3.642 0.556 0.479 68 H4* A 7 H4* A 7 -2.745 2.075 -1.184 69 H3* A 7 H3* A 7 -0.967 1.786 1.264 70 H2* A 7 H2* A 7 0.592 3.222 0.207 71 2HO* A 7 2HO* A 7 -0.168 3.729 -2.173 72 H1* A 7 H1* A 7 -1.321 4.766 -1.121 73 H8 A 7 H8 A 7 -2.383 4.768 2.407 74 1H6 A 7 1H6 A 7 0.560 8.597 3.942 75 2H6 A 7 2H6 A 7 2.280 8.278 3.954 76 H2 A 7 H2 A 7 2.830 7.164 -0.473 77 1H5* A 8 1H5* A 8 1.108 0.746 -1.758 78 2H5* A 8 2H5* A 8 2.370 -0.499 -1.841 79 H4* A 8 H4* A 8 3.415 1.659 -2.039 80 H3* A 8 H3* A 8 3.786 0.369 0.677 81 H2* A 8 H2* A 8 5.035 2.239 1.417 82 2HO* A 8 2HO* A 8 5.582 2.494 -1.267 83 H1* A 8 H1* A 8 3.538 4.172 0.063 84 H8 A 8 H8 A 8 1.163 1.767 1.649 85 1H6 A 8 1H6 A 8 1.873 3.496 6.704 86 2H6 A 8 2H6 A 8 1.096 5.033 6.399 87 H2 A 8 H2 A 8 5.080 6.259 4.053 88 1H5* A 9 2H5* A 9 8.345 -1.839 -1.233 89 2H5* A 9 1H5* A 9 7.336 -0.715 -0.298 90 H4* A 9 H4* A 9 9.239 -0.018 -2.209 91 H3* A 9 H3* A 9 6.876 1.481 -1.048 92 H2* A 9 H2* A 9 7.348 3.278 -2.510 93 2HO* A 9 2HO* A 9 9.420 2.716 -3.895 94 H1* A 9 H1* A 9 8.023 1.660 -4.684 95 H8 A 9 H8 A 9 5.536 3.366 -2.658 96 1H6 A 9 1H6 A 9 1.174 1.607 -6.656 97 2H6 A 9 2H6 A 9 1.398 2.306 -5.068 98 H2 A 9 H2 A 9 4.808 -0.963 -7.336 99 1H5* A 10 1H5* A 10 10.171 1.212 3.614 100 2H5* A 10 2H5* A 10 8.428 1.441 3.408 101 H4* A 10 H4* A 10 10.191 3.854 3.694 102 H3* A 10 H3* A 10 9.353 1.970 5.902 103 H2* A 10 H2* A 10 8.766 3.778 7.282 104 2HO* A 10 2HO* A 10 10.790 4.976 6.116 105 H1* A 10 H1* A 10 7.714 5.409 5.283 106 H8 A 10 H8 A 10 6.232 2.317 4.260 107 1H6 A 10 1H6 A 10 2.466 2.082 7.551 108 2H6 A 10 2H6 A 10 2.756 2.004 9.274 109 H2 A 10 H2 A 10 5.732 5.391 9.885 110 1H5* A 11 1H5* A 11 10.786 3.894 8.964 111 2H5* A 11 2H5* A 11 11.397 2.534 9.932 112 H4* A 11 H4* A 11 9.116 3.645 10.573 113 H3* A 11 H3* A 11 9.601 0.666 10.343 114 H2* A 11 H2* A 11 7.341 0.257 10.885 115 2HO* A 11 2HO* A 11 6.015 2.165 11.524 116 H1* A 11 H1* A 11 6.268 2.418 9.525 117 H8 A 11 H8 A 11 8.880 0.763 7.375 118 1H6 A 11 1H6 A 11 4.964 -3.532 5.931 119 2H6 A 11 2H6 A 11 5.439 -2.240 4.854 120 H2 A 11 H2 A 11 2.858 -0.789 9.018 121 1H5* G 12 1H5* G 12 9.688 -2.530 12.823 122 2H5* G 12 2H5* G 12 9.492 -1.433 11.444 123 H4* G 12 H4* G 12 7.417 -0.986 13.424 124 H3* G 12 H3* G 12 7.743 -3.782 12.324 125 H2* G 12 H2* G 12 5.408 -3.892 12.007 126 2HO* G 12 2HO* G 12 4.553 -1.536 12.928 127 H1* G 12 H1* G 12 5.129 -1.257 11.136 128 H8 G 12 H8 G 12 7.980 -2.160 9.167 129 H1 G 12 H1 G 12 2.955 -5.868 7.647 130 1H2 G 12 1H2 G 12 1.234 -5.297 9.085 131 2H2 G 12 2H2 G 12 1.782 -5.144 10.740 132 1H5* G 13 1H5* G 13 4.445 -4.024 17.323 133 2H5* G 13 2H5* G 13 5.671 -5.108 16.669 134 H4* G 13 H4* G 13 2.830 -5.461 16.819 135 H3* G 13 H3* G 13 5.166 -7.047 15.735 136 H2* G 13 H2* G 13 3.739 -8.447 14.580 137 2HO* G 13 2HO* G 13 1.480 -8.505 14.917 138 H1* G 13 H1* G 13 1.854 -6.544 13.843 139 H8 G 13 H8 G 13 5.270 -5.135 13.366 140 H1 G 13 H1 G 13 3.552 -9.273 8.743 141 1H2 G 13 1H2 G 13 1.358 -9.958 9.272 142 2H2 G 13 2H2 G 13 1.338 -10.497 10.937 143 1H5* G 14 1H5* G 14 0.435 -9.358 16.658 144 2H5* G 14 2H5* G 14 0.588 -10.086 18.272 145 H4* G 14 H4* G 14 0.250 -12.009 17.034 146 H3* G 14 H3* G 14 3.219 -11.491 16.719 147 H2* G 14 H2* G 14 3.319 -13.442 15.368 148 2HO* G 14 2HO* G 14 1.005 -14.493 15.206 149 H1* G 14 H1* G 14 0.905 -12.964 14.049 150 H8 G 14 H8 G 14 3.235 -10.004 14.697 151 H1 G 14 H1 G 14 4.388 -13.167 9.220 152 1H2 G 14 1H2 G 14 2.911 -14.833 9.019 153 2H2 G 14 2H2 G 14 2.240 -15.541 10.472 154 1H5* C 15 1H5* C 15 2.830 -15.274 17.093 155 2H5* C 15 2H5* C 15 3.767 -16.025 18.405 156 H4* C 15 H4* C 15 4.321 -17.302 16.499 157 H3* C 15 H3* C 15 6.419 -15.168 16.978 158 H2* C 15 H2* C 15 7.623 -16.017 15.134 159 2HO* C 15 2HO* C 15 7.469 -18.241 15.789 160 H1* C 15 H1* C 15 5.344 -16.771 13.650 161 1H4 C 15 1H4 C 15 7.434 -11.607 10.665 162 2H4 C 15 2H4 C 15 7.414 -10.656 12.141 163 H5 C 15 H5 C 15 6.162 -11.486 14.100 164 H6 C 15 H6 C 15 5.267 -13.468 15.177 165 2H ASP 2 2H ASP 2 8.752 -11.986 -3.196 166 1H ASP 2 1H ASP 2 8.675 -13.596 -2.661 167 3H ASP 2 3H ASP 2 10.152 -12.764 -2.628 168 HA ASP 2 HA ASP 2 9.436 -12.719 -0.403 169 1HB ASP 2 1HB ASP 2 8.439 -10.167 -1.697 170 2HB ASP 2 2HB ASP 2 9.152 -10.342 -0.096 171 H ALA 3 H ALA 3 7.446 -11.108 0.689 172 HA ALA 3 HA ALA 3 4.913 -12.497 -0.122 173 1HB ALA 3 1HB ALA 3 6.011 -13.390 1.945 174 2HB ALA 3 2HB ALA 3 5.880 -11.786 2.664 175 3HB ALA 3 3HB ALA 3 4.424 -12.696 2.267 176 H GLN 4 H GLN 4 6.323 -9.670 1.504 177 HA GLN 4 HA GLN 4 3.846 -8.180 1.614 178 1HB GLN 4 1HB GLN 4 6.322 -8.004 2.743 179 2HB GLN 4 2HB GLN 4 6.486 -6.795 1.472 180 1HG GLN 4 1HG GLN 4 3.950 -6.385 2.687 181 2HG GLN 4 2HG GLN 4 5.114 -6.571 3.981 182 1HE2 GLN 4 2HE2 GLN 4 4.920 -4.879 0.794 183 2HE2 GLN 4 1HE2 GLN 4 5.689 -3.468 1.339 184 H THR 5 H THR 5 6.730 -7.834 -0.460 185 HA THR 5 HA THR 5 5.677 -5.936 -2.277 186 HB THR 5 HB THR 5 7.520 -8.318 -2.708 187 HG1 THR 5 HG1 THR 5 9.008 -7.067 -1.903 188 1HG2 THR 5 1HG2 THR 5 6.833 -5.931 -4.412 189 2HG2 THR 5 2HG2 THR 5 8.374 -6.770 -4.588 190 3HG2 THR 5 3HG2 THR 5 6.862 -7.634 -4.867 191 H ARG 6 H ARG 6 5.153 -9.383 -1.906 192 HA ARG 6 HA ARG 6 3.715 -9.810 -4.393 193 1HB ARG 6 1HB ARG 6 4.541 -11.244 -2.000 194 2HB ARG 6 2HB ARG 6 2.871 -11.639 -2.431 195 1HG ARG 6 1HG ARG 6 4.011 -11.750 -4.886 196 2HG ARG 6 2HG ARG 6 5.399 -12.216 -3.900 197 1HD ARG 6 1HD ARG 6 2.770 -13.514 -3.285 198 2HD ARG 6 2HD ARG 6 3.651 -14.052 -4.729 199 HE ARG 6 HE ARG 6 5.397 -13.791 -2.418 200 1HH1 ARG 6 1HH1 ARG 6 3.103 -15.829 -4.040 201 2HH1 ARG 6 2HH1 ARG 6 3.750 -17.288 -3.371 202 1HH2 ARG 6 1HH2 ARG 6 6.228 -15.692 -1.555 203 2HH2 ARG 6 2HH2 ARG 6 5.510 -17.212 -1.971 204 H ARG 7 H ARG 7 2.777 -9.364 -0.970 205 HA ARG 7 HA ARG 7 -0.034 -9.483 -1.452 206 1HB ARG 7 1HB ARG 7 0.856 -9.697 0.769 207 2HB ARG 7 2HB ARG 7 1.710 -8.158 0.643 208 1HG ARG 7 1HG ARG 7 -0.618 -7.089 0.348 209 2HG ARG 7 2HG ARG 7 -1.264 -8.626 0.917 210 1HD ARG 7 1HD ARG 7 -0.390 -8.350 3.056 211 2HD ARG 7 2HD ARG 7 0.911 -7.286 2.497 212 HE ARG 7 HE ARG 7 -0.592 -5.473 2.632 213 1HH1 ARG 7 1HH1 ARG 7 -2.276 -8.507 2.611 214 2HH1 ARG 7 2HH1 ARG 7 -3.820 -7.786 2.902 215 1HH2 ARG 7 1HH2 ARG 7 -2.607 -4.546 3.012 216 2HH2 ARG 7 2HH2 ARG 7 -4.009 -5.556 3.129 217 H ARG 8 H ARG 8 2.342 -6.926 -1.725 218 HA ARG 8 HA ARG 8 0.693 -4.623 -1.877 219 1HB ARG 8 1HB ARG 8 3.357 -5.276 -2.099 220 2HB ARG 8 2HB ARG 8 2.976 -4.868 -3.766 221 1HG ARG 8 1HG ARG 8 3.796 -2.943 -2.363 222 2HG ARG 8 2HG ARG 8 2.250 -2.665 -3.153 223 1HD ARG 8 1HD ARG 8 2.459 -2.007 -0.638 224 2HD ARG 8 2HD ARG 8 1.044 -2.955 -1.117 225 HE ARG 8 HE ARG 8 3.343 -4.600 -0.371 226 1HH1 ARG 8 1HH1 ARG 8 0.516 -2.925 0.738 227 2HH1 ARG 8 2HH1 ARG 8 0.344 -3.909 2.142 228 1HH2 ARG 8 1HH2 ARG 8 3.102 -5.859 1.444 229 2HH2 ARG 8 2HH2 ARG 8 1.799 -5.564 2.545 230 H GLU 9 H GLU 9 1.591 -6.981 -4.377 231 HA GLU 9 HA GLU 9 0.298 -5.645 -6.557 232 1HB GLU 9 1HB GLU 9 0.682 -8.605 -5.953 233 2HB GLU 9 2HB GLU 9 0.277 -7.952 -7.540 234 1HG GLU 9 1HG GLU 9 2.507 -6.466 -6.701 235 2HG GLU 9 2HG GLU 9 2.870 -8.129 -6.240 236 H ARG 10 H ARG 10 -0.803 -7.559 -3.886 237 HA ARG 10 HA ARG 10 -3.558 -7.819 -4.827 238 1HB ARG 10 1HB ARG 10 -1.812 -8.828 -2.759 239 2HB ARG 10 2HB ARG 10 -3.285 -8.208 -2.018 240 1HG ARG 10 1HG ARG 10 -4.498 -9.949 -2.787 241 2HG ARG 10 2HG ARG 10 -3.873 -9.742 -4.423 242 1HD ARG 10 1HD ARG 10 -1.675 -10.805 -3.406 243 2HD ARG 10 2HD ARG 10 -2.801 -11.451 -2.196 244 HE ARG 10 HE ARG 10 -4.065 -11.911 -4.635 245 1HH1 ARG 10 1HH1 ARG 10 -0.998 -12.700 -3.215 246 2HH1 ARG 10 2HH1 ARG 10 -0.834 -14.175 -4.103 247 1HH2 ARG 10 1HH2 ARG 10 -3.841 -13.830 -5.784 248 2HH2 ARG 10 2HH2 ARG 10 -2.435 -14.814 -5.550 249 H ARG 11 H ARG 11 -1.622 -5.403 -3.373 250 HA ARG 11 HA ARG 11 -3.970 -4.046 -2.154 251 1HB ARG 11 1HB ARG 11 -0.988 -3.483 -2.150 252 2HB ARG 11 2HB ARG 11 -2.198 -2.539 -1.283 253 1HG ARG 11 1HG ARG 11 -1.612 -5.486 -0.847 254 2HG ARG 11 2HG ARG 11 -1.131 -4.182 0.224 255 1HD ARG 11 1HD ARG 11 -3.192 -4.119 1.191 256 2HD ARG 11 2HD ARG 11 -4.001 -4.106 -0.383 257 HE ARG 11 HE ARG 11 -2.837 -6.691 0.083 258 1HH1 ARG 11 1HH1 ARG 11 -5.460 -4.631 1.044 259 2HH1 ARG 11 2HH1 ARG 11 -6.505 -5.950 1.444 260 1HH2 ARG 11 1HH2 ARG 11 -4.203 -8.398 0.607 261 2HH2 ARG 11 2HH2 ARG 11 -5.798 -8.075 1.199 262 H ALA 12 H ALA 12 -2.622 -4.260 -5.184 263 HA ALA 12 HA ALA 12 -2.214 -1.551 -6.017 264 1HB ALA 12 1HB ALA 12 -1.896 -3.755 -7.299 265 2HB ALA 12 2HB ALA 12 -3.637 -3.745 -7.576 266 3HB ALA 12 3HB ALA 12 -2.635 -2.450 -8.227 267 H GLU 13 H GLU 13 -5.103 -3.349 -5.198 268 HA GLU 13 HA GLU 13 -6.988 -1.421 -6.307 269 1HB GLU 13 1HB GLU 13 -7.232 -3.628 -4.228 270 2HB GLU 13 2HB GLU 13 -8.595 -2.799 -4.979 271 1HG GLU 13 1HG GLU 13 -7.242 -3.550 -7.200 272 2HG GLU 13 2HG GLU 13 -6.778 -4.857 -6.110 273 H LYS 14 H LYS 14 -5.326 -1.994 -3.234 274 HA LYS 14 HA LYS 14 -6.836 0.057 -1.775 275 1HB LYS 14 1HB LYS 14 -4.158 -1.306 -1.234 276 2HB LYS 14 2HB LYS 14 -5.154 -0.468 -0.040 277 1HG LYS 14 1HG LYS 14 -5.924 -2.976 -1.564 278 2HG LYS 14 2HG LYS 14 -5.471 -2.894 0.138 279 1HD LYS 14 1HD LYS 14 -7.698 -2.672 0.521 280 2HD LYS 14 2HD LYS 14 -7.470 -1.006 -0.009 281 1HE LYS 14 1HE LYS 14 -8.267 -1.458 -2.185 282 2HE LYS 14 2HE LYS 14 -8.000 -3.204 -2.016 283 1HZ LYS 14 1HZ LYS 14 -9.879 -1.654 -0.318 284 2HZ LYS 14 2HZ LYS 14 -10.360 -2.504 -1.708 285 3HZ LYS 14 3HZ LYS 14 -9.707 -3.343 -0.386 286 H GLN 15 H GLN 15 -3.795 -0.302 -3.467 287 HA GLN 15 HA GLN 15 -2.674 2.291 -2.933 288 1HB GLN 15 1HB GLN 15 -2.183 -0.156 -4.454 289 2HB GLN 15 2HB GLN 15 -1.682 1.259 -5.361 290 1HG GLN 15 1HG GLN 15 -0.099 1.887 -3.767 291 2HG GLN 15 2HG GLN 15 -0.937 1.036 -2.472 292 1HE2 GLN 15 2HE2 GLN 15 -1.065 -1.480 -2.875 293 2HE2 GLN 15 1HE2 GLN 15 0.354 -2.206 -3.463 294 H ALA 16 H ALA 16 -4.348 0.919 -5.776 295 HA ALA 16 HA ALA 16 -4.416 3.399 -7.249 296 1HB ALA 16 1HB ALA 16 -4.733 0.997 -8.070 297 2HB ALA 16 2HB ALA 16 -6.360 1.068 -7.394 298 3HB ALA 16 3HB ALA 16 -5.901 2.160 -8.701 299 H GLN 17 H GLN 17 -6.444 2.029 -4.713 300 HA GLN 17 HA GLN 17 -8.650 3.918 -5.136 301 1HB GLN 17 1HB GLN 17 -7.803 1.862 -3.102 302 2HB GLN 17 2HB GLN 17 -9.085 2.998 -2.688 303 1HG GLN 17 1HG GLN 17 -10.445 2.268 -4.517 304 2HG GLN 17 2HG GLN 17 -9.121 1.337 -5.217 305 1HE2 GLN 17 2HE2 GLN 17 -9.509 -0.854 -4.885 306 2HE2 GLN 17 1HE2 GLN 17 -10.132 -1.530 -3.458 307 H TRP 18 H TRP 18 -5.826 3.587 -3.080 308 HA TRP 18 HA TRP 18 -6.281 6.000 -1.523 309 1HB TRP 18 1HB TRP 18 -4.911 4.123 -0.722 310 2HB TRP 18 2HB TRP 18 -3.864 4.263 -2.121 311 HD1 TRP 18 HD1 TRP 18 -4.499 5.848 1.263 312 HE1 TRP 18 HE1 TRP 18 -2.709 7.672 1.658 313 HE3 TRP 18 HE3 TRP 18 -2.354 5.966 -3.305 314 HZ2 TRP 18 HZ2 TRP 18 -0.626 8.987 0.200 315 HZ3 TRP 18 HZ3 TRP 18 -0.501 7.473 -3.798 316 HH2 TRP 18 HH2 TRP 18 0.384 8.965 -2.076 317 H LYS 19 H LYS 19 -4.167 5.076 -4.196 318 HA LYS 19 HA LYS 19 -2.872 7.569 -4.618 319 1HB LYS 19 1HB LYS 19 -3.542 5.179 -6.352 320 2HB LYS 19 2HB LYS 19 -2.620 6.543 -6.967 321 1HG LYS 19 1HG LYS 19 -1.087 6.213 -4.933 322 2HG LYS 19 2HG LYS 19 -1.860 4.641 -4.761 323 1HD LYS 19 1HD LYS 19 -0.537 3.804 -6.374 324 2HD LYS 19 2HD LYS 19 -1.164 4.994 -7.515 325 1HE LYS 19 1HE LYS 19 0.692 6.316 -7.332 326 2HE LYS 19 2HE LYS 19 0.802 6.070 -5.578 327 1HZ LYS 19 1HZ LYS 19 1.339 3.850 -7.451 328 2HZ LYS 19 2HZ LYS 19 2.561 4.964 -7.064 329 3HZ LYS 19 3HZ LYS 19 1.843 4.030 -5.841 330 H ALA 20 H ALA 20 -5.933 6.234 -5.737 331 HA ALA 20 HA ALA 20 -6.543 8.200 -7.686 332 1HB ALA 20 1HB ALA 20 -8.159 6.446 -5.848 333 2HB ALA 20 2HB ALA 20 -8.936 7.503 -7.025 334 3HB ALA 20 3HB ALA 20 -7.852 6.224 -7.571 335 H ALA 21 H ALA 21 -6.742 8.210 -4.183 336 HA ALA 21 HA ALA 21 -7.796 11.004 -4.294 337 1HB ALA 21 1HB ALA 21 -8.189 8.790 -2.262 338 2HB ALA 21 2HB ALA 21 -8.791 10.436 -2.056 339 3HB ALA 21 3HB ALA 21 -9.410 9.426 -3.364 340 H ASN 22 H ASN 22 -5.016 9.987 -4.306 341 HA ASN 22 HA ASN 22 -3.996 11.755 -2.180 342 1HB ASN 22 1HB ASN 22 -3.364 8.796 -2.317 343 2HB ASN 22 2HB ASN 22 -2.496 9.954 -1.313 344 1HD2 ASN 22 2HD2 ASN 22 -4.880 7.709 -1.111 345 2HD2 ASN 22 1HD2 ASN 22 -5.803 8.358 0.157 346 HA PRO 23 HA PRO 23 -1.453 11.264 -6.126 347 1HB PRO 23 1HB PRO 23 -2.164 13.614 -7.346 348 2HB PRO 23 2HB PRO 23 -3.009 12.082 -7.651 349 1HG PRO 23 1HG PRO 23 -3.792 14.360 -5.910 350 2HG PRO 23 2HG PRO 23 -4.798 13.319 -6.929 351 1HD PRO 23 1HD PRO 23 -4.573 13.033 -4.220 352 2HD PRO 23 2HD PRO 23 -4.975 11.697 -5.312 353 H LEU 24 H LEU 24 -2.388 13.802 -3.921 354 HA LEU 24 HA LEU 24 -0.180 15.585 -4.134 355 1HB LEU 24 1HB LEU 24 -1.085 16.462 -2.154 356 2HB LEU 24 2HB LEU 24 -2.455 15.512 -2.717 357 HG LEU 24 HG LEU 24 -0.375 14.400 -0.806 358 1HD1 LEU 24 1HD1 LEU 24 -1.830 16.513 -0.106 359 2HD1 LEU 24 2HD1 LEU 24 -3.069 15.279 0.132 360 3HD1 LEU 24 3HD1 LEU 24 -1.545 15.182 1.017 361 1HD2 LEU 24 1HD2 LEU 24 -2.378 13.135 -2.256 362 2HD2 LEU 24 2HD2 LEU 24 -1.652 12.507 -0.778 363 3HD2 LEU 24 3HD2 LEU 24 -3.154 13.431 -0.705 364 H LEU 25 H LEU 25 -0.544 12.462 -2.597 365 HA LEU 25 HA LEU 25 2.269 12.536 -1.608 366 1HB LEU 25 1HB LEU 25 -0.290 11.156 -0.942 367 2HB LEU 25 2HB LEU 25 1.169 10.180 -0.766 368 HG LEU 25 HG LEU 25 1.275 12.935 0.354 369 1HD1 LEU 25 1HD1 LEU 25 -1.009 11.706 0.921 370 2HD1 LEU 25 2HD1 LEU 25 0.012 10.804 2.040 371 3HD1 LEU 25 3HD1 LEU 25 -0.112 12.559 2.177 372 1HD2 LEU 25 1HD2 LEU 25 2.997 10.899 0.378 373 2HD2 LEU 25 2HD2 LEU 25 2.856 11.986 1.760 374 3HD2 LEU 25 3HD2 LEU 25 2.046 10.419 1.783 375 H VAL 26 H VAL 26 1.458 12.450 -4.363 376 HA VAL 26 HA VAL 26 2.820 9.989 -5.244 377 HB VAL 26 HB VAL 26 -0.072 10.490 -5.173 378 1HG1 VAL 26 1HG1 VAL 26 1.239 9.946 -7.848 379 2HG1 VAL 26 2HG1 VAL 26 -0.419 9.460 -7.495 380 3HG1 VAL 26 3HG1 VAL 26 0.028 11.167 -7.448 381 1HG2 VAL 26 1HG2 VAL 26 1.711 8.137 -5.877 382 2HG2 VAL 26 2HG2 VAL 26 0.951 8.471 -4.318 383 3HG2 VAL 26 3HG2 VAL 26 -0.045 8.027 -5.707 384 H GLY 27 H GLY 27 4.321 10.871 -6.630 385 1HA GLY 27 1HA GLY 27 5.193 12.135 -8.427 386 2HA GLY 27 2HA GLY 27 3.525 12.410 -8.944 387 H VAL 28 H VAL 28 2.282 13.998 -7.489 388 HA VAL 28 HA VAL 28 3.782 16.489 -7.269 389 HB VAL 28 HB VAL 28 0.986 15.691 -6.404 390 1HG1 VAL 28 1HG1 VAL 28 2.101 17.849 -5.463 391 2HG1 VAL 28 2HG1 VAL 28 1.931 18.468 -7.107 392 3HG1 VAL 28 3HG1 VAL 28 0.501 17.989 -6.193 393 1HG2 VAL 28 1HG2 VAL 28 2.188 16.610 -9.000 394 2HG2 VAL 28 2HG2 VAL 28 0.979 15.359 -8.717 395 3HG2 VAL 28 3HG2 VAL 28 0.529 17.061 -8.611 396 H SER 29 H SER 29 4.190 17.630 -5.271 397 HA SER 29 HA SER 29 4.957 17.696 -3.027 398 1HB SER 29 1HB SER 29 2.219 16.790 -3.240 399 2HB SER 29 2HB SER 29 2.978 16.102 -1.808 400 HG SER 29 HG SER 29 2.084 18.165 -1.395 401 H ALA 30 H ALA 30 4.685 15.794 -0.993 402 HA ALA 30 