NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615281 | 5n14 | 34094 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 62 HA PRO 62 -10.702 -6.574 -3.642 2 HB2 PRO 62 HB2 PRO 62 -12.057 -5.372 -1.373 3 HB3 PRO 62 HB3 PRO 62 -11.878 -4.766 -3.039 4 HG2 PRO 62 HG2 PRO 62 -14.124 -6.411 -1.838 5 HG3 PRO 62 HG3 PRO 62 -14.229 -5.092 -3.047 6 HD2 PRO 62 HD2 PRO 62 -14.429 -7.599 -3.920 7 HD3 PRO 62 HD3 PRO 62 -13.294 -6.513 -4.763 8 H PHE 63 H PHE 63 -9.319 -5.876 -1.743 9 HA PHE 63 HA PHE 63 -9.553 -7.499 0.711 10 HB2 PHE 63 HB2 PHE 63 -7.875 -8.542 -1.018 11 HB3 PHE 63 HB3 PHE 63 -6.839 -7.190 -0.598 12 HD1 PHE 63 HD1 PHE 63 -8.460 -10.302 0.579 13 HD2 PHE 63 HD2 PHE 63 -5.795 -7.088 1.669 14 HE1 PHE 63 HE1 PHE 63 -7.664 -11.616 2.525 15 HE2 PHE 63 HE2 PHE 63 -5.035 -8.399 3.643 16 HZ PHE 63 HZ PHE 63 -5.930 -10.673 4.045 17 H ALA 64 H ALA 64 -8.471 -6.413 2.561 18 HA ALA 64 HA ALA 64 -8.287 -3.478 2.076 19 HB1 ALA 64 HB1 ALA 64 -9.007 -5.000 4.589 20 HB2 ALA 64 HB2 ALA 64 -8.909 -3.230 4.430 21 HB3 ALA 64 HB3 ALA 64 -10.129 -4.137 3.510 22 H CYS 65 H CYS 65 -6.708 -2.225 2.984 23 HA CYS 65 HA CYS 65 -4.150 -3.495 3.726 24 HB2 CYS 65 HB2 CYS 65 -5.097 -0.630 3.618 25 HB3 CYS 65 HB3 CYS 65 -3.412 -1.143 3.907 26 H ASP 66 H ASP 66 -3.384 -3.589 5.763 27 HA ASP 66 HA ASP 66 -4.735 -2.758 8.172 28 HB2 ASP 66 HB2 ASP 66 -3.024 -4.508 8.092 29 HB3 ASP 66 HB3 ASP 66 -1.836 -3.379 7.469 30 H ILE 67 H ILE 67 -1.786 -1.448 6.712 31 HA ILE 67 HA ILE 67 -1.650 0.889 8.118 32 HB ILE 67 HB ILE 67 -0.622 0.224 5.345 33 HG12 ILE 67 2HG1 ILE 67 0.183 -1.342 7.029 34 HG13 ILE 67 3HG1 ILE 67 1.486 -0.335 6.441 35 HG21 ILE 67 HG21 ILE 67 0.269 2.523 7.113 36 HG22 ILE 67 HG22 ILE 67 1.167 1.918 5.699 37 HG23 ILE 67 HG23 ILE 67 -0.440 2.622 5.495 38 HD11 ILE 67 1HD1 ILE 67 1.351 1.047 8.522 39 HD12 ILE 67 2HD1 ILE 67 0.072 -0.032 9.129 40 HD13 ILE 67 3HD1 ILE 67 1.701 -0.655 8.838 41 H CYS 68 H CYS 68 -3.706 0.561 5.278 42 HA CYS 68 HA CYS 68 -4.226 3.509 5.300 43 HB2 CYS 68 HB2 CYS 68 -4.979 1.341 3.315 44 HB3 CYS 68 HB3 CYS 68 -5.759 2.907 3.366 45 H GLY 69 H GLY 69 -5.608 0.478 6.505 46 HA2 GLY 69 HA2 GLY 69 -7.709 -0.138 7.145 47 HA3 GLY 69 HA3 GLY 69 -7.975 1.561 7.554 48 H ARG 70 H ARG 70 -7.409 0.328 4.260 49 HA ARG 70 HA ARG 70 -10.195 1.001 3.432 50 HB2 ARG 70 HB2 ARG 70 -7.648 2.079 2.150 51 HB3 ARG 70 HB3 ARG 70 -9.243 2.222 1.432 52 HG2 ARG 70 HG2 ARG 70 -8.354 3.504 4.039 53 HG3 ARG 70 HG3 ARG 70 -8.541 4.316 2.482 54 HD2 ARG 70 HD2 ARG 70 -10.953 3.852 2.525 55 HD3 ARG 70 HD3 ARG 70 -10.782 2.962 4.012 56 HE ARG 70 HE ARG 70 -9.969 5.833 3.935 57 HH11 ARG 70 1HH1 ARG 70 -11.121 7.254 5.310 58 HH12 ARG 70 2HH1 ARG 70 -12.639 6.698 5.980 59 HH21 ARG 70 1HH2 ARG 70 -12.243 3.476 5.236 60 HH22 ARG 70 2HH2 ARG 70 -13.242 4.725 5.941 61 H LYS 71 H LYS 71 -10.883 0.160 1.441 62 HA LYS 71 HA LYS 71 -9.771 -2.491 0.782 63 HB2 LYS 71 HB2 LYS 71 -12.237 -0.981 -0.189 64 HB3 LYS 71 HB3 LYS 71 -11.765 -2.597 -0.742 65 HG2 LYS 71 HG2 LYS 71 -11.969 -3.501 1.533 66 HG3 LYS 71 HG3 LYS 71 -12.424 -1.885 2.136 67 HD2 LYS 71 HD2 LYS 71 -14.384 -1.862 0.626 68 HD3 LYS 71 HD3 LYS 71 -13.953 -3.465 0.007 69 HE2 LYS 71 HE2 LYS 71 -14.338 -4.489 2.156 70 HE3 LYS 71 HE3 LYS 71 -14.462 -2.916 2.966 71 HZ1 LYS 71 HZ1 LYS 71 -16.516 -2.495 1.859 72 HZ2 LYS 71 HZ2 LYS 71 -16.397 -3.814 0.892 73 HZ3 LYS 71 HZ3 LYS 71 -16.624 -4.014 2.484 74 H PHE 72 H PHE 72 -8.771 -3.077 -0.970 75 HA PHE 72 HA PHE 72 -8.778 -1.437 -3.450 76 HB2 PHE 72 HB2 PHE 72 -6.333 -2.414 -1.927 77 HB3 PHE 72 HB3 PHE 72 -6.282 -1.936 -3.617 78 HD1 PHE 72 HD1 PHE 72 -6.725 0.397 -4.323 79 HD2 PHE 72 HD2 PHE 72 -6.427 -0.688 -0.152 80 HE1 PHE 72 HE1 PHE 72 -6.422 2.782 -3.723 81 HE2 PHE 72 HE2 PHE 72 -6.114 1.714 0.434 82 HZ PHE 72 HZ PHE 72 -6.117 3.442 -1.349 83 H ALA 73 H ALA 73 -7.820 -2.691 -5.275 84 HA ALA 73 HA ALA 73 -8.717 -5.475 -5.338 85 HB1 ALA 73 HB1 ALA 73 -9.121 -3.945 -7.213 86 HB2 ALA 73 HB2 ALA 73 -7.375 -3.729 -7.447 87 HB3 ALA 73 HB3 ALA 73 -8.139 -5.316 -7.715 88 H ARG 74 H ARG 74 -6.136 -5.511 -7.314 89 HA ARG 74 HA ARG 74 -4.397 -6.977 -5.360 90 HB2 ARG 74 HB2 ARG 74 -6.116 -8.423 -6.619 91 HB3 ARG 74 HB3 ARG 74 -5.188 -8.080 -8.088 92 HG2 ARG 74 HG2 ARG 74 -3.152 -9.064 -6.954 93 HG3 ARG 74 HG3 ARG 74 -4.166 -9.395 -5.536 94 HD2 ARG 74 HD2 ARG 74 -5.705 -10.718 -7.116 95 HD3 ARG 74 HD3 ARG 74 -4.387 -10.611 -8.312 96 HE ARG 74 HE ARG 74 -3.692 -11.600 -5.610 97 HH11 ARG 74 1HH1 ARG 74 -3.963 -14.876 -6.138 98 HH12 ARG 74 2HH1 ARG 74 -3.458 -13.588 -5.074 99 HH21 ARG 74 1HH2 ARG 74 -4.472 -12.757 -8.828 100 HH22 ARG 74 2HH2 ARG 74 -4.371 -14.412 -8.277 101 H SER 75 H SER 75 -4.603 -5.890 -8.726 102 HA SER 75 HA SER 75 -3.187 -4.680 -10.034 103 HB2 SER 75 HB2 SER 75 -3.179 -3.099 -7.455 104 HB3 SER 75 HB3 SER 75 -2.889 -2.470 -9.092 105 HG SER 75 HG SER 75 -4.990 -2.178 -8.964 106 H1 OUD 76 H OUD 76 -1.456 -6.308 -10.228 107 HA OUD 76 HA OUD 76 1.144 -5.276 -9.204 108 HB3 OUD 76 HB3 OUD 76 0.839 -7.739 -9.341 109 HB2 OUD 76 HB2 OUD 76 0.572 -7.616 -11.077 110 HM3 OUD 76 HM3 OUD 76 1.953 -4.850 -11.513 111 HM2 OUD 76 HM2 OUD 76 0.369 -5.297 -12.161 112 HN2 OUD 76 HN2 OUD 76 -0.496 -3.252 -11.471 113 H OUE 77 H OUE 77 -0.710 -1.423 -10.243 114 HA OUE 77 HA OUE 77 1.573 -0.762 -8.441 115 HB3 OUE 77 HB3 OUE 77 1.898 0.409 -10.595 116 HB2 OUE 77 HB2 OUE 77 0.288 1.075 -10.511 117 HG3 OUE 77 HG3 OUE 77 1.001 2.380 -8.429 118 HG2 OUE 77 HG2 OUE 77 2.620 1.709 -8.618 119 HM2 OUE 77 HM2 OUE 77 -1.233 0.428 -8.506 120 HM3 OUE 77 HM3 OUE 77 -0.004 0.697 -7.265 121 HN2 OUE 77 HN2 OUE 77 -1.222 -1.974 -7.816 122 H1 OUK 78 H OUK 78 -1.353 -3.400 -6.220 123 HA OUK 78 HA OUK 78 0.576 -2.987 -3.989 124 HB2 OUK 78 HB2 OUK 78 -0.168 -5.132 -3.043 125 HB3 OUK 78 HB3 OUK 78 -1.314 -5.354 -4.343 126 HG2 OUK 78 HG2 OUK 78 -2.534 -3.239 -3.511 127 HG3 OUK 78 HG3 OUK 78 -1.468 -3.276 -2.104 128 HD2 OUK 78 HD2 OUK 78 -2.293 -5.645 -1.620 129 HD3 OUK 78 HD3 OUK 78 -3.328 -5.538 -3.035 130 HE2 OUK 78 HE2 OUK 78 -4.840 -5.043 -1.327 131 HE3 OUK 78 HE3 OUK 78 -4.382 -3.423 -1.878 132 HZ3 OUK 78 HZ3 OUK 78 -3.428 -4.817 0.587 133 HZ1 OUK 78 HZ1 OUK 78 -4.405 -3.456 0.519 134 HZ2 OUK 78 HZ2 OUK 78 -2.815 -3.383 0.071 135 HM3 OUK 78 HM3 OUK 78 1.666 -5.059 -4.736 136 HM2 OUK 78 HM2 OUK 78 0.427 -5.309 -5.971 137 HN2 OUK 78 HN2 OUK 78 1.285 -3.514 -7.246 138 H OUR 79 H OUR 79 2.918 -2.262 -7.977 139 HA OUR 79 HA OUR 79 5.307 -1.963 -6.204 140 HB3 OUR 79 HB3 OUR 79 5.177 -1.732 -9.259 141 HB2 OUR 79 HB2 OUR 79 6.536 -1.239 -8.274 142 HG3 OUR 79 HG3 OUR 79 7.098 -3.363 -9.175 143 HG2 OUR 79 HG2 OUR 79 6.857 -3.577 -7.455 144 HD3 OUR 79 HD3 OUR 79 5.951 -5.456 -8.853 145 HD2 OUR 79 HD2 OUR 79 4.719 -4.720 -7.828 146 HE OUR 79 HE OUR 79 3.584 -4.003 -9.629 147 HH12 OUR 79 2HH1 OUR 79 6.227 -4.986 -12.558 148 HH11 OUR 79 1HH1 OUR 79 6.042 -5.961 -11.160 149 HH22 OUR 79 2HH2 OUR 79 4.847 -3.012 -12.783 150 HM2 OUR 79 HM2 OUR 79 4.262 0.204 -8.048 151 HM3 OUR 79 HM3 OUR 79 5.346 0.360 -6.658 152 HN2 OUR 79 HN2 OUR 79 2.407 -0.196 -6.541 153 HH21 OUR 79 1HH2 OUR 79 3.638 -2.712 -11.627 154 H OUH 80 H OUH 80 1.236 1.248 -5.473 155 HA OUH 80 HA OUH 80 2.292 2.031 -2.833 156 HB2 OUH 80 HB2 OUH 80 -0.128 2.572 -4.370 157 HB3 OUH 80 HB3 OUH 80 0.492 3.387 -2.964 158 HD2 OUH 80 HD2 OUH 80 -0.388 2.377 -0.489 159 HD1 OUH 80 HD1 OUH 80 -2.253 0.893 -3.975 160 HE1 OUH 80 HE1 OUH 80 -3.630 0.271 -1.869 161 HM2 OUH 80 HM2 OUH 80 0.415 -0.356 -3.169 162 HM3 OUH 80 HM3 OUH 80 1.064 0.287 -1.659 163 HN2 OUH 80 HN2 OUH 80 2.710 -1.012 -3.771 164 H1 OUK 81 H OUK 81 4.379 -2.219 -3.097 165 HA OUK 81 HA OUK 81 5.432 -1.549 -0.384 166 HB2 OUK 81 HB2 OUK 81 6.879 -3.630 -0.627 167 HB3 OUK 81 HB3 OUK 81 5.899 -4.096 -2.013 168 HG2 OUK 81 HG2 OUK 81 3.843 -4.040 -0.475 169 HG3 OUK 81 HG3 OUK 81 4.930 -3.705 0.872 170 HD2 OUK 81 HD2 OUK 81 6.146 -5.898 0.349 171 HD3 OUK 81 HD3 OUK 81 4.971 -6.190 -0.929 172 HE2 OUK 81 HE2 OUK 81 4.218 -7.442 1.002 173 HE3 OUK 81 HE3 OUK 81 3.115 -6.062 0.822 174 HZ3 OUK 81 HZ3 OUK 81 4.380 -4.959 2.657 175 HZ1 OUK 81 HZ1 OUK 81 5.318 -6.317 2.809 176 HZ2 OUK 81 HZ2 OUK 81 3.683 -6.404 3.125 177 HM3 OUK 81 HM3 OUK 81 7.632 -1.398 -1.411 178 HM2 OUK 81 HM2 OUK 81 7.000 -1.972 -2.964 179 HN2 OUK 81 HN2 OUK 81 6.117 0.117 -3.421 180 H OUI 82 H OUI 82 5.648 2.242 -3.156 181 HA OUI 82 HA OUI 82 6.239 3.455 -0.498 182 HB OUI 82 HB OUI 82 6.246 5.612 -1.542 183 3HG1 OUI 82 3HG1 OUI 82 5.615 4.226 -4.209 184 2HG1 OUI 82 2HG1 OUI 82 4.547 5.309 -3.326 185 1HG2 OUI 82 1HG2 OUI 82 8.014 3.785 -3.248 186 2HG2 OUI 82 2HG2 OUI 82 8.336 4.142 -1.544 187 3HG2 OUI 82 3HG2 OUI 82 8.350 5.448 -2.728 188 2HD1 OUI 82 2HD1 OUI 82 7.174 6.113 -4.652 189 3HD1 OUI 82 3HD1 OUI 82 6.221 7.178 -3.593 190 1HD1 OUI 82 1HD1 OUI 82 5.534 6.581 -5.111 191 HM2 OUI 82 HM2 OUI 82 3.654 3.804 -2.087 192 HM3 OUI 82 HM3 OUI 82 4.084 4.667 -0.596 193 HN2 OUI 82 HN2 OUI 82 3.680 1.725 -0.861 194 H OUH 83 H OUH 83 3.799 0.514 0.910 195 HA OUH 83 HA OUH 83 3.060 1.793 3.478 196 HB2 OUH 83 HB2 OUH 83 3.109 -0.494 4.388 197 HB3 OUH 83 HB3 OUH 83 3.625 -1.125 2.835 198 HD2 OUH 83 HD2 OUH 83 0.956 1.612 2.472 199 HD1 OUH 83 HD1 OUH 83 1.135 -2.564 3.032 200 HE1 OUH 83 HE1 OUH 83 -1.246 -1.836 2.315 201 HM2 OUH 83 HM2 OUH 83 5.155 0.760 4.533 202 HM3 OUH 83 HM3 OUH 83 5.310 2.268 3.639 203 HN2 OUH 83 HN2 OUH 83 5.990 0.570 1.719 204 H ARG 84 H ARG 84 8.122 0.608 1.117 205 HA ARG 84 HA ARG 84 10.169 0.071 3.175 206 HB2 ARG 84 HB2 ARG 84 10.113 -0.796 0.752 207 HB3 ARG 84 HB3 ARG 84 10.545 0.837 0.237 208 HG2 ARG 84 HG2 ARG 84 12.640 0.614 1.723 209 HG3 ARG 84 HG3 ARG 84 12.174 -1.083 1.952 210 HD2 ARG 84 HD2 ARG 84 12.252 -1.373 -0.540 211 HD3 ARG 84 HD3 ARG 84 12.818 0.281 -0.697 212 HE ARG 84 HE ARG 84 14.248 -2.005 0.642 213 HH11 ARG 84 1HH1 ARG 84 16.309 1.322 -0.058 214 HH12 ARG 84 2HH1 ARG 84 14.612 1.301 -0.514 215 HH21 ARG 84 1HH2 ARG 84 17.300 -0.602 0.695 216 HH22 ARG 84 2HH2 ARG 84 16.214 -1.948 1.056 217 H LYS 85 H LYS 85 9.017 2.915 1.474 218 HA LYS 85 HA LYS 85 10.746 4.787 2.876 219 HB2 LYS 85 HB2 LYS 85 12.281 3.905 1.084 220 HB3 LYS 85 HB3 LYS 85 11.095 4.377 -0.143 221 HG2 LYS 85 HG2 LYS 85 11.405 6.713 0.355 222 HG3 LYS 85 HG3 LYS 85 12.316 6.348 1.829 223 HD2 LYS 85 HD2 LYS 85 14.199 5.552 0.483 224 HD3 LYS 85 HD3 LYS 85 13.229 5.689 -1.012 225 HE2 LYS 85 HE2 LYS 85 14.680 7.614 -0.866 226 HE3 LYS 85 HE3 LYS 85 13.010 8.128 -0.659 227 HZ1 LYS 85 HZ1 LYS 85 13.399 8.246 1.754 228 HZ2 LYS 85 HZ2 LYS 85 15.001 7.786 1.542 229 HZ3 LYS 85 HZ3 LYS 85 14.437 9.193 0.959 230 H ASP 86 H ASP 86 10.212 6.981 2.304 231 HA ASP 86 HA ASP 86 8.066 7.491 0.433 232 HB2 ASP 86 HB2 ASP 86 7.157 7.278 2.912 233 HB3 ASP 86 HB3 ASP 86 7.906 8.850 3.135 234 H1 HOH 201 H1 HOH 98 -4.497 -3.556 11.113 235 H2 HOH 201 H2 HOH 98 -4.961 -3.732 12.543 236 H1 HOH 202 H1 HOH 76 0.348 -3.887 9.991 237 H2 HOH 202 H2 HOH 76 1.064 -5.159 10.399 238 H1 HOH 203 H1 HOH 193 3.863 8.792 1.237 239 H2 HOH 203 H2 HOH 193 3.110 10.102 1.171 240 H1 HOH 204 H1 HOH 195 5.653 10.904 2.698 241 H2 HOH 204 H2 HOH 195 5.512 12.361 3.086 242 H1 HOH 205 H1 HOH 41 3.604 -9.413 -13.437 243 H2 HOH 205 H2 HOH 41 3.645 -8.060 -12.756 244 H1 HOH 206 H1 HOH 184 4.312 2.064 -10.873 245 H2 HOH 206 H2 HOH 184 5.156 1.748 -12.093 246 H1 HOH 207 H1 HOH 196 6.305 11.963 -0.780 247 H2 HOH 207 H2 HOH 196 6.866 11.162 0.380 248 H1 HOH 208 H1 HOH 192 4.314 8.066 4.748 249 H2 HOH 208 H2 HOH 192 4.736 7.385 3.467 250 H1 HOH 209 H1 HOH 198 -6.009 5.471 7.588 251 H2 HOH 209 H2 HOH 198 -6.966 4.765 6.658 252 H1 HOH 210 H1 HOH 160 0.041 4.863 -9.959 253 H2 HOH 210 H2 HOH 160 -0.209 6.130 -9.169 254 H1 HOH 211 H1 HOH 142 -9.728 3.789 7.880 255 H2 HOH 211 H2 HOH 142 -10.297 2.625 7.098 256 H1 HOH 212 H1 HOH 123 13.163 2.957 3.232 257 H2 HOH 212 H2 HOH 123 13.617 4.236 3.901 258 H1 HOH 213 H1 HOH 68 -0.397 -4.625 1.645 259 H2 HOH 213 H2 HOH 68 -1.745 -5.221 1.994 260 H1 HOH 214 H1 HOH 100 4.716 -7.721 -10.535 261 H2 HOH 214 H2 HOH 100 5.222 -8.285 -11.845 262 H1 HOH 215 H1 HOH 92 -3.817 4.201 7.570 263 H2 HOH 215 H2 HOH 92 -3.600 5.577 8.161 264 H1 HOH 216 H1 HOH 137 -17.608 -3.856 -1.458 265 H2 HOH 216 H2 HOH 137 -17.983 -4.962 -0.490 266 H1 HOH 217 H1 HOH 15 -18.100 -5.948 2.262 267 H2 HOH 217 H2 HOH 15 -18.544 -4.734 3.047 268 H1 HOH 218 H1 HOH 22 -10.872 -10.429 -1.327 269 H2 HOH 218 H2 HOH 22 -10.673 -11.916 -1.552 270 H1 HOH 219 H1 HOH 175 0.467 4.691 2.001 271 H2 HOH 219 H2 HOH 175 1.965 4.855 1.842 272 H1 HOH 220 H1 HOH 74 -10.961 -10.540 -3.553 273 H2 HOH 220 H2 HOH 74 -10.732 -10.726 -5.038 274 H1 HOH 221 H1 HOH 63 6.313 -3.700 4.498 275 H2 HOH 221 H2 HOH 63 4.875 -3.676 4.972 276 H1 HOH 222 H1 HOH 103 14.864 -3.499 2.415 277 H2 HOH 222 H2 HOH 103 15.322 -4.376 1.265 278 H1 HOH 223 H1 HOH 134 -15.113 5.467 7.186 279 H2 HOH 223 H2 HOH 134 -14.920 6.812 6.517 280 H1 HOH 224 H1 HOH 112 19.528 -1.566 1.153 281 H2 HOH 224 H2 HOH 112 19.972 -0.336 0.393 282 H1 HOH 225 H1 HOH 61 6.274 -6.606 4.963 283 H2 HOH 225 H2 HOH 61 7.082 -6.870 3.709 284 H1 HOH 226 H1 HOH 25 -3.004 -11.496 -9.879 285 H2 HOH 226 H2 HOH 25 -3.289 -12.085 -11.243 286 H1 HOH 227 H1 HOH 75 -3.396 -11.364 -3.265 287 H2 HOH 227 H2 HOH 75 -2.132 -11.981 -3.829 288 H1 HOH 228 H1 HOH 139 -16.286 -0.613 2.856 289 H2 HOH 228 H2 HOH 139 -17.774 -0.358 2.713 290 H1 HOH 229 H1 HOH 28 -5.428 -16.519 -4.877 291 H2 HOH 229 H2 HOH 28 -5.196 -17.041 -6.280 292 H1 HOH 230 H1 HOH 119 16.964 7.801 3.363 293 H2 HOH 230 H2 HOH 119 16.566 6.467 2.765 294 H1 HOH 231 H1 HOH 31 -4.880 -16.758 -8.461 295 H2 HOH 231 H2 HOH 31 -3.427 -16.717 -8.888 296 H1 HOH 232 H1 HOH 172 -1.706 3.706 -9.715 297 H2 HOH 232 H2 HOH 172 -0.653 2.787 -10.281 298 H1 HOH 233 H1 HOH 148 -9.995 9.759 6.152 299 H2 HOH 233 H2 HOH 148 -9.797 8.431 6.849 300 H1 HOH 234 H1 HOH 177 -9.456 -1.470 -6.723 301 H2 HOH 234 H2 HOH 177 -8.120 -0.959 -7.221 302 H1 HOH 235 H1 HOH 141 -12.643 -1.005 -3.373 303 H2 HOH 235 H2 HOH 141 -11.194 -1.070 -2.939 304 H1 HOH 236 H1 HOH 2 -14.110 -10.423 -1.246 305 H2 HOH 236 H2 HOH 2 -12.835 -10.626 -2.037 306 H1 HOH 237 H1 HOH 183 3.844 0.084 -11.904 307 H2 HOH 237 H2 HOH 183 4.314 -0.779 -13.057 308 H1 HOH 238 H1 HOH 37 -3.635 -15.992 -4.185 309 H2 HOH 238 H2 HOH 37 -2.635 -16.078 -3.050 310 H1 HOH 239 H1 HOH 147 -12.246 9.018 6.452 311 H2 HOH 239 H2 HOH 147 -13.424 9.464 7.296 312 H1 HOH 240 H1 HOH 106 8.532 -6.695 -10.400 313 H2 HOH 240 H2 HOH 106 8.661 -5.544 -11.377 314 H1 HOH 241 H1 HOH 30 -2.277 -9.120 -9.423 315 H2 HOH 241 H2 HOH 30 -3.419 -8.425 -10.140 316 H1 HOH 242 H1 HOH 82 8.377 -1.467 5.242 317 H2 HOH 242 H2 HOH 82 8.968 -2.711 4.620 318 H1 HOH 243 H1 HOH 168 -1.637 -0.856 -12.489 319 H2 HOH 243 H2 HOH 168 -2.318 -2.173 -12.169 320 H1 HOH 244 H1 HOH 173 -4.845 -0.090 -9.955 321 H2 HOH 244 H2 HOH 173 -6.229 0.506 -10.057 322 H1 HOH 245 H1 HOH 79 3.737 -8.184 -6.212 323 H2 HOH 245 H2 HOH 79 2.868 -8.041 -7.444 324 H1 HOH 246 H1 HOH 69 2.324 -4.909 5.247 325 H2 HOH 246 H2 HOH 69 1.700 -6.285 5.230 326 H1 HOH 247 H1 HOH 166 -11.353 -7.639 -6.637 327 H2 HOH 247 H2 HOH 166 -9.900 -7.299 -6.387 328 H1 HOH 248 H1 HOH 162 -3.567 1.834 -5.659 329 H2 HOH 248 H2 HOH 162 -3.294 0.755 -6.681 330 H1 HOH 249 H1 HOH 150 -2.564 -4.701 -12.474 331 H2 HOH 249 H2 HOH 150 -1.680 -4.117 -13.555 332 H1 HOH 250 H1 HOH 46 5.292 -9.773 2.685 333 H2 HOH 250 H2 HOH 46 5.327 -8.597 3.639 334 H1 HOH 251 H1 HOH 52 1.411 -5.409 3.075 335 H2 HOH 251 H2 HOH 52 1.087 -6.200 1.822 336 H1 HOH 252 H1 HOH 99 9.982 0.520 6.327 337 H2 HOH 252 H2 HOH 99 10.266 -0.786 7.036 338 H1 HOH 253 H1 HOH 96 9.654 2.544 7.633 339 H2 HOH 253 H2 HOH 96 8.404 2.437 6.790 340 H1 HOH 254 H1 HOH 126 -14.689 9.288 3.798 341 H2 HOH 254 H2 HOH 126 -13.762 8.715 4.848 342 H1 HOH 255 H1 HOH 181 -0.406 3.901 3.667 343 H2 HOH 255 H2 HOH 181 -1.662 3.609 2.872 344 H1 HOH 256 H1 HOH 55 -1.467 -8.322 -3.357 345 H2 HOH 256 H2 HOH 55 -2.139 -7.652 -4.536 346 H1 HOH 257 H1 HOH 3 -14.581 -10.076 -3.572 347 H2 HOH 257 H2 HOH 3 -15.797 -9.477 -4.252 348 H1 HOH 258 H1 HOH 93 -0.290 -3.718 12.630 349 H2 HOH 258 H2 HOH 93 1.071 -3.823 11.980 350 H1 HOH 259 H1 HOH 133 -12.492 7.772 1.561 351 H2 HOH 259 H2 HOH 133 -13.296 7.486 2.812 352 H1 HOH 260 H1 HOH 199 6.488 -5.771 -15.830 353 H2 HOH 260 H2 HOH 199 6.037 -6.810 -14.827 354 H1 HOH 261 H1 HOH 35 -1.211 -10.970 -9.911 355 H2 HOH 261 H2 HOH 35 -0.987 -10.722 -8.430 356 H1 HOH 262 H1 HOH 197 10.510 12.411 3.110 357 H2 HOH 262 H2 HOH 197 10.840 12.246 1.644 358 H1 HOH 263 H1 HOH 151 -4.191 -5.795 -12.577 359 H2 HOH 263 H2 HOH 151 -3.924 -7.004 -11.704 360 H1 HOH 264 H1 HOH 53 -3.509 -6.417 3.028 361 H2 HOH 264 H2 HOH 53 -2.681 -7.613 2.607 362 H1 HOH 265 H1 HOH 178 -6.985 -1.625 -10.269 363 H2 HOH 265 H2 HOH 178 -8.125 -1.678 -11.262 364 H1 HOH 266 H1 HOH 50 9.031 -6.105 2.553 365 H2 HOH 266 H2 HOH 50 8.034 -5.031 2.195 366 H1 HOH 267 H1 HOH 190 4.156 10.466 5.928 367 H2 HOH 267 H2 HOH 190 4.951 10.322 4.649 368 H1 HOH 268 H1 HOH 9 -15.543 -7.004 4.560 369 H2 HOH 268 H2 HOH 9 -16.264 -6.106 3.576 370 H1 HOH 269 H1 HOH 127 -19.998 -2.998 1.736 371 H2 HOH 269 H2 HOH 127 -20.619 -3.418 3.051 372 H1 HOH 270 H1 HOH 140 -14.332 0.093 2.931 373 H2 HOH 270 H2 HOH 140 -14.072 -0.672 4.215 374 H1 HOH 271 H1 HOH 27 -5.157 -15.529 -10.298 375 H2 HOH 271 H2 HOH 27 -5.451 -15.782 -11.761 376 H1 HOH 272 H1 HOH 191 -1.763 7.243 8.740 377 H2 HOH 272 H2 HOH 191 -1.314 5.802 8.658 378 H1 HOH 273 H1 HOH 81 6.016 -0.318 6.520 379 H2 HOH 273 H2 HOH 81 5.174 0.057 7.721 380 H1 HOH 274 H1 HOH 155 0.459 -4.772 -14.331 381 H2 HOH 274 H2 HOH 155 -0.264 -4.097 -15.477 382 H1 HOH 275 H1 HOH 17 -15.042 1.833 7.195 383 H2 HOH 275 H2 HOH 17 -13.733 2.076 7.917 384 H1 HOH 276 H1 HOH 152 -7.161 -5.005 -11.128 385 H2 HOH 276 H2 HOH 152 -7.883 -3.915 -10.367 386 H1 HOH 277 H1 HOH 12 -12.731 3.407 9.896 387 H2 HOH 277 H2 HOH 12 -12.074 3.208 8.546 388 H1 HOH 278 H1 HOH 116 10.405 -1.110 -3.018 389 H2 HOH 278 H2 HOH 116 9.910 0.247 -2.564 390 H1 HOH 279 H1 HOH 187 5.487 4.525 -7.474 391 H2 HOH 279 H2 HOH 187 5.854 4.564 -8.944 392 H1 HOH 280 H1 HOH 91 7.723 6.692 6.139 393 H2 HOH 280 H2 HOH 91 8.514 6.500 4.863 394 H1 HOH 281 H1 HOH 89 1.199 5.200 8.565 395 H2 HOH 281 H2 HOH 89 0.316 4.097 9.111 396 H1 HOH 282 H1 HOH 136 -12.775 5.462 1.382 397 H2 HOH 282 H2 HOH 136 -13.802 4.384 1.106 398 H1 HOH 283 H1 HOH 88 6.308 4.120 6.646 399 H2 HOH 283 H2 HOH 88 7.727 4.550 6.343 400 H1 HOH 284 H1 HOH 71 -4.513 -14.384 -2.637 401 H2 HOH 284 H2 HOH 71 -5.484 -13.220 -2.653 402 H1 HOH 285 H1 HOH 57 -6.883 -11.280 -2.567 403 H2 HOH 285 H2 HOH 57 -5.490 -10.977 -3.073 404 H1 HOH 286 H1 HOH 146 -8.045 6.853 7.404 405 H2 HOH 286 H2 HOH 146 -8.196 7.919 8.469 406 H1 HOH 287 H1 HOH 122 17.909 4.205 -0.457 407 H2 HOH 287 H2 HOH 122 17.171 5.447 -0.003 408 H1 HOH 288 H1 HOH 182 1.941 2.082 -13.695 409 H2 HOH 288 H2 HOH 182 2.598 0.717 -13.642 410 H1 HOH 289 H1 HOH 180 -2.813 0.008 -10.689 411 H2 HOH 289 H2 HOH 180 -2.740 1.378 -10.042 412 H1 HOH 290 H1 HOH 66 1.452 -8.358 0.442 413 H2 HOH 290 H2 HOH 66 0.083 -7.766 0.705 414 H1 HOH 291 H1 HOH 194 4.920 12.110 -2.797 415 H2 HOH 291 H2 HOH 194 4.128 11.304 -1.790 416 H1 HOH 292 H1 HOH 111 11.729 -1.046 5.244 417 H2 HOH 292 H2 HOH 111 13.212 -0.845 5.012 418 H1 HOH 293 H1 HOH 83 9.268 -3.443 0.912 419 H2 HOH 293 H2 HOH 83 9.026 -3.033 2.350 420 H1 HOH 294 H1 HOH 154 -5.736 -8.518 -10.679 421 H2 HOH 294 H2 HOH 154 -4.908 -9.193 -11.753 422 H1 HOH 295 H1 HOH 5 -13.260 -0.045 7.564 423 H2 HOH 295 H2 HOH 5 -12.254 -0.316 8.661 424 H1 HOH 296 H1 HOH 110 8.260 -9.295 -10.855 425 H2 HOH 296 H2 HOH 110 7.155 -8.284 -10.634 426 H1 HOH 297 H1 HOH 179 -11.223 -2.972 -7.306 427 H2 HOH 297 H2 HOH 179 -11.445 -1.812 -8.253 428 H1 HOH 298 H1 HOH 14 -19.155 -7.493 0.853 429 H2 HOH 298 H2 HOH 14 -17.915 -7.046 0.103 430 H1 HOH 299 H1 HOH 167 -5.363 5.849 2.760 431 H2 HOH 299 H2 HOH 167 -4.955 4.454 2.336 432 H1 HOH 300 H1 HOH 39 -8.598 -15.469 -9.332 433 H2 HOH 300 H2 HOH 39 -7.171 -15.606 -9.819 434 H1 HOH 301 H1 HOH 42 3.295 -9.075 4.530 435 H2 HOH 301 H2 HOH 42 2.590 -9.124 5.871 436 H1 HOH 302 H1 HOH 48 -2.250 -8.391 -0.106 437 H2 HOH 302 H2 HOH 48 -1.922 -7.216 0.787 438 H1 HOH 303 H1 HOH 47 5.443 -6.585 -5.717 439 H2 HOH 303 H2 HOH 47 6.053 -7.728 -6.499 440 H1 HOH 304 H1 HOH 34 -6.189 -15.620 -3.019 441 H2 HOH 304 H2 HOH 34 -7.334 -15.597 -4.008 442 H1 HOH 305 H1 HOH 102 11.598 -3.306 -0.294 443 H2 HOH 305 H2 HOH 102 10.361 -3.991 -0.823 444 H1 HOH 306 H1 HOH 32 -12.894 -9.346 -7.301 445 H2 HOH 306 H2 HOH 32 -11.835 -9.092 -8.353 446 H1 HOH 307 H1 HOH 161 4.885 7.484 -9.362 447 H2 HOH 307 H2 HOH 161 3.867 6.401 -9.629 448 H1 HOH 308 H1 HOH 13 -12.570 -4.255 4.151 449 H2 HOH 308 H2 HOH 13 -12.400 -3.379 5.377 450 H1 HOH 309 H1 HOH 40 -1.647 -8.369 -13.392 451 H2 HOH 309 H2 HOH 40 -1.947 -8.150 -11.923 452 H1 HOH 310 H1 HOH 143 -11.692 1.993 -4.929 453 H2 HOH 310 H2 HOH 143 -11.323 0.743 -5.699 454 H1 HOH 311 H1 HOH 73 -6.587 -6.079 8.690 455 H2 HOH 311 H2 HOH 73 -5.703 -5.681 7.526 456 H1 HOH 312 H1 HOH 10 -7.646 -5.382 10.814 457 H2 HOH 312 H2 HOH 10 -6.282 -4.756 10.621 458 H1 HOH 313 H1 HOH 125 -14.999 0.825 -0.066 459 H2 HOH 313 H2 HOH 125 -15.786 0.307 1.119 460 H1 HOH 314 H1 HOH 174 1.507 6.576 0.570 461 H2 HOH 314 H2 HOH 174 2.110 7.907 0.167 462 H1 HOH 315 H1 HOH 33 -7.353 -13.215 -4.269 463 H2 HOH 315 H2 HOH 33 -7.786 -13.819 -5.588 464 H1 HOH 316 H1 HOH 118 14.290 0.737 6.366 465 H2 HOH 316 H2 HOH 118 15.187 0.801 5.147 466 H1 HOH 317 H1 HOH 107 15.033 -3.115 4.652 467 H2 HOH 317 H2 HOH 107 13.591 -2.796 4.319 468 H1 HOH 318 H1 HOH 60 0.023 -10.899 -4.261 469 H2 HOH 318 H2 HOH 60 0.257 -12.359 -3.945 470 H1 HOH 319 H1 HOH 157 -0.419 5.051 -5.521 471 H2 HOH 319 H2 HOH 157 -1.754 5.279 -6.195 472 H1 HOH 320 H1 HOH 59 10.755 -3.853 3.378 473 H2 HOH 320 H2 HOH 59 11.211 -2.546 3.995 474 H1 HOH 321 H1 HOH 8 -7.805 -6.822 6.932 475 H2 HOH 321 H2 HOH 8 -9.032 -5.955 6.753 476 H1 HOH 322 H1 HOH 188 -11.297 -5.344 -6.595 477 H2 HOH 322 H2 HOH 188 -12.595 -5.089 -7.329 478 H1 HOH 323 H1 HOH 120 16.768 4.515 1.854 479 H2 HOH 323 H2 HOH 120 15.571 4.268 2.753 480 H1 HOH 324 H1 HOH 7 -12.270 -6.745 3.470 481 H2 HOH 324 H2 HOH 7 -13.669 -6.161 3.433 482 H1 HOH 325 H1 HOH 29 -6.701 -18.360 -7.555 483 H2 HOH 325 H2 HOH 29 -6.883 -16.955 -8.094 484 H1 HOH 326 H1 HOH 54 -3.579 -9.211 -2.954 485 H2 HOH 326 H2 HOH 54 -3.941 -9.687 -1.561 486 H1 HOH 327 H1 HOH 78 3.541 -2.462 9.119 487 H2 HOH 327 H2 HOH 78 2.445 -3.511 9.108 488 H1 HOH 328 H1 HOH 189 6.028 8.646 6.319 489 H2 HOH 328 H2 HOH 189 5.738 7.257 5.803 490 H1 HOH 329 H1 HOH 138 -14.824 -5.486 -6.387 491 H2 HOH 329 H2 HOH 138 -14.639 -4.368 -5.377 492 H1 HOH 330 H1 HOH 65 4.282 -1.798 6.192 493 H2 HOH 330 H2 HOH 65 3.585 -2.938 6.905 494 H1 HOH 331 H1 HOH 21 -8.999 -3.769 7.748 495 H2 HOH 331 H2 HOH 21 -10.383 -3.926 7.150 496 H1 HOH 332 H1 HOH 38 1.266 -10.342 -7.717 497 H2 HOH 332 H2 HOH 38 0.418 -10.240 -6.469 498 H1 HOH 333 H1 HOH 4 -14.266 -10.364 -5.936 499 H2 HOH 333 H2 HOH 4 -14.347 -11.438 -7.002 500 H1 HOH 334 H1 HOH 117 15.324 2.613 4.001 501 H2 HOH 334 H2 HOH 117 16.797 2.695 4.344 502 H1 HOH 335 H1 HOH 145 -11.088 3.312 -1.184 503 H2 HOH 335 H2 HOH 145 -11.726 4.382 -0.321 504 H1 HOH 336 H1 HOH 26 -7.755 -13.495 -12.453 505 H2 HOH 336 H2 HOH 26 -6.936 -13.940 -11.260 506 H1 HOH 337 H1 HOH 94 4.156 1.350 6.460 507 H2 HOH 337 H2 HOH 94 3.497 2.393 7.340 508 H1 HOH 338 H1 HOH 135 -15.949 4.338 9.018 509 H2 HOH 338 H2 HOH 135 -17.223 4.635 8.257 510 H1 HOH 339 H1 HOH 153 -8.725 -6.215 -9.795 511 H2 HOH 339 H2 HOH 153 -10.128 -6.764 -9.932 512 H1 HOH 340 H1 HOH 163 2.527 9.368 -2.325 513 H2 HOH 340 H2 HOH 163 2.961 9.679 -0.907 514 H1 HOH 341 H1 HOH 124 -14.466 -6.495 -8.407 515 H2 HOH 341 H2 HOH 124 -13.351 -7.195 -7.657 516 H1 HOH 342 H1 HOH 144 -13.379 0.444 -4.400 517 H2 HOH 342 H2 HOH 144 -14.514 -0.524 -4.659 518 H1 HOH 343 H1 HOH 24 -7.974 -8.169 -9.724 519 H2 HOH 343 H2 HOH 24 -7.737 -9.624 -10.082 520 H1 HOH 344 H1 HOH 84 -9.210 -13.801 -1.225 521 H2 HOH 344 H2 HOH 84 -9.848 -13.388 0.085 522 H1 HOH 345 H1 HOH 171 1.237 6.257 -4.636 523 H2 HOH 345 H2 HOH 171 1.659 6.653 -6.038 524 H1 HOH 346 H1 HOH 132 -12.619 -3.581 -5.633 525 H2 HOH 346 H2 HOH 132 -12.739 -2.765 -4.361 526 H1 HOH 347 H1 HOH 56 -2.116 -7.388 7.684 527 H2 HOH 347 H2 HOH 56 -3.217 -7.966 6.823 528 H1 HOH 348 H1 HOH 62 1.911 -10.611 2.301 529 H2 HOH 348 H2 HOH 62 3.336 -10.100 2.246 530 H1 HOH 349 H1 HOH 149 -4.292 -3.910 -13.312 531 H2 HOH 349 H2 HOH 149 -5.498 -4.110 -14.205 532 H1 HOH 350 H1 HOH 1 -18.025 -8.684 -4.388 533 H2 HOH 350 H2 HOH 1 -17.198 -7.478 -3.989 534 H1 HOH 351 H1 HOH 185 -10.560 4.188 -4.220 535 H2 HOH 351 H2 HOH 185 -10.180 3.243 -5.341 536 H1 HOH 352 H1 HOH 97 4.493 5.514 5.406 537 H2 HOH 352 H2 HOH 97 4.250 4.084 5.857 538 H1 HOH 353 H1 HOH 113 11.400 -1.885 -4.653 539 H2 HOH 353 H2 HOH 113 10.170 -2.481 -5.306 540 H1 HOH 354 H1 HOH 115 9.004 -5.297 -8.858 541 H2 HOH 354 H2 HOH 115 9.818 -5.948 -7.760 542 H1 HOH 355 H1 HOH 129 -17.330 -4.841 -3.451 543 H2 HOH 355 H2 HOH 129 -16.363 -5.507 -4.408 544 H1 HOH 356 H1 HOH 104 16.021 -6.724 1.355 545 H2 HOH 356 H2 HOH 104 15.848 -6.330 -0.096 546 H1 HOH 357 H1 HOH 16 -16.979 -6.590 -2.054 547 H2 HOH 357 H2 HOH 16 -17.115 -8.088 -1.942 548 H1 HOH 358 H1 HOH 164 -0.002 6.502 -0.626 549 H2 HOH 358 H2 HOH 164 -1.466 6.867 -0.752 550 H1 HOH 359 H1 HOH 109 10.016 -3.314 -3.167 551 H2 HOH 359 H2 HOH 109 9.088 -4.499 -2.985 552 H1 HOH 360 H1 HOH 121 16.737 -2.014 6.368 553 H2 HOH 360 H2 HOH 121 15.572 -1.291 5.727 554 H1 HOH 361 H1 HOH 77 1.669 -9.065 -5.372 555 H2 HOH 361 H2 HOH 77 0.805 -8.904 -4.135 556 H1 HOH 362 H1 HOH 105 20.068 3.977 -1.779 557 H2 HOH 362 H2 HOH 105 18.929 4.655 -2.507 558 H1 HOH 363 H1 HOH 128 -18.254 0.048 -2.312 559 H2 HOH 363 H2 HOH 128 -16.766 -0.114 -2.093 560 H1 HOH 364 H1 HOH 130 -18.476 -3.011 -3.843 561 H2 HOH 364 H2 HOH 130 -17.703 -2.263 -2.777 562 H1 HOH 365 H1 HOH 170 0.352 6.279 -2.624 563 H2 HOH 365 H2 HOH 170 1.649 6.777 -2.025 564 H1 HOH 366 H1 HOH 11 -11.032 -8.649 6.506 565 H2 HOH 366 H2 HOH 11 -9.792 -7.984 5.947 566 H1 HOH 367 H1 HOH 44 -5.390 -7.868 7.468 567 H2 HOH 367 H2 HOH 44 -5.301 -9.379 7.525 568 H1 HOH 368 H1 HOH 64 6.343 -11.750 1.844 569 H2 HOH 368 H2 HOH 64 7.241 -10.616 1.395 570 H1 HOH 369 H1 HOH 85 0.789 2.133 11.305 571 H2 HOH 369 H2 HOH 85 0.741 3.645 11.358 572 H1 HOH 370 H1 HOH 43 0.671 -8.770 2.554 573 H2 HOH 370 H2 HOH 43 0.970 -9.224 3.971 574 H1 HOH 371 H1 HOH 72 2.277 -9.998 0.026 575 H2 HOH 371 H2 HOH 72 2.826 -9.709 -1.356 576 H1 HOH 372 H1 HOH 156 -1.472 -7.515 -15.725 577 H2 HOH 372 H2 HOH 156 -1.126 -6.390 -14.771 578 H1 HOH 373 H1 HOH 6 -12.563 -3.686 7.824 579 H2 HOH 373 H2 HOH 6 -12.217 -2.292 7.342 580 H1 HOH 374 H1 HOH 67 -0.533 -8.064 -1.533 581 H2 HOH 374 H2 HOH 67 0.716 -8.869 -1.828 582 H1 HOH 375 H1 HOH 36 -9.518 -11.155 -10.928 583 H2 HOH 375 H2 HOH 36 -8.188 -11.853 -10.773 584 H1 HOH 376 H1 HOH 49 -3.240 -9.578 1.118 585 H2 HOH 376 H2 HOH 49 -4.661 -9.397 0.632 586 H1 HOH 377 H1 HOH 45 -1.383 -9.420 2.944 587 H2 HOH 377 H2 HOH 45 -2.715 -10.032 3.327 588 H1 HOH 378 H1 HOH 23 -1.194 -10.339 -12.029 589 H2 HOH 378 H2 HOH 23 -0.106 -11.382 -12.185 590 H1 HOH 379 H1 HOH 95 6.086 1.742 9.194 591 H2 HOH 379 H2 HOH 95 4.572 1.762 9.244 592 H1 HOH 380 H1 HOH 101 12.469 -0.079 -5.392 593 H2 HOH 380 H2 HOH 101 13.631 -1.032 -5.574 594 H1 HOH 381 H1 HOH 131 -14.867 0.576 -2.527 595 H2 HOH 381 H2 HOH 131 -15.295 1.953 -2.064 596 H1 HOH 382 H1 HOH 80 6.471 -9.108 -3.244 597 H2 HOH 382 H2 HOH 80 5.541 -8.190 -4.011 598 H1 HOH 383 H1 HOH 108 11.879 -5.768 2.233 599 H2 HOH 383 H2 HOH 108 10.974 -4.907 1.373 600 H1 HOH 384 H1 HOH 176 -8.428 2.068 -6.830 601 H2 HOH 384 H2 HOH 176 -8.228 3.497 -6.371 602 H1 HOH 385 H1 HOH 87 4.717 -0.400 9.833 603 H2 HOH 385 H2 HOH 87 4.453 -1.235 11.068 604 H1 HOH 386 H1 HOH 186 3.417 8.561 -6.452 605 H2 HOH 386 H2 HOH 186 3.207 7.608 -7.611 606 H1 HOH 387 H1 HOH 20 -9.535 -10.116 5.368 607 H2 HOH 387 H2 HOH 20 -8.185 -10.118 4.685 608 H1 HOH 388 H1 HOH 114 9.467 -2.135 -7.750 609 H2 HOH 388 H2 HOH 114 9.489 -3.566 -7.255 610 H1 HOH 389 H1 HOH 158 -10.674 6.357 -3.184 611 H2 HOH 389 H2 HOH 158 -10.359 5.146 -2.330 612 H1 HOH 390 H1 HOH 86 2.529 2.781 9.786 613 H2 HOH 390 H2 HOH 86 3.228 3.828 8.943 614 H1 HOH 391 H1 HOH 18 -10.688 -14.422 2.214 615 H2 HOH 391 H2 HOH 18 -9.184 -14.244 2.176 616 H1 HOH 392 H1 HOH 90 3.268 6.334 8.623 617 H2 HOH 392 H2 HOH 90 3.568 5.313 7.548 618 H1 HOH 393 H1 HOH 159 -6.297 5.172 -6.611 619 H2 HOH 393 H2 HOH 159 -7.081 4.996 -5.328 620 H1 HOH 394 H1 HOH 70 -2.299 -11.891 4.631 621 H2 HOH 394 H2 HOH 70 -3.758 -11.675 4.964 622 H1 HOH 395 H1 HOH 165 -7.078 6.284 -3.153 623 H2 HOH 395 H2 HOH 165 -8.379 5.639 -3.589 624 H1 HOH 396 H1 HOH 169 5.367 10.851 -6.859 625 H2 HOH 396 H2 HOH 169 5.854 10.121 -5.626 626 H1 HOH 397 H1 HOH 51 -4.779 -12.884 6.978 627 H2 HOH 397 H2 HOH 51 -5.724 -12.683 5.813 628 H1 HOH 398 H1 HOH 19 -7.923 -12.219 5.345 629 H2 HOH 398 H2 HOH 19 -7.679 -13.510 4.589 630 H1 HOH 399 H1 HOH 58 -7.503 -15.502 3.371 631 H2 HOH 399 H2 HOH 58 -6.868 -14.379 2.581 Start of MODEL 2 1 HA PRO 62 HA PRO 62 -10.708 -6.579 -3.642 2 HB2 PRO 62 HB2 PRO 62 -12.063 -5.377 -1.373 3 HB3 PRO 62 HB3 PRO 62 -11.883 -4.770 -3.040 4 HG2 PRO 62 HG2 PRO 62 -14.130 -6.414 -1.837 5 HG3 PRO 62 HG3 PRO 62 -14.234 -5.095 -3.046 6 HD2 PRO 62 HD2 PRO 62 -14.436 -7.602 -3.920 7 HD3 PRO 62 HD3 PRO 62 -13.299 -6.516 -4.762 8 H PHE 63 H PHE 63 -9.326 -5.880 -1.742 9 HA PHE 63 HA PHE 63 -9.560 -7.504 0.711 10 HB2 PHE 63 HB2 PHE 63 -7.881 -8.545 -1.016 11 HB3 PHE 63 HB3 PHE 63 -6.846 -7.194 -0.598 12 HD1 PHE 63 HD1 PHE 63 -8.465 -10.305 0.580 13 HD2 PHE 63 HD2 PHE 63 -5.800 -7.093 1.668 14 HE1 PHE 63 HE1 PHE 63 -7.669 -11.620 2.525 15 HE2 PHE 63 HE2 PHE 63 -5.038 -8.401 3.642 16 HZ PHE 63 HZ PHE 63 -5.934 -10.677 4.045 17 H ALA 64 H ALA 64 -8.475 -6.418 2.561 18 HA ALA 64 HA ALA 64 -8.295 -3.482 2.077 19 HB1 ALA 64 HB1 ALA 64 -9.009 -5.006 4.590 20 HB2 ALA 64 HB2 ALA 64 -8.912 -3.235 4.431 21 HB3 ALA 64 HB3 ALA 64 -10.134 -4.143 3.513 22 H CYS 65 H CYS 65 -6.715 -2.227 2.986 23 HA CYS 65 HA CYS 65 -4.155 -3.494 3.726 24 HB2 CYS 65 HB2 CYS 65 -5.106 -0.632 3.616 25 HB3 CYS 65 HB3 CYS 65 -3.420 -1.142 3.907 26 H ASP 66 H ASP 66 -3.389 -3.588 5.762 27 HA ASP 66 HA ASP 66 -4.738 -2.761 8.173 28 HB2 ASP 66 HB2 ASP 66 -3.025 -4.512 8.088 29 HB3 ASP 66 HB3 ASP 66 -1.839 -3.379 7.467 30 H ILE 67 H ILE 67 -1.790 -1.447 6.712 31 HA ILE 67 HA ILE 67 -1.657 0.889 8.119 32 HB ILE 67 HB ILE 67 -0.630 0.232 5.342 33 HG12 ILE 67 2HG1 ILE 67 0.178 -1.340 7.019 34 HG13 ILE 67 3HG1 ILE 67 1.479 -0.329 6.434 35 HG21 ILE 67 HG21 ILE 67 0.261 2.525 7.118 36 HG22 ILE 67 HG22 ILE 67 1.157 1.925 5.701 37 HG23 ILE 67 HG23 ILE 67 -0.451 2.628 5.502 38 HD11 ILE 67 1HD1 ILE 67 1.341 1.043 8.523 39 HD12 ILE 67 2HD1 ILE 67 0.067 -0.043 9.126 40 HD13 ILE 67 3HD1 ILE 67 1.696 -0.660 8.830 41 H CYS 68 H CYS 68 -3.710 0.562 5.275 42 HA CYS 68 HA CYS 68 -4.234 3.508 5.301 43 HB2 CYS 68 HB2 CYS 68 -4.986 1.339 3.317 44 HB3 CYS 68 HB3 CYS 68 -5.766 2.905 3.367 45 H GLY 69 H GLY 69 -5.613 0.476 6.505 46 HA2 GLY 69 HA2 GLY 69 -7.714 -0.141 7.146 47 HA3 GLY 69 HA3 GLY 69 -7.981 1.558 7.554 48 H ARG 70 H ARG 70 -7.414 0.325 4.260 49 HA ARG 70 HA ARG 70 -10.202 0.998 3.433 50 HB2 ARG 70 HB2 ARG 70 -7.656 2.076 2.151 51 HB3 ARG 70 HB3 ARG 70 -9.252 2.218 1.432 52 HG2 ARG 70 HG2 ARG 70 -8.360 3.501 4.039 53 HG3 ARG 70 HG3 ARG 70 -8.548 4.312 2.480 54 HD2 ARG 70 HD2 ARG 70 -10.959 3.851 2.526 55 HD3 ARG 70 HD3 ARG 70 -10.788 2.958 4.015 56 HE ARG 70 HE ARG 70 -9.976 5.830 3.937 57 HH11 ARG 70 1HH1 ARG 70 -11.127 7.254 5.311 58 HH12 ARG 70 2HH1 ARG 70 -12.644 6.695 5.980 59 HH21 ARG 70 1HH2 ARG 70 -12.250 3.473 5.236 60 HH22 ARG 70 2HH2 ARG 70 -13.247 4.725 5.938 61 H LYS 71 H LYS 71 -10.891 0.157 1.441 62 HA LYS 71 HA LYS 71 -9.779 -2.495 0.783 63 HB2 LYS 71 HB2 LYS 71 -12.244 -0.986 -0.187 64 HB3 LYS 71 HB3 LYS 71 -11.772 -2.601 -0.740 65 HG2 LYS 71 HG2 LYS 71 -11.976 -3.503 1.534 66 HG3 LYS 71 HG3 LYS 71 -12.432 -1.889 2.138 67 HD2 LYS 71 HD2 LYS 71 -14.391 -1.865 0.628 68 HD3 LYS 71 HD3 LYS 71 -13.961 -3.469 0.011 69 HE2 LYS 71 HE2 LYS 71 -14.345 -4.494 2.158 70 HE3 LYS 71 HE3 LYS 71 -14.470 -2.922 2.967 71 HZ1 LYS 71 HZ1 LYS 71 -16.527 -2.500 1.862 72 HZ2 LYS 71 HZ2 LYS 71 -16.405 -3.818 0.894 73 HZ3 LYS 71 HZ3 LYS 71 -16.630 -4.019 2.489 74 H PHE 72 H PHE 72 -8.778 -3.081 -0.970 75 HA PHE 72 HA PHE 72 -8.788 -1.440 -3.449 76 HB2 PHE 72 HB2 PHE 72 -6.341 -2.416 -1.927 77 HB3 PHE 72 HB3 PHE 72 -6.292 -1.939 -3.616 78 HD1 PHE 72 HD1 PHE 72 -6.738 0.394 -4.324 79 HD2 PHE 72 HD2 PHE 72 -6.437 -0.689 -0.152 80 HE1 PHE 72 HE1 PHE 72 -6.437 2.779 -3.723 81 HE2 PHE 72 HE2 PHE 72 -6.125 1.712 0.433 82 HZ PHE 72 HZ PHE 72 -6.130 3.441 -1.350 83 H ALA 73 H ALA 73 -7.828 -2.697 -5.274 84 HA ALA 73 HA ALA 73 -8.724 -5.481 -5.337 85 HB1 ALA 73 HB1 ALA 73 -9.127 -3.950 -7.212 86 HB2 ALA 73 HB2 ALA 73 -7.382 -3.733 -7.446 87 HB3 ALA 73 HB3 ALA 73 -8.144 -5.321 -7.714 88 H ARG 74 H ARG 74 -6.140 -5.511 -7.312 89 HA ARG 74 HA ARG 74 -4.402 -6.979 -5.359 90 HB2 ARG 74 HB2 ARG 74 -6.120 -8.424 -6.619 91 HB3 ARG 74 HB3 ARG 74 -5.192 -8.080 -8.088 92 HG2 ARG 74 HG2 ARG 74 -3.155 -9.065 -6.953 93 HG3 ARG 74 HG3 ARG 74 -4.169 -9.395 -5.536 94 HD2 ARG 74 HD2 ARG 74 -5.708 -10.719 -7.117 95 HD3 ARG 74 HD3 ARG 74 -4.392 -10.611 -8.312 96 HE ARG 74 HE ARG 74 -3.695 -11.602 -5.612 97 HH11 ARG 74 1HH1 ARG 74 -3.967 -14.877 -6.138 98 HH12 ARG 74 2HH1 ARG 74 -3.462 -13.590 -5.076 99 HH21 ARG 74 1HH2 ARG 74 -4.477 -12.760 -8.830 100 HH22 ARG 74 2HH2 ARG 74 -4.375 -14.413 -8.277 101 H SER 75 H SER 75 -4.607 -5.889 -8.723 102 HA SER 75 HA SER 75 -3.192 -4.675 -10.030 103 HB2 SER 75 HB2 SER 75 -3.183 -3.098 -7.448 104 HB3 SER 75 HB3 SER 75 -2.892 -2.467 -9.085 105 HG SER 75 HG SER 75 -4.995 -2.176 -8.961 106 H1 OUD 76 H OUD 76 -1.461 -6.308 -10.220 107 HA OUD 76 HA OUD 76 1.139 -5.276 -9.198 108 HB3 OUD 76 HB3 OUD 76 0.828 -7.741 -9.337 109 HB2 OUD 76 HB2 OUD 76 0.568 -7.617 -11.072 110 HM3 OUD 76 HM3 OUD 76 1.947 -4.853 -11.510 111 HM2 OUD 76 HM2 OUD 76 0.362 -5.299 -12.157 112 HN2 OUD 76 HN2 OUD 76 -0.500 -3.252 -11.463 113 H OUE 77 H OUE 77 -0.707 -1.421 -10.239 114 HA OUE 77 HA OUE 77 1.582 -0.763 -8.443 115 HB3 OUE 77 HB3 OUE 77 1.900 0.413 -10.595 116 HB2 OUE 77 HB2 OUE 77 0.289 1.077 -10.507 117 HG3 OUE 77 HG3 OUE 77 1.004 2.379 -8.422 118 HG2 OUE 77 HG2 OUE 77 2.625 1.711 -8.617 119 HM2 OUE 77 HM2 OUE 77 -1.223 0.429 -8.497 120 HM3 OUE 77 HM3 OUE 77 0.009 0.695 -7.260 121 HN2 OUE 77 HN2 OUE 77 -1.209 -1.975 -7.812 122 H1 OUK 78 H OUK 78 -1.350 -3.397 -6.217 123 HA OUK 78 HA OUK 78 0.578 -2.988 -3.985 124 HB2 OUK 78 HB2 OUK 78 -0.169 -5.133 -3.040 125 HB3 OUK 78 HB3 OUK 78 -1.313 -5.353 -4.343 126 HG2 OUK 78 HG2 OUK 78 -2.533 -3.237 -3.506 127 HG3 OUK 78 HG3 OUK 78 -1.466 -3.278 -2.100 128 HD2 OUK 78 HD2 OUK 78 -2.293 -5.646 -1.618 129 HD3 OUK 78 HD3 OUK 78 -3.328 -5.538 -3.032 130 HE2 OUK 78 HE2 OUK 78 -4.840 -5.042 -1.326 131 HE3 OUK 78 HE3 OUK 78 -4.376 -3.421 -1.870 132 HZ3 OUK 78 HZ3 OUK 78 -3.432 -4.828 0.595 133 HZ1 OUK 78 HZ1 OUK 78 -4.397 -3.459 0.526 134 HZ2 OUK 78 HZ2 OUK 78 -2.807 -3.395 0.081 135 HM3 OUK 78 HM3 OUK 78 1.668 -5.058 -4.734 136 HM2 OUK 78 HM2 OUK 78 0.427 -5.309 -5.968 137 HN2 OUK 78 HN2 OUK 78 1.281 -3.513 -7.243 138 H OUR 79 H OUR 79 2.918 -2.275 -7.986 139 HA OUR 79 HA OUR 79 5.310 -1.973 -6.219 140 HB3 OUR 79 HB3 OUR 79 5.181 -1.752 -9.275 141 HB2 OUR 79 HB2 OUR 79 6.541 -1.263 -8.290 142 HG3 OUR 79 HG3 OUR 79 7.096 -3.391 -9.185 143 HG2 OUR 79 HG2 OUR 79 6.849 -3.601 -7.466 144 HD3 OUR 79 HD3 OUR 79 5.937 -5.479 -8.867 145 HD2 OUR 79 HD2 OUR 79 4.709 -4.738 -7.842 146 HE OUR 79 HE OUR 79 3.574 -4.026 -9.643 147 HH12 OUR 79 2HH1 OUR 79 6.223 -4.988 -12.574 148 HH11 OUR 79 1HH1 OUR 79 6.048 -5.963 -11.174 149 HH22 OUR 79 2HH2 OUR 79 4.841 -3.014 -12.790 150 HM2 OUR 79 HM2 OUR 79 4.260 0.182 -8.075 151 HM3 OUR 79 HM3 OUR 79 5.351 0.349 -6.692 152 HN2 OUR 79 HN2 OUR 79 2.413 -0.204 -6.554 153 HH21 OUR 79 1HH2 OUR 79 3.632 -2.721 -11.634 154 H OUH 80 H OUH 80 1.249 1.242 -5.482 155 HA OUH 80 HA OUH 80 2.346 2.057 -2.867 156 HB2 OUH 80 HB2 OUH 80 -0.063 2.660 -4.378 157 HB3 OUH 80 HB3 OUH 80 0.564 3.433 -2.951 158 HD2 OUH 80 HD2 OUH 80 -0.365 2.397 -0.409 159 HD1 OUH 80 HD1 OUH 80 -2.248 0.936 -3.929 160 HE1 OUH 80 HE1 OUH 80 -3.660 0.256 -1.879 161 HM2 OUH 80 HM2 OUH 80 0.429 -0.305 -3.157 162 HM3 OUH 80 HM3 OUH 80 1.098 0.348 -1.660 163 HN2 OUH 80 HN2 OUH 80 2.722 -0.984 -3.770 164 H1 OUK 81 H OUK 81 4.375 -2.208 -3.092 165 HA OUK 81 HA