HA ALA 30 6.698 14.225 -0.586 403 1HB ALA 30 1HB ALA 30 3.941 13.928 -0.124 404 2HB ALA 30 2HB ALA 30 4.482 12.350 -0.695 405 3HB ALA 30 3HB ALA 30 5.246 13.088 0.714 406 H LYS 31 H LYS 31 7.857 14.063 -2.688 407 HA LYS 31 HA LYS 31 6.935 11.790 -4.406 408 1HB LYS 31 1HB LYS 31 7.410 14.237 -5.199 409 2HB LYS 31 2HB LYS 31 9.106 13.770 -5.068 410 1HG LYS 31 1HG LYS 31 8.290 11.653 -6.437 411 2HG LYS 31 2HG LYS 31 6.997 12.745 -6.932 412 1HD LYS 31 1HD LYS 31 8.397 14.060 -8.166 413 2HD LYS 31 2HD LYS 31 9.732 13.882 -7.027 414 1HE LYS 31 1HE LYS 31 9.519 11.322 -7.999 415 2HE LYS 31 2HE LYS 31 9.103 12.287 -9.430 416 1HZ LYS 31 1HZ LYS 31 11.452 12.759 -7.670 417 2HZ LYS 31 2HZ LYS 31 11.513 12.014 -9.196 418 3HZ LYS 31 3HZ LYS 31 11.054 13.645 -9.061 419 HA PRO 32 HA PRO 32 10.456 9.901 -2.222 420 1HB PRO 32 1HB PRO 32 9.679 7.319 -2.691 421 2HB PRO 32 2HB PRO 32 9.025 8.297 -1.361 422 1HG PRO 32 1HG PRO 32 7.829 7.665 -4.011 423 2HG PRO 32 2HG PRO 32 7.055 7.788 -2.424 424 1HD PRO 32 1HD PRO 32 6.942 9.751 -4.318 425 2HD PRO 32 2HD PRO 32 6.819 10.058 -2.571 426 H VAL 33 H VAL 33 12.143 10.325 -3.671 427 HA VAL 33 HA VAL 33 12.193 9.547 -6.435 428 HB VAL 33 HB VAL 33 14.581 10.164 -6.228 429 1HG1 VAL 33 1HG1 VAL 33 12.330 11.777 -5.383 430 2HG1 VAL 33 2HG1 VAL 33 13.795 12.293 -4.547 431 3HG1 VAL 33 3HG1 VAL 33 13.752 12.256 -6.310 432 1HG2 VAL 33 1HG2 VAL 33 13.975 9.629 -3.360 433 2HG2 VAL 33 2HG2 VAL 33 15.464 9.356 -4.263 434 3HG2 VAL 33 3HG2 VAL 33 15.059 10.977 -3.701 435 H ASN 34 H ASN 34 13.351 7.792 -7.428 436 HA ASN 34 HA ASN 34 13.216 5.261 -6.068 437 1HB ASN 34 1HB ASN 34 13.864 6.369 -8.682 438 2HB ASN 34 2HB ASN 34 14.946 5.038 -8.273 439 1HD2 ASN 34 2HD2 ASN 34 11.564 5.887 -8.891 440 2HD2 ASN 34 1HD2 ASN 34 10.997 4.290 -8.991 441 H ARG 35 H ARG 35 15.287 3.804 -6.038 442 HA ARG 35 HA ARG 35 17.602 5.387 -4.971 443 1HB ARG 35 1HB ARG 35 16.532 2.726 -3.974 444 2HB ARG 35 2HB ARG 35 17.800 3.696 -3.226 445 1HG ARG 35 1HG ARG 35 14.942 4.637 -3.610 446 2HG ARG 35 2HG ARG 35 15.567 3.953 -2.111 447 1HD ARG 35 1HD ARG 35 17.154 6.184 -3.287 448 2HD ARG 35 2HD ARG 35 15.583 6.610 -2.580 449 HE ARG 35 HE ARG 35 16.753 4.857 -0.743 450 1HH1 ARG 35 1HH1 ARG 35 17.550 7.894 -2.222 451 2HH1 ARG 35 2HH1 ARG 35 18.466 8.449 -0.864 452 1HH2 ARG 35 1HH2 ARG 35 17.947 5.588 1.017 453 2HH2 ARG 35 2HH2 ARG 35 18.691 7.151 0.961 454 HA PRO 36 HA PRO 36 19.525 2.893 -8.176 455 1HB PRO 36 1HB PRO 36 22.004 4.036 -7.986 456 2HB PRO 36 2HB PRO 36 20.652 4.799 -8.848 457 1HG PRO 36 1HG PRO 36 21.724 5.362 -6.130 458 2HG PRO 36 2HG PRO 36 21.108 6.480 -7.356 459 1HD PRO 36 1HD PRO 36 19.668 5.679 -5.179 460 2HD PRO 36 2HD PRO 36 18.933 6.194 -6.714 Start of MODEL 25 1 1H5* G 1 1H5* G 1 12.200 -16.053 2.248 2 2H5* G 1 2H5* G 1 13.124 -17.565 2.096 3 H4* G 1 H4* G 1 10.986 -18.829 2.010 4 H3* G 1 H3* G 1 9.787 -16.068 2.405 5 H2* G 1 H2* G 1 8.176 -16.979 3.881 6 2HO* G 1 2HO* G 1 7.395 -18.911 3.585 7 H1* G 1 H1* G 1 9.845 -18.856 5.067 8 H8 G 1 H8 G 1 11.557 -15.505 4.709 9 H1 G 1 H1 G 1 7.407 -15.818 9.601 10 1H2 G 1 1H2 G 1 6.010 -17.569 9.249 11 2H2 G 1 2H2 G 1 6.704 -18.971 8.466 12 1H5* C 2 1H5* C 2 6.330 -18.628 2.254 13 2H5* C 2 2H5* C 2 5.516 -18.057 0.779 14 H4* C 2 H4* C 2 3.878 -18.163 2.558 15 H3* C 2 H3* C 2 4.796 -15.333 1.932 16 H2* C 2 H2* C 2 3.273 -14.533 3.541 17 2HO* C 2 2HO* C 2 2.040 -17.080 3.323 18 H1* C 2 H1* C 2 3.547 -16.719 5.301 19 1H4 C 2 1H4 C 2 6.757 -12.105 8.185 20 2H4 C 2 2H4 C 2 7.963 -12.060 6.921 21 H5 C 2 H5 C 2 7.624 -13.221 4.793 22 H6 C 2 H6 C 2 6.566 -15.226 3.830 23 1H5* C 3 1H5* C 3 0.011 -13.037 1.695 24 2H5* C 3 2H5* C 3 1.714 -12.787 2.144 25 H4* C 3 H4* C 3 -0.162 -14.362 3.912 26 H3* C 3 H3* C 3 0.172 -11.360 3.744 27 H2* C 3 H2* C 3 0.187 -11.206 6.092 28 2HO* C 3 2HO* C 3 -0.324 -13.818 6.721 29 H1* C 3 H1* C 3 1.598 -13.564 6.575 30 1H4 C 3 1H4 C 3 5.673 -8.649 6.971 31 2H4 C 3 2H4 C 3 6.090 -8.890 5.291 32 H5 C 3 H5 C 3 4.927 -10.479 3.883 33 H6 C 3 H6 C 3 3.294 -12.281 3.832 34 1H5* C 4 1H5* C 4 -3.019 -11.376 6.259 35 2H5* C 4 2H5* C 4 -4.308 -10.321 5.637 36 H4* C 4 H4* C 4 -3.662 -9.559 7.838 37 H3* C 4 H3* C 4 -2.605 -7.765 5.619 38 H2* C 4 H2* C 4 -1.737 -6.345 7.256 39 2HO* C 4 2HO* C 4 -2.705 -7.506 9.518 40 H1* C 4 H1* C 4 -1.092 -8.385 9.094 41 1H4 C 4 1H4 C 4 4.056 -6.032 6.009 42 2H4 C 4 2H4 C 4 4.411 -7.711 5.700 43 H5 C 4 H5 C 4 2.069 -8.645 4.842 44 H6 C 4 H6 C 4 -0.046 -9.244 5.774 45 1H5* U 5 1H5* U 5 -4.970 -4.462 6.724 46 2H5* U 5 2H5* U 5 -3.563 -5.512 6.884 47 H4* U 5 H4* U 5 -4.097 -3.688 9.174 48 H3* U 5 H3* U 5 -3.094 -2.730 6.461 49 H2* U 5 H2* U 5 -1.514 -1.395 7.576 50 2HO* U 5 2HO* U 5 -2.281 -1.770 10.165 51 H1* U 5 H1* U 5 -1.103 -3.177 9.718 52 H3 U 5 H3 U 5 2.753 -2.222 7.417 53 H5 U 5 H5 U 5 1.020 -5.478 5.441 54 H6 U 5 H6 U 5 -1.011 -4.979 6.631 55 1H5* G 6 1H5* G 6 -2.485 0.021 7.540 56 2H5* G 6 2H5* G 6 -2.998 1.507 8.356 57 H4* G 6 H4* G 6 -2.309 2.852 6.610 58 H3* G 6 H3* G 6 -2.808 0.464 4.804 59 H2* G 6 H2* G 6 -1.222 1.279 3.299 60 2HO* G 6 2HO* G 6 -1.190 3.763 4.672 61 H1* G 6 H1* G 6 0.516 2.374 5.209 62 H8 G 6 H8 G 6 -1.032 -1.159 5.345 63 H1 G 6 H1 G 6 4.973 -0.851 3.067 64 1H2 G 6 1H2 G 6 5.493 1.292 2.630 65 2H2 G 6 2H2 G 6 4.702 2.535 3.578 66 1H5* A 7 1H5* A 7 -4.675 1.639 0.592 67 2H5* A 7 2H5* A 7 -3.638 0.204 0.692 68 H4* A 7 H4* A 7 -2.859 1.585 -1.126 69 H3* A 7 H3* A 7 -1.091 1.765 1.338 70 H2* A 7 H2* A 7 0.347 3.199 0.106 71 2HO* A 7 2HO* A 7 0.752 2.723 -1.883 72 H1* A 7 H1* A 7 -1.684 4.392 -1.388 73 H8 A 7 H8 A 7 -2.739 4.676 2.148 74 1H6 A 7 1H6 A 7 0.966 9.497 2.681 75 2H6 A 7 2H6 A 7 0.432 8.198 3.724 76 H2 A 7 H2 A 7 2.185 7.235 -1.082 77 1H5* A 8 1H5* A 8 0.962 0.543 -1.550 78 2H5* A 8 2H5* A 8 2.303 -0.620 -1.624 79 H4* A 8 H4* A 8 3.214 1.558 -2.047 80 H3* A 8 H3* A 8 3.714 0.623 0.793 81 H2* A 8 H2* A 8 4.994 2.583 1.175 82 2HO* A 8 2HO* A 8 5.140 4.006 -0.889 83 H1* A 8 H1* A 8 3.292 4.259 -0.303 84 H8 A 8 H8 A 8 1.105 2.054 1.731 85 1H6 A 8 1H6 A 8 1.617 4.225 6.181 86 2H6 A 8 2H6 A 8 1.898 5.938 6.395 87 H2 A 8 H2 A 8 5.159 6.776 3.339 88 1H5* A 9 2H5* A 9 8.406 -0.913 -1.920 89 2H5* A 9 1H5* A 9 7.382 0.036 -0.822 90 H4* A 9 H4* A 9 9.439 1.011 -2.452 91 H3* A 9 H3* A 9 7.120 2.368 -1.050 92 H2* A 9 H2* A 9 7.812 4.417 -2.023 93 2HO* A 9 2HO* A 9 10.034 4.251 -1.671 94 H1* A 9 H1* A 9 8.477 3.293 -4.494 95 H8 A 9 H8 A 9 6.032 4.699 -2.211 96 1H6 A 9 1H6 A 9 1.468 3.666 -5.885 97 2H6 A 9 2H6 A 9 2.227 5.228 -5.672 98 H2 A 9 H2 A 9 5.189 1.631 -7.784 99 1H5* A 10 1H5* A 10 9.898 1.399 4.027 100 2H5* A 10 2H5* A 10 8.243 1.766 3.501 101 H4* A 10 H4* A 10 10.178 4.033 3.524 102 H3* A 10 H3* A 10 9.174 2.618 5.993 103 H2* A 10 H2* A 10 8.639 4.657 7.026 104 2HO* A 10 2HO* A 10 10.227 6.047 6.787 105 H1* A 10 H1* A 10 7.729 5.973 4.747 106 H8 A 10 H8 A 10 6.061 2.950 4.057 107 1H6 A 10 1H6 A 10 2.619 2.728 7.545 108 2H6 A 10 2H6 A 10 2.141 3.900 8.751 109 H2 A 10 H2 A 10 5.741 6.526 9.380 110 1H5* A 11 1H5* A 11 10.396 5.153 8.961 111 2H5* A 11 2H5* A 11 11.008 3.863 10.020 112 H4* A 11 H4* A 11 8.652 4.971 10.474 113 H3* A 11 H3* A 11 9.311 2.018 10.589 114 H2* A 11 H2* A 11 7.059 1.525 11.078 115 2HO* A 11 2HO* A 11 5.692 3.642 11.318 116 H1* A 11 H1* A 11 5.922 3.460 9.453 117 H8 A 11 H8 A 11 8.723 1.774 7.590 118 1H6 A 11 1H6 A 11 5.030 -2.888 6.427 119 2H6 A 11 2H6 A 11 5.715 -1.717 5.326 120 H2 A 11 H2 A 11 2.767 -0.018 9.200 121 1H5* G 12 1H5* G 12 9.309 -0.893 13.528 122 2H5* G 12 2H5* G 12 9.187 -0.039 11.980 123 H4* G 12 H4* G 12 6.991 0.699 13.717 124 H3* G 12 H3* G 12 7.447 -2.248 13.262 125 H2* G 12 H2* G 12 5.147 -2.514 12.756 126 2HO* G 12 2HO* G 12 4.127 -0.084 13.126 127 H1* G 12 H1* G 12 4.854 -0.088 11.399 128 H8 G 12 H8 G 12 7.853 -1.087 9.776 129 H1 G 12 H1 G 12 3.127 -5.212 8.385 130 1H2 G 12 1H2 G 12 1.434 -4.918 9.752 131 2H2 G 12 2H2 G 12 1.561 -3.906 11.174 132 1H5* G 13 1H5* G 13 6.402 -4.738 17.192 133 2H5* G 13 2H5* G 13 7.223 -5.709 15.971 134 H4* G 13 H4* G 13 4.419 -5.660 16.781 135 H3* G 13 H3* G 13 6.230 -7.420 15.121 136 H2* G 13 H2* G 13 4.422 -8.388 14.054 137 2HO* G 13 2HO* G 13 2.797 -8.915 15.283 138 H1* G 13 H1* G 13 2.834 -6.129 13.859 139 H8 G 13 H8 G 13 6.091 -4.836 12.933 140 H1 G 13 H1 G 13 3.938 -9.093 8.617 141 1H2 G 13 1H2 G 13 2.052 -10.010 9.368 142 2H2 G 13 2H2 G 13 1.800 -10.108 11.096 143 1H5* G 14 1H5* G 14 1.341 -9.018 16.755 144 2H5* G 14 2H5* G 14 1.664 -10.061 18.158 145 H4* G 14 H4* G 14 0.559 -11.444 16.548 146 H3* G 14 H3* G 14 3.555 -11.894 16.400 147 H2* G 14 H2* G 14 3.121 -13.574 14.779 148 2HO* G 14 2HO* G 14 0.386 -13.439 14.778 149 H1* G 14 H1* G 14 1.080 -12.169 13.497 150 H8 G 14 H8 G 14 4.137 -10.093 14.453 151 H1 G 14 H1 G 14 4.635 -13.211 8.847 152 1H2 G 14 1H2 G 14 2.679 -14.315 8.489 153 2H2 G 14 2H2 G 14 1.935 -15.006 9.913 154 1H5* C 15 1H5* C 15 1.426 -15.466 16.263 155 2H5* C 15 2H5* C 15 2.085 -16.642 17.423 156 H4* C 15 H4* C 15 1.860 -17.731 15.263 157 H3* C 15 H3* C 15 4.728 -17.032 15.966 158 H2* C 15 H2* C 15 5.412 -18.085 13.969 159 2HO* C 15 2HO* C 15 3.850 -19.922 14.465 160 H1* C 15 H1* C 15 3.127 -17.357 12.485 161 1H4 C 15 1H4 C 15 7.763 -13.630 10.312 162 2H4 C 15 2H4 C 15 8.030 -12.928 11.898 163 H5 C 15 H5 C 15 6.313 -13.219 13.649 164 H6 C 15 H6 C 15 4.573 -14.684 14.457 165 2H ASP 2 2H ASP 2 10.540 -9.429 -0.523 166 1H ASP 2 1H ASP 2 10.452 -10.940 -1.296 167 3H ASP 2 3H ASP 2 11.837 -10.517 -0.408 168 HA ASP 2 HA ASP 2 10.662 -11.967 1.010 169 1HB ASP 2 1HB ASP 2 9.857 -9.135 1.727 170 2HB ASP 2 2HB ASP 2 10.189 -10.458 2.840 171 H ALA 3 H ALA 3 8.409 -11.321 2.529 172 HA ALA 3 HA ALA 3 6.239 -12.055 0.642 173 1HB ALA 3 1HB ALA 3 6.424 -11.903 3.668 174 2HB ALA 3 2HB ALA 3 5.071 -12.590 2.770 175 3HB ALA 3 3HB ALA 3 6.658 -13.355 2.695 176 H GLN 4 H GLN 4 7.257 -9.374 2.675 177 HA GLN 4 HA GLN 4 4.702 -8.003 2.697 178 1HB GLN 4 1HB GLN 4 6.691 -7.728 4.279 179 2HB GLN 4 2HB GLN 4 7.500 -6.857 2.979 180 1HG GLN 4 1HG GLN 4 4.791 -5.865 3.440 181 2HG GLN 4 2HG GLN 4 5.795 -5.743 4.881 182 1HE2 GLN 4 2HE2 GLN 4 4.957 -4.048 2.126 183 2HE2 GLN 4 1HE2 GLN 4 6.336 -3.069 1.977 184 H THR 5 H THR 5 7.736 -7.288 0.950 185 HA THR 5 HA THR 5 6.698 -5.354 -0.850 186 HB THR 5 HB THR 5 8.787 -7.541 -1.208 187 HG1 THR 5 HG1 THR 5 8.986 -4.792 -0.535 188 1HG2 THR 5 1HG2 THR 5 8.165 -5.087 -2.863 189 2HG2 THR 5 2HG2 THR 5 9.691 -5.966 -2.972 190 3HG2 THR 5 3HG2 THR 5 8.178 -6.767 -3.397 191 H ARG 6 H ARG 6 6.445 -8.830 -0.717 192 HA ARG 6 HA ARG 6 5.281 -9.263 -3.339 193 1HB ARG 6 1HB ARG 6 6.000 -10.720 -0.921 194 2HB ARG 6 2HB ARG 6 4.424 -11.238 -1.532 195 1HG ARG 6 1HG ARG 6 6.389 -10.909 -3.680 196 2HG ARG 6 2HG ARG 6 6.911 -12.092 -2.480 197 1HD ARG 6 1HD ARG 6 4.149 -12.115 -3.744 198 2HD ARG 6 2HD ARG 6 5.510 -13.091 -4.331 199 HE ARG 6 HE ARG 6 5.268 -13.436 -1.498 200 1HH1 ARG 6 1HH1 ARG 6 3.687 -14.219 -4.489 201 2HH1 ARG 6 2HH1 ARG 6 2.990 -15.679 -3.875 202 1HH2 ARG 6 1HH2 ARG 6 4.354 -15.338 -0.711 203 2HH2 ARG 6 2HH2 ARG 6 3.365 -16.310 -1.748 204 H ARG 7 H ARG 7 4.018 -9.014 -0.003 205 HA ARG 7 HA ARG 7 1.288 -9.373 -0.677 206 1HB ARG 7 1HB ARG 7 2.020 -9.480 1.609 207 2HB ARG 7 2HB ARG 7 2.718 -7.863 1.529 208 1HG ARG 7 1HG ARG 7 0.359 -6.992 1.090 209 2HG ARG 7 2HG ARG 7 -0.221 -8.605 1.501 210 1HD ARG 7 1HD ARG 7 0.378 -8.392 3.740 211 2HD ARG 7 2HD ARG 7 1.640 -7.201 3.398 212 HE ARG 7 HE ARG 7 -0.025 -5.505 3.382 213 1HH1 ARG 7 1HH1 ARG 7 -1.421 -8.673 3.306 214 2HH1 ARG 7 2HH1 ARG 7 -3.034 -8.099 3.545 215 1HH2 ARG 7 1HH2 ARG 7 -2.125 -4.764 3.694 216 2HH2 ARG 7 2HH2 ARG 7 -3.432 -5.899 3.764 217 H ARG 8 H ARG 8 3.389 -6.555 -0.782 218 HA ARG 8 HA ARG 8 1.508 -4.466 -1.117 219 1HB ARG 8 1HB ARG 8 4.248 -4.806 -1.160 220 2HB ARG 8 2HB ARG 8 3.923 -4.442 -2.848 221 1HG ARG 8 1HG ARG 8 4.407 -2.410 -1.455 222 2HG ARG 8 2HG ARG 8 2.846 -2.359 -2.265 223 1HD ARG 8 1HD ARG 8 3.061 -1.737 0.322 224 2HD ARG 8 2HD ARG 8 1.654 -2.630 -0.275 225 HE ARG 8 HE ARG 8 3.890 -4.363 0.471 226 1HH1 ARG 8 1HH1 ARG 8 1.052 -2.691 1.554 227 2HH1 ARG 8 2HH1 ARG 8 0.800 -3.751 2.893 228 1HH2 ARG 8 1HH2 ARG 8 3.550 -5.727 2.208 229 2HH2 ARG 8 2HH2 ARG 8 2.204 -5.458 3.263 230 H GLU 9 H GLU 9 2.854 -6.744 -3.468 231 HA GLU 9 HA GLU 9 1.523 -5.650 -5.766 232 1HB GLU 9 1HB GLU 9 2.257 -8.535 -5.131 233 2HB GLU 9 2HB GLU 9 2.016 -7.860 -6.741 234 1HG GLU 9 1HG GLU 9 3.890 -6.143 -5.750 235 2HG GLU 9 2HG GLU 9 4.348 -7.639 -4.934 236 H ARG 10 H ARG 10 0.631 -7.843 -3.198 237 HA ARG 10 HA ARG 10 -1.990 -8.523 -4.253 238 1HB ARG 10 1HB ARG 10 -0.296 -9.014 -1.906 239 2HB ARG 10 2HB ARG 10 -1.999 -8.845 -1.490 240 1HG ARG 10 1HG ARG 10 -2.523 -10.841 -2.416 241 2HG ARG 10 2HG ARG 10 -1.596 -10.490 -3.875 242 1HD ARG 10 1HD ARG 10 0.366 -10.857 -1.912 243 2HD ARG 10 2HD ARG 10 -0.834 -12.118 -1.575 244 HE ARG 10 HE ARG 10 0.842 -11.976 -3.943 245 1HH1 ARG 10 1HH1 ARG 10 -2.272 -12.897 -2.718 246 2HH1 ARG 10 2HH1 ARG 10 -2.534 -14.085 -3.948 247 1HH2 ARG 10 1HH2 ARG 10 0.491 -13.524 -5.537 248 2HH2 ARG 10 2HH2 ARG 10 -0.980 -14.439 -5.536 249 H ARG 11 H ARG 11 -0.550 -5.814 -2.671 250 HA ARG 11 HA ARG 11 -3.154 -4.797 -1.680 251 1HB ARG 11 1HB ARG 11 -0.309 -3.745 -1.607 252 2HB ARG 11 2HB ARG 11 -1.692 -2.950 -0.856 253 1HG ARG 11 1HG ARG 11 -0.616 -5.707 -0.175 254 2HG ARG 11 2HG ARG 11 -0.505 -4.277 0.833 255 1HD ARG 11 1HD ARG 11 -2.581 -4.657 1.676 256 2HD ARG 11 2HD ARG 11 -3.269 -4.776 0.051 257 HE ARG 11 HE ARG 11 -1.683 -7.113 0.644 258 1HH1 ARG 11 1HH1 ARG 11 -4.735 -5.580 1.266 259 2HH1 ARG 11 2HH1 ARG 11 -5.558 -7.073 1.559 260 1HH2 ARG 11 1HH2 ARG 11 -2.761 -9.045 1.027 261 2HH2 ARG 11 2HH2 ARG 11 -4.447 -9.028 1.425 262 H ALA 12 H ALA 12 -1.725 -4.942 -4.658 263 HA ALA 12 HA ALA 12 -1.747 -2.271 -5.663 264 1HB ALA 12 1HB ALA 12 -1.023 -4.399 -6.833 265 2HB ALA 12 2HB ALA 12 -2.726 -4.812 -7.029 266 3HB ALA 12 3HB ALA 12 -2.069 -3.381 -7.822 267 H GLU 13 H GLU 13 -4.319 -4.453 -4.733 268 HA GLU 13 HA GLU 13 -6.484 -2.960 -5.983 269 1HB GLU 13 1HB GLU 13 -6.395 -4.978 -3.707 270 2HB GLU 13 2HB GLU 13 -7.855 -4.476 -4.560 271 1HG GLU 13 1HG GLU 13 -6.861 -5.308 -6.687 272 2HG GLU 13 2HG GLU 13 -5.463 -5.887 -5.779 273 H LYS 14 H LYS 14 -4.801 -3.006 -2.866 274 HA LYS 14 HA LYS 14 -6.623 -1.095 -1.593 275 1HB LYS 14 1HB LYS 14 -3.834 -2.155 -0.990 276 2HB LYS 14 2HB LYS 14 -4.744 -1.115 0.107 277 1HG LYS 14 1HG LYS 14 -6.048 -3.605 -0.927 278 2HG LYS 14 2HG LYS 14 -4.855 -3.742 0.366 279 1HD LYS 14 1HD LYS 14 -6.486 -1.576 1.109 280 2HD LYS 14 2HD LYS 14 -7.599 -2.804 0.505 281 1HE LYS 14 1HE LYS 14 -5.423 -3.772 2.298 282 2HE LYS 14 2HE LYS 14 -6.719 -2.822 3.052 283 1HZ LYS 14 1HZ LYS 14 -7.266 -5.011 1.130 284 2HZ LYS 14 2HZ LYS 14 -7.158 -5.286 2.801 285 3HZ LYS 14 3HZ LYS 14 -8.355 -4.248 2.188 286 H GLN 15 H GLN 15 -3.541 -1.129 -3.239 287 HA GLN 15 HA GLN 15 -2.806 1.625 -2.943 288 1HB GLN 15 1HB GLN 15 -2.006 -0.836 -4.304 289 2HB GLN 15 2HB GLN 15 -1.710 0.573 -5.308 290 1HG GLN 15 1HG GLN 15 -0.177 1.480 -3.815 291 2HG GLN 15 2HG GLN 15 -0.925 0.687 -2.427 292 1HE2 GLN 15 2HE2 GLN 15 -0.752 -1.815 -2.476 293 2HE2 GLN 15 1HE2 GLN 15 0.716 -2.470 -3.030 294 H ALA 16 H ALA 16 -4.289 -0.175 -5.652 295 HA ALA 16 HA ALA 16 -4.703 2.137 -7.316 296 1HB ALA 16 1HB ALA 16 -4.709 -0.261 -8.036 297 2HB ALA 16 2HB ALA 16 -6.233 -0.490 -7.179 298 3HB ALA 16 3HB ALA 16 -6.157 0.594 -8.567 299 H GLN 17 H GLN 17 -6.529 0.754 -4.634 300 HA GLN 17 HA GLN 17 -8.949 2.318 -5.189 301 1HB GLN 17 1HB GLN 17 -7.876 0.462 -3.107 302 2HB GLN 17 2HB GLN 17 -9.148 1.571 -2.596 303 1HG GLN 17 1HG GLN 17 -9.654 0.242 -5.185 304 2HG GLN 17 2HG GLN 17 -9.611 -0.847 -3.798 305 1HE2 GLN 17 1HE2 GLN 17 -11.917 -1.195 -3.702 306 2HE2 GLN 17 2HE2 GLN 17 -13.004 0.042 -3.288 307 H TRP 18 H TRP 18 -6.088 2.518 -3.164 308 HA TRP 18 HA TRP 18 -6.824 4.983 -1.805 309 1HB TRP 18 1HB TRP 18 -5.213 3.386 -0.874 310 2HB TRP 18 2HB TRP 18 -4.216 3.512 -2.310 311 HD1 TRP 18 HD1 TRP 18 -4.991 5.330 0.920 312 HE1 TRP 18 HE1 TRP 18 -3.437 7.386 1.108 313 HE3 TRP 18 HE3 TRP 18 -2.904 5.262 -3.679 314 HZ2 TRP 18 HZ2 TRP 18 -1.538 8.798 -0.509 315 HZ3 TRP 18 HZ3 TRP 18 -1.243 6.925 -4.344 316 HH2 TRP 18 HH2 TRP 18 -0.535 8.667 -2.783 317 H LYS 19 H LYS 19 -4.618 4.110 -4.424 318 HA LYS 19 HA LYS 19 -3.683 6.701 -5.114 319 1HB LYS 19 1HB LYS 19 -4.065 4.094 -6.607 320 2HB LYS 19 2HB LYS 19 -3.346 5.503 -7.371 321 1HG LYS 19 1HG LYS 19 -1.712 5.566 -5.415 322 2HG LYS 19 2HG LYS 19 -2.296 3.954 -5.009 323 1HD LYS 19 1HD LYS 19 -1.579 4.360 -7.853 324 2HD LYS 19 2HD LYS 19 -0.229 4.423 -6.719 325 1HE LYS 19 1HE LYS 19 -0.788 2.225 -5.838 326 2HE LYS 19 2HE LYS 19 -2.267 2.169 -6.818 327 1HZ LYS 19 1HZ LYS 19 0.435 2.566 -7.976 328 2HZ LYS 19 2HZ LYS 19 -0.290 1.039 -7.836 329 3HZ LYS 19 3HZ LYS 19 -1.009 2.235 -8.806 330 H ALA 20 H ALA 20 -6.549 4.864 -6.009 331 HA ALA 20 HA ALA 20 -7.473 6.525 -8.110 332 1HB ALA 20 1HB ALA 20 -8.736 4.702 -6.082 333 2HB ALA 20 2HB ALA 20 -9.736 5.571 -7.245 334 3HB ALA 20 3HB ALA 20 -8.515 4.432 -7.810 335 H ALA 21 H ALA 21 -7.554 6.872 -4.624 336 HA ALA 21 HA ALA 21 -8.995 9.466 -4.962 337 1HB ALA 21 1HB ALA 21 -9.064 7.439 -2.710 338 2HB ALA 21 2HB ALA 21 -9.890 8.998 -2.667 339 3HB ALA 21 3HB ALA 21 -10.370 7.776 -3.846 340 H ASN 22 H ASN 22 -6.108 8.809 -4.957 341 HA ASN 22 HA ASN 22 -5.294 10.885 -3.026 342 1HB ASN 22 1HB ASN 22 -4.279 8.033 -2.933 343 2HB ASN 22 2HB ASN 22 -3.548 9.378 -2.062 344 1HD2 ASN 22 1HD2 ASN 22 -5.623 6.880 -1.601 345 2HD2 ASN 22 2HD2 ASN 22 -6.597 7.516 -0.364 346 HA PRO 23 HA PRO 23 -2.748 10.376 -6.969 347 1HB PRO 23 1HB PRO 23 -3.849 12.410 -8.441 348 2HB PRO 23 2HB PRO 23 -4.425 10.735 -8.545 349 1HG PRO 23 1HG PRO 23 -5.581 13.048 -7.087 350 2HG PRO 23 2HG PRO 23 -6.394 11.725 -7.936 351 1HD PRO 23 1HD PRO 23 -6.102 11.856 -5.216 352 2HD PRO 23 2HD PRO 23 -6.313 10.343 -6.115 353 H LEU 24 H LEU 24 -4.091 12.921 -5.017 354 HA LEU 24 HA LEU 24 -2.280 15.059 -5.452 355 1HB LEU 24 1HB LEU 24 -3.330 15.922 -3.540 356 2HB LEU 24 2HB LEU 24 -4.483 14.669 -3.980 357 HG LEU 24 HG LEU 24 -2.216 14.167 -2.026 358 1HD1 LEU 24 1HD1 LEU 24 -4.856 15.487 -1.645 359 2HD1 LEU 24 2HD1 LEU 24 -4.353 14.323 -0.419 360 3HD1 LEU 24 3HD1 LEU 24 -3.340 15.723 -0.774 361 1HD2 LEU 24 1HD2 LEU 24 -3.975 12.418 -3.291 362 2HD2 LEU 24 2HD2 LEU 24 -3.106 12.076 -1.798 363 3HD2 LEU 24 3HD2 LEU 24 -4.754 12.706 -1.741 364 H LEU 25 H LEU 25 -2.040 12.135 -3.533 365 HA LEU 25 HA LEU 25 0.699 12.813 -2.594 366 1HB LEU 25 1HB LEU 25 -1.538 10.949 -1.888 367 2HB LEU 25 2HB LEU 25 0.100 10.379 -1.563 368 HG LEU 25 HG LEU 25 -0.563 13.159 -0.713 369 1HD1 LEU 25 1HD1 LEU 25 -2.417 11.313 -0.075 370 2HD1 LEU 25 2HD1 LEU 25 -1.248 10.985 1.204 371 3HD1 LEU 25 3HD1 LEU 25 -1.943 12.598 1.038 372 1HD2 LEU 25 1HD2 LEU 25 1.662 11.799 -0.469 373 2HD2 LEU 25 2HD2 LEU 25 1.091 12.752 0.902 374 3HD2 LEU 25 3HD2 LEU 25 0.829 11.008 0.869 375 H VAL 26 H VAL 26 0.062 12.452 -5.317 376 HA VAL 26 HA VAL 26 1.794 10.183 -6.044 377 HB VAL 26 HB VAL 26 -1.165 10.389 -6.150 378 1HG1 VAL 26 1HG1 VAL 26 -0.609 10.764 -8.557 379 2HG1 VAL 26 2HG1 VAL 26 0.253 9.225 -8.563 380 3HG1 VAL 26 3HG1 VAL 26 -1.483 9.262 -8.266 381 1HG2 VAL 26 1HG2 VAL 26 0.940 8.249 -6.072 382 2HG2 VAL 26 2HG2 VAL 26 -0.376 8.569 -4.941 383 3HG2 VAL 26 3HG2 VAL 26 -0.715 7.819 -6.503 384 H GLY 27 H GLY 27 1.733 10.298 -8.724 385 1HA GLY 27 1HA GLY 27 3.119 12.390 -9.695 386 2HA GLY 27 2HA GLY 27 1.857 11.663 -10.682 387 H VAL 28 H VAL 28 -0.432 12.543 -9.301 388 HA VAL 28 HA VAL 28 -0.740 15.218 -10.312 389 HB VAL 28 HB VAL 28 -2.326 13.467 -8.423 390 1HG1 VAL 28 1HG1 VAL 28 -2.976 16.181 -9.596 391 2HG1 VAL 28 2HG1 VAL 28 -4.224 15.073 -9.023 392 3HG1 VAL 28 3HG1 VAL 28 -3.017 15.699 -7.900 393 1HG2 VAL 28 1HG2 VAL 28 -1.883 13.170 -11.084 394 2HG2 VAL 28 2HG2 VAL 28 -3.385 12.681 -10.300 395 3HG2 VAL 28 3HG2 VAL 28 -3.288 14.236 -11.127 396 H SER 29 H SER 29 -1.163 17.169 -9.034 397 HA SER 29 HA SER 29 -0.555 18.720 -7.351 398 1HB SER 29 1HB SER 29 -2.124 17.064 -6.200 399 2HB SER 29 2HB SER 29 -0.683 16.265 -5.580 400 HG SER 29 HG SER 29 -1.540 18.937 -5.152 401 H ALA 30 H ALA 30 1.010 18.364 -5.068 402 HA ALA 30 HA ALA 30 3.264 18.254 -4.380 403 1HB ALA 30 1HB ALA 30 2.548 15.826 -5.520 404 2HB ALA 30 2HB ALA 30 4.019 16.248 -6.399 405 3HB ALA 30 3HB ALA 30 4.047 16.125 -4.641 406 H LYS 31 H LYS 31 2.625 20.239 -6.245 407 HA LYS 31 HA LYS 31 5.195 21.003 -7.256 408 1HB LYS 31 1HB LYS 31 4.709 20.697 -9.692 409 2HB LYS 31 2HB LYS 31 4.788 19.161 -8.832 410 1HG LYS 31 1HG LYS 31 2.695 18.677 -9.500 411 2HG LYS 31 2HG LYS 31 2.098 20.109 -8.664 412 1HD LYS 31 1HD LYS 31 1.490 20.752 -10.771 413 2HD LYS 31 2HD LYS 31 3.174 21.267 -10.869 414 1HE LYS 31 1HE LYS 31 3.389 19.862 -12.640 415 2HE LYS 31 2HE LYS 31 3.210 18.515 -11.497 416 1HZ LYS 31 1HZ LYS 31 0.936 20.015 -12.684 417 2HZ LYS 31 2HZ LYS 31 1.499 18.524 -13.273 418 3HZ LYS 31 3HZ LYS 31 0.844 18.625 -11.711 419 HA PRO 32 HA PRO 32 1.771 24.145 -7.363 420 1HB PRO 32 1HB PRO 32 2.203 25.382 -4.968 421 2HB PRO 32 2HB PRO 32 1.153 23.964 -5.147 422 1HG PRO 32 1HG PRO 32 3.814 24.176 -3.937 423 2HG PRO 32 2HG PRO 32 2.556 22.959 -3.694 424 1HD PRO 32 1HD PRO 32 4.909 22.751 -5.299 425 2HD PRO 32 2HD PRO 32 3.620 21.549 -5.093 426 H VAL 33 H VAL 33 2.882 25.366 -8.957 427 HA VAL 33 HA VAL 33 4.305 27.724 -8.095 428 HB VAL 33 HB VAL 33 6.026 25.984 -7.685 429 1HG1 VAL 33 1HG1 VAL 33 5.735 25.482 -10.662 430 2HG1 VAL 33 2HG1 VAL 33 6.998 24.796 -9.641 431 3HG1 VAL 33 3HG1 VAL 33 5.311 24.357 -9.373 432 1HG2 VAL 33 1HG2 VAL 33 6.400 28.391 -8.826 433 2HG2 VAL 33 2HG2 VAL 33 7.737 27.291 -8.496 434 3HG2 VAL 33 3HG2 VAL 33 7.044 27.375 -10.116 435 H ASN 34 H ASN 34 2.125 26.955 -9.921 436 HA ASN 34 HA ASN 34 3.273 27.657 -12.591 437 1HB ASN 34 1HB ASN 34 1.745 25.610 -12.019 438 2HB ASN 34 2HB ASN 34 0.441 26.799 -12.019 439 1HD2 ASN 34 2HD2 ASN 34 1.197 24.557 -14.013 440 2HD2 ASN 34 1HD2 ASN 34 1.236 25.348 -15.514 441 H ARG 35 H ARG 35 3.284 29.854 -11.001 442 HA ARG 35 HA ARG 35 1.304 31.594 -12.278 443 1HB ARG 35 1HB ARG 35 0.669 32.360 -9.795 444 2HB ARG 35 2HB ARG 35 -0.196 31.055 -10.600 445 1HG ARG 35 1HG ARG 35 0.370 30.305 -8.374 446 2HG ARG 35 2HG ARG 35 1.394 29.427 -9.504 447 1HD ARG 35 1HD ARG 35 2.702 30.267 -7.559 448 2HD ARG 35 2HD ARG 35 3.240 31.038 -9.063 449 HE ARG 35 HE ARG 35 2.363 33.079 -8.264 450 1HH1 ARG 35 1HH1 ARG 35 1.007 30.388 -6.538 451 2HH1 ARG 35 2HH1 ARG 35 0.150 31.390 -5.417 452 1HH2 ARG 35 1HH2 ARG 35 1.246 34.368 -6.802 453 2HH2 ARG 35 2HH2 ARG 35 0.284 33.631 -5.565 454 HA PRO 36 HA PRO 36 5.374 33.414 -10.813 455 1HB PRO 36 1HB PRO 36 6.482 33.840 -13.277 456 2HB PRO 36 2HB PRO 36 6.707 32.334 -12.367 457 1HG PRO 36 1HG PRO 36 4.885 32.915 -14.642 458 2HG PRO 36 2HG PRO 36 5.800 31.444 -14.273 459 1HD PRO 36 1HD PRO 36 3.121 31.739 -13.790 460 2HD PRO 36 2HD PRO 36 4.177 30.630 -12.888 Start of MODEL 26 1 1H5* G 1 1H5* G 1 11.509 -16.019 1.289 2 2H5* G 1 2H5* G 1 12.610 -17.410 1.431 3 H4* G 1 H4* G 1 10.483 -18.841 1.680 4 H3* G 1 H3* G 1 9.353 -16.056 2.131 5 H2* G 1 H2* G 1 7.996 -16.928 3.861 6 2HO* G 1 2HO* G 1 8.629 -19.551 3.784 7 H1* G 1 H1* G 1 9.920 -18.693 4.835 8 H8 G 1 H8 G 1 11.499 -15.353 4.141 9 H1 G 1 H1 G 1 7.887 -15.467 9.453 10 1H2 G 1 1H2 G 1 7.101 -17.658 9.674 11 2H2 G 1 2H2 G 1 6.464 -18.243 8.153 12 1H5* C 2 1H5* C 2 5.372 -17.065 1.069 13 2H5* C 2 2H5* C 2 6.653 -16.691 2.244 14 H4* C 2 H4* C 2 4.341 -18.358 3.168 15 H3* C 2 H3* C 2 4.224 -15.378 2.575 16 H2* C 2 H2* C 2 3.065 -15.029 4.584 17 2HO* C 2 2HO* C 2 2.233 -16.878 5.783 18 H1* C 2 H1* C 2 4.378 -17.006 6.076 19 1H4 C 2 1H4 C 2 6.881 -11.544 8.076 20 2H4 C 2 2H4 C 2 7.946 -11.493 6.693 21 H5 C 2 H5 C 2 7.528 -12.885 4.722 22 H6 C 2 H6 C 2 6.609 -15.034 4.005 23 1H5* C 3 2H5* C 3 1.346 -12.823 2.112 24 2H5* C 3 1H5* C 3 2.517 -13.867 2.942 25 H4* C 3 H4* C 3 -0.008 -14.440 4.096 26 H3* C 3 H3* C 3 0.492 -11.497 3.628 27 H2* C 3 H2* C 3 -0.087 -10.978 5.837 28 2HO* C 3 2HO* C 3 -0.944 -12.688 7.231 29 H1* C 3 H1* C 3 1.078 -13.204 7.023 30 1H4 C 3 1H4 C 3 5.441 -8.583 7.559 31 2H4 C 3 2H4 C 3 5.619 -8.511 5.819 32 H5 C 3 H5 C 3 4.994 -10.598 4.611 33 H6 C 3 H6 C 3 3.059 -12.043 4.268 34 1H5* C 4 1H5* C 4 -3.639 -10.179 4.431 35 2H5* C 4 2H5* C 4 -1.887 -10.416 4.577 36 H4* C 4 H4* C 4 -3.628 -10.111 7.019 37 H3* C 4 H3* C 4 -2.552 -7.889 5.244 38 H2* C 4 H2* C 4 -1.912 -6.677 7.142 39 2HO* C 4 2HO* C 4 -2.680 -7.181 9.224 40 H1* C 4 H1* C 4 -1.158 -8.844 8.713 41 1H4 C 4 1H4 C 4 4.435 -6.893 6.501 42 2H4 C 4 2H4 C 4 3.824 -6.768 4.871 43 H5 C 4 H5 C 4 2.045 -8.583 4.511 44 H6 C 4 H6 C 4 -0.036 -9.331 5.352 45 1H5* U 5 1H5* U 5 -4.716 -6.019 8.198 46 2H5* U 5 2H5* U 5 -5.828 -4.808 7.519 47 H4* U 5 H4* U 5 -4.477 -3.703 9.163 48 H3* U 5 H3* U 5 -3.553 -3.082 6.338 49 H2* U 5 H2* U 5 -1.944 -1.636 7.255 50 2HO* U 5 2HO* U 5 -2.254 -1.415 9.775 51 H1* U 5 H1* U 5 -1.513 -3.162 9.584 52 H3 U 5 H3 U 5 2.398 -2.466 7.396 53 H5 U 5 H5 U 5 0.570 -5.596 5.301 54 H6 U 5 H6 U 5 -1.440 -5.108 6.519 55 1H5* G 6 1H5* G 6 -2.710 -0.367 7.134 56 2H5* G 6 2H5* G 6 -3.108 1.057 8.108 57 H4* G 6 H4* G 6 -2.430 2.523 6.431 58 H3* G 6 H3* G 6 -2.962 0.250 4.485 59 H2* G 6 H2* G 6 -1.343 1.130 3.046 60 2HO* G 6 2HO* G 6 -1.680 3.538 4.506 61 H1* G 6 H1* G 6 0.384 2.084 5.045 62 H8 G 6 H8 G 6 -1.215 -1.431 4.881 63 H1 G 6 H1 G 6 4.816 -1.018 2.686 64 1H2 G 6 1H2 G 6 5.360 1.174 2.439 65 2H2 G 6 2H2 G 6 4.627 2.290 3.576 66 1H5* A 7 1H5* A 7 -4.654 1.724 0.302 67 2H5* A 7 2H5* A 7 -3.665 0.250 0.330 68 H4* A 7 H4* A 7 -2.768 1.741 -1.341 69 H3* A 7 H3* A 7 -1.104 1.683 1.199 70 H2* A 7 H2* A 7 0.426 3.157 0.146 71 2HO* A 7 2HO* A 7 0.517 3.443 -2.052 72 H1* A 7 H1* A 7 -1.514 4.527 -1.331 73 H8 A 7 H8 A 7 -2.739 4.555 2.149 74 1H6 A 7 1H6 A 7 1.167 9.177 3.321 75 2H6 A 7 2H6 A 7 0.183 7.970 4.118 76 H2 A 7 H2 A 7 2.372 7.307 -0.602 77 1H5* A 8 1H5* A 8 1.078 0.852 -1.720 78 2H5* A 8 2H5* A 8 2.407 -0.318 -1.841 79 H4* A 8 H4* A 8 3.336 1.882 -2.135 80 H3* A 8 H3* A 8 3.829 0.722 0.623 81 H2* A 8 H2* A 8 5.049 2.655 1.230 82 2HO* A 8 2HO* A 8 5.427 4.278 -0.510 83 H1* A 8 H1* A 8 3.401 4.460 -0.143 84 H8 A 8 H8 A 8 1.182 2.036 1.624 85 1H6 A 8 1H6 A 8 1.111 4.092 6.041 86 2H6 A 8 2H6 A 8 2.046 5.370 6.784 87 H2 A 8 H2 A 8 5.010 6.758 3.717 88 1H5* A 9 2H5* A 9 8.476 -0.647 -2.218 89 2H5* A 9 1H5* A 9 7.450 0.194 -1.037 90 H4* A 9 H4* A 9 9.496 1.339 -2.529 91 H3* A 9 H3* A 9 7.092 2.532 -1.123 92 H2* A 9 H2* A 9 7.774 4.666 -1.906 93 2HO* A 9 2HO* A 9 9.850 4.707 -3.148 94 H1* A 9 H1* A 9 8.543 3.749 -4.431 95 H8 A 9 H8 A 9 6.016 4.935 -2.124 96 1H6 A 9 1H6 A 9 1.899 4.736 -4.930 97 2H6 A 9 2H6 A 9 1.937 4.987 -6.662 98 H2 A 9 H2 A 9 5.346 2.239 -7.907 99 1H5* A 10 1H5* A 10 9.987 1.437 3.946 100 2H5* A 10 2H5* A 10 8.263 1.689 3.598 101 H4* A 10 H4* A 10 10.069 4.075 3.834 102 H3* A 10 H3* A 10 9.020 2.388 6.108 103 H2* A 10 H2* A 10 8.369 4.308 7.294 104 2HO* A 10 2HO* A 10 10.512 5.363 6.405 105 H1* A 10 H1* A 10 7.516 5.799 5.103 106 H8 A 10 H8 A 10 6.035 2.695 4.157 107 1H6 A 10 1H6 A 10 1.601 3.481 7.808 108 2H6 A 10 2H6 A 10 2.553 2.062 8.182 109 H2 A 10 H2 A 10 5.173 6.112 9.533 110 1H5* A 11 1H5* A 11 10.242 4.598 8.990 111 2H5* A 11 2H5* A 11 10.829 3.407 10.173 112 H4* A 11 H4* A 11 8.509 4.521 10.569 113 H3* A 11 H3* A 11 9.047 1.546 10.693 114 H2* A 11 H2* A 11 6.769 1.136 11.145 115 2HO* A 11 2HO* A 11 5.502 3.337 11.346 116 H1* A 11 H1* A 11 5.728 3.105 9.506 117 H8 A 11 H8 A 11 8.504 1.342 7.674 118 1H6 A 11 1H6 A 11 4.663 -3.190 6.418 119 2H6 A 11 2H6 A 11 5.470 -2.051 5.367 120 H2 A 11 H2 A 11 2.470 -0.268 9.178 121 1H5* G 12 1H5* G 12 8.998 -1.324 13.679 122 2H5* G 12 2H5* G 12 8.876 -0.459 12.136 123 H4* G 12 H4* G 12 6.685 0.219 13.935 124 H3* G 12 H3* G 12 7.130 -2.689 13.257 125 H2* G 12 H2* G 12 4.839 -2.917 12.726 126 2HO* G 12 2HO* G 12 3.534 -0.836 13.187 127 H1* G 12 H1* G 12 4.541 -0.397 11.532 128 H8 G 12 H8 G 12 7.550 -1.245 9.875 129 H1 G 12 H1 G 12 2.953 -5.425 8.254 130 1H2 G 12 1H2 G 12 1.270 -5.297 9.650 131 2H2 G 12 2H2 G 12 1.322 -4.295 11.082 132 1H5* G 13 1H5* G 13 4.468 -3.123 16.424 133 2H5* G 13 2H5* G 13 5.096 -4.030 17.817 134 H4* G 13 H4* G 13 3.102 -5.144 17.179 135 H3* G 13 H3* G 13 5.535 -6.506 16.046 136 H2* G 13 H2* G 13 4.173 -8.075 14.984 137 2HO* G 13 2HO* G 13 1.737 -7.797 15.544 138 H1* G 13 H1* G 13 2.095 -6.353 14.319 139 H8 G 13 H8 G 13 5.424 -4.756 13.575 140 H1 G 13 H1 G 13 3.502 -8.973 9.120 141 1H2 G 13 1H2 G 13 1.960 -10.348 10.067 142 2H2 G 13 2H2 G 13 0.868 -9.583 11.200 143 1H5* G 14 1H5* G 14 4.436 -10.202 18.357 144 2H5* G 14 2H5* G 14 4.384 -9.147 16.934 145 H4* G 14 H4* G 14 2.148 -11.102 17.354 146 H3* G 14 H3* G 14 4.952 -11.804 16.456 147 H2* G 14 H2* G 14 4.049 -13.205 14.786 148 2HO* G 14 2HO* G 14 1.849 -13.787 14.770 149 H1* G 14 H1* G 14 1.899 -11.562 14.137 150 H8 G 14 H8 G 14 4.779 -9.271 14.445 151 H1 G 14 H1 G 14 5.070 -12.909 9.137 152 1H2 G 14 1H2 G 14 3.403 -14.383 9.170 153 2H2 G 14 2H2 G 14 2.733 -14.879 10.709 154 1H5* C 15 1H5* C 15 2.960 -15.086 16.815 155 2H5* C 15 2H5* C 15 3.565 -16.434 17.812 156 H4* C 15 H4* C 15 3.063 -17.389 15.689 157 H3* C 15 H3* C 15 6.024 -16.794 15.951 158 H2* C 15 H2* C 15 6.347 -17.727 13.811 159 2HO* C 15 2HO* C 15 3.735 -18.714 13.587 160 H1* C 15 H1* C 15 3.871 -16.876 12.765 161 1H4 C 15 1H4 C 15 8.330 -13.266 10.074 162 2H4 C 15 2H4 C 15 8.657 -12.451 11.591 163 H5 C 15 H5 C 15 7.179 -12.778 13.526 164 H6 C 15 H6 C 15 5.537 -14.229 14.523 165 2H ASP 2 2H ASP 2 9.829 -13.528 -0.703 166 1H ASP 2 1H ASP 2 9.611 -14.674 0.532 167 3H ASP 2 3H ASP 2 11.008 -13.708 0.502 168 HA ASP 2 HA ASP 2 9.659 -12.724 2.148 169 1HB ASP 2 1HB ASP 2 9.136 -11.287 -0.468 170 2HB ASP 2 2HB ASP 2 9.278 -10.558 1.129 171 H ALA 3 H ALA 3 7.441 -11.084 1.689 172 HA ALA 3 HA ALA 3 5.227 -12.702 0.631 173 1HB ALA 3 1HB ALA 3 5.663 -12.218 3.590 174 2HB ALA 3 2HB ALA 3 4.159 -12.831 2.905 175 3HB ALA 3 3HB ALA 3 5.639 -13.777 2.767 176 H GLN 4 H GLN 4 6.176 -9.922 2.637 177 HA GLN 4 HA GLN 4 3.714 -8.462 2.255 178 1HB GLN 4 1HB GLN 4 5.338 -8.048 4.077 179 2HB GLN 4 2HB GLN 4 6.547 -7.566 2.892 180 1HG GLN 4 1HG GLN 4 5.112 -5.702 2.167 181 2HG GLN 4 2HG GLN 4 3.888 -6.181 3.344 182 1HE2 GLN 4 2HE2 GLN 4 5.407 -3.618 3.288 183 2HE2 GLN 4 1HE2 GLN 4 6.234 -3.536 4.765 184 H THR 5 H THR 5 6.952 -8.003 0.855 185 HA THR 5 HA THR 5 6.338 -6.066 -1.089 186 HB THR 5 HB THR 5 8.140 -8.506 -1.309 187 HG1 THR 5 HG1 THR 5 8.700 -5.854 -0.478 188 1HG2 THR 5 1HG2 THR 5 8.066 -5.881 -2.807 189 2HG2 THR 5 2HG2 THR 5 9.411 -7.020 -2.883 190 3HG2 THR 5 3HG2 THR 5 7.819 -7.493 -3.476 191 H ARG 6 H ARG 6 5.683 -9.515 -1.011 192 HA ARG 6 HA ARG 6 4.665 -9.722 -3.740 193 1HB ARG 6 1HB ARG 6 5.111 -11.359 -1.374 194 2HB ARG 6 2HB ARG 6 3.519 -11.682 -2.072 195 1HG ARG 6 1HG ARG 6 4.559 -12.992 -3.595 196 2HG ARG 6 2HG ARG 6 5.252 -11.524 -4.281 197 1HD ARG 6 1HD ARG 6 7.215 -12.664 -3.804 198 2HD ARG 6 2HD ARG 6 6.972 -11.879 -2.231 199 HE ARG 6 HE ARG 6 6.428 -13.990 -1.333 200 1HH1 ARG 6 1HH1 ARG 6 6.093 -13.986 -4.787 201 2HH1 ARG 6 2HH1 ARG 6 5.737 -15.676 -4.873 202 1HH2 ARG 6 1HH2 ARG 6 5.965 -16.190 -1.457 203 2HH2 ARG 6 2HH2 ARG 6 5.665 -16.919 -2.999 204 H ARG 7 H ARG 7 3.310 -9.441 -0.468 205 HA ARG 7 HA ARG 7 0.577 -9.530 -1.194 206 1HB ARG 7 1HB ARG 7 1.281 -9.732 1.097 207 2HB ARG 7 2HB ARG 7 2.107 -8.174 1.044 208 1HG ARG 7 1HG ARG 7 -0.212 -7.158 0.539 209 2HG ARG 7 2HG ARG 7 -0.865 -8.713 1.052 210 1HD ARG 7 1HD ARG 7 -0.300 -8.367 3.255 211 2HD ARG 7 2HD ARG 7 1.140 -7.418 2.853 212 HE ARG 7 HE ARG 7 -0.231 -5.502 2.863 213 1HH1 ARG 7 1HH1 ARG 7 -2.125 -8.366 2.424 214 2HH1 ARG 7 2HH1 ARG 7 -3.629 -7.516 2.468 215 1HH2 ARG 7 1HH2 ARG 7 -2.159 -4.401 2.923 216 2HH2 ARG 7 2HH2 ARG 7 -3.650 -5.261 2.751 217 H ARG 8 H ARG 8 2.917 -6.890 -1.211 218 HA ARG 8 HA ARG 8 1.187 -4.660 -1.524 219 1HB ARG 8 1HB ARG 8 3.852 -5.076 -1.369 220 2HB ARG 8 2HB ARG 8 3.719 -4.851 -3.111 221 1HG ARG 8 1HG ARG 8 4.049 -2.660 -2.362 222 2HG ARG 8 2HG ARG 8 2.292 -2.752 -2.477 223 1HD ARG 8 1HD ARG 8 3.066 -1.739 -0.312 224 2HD ARG 8 2HD ARG 8 2.133 -3.228 -0.067 225 HE ARG 8 HE ARG 8 4.107 -4.279 0.698 226 1HH1 ARG 8 1HH1 ARG 8 4.845 -1.425 -1.114 227 2HH1 ARG 8 2HH1 ARG 8 6.540 -1.509 -0.783 228 1HH2 ARG 8 1HH2 ARG 8 6.310 -4.386 1.126 229 2HH2 ARG 8 2HH2 ARG 8 7.368 -3.176 0.479 230 H GLU 9 H GLU 9 2.416 -6.988 -3.904 231 HA GLU 9 HA GLU 9 1.302 -5.689 -6.214 232 1HB GLU 9 1HB GLU 9 1.846 -8.608 -5.543 233 2HB GLU 9 2HB GLU 9 1.467 -8.029 -7.165 234 1HG GLU 9 1HG GLU 9 3.581 -6.430 -5.995 235 2HG GLU 9 2HG GLU 9 4.012 -8.139 -5.958 236 H ARG 10 H ARG 10 0.046 -7.720 -3.685 237 HA ARG 10 HA ARG 10 -2.582 -8.113 -4.894 238 1HB ARG 10 1HB ARG 10 -1.029 -8.974 -2.600 239 2HB ARG 10 2HB ARG 10 -2.636 -8.464 -2.086 240 1HG ARG 10 1HG ARG 10 -3.706 -10.037 -3.500 241 2HG ARG 10 2HG ARG 10 -2.237 -10.312 -4.437 242 1HD ARG 10 1HD ARG 10 -1.267 -11.648 -2.774 243 2HD ARG 10 2HD ARG 10 -2.253 -10.928 -1.487 244 HE ARG 10 HE ARG 10 -4.084 -12.093 -3.259 245 1HH1 ARG 10 1HH1 ARG 10 -1.399 -13.120 -1.313 246 2HH1 ARG 10 2HH1 ARG 10 -2.032 -14.712 -1.071 247 1HH2 ARG 10 1HH2 ARG 10 -4.898 -14.161 -2.939 248 2HH2 ARG 10 2HH2 ARG 10 -4.005 -15.301 -1.987 249 H ARG 11 H ARG 11 -0.920 -5.605 -3.260 250 HA ARG 11 HA ARG 11 -3.416 -4.367 -2.262 251 1HB ARG 11 1HB ARG 11 -0.480 -3.624 -2.114 252 2HB ARG 11 2HB ARG 11 -1.783 -2.689 -1.377 253 1HG ARG 11 1HG ARG 11 -0.968 -5.539 -0.712 254 2HG ARG 11 2HG ARG 11 -0.862 -4.144 0.343 255 1HD ARG 11 1HD ARG 11 -3.008 -4.446 1.024 256 2HD ARG 11 2HD ARG 11 -3.587 -4.472 -0.642 257 HE ARG 11 HE ARG 11 -2.147 -6.902 0.074 258 1HH1 ARG 11 1HH1 ARG 11 -5.204 -5.256 0.136 259 2HH1 ARG 11 2HH1 ARG 11 -6.124 -6.718 0.205 260 1HH2 ARG 11 1HH2 ARG 11 -3.356 -8.798 0.165 261 2HH2 ARG 11 2HH2 ARG 11 -5.085 -8.714 0.221 262 H ALA 12 H ALA 12 -1.892 -4.541 -5.216 263 HA ALA 12 HA ALA 12 -1.718 -1.836 -6.122 264 1HB ALA 12 1HB ALA 12 -1.073 -3.922 -7.371 265 2HB ALA 12 2HB ALA 12 -2.783 -4.298 -7.574 266 3HB ALA 12 3HB ALA 12 -2.099 -2.863 -8.336 267 H GLU 13 H GLU 13 -4.457 -3.874 -5.347 268 HA GLU 13 HA GLU 13 -6.472 -2.174 -6.600 269 1HB GLU 13 1HB GLU 13 -6.488 -4.435 -4.575 270 2HB GLU 13 2HB GLU 13 -7.966 -3.665 -5.152 271 1HG GLU 13 1HG GLU 13 -7.578 -4.369 -7.397 272 2HG GLU 13 2HG GLU 13 -5.911 -4.827 -7.041 273 H LYS 14 H LYS 14 -4.910 -2.494 -3.434 274 HA LYS 14 HA LYS 14 -6.702 -0.558 -2.132 275 1HB LYS 14 1HB LYS 14 -4.029 -1.840 -1.435 276 2HB LYS 14 2HB LYS 14 -4.951 -0.821 -0.327 277 1HG LYS 14 1HG LYS 14 -6.134 -3.280 -1.624 278 2HG LYS 14 2HG LYS 14 -5.298 -3.335 -0.070 279 1HD LYS 14 1HD LYS 14 -7.021 -2.340 1.029 280 2HD LYS 14 2HD LYS 14 -7.307 -1.188 -0.276 281 1HE LYS 14 1HE LYS 14 -8.233 -3.303 -1.559 282 2HE LYS 14 2HE LYS 14 -8.431 -3.954 0.080 283 1HZ LYS 14 1HZ LYS 14 -9.468 -1.749 0.648 284 2HZ LYS 14 2HZ LYS 14 -9.528 -1.427 -1.019 285 3HZ LYS 14 3HZ LYS 14 -10.390 -2.741 -0.373 286 H GLN 15 H GLN 15 -3.581 -0.701 -3.679 287 HA GLN 15 HA GLN 15 -2.674 1.975 -3.137 288 1HB GLN 15 1HB GLN 15 -1.943 -0.449 -4.589 289 2HB GLN 15 2HB GLN 15 -1.527 0.981 -5.516 290 1HG GLN 15 1HG GLN 15 -0.032 1.755 -3.904 291 2HG GLN 15 2HG GLN 15 -0.861 0.907 -2.598 292 1HE2 GLN 15 2HE2 GLN 15 -0.830 -1.629 -2.925 293 2HE2 GLN 15 1HE2 GLN 15 0.657 -2.285 -3.421 294 H ALA 16 H ALA 16 -4.128 0.441 -6.019 295 HA ALA 16 HA ALA 16 -4.321 2.892 -7.535 296 1HB ALA 16 1HB ALA 16 -5.873 0.276 -7.648 297 2HB ALA 16 2HB ALA 16 -5.862 1.494 -8.924 298 3HB ALA 16 3HB ALA 16 -4.379 0.631 -8.516 299 H GLN 17 H GLN 17 -6.323 1.433 -5.036 300 HA GLN 17 HA GLN 17 -8.644 3.145 -5.620 301 1HB GLN 17 1HB GLN 17 -7.782 1.146 -3.542 302 2HB GLN 17 2HB GLN 17 -9.140 2.208 -3.179 303 1HG GLN 17 1HG GLN 17 -9.174 0.898 -5.848 304 2HG GLN 17 2HG GLN 17 -9.441 -0.151 -4.457 305 1HE2 GLN 17 2HE2 GLN 17 -11.086 0.953 -2.772 306 2HE2 GLN 17 1HE2 GLN 17 -12.470 1.636 -3.479 307 H TRP 18 H TRP 18 -5.862 3.059 -3.494 308 HA TRP 18 HA TRP 18 -6.567 5.435 -1.954 309 1HB TRP 18 1HB TRP 18 -5.098 3.681 -1.071 310 2HB TRP 18 2HB TRP 18 -4.024 3.853 -2.443 311 HD1 TRP 18 HD1 TRP 18 -4.876 5.493 0.866 312 HE1 TRP 18 HE1 TRP 18 -3.204 7.423 1.276 313 HE3 TRP 18 HE3 TRP 18 -2.549 5.593 -3.614 314 HZ2 TRP 18 HZ2 TRP 18 -1.135 8.798 -0.128 315 HZ3 TRP 18 HZ3 TRP 18 -0.752 7.183 -4.065 316 HH2 TRP 18 HH2 TRP 18 -0.029 8.771 -2.357 317 H LYS 19 H LYS 19 -4.308 4.630 -4.546 318 HA LYS 19 HA LYS 19 -3.151 7.190 -4.960 319 1HB LYS 19 1HB LYS 19 -3.657 4.764 -6.702 320 2HB LYS 19 2HB LYS 19 -2.800 6.175 -7.303 321 1HG LYS 19 1HG LYS 19 -1.320 5.905 -5.190 322 2HG LYS 19 2HG LYS 19 -1.962 4.269 -5.143 323 1HD LYS 19 1HD LYS 19 -0.810 5.398 -7.685 324 2HD LYS 19 2HD LYS 19 0.235 4.680 -6.462 325 1HE LYS 19 1HE LYS 19 -1.248 2.618 -6.545 326 2HE LYS 19 2HE LYS 19 -2.021 3.333 -7.972 327 1HZ LYS 19 1HZ LYS 19 0.913 2.989 -7.674 328 2HZ LYS 19 2HZ LYS 19 -0.083 1.891 -8.503 329 3HZ LYS 19 3HZ LYS 19 0.079 3.486 -9.065 330 H ALA 20 H ALA 20 -6.101 5.665 -6.136 331 HA ALA 20 HA ALA 20 -6.800 7.583 -8.102 332 1HB ALA 20 1HB ALA 20 -8.316 5.718 -6.294 333 2HB ALA 20 2HB ALA 20 -9.160 6.741 -7.455 334 3HB ALA 20 3HB ALA 20 -7.994 5.543 -8.020 335 H ALA 21 H ALA 21 -7.056 7.602 -4.601 336 HA ALA 21 HA ALA 21 -8.310 10.311 -4.750 337 1HB ALA 21 1HB ALA 21 -9.308 8.024 -3.611 338 2HB ALA 21 2HB ALA 21 -8.498 8.774 -2.237 339 3HB ALA 21 3HB ALA 21 -9.758 9.651 -3.103 340 H ASN 22 H ASN 22 -5.463 9.448 -4.740 341 HA ASN 22 HA ASN 22 -4.530 11.360 -2.699 342 1HB ASN 22 1HB ASN 22 -3.731 8.434 -2.712 343 2HB ASN 22 2HB ASN 22 -2.957 9.684 -1.738 344 1HD2 ASN 22 2HD2 ASN 22 -5.249 7.312 -1.555 345 2HD2 ASN 22 1HD2 ASN 22 -6.214 7.931 -0.302 346 HA PRO 23 HA PRO 23 -2.049 10.815 -6.669 347 1HB PRO 23 1HB PRO 23 -2.801 13.154 -7.888 348 2HB PRO 23 2HB PRO 23 -3.648 11.616 -8.152 349 1HG PRO 23 1HG PRO 23 -4.385 13.905 -6.404 350 2HG PRO 23 2HG PRO 23 -5.418 12.856 -7.389 351 1HD PRO 23 1HD PRO 23 -5.129 12.584 -4.690 352 2HD PRO 23 2HD PRO 23 -5.534 11.234 -5.764 353 H LEU 24 H LEU 24 -2.937 13.446 -4.547 354 HA LEU 24 HA LEU 24 -0.753 15.218 -4.828 355 1HB LEU 24 1HB LEU 24 -1.626 16.123 -2.851 356 2HB LEU 24 2HB LEU 24 -2.988 15.131 -3.357 357 HG LEU 24 HG LEU 24 -0.846 14.091 -1.477 358 1HD1 LEU 24 1HD1 LEU 24 -3.244 15.797 -0.948 359 2HD1 LEU 24 2HD1 LEU 24 -2.827 14.540 0.217 360 3HD1 LEU 24 3HD1 LEU 24 -1.664 15.811 -0.165 361 1HD2 LEU 24 1HD2 LEU 24 -2.874 12.773 -2.825 362 2HD2 LEU 24 2HD2 LEU 24 -2.136 12.207 -1.328 363 3HD2 LEU 24 3HD2 LEU 24 -3.633 13.139 -1.278 364 H LEU 25 H LEU 25 -1.032 12.162 -3.125 365 HA LEU 25 HA LEU 25 1.804 12.294 -2.219 366 1HB LEU 25 1HB LEU 25 -0.719 10.818 -1.510 367 2HB LEU 25 2HB LEU 25 0.827 10.038 -1.151 368 HG LEU 25 HG LEU 25 0.383 12.898 -0.341 369 1HD1 LEU 25 1HD1 LEU 25 -1.462 11.124 0.438 370 2HD1 LEU 25 2HD1 LEU 25 -0.210 10.718 1.612 371 3HD1 LEU 25 3HD1 LEU 25 -0.849 12.361 1.534 372 1HD2 LEU 25 1HD2 LEU 25 2.215 10.634 0.308 373 2HD2 LEU 25 2HD2 LEU 25 2.569 12.354 0.150 374 3HD2 LEU 25 3HD2 LEU 25 1.815 11.740 1.622 375 H VAL 26 H VAL 26 0.994 12.078 -4.939 376 HA VAL 26 HA VAL 26 2.235 9.500 -5.715 377 HB VAL 26 HB VAL 26 -0.583 10.331 -5.779 378 1HG1 VAL 26 1HG1 VAL 26 0.047 10.884 -8.158 379 2HG1 VAL 26 2HG1 VAL 26 0.480 9.186 -8.375 380 3HG1 VAL 26 3HG1 VAL 26 -1.181 9.632 -7.995 381 1HG2 VAL 26 1HG2 VAL 26 0.609 8.164 -4.971 382 2HG2 VAL 26 2HG2 VAL 26 -0.965 8.030 -5.756 383 3HG2 VAL 26 3HG2 VAL 26 0.507 7.670 -6.662 384 H GLY 27 H GLY 27 2.155 9.760 -8.427 385 1HA GLY 27 1HA GLY 27 4.062 11.387 -9.355 386 2HA GLY 27 2HA GLY 27 2.594 11.186 -10.305 387 H VAL 28 H VAL 28 0.776 12.639 -8.686 388 HA VAL 28 HA VAL 28 1.296 15.339 -9.520 389 HB VAL 28 HB VAL 28 -0.629 14.220 -7.464 390 1HG1 VAL 28 1HG1 VAL 28 -0.046 16.851 -7.842 391 2HG1 VAL 28 2HG1 VAL 28 -1.289 16.622 -9.073 392 3HG1 VAL 28 3HG1 VAL 28 -1.647 16.267 -7.384 393 1HG2 VAL 28 1HG2 VAL 28 -0.648 14.445 -10.459 394 2HG2 VAL 28 2HG2 VAL 28 -1.191 13.111 -9.440 395 3HG2 VAL 28 3HG2 VAL 28 -2.169 14.571 -9.576 396 H SER 29 H SER 29 1.998 17.129 -8.332 397 HA SER 29 HA SER 29 3.247 18.262 -6.696 398 1HB SER 29 1HB SER 29 1.053 16.914 -5.535 399 2HB SER 29 2HB SER 29 2.409 16.665 -4.440 400 HG SER 29 HG SER 29 2.427 18.730 -3.989 401 H ALA 30 H ALA 30 4.702 16.272 -7.985 402 HA ALA 30 HA ALA 30 6.534 15.404 -5.797 403 1HB ALA 30 1HB ALA 30 4.895 13.761 -7.605 404 2HB ALA 30 2HB ALA 30 6.601 13.314 -7.618 405 3HB ALA 30 3HB ALA 30 5.697 13.304 -6.103 406 H LYS 31 H LYS 31 6.844 17.609 -7.464 407 HA LYS 31 HA LYS 31 9.134 16.734 -9.195 408 1HB LYS 31 1HB LYS 31 6.861 18.654 -9.769 409 2HB LYS 31 2HB LYS 31 8.326 18.591 -10.749 410 1HG LYS 31 1HG LYS 31 6.928 16.012 -10.201 411 2HG LYS 31 2HG LYS 31 6.174 17.119 -11.350 412 1HD LYS 31 1HD LYS 31 9.102 16.421 -11.548 413 2HD LYS 31 2HD LYS 31 7.867 15.399 -12.283 414 1HE LYS 31 1HE LYS 31 7.099 17.188 -13.697 415 2HE LYS 31 2HE LYS 31 8.072 18.381 -12.814 416 1HZ LYS 31 1HZ LYS 31 9.269 15.997 -14.104 417 2HZ LYS 31 2HZ LYS 31 9.090 17.473 -14.927 418 3HZ LYS 31 3HZ LYS 31 10.059 17.390 -13.537 419 HA PRO 32 HA PRO 32 10.474 20.040 -6.280 420 1HB PRO 32 1HB PRO 32 12.939 18.961 -5.787 421 2HB PRO 32 2HB PRO 32 11.482 18.486 -4.892 422 1HG PRO 32 1HG PRO 32 12.870 17.092 -7.122 423 2HG PRO 32 2HG PRO 32 12.086 16.420 -5.685 424 1HD PRO 32 1HD PRO 32 10.947 16.441 -8.171 425 2HD PRO 32 2HD PRO 32 10.018 16.418 -6.657 426 H VAL 33 H VAL 33 11.424 21.860 -7.145 427 HA VAL 33 HA VAL 33 12.793 21.691 -9.745 428 HB VAL 33 HB VAL 33 12.224 24.032 -7.892 429 1HG1 VAL 33 1HG1 VAL 33 13.249 23.744 -10.690 430 2HG1 VAL 33 2HG1 VAL 33 12.192 25.108 -10.325 431 3HG1 VAL 33 3HG1 VAL 33 13.705 24.906 -9.444 432 1HG2 VAL 33 1HG2 VAL 33 10.606 22.798 -10.142 433 2HG2 VAL 33 2HG2 VAL 33 10.138 22.924 -8.447 434 3HG2 VAL 33 3HG2 VAL 33 10.262 24.377 -9.438 435 H ASN 34 H ASN 34 14.973 22.410 -10.095 436 HA ASN 34 HA ASN 34 16.875 21.716 -8.032 437 1HB ASN 34 1HB ASN 34 17.210 21.506 -10.493 438 2HB ASN 34 2HB ASN 34 17.201 23.265 -10.626 439 1HD2 ASN 34 2HD2 ASN 34 19.419 23.542 -11.235 440 2HD2 ASN 34 1HD2 ASN 34 20.711 23.128 -10.216 441 H ARG 35 H ARG 35 17.675 23.029 -6.430 442 HA ARG 35 HA ARG 35 16.698 25.642 -5.893 443 1HB ARG 35 1HB ARG 35 19.249 24.217 -5.067 444 2HB ARG 35 2HB ARG 35 18.621 25.667 -4.282 445 1HG ARG 35 1HG ARG 35 17.181 23.004 -4.503 446 2HG ARG 35 2HG ARG 35 17.926 23.659 -3.043 447 1HD ARG 35 1HD ARG 35 16.380 25.707 -3.385 448 2HD ARG 35 2HD ARG 35 15.476 24.667 -4.503 449 HE ARG 35 HE ARG 35 15.574 24.365 -1.605 450 1HH1 ARG 35 1HH1 ARG 35 15.246 22.727 -4.650 451 2HH1 ARG 35 2HH1 ARG 35 14.376 21.394 -3.971 452 1HH2 ARG 35 1HH2 ARG 35 14.443 22.628 -0.735 453 2HH2 ARG 35 2HH2 ARG 35 13.924 21.338 -1.766 454 HA PRO 36 HA PRO 36 19.259 27.617 -9.038 455 1HB PRO 36 1HB PRO 36 17.943 30.013 -9.001 456 2HB PRO 36 2HB PRO 36 17.342 28.595 -9.884 457 1HG PRO 36 1HG PRO 36 16.465 29.716 -7.282 458 2HG PRO 36 2HG PRO 36 15.518 28.927 -8.551 459 1HD PRO 36 1HD PRO 36 16.320 27.718 -6.205 460 2HD PRO 36 2HD PRO 36 15.874 26.854 -7.691 Start of MODEL 27 1 1H5* G 1 1H5* G 1 12.892 -16.052 1.955 2 2H5* G 1 2H5* G 1 12.712 -17.192 0.602 3 H4* G 1 H4* G 1 11.115 -18.329 1.703 4 H3* G 1 H3* G 1 9.845 -15.613 2.195 5 H2* G 1 H2* G 1 8.454 -16.601 3.833 6 2HO* G 1 2HO* G 1 7.695 -18.478 3.125 7 H1* G 1 H1* G 1 10.413 -18.298 4.844 8 H8 G 1 H8 G 1 11.886 -14.887 4.303 9 H1 G 1 H1 G 1 8.021 -15.247 9.422 10 1H2 G 1 1H2 G 1 6.818 -17.105 9.324 11 2H2 G 1 2H2 G 1 7.261 -18.410 8.246 12 1H5* C 2 1H5* C 2 6.030 -16.714 0.941 13 2H5* C 2 2H5* C 2 7.183 -16.409 2.258 14 H4* C 2 H4* C 2 4.859 -18.205 2.830 15 H3* C 2 H3* C 2 4.665 -15.210 2.395 16 H2* C 2 H2* C 2 3.315 -14.999 4.307 17 2HO* C 2 2HO* C 2 2.473 -17.434 3.600 18 H1* C 2 H1* C 2 4.592 -16.946 5.845 19 1H4 C 2 1H4 C 2 6.879 -11.480 8.070 20 2H4 C 2 2H4 C 2 7.977 -11.349 6.718 21 H5 C 2 H5 C 2 7.700 -12.723 4.716 22 H6 C 2 H6 C 2 6.872 -14.874 3.912 23 1H5* C 3 1H5* C 3 0.269 -13.829 1.536 24 2H5* C 3 2H5* C 3 1.329 -12.467 1.936 25 H4* C 3 H4* C 3 -0.203 -14.295 3.771 26 H3* C 3 H3* C 3 0.213 -11.317 3.457 27 H2* C 3 H2* C 3 -0.064 -10.996 5.756 28 2HO* C 3 2HO* C 3 -1.727 -12.094 6.490 29 H1* C 3 H1* C 3 1.240 -13.312 6.576 30 1H4 C 3 1H4 C 3 5.342 -8.451 7.165 31 2H4 C 3 2H4 C 3 5.893 -8.729 5.528 32 H5 C 3 H5 C 3 4.803 -10.312 4.040 33 H6 C 3 H6 C 3 3.107 -12.038 3.855 34 1H5* C 4 1H5* C 4 -4.180 -10.349 4.715 35 2H5* C 4 2H5* C 4 -2.421 -10.172 4.576 36 H4* C 4 H4* C 4 -4.024 -9.926 7.138 37 H3* C 4 H3* C 4 -2.857 -7.860 5.252 38 H2* C 4 H2* C 4 -2.223 -6.526 7.051 39 2HO* C 4 2HO* C 4 -3.476 -6.342 8.707 40 H1* C 4 H1* C 4 -1.530 -8.601 8.770 41 1H4 C 4 1H4 C 4 3.624 -6.046 5.846 42 2H4 C 4 2H4 C 4 3.995 -7.704 5.447 43 H5 C 4 H5 C 4 1.676 -8.615 4.536 44 H6 C 4 H6 C 4 -0.460 -9.217 5.385 45 1H5* U 5 1H5* U 5 -5.435 -4.791 6.302 46 2H5* U 5 2H5* U 5 -3.963 -5.754 6.460 47 H4* U 5 H4* U 5 -4.684 -3.982 8.756 48 H3* U 5 H3* U 5 -3.617 -2.996 6.082 49 H2* U 5 H2* U 5 -2.150 -1.569 7.247 50 2HO* U 5 2HO* U 5 -3.897 -1.967 9.450 51 H1* U 5 H1* U 5 -1.729 -3.302 9.418 52 H3 U 5 H3 U 5 2.243 -2.367 7.353 53 H5 U 5 H5 U 5 0.615 -5.619 5.274 54 H6 U 5 H6 U 5 -1.508 -5.061 6.288 55 1H5* G 6 1H5* G 6 -1.984 0.280 7.998 56 2H5* G 6 2H5* G 6 -3.313 1.461 8.029 57 H4* G 6 H4* G 6 -2.042 2.741 6.681 58 H3* G 6 H3* G 6 -2.687 0.479 4.766 59 H2* G 6 H2* G 6 -1.124 1.311 3.233 60 2HO* G 6 2HO* G 6 -1.616 3.717 4.541 61 H1* G 6 H1* G 6 0.756 2.195 5.099 62 H8 G 6 H8 G 6 -1.081 -1.212 5.137 63 H1 G 6 H1 G 6 4.919 -1.289 2.829 64 1H2 G 6 1H2 G 6 5.633 0.806 2.539 65 2H2 G 6 2H2 G 6 4.894 2.095 3.470 66 1H5* A 7 1H5* A 7 -4.535 2.020 0.631 67 2H5* A 7 2H5* A 7 -3.616 0.504 0.712 68 H4* A 7 H4* A 7 -2.770 1.852 -1.116 69 H3* A 7 H3* A 7 -0.927 1.813 1.300 70 H2* A 7 H2* A 7 0.600 3.136 0.063 71 2HO* A 7 2HO* A 7 0.137 3.449 -2.267 72 H1* A 7 H1* A 7 -1.354 4.541 -1.355 73 H8 A 7 H8 A 7 -2.305 4.887 2.195 74 1H6 A 7 1H6 A 7 0.734 8.482 3.504 75 2H6 A 7 2H6 A 7 2.324 8.928 2.929 76 H2 A 7 H2 A 7 2.779 7.000 -1.108 77 1H5* A 8 1H5* A 8 0.965 0.478 -1.667 78 2H5* A 8 2H5* A 8 2.197 -0.797 -1.782 79 H4* A 8 H4* A 8 3.311 1.280 -2.166 80 H3* A 8 H3* A 8 3.703 0.262 0.666 81 H2* A 8 H2* A 8 5.111 2.118 1.115 82 2HO* A 8 2HO* A 8 5.828 3.490 -0.578 83 H1* A 8 H1* A 8 3.605 3.954 -0.374 84 H8 A 8 H8 A 8 1.230 1.861 1.599 85 1H6 A 8 1H6 A 8 2.524 5.378 6.523 86 2H6 A 8 2H6 A 8 1.288 4.392 5.773 87 H2 A 8 H2 A 8 5.452 6.409 3.277 88 1H5* A 9 2H5* A 9 8.308 -1.545 -1.910 89 2H5* A 9 1H5* A 9 7.335 -0.497 -0.858 90 H4* A 9 H4* A 9 9.569 0.243 -2.403 91 H3* A 9 H3* A 9 7.416 1.827 -0.980 92 H2* A 9 H2* A 9 8.304 3.812 -1.913 93 2HO* A 9 2HO* A 9 10.558 3.008 -1.505 94 H1* A 9 H1* A 9 8.896 2.695 -4.404 95 H8 A 9 H8 A 9 6.557 4.293 -2.135 96 1H6 A 9 1H6 A 9 2.071 3.916 -6.312 97 2H6 A 9 2H6 A 9 2.816 5.103 -5.266 98 H2 A 9 H2 A 9 5.544 1.423 -7.783 99 1H5* A 10 1H5* A 10 9.837 0.811 4.134 100 2H5* A 10 2H5* A 10 8.222 1.278 3.572 101 H4* A 10 H4* A 10 10.299 3.421 3.772 102 H3* A 10 H3* A 10 8.996 2.026 6.110 103 H2* A 10 H2* A 10 8.538 4.074 7.160 104 2HO* A 10 2HO* A 10 10.149 5.425 7.092 105 H1* A 10 H1* A 10 7.906 5.506 4.854 106 H8 A 10 H8 A 10 6.097 2.592 4.000 107 1H6 A 10 1H6 A 10 2.529 2.531 8.313 108 2H6 A 10 2H6 A 10 1.806 3.797 7.345 109 H2 A 10 H2 A 10 5.614 6.171 9.310 110 1H5* A 11 1H5* A 11 10.064 4.761 9.191 111 2H5* A 11 2H5* A 11 10.652 3.469 10.261 112 H4* A 11 H4* A 11 8.310 4.583 10.703 113 H3* A 11 H3* A 11 8.905 1.615 10.761 114 H2* A 11 H2* A 11 6.635 1.164 11.215 115 2HO* A 11 2HO* A 11 5.422 3.456 11.441 116 H1* A 11 H1* A 11 5.560 3.158 9.621 117 H8 A 11 H8 A 11 8.352 1.442 7.774 118 1H6 A 11 1H6 A 11 4.589 -3.075 6.390 119 2H6 A 11 2H6 A 11 5.313 -1.884 5.335 120 H2 A 11 H2 A 11 2.299 -0.223 9.171 121 1H5* G 12 1H5* G 12 8.919 -1.371 13.540 122 2H5* G 12 2H5* G 12 8.787 -0.442 12.036 123 H4* G 12 H4* G 12 6.604 0.186 13.848 124 H3* G 12 H3* G 12 7.045 -2.715 13.128 125 H2* G 12 H2* G 12 4.734 -2.922 12.644 126 2HO* G 12 2HO* G 12 4.156 -1.652 14.600 127 H1* G 12 H1* G 12 4.447 -0.397 11.471 128 H8 G 12 H8 G 12 7.441 -1.312 9.782 129 H1 G 12 H1 G 12 2.724 -5.377 8.206 130 1H2 G 12 1H2 G 12 1.116 -5.297 9.701 131 2H2 G 12 2H2 G 12 1.077 -4.071 10.949 132 1H5* G 13 1H5* G 13 4.277 -3.127 16.117 133 2H5* G 13 2H5* G 13 4.781 -4.106 17.511 134 H4* G 13 H4* G 13 2.762 -5.080 16.741 135 H3* G 13 H3* G 13 5.175 -6.559 15.705 136 H2* G 13 H2* G 13 3.789 -8.020 14.530 137 2HO* G 13 2HO* G 13 1.519 -8.113 14.885 138 H1* G 13 H1* G 13 1.846 -6.172 13.801 139 H8 G 13 H8 G 13 5.230 -4.675 13.212 140 H1 G 13 H1 G 13 3.478 -8.917 8.710 141 1H2 G 13 1H2 G 13 1.378 -9.693 9.292 142 2H2 G 13 2H2 G 13 1.266 -10.078 10.994 143 1H5* G 14 1H5* G 14 3.738 -10.185 18.256 144 2H5* G 14 2H5* G 14 3.959 -9.280 16.751 145 H4* G 14 H4* G 14 1.661 -11.208 17.091 146 H3* G 14 H3* G 14 4.526 -11.825 16.352 147 H2* G 14 H2* G 14 3.780 -13.279 14.654 148 2HO* G 14 2HO* G 14 1.258 -13.157 15.949 149 H1* G 14 H1* G 14 1.600 -11.743 13.859 150 H8 G 14 H8 G 14 4.399 -9.364 14.348 151 H1 G 14 H1 G 14 5.036 -12.893 8.999 152 1H2 G 14 1H2 G 14 3.743 -14.690 9.144 153 2H2 G 14 2H2 G 14 2.351 -14.675 10.205 154 1H5* C 15 1H5* C 15 2.645 -15.167 16.499 155 2H5* C 15 2H5* C 15 3.255 -16.489 17.522 156 H4* C 15 H4* C 15 2.938 -17.443 15.361 157 H3* C 15 H3* C 15 5.844 -16.717 15.830 158 H2* C 15 H2* C 15 6.356 -17.622 13.713 159 2HO* C 15 2HO* C 15 4.071 -19.142 14.199 160 H1* C 15 H1* C 15 3.919 -16.874 12.506 161 1H4 C 15 1H4 C 15 8.357 -13.044 10.110 162 2H4 C 15 2H4 C 15 8.575 -12.242 11.652 163 H5 C 15 H5 C 15 7.013 -12.654 13.503 164 H6 C 15 H6 C 15 5.372 -14.182 14.391 165 2H ASP 2 2H ASP 2 9.571 -8.915 0.348 166 1H ASP 2 1H ASP 2 9.448 -9.901 -1.031 167 3H ASP 2 3H ASP 2 10.883 -9.886 -0.125 168 HA ASP 2 HA ASP 2 9.834 -11.862 0.543 169 1HB ASP 2 1HB ASP 2 8.956 -9.724 2.500 170 2HB ASP 2 2HB ASP 2 9.432 -11.378 2.870 171 H ALA 3 H ALA 3 7.651 -12.121 2.248 172 HA ALA 3 HA ALA 3 5.466 -12.533 0.461 173 1HB ALA 3 1HB ALA 3 5.881 -13.670 2.639 174 2HB ALA 3 2HB ALA 3 5.486 -12.168 3.473 175 3HB ALA 3 3HB ALA 3 4.249 -13.011 2.542 176 H GLN 4 H GLN 4 6.400 -9.737 2.373 177 HA GLN 4 HA GLN 4 3.838 -8.385 2.168 178 1HB GLN 4 1HB GLN 4 5.704 -7.993 3.861 179 2HB GLN 4 2HB GLN 4 6.600 -7.195 2.570 180 1HG GLN 4 1HG GLN 4 4.620 -5.683 2.232 181 2HG GLN 4 2HG GLN 4 3.902 -6.387 3.679 182 1HE2 GLN 4 2HE2 GLN 4 5.373 -3.661 2.815 183 2HE2 GLN 4 1HE2 GLN 4 6.285 -3.327 4.204 184 H THR 5 H THR 5 6.973 -7.839 0.541 185 HA THR 5 HA THR 5 6.173 -5.912 -1.346 186 HB THR 5 HB THR 5 8.003 -8.323 -1.668 187 HG1 THR 5 HG1 THR 5 8.809 -7.113 -0.066 188 1HG2 THR 5 1HG2 THR 5 7.507 -5.878 -3.338 189 2HG2 THR 5 2HG2 THR 5 9.109 -6.617 -3.317 190 3HG2 THR 5 3HG2 THR 5 7.713 -7.553 -3.852 191 H ARG 6 H ARG 6 5.598 -9.374 -1.227 192 HA ARG 6 HA ARG 6 4.385 -9.609 -3.865 193 1HB ARG 6 1HB ARG 6 5.010 -11.224 -1.522 194 2HB ARG 6 2HB ARG 6 3.383 -11.576 -2.118 195 1HG ARG 6 1HG ARG 6 4.489 -12.974 -3.553 196 2HG ARG 6 2HG ARG 6 4.776 -11.492 -4.466 197 1HD ARG 6 1HD ARG 6 6.937 -12.483 -4.233 198 2HD ARG 6 2HD ARG 6 6.894 -11.230 -2.976 199 HE ARG 6 HE ARG 6 5.795 -13.557 -1.820 200 1HH1 ARG 6 1HH1 ARG 6 8.802 -12.498 -3.194 201 2HH1 ARG 6 2HH1 ARG 6 9.758 -13.549 -2.208 202 1HH2 ARG 6 1HH2 ARG 6 7.049 -14.920 -0.544 203 2HH2 ARG 6 2HH2 ARG 6 8.773 -14.914 -0.715 204 H ARG 7 H ARG 7 3.226 -9.368 -0.511 205 HA ARG 7 HA ARG 7 0.456 -9.470 -1.087 206 1HB ARG 7 1HB ARG 7 1.338 -9.707 1.150 207 2HB ARG 7 2HB ARG 7 2.083 -8.111 1.081 208 1HG ARG 7 1HG ARG 7 -0.305 -7.195 0.746 209 2HG ARG 7 2HG ARG 7 -0.858 -8.787 1.264 210 1HD ARG 7 1HD ARG 7 -0.121 -8.484 3.430 211 2HD ARG 7 2HD ARG 7 1.197 -7.409 2.949 212 HE ARG 7 HE ARG 7 -0.323 -5.593 3.063 213 1HH1 ARG 7 1HH1 ARG 7 -1.982 -8.645 2.943 214 2HH1 ARG 7 2HH1 ARG 7 -3.539 -7.941 3.210 215 1HH2 ARG 7 1HH2 ARG 7 -2.360 -4.695 3.409 216 2HH2 ARG 7 2HH2 ARG 7 -3.754 -5.721 3.472 217 H ARG 8 H ARG 8 2.787 -6.836 -1.213 218 HA ARG 8 HA ARG 8 1.071 -4.586 -1.398 219 1HB ARG 8 1HB ARG 8 3.769 -5.146 -1.549 220 2HB ARG 8 2HB ARG 8 3.421 -4.706 -3.214 221 1HG ARG 8 1HG ARG 8 4.128 -2.771 -1.767 222 2HG ARG 8 2HG ARG 8 2.567 -2.552 -2.548 223 1HD ARG 8 1HD ARG 8 2.896 -2.037 0.064 224 2HD ARG 8 2HD ARG 8 1.389 -2.733 -0.545 225 HE ARG 8 HE ARG 8 3.390 -4.758 0.097 226 1HH1 ARG 8 1HH1 ARG 8 0.853 -2.742 1.324 227 2HH1 ARG 8 2HH1 ARG 8 0.499 -3.791 2.648 228 1HH2 ARG 8 1HH2 ARG 8 2.915 -6.111 1.826 229 2HH2 ARG 8 2HH2 ARG 8 1.656 -5.680 2.932 230 H GLU 9 H GLU 9 2.140 -6.879 -3.879 231 HA GLU 9 HA GLU 9 0.818 -5.583 -6.075 232 1HB GLU 9 1HB GLU 9 1.361 -8.536 -5.575 233 2HB GLU 9 2HB GLU 9 1.079 -7.794 -7.151 234 1HG GLU 9 1HG GLU 9 3.122 -6.243 -6.168 235 2HG GLU 9 2HG GLU 9 3.523 -7.826 -5.501 236 H ARG 10 H ARG 10 -0.182 -7.740 -3.524 237 HA ARG 10 HA ARG 10 -2.877 -8.186 -4.535 238 1HB ARG 10 1HB ARG 10 -1.172 -8.888 -2.248 239 2HB ARG 10 2HB ARG 10 -2.849 -8.602 -1.790 240 1HG ARG 10 1HG ARG 10 -3.189 -10.753 -2.436 241 2HG ARG 10 2HG ARG 10 -3.127 -10.112 -4.078 242 1HD ARG 10 1HD ARG 10 -0.447 -10.391 -3.482 243 2HD ARG 10 2HD ARG 10 -1.165 -11.792 -2.663 244 HE ARG 10 HE ARG 10 -2.455 -11.765 -5.105 245 1HH1 ARG 10 1HH1 ARG 10 0.869 -11.701 -4.103 246 2HH1 ARG 10 2HH1 ARG 10 1.433 -12.522 -5.518 247 1HH2 ARG 10 1HH2 ARG 10 -1.707 -12.832 -6.940 248 2HH2 ARG 10 2HH2 ARG 10 -0.016 -13.159 -7.116 249 H ARG 11 H ARG 11 -1.174 -5.658 -2.921 250 HA ARG 11 HA ARG 11 -3.643 -4.457 -1.806 251 1HB ARG 11 1HB ARG 11 -0.714 -3.665 -1.834 252 2HB ARG 11 2HB ARG 11 -1.985 -2.763 -1.010 253 1HG ARG 11 1HG ARG 11 -1.184 -5.637 -0.440 254 2HG ARG 11 2HG ARG 11 -0.844 -4.259 0.591 255 1HD ARG 11 1HD ARG 11 -2.899 -4.402 1.539 256 2HD ARG 11 2HD ARG 11 -3.685 -4.394 -0.046 257 HE ARG 11 HE ARG 11 -2.376 -6.922 0.395 258 1HH1 ARG 11 1HH1 ARG 11 -5.154 -5.043 1.290 259 2HH1 ARG 11 2HH1 ARG 11 -6.133 -6.430 1.623 260 1HH2 ARG 11 1HH2 ARG 11 -3.658 -8.718 0.832 261 2HH2 ARG 11 2HH2 ARG 11 -5.291 -8.501 1.365 262 H ALA 12 H ALA 12 -2.338 -4.639 -4.845 263 HA ALA 12 HA ALA 12 -2.173 -1.957 -5.795 264 1HB ALA 12 1HB ALA 12 -3.355 -4.448 -7.100 265 2HB ALA 12 2HB ALA 12 -2.803 -3.014 -7.964 266 3HB ALA 12 3HB ALA 12 -1.645 -4.017 -7.090 267 H GLU 13 H GLU 13 -4.898 -3.915 -4.795 268 HA GLU 13 HA GLU 13 -6.960 -2.192 -5.927 269 1HB GLU 13 1HB GLU 13 -6.812 -4.442 -3.908 270 2HB GLU 13 2HB GLU 13 -8.327 -3.588 -4.208 271 1HG GLU 13 1HG GLU 13 -8.120 -4.124 -6.629 272 2HG GLU 13 2HG GLU 13 -6.658 -5.047 -6.277 273 H LYS 14 H LYS 14 -5.170 -2.491 -2.887 274 HA LYS 14 HA LYS 14 -6.754 -0.458 -1.491 275 1HB LYS 14 1HB LYS 14 -4.023 -1.715 -0.988 276 2HB LYS 14 2HB LYS 14 -4.929 -0.758 0.188 277 1HG LYS 14 1HG LYS 14 -5.993 -3.291 -1.086 278 2HG LYS 14 2HG LYS 14 -5.175 -3.251 0.476 279 1HD LYS 14 1HD LYS 14 -6.869 -1.745 1.372 280 2HD LYS 14 2HD LYS 14 -7.658 -1.648 -0.202 281 1HE LYS 14 1HE LYS 14 -8.326 -3.952 -0.116 282 2HE LYS 14 2HE LYS 14 -7.281 -4.266 1.283 283 1HZ LYS 14 1HZ LYS 14 -8.556 -2.512 2.477 284 2HZ LYS 14 2HZ LYS 14 -9.650 -2.479 1.180 285 3HZ LYS 14 3HZ LYS 14 -9.472 -3.894 2.103 286 H GLN 15 H GLN 15 -3.771 -0.734 -3.280 287 HA GLN 15 HA GLN 15 -2.771 1.938 -2.919 288 1HB GLN 15 1HB GLN 15 -2.225 -0.554 -4.362 289 2HB GLN 15 2HB GLN 15 -1.817 0.854 -5.329 290 1HG GLN 15 1HG GLN 15 -0.179 1.565 -3.847 291 2HG GLN 15 2HG GLN 15 -0.968 0.802 -2.466 292 1HE2 GLN 15 2HE2 GLN 15 -1.030 -1.705 -2.597 293 2HE2 GLN 15 1HE2 GLN 15 0.359 -2.472 -3.208 294 H ALA 16 H ALA 16 -4.478 0.329 -5.612 295 HA ALA 16 HA ALA 16 -4.724 2.686 -7.240 296 1HB ALA 16 1HB ALA 16 -4.980 0.247 -7.902 297 2HB ALA 16 2HB ALA 16 -6.557 0.265 -7.110 298 3HB ALA 16 3HB ALA 16 -6.260 1.297 -8.509 299 H GLN 17 H GLN 17 -6.590 1.453 -4.516 300 HA GLN 17 HA GLN 17 -8.861 3.253 -4.999 301 1HB GLN 17 1HB GLN 17 -7.916 1.299 -2.925 302 2HB GLN 17 2HB GLN 17 -9.140 2.475 -2.449 303 1HG GLN 17 1HG GLN 17 -9.653 1.163 -5.044 304 2HG GLN 17 2HG GLN 17 -9.699 0.079 -3.653 305 1HE2 GLN 17 2HE2 GLN 17 -10.725 3.520 -4.061 306 2HE2 GLN 17 1HE2 GLN 17 -12.305 3.266 -3.491 307 H TRP 18 H TRP 18 -5.927 3.148 -3.084 308 HA TRP 18 HA TRP 18 -6.400 5.651 -1.659 309 1HB TRP 18 1HB TRP 18 -4.953 3.893 -0.762 310 2HB TRP 18 2HB TRP 18 -3.978 3.909 -2.216 311 HD1 TRP 18 HD1 TRP 18 -4.483 5.811 1.024 312 HE1 TRP 18 HE1 TRP 18 -2.706 7.683 1.158 313 HE3 TRP 18 HE3 TRP 18 -2.516 5.492 -3.615 314 HZ2 TRP 18 HZ2 TRP 18 -0.697 8.865 -0.497 315 HZ3 TRP 18 HZ3 TRP 18 -0.699 6.956 -4.317 316 HH2 TRP 18 HH2 TRP 18 0.231 8.617 -2.791 317 H LYS 19 H LYS 19 -4.377 4.576 -4.345 318 HA LYS 19 HA LYS 19 -3.134 7.036 -5.006 319 1HB LYS 19 1HB LYS 19 -3.894 4.540 -6.540 320 2HB LYS 19 2HB LYS 19 -3.032 5.867 -7.307 321 1HG LYS 19 1HG LYS 19 -1.362 5.674 -5.355 322 2HG LYS 19 2HG LYS 19 -2.098 4.104 -5.053 323 1HD LYS 19 1HD LYS 19 -1.141 4.863 -7.809 324 2HD LYS 19 2HD LYS 19 -0.030 4.193 -6.614 325 1HE LYS 19 1HE LYS 19 -2.176 2.466 -6.424 326 2HE LYS 19 2HE LYS 19 -2.134 2.835 -8.159 327 1HZ LYS 19 1HZ LYS 19 0.254 2.409 -8.147 328 2HZ LYS 19 2HZ LYS 19 0.189 2.007 -6.497 329 3HZ LYS 19 3HZ LYS 19 -0.606 1.037 -7.643 330 H ALA 20 H ALA 20 -6.246 5.621 -5.869 331 HA ALA 20 HA ALA 20 -6.967 7.507 -7.871 332 1HB ALA 20 1HB ALA 20 -8.337 5.618 -6.017 333 2HB ALA 20 2HB ALA 20 -9.331 6.801 -6.867 334 3HB ALA 20 3HB ALA 20 -8.350 5.656 -7.780 335 H ALA 21 H ALA 21 -7.007 7.635 -4.364 336 HA ALA 21 HA ALA 21 -8.184 10.379 -4.517 337 1HB ALA 21 1HB ALA 21 -8.283 8.272 -2.340 338 2HB ALA 21 2HB ALA 21 -8.982 9.885 -2.195 339 3HB ALA 21 3HB ALA 21 -9.621 8.749 -3.384 340 H ASN 22 H ASN 22 -5.372 9.486 -4.720 341 HA ASN 22 HA ASN 22 -4.242 11.420 -2.807 342 1HB ASN 22 1HB ASN 22 -3.507 8.477 -2.807 343 2HB ASN 22 2HB ASN 22 -2.606 9.732 -1.957 344 1HD2 ASN 22 2HD2 ASN 22 -4.989 7.463 -1.505 345 2HD2 ASN 22 1HD2 ASN 22 -5.786 8.148 -0.171 346 HA PRO 23 HA PRO 23 -2.129 10.751 -6.970 347 1HB PRO 23 1HB PRO 23 -2.960 13.074 -8.164 348 2HB PRO 23 2HB PRO 23 -3.844 11.542 -8.318 349 1HG PRO 23 1HG PRO 23 -4.391 13.874 -6.553 350 2HG PRO 23 2HG PRO 23 -5.522 12.827 -7.427 351 1HD PRO 23 1HD PRO 23 -5.008 12.581 -4.764 352 2HD PRO 23 2HD PRO 23 -5.504 11.223 -5.780 353 H LEU 24 H LEU 24 -2.664 13.307 -4.672 354 HA LEU 24 HA LEU 24 -0.409 14.965 -5.377 355 1HB LEU 24 1HB LEU 24 -0.643 15.628 -2.855 356 2HB LEU 24 2HB LEU 24 -1.951 16.019 -3.950 357 HG LEU 24 HG LEU 24 -2.497 14.997 -1.618 358 1HD1 LEU 24 1HD1 LEU 24 -3.754 14.824 -4.180 359 2HD1 LEU 24 2HD1 LEU 24 -4.117 13.360 -3.266 360 3HD1 LEU 24 3HD1 LEU 24 -4.498 14.941 -2.587 361 1HD2 LEU 24 1HD2 LEU 24 -0.879 13.040 -1.971 362 2HD2 LEU 24 2HD2 LEU 24 -2.487 12.625 -1.390 363 3HD2 LEU 24 3HD2 LEU 24 -2.078 12.382 -3.081 364 H LEU 25 H LEU 25 -0.692 11.924 -3.881 365 HA LEU 25 HA LEU 25 2.171 11.974 -3.045 366 1HB LEU 25 1HB LEU 25 -0.346 10.638 -2.047 367 2HB LEU 25 2HB LEU 25 1.219 9.883 -1.722 368 HG LEU 25 HG LEU 25 0.877 12.802 -1.131 369 1HD1 LEU 25 1HD1 LEU 25 -1.086 11.488 -0.152 370 2HD1 LEU 25 2HD1 LEU 25 0.103 10.634 0.831 371 3HD1 LEU 25 3HD1 LEU 25 -0.099 12.376 1.008 372 1HD2 LEU 25 1HD2 LEU 25 3.018 11.248 -0.959 373 2HD2 LEU 25 2HD2 LEU 25 2.695 12.461 0.280 374 3HD2 LEU 25 3HD2 LEU 25 2.282 10.771 0.572 375 H VAL 26 H VAL 26 0.864 11.664 -5.619 376 HA VAL 26 HA VAL 26 2.011 9.066 -6.464 377 HB VAL 26 HB VAL 26 -0.803 9.803 -6.137 378 1HG1 VAL 26 1HG1 VAL 26 0.155 9.057 -8.913 379 2HG1 VAL 26 2HG1 VAL 26 -1.495 8.766 -8.364 380 3HG1 VAL 26 3HG1 VAL 26 -0.872 10.414 -8.442 381 1HG2 VAL 26 1HG2 VAL 26 0.526 7.697 -5.492 382 2HG2 VAL 26 2HG2 VAL 26 -1.080 7.449 -6.180 383 3HG2 VAL 26 3HG2 VAL 26 0.358 7.217 -7.180 384 H GLY 27 H GLY 27 3.431 9.738 -8.026 385 1HA GLY 27 1HA GLY 27 4.218 10.822 -9.977 386 2HA GLY 27 2HA GLY 27 2.546 11.283 -10.316 387 H VAL 28 H VAL 28 1.684 12.993 -8.654 388 HA VAL 28 HA VAL 28 3.409 15.338 -8.783 389 HB VAL 28 HB VAL 28 0.726 14.750 -7.495 390 1HG1 VAL 28 1HG1 VAL 28 2.424 16.959 -7.049 391 2HG1 VAL 28 2HG1 VAL 28 1.201 17.527 -8.186 392 3HG1 VAL 28 3HG1 VAL 28 0.713 16.836 -6.639 393 1HG2 VAL 28 1HG2 VAL 28 1.260 14.724 -10.121 394 2HG2 VAL 28 2HG2 VAL 28 -0.247 15.387 -9.487 395 3HG2 VAL 28 3HG2 VAL 28 1.082 16.466 -9.912 396 H SER 29 H SER 29 4.347 16.429 -7.002 397 HA SER 29 HA SER 29 5.499 16.531 -4.953 398 1HB SER 29 1HB SER 29 2.751 16.137 -4.570 399 2HB SER 29 2HB SER 29 3.513 14.996 -3.466 400 HG SER 29 HG SER 29 4.669 16.692 -2.569 401 H ALA 30 H ALA 30 6.277 14.406 -6.600 402 HA ALA 30 HA ALA 30 6.893 12.262 -4.592 403 1HB ALA 30 1HB ALA 30 5.224 11.870 -6.601 404 2HB ALA 30 2HB ALA 30 6.705 11.766 -7.555 405 3HB ALA 30 3HB ALA 30 6.432 10.641 -6.224 406 H LYS 31 H LYS 31 8.612 14.361 -4.757 407 HA LYS 31 HA LYS 31 11.058 13.136 -5.756 408 1HB LYS 31 1HB LYS 31 11.469 15.072 -7.374 409 2HB LYS 31 2HB LYS 31 10.223 13.928 -7.867 410 1HG LYS 31 1HG LYS 31 8.880 15.739 -8.116 411 2HG LYS 31 2HG LYS 31 8.797 15.770 -6.357 412 1HD LYS 31 1HD LYS 31 10.319 17.501 -6.172 413 2HD LYS 31 2HD LYS 31 11.150 17.070 -7.666 414 1HE LYS 31 1HE LYS 31 9.867 18.504 -8.865 415 2HE LYS 31 2HE LYS 31 8.377 17.826 -8.180 416 1HZ LYS 31 1HZ LYS 31 10.180 19.581 -6.615 417 2HZ LYS 31 2HZ LYS 31 8.908 20.207 -7.552 418 3HZ LYS 31 3HZ LYS 31 8.575 19.150 -6.268 419 HA PRO 32 HA PRO 32 11.466 16.500 -2.575 420 1HB PRO 32 1HB PRO 32 11.526 15.001 -0.293 421 2HB PRO 32 2HB PRO 32 10.021 15.613 -1.005 422 1HG PRO 32 1HG PRO 32 11.069 12.881 -0.927 423 2HG PRO 32 2HG PRO 32 9.416 13.449 -1.183 424 1HD PRO 32 1HD PRO 32 11.297 12.549 -3.145 425 2HD PRO 32 2HD PRO 32 9.638 13.124 -3.401 426 H VAL 33 H VAL 33 13.610 17.087 -2.628 427 HA VAL 33 HA VAL 33 15.957 16.972 -2.414 428 HB VAL 33 HB VAL 33 15.222 14.633 -0.621 429 1HG1 VAL 33 1HG1 VAL 33 17.668 15.024 -1.297 430 2HG1 VAL 33 2HG1 VAL 33 17.563 16.527 -0.378 431 3HG1 VAL 33 3HG1 VAL 33 17.324 14.979 0.433 432 1HG2 VAL 33 1HG2 VAL 33 15.098 17.612 -0.270 433 2HG2 VAL 33 2HG2 VAL 33 13.976 16.376 0.298 434 3HG2 VAL 33 3HG2 VAL 33 15.521 16.605 1.115 435 H ASN 34 H ASN 34 17.298 16.214 -3.994 436 HA ASN 34 HA ASN 34 16.764 14.071 -5.739 437 1HB ASN 34 1HB ASN 34 18.412 15.952 -5.995 438 2HB ASN 34 2HB ASN 34 19.474 15.117 -4.861 439 1HD2 ASN 34 2HD2 ASN 34 20.887 13.596 -5.760 440 2HD2 ASN 34 1HD2 ASN 34 20.741 12.946 -7.320 441 H ARG 35 H ARG 35 16.308 12.041 -4.854 442 HA ARG 35 HA ARG 35 18.510 10.433 -3.889 443 1HB ARG 35 1HB ARG 35 16.998 12.000 -1.999 444 2HB ARG 35 2HB ARG 35 16.720 10.287 -1.684 445 1HG ARG 35 1HG ARG 35 19.463 10.440 -2.185 446 2HG ARG 35 2HG ARG 35 19.123 11.883 -1.229 447 1HD ARG 35 1HD ARG 35 18.934 10.630 0.648 448 2HD ARG 35 2HD ARG 35 17.693 9.620 -0.118 449 HE ARG 35 HE ARG 35 20.341 9.015 -1.137 450 1HH1 ARG 35 1HH1 ARG 35 18.130 8.500 1.486 451 2HH1 ARG 35 2HH1 ARG 35 18.820 6.976 1.927 452 1HH2 ARG 35 1HH2 ARG 35 21.233 7.033 -0.559 453 2HH2 ARG 35 2HH2 ARG 35 20.570 6.147 0.775 454 HA PRO 36 HA PRO 36 14.561 7.772 -3.788 455 1HB PRO 36 1HB PRO 36 12.120 8.983 -4.037 456 2HB PRO 36 2HB PRO 36 12.909 8.716 -2.470 457 1HG PRO 36 1HG PRO 36 12.743 11.193 -4.107 458 2HG PRO 36 2HG PRO 36 12.663 10.992 -2.350 459 1HD PRO 36 1HD PRO 36 14.888 11.849 -3.674 460 2HD PRO 36 2HD PRO 36 14.935 11.002 -2.113 Start of MODEL 28 1 1H5* G 1 1H5* G 1 11.564 -13.893 1.388 2 2H5* G 1 2H5* G 1 12.980 -14.966 1.326 3 H4* G 1 H4* G 1 11.343 -16.912 1.541 4 H3* G 1 H3* G 1 9.478 -14.595 2.155 5 H2* G 1 H2* G 1 8.499 -15.866 3.898 6 2HO* G 1 2HO* G 1 8.621 -18.049 4.010 7 H1* G 1 H1* G 1 10.852 -17.077 4.753 8 H8 G 1 H8 G 1 11.525 -13.451 4.131 9 H1 G 1 H1 G 1 8.173 -14.529 9.505 10 1H2 G 1 1H2 G 1 7.318 -16.582 9.449 11 2H2 G 1 2H2 G 1 8.019 -17.798 8.404 12 1H5* C 2 1H5* C 2 6.992 -18.442 3.070 13 2H5* C 2 2H5* C 2 5.969 -18.226 1.631 14 H4* C 2 H4* C 2 4.534 -18.605 3.544 15 H3* C 2 H3* C 2 4.608 -15.711 2.621 16 H2* C 2 H2* C 2 3.064 -15.157 4.314 17 2HO* C 2 2HO* C 2 1.898 -17.320 3.761 18 H1* C 2 H1* C 2 4.045 -16.962 6.226 19 1H4 C 2 1H4 C 2 6.339 -11.419 8.212 20 2H4 C 2 2H4 C 2 7.334 -11.244 6.786 21 H5 C 2 H5 C 2 7.006 -12.669 4.824 22 H6 C 2 H6 C 2 6.348 -14.941 4.165 23 1H5* C 3 1H5* C 3 0.247 -14.165 1.624 24 2H5* C 3 2H5* C 3 1.413 -12.900 2.046 25 H4* C 3 H4* C 3 -0.334 -14.547 3.874 26 H3* C 3 H3* C 3 0.204 -11.607 3.419 27 H2* C 3 H2* C 3 -0.166 -11.150 5.682 28 2HO* C 3 2HO* C 3 -0.851 -13.176 6.986 29 H1* C 3 H1* C 3 1.013 -13.459 6.686 30 1H4 C 3 1H4 C 3 5.264 -8.725 7.223 31 2H4 C 3 2H4 C 3 5.854 -9.077 5.614 32 H5 C 3 H5 C 3 4.772 -10.690 4.157 33 H6 C 3 H6 C 3 3.037 -12.379 3.983 34 1H5* C 4 1H5* C 4 -4.170 -10.484 4.490 35 2H5* C 4 2H5* C 4 -2.399 -10.420 4.494 36 H4* C 4 H4* C 4 -4.128 -10.146 6.968 37 H3* C 4 H3* C 4 -2.926 -8.059 5.128 38 H2* C 4 H2* C 4 -2.334 -6.734 6.948 39 2HO* C 4 2HO* C 4 -3.287 -6.774 8.870 40 H1* C 4 H1* C 4 -1.668 -8.811 8.671 41 1H4 C 4 1H4 C 4 3.508 -6.226 5.787 42 2H4 C 4 2H4 C 4 3.916 -7.891 5.461 43 H5 C 4 H5 C 4 1.613 -8.830 4.498 44 H6 C 4 H6 C 4 -0.539 -9.421 5.309 45 1H5* U 5 1H5* U 5 -5.525 -4.986 6.169 46 2H5* U 5 2H5* U 5 -4.068 -5.970 6.326 47 H4* U 5 H4* U 5 -4.785 -4.263 8.664 48 H3* U 5 H3* U 5 -3.727 -3.180 6.024 49 H2* U 5 H2* U 5 -2.260 -1.793 7.235 50 2HO* U 5 2HO* U 5 -3.966 -2.297 9.452 51 H1* U 5 H1* U 5 -1.829 -3.602 9.338 52 H3 U 5 H3 U 5 2.113 -2.545 7.264 53 H5 U 5 H5 U 5 0.553 -5.836 5.195 54 H6 U 5 H6 U 5 -1.584 -5.318 6.206 55 1H5* G 6 1H5* G 6 -2.076 -0.007 7.998 56 2H5* G 6 2H5* G 6 -3.338 1.245 7.982 57 H4* G 6 H4* G 6 -1.895 2.410 6.683 58 H3* G 6 H3* G 6 -2.815 0.274 4.724 59 H2* G 6 H2* G 6 -1.256 1.069 3.168 60 2HO* G 6 2HO* G 6 -1.527 3.229 3.128 61 H1* G 6 H1* G 6 0.718 1.776 5.036 62 H8 G 6 H8 G 6 -1.237 -1.566 4.787 63 H1 G 6 H1 G 6 4.747 -1.628 2.426 64 1H2 G 6 1H2 G 6 5.532 0.483 2.336 65 2H2 G 6 2H2 G 6 4.889 1.643 3.485 66 1H5* A 7 1H5* A 7 -4.462 2.430 0.415 67 2H5* A 7 2H5* A 7 -3.771 0.912 0.995 68 H4* A 7 H4* A 7 -2.456 1.765 -0.882 69 H3* A 7 H3* A 7 -1.075 2.203 1.784 70 H2* A 7 H2* A 7 0.795 3.032 0.536 71 2HO* A 7 2HO* A 7 -0.011 2.830 -1.963 72 H1* A 7 H1* A 7 -0.773 4.376 -1.289 73 H8 A 7 H8 A 7 -2.093 4.887 2.205 74 1H6 A 7 1H6 A 7 1.413 9.403 2.848 75 2H6 A 7 2H6 A 7 1.927 8.070 3.857 76 H2 A 7 H2 A 7 3.180 6.911 -0.837 77 1H5* A 8 2H5* A 8 2.324 -0.829 -1.700 78 2H5* A 8 1H5* A 8 1.959 -0.497 0.002 79 H4* A 8 H4* A 8 3.345 1.257 -2.023 80 H3* A 8 H3* A 8 3.903 0.217 0.771 81 H2* A 8 H2* A 8 5.213 2.132 1.225 82 2HO* A 8 2HO* A 8 5.119 2.818 -1.527 83 H1* A 8 H1* A 8 3.623 3.913 -0.256 84 H8 A 8 H8 A 8 1.406 1.767 1.869 85 1H6 A 8 1H6 A 8 1.384 4.627 5.891 86 2H6 A 8 2H6 A 8 2.755 5.405 6.649 87 H2 A 8 H2 A 8 5.398 6.630 3.197 88 1H5* A 9 2H5* A 9 8.365 -1.530 -2.004 89 2H5* A 9 1H5* A 9 7.415 -0.533 -0.882 90 H4* A 9 H4* A 9 9.637 0.277 -2.388 91 H3* A 9 H3* A 9 7.476 1.794 -0.902 92 H2* A 9 H2* A 9 8.355 3.819 -1.752 93 2HO* A 9 2HO* A 9 10.374 3.837 -2.875 94 H1* A 9 H1* A 9 8.961 2.815 -4.287 95 H8 A 9 H8 A 9 6.638 4.331 -1.973 96 1H6 A 9 1H6 A 9 2.540 4.796 -6.446 97 2H6 A 9 2H6 A 9 2.459 4.527 -4.719 98 H2 A 9 H2 A 9 5.549 1.588 -7.670 99 1H5* A 10 1H5* A 10 9.959 0.775 4.203 100 2H5* A 10 2H5* A 10 8.295 1.054 3.647 101 H4* A 10 H4* A 10 10.127 3.414 3.828 102 H3* A 10 H3* A 10 8.954 1.920 6.175 103 H2* A 10 H2* A 10 8.280 3.929 7.188 104 2HO* A 10 2HO* A 10 10.055 5.193 5.372 105 H1* A 10 H1* A 10 7.532 5.252 4.851 106 H8 A 10 H8 A 10 6.089 2.053 4.146 107 1H6 A 10 1H6 A 10 2.480 1.740 7.918 108 2H6 A 10 2H6 A 10 1.512 3.183 7.710 109 H2 A 10 H2 A 10 4.995 5.995 9.102 110 1H5* A 11 1H5* A 11 9.702 4.714 8.952 111 2H5* A 11 2H5* A 11 10.395 3.675 10.218 112 H4* A 11 H4* A 11 8.014 4.535 10.609 113 H3* A 11 H3* A 11 8.695 1.585 10.668 114 H2* A 11 H2* A 11 6.437 1.077 11.128 115 2HO* A 11 2HO* A 11 5.023 2.477 11.987 116 H1* A 11 H1* A 11 5.314 3.041 9.530 117 H8 A 11 H8 A 11 8.139 1.373 7.684 118 1H6 A 11 1H6 A 11 4.493 -3.217 6.328 119 2H6 A 11 2H6 A 11 5.093 -1.994 5.231 120 H2 A 11 H2 A 11 2.120 -0.393 9.100 121 1H5* G 12 1H5* G 12 8.754 -1.401 13.432 122 2H5* G 12 2H5* G 12 8.601 -0.462 11.935 123 H4* G 12 H4* G 12 6.404 0.117 13.740 124 H3* G 12 H3* G 12 6.903 -2.777 13.031 125 H2* G 12 H2* G 12 4.588 -3.029 12.575 126 2HO* G 12 2HO* G 12 3.052 -1.650 13.300 127 H1* G 12 H1* G 12 4.255 -0.524 11.378 128 H8 G 12 H8 G 12 7.269 -1.432 9.701 129 H1 G 12 H1 G 12 2.581 -5.537 8.145 130 1H2 G 12 1H2 G 12 1.016 -5.523 9.721 131 2H2 G 12 2H2 G 12 0.847 -4.125 10.759 132 1H5* G 13 1H5* G 13 4.182 -3.138 16.107 133 2H5* G 13 2H5* G 13 4.630 -4.209 17.451 134 H4* G 13 H4* G 13 2.533 -4.988 16.584 135 H3* G 13 H3* G 13 4.870 -6.648 15.626 136 H2* G 13 H2* G 13 3.379 -7.992 14.412 137 2HO* G 13 2HO* G 13 1.121 -7.908 14.736 138 H1* G 13 H1* G 13 1.650 -5.968 13.618 139 H8 G 13 H8 G 13 5.102 -4.694 13.083 140 H1 G 13 H1 G 13 3.335 -9.060 8.714 141 1H2 G 13 1H2 G 13 1.117 -9.669 9.270 142 2H2 G 13 2H2 G 13 1.087 -10.117 10.962 143 1H5* G 14 1H5* G 14 2.251 -9.093 17.634 144 2H5* G 14 2H5* G 14 2.813 -10.148 18.951 145 H4* G 14 H4* G 14 1.646 -11.621 17.524 146 H3* G 14 H3* G 14 4.572 -11.682 16.727 147 H2* G 14 H2* G 14 4.004 -13.332 15.118 148 2HO* G 14 2HO* G 14 2.290 -14.593 15.266 149 H1* G 14 H1* G 14 1.586 -12.147 14.380 150 H8 G 14 H8 G 14 4.177 -9.452 14.677 151 H1 G 14 H1 G 14 4.703 -12.951 9.300 152 1H2 G 14 1H2 G 14 3.047 -14.530 9.342 153 2H2 G 14 2H2 G 14 2.781 -15.250 10.915 154 1H5* C 15 1H5* C 15 3.302 -15.353 16.888 155 2H5* C 15 2H5* C 15 4.221 -16.487 17.906 156 H4* C 15 H4* C 15 3.993 -17.559 15.786 157 H3* C 15 H3* C 15 6.713 -16.253 16.081 158 H2* C 15 H2* C 15 7.293 -17.112 13.962 159 2HO* C 15 2HO* C 15 5.234 -18.966 14.495 160 H1* C 15 H1* C 15 4.703 -16.899 12.868 161 1H4 C 15 1H4 C 15 8.066 -12.267 10.161 162 2H4 C 15 2H4 C 15 8.326 -11.476 11.705 163 H5 C 15 H5 C 15 6.950 -12.126 13.644 164 H6 C 15 H6 C 15 5.707 -13.934 14.645 165 2H ASP 2 2H ASP 2 9.191 -10.129 -1.018 166 1H ASP 2 1H ASP 2 9.024 -11.585 -1.878 167 3H ASP 2 3H ASP 2 10.463 -11.256 -1.043 168 HA ASP 2 HA ASP 2 9.332 -12.758 0.350 169 1HB ASP 2 1HB ASP 2 8.590 -9.978 1.291 170 2HB ASP 2 2HB ASP 2 9.014 -11.366 2.288 171 H ALA 3 H ALA 3 7.168 -12.208 2.014 172 HA ALA 3 HA ALA 3 4.911 -12.871 0.246 173 1HB ALA 3 1HB ALA 3 5.529 -13.956 2.474 174 2HB ALA 3 2HB ALA 3 4.962 -12.476 3.248 175 3HB ALA 3 3HB ALA 3 3.842 -13.469 2.314 176 H GLN 4 H GLN 4 5.943 -10.191 2.304 177 HA GLN 4 HA GLN 4 3.456 -8.718 2.122 178 1HB GLN 4 1HB GLN 4 5.325 -8.500 3.842 179 2HB GLN 4 2HB GLN 4 6.270 -7.687 2.597 180 1HG GLN 4 1HG GLN 4 4.559 -5.950 2.386 181 2HG GLN 4 2HG GLN 4 3.546 -6.779 3.570 182 1HE2 GLN 4 2HE2 GLN 4 4.953 -4.047 3.677 183 2HE2 GLN 4 1HE2 GLN 4 5.840 -4.094 5.122 184 H THR 5 H THR 5 6.631 -8.233 0.555 185 HA THR 5 HA THR 5 5.910 -6.218 -1.284 186 HB THR 5 HB THR 5 7.700 -8.654 -1.645 187 HG1 THR 5 HG1 THR 5 8.264 -6.004 -0.806 188 1HG2 THR 5 1HG2 THR 5 7.337 -6.113 -3.211 189 2HG2 THR 5 2HG2 THR 5 8.893 -6.945 -3.202 190 3HG2 THR 5 3HG2 THR 5 7.453 -7.771 -3.802 191 H ARG 6 H ARG 6 5.282 -9.671 -1.267 192 HA ARG 6 HA ARG 6 4.110 -9.852 -3.924 193 1HB ARG 6 1HB ARG 6 4.685 -11.503 -1.607 194 2HB ARG 6 2HB ARG 6 3.034 -11.795 -2.171 195 1HG ARG 6 1HG ARG 6 3.791 -12.380 -4.366 196 2HG ARG 6 2HG ARG 6 5.415 -11.769 -4.048 197 1HD ARG 6 1HD ARG 6 5.385 -14.239 -3.905 198 2HD ARG 6 2HD ARG 6 5.705 -13.542 -2.305 199 HE ARG 6 HE ARG 6 3.588 -14.314 -1.602 200 1HH1 ARG 6 1HH1 ARG 6 3.804 -14.237 -5.067 201 2HH1 ARG 6 2HH1 ARG 6 2.264 -14.993 -5.295 202 1HH2 ARG 6 1HH2 ARG 6 1.589 -15.296 -1.913 203 2HH2 ARG 6 2HH2 ARG 6 1.017 -15.590 -3.521 204 H ARG 7 H ARG 7 2.893 -9.639 -0.588 205 HA ARG 7 HA ARG 7 0.132 -9.653 -1.182 206 1HB ARG 7 1HB ARG 7 0.938 -9.904 1.068 207 2HB ARG 7 2HB ARG 7 1.814 -8.376 0.990 208 1HG ARG 7 1HG ARG 7 -0.536 -7.312 0.588 209 2HG ARG 7 2HG ARG 7 -1.155 -8.830 1.234 210 1HD ARG 7 1HD ARG 7 -0.222 -8.454 3.351 211 2HD ARG 7 2HD ARG 7 0.994 -7.330 2.724 212 HE ARG 7 HE ARG 7 -0.611 -5.613 2.899 213 1HH1 ARG 7 1HH1 ARG 7 -2.140 -8.730 2.813 214 2HH1 ARG 7 2HH1 ARG 7 -3.725 -8.089 3.072 215 1HH2 ARG 7 1HH2 ARG 7 -2.680 -4.794 3.235 216 2HH2 ARG 7 2HH2 ARG 7 -4.031 -5.875 3.310 217 H ARG 8 H ARG 8 2.530 -7.081 -1.290 218 HA ARG 8 HA ARG 8 0.872 -4.792 -1.493 219 1HB ARG 8 1HB ARG 8 3.545 -5.388 -1.573 220 2HB ARG 8 2HB ARG 8 3.255 -4.962 -3.257 221 1HG ARG 8 1HG ARG 8 3.809 -2.909 -2.216 222 2HG ARG 8 2HG ARG 8 2.052 -2.880 -2.344 223 1HD ARG 8 1HD ARG 8 2.873 -2.180 -0.070 224 2HD ARG 8 2HD ARG 8 1.837 -3.616 -0.007 225 HE ARG 8 HE ARG 8 3.717 -4.851 0.688 226 1HH1 ARG 8 1HH1 ARG 8 4.702 -1.959 -0.938 227 2HH1 ARG 8 2HH1 ARG 8 6.385 -2.227 -0.645 228 1HH2 ARG 8 1HH2 ARG 8 5.900 -5.194 1.068 229 2HH2 ARG 8 2HH2 ARG 8 7.063 -4.050 0.486 230 H GLU 9 H GLU 9 1.835 -7.162 -3.940 231 HA GLU 9 HA GLU 9 0.648 -5.790 -6.175 232 1HB GLU 9 1HB GLU 9 1.089 -8.743 -5.575 233 2HB GLU 9 2HB GLU 9 0.680 -8.106 -7.167 234 1HG GLU 9 1HG GLU 9 2.873 -6.571 -6.232 235 2HG GLU 9 2HG GLU 9 3.265 -8.259 -5.902 236 H ARG 10 H ARG 10 -0.520 -7.848 -3.614 237 HA ARG 10 HA ARG 10 -3.233 -8.110 -4.647 238 1HB ARG 10 1HB ARG 10 -1.574 -9.056 -2.464 239 2HB ARG 10 2HB ARG 10 -3.120 -8.483 -1.840 240 1HG ARG 10 1HG ARG 10 -4.341 -10.064 -3.024 241 2HG ARG 10 2HG ARG 10 -3.109 -10.227 -4.276 242 1HD ARG 10 1HD ARG 10 -1.644 -11.444 -2.728 243 2HD ARG 10 2HD ARG 10 -2.821 -11.224 -1.418 244 HE ARG 10 HE ARG 10 -4.160 -12.902 -2.406 245 1HH1 ARG 10 1HH1 ARG 10 -1.816 -11.678 -4.658 246 2HH1 ARG 10 2HH1 ARG 10 -2.205 -12.844 -5.876 247 1HH2 ARG 10 1HH2 ARG 10 -4.656 -14.411 -3.996 248 2HH2 ARG 10 2HH2 ARG 10 -3.806 -14.384 -5.505 249 H ARG 11 H ARG 11 -1.370 -5.685 -3.089 250 HA ARG 11 HA ARG 11 -3.767 -4.331 -1.966 251 1HB ARG 11 1HB ARG 11 -0.794 -3.718 -1.927 252 2HB ARG 11 2HB ARG 11 -2.030 -2.760 -1.114 253 1HG ARG 11 1HG ARG 11 -1.419 -5.687 -0.581 254 2HG ARG 11 2HG ARG 11 -0.999 -4.344 0.473 255 1HD ARG 11 1HD ARG 11 -3.079 -4.335 1.386 256 2HD ARG 11 2HD ARG 11 -3.839 -4.303 -0.211 257 HE ARG 11 HE ARG 11 -2.692 -6.898 0.279 258 1HH1 ARG 11 1HH1 ARG 11 -5.351 -4.833 1.128 259 2HH1 ARG 11 2HH1 ARG 11 -6.420 -6.151 1.474 260 1HH2 ARG 11 1HH2 ARG 11 -4.090 -8.606 0.731 261 2HH2 ARG 11 2HH2 ARG 11 -5.710 -8.276 1.250 262 H ALA 12 H ALA 12 -2.456 -4.589 -4.990 263 HA ALA 12 HA ALA 12 -2.094 -1.907 -5.914 264 1HB ALA 12 1HB ALA 12 -1.768 -4.121 -7.147 265 2HB ALA 12 2HB ALA 12 -3.520 -4.189 -7.343 266 3HB ALA 12 3HB ALA 12 -2.599 -2.881 -8.087 267 H GLU 13 H GLU 13 -4.941 -3.697 -4.950 268 HA GLU 13 HA GLU 13 -6.889 -1.848 -6.083 269 1HB GLU 13 1HB GLU 13 -7.000 -3.971 -3.908 270 2HB GLU 13 2HB GLU 13 -8.418 -3.171 -4.587 271 1HG GLU 13 1HG GLU 13 -7.993 -4.087 -6.769 272 2HG GLU 13 2HG GLU 13 -6.408 -4.683 -6.273 273 H LYS 14 H LYS 14 -5.117 -2.249 -3.050 274 HA LYS 14 HA LYS 14 -6.582 -0.140 -1.634 275 1HB LYS 14 1HB LYS 14 -3.996 -1.675 -1.200 276 2HB LYS 14 2HB LYS 14 -4.612 -0.493 -0.046 277 1HG LYS 14 1HG LYS 14 -6.466 -2.642 -0.990 278 2HG LYS 14 2HG LYS 14 -5.221 -3.069 0.187 279 1HD LYS 14 1HD LYS 14 -6.382 -0.595 1.018 280 2HD LYS 14 2HD LYS 14 -7.700 -1.706 0.646 281 1HE LYS 14 1HE LYS 14 -5.418 -2.836 2.200 282 2HE LYS 14 2HE LYS 14 -6.493 -1.708 3.052 283 1HZ LYS 14 1HZ LYS 14 -7.381 -4.045 1.440 284 2HZ LYS 14 2HZ LYS 14 -7.345 -3.985 3.138 285 3HZ LYS 14 3HZ LYS 14 -8.394 -2.968 2.278 286 H GLN 15 H GLN 15 -3.590 -0.568 -3.408 287 HA GLN 15 HA GLN 15 -2.484 2.063 -3.044 288 1HB GLN 15 1HB GLN 15 -1.999 -0.440 -4.449 289 2HB GLN 15 2HB GLN 15 -1.618 0.920 -5.488 290 1HG GLN 15 1HG GLN 15 0.121 1.620 -4.154 291 2HG GLN 15 2HG GLN 15 -0.676 1.102 -2.692 292 1HE2 GLN 15 2HE2 GLN 15 -1.079 -1.508 -2.815 293 2HE2 GLN 15 1HE2 GLN 15 0.326 -2.388 -3.199 294 H ALA 16 H ALA 16 -4.271 0.527 -5.724 295 HA ALA 16 HA ALA 16 -4.411 2.894 -7.353 296 1HB ALA 16 1HB ALA 16 -6.208 0.445 -7.169 297 2HB ALA 16 2HB ALA 16 -6.183 1.579 -8.518 298 3HB ALA 16 3HB ALA 16 -4.765 0.591 -8.171 299 H GLN 17 H GLN 17 -6.308 1.765 -4.602 300 HA GLN 17 HA GLN 17 -8.488 3.684 -5.100 301 1HB GLN 17 1HB GLN 17 -7.680 1.654 -3.042 302 2HB GLN 17 2HB GLN 17 -8.823 2.903 -2.554 303 1HG GLN 17 1HG GLN 17 -9.329 1.517 -5.149 304 2HG GLN 17 2HG GLN 17 -9.649 0.615 -3.668 305 1HE2 GLN 17 2HE2 GLN 17 -12.002 0.768 -4.254 306 2HE2 GLN 17 1HE2 GLN 17 -12.848 2.202 -3.927 307 H TRP 18 H TRP 18 -5.575 3.384 -3.197 308 HA TRP 18 HA TRP 18 -5.895 5.901 -1.750 309 1HB TRP 18 1HB TRP 18 -4.583 4.021 -0.862 310 2HB TRP 18 2HB TRP 18 -3.589 4.007 -2.307 311 HD1 TRP 18 HD1 TRP 18 -4.065 5.929 0.923 312 HE1 TRP 18 HE1 TRP 18 -2.164 7.667 1.124 313 HE3 TRP 18 HE3 TRP 18 -1.979 5.428 -3.619 314 HZ2 TRP 18 HZ2 TRP 18 -0.002 8.662 -0.462 315 HZ3 TRP 18 HZ3 TRP 18 -0.019 6.710 -4.267 316 HH2 TRP 18 HH2 TRP 18 0.988 8.318 -2.718 317 H LYS 19 H LYS 19 -3.899 4.700 -4.405 318 HA LYS 19 HA LYS 19 -2.471 7.052 -5.043 319 1HB LYS 19 1HB LYS 19 -3.455 4.679 -6.654 320 2HB LYS 19 2HB LYS 19 -2.419 5.918 -7.340 321 1HG LYS 19 1HG LYS 19 -0.676 5.454 -5.717 322 2HG LYS 19 2HG LYS 19 -1.716 4.298 -4.887 323 1HD LYS 19 1HD LYS 19 -1.324 2.662 -6.405 324 2HD LYS 19 2HD LYS 19 -1.429 3.775 -7.769 325 1HE LYS 19 1HE LYS 19 0.857 4.560 -7.353 326 2HE LYS 19 2HE LYS 19 0.967 3.523 -5.916 327 1HZ LYS 19 1HZ LYS 19 0.265 2.473 -8.597 328 2HZ LYS 19 2HZ LYS 19 1.868 2.535 -8.037 329 3HZ LYS 19 3HZ LYS 19 0.714 1.593 -7.220 330 H ALA 20 H ALA 20 -5.684 5.900 -5.933 331 HA ALA 20 HA ALA 20 -6.250 7.861 -7.913 332 1HB ALA 20 1HB ALA 20 -7.671 5.928 -6.213 333 2HB ALA 20 2HB ALA 20 -8.654 7.300 -6.723 334 3HB ALA 20 3HB ALA 20 -7.881 6.272 -7.930 335 H ALA 21 H ALA 21 -6.255 7.952 -4.412 336 HA ALA 21 HA ALA 21 -7.246 10.770 -4.517 337 1HB ALA 21 1HB ALA 21 -7.574 8.522 -2.531 338 2HB ALA 21 2HB ALA 21 -7.887 10.197 -2.075 339 3HB ALA 21 3HB ALA 21 -8.837 9.437 -3.353 340 H ASN 22 H ASN 22 -4.500 9.685 -4.756 341 HA ASN 22 HA ASN 22 -3.238 11.502 -2.808 342 1HB ASN 22 1HB ASN 22 -2.726 8.516 -2.874 343 2HB ASN 22 2HB ASN 22 -1.712 9.678 -2.019 344 1HD2 ASN 22 2HD2 ASN 22 -4.344 7.648 -1.624 345 2HD2 ASN 22 1HD2 ASN 22 -5.031 8.359 -0.245 346 HA PRO 23 HA PRO 23 -1.121 10.777 -6.967 347 1HB PRO 23 1HB PRO 23 -1.799 13.167 -8.134 348 2HB PRO 23 2HB PRO 23 -2.767 11.692 -8.335 349 1HG PRO 23 1HG PRO 23 -3.212 14.014 -6.527 350 2HG PRO 23 2HG PRO 23 -4.385 13.060 -7.451 351 1HD PRO 23 1HD PRO 23 -3.958 12.719 -4.786 352 2HD PRO 23 2HD PRO 23 -4.494 11.408 -5.850 353 H LEU 24 H LEU 24 -1.665 13.387 -4.726 354 HA LEU 24 HA LEU 24 0.653 14.990 -5.154 355 1HB LEU 24 1HB LEU 24 -0.039 15.978 -3.138 356 2HB LEU 24 2HB LEU 24 -1.517 15.142 -3.596 357 HG LEU 24 HG LEU 24 0.572 13.889 -1.785 358 1HD1 LEU 24 1HD1 LEU 24 -0.631 16.128 -1.045 359 2HD1 LEU 24 2HD1 LEU 24 -1.980 15.036 -0.733 360 3HD1 LEU 24 3HD1 LEU 24 -0.438 14.789 0.087 361 1HD2 LEU 24 1HD2 LEU 24 -1.639 12.785 -3.079 362 2HD2 LEU 24 2HD2 LEU 24 -0.846 12.106 -1.662 363 3HD2 LEU 24 3HD2 LEU 24 -2.255 13.151 -1.473 364 H LEU 25 H LEU 25 0.134 11.977 -3.431 365 HA LEU 25 HA LEU 25 3.008 11.827 -2.666 366 1HB LEU 25 1HB LEU 25 0.398 10.617 -1.806 367 2HB LEU 25 2HB LEU 25 1.860 9.657 -1.564 368 HG LEU 25 HG LEU 25 1.972 12.512 -0.720 369 1HD1 LEU 25 1HD1 LEU 25 0.107 10.489 0.403 370 2HD1 LEU 25 2HD1 LEU 25 1.061 11.401 1.573 371 3HD1 LEU 25 3HD1 LEU 25 0.012 12.250 0.438 372 1HD2 LEU 25 1HD2 LEU 25 3.759 10.578 -0.568 373 2HD2 LEU 25 2HD2 LEU 25 3.575 11.706 0.775 374 3HD2 LEU 25 3HD2 LEU 25 2.837 10.105 0.859 375 H VAL 26 H VAL 26 1.961 11.673 -5.348 376 HA VAL 26 HA VAL 26 3.017 9.033 -6.168 377 HB VAL 26 HB VAL 26 0.230 9.935 -6.067 378 1HG1 VAL 26 1HG1 VAL 26 1.394 9.130 -8.741 379 2HG1 VAL 26 2HG1 VAL 26 -0.307 8.889 -8.345 380 3HG1 VAL 26 3HG1 VAL 26 0.370 10.518 -8.363 381 1HG2 VAL 26 1HG2 VAL 26 1.643 7.332 -6.709 382 2HG2 VAL 26 2HG2 VAL 26 0.974 7.825 -5.153 383 3HG2 VAL 26 3HG2 VAL 26 -0.105 7.478 -6.506 384 H GLY 27 H GLY 27 4.595 9.664 -7.586 385 1HA GLY 27 1HA GLY 27 5.547 10.685 -9.498 386 2HA GLY 27 2HA GLY 27 3.946 11.321 -9.891 387 H VAL 28 H VAL 28 3.227 12.974 -7.961 388 HA VAL 28 HA VAL 28 4.720 15.338 -8.244 389 HB VAL 28 HB VAL 28 2.906 14.371 -6.020 390 1HG1 VAL 28 1HG1 VAL 28 4.579 16.614 -5.968 391 2HG1 VAL 28 2HG1 VAL 28 3.024 17.256 -6.499 392 3HG1 VAL 28 3HG1 VAL 28 3.138 16.371 -4.978 393 1HG2 VAL 28 1HG2 VAL 28 2.229 14.673 -8.582 394 2HG2 VAL 28 2HG2 VAL 28 1.143 15.181 -7.288 395 3HG2 VAL 28 3HG2 VAL 28 2.149 16.371 -8.114 396 H SER 29 H SER 29 6.418 16.243 -7.112 397 HA SER 29 HA SER 29 8.415 16.210 -5.871 398 1HB SER 29 1HB SER 29 6.300 15.239 -3.946 399 2HB SER 29 2HB SER 29 7.908 15.754 -3.444 400 HG SER 29 HG SER 29 6.124 17.337 -4.986 401 H ALA 30 H ALA 30 8.260 13.911 -7.452 402 HA ALA 30 HA ALA 30 9.735 11.970 -5.747 403 1HB ALA 30 1HB ALA 30 7.081 11.629 -6.216 404 2HB ALA 30 2HB ALA 30 7.743 10.838 -7.647 405 3HB ALA 30 3HB ALA 30 8.202 10.278 -6.037 406 H LYS 31 H LYS 31 10.922 13.660 -7.543 407 HA LYS 31 HA LYS 31 11.636 11.807 -9.790 408 1HB LYS 31 1HB LYS 31 10.936 14.750 -9.828 409 2HB LYS 31 2HB LYS 31 11.802 13.977 -11.155 410 1HG LYS 31 1HG LYS 31 9.668 12.248 -10.638 411 2HG LYS 31 2HG LYS 31 8.965 13.858 -10.487 412 1HD LYS 31 1HD LYS 31 10.422 14.247 -12.715 413 2HD LYS 31 2HD LYS 31 10.130 12.516 -12.876 414 1HE LYS 31 1HE LYS 31 7.691 12.903 -12.623 415 2HE LYS 31 2HE LYS 31 7.994 14.648 -12.504 416 1HZ LYS 31 1HZ LYS 31 9.037 13.023 -14.750 417 2HZ LYS 31 2HZ LYS 31 7.503 13.745 -14.811 418 3HZ LYS 31 3HZ LYS 31 8.891 14.713 -14.653 419 HA PRO 32 HA PRO 32 15.760 12.706 -8.552 420 1HB PRO 32 1HB PRO 32 17.085 12.287 -10.911 421 2HB PRO 32 2HB PRO 32 16.429 10.965 -9.923 422 1HG PRO 32 1HG PRO 32 15.322 12.218 -12.383 423 2HG PRO 32 2HG PRO 32 15.319 10.521 -11.880 424 1HD PRO 32 1HD PRO 32 13.152 12.166 -11.659 425 2HD PRO 32 2HD PRO 32 13.440 10.766 -10.602 426 H VAL 33 H VAL 33 17.787 13.914 -9.967 427 HA VAL 33 HA VAL 33 16.909 16.708 -10.029 428 HB VAL 33 HB VAL 33 19.024 15.989 -9.017 429 1HG1 VAL 33 1HG1 VAL 33 19.357 14.733 -11.689 430 2HG1 VAL 33 2HG1 VAL 33 20.807 15.450 -10.988 431 3HG1 VAL 33 3HG1 VAL 33 19.933 14.193 -10.113 432 1HG2 VAL 33 1HG2 VAL 33 18.669 18.191 -10.545 433 2HG2 VAL 33 2HG2 VAL 33 20.180 17.848 -9.702 434 3HG2 VAL 33 3HG2 VAL 33 20.013 17.448 -11.412 435 H ASN 34 H ASN 34 16.489 14.410 -12.311 436 HA ASN 34 HA ASN 34 17.625 15.613 -14.686 437 1HB ASN 34 1HB ASN 34 16.452 13.241 -14.001 438 2HB ASN 34 2HB ASN 34 15.131 14.019 -14.875 439 1HD2 ASN 34 2HD2 ASN 34 15.723 14.877 -17.123 440 2HD2 ASN 34 1HD2 ASN 34 16.901 14.038 -18.011 441 H ARG 35 H ARG 35 16.830 17.858 -13.821 442 HA ARG 35 HA ARG 35 13.990 18.463 -14.227 443 1HB ARG 35 1HB ARG 35 16.214 20.478 -13.917 444 2HB ARG 35 2HB ARG 35 14.564 20.557 -13.310 445 1HG ARG 35 1HG ARG 35 15.602 18.261 -12.107 446 2HG ARG 35 2HG ARG 35 16.940 19.406 -12.059 447 1HD ARG 35 1HD ARG 35 14.163 20.246 -11.215 448 2HD ARG 35 2HD ARG 35 15.272 19.451 -10.079 449 HE ARG 35 HE ARG 35 16.605 21.579 -11.518 450 1HH1 ARG 35 1HH1 ARG 35 14.419 20.883 -8.912 451 2HH1 ARG 35 2HH1 ARG 35 14.825 22.318 -8.032 452 1HH2 ARG 35 1HH2 ARG 35 17.125 23.440 -10.365 453 2HH2 ARG 35 2HH2 ARG 35 16.349 23.758 -8.849 454 HA PRO 36 HA PRO 36 15.747 20.761 -18.017 455 1HB PRO 36 1HB PRO 36 18.282 20.187 -18.860 456 2HB PRO 36 2HB PRO 36 17.922 21.465 -17.684 457 1HG PRO 36 1HG PRO 36 19.027 18.754 -17.248 458 2HG PRO 36 2HG PRO 36 19.343 20.259 -16.375 459 1HD PRO 36 1HD PRO 36 17.694 18.214 -15.502 460 2HD PRO 36 2HD PRO 36 17.657 19.886 -14.907 Start of MODEL 29 1 1H5* G 1 1H5* G 1 11.968 -15.836 1.798 2 2H5* G 1 2H5* G 1 13.128 -17.081 2.316 3 H4* G 1 H4* G 1 11.040 -18.661 2.300 4 H3* G 1 H3* G 1 9.778 -15.900 2.463 5 H2* G 1 H2* G 1 8.227 -16.758 4.036 6 2HO* G 1 2HO* G 1 7.496 -18.672 3.411 7 H1* G 1 H1* G 1 10.061 -18.416 5.320 8 H8 G 1 H8 G 1 11.319 -14.901 4.536 9 H1 G 1 H1 G 1 7.687 -15.351 9.816 10 1H2 G 1 1H2 G 1 6.983 -17.447 10.060 11 2H2 G 1 2H2 G 1 6.950 -18.528 8.685 12 1H5* C 2 1H5* C 2 6.073 -17.025 0.967 13 2H5* C 2 2H5* C 2 7.146 -16.652 2.333 14 H4* C 2 H4* C 2 4.740 -18.352 2.866 15 H3* C 2 H3* C 2 4.675 -15.371 2.282 16 H2* C 2 H2* C 2 3.191 -15.060 4.073 17 2HO* C 2 2HO* C 2 2.827 -17.825 4.460 18 H1* C 2 H1* C 2 4.289 -17.025 5.749 19 1H4 C 2 1H4 C 2 6.370 -11.542 8.152 20 2H4 C 2 2H4 C 2 7.592 -11.427 6.907 21 H5 C 2 H5 C 2 7.357 -12.703 4.820 22 H6 C 2 H6 C 2 6.702 -14.926 3.999 23 1H5* C 3 1H5* C 3 0.302 -13.837 1.557 24 2H5* C 3 2H5* C 3 1.462 -12.568 1.996 25 H4* C 3 H4* C 3 -0.075 -14.431 3.808 26 H3* C 3 H3* C 3 0.233 -11.437 3.512 27 H2* C 3 H2* C 3 -0.011 -11.153 5.829 28 2HO* C 3 2HO* C 3 -1.715 -12.349 6.412 29 H1* C 3 H1* C 3 1.379 -13.439 6.603 30 1H4 C 3 1H4 C 3 5.457 -8.563 7.149 31 2H4 C 3 2H4 C 3 5.805 -8.646 5.438 32 H5 C 3 H5 C 3 4.785 -10.316 4.002 33 H6 C 3 H6 C 3 3.164 -12.113 3.861 34 1H5* C 4 1H5* C 4 -3.241 -11.455 5.855 35 2H5* C 4 2H5* C 4 -4.418 -10.377 5.070 36 H4* C 4 H4* C 4 -3.988 -9.615 7.342 37 H3* C 4 H3* C 4 -2.723 -7.856 5.203 38 H2* C 4 H2* C 4 -2.005 -6.408 6.895 39 2HO* C 4 2HO* C 4 -2.740 -6.804 9.123 40 H1* C 4 H1* C 4 -1.431 -8.412 8.765 41 1H4 C 4 1H4 C 4 4.286 -7.064 6.426 42 2H4 C 4 2H4 C 4 3.689 -7.045 4.786 43 H5 C 4 H5 C 4 1.809 -8.781 4.559 44 H6 C 4 H6 C 4 -0.343 -9.326 5.461 45 1H5* U 5 1H5* U 5 -5.038 -4.457 6.132 46 2H5* U 5 2H5* U 5 -3.718 -5.603 6.349 47 H4* U 5 H4* U 5 -4.247 -3.852 8.681 48 H3* U 5 H3* U 5 -3.151 -2.774 6.051 49 H2* U 5 H2* U 5 -1.569 -1.545 7.280 50 2HO* U 5 2HO* U 5 -1.820 -1.395 9.633 51 H1* U 5 H1* U 5 -1.261 -3.451 9.328 52 H3 U 5 H3 U 5 2.671 -2.445 7.177 53 H5 U 5 H5 U 5 0.930 -5.567 4.993 54 H6 U 5 H6 U 5 -1.108 -5.123 6.182 55 1H5* G 6 1H5* G 6 -2.560 -0.114 7.353 56 2H5* G 6 2H5* G 6 -3.073 1.361 8.187 57 H4* G 6 H4* G 6 -2.159 2.726 6.589 58 H3* G 6 H3* G 6 -2.801 0.532 4.586 59 H2* G 6 H2* G 6 -1.136 1.362 3.183 60 2HO* G 6 2HO* G 6 -1.924 3.715 4.098 61 H1* G 6 H1* G 6 0.606 2.203 5.229 62 H8 G 6 H8 G 6 -1.062 -1.267 4.998 63 H1 G 6 H1 G 6 4.921 -0.917 2.669 64 1H2 G 6 1H2 G 6 5.510 1.243 2.464 65 2H2 G 6 2H2 G 6 4.773 2.396 3.560 66 1H5* A 7 1H5* A 7 -4.722 1.591 0.618 67 2H5* A 7 2H5* A 7 -3.716 0.127 0.658 68 H4* A 7 H4* A 7 -2.976 1.596 -1.139 69 H3* A 7 H3* A 7 -1.088 1.541 1.241 70 H2* A 7 H2* A 7 0.340 3.002 0.044 71 2HO* A 7 2HO* A 7 -0.080 3.400 -2.233 72 H1* A 7 H1* A 7 -1.702 4.369 -1.265 73 H8 A 7 H8 A 7 -2.670 4.594 2.258 74 1H6 A 7 1H6 A 7 1.979 7.900 3.679 75 2H6 A 7 2H6 A 7 0.452 8.684 3.341 76 H2 A 7 H2 A 7 2.523 6.718 -0.849 77 1H5* A 8 1H5* A 8 0.942 0.945 -1.780 78 2H5* A 8 2H5* A 8 2.306 -0.179 -1.934 79 H4* A 8 H4* A 8 3.138 2.072 -2.215 80 H3* A 8 H3* A 8 3.758 0.855 0.499 81 H2* A 8 H2* A 8 4.975 2.791 1.090 82 2HO* A 8 2HO* A 8 4.759 3.702 -1.594 83 H1* A 8 H1* A 8 3.230 4.590 -0.167 84 H8 A 8 H8 A 8 1.107 2.122 1.622 85 1H6 A 8 1H6 A 8 1.752 5.478 6.615 86 2H6 A 8 2H6 A 8 1.801 3.745 6.370 87 H2 A 8 H2 A 8 5.110 6.695 3.718 88 1H5* A 9 2H5* A 9 8.384 -0.241 -2.389 89 2H5* A 9 1H5* A 9 7.331 0.550 -1.197 90 H4* A 9 H4* A 9 9.444 1.724 -2.616 91 H3* A 9 H3* A 9 7.119 2.874 -1.050 92 H2* A 9 H2* A 9 7.810 5.043 -1.705 93 2HO* A 9 2HO* A 9 9.859 5.413 -1.779 94 H1* A 9 H1* A 9 8.515 4.311 -4.308 95 H8 A 9 H8 A 9 6.052 5.390 -1.894 96 1H6 A 9 1H6 A 9 2.269 6.372 -5.304 97 2H6 A 9 2H6 A 9 1.508 4.840 -5.673 98 H2 A 9 H2 A 9 5.237 3.065 -7.821 99 1H5* A 10 1H5* A 10 9.810 1.263 3.899 100 2H5* A 10 2H5* A 10 8.191 1.729 3.344 101 H4* A 10 H4* A 10 10.181 3.925 3.558 102 H3* A 10 H3* A 10 9.143 2.372 5.930 103 H2* A 10 H2* A 10 8.657 4.353 7.093 104 2HO* A 10 2HO* A 10 10.384 5.592 5.217 105 H1* A 10 H1* A 10 7.783 5.837 4.904 106 H8 A 10 H8 A 10 6.022 2.927 4.013 107 1H6 A 10 1H6 A 10 2.030 3.815 8.519 108 2H6 A 10 2H6 A 10 2.722 2.388 7.780 109 H2 A 10 H2 A 10 5.833 6.123 9.579 110 1H5* A 11 1H5* A 11 10.520 4.650 9.102 111 2H5* A 11 2H5* A 11 11.053 3.232 10.035 112 H4* A 11 H4* A 11 8.746 4.468 10.558 113 H3* A 11 H3* A 11 9.304 1.494 10.572 114 H2* A 11 H2* A 11 7.037 1.054 11.036 115 2HO* A 11 2HO* A 11 6.892 3.786 11.765 116 H1* A 11 H1* A 11 5.963 3.078 9.477 117 H8 A 11 H8 A 11 8.733 1.389 7.576 118 1H6 A 11 1H6 A 11 5.009 -3.148 6.225 119 2H6 A 11 2H6 A 11 5.624 -1.928 5.132 120 H2 A 11 H2 A 11 2.706 -0.308 9.037 121 1H5* G 12 1H5* G 12 9.256 -1.530 13.387 122 2H5* G 12 2H5* G 12 9.150 -0.624 11.868 123 H4* G 12 H4* G 12 6.983 0.091 13.670 124 H3* G 12 H3* G 12 7.343 -2.831 12.991 125 H2* G 12 H2* G 12 5.028 -2.978 12.510 126 2HO* G 12 2HO* G 12 3.700 -1.028 12.984 127 H1* G 12 H1* G 12 4.812 -0.463 11.300 128 H8 G 12 H8 G 12 7.783 -1.509 9.628 129 H1 G 12 H1 G 12 2.926 -5.440 8.132 130 1H2 G 12 1H2 G 12 1.268 -5.177 9.543 131 2H2 G 12 2H2 G 12 1.362 -4.075 10.899 132 1H5* G 13 1H5* G 13 4.698 -3.362 16.355 133 2H5* G 13 2H5* G 13 5.402 -4.508 17.514 134 H4* G 13 H4* G 13 3.248 -5.340 16.784 135 H3* G 13 H3* G 13 5.596 -6.766 15.505 136 H2* G 13 H2* G 13 4.111 -8.156 14.367 137 2HO* G 13 2HO* G 13 2.240 -8.744 15.122 138 H1* G 13 H1* G 13 2.188 -6.215 13.849 139 H8 G 13 H8 G 13 5.509 -4.711 13.084 140 H1 G 13 H1 G 13 3.604 -9.003 8.695 141 1H2 G 13 1H2 G 13 1.527 -9.789 9.381 142 2H2 G 13 2H2 G 13 1.550 -10.211 11.080 143 1H5* G 14 1H5* G 14 0.919 -9.077 16.628 144 2H5* G 14 2H5* G 14 1.137 -9.867 18.206 145 H4* G 14 H4* G 14 0.597 -11.692 16.874 146 H3* G 14 H3* G 14 3.606 -11.397 16.607 147 H2* G 14 H2* G 14 3.573 -13.307 15.199 148 2HO* G 14 2HO* G 14 0.839 -13.768 15.555 149 H1* G 14 H1* G 14 1.204 -12.620 13.890 150 H8 G 14 H8 G 14 3.738 -9.817 14.519 151 H1 G 14 H1 G 14 4.626 -13.116 9.061 152 1H2 G 14 1H2 G 14 3.000 -14.662 8.890 153 2H2 G 14 2H2 G 14 2.393 -15.355 10.377 154 1H5* C 15 1H5* C 15 2.214 -15.440 16.996 155 2H5* C 15 2H5* C 15 3.254 -16.308 18.146 156 H4* C 15 H4* C 15 2.991 -17.603 16.074 157 H3* C 15 H3* C 15 5.749 -16.398 16.475 158 H2* C 15 H2* C 15 6.442 -17.493 14.507 159 2HO* C 15 2HO* C 15 5.766 -19.545 14.688 160 H1* C 15 H1* C 15 3.962 -17.263 13.185 161 1H4 C 15 1H4 C 15 7.767 -13.091 10.325 162 2H4 C 15 2H4 C 15 8.027 -12.202 11.817 163 H5 C 15 H5 C 15 6.514 -12.589 13.735 164 H6 C 15 H6 C 15 5.115 -14.237 14.819 165 2H ASP 2 2H ASP 2 9.703 -8.813 1.096 166 1H ASP 2 1H ASP 2 9.806 -9.682 -0.360 167 3H ASP 2 3H ASP 2 11.103 -9.699 0.736 168 HA ASP 2 HA ASP 2 10.037 -11.761 1.068 169 1HB ASP 2 1HB ASP 2 8.904 -9.816 3.099 170 2HB ASP 2 2HB ASP 2 9.356 -11.497 3.372 171 H ALA 3 H ALA 3 7.679 -12.193 2.490 172 HA ALA 3 HA ALA 3 5.714 -12.530 0.468 173 1HB ALA 3 1HB ALA 3 5.474 -12.298 3.483 174 2HB ALA 3 2HB ALA 3 4.244 -12.995 2.428 175 3HB ALA 3 3HB ALA 3 5.818 -13.775 2.581 176 H GLN 4 H GLN 4 6.431 -9.784 2.515 177 HA GLN 4 HA GLN 4 3.897 -8.430 2.195 178 1HB GLN 4 1HB GLN 4 5.548 -7.979 3.990 179 2HB GLN 4 2HB GLN 4 6.693 -7.402 2.785 180 1HG GLN 4 1HG GLN 4 5.038 -5.656 2.109 181 2HG GLN 4 2HG GLN 4 3.994 -6.180 3.431 182 1HE2 GLN 4 2HE2 GLN 4 5.460 -3.554 3.057 183 2HE2 GLN 4 1HE2 GLN 4 6.385 -3.372 4.464 184 H THR 5 H THR 5 7.090 -7.811 0.743 185 HA THR 5 HA THR 5 6.362 -5.868 -1.147 186 HB THR 5 HB THR 5 8.238 -8.238 -1.495 187 HG1 THR 5 HG1 THR 5 9.086 -7.225 0.165 188 1HG2 THR 5 1HG2 THR 5 7.677 -5.769 -3.044 189 2HG2 THR 5 2HG2 THR 5 9.375 -6.208 -2.846 190 3HG2 THR 5 3HG2 THR 5 8.251 -7.342 -3.599 191 H ARG 6 H ARG 6 5.904 -9.350 -1.172 192 HA ARG 6 HA ARG 6 4.784 -9.538 -3.858 193 1HB ARG 6 1HB ARG 6 5.412 -11.207 -1.561 194 2HB ARG 6 2HB ARG 6 3.803 -11.590 -2.187 195 1HG ARG 6 1HG ARG 6 5.210 -11.395 -4.517 196 2HG ARG 6 2HG ARG 6 6.469 -11.994 -3.435 197 1HD ARG 6 1HD ARG 6 3.739 -13.289 -3.481 198 2HD ARG 6 2HD ARG 6 5.003 -13.769 -4.631 199 HE ARG 6 HE ARG 6 6.017 -13.627 -1.914 200 1HH1 ARG 6 1HH1 ARG 6 4.254 -15.565 -4.190 201 2HH1 ARG 6 2HH1 ARG 6 4.673 -17.058 -3.424 202 1HH2 ARG 6 1HH2 ARG 6 6.557 -15.572 -0.925 203 2HH2 ARG 6 2HH2 ARG 6 5.972 -17.064 -1.583 204 H ARG 7 H ARG 7 3.542 -9.434 -0.535 205 HA ARG 7 HA ARG 7 0.787 -9.629 -1.127 206 1HB ARG 7 1HB ARG 7 1.504 -9.878 1.109 207 2HB ARG 7 2HB ARG 7 2.483 -8.420 1.042 208 1HG ARG 7 1HG ARG 7 0.147 -7.227 0.693 209 2HG ARG 7 2HG ARG 7 -0.473 -8.692 1.451 210 1HD ARG 7 1HD ARG 7 0.156 -7.925 3.483 211 2HD ARG 7 2HD ARG 7 1.833 -7.771 2.925 212 HE ARG 7 HE ARG 7 -0.135 -5.605 3.016 213 1HH1 ARG 7 1HH1 ARG 7 2.736 -6.840 1.524 214 2HH1 ARG 7 2HH1 ARG 7 3.280 -5.287 1.018 215 1HH2 ARG 7 1HH2 ARG 7 0.575 -3.592 2.358 216 2HH2 ARG 7 2HH2 ARG 7 2.064 -3.450 1.486 217 H ARG 8 H ARG 8 3.011 -6.898 -1.191 218 HA ARG 8 HA ARG 8 1.230 -4.697 -1.394 219 1HB ARG 8 1HB ARG 8 3.872 -4.978 -1.354 220 2HB ARG 8 2HB ARG 8 3.701 -4.970 -3.106 221 1HG ARG 8 1HG ARG 8 4.045 -2.702 -2.586 222 2HG ARG 8 2HG ARG 8 2.295 -2.823 -2.753 223 1HD ARG 8 1HD ARG 8 2.955 -1.553 -0.701 224 2HD ARG 8 2HD ARG 8 2.066 -3.034 -0.303 225 HE ARG 8 HE ARG 8 4.051 -3.906 0.633 226 1HH1 ARG 8 1HH1 ARG 8 4.742 -1.255 -1.493 227 2HH1 ARG 8 2HH1 ARG 8 6.428 -1.232 -1.106 228 1HH2 ARG 8 1HH2 ARG 8 6.241 -3.868 1.130 229 2HH2 ARG 8 2HH2 ARG 8 7.275 -2.703 0.371 230 H GLU 9 H GLU 9 2.375 -6.965 -3.863 231 HA GLU 9 HA GLU 9 1.071 -5.701 -6.086 232 1HB GLU 9 1HB GLU 9 1.676 -8.629 -5.510 233 2HB GLU 9 2HB GLU 9 1.306 -7.970 -7.104 234 1HG GLU 9 1HG GLU 9 3.359 -6.332 -6.127 235 2HG GLU 9 2HG GLU 9 3.830 -7.965 -5.653 236 H ARG 10 H ARG 10 0.039 -7.867 -3.543 237 HA ARG 10 HA ARG 10 -2.636 -8.294 -4.614 238 1HB ARG 10 1HB ARG 10 -0.949 -9.207 -2.462 239 2HB ARG 10 2HB ARG 10 -2.496 -8.688 -1.793 240 1HG ARG 10 1HG ARG 10 -3.591 -10.452 -2.691 241 2HG ARG 10 2HG ARG 10 -2.813 -10.234 -4.258 242 1HD ARG 10 1HD ARG 10 -0.694 -11.219 -3.052 243 2HD ARG 10 2HD ARG 10 -1.883 -11.863 -1.904 244 HE ARG 10 HE ARG 10 -2.704 -12.304 -4.651 245 1HH1 ARG 10 1HH1 ARG 10 -0.662 -13.448 -2.087 246 2HH1 ARG 10 2HH1 ARG 10 -0.637 -15.076 -2.674 247 1HH2 ARG 10 1HH2 ARG 10 -2.666 -14.422 -5.405 248 2HH2 ARG 10 2HH2 ARG 10 -1.766 -15.626 -4.544 249 H ARG 11 H ARG 11 -0.976 -5.751 -2.984 250 HA ARG 11 HA ARG 11 -3.460 -4.617 -1.837 251 1HB ARG 11 1HB ARG 11 -0.569 -3.699 -1.931 252 2HB ARG 11 2HB ARG 11 -1.865 -2.843 -1.102 253 1HG ARG 11 1HG ARG 11 -0.841 -5.629 -0.476 254 2HG ARG 11 2HG ARG 11 -0.670 -4.195 0.525 255 1HD ARG 11 1HD ARG 11 -2.682 -4.599 1.490 256 2HD ARG 11 2HD ARG 11 -3.470 -4.609 -0.095 257 HE ARG 11 HE ARG 11 -1.957 -7.032 0.270 258 1HH1 ARG 11 1HH1 ARG 11 -4.870 -5.410 1.233 259 2HH1 ARG 11 2HH1 ARG 11 -5.729 -6.881 1.533 260 1HH2 ARG 11 1HH2 ARG 11 -3.084 -8.938 0.662 261 2HH2 ARG 11 2HH2 ARG 11 -4.726 -8.868 1.212 262 H ALA 12 H ALA 12 -2.119 -4.747 -4.893 263 HA ALA 12 HA ALA 12 -2.112 -2.070 -5.850 264 1HB ALA 12 1HB ALA 12 -3.157 -4.623 -7.147 265 2HB ALA 12 2HB ALA 12 -2.691 -3.161 -8.017 266 3HB ALA 12 3HB ALA 12 -1.475 -4.093 -7.143 267 H GLU 13 H GLU 13 -4.738 -4.162 -4.856 268 HA GLU 13 HA GLU 13 -6.875 -2.532 -5.992 269 1HB GLU 13 1HB GLU 13 -6.778 -4.661 -3.822 270 2HB GLU 13 2HB GLU 13 -8.262 -4.030 -4.537 271 1HG GLU 13 1HG GLU 13 -8.075 -5.567 -6.171 272 2HG GLU 13 2HG GLU 13 -6.600 -4.761 -6.707 273 H LYS 14 H LYS 14 -5.080 -2.764 -2.954 274 HA LYS 14 HA LYS 14 -6.769 -0.820 -1.547 275 1HB LYS 14 1HB LYS 14 -3.979 -1.925 -1.007 276 2HB LYS 14 2HB LYS 14 -4.996 -1.085 0.166 277 1HG LYS 14 1HG LYS 14 -5.811 -3.650 -1.222 278 2HG LYS 14 2HG LYS 14 -5.040 -3.600 0.366 279 1HD LYS 14 1HD LYS 14 -6.875 -2.436 1.335 280 2HD LYS 14 2HD LYS 14 -7.554 -2.035 -0.242 281 1HE LYS 14 1HE LYS 14 -7.388 -4.832 -0.270 282 2HE LYS 14 2HE LYS 14 -7.958 -4.434 1.362 283 1HZ LYS 14 1HZ LYS 14 -9.056 -3.086 -1.032 284 2HZ LYS 14 2HZ LYS 14 -9.700 -4.554 -0.481 285 3HZ LYS 14 3HZ LYS 14 -9.726 -3.186 0.527 286 H GLN 15 H GLN 15 -3.802 -0.949 -3.371 287 HA GLN 15 HA GLN 15 -2.907 1.761 -2.935 288 1HB GLN 15 1HB GLN 15 -2.220 -0.684 -4.393 289 2HB GLN 15 2HB GLN 15 -1.880 0.749 -5.351 290 1HG GLN 15 1HG GLN 15 -0.306 1.551 -3.844 291 2HG GLN 15 2HG GLN 15 -1.055 0.721 -2.482 292 1HE2 GLN 15 2HE2 GLN 15 -0.983 -1.798 -2.698 293 2HE2 GLN 15 1HE2 GLN 15 0.471 -2.458 -3.275 294 H ALA 16 H ALA 16 -4.519 0.116 -5.665 295 HA ALA 16 HA ALA 16 -4.846 2.495 -7.256 296 1HB ALA 16 1HB ALA 16 -4.972 0.111 -8.035 297 2HB ALA 16 2HB ALA 16 -6.502 -0.058 -7.175 298 3HB ALA 16 3HB ALA 16 -6.373 1.057 -8.536 299 H GLN 17 H GLN 17 -6.662 1.126 -4.568 300 HA GLN 17 HA GLN 17 -9.020 2.820 -5.037 301 1HB GLN 17 1HB GLN 17 -7.999 0.913 -2.934 302 2HB GLN 17 2HB GLN 17 -9.384 1.942 -2.576 303 1HG GLN 17 1HG GLN 17 -9.251 0.230 -5.062 304 2HG GLN 17 2HG GLN 17 -9.920 -0.367 -3.543 305 1HE2 GLN 17 2HE2 GLN 17 -11.548 1.435 -2.534 306 2HE2 GLN 17 1HE2 GLN 17 -12.677 2.041 -3.648 307 H TRP 18 H TRP 18 -6.086 2.826 -3.114 308 HA TRP 18 HA TRP 18 -6.725 5.261 -1.620 309 1HB TRP 18 1HB TRP 18 -5.205 3.555 -0.733 310 2HB TRP 18 2HB TRP 18 -4.205 3.656 -2.167 311 HD1 TRP 18 HD1 TRP 18 -4.863 5.452 1.109 312 HE1 TRP 18 HE1 TRP 18 -3.185 7.409 1.320 313 HE3 TRP 18 HE3 TRP 18 -2.814 5.346 -3.504 314 HZ2 TRP 18 HZ2 TRP 18 -1.224 8.738 -0.296 315 HZ3 TRP 18 HZ3 TRP 18 -1.083 6.921 -4.166 316 HH2 TRP 18 HH2 TRP 18 -0.263 8.597 -2.591 317 H LYS 19 H LYS 19 -4.626 4.339 -4.299 318 HA LYS 19 HA LYS 19 -3.497 6.880 -4.895 319 1HB LYS 19 1HB LYS 19 -4.085 4.366 -6.479 320 2HB LYS 19 2HB LYS 19 -3.273 5.748 -7.201 321 1HG LYS 19 1HG LYS 19 -1.583 5.632 -5.336 322 2HG LYS 19 2HG LYS 19 -2.318 4.106 -4.852 323 1HD LYS 19 1HD LYS 19 -0.675 3.311 -6.270 324 2HD LYS 19 2HD LYS 19 -1.984 3.539 -7.431 325 1HE LYS 19 1HE LYS 19 -1.093 5.790 -7.988 326 2HE LYS 19 2HE LYS 19 0.247 5.523 -6.855 327 1HZ LYS 19 1HZ LYS 19 0.705 3.424 -8.087 328 2HZ LYS 19 2HZ LYS 19 -0.424 3.914 -9.258 329 3HZ LYS 19 3HZ LYS 19 0.983 4.829 -8.996 330 H ALA 20 H ALA 20 -6.500 5.294 -5.827 331 HA ALA 20 HA ALA 20 -7.323 7.102 -7.846 332 1HB ALA 20 1HB ALA 20 -8.545 5.148 -5.977 333 2HB ALA 20 2HB ALA 20 -9.644 6.302 -6.730 334 3HB ALA 20 3HB ALA 20 -8.661 5.235 -7.734 335 H ALA 21 H ALA 21 -7.241 7.380 -4.364 336 HA ALA 21 HA ALA 21 -8.530 10.062 -4.592 337 1HB ALA 21 1HB ALA 21 -9.653 7.935 -3.407 338 2HB ALA 21 2HB ALA 21 -8.657 8.487 -2.061 339 3HB ALA 21 3HB ALA 21 -9.864 9.565 -2.763 340 H ASN 22 H ASN 22 -5.684 9.151 -4.591 341 HA ASN 22 HA ASN 22 -4.712 11.145 -2.642 342 1HB ASN 22 1HB ASN 22 -3.912 8.225 -2.574 343 2HB ASN 22 2HB ASN 22 -3.130 9.507 -1.652 344 1HD2 ASN 22 2HD2 ASN 22 -5.413 7.138 -1.363 345 2HD2 ASN 22 1HD2 ASN 22 -6.360 7.795 -0.117 346 HA PRO 23 HA PRO 23 -2.196 10.438 -6.584 347 1HB PRO 23 1HB PRO 23 -3.166 12.507 -8.093 348 2HB PRO 23 2HB PRO 23 -3.850 10.870 -8.162 349 1HG PRO 23 1HG PRO 23 -4.853 13.283 -6.756 350 2HG PRO 23 2HG PRO 23 -5.752 11.985 -7.558 351 1HD PRO 23 1HD PRO 23 -5.409 12.186 -4.839 352 2HD PRO 23 2HD PRO 23 -5.750 10.671 -5.687 353 H LEU 24 H LEU 24 -3.384 13.160 -4.758 354 HA LEU 24 HA LEU 24 -1.448 15.156 -5.246 355 1HB LEU 24 1HB LEU 24 -2.377 16.086 -3.287 356 2HB LEU 24 2HB LEU 24 -3.628 14.926 -3.716 357 HG LEU 24 HG LEU 24 -1.364 14.273 -1.794 358 1HD1 LEU 24 1HD1 LEU 24 -3.027 16.201 -1.178 359 2HD1 LEU 24 2HD1 LEU 24 -4.167 14.881 -0.919 360 3HD1 LEU 24 3HD1 LEU 24 -2.670 14.947 0.010 361 1HD2 LEU 24 1HD2 LEU 24 -3.279 12.629 -3.056 362 2HD2 LEU 24 2HD2 LEU 24 -2.296 12.192 -1.659 363 3HD2 LEU 24 3HD2 LEU 24 -3.906 12.878 -1.432 364 H LEU 25 H LEU 25 -1.311 12.217 -3.388 365 HA LEU 25 HA LEU 25 1.495 12.769 -2.567 366 1HB LEU 25 1HB LEU 25 -0.343 12.239 -0.894 367 2HB LEU 25 2HB LEU 25 -0.527 10.675 -1.677 368 HG LEU 25 HG LEU 25 1.103 11.153 0.472 369 1HD1 LEU 25 1HD1 LEU 25 0.976 9.109 -1.680 370 2HD1 LEU 25 2HD1 LEU 25 2.330 9.019 -0.557 371 3HD1 LEU 25 3HD1 LEU 25 0.674 8.943 0.044 372 1HD2 LEU 25 1HD2 LEU 25 2.629 12.543 -0.956 373 2HD2 LEU 25 2HD2 LEU 25 3.421 11.122 -0.276 374 3HD2 LEU 25 3HD2 LEU 25 2.914 11.125 -1.965 375 H VAL 26 H VAL 26 0.581 12.127 -5.205 376 HA VAL 26 HA VAL 26 2.175 9.704 -5.770 377 HB VAL 26 HB VAL 26 -0.744 9.903 -5.603 378 1HG1 VAL 26 1HG1 VAL 26 0.451 9.147 -8.286 379 2HG1 VAL 26 2HG1 VAL 26 -1.168 8.669 -7.773 380 3HG1 VAL 26 3HG1 VAL 26 -0.768 10.380 -7.952 381 1HG2 VAL 26 1HG2 VAL 26 1.272 7.696 -6.112 382 2HG2 VAL 26 2HG2 VAL 26 0.413 8.058 -4.613 383 3HG2 VAL 26 3HG2 VAL 26 -0.462 7.390 -5.993 384 H GLY 27 H GLY 27 3.448 10.352 -7.519 385 1HA GLY 27 1HA GLY 27 3.953 11.337 -9.625 386 2HA GLY 27 2HA GLY 27 2.251 11.795 -9.771 387 H VAL 28 H VAL 28 1.730 13.338 -7.649 388 HA VAL 28 HA VAL 28 2.763 15.904 -8.145 389 HB VAL 28 HB VAL 28 1.474 14.465 -5.844 390 1HG1 VAL 28 1HG1 VAL 28 3.006 16.104 -4.785 391 2HG1 VAL 28 2HG1 VAL 28 2.311 17.382 -5.785 392 3HG1 VAL 28 3HG1 VAL 28 1.317 16.569 -4.578 393 1HG2 VAL 28 1HG2 VAL 28 0.734 16.598 -7.836 394 2HG2 VAL 28 2HG2 VAL 28 -0.060 15.053 -7.525 395 3HG2 VAL 28 3HG2 VAL 28 -0.215 16.373 -6.366 396 H SER 29 H SER 29 4.160 17.136 -6.347 397 HA SER 29 HA SER 29 6.725 15.814 -6.170 398 1HB SER 29 1HB SER 29 5.730 18.393 -6.078 399 2HB SER 29 2HB SER 29 6.241 18.120 -4.414 400 HG SER 29 HG SER 29 8.262 18.023 -5.048 401 H ALA 30 H ALA 30 5.071 14.031 -4.950 402 HA ALA 30 HA ALA 30 4.377 13.062 -2.874 403 1HB ALA 30 1HB ALA 30 7.331 13.467 -3.112 404 2HB ALA 30 2HB ALA 30 6.704 12.744 -1.631 405 3HB ALA 30 3HB ALA 30 6.393 11.973 -3.187 406 H LYS 31 H LYS 31 3.426 15.494 -2.485 407 HA LYS 31 HA LYS 31 4.293 16.197 0.279 408 1HB LYS 31 1HB LYS 31 4.196 18.614 -0.429 409 2HB LYS 31 2HB LYS 31 5.485 17.701 -1.213 410 1HG LYS 31 1HG LYS 31 4.645 18.341 -3.203 411 2HG LYS 31 2HG LYS 31 3.214 17.371 -2.860 412 1HD LYS 31 1HD LYS 31 2.576 19.522 -1.403 413 2HD LYS 31 2HD LYS 31 3.621 20.313 -2.585 414 1HE LYS 31 1HE LYS 31 2.275 19.270 -4.422 415 2HE LYS 31 2HE LYS 31 1.172 18.619 -3.193 416 1HZ LYS 31 1HZ LYS 31 0.924 20.902 -2.329 417 2HZ LYS 31 2HZ LYS 31 1.845 21.479 -3.635 418 3HZ LYS 31 3HZ LYS 31 0.345 20.740 -3.919 419 HA PRO 32 HA PRO 32 -0.201 15.964 0.385 420 1HB PRO 32 1HB PRO 32 -0.426 16.192 3.105 421 2HB PRO 32 2HB PRO 32 0.000 14.671 2.295 422 1HG PRO 32 1HG PRO 32 1.766 16.650 3.653 423 2HG PRO 32 2HG PRO 32 1.832 14.880 3.671 424 1HD PRO 32 1HD PRO 32 3.477 16.405 2.140 425 2HD PRO 32 2HD PRO 32 2.961 14.768 1.677 426 H VAL 33 H VAL 33 -1.827 17.574 0.656 427 HA VAL 33 HA VAL 33 -1.061 20.171 1.877 428 HB VAL 33 HB VAL 33 -0.293 20.213 -0.473 429 1HG1 VAL 33 1HG1 VAL 33 -3.181 19.489 -1.020 430 2HG1 VAL 33 2HG1 VAL 33 -2.116 20.164 -2.252 431 3HG1 VAL 33 3HG1 VAL 33 -1.734 18.609 -1.513 432 1HG2 VAL 33 1HG2 VAL 33 -1.264 22.262 0.624 433 2HG2 VAL 33 2HG2 VAL 33 -1.410 22.261 -1.133 434 3HG2 VAL 33 3HG2 VAL 33 -2.809 21.872 -0.132 435 H ASN 34 H ASN 34 -2.919 21.475 2.382 436 HA ASN 34 HA ASN 34 -5.397 19.962 2.779 437 1HB ASN 34 1HB ASN 34 -4.148 22.529 3.578 438 2HB ASN 34 2HB ASN 34 -5.911 22.551 3.493 439 1HD2 ASN 34 2HD2 ASN 34 -4.073 22.546 5.923 440 2HD2 ASN 34 1HD2 ASN 34 -4.591 21.222 6.851 441 H ARG 35 H ARG 35 -6.250 19.594 0.660 442 HA ARG 35 HA ARG 35 -6.711 21.918 -1.121 443 1HB ARG 35 1HB ARG 35 -7.309 18.950 -1.364 444 2HB ARG 35 2HB ARG 35 -7.450 20.128 -2.670 445 1HG ARG 35 1HG ARG 35 -4.876 20.534 -1.644 446 2HG ARG 35 2HG ARG 35 -5.075 18.781 -1.657 447 1HD ARG 35 1HD ARG 35 -4.176 19.511 -3.823 448 2HD ARG 35 2HD ARG 35 -5.843 18.948 -4.053 449 HE ARG 35 HE ARG 35 -6.076 21.665 -3.435 450 1HH1 ARG 35 1HH1 ARG 35 -4.493 19.732 -5.844 451 2HH1 ARG 35 2HH1 ARG 35 -4.594 20.956 -7.063 452 1HH2 ARG 35 2HH2 ARG 35 -6.203 23.251 -5.028 453 2HH2 ARG 35 1HH2 ARG 35 -5.557 22.938 -6.604 454 HA PRO 36 HA PRO 36 -10.773 22.092 0.864 455 1HB PRO 36 1HB PRO 36 -11.436 24.568 -0.090 456 2HB PRO 36 2HB PRO 36 -10.386 24.328 1.320 457 1HG PRO 36 1HG PRO 36 -9.668 25.013 -1.478 458 2HG PRO 36 2HG PRO 36 -8.936 25.548 0.042 459 1HD PRO 36 1HD PRO 36 -7.879 23.608 -1.593 460 2HD PRO 36 2HD PRO 36 -7.543 23.751 0.144
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