OUK 81 5.431 -1.547 -0.380 166 HB2 OUK 81 HB2 OUK 81 6.876 -3.629 -0.633 167 HB3 OUK 81 HB3 OUK 81 5.897 -4.087 -2.021 168 HG2 OUK 81 HG2 OUK 81 3.839 -4.038 -0.486 169 HG3 OUK 81 HG3 OUK 81 4.926 -3.711 0.865 170 HD2 OUK 81 HD2 OUK 81 6.142 -5.901 0.329 171 HD3 OUK 81 HD3 OUK 81 4.969 -6.185 -0.953 172 HE2 OUK 81 HE2 OUK 81 4.219 -7.451 0.973 173 HE3 OUK 81 HE3 OUK 81 3.111 -6.074 0.797 174 HZ3 OUK 81 HZ3 OUK 81 4.355 -4.974 2.642 175 HZ1 OUK 81 HZ1 OUK 81 5.320 -6.315 2.782 176 HZ2 OUK 81 HZ2 OUK 81 3.690 -6.437 3.103 177 HM3 OUK 81 HM3 OUK 81 7.630 -1.391 -1.409 178 HM2 OUK 81 HM2 OUK 81 6.999 -1.965 -2.962 179 HN2 OUK 81 HN2 OUK 81 6.111 0.123 -3.418 180 H OUI 82 H OUI 82 5.632 2.244 -3.154 181 HA OUI 82 HA OUI 82 6.234 3.462 -0.499 182 HB OUI 82 HB OUI 82 6.241 5.615 -1.548 183 3HG1 OUI 82 3HG1 OUI 82 5.606 4.225 -4.212 184 2HG1 OUI 82 2HG1 OUI 82 4.539 5.311 -3.329 185 1HG2 OUI 82 1HG2 OUI 82 8.005 3.783 -3.251 186 2HG2 OUI 82 2HG2 OUI 82 8.329 4.144 -1.549 187 3HG2 OUI 82 3HG2 OUI 82 8.343 5.445 -2.737 188 2HD1 OUI 82 2HD1 OUI 82 7.166 6.111 -4.660 189 3HD1 OUI 82 3HD1 OUI 82 6.214 7.177 -3.603 190 1HD1 OUI 82 1HD1 OUI 82 5.526 6.580 -5.119 191 HM2 OUI 82 HM2 OUI 82 3.645 3.817 -2.082 192 HM3 OUI 82 HM3 OUI 82 4.082 4.676 -0.592 193 HN2 OUI 82 HN2 OUI 82 3.672 1.736 -0.854 194 H OUH 83 H OUH 83 3.829 0.529 0.915 195 HA OUH 83 HA OUH 83 3.125 1.810 3.493 196 HB2 OUH 83 HB2 OUH 83 3.177 -0.470 4.409 197 HB3 OUH 83 HB3 OUH 83 3.683 -1.112 2.857 198 HD2 OUH 83 HD2 OUH 83 0.951 1.682 2.446 199 HD1 OUH 83 HD1 OUH 83 1.100 -2.519 3.048 200 HE1 OUH 83 HE1 OUH 83 -1.287 -1.853 2.330 201 HM2 OUH 83 HM2 OUH 83 5.233 0.827 4.523 202 HM3 OUH 83 HM3 OUH 83 5.411 2.275 3.538 203 HN2 OUH 83 HN2 OUH 83 6.024 0.525 1.685 204 H ARG 84 H ARG 84 8.141 0.631 1.111 205 HA ARG 84 HA ARG 84 10.189 0.063 3.172 206 HB2 ARG 84 HB2 ARG 84 10.139 -0.791 0.745 207 HB3 ARG 84 HB3 ARG 84 10.561 0.846 0.238 208 HG2 ARG 84 HG2 ARG 84 12.657 0.631 1.719 209 HG3 ARG 84 HG3 ARG 84 12.197 -1.068 1.952 210 HD2 ARG 84 HD2 ARG 84 12.274 -1.358 -0.543 211 HD3 ARG 84 HD3 ARG 84 12.841 0.295 -0.698 212 HE ARG 84 HE ARG 84 14.266 -1.996 0.637 213 HH11 ARG 84 1HH1 ARG 84 16.334 1.331 -0.050 214 HH12 ARG 84 2HH1 ARG 84 14.638 1.314 -0.509 215 HH21 ARG 84 1HH2 ARG 84 17.320 -0.599 0.697 216 HH22 ARG 84 2HH2 ARG 84 16.231 -1.943 1.057 217 H LYS 85 H LYS 85 9.004 2.903 1.497 218 HA LYS 85 HA LYS 85 10.734 4.786 2.883 219 HB2 LYS 85 HB2 LYS 85 12.266 3.900 1.089 220 HB3 LYS 85 HB3 LYS 85 11.077 4.367 -0.137 221 HG2 LYS 85 HG2 LYS 85 11.386 6.704 0.355 222 HG3 LYS 85 HG3 LYS 85 12.300 6.345 1.830 223 HD2 LYS 85 HD2 LYS 85 14.183 5.549 0.486 224 HD3 LYS 85 HD3 LYS 85 13.212 5.681 -1.011 225 HE2 LYS 85 HE2 LYS 85 14.661 7.610 -0.866 226 HE3 LYS 85 HE3 LYS 85 12.992 8.122 -0.660 227 HZ1 LYS 85 HZ1 LYS 85 13.383 8.242 1.754 228 HZ2 LYS 85 HZ2 LYS 85 14.985 7.783 1.541 229 HZ3 LYS 85 HZ3 LYS 85 14.421 9.188 0.958 230 H ASP 86 H ASP 86 10.198 6.972 2.313 231 HA ASP 86 HA ASP 86 8.059 7.485 0.435 232 HB2 ASP 86 HB2 ASP 86 7.145 7.283 2.912 233 HB3 ASP 86 HB3 ASP 86 7.898 8.853 3.132 234 H1 HOH 201 H1 HOH 98 -4.497 -3.556 11.113 235 H2 HOH 201 H2 HOH 98 -4.961 -3.732 12.543 236 H1 HOH 202 H1 HOH 76 0.348 -3.887 9.991 237 H2 HOH 202 H2 HOH 76 1.064 -5.159 10.399 238 H1 HOH 203 H1 HOH 193 3.863 8.792 1.237 239 H2 HOH 203 H2 HOH 193 3.110 10.102 1.171 240 H1 HOH 204 H1 HOH 195 5.653 10.904 2.698 241 H2 HOH 204 H2 HOH 195 5.512 12.361 3.086 242 H1 HOH 205 H1 HOH 184 4.312 2.064 -10.873 243 H2 HOH 205 H2 HOH 184 5.156 1.748 -12.093 244 H1 HOH 206 H1 HOH 41 3.604 -9.413 -13.437 245 H2 HOH 206 H2 HOH 41 3.645 -8.060 -12.756 246 H1 HOH 207 H1 HOH 196 6.305 11.963 -0.780 247 H2 HOH 207 H2 HOH 196 6.866 11.162 0.380 248 H1 HOH 208 H1 HOH 198 -6.009 5.471 7.588 249 H2 HOH 208 H2 HOH 198 -6.966 4.765 6.658 250 H1 HOH 209 H1 HOH 192 4.314 8.066 4.748 251 H2 HOH 209 H2 HOH 192 4.736 7.385 3.467 252 H1 HOH 210 H1 HOH 160 0.041 4.863 -9.959 253 H2 HOH 210 H2 HOH 160 -0.209 6.130 -9.169 254 H1 HOH 211 H1 HOH 142 -9.728 3.789 7.880 255 H2 HOH 211 H2 HOH 142 -10.297 2.625 7.098 256 H1 HOH 212 H1 HOH 123 13.163 2.957 3.232 257 H2 HOH 212 H2 HOH 123 13.617 4.236 3.901 258 H1 HOH 213 H1 HOH 68 -0.397 -4.625 1.645 259 H2 HOH 213 H2 HOH 68 -1.745 -5.221 1.994 260 H1 HOH 214 H1 HOH 92 -3.817 4.201 7.570 261 H2 HOH 214 H2 HOH 92 -3.600 5.577 8.161 262 H1 HOH 215 H1 HOH 100 4.716 -7.721 -10.535 263 H2 HOH 215 H2 HOH 100 5.222 -8.285 -11.845 264 H1 HOH 216 H1 HOH 15 -18.100 -5.948 2.262 265 H2 HOH 216 H2 HOH 15 -18.544 -4.734 3.047 266 H1 HOH 217 H1 HOH 175 0.467 4.691 2.001 267 H2 HOH 217 H2 HOH 175 1.965 4.855 1.842 268 H1 HOH 218 H1 HOH 137 -17.608 -3.856 -1.458 269 H2 HOH 218 H2 HOH 137 -17.983 -4.962 -0.490 270 H1 HOH 219 H1 HOH 22 -10.872 -10.429 -1.327 271 H2 HOH 219 H2 HOH 22 -10.673 -11.916 -1.552 272 H1 HOH 220 H1 HOH 74 -10.961 -10.540 -3.553 273 H2 HOH 220 H2 HOH 74 -10.732 -10.726 -5.038 274 H1 HOH 221 H1 HOH 112 19.528 -1.566 1.153 275 H2 HOH 221 H2 HOH 112 19.972 -0.336 0.393 276 H1 HOH 222 H1 HOH 134 -15.113 5.467 7.186 277 H2 HOH 222 H2 HOH 134 -14.920 6.812 6.517 278 H1 HOH 223 H1 HOH 103 14.864 -3.499 2.415 279 H2 HOH 223 H2 HOH 103 15.322 -4.376 1.265 280 H1 HOH 224 H1 HOH 61 6.274 -6.606 4.963 281 H2 HOH 224 H2 HOH 61 7.082 -6.870 3.709 282 H1 HOH 225 H1 HOH 25 -3.004 -11.496 -9.879 283 H2 HOH 225 H2 HOH 25 -3.289 -12.085 -11.243 284 H1 HOH 226 H1 HOH 75 -3.396 -11.364 -3.265 285 H2 HOH 226 H2 HOH 75 -2.132 -11.981 -3.829 286 H1 HOH 227 H1 HOH 139 -16.286 -0.613 2.856 287 H2 HOH 227 H2 HOH 139 -17.774 -0.358 2.713 288 H1 HOH 228 H1 HOH 63 6.313 -3.700 4.498 289 H2 HOH 228 H2 HOH 63 4.875 -3.676 4.972 290 H1 HOH 229 H1 HOH 28 -5.428 -16.519 -4.877 291 H2 HOH 229 H2 HOH 28 -5.196 -17.041 -6.280 292 H1 HOH 230 H1 HOH 119 16.964 7.801 3.363 293 H2 HOH 230 H2 HOH 119 16.566 6.467 2.765 294 H1 HOH 231 H1 HOH 172 -1.706 3.706 -9.715 295 H2 HOH 231 H2 HOH 172 -0.653 2.787 -10.281 296 H1 HOH 232 H1 HOH 31 -4.880 -16.758 -8.461 297 H2 HOH 232 H2 HOH 31 -3.427 -16.717 -8.888 298 H1 HOH 233 H1 HOH 148 -9.995 9.759 6.152 299 H2 HOH 233 H2 HOH 148 -9.797 8.431 6.849 300 H1 HOH 234 H1 HOH 177 -9.456 -1.470 -6.723 301 H2 HOH 234 H2 HOH 177 -8.120 -0.959 -7.221 302 H1 HOH 235 H1 HOH 141 -12.643 -1.005 -3.373 303 H2 HOH 235 H2 HOH 141 -11.194 -1.070 -2.939 304 H1 HOH 236 H1 HOH 2 -14.110 -10.423 -1.246 305 H2 HOH 236 H2 HOH 2 -12.835 -10.626 -2.037 306 H1 HOH 237 H1 HOH 183 3.844 0.084 -11.904 307 H2 HOH 237 H2 HOH 183 4.314 -0.779 -13.057 308 H1 HOH 238 H1 HOH 37 -3.635 -15.992 -4.185 309 H2 HOH 238 H2 HOH 37 -2.635 -16.078 -3.050 310 H1 HOH 239 H1 HOH 147 -12.246 9.018 6.452 311 H2 HOH 239 H2 HOH 147 -13.424 9.464 7.296 312 H1 HOH 240 H1 HOH 106 8.532 -6.695 -10.400 313 H2 HOH 240 H2 HOH 106 8.661 -5.544 -11.377 314 H1 HOH 241 H1 HOH 30 -2.277 -9.120 -9.423 315 H2 HOH 241 H2 HOH 30 -3.419 -8.425 -10.140 316 H1 HOH 242 H1 HOH 168 -1.637 -0.856 -12.489 317 H2 HOH 242 H2 HOH 168 -2.318 -2.173 -12.169 318 H1 HOH 243 H1 HOH 79 3.737 -8.184 -6.212 319 H2 HOH 243 H2 HOH 79 2.868 -8.041 -7.444 320 H1 HOH 244 H1 HOH 173 -4.845 -0.090 -9.955 321 H2 HOH 244 H2 HOH 173 -6.229 0.506 -10.057 322 H1 HOH 245 H1 HOH 69 2.324 -4.909 5.247 323 H2 HOH 245 H2 HOH 69 1.700 -6.285 5.230 324 H1 HOH 246 H1 HOH 166 -11.353 -7.639 -6.637 325 H2 HOH 246 H2 HOH 166 -9.900 -7.299 -6.387 326 H1 HOH 247 H1 HOH 82 8.377 -1.467 5.242 327 H2 HOH 247 H2 HOH 82 8.968 -2.711 4.620 328 H1 HOH 248 H1 HOH 46 5.292 -9.773 2.685 329 H2 HOH 248 H2 HOH 46 5.327 -8.597 3.639 330 H1 HOH 249 H1 HOH 150 -2.564 -4.701 -12.474 331 H2 HOH 249 H2 HOH 150 -1.680 -4.117 -13.555 332 H1 HOH 250 H1 HOH 162 -3.567 1.834 -5.659 333 H2 HOH 250 H2 HOH 162 -3.294 0.755 -6.681 334 H1 HOH 251 H1 HOH 96 9.654 2.544 7.633 335 H2 HOH 251 H2 HOH 96 8.404 2.437 6.790 336 H1 HOH 252 H1 HOH 52 1.411 -5.409 3.075 337 H2 HOH 252 H2 HOH 52 1.087 -6.200 1.822 338 H1 HOH 253 H1 HOH 126 -14.689 9.288 3.798 339 H2 HOH 253 H2 HOH 126 -13.762 8.715 4.848 340 H1 HOH 254 H1 HOH 99 9.982 0.520 6.327 341 H2 HOH 254 H2 HOH 99 10.266 -0.786 7.036 342 H1 HOH 255 H1 HOH 181 -0.406 3.901 3.667 343 H2 HOH 255 H2 HOH 181 -1.662 3.609 2.872 344 H1 HOH 256 H1 HOH 55 -1.467 -8.322 -3.357 345 H2 HOH 256 H2 HOH 55 -2.139 -7.652 -4.536 346 H1 HOH 257 H1 HOH 3 -14.581 -10.076 -3.572 347 H2 HOH 257 H2 HOH 3 -15.797 -9.477 -4.252 348 H1 HOH 258 H1 HOH 93 -0.290 -3.718 12.630 349 H2 HOH 258 H2 HOH 93 1.071 -3.823 11.980 350 H1 HOH 259 H1 HOH 133 -12.492 7.772 1.561 351 H2 HOH 259 H2 HOH 133 -13.296 7.486 2.812 352 H1 HOH 260 H1 HOH 199 6.488 -5.771 -15.830 353 H2 HOH 260 H2 HOH 199 6.037 -6.810 -14.827 354 H1 HOH 261 H1 HOH 35 -1.211 -10.970 -9.911 355 H2 HOH 261 H2 HOH 35 -0.987 -10.722 -8.430 356 H1 HOH 262 H1 HOH 151 -4.191 -5.795 -12.577 357 H2 HOH 262 H2 HOH 151 -3.924 -7.004 -11.704 358 H1 HOH 263 H1 HOH 197 10.510 12.411 3.110 359 H2 HOH 263 H2 HOH 197 10.840 12.246 1.644 360 H1 HOH 264 H1 HOH 178 -6.985 -1.625 -10.269 361 H2 HOH 264 H2 HOH 178 -8.125 -1.678 -11.262 362 H1 HOH 265 H1 HOH 53 -3.509 -6.417 3.028 363 H2 HOH 265 H2 HOH 53 -2.681 -7.613 2.607 364 H1 HOH 266 H1 HOH 9 -15.543 -7.004 4.560 365 H2 HOH 266 H2 HOH 9 -16.264 -6.106 3.576 366 H1 HOH 267 H1 HOH 50 9.031 -6.105 2.553 367 H2 HOH 267 H2 HOH 50 8.034 -5.031 2.195 368 H1 HOH 268 H1 HOH 190 4.156 10.466 5.928 369 H2 HOH 268 H2 HOH 190 4.951 10.322 4.649 370 H1 HOH 269 H1 HOH 127 -19.998 -2.998 1.736 371 H2 HOH 269 H2 HOH 127 -20.619 -3.418 3.051 372 H1 HOH 270 H1 HOH 140 -14.332 0.093 2.931 373 H2 HOH 270 H2 HOH 140 -14.072 -0.672 4.215 374 H1 HOH 271 H1 HOH 27 -5.157 -15.529 -10.298 375 H2 HOH 271 H2 HOH 27 -5.451 -15.782 -11.761 376 H1 HOH 272 H1 HOH 191 -1.763 7.243 8.740 377 H2 HOH 272 H2 HOH 191 -1.314 5.802 8.658 378 H1 HOH 273 H1 HOH 155 0.459 -4.772 -14.331 379 H2 HOH 273 H2 HOH 155 -0.264 -4.097 -15.477 380 H1 HOH 274 H1 HOH 81 6.016 -0.318 6.520 381 H2 HOH 274 H2 HOH 81 5.174 0.057 7.721 382 H1 HOH 275 H1 HOH 17 -15.042 1.833 7.195 383 H2 HOH 275 H2 HOH 17 -13.733 2.076 7.917 384 H1 HOH 276 H1 HOH 88 6.308 4.120 6.646 385 H2 HOH 276 H2 HOH 88 7.727 4.550 6.343 386 H1 HOH 277 H1 HOH 152 -7.161 -5.005 -11.128 387 H2 HOH 277 H2 HOH 152 -7.883 -3.915 -10.367 388 H1 HOH 278 H1 HOH 12 -12.731 3.407 9.896 389 H2 HOH 278 H2 HOH 12 -12.074 3.208 8.546 390 H1 HOH 279 H1 HOH 116 10.405 -1.110 -3.018 391 H2 HOH 279 H2 HOH 116 9.910 0.247 -2.564 392 H1 HOH 280 H1 HOH 91 7.723 6.692 6.139 393 H2 HOH 280 H2 HOH 91 8.514 6.500 4.863 394 H1 HOH 281 H1 HOH 187 5.487 4.525 -7.474 395 H2 HOH 281 H2 HOH 187 5.854 4.564 -8.944 396 H1 HOH 282 H1 HOH 136 -12.775 5.462 1.382 397 H2 HOH 282 H2 HOH 136 -13.802 4.384 1.106 398 H1 HOH 283 H1 HOH 89 1.199 5.200 8.565 399 H2 HOH 283 H2 HOH 89 0.316 4.097 9.111 400 H1 HOH 284 H1 HOH 71 -4.513 -14.384 -2.637 401 H2 HOH 284 H2 HOH 71 -5.484 -13.220 -2.653 402 H1 HOH 285 H1 HOH 122 17.909 4.205 -0.457 403 H2 HOH 285 H2 HOH 122 17.171 5.447 -0.003 404 H1 HOH 286 H1 HOH 182 1.941 2.082 -13.695 405 H2 HOH 286 H2 HOH 182 2.598 0.717 -13.642 406 H1 HOH 287 H1 HOH 57 -6.883 -11.280 -2.567 407 H2 HOH 287 H2 HOH 57 -5.490 -10.977 -3.073 408 H1 HOH 288 H1 HOH 146 -8.045 6.853 7.404 409 H2 HOH 288 H2 HOH 146 -8.196 7.919 8.469 410 H1 HOH 289 H1 HOH 66 1.452 -8.358 0.442 411 H2 HOH 289 H2 HOH 66 0.083 -7.766 0.705 412 H1 HOH 290 H1 HOH 180 -2.813 0.008 -10.689 413 H2 HOH 290 H2 HOH 180 -2.740 1.378 -10.042 414 H1 HOH 291 H1 HOH 194 4.920 12.110 -2.797 415 H2 HOH 291 H2 HOH 194 4.128 11.304 -1.790 416 H1 HOH 292 H1 HOH 111 11.729 -1.046 5.244 417 H2 HOH 292 H2 HOH 111 13.212 -0.845 5.012 418 H1 HOH 293 H1 HOH 83 9.268 -3.443 0.912 419 H2 HOH 293 H2 HOH 83 9.026 -3.033 2.350 420 H1 HOH 294 H1 HOH 5 -13.260 -0.045 7.564 421 H2 HOH 294 H2 HOH 5 -12.254 -0.316 8.661 422 H1 HOH 295 H1 HOH 154 -5.736 -8.518 -10.679 423 H2 HOH 295 H2 HOH 154 -4.908 -9.193 -11.753 424 H1 HOH 296 H1 HOH 110 8.260 -9.295 -10.855 425 H2 HOH 296 H2 HOH 110 7.155 -8.284 -10.634 426 H1 HOH 297 H1 HOH 14 -19.155 -7.493 0.853 427 H2 HOH 297 H2 HOH 14 -17.915 -7.046 0.103 428 H1 HOH 298 H1 HOH 179 -11.223 -2.972 -7.306 429 H2 HOH 298 H2 HOH 179 -11.445 -1.812 -8.253 430 H1 HOH 299 H1 HOH 167 -5.363 5.849 2.760 431 H2 HOH 299 H2 HOH 167 -4.955 4.454 2.336 432 H1 HOH 300 H1 HOH 39 -8.598 -15.469 -9.332 433 H2 HOH 300 H2 HOH 39 -7.171 -15.606 -9.819 434 H1 HOH 301 H1 HOH 42 3.295 -9.075 4.530 435 H2 HOH 301 H2 HOH 42 2.590 -9.124 5.871 436 H1 HOH 302 H1 HOH 48 -2.250 -8.391 -0.106 437 H2 HOH 302 H2 HOH 48 -1.922 -7.216 0.787 438 H1 HOH 303 H1 HOH 47 5.443 -6.585 -5.717 439 H2 HOH 303 H2 HOH 47 6.053 -7.728 -6.499 440 H1 HOH 304 H1 HOH 34 -6.189 -15.620 -3.019 441 H2 HOH 304 H2 HOH 34 -7.334 -15.597 -4.008 442 H1 HOH 305 H1 HOH 32 -12.894 -9.346 -7.301 443 H2 HOH 305 H2 HOH 32 -11.835 -9.092 -8.353 444 H1 HOH 306 H1 HOH 161 4.885 7.484 -9.362 445 H2 HOH 306 H2 HOH 161 3.867 6.401 -9.629 446 H1 HOH 307 H1 HOH 13 -12.570 -4.255 4.151 447 H2 HOH 307 H2 HOH 13 -12.400 -3.379 5.377 448 H1 HOH 308 H1 HOH 102 11.598 -3.306 -0.294 449 H2 HOH 308 H2 HOH 102 10.361 -3.991 -0.823 450 H1 HOH 309 H1 HOH 40 -1.647 -8.369 -13.392 451 H2 HOH 309 H2 HOH 40 -1.947 -8.150 -11.923 452 H1 HOH 310 H1 HOH 143 -11.692 1.993 -4.929 453 H2 HOH 310 H2 HOH 143 -11.323 0.743 -5.699 454 H1 HOH 311 H1 HOH 73 -6.587 -6.079 8.690 455 H2 HOH 311 H2 HOH 73 -5.703 -5.681 7.526 456 H1 HOH 312 H1 HOH 10 -7.646 -5.382 10.814 457 H2 HOH 312 H2 HOH 10 -6.282 -4.756 10.621 458 H1 HOH 313 H1 HOH 174 1.507 6.576 0.570 459 H2 HOH 313 H2 HOH 174 2.110 7.907 0.167 460 H1 HOH 314 H1 HOH 125 -14.999 0.825 -0.066 461 H2 HOH 314 H2 HOH 125 -15.786 0.307 1.119 462 H1 HOH 315 H1 HOH 33 -7.353 -13.215 -4.269 463 H2 HOH 315 H2 HOH 33 -7.786 -13.819 -5.588 464 H1 HOH 316 H1 HOH 157 -0.419 5.051 -5.521 465 H2 HOH 316 H2 HOH 157 -1.754 5.279 -6.195 466 H1 HOH 317 H1 HOH 118 14.290 0.737 6.366 467 H2 HOH 317 H2 HOH 118 15.187 0.801 5.147 468 H1 HOH 318 H1 HOH 59 10.755 -3.853 3.378 469 H2 HOH 318 H2 HOH 59 11.211 -2.546 3.995 470 H1 HOH 319 H1 HOH 107 15.033 -3.115 4.652 471 H2 HOH 319 H2 HOH 107 13.591 -2.796 4.319 472 H1 HOH 320 H1 HOH 60 0.023 -10.899 -4.261 473 H2 HOH 320 H2 HOH 60 0.257 -12.359 -3.945 474 H1 HOH 321 H1 HOH 188 -11.297 -5.344 -6.595 475 H2 HOH 321 H2 HOH 188 -12.595 -5.089 -7.329 476 H1 HOH 322 H1 HOH 8 -7.805 -6.822 6.932 477 H2 HOH 322 H2 HOH 8 -9.032 -5.955 6.753 478 H1 HOH 323 H1 HOH 120 16.768 4.515 1.854 479 H2 HOH 323 H2 HOH 120 15.571 4.268 2.753 480 H1 HOH 324 H1 HOH 29 -6.701 -18.360 -7.555 481 H2 HOH 324 H2 HOH 29 -6.883 -16.955 -8.094 482 H1 HOH 325 H1 HOH 7 -12.270 -6.745 3.470 483 H2 HOH 325 H2 HOH 7 -13.669 -6.161 3.433 484 H1 HOH 326 H1 HOH 54 -3.579 -9.211 -2.954 485 H2 HOH 326 H2 HOH 54 -3.941 -9.687 -1.561 486 H1 HOH 327 H1 HOH 78 3.541 -2.462 9.119 487 H2 HOH 327 H2 HOH 78 2.445 -3.511 9.108 488 H1 HOH 328 H1 HOH 189 6.028 8.646 6.319 489 H2 HOH 328 H2 HOH 189 5.738 7.257 5.803 490 H1 HOH 329 H1 HOH 138 -14.824 -5.486 -6.387 491 H2 HOH 329 H2 HOH 138 -14.639 -4.368 -5.377 492 H1 HOH 330 H1 HOH 65 4.282 -1.798 6.192 493 H2 HOH 330 H2 HOH 65 3.585 -2.938 6.905 494 H1 HOH 331 H1 HOH 21 -8.999 -3.769 7.748 495 H2 HOH 331 H2 HOH 21 -10.383 -3.926 7.150 496 H1 HOH 332 H1 HOH 38 1.266 -10.342 -7.717 497 H2 HOH 332 H2 HOH 38 0.418 -10.240 -6.469 498 H1 HOH 333 H1 HOH 4 -14.266 -10.364 -5.936 499 H2 HOH 333 H2 HOH 4 -14.347 -11.438 -7.002 500 H1 HOH 334 H1 HOH 117 15.324 2.613 4.001 501 H2 HOH 334 H2 HOH 117 16.797 2.695 4.344 502 H1 HOH 335 H1 HOH 145 -11.088 3.312 -1.184 503 H2 HOH 335 H2 HOH 145 -11.726 4.382 -0.321 504 H1 HOH 336 H1 HOH 26 -7.755 -13.495 -12.453 505 H2 HOH 336 H2 HOH 26 -6.936 -13.940 -11.260 506 H1 HOH 337 H1 HOH 135 -15.949 4.338 9.018 507 H2 HOH 337 H2 HOH 135 -17.223 4.635 8.257 508 H1 HOH 338 H1 HOH 153 -8.725 -6.215 -9.795 509 H2 HOH 338 H2 HOH 153 -10.128 -6.764 -9.932 510 H1 HOH 339 H1 HOH 163 2.527 9.368 -2.325 511 H2 HOH 339 H2 HOH 163 2.961 9.679 -0.907 512 H1 HOH 340 H1 HOH 124 -14.466 -6.495 -8.407 513 H2 HOH 340 H2 HOH 124 -13.351 -7.195 -7.657 514 H1 HOH 341 H1 HOH 144 -13.379 0.444 -4.400 515 H2 HOH 341 H2 HOH 144 -14.514 -0.524 -4.659 516 H1 HOH 342 H1 HOH 24 -7.974 -8.169 -9.724 517 H2 HOH 342 H2 HOH 24 -7.737 -9.624 -10.082 518 H1 HOH 343 H1 HOH 94 4.156 1.350 6.460 519 H2 HOH 343 H2 HOH 94 3.497 2.393 7.340 520 H1 HOH 344 H1 HOH 84 -9.210 -13.801 -1.225 521 H2 HOH 344 H2 HOH 84 -9.848 -13.388 0.085 522 H1 HOH 345 H1 HOH 171 1.237 6.257 -4.636 523 H2 HOH 345 H2 HOH 171 1.659 6.653 -6.038 524 H1 HOH 346 H1 HOH 132 -12.619 -3.581 -5.633 525 H2 HOH 346 H2 HOH 132 -12.739 -2.765 -4.361 526 H1 HOH 347 H1 HOH 62 1.911 -10.611 2.301 527 H2 HOH 347 H2 HOH 62 3.336 -10.100 2.246 528 H1 HOH 348 H1 HOH 56 -2.116 -7.388 7.684 529 H2 HOH 348 H2 HOH 56 -3.217 -7.966 6.823 530 H1 HOH 349 H1 HOH 1 -18.025 -8.684 -4.388 531 H2 HOH 349 H2 HOH 1 -17.198 -7.478 -3.989 532 H1 HOH 350 H1 HOH 185 -10.560 4.188 -4.220 533 H2 HOH 350 H2 HOH 185 -10.180 3.243 -5.341 534 H1 HOH 351 H1 HOH 149 -4.292 -3.910 -13.312 535 H2 HOH 351 H2 HOH 149 -5.498 -4.110 -14.205 536 H1 HOH 352 H1 HOH 97 4.493 5.514 5.406 537 H2 HOH 352 H2 HOH 97 4.250 4.084 5.857 538 H1 HOH 353 H1 HOH 113 11.400 -1.885 -4.653 539 H2 HOH 353 H2 HOH 113 10.170 -2.481 -5.306 540 H1 HOH 354 H1 HOH 115 9.004 -5.297 -8.858 541 H2 HOH 354 H2 HOH 115 9.818 -5.948 -7.760 542 H1 HOH 355 H1 HOH 129 -17.330 -4.841 -3.451 543 H2 HOH 355 H2 HOH 129 -16.363 -5.507 -4.408 544 H1 HOH 356 H1 HOH 16 -16.979 -6.590 -2.054 545 H2 HOH 356 H2 HOH 16 -17.115 -8.088 -1.942 546 H1 HOH 357 H1 HOH 104 16.021 -6.724 1.355 547 H2 HOH 357 H2 HOH 104 15.848 -6.330 -0.096 548 H1 HOH 358 H1 HOH 164 -0.002 6.502 -0.626 549 H2 HOH 358 H2 HOH 164 -1.466 6.867 -0.752 550 H1 HOH 359 H1 HOH 121 16.737 -2.014 6.368 551 H2 HOH 359 H2 HOH 121 15.572 -1.291 5.727 552 H1 HOH 360 H1 HOH 109 10.016 -3.314 -3.167 553 H2 HOH 360 H2 HOH 109 9.088 -4.499 -2.985 554 H1 HOH 361 H1 HOH 77 1.669 -9.065 -5.372 555 H2 HOH 361 H2 HOH 77 0.805 -8.904 -4.135 556 H1 HOH 362 H1 HOH 105 20.068 3.977 -1.779 557 H2 HOH 362 H2 HOH 105 18.929 4.655 -2.507 558 H1 HOH 363 H1 HOH 170 0.352 6.279 -2.624 559 H2 HOH 363 H2 HOH 170 1.649 6.777 -2.025 560 H1 HOH 364 H1 HOH 128 -18.254 0.048 -2.312 561 H2 HOH 364 H2 HOH 128 -16.766 -0.114 -2.093 562 H1 HOH 365 H1 HOH 130 -18.476 -3.011 -3.843 563 H2 HOH 365 H2 HOH 130 -17.703 -2.263 -2.777 564 H1 HOH 366 H1 HOH 11 -11.032 -8.649 6.506 565 H2 HOH 366 H2 HOH 11 -9.792 -7.984 5.947 566 H1 HOH 367 H1 HOH 64 6.343 -11.750 1.844 567 H2 HOH 367 H2 HOH 64 7.241 -10.616 1.395 568 H1 HOH 368 H1 HOH 44 -5.390 -7.868 7.468 569 H2 HOH 368 H2 HOH 44 -5.301 -9.379 7.525 570 H1 HOH 369 H1 HOH 72 2.277 -9.998 0.026 571 H2 HOH 369 H2 HOH 72 2.826 -9.709 -1.356 572 H1 HOH 370 H1 HOH 85 0.789 2.133 11.305 573 H2 HOH 370 H2 HOH 85 0.741 3.645 11.358 574 H1 HOH 371 H1 HOH 43 0.671 -8.770 2.554 575 H2 HOH 371 H2 HOH 43 0.970 -9.224 3.971 576 H1 HOH 372 H1 HOH 156 -1.472 -7.515 -15.725 577 H2 HOH 372 H2 HOH 156 -1.126 -6.390 -14.771 578 H1 HOH 373 H1 HOH 6 -12.563 -3.686 7.824 579 H2 HOH 373 H2 HOH 6 -12.217 -2.292 7.342 580 H1 HOH 374 H1 HOH 67 -0.533 -8.064 -1.533 581 H2 HOH 374 H2 HOH 67 0.716 -8.869 -1.828 582 H1 HOH 375 H1 HOH 36 -9.518 -11.155 -10.928 583 H2 HOH 375 H2 HOH 36 -8.188 -11.853 -10.773 584 H1 HOH 376 H1 HOH 49 -3.240 -9.578 1.118 585 H2 HOH 376 H2 HOH 49 -4.661 -9.397 0.632 586 H1 HOH 377 H1 HOH 45 -1.383 -9.420 2.944 587 H2 HOH 377 H2 HOH 45 -2.715 -10.032 3.327 588 H1 HOH 378 H1 HOH 23 -1.194 -10.339 -12.029 589 H2 HOH 378 H2 HOH 23 -0.106 -11.382 -12.185 590 H1 HOH 379 H1 HOH 95 6.086 1.742 9.194 591 H2 HOH 379 H2 HOH 95 4.572 1.762 9.244 592 H1 HOH 380 H1 HOH 101 12.469 -0.079 -5.392 593 H2 HOH 380 H2 HOH 101 13.631 -1.032 -5.574 594 H1 HOH 381 H1 HOH 131 -14.867 0.576 -2.527 595 H2 HOH 381 H2 HOH 131 -15.295 1.953 -2.064 596 H1 HOH 382 H1 HOH 80 6.471 -9.108 -3.244 597 H2 HOH 382 H2 HOH 80 5.541 -8.190 -4.011 598 H1 HOH 383 H1 HOH 108 11.879 -5.768 2.233 599 H2 HOH 383 H2 HOH 108 10.974 -4.907 1.373 600 H1 HOH 384 H1 HOH 176 -8.428 2.068 -6.830 601 H2 HOH 384 H2 HOH 176 -8.228 3.497 -6.371 602 H1 HOH 385 H1 HOH 87 4.717 -0.400 9.833 603 H2 HOH 385 H2 HOH 87 4.453 -1.235 11.068 604 H1 HOH 386 H1 HOH 186 3.417 8.561 -6.452 605 H2 HOH 386 H2 HOH 186 3.207 7.608 -7.611 606 H1 HOH 387 H1 HOH 20 -9.535 -10.116 5.368 607 H2 HOH 387 H2 HOH 20 -8.185 -10.118 4.685 608 H1 HOH 388 H1 HOH 114 9.467 -2.135 -7.750 609 H2 HOH 388 H2 HOH 114 9.489 -3.566 -7.255 610 H1 HOH 389 H1 HOH 158 -10.674 6.357 -3.184 611 H2 HOH 389 H2 HOH 158 -10.359 5.146 -2.330 612 H1 HOH 390 H1 HOH 86 2.529 2.781 9.786 613 H2 HOH 390 H2 HOH 86 3.228 3.828 8.943 614 H1 HOH 391 H1 HOH 18 -10.688 -14.422 2.214 615 H2 HOH 391 H2 HOH 18 -9.184 -14.244 2.176 616 H1 HOH 392 H1 HOH 90 3.268 6.334 8.623 617 H2 HOH 392 H2 HOH 90 3.568 5.313 7.548 618 H1 HOH 393 H1 HOH 159 -6.297 5.172 -6.611 619 H2 HOH 393 H2 HOH 159 -7.081 4.996 -5.328 620 H1 HOH 394 H1 HOH 70 -2.299 -11.891 4.631 621 H2 HOH 394 H2 HOH 70 -3.758 -11.675 4.964 622 H1 HOH 395 H1 HOH 165 -7.078 6.284 -3.153 623 H2 HOH 395 H2 HOH 165 -8.379 5.639 -3.589 624 H1 HOH 396 H1 HOH 169 5.367 10.851 -6.859 625 H2 HOH 396 H2 HOH 169 5.854 10.121 -5.626 626 H1 HOH 397 H1 HOH 51 -4.779 -12.884 6.978 627 H2 HOH 397 H2 HOH 51 -5.724 -12.683 5.813 628 H1 HOH 398 H1 HOH 19 -7.923 -12.219 5.345 629 H2 HOH 398 H2 HOH 19 -7.679 -13.510 4.589 630 H1 HOH 399 H1 HOH 58 -7.503 -15.502 3.371 631 H2 HOH 399 H2 HOH 58 -6.868 -14.379 2.581 Start of MODEL 3 1 HA PRO 62 HA PRO 62 -10.447 -8.280 -3.285 2 HB2 PRO 62 HB2 PRO 62 -11.325 -5.965 -2.101 3 HB3 PRO 62 HB3 PRO 62 -12.166 -6.718 -3.485 4 HG2 PRO 62 HG2 PRO 62 -12.807 -7.030 -0.515 5 HG3 PRO 62 HG3 PRO 62 -13.932 -6.614 -1.850 6 HD2 PRO 62 HD2 PRO 62 -13.752 -9.172 -1.031 7 HD3 PRO 62 HD3 PRO 62 -13.824 -8.787 -2.764 8 H PHE 63 H PHE 63 -8.661 -7.010 -2.452 9 HA PHE 63 HA PHE 63 -7.660 -7.926 0.182 10 HB2 PHE 63 HB2 PHE 63 -6.476 -6.442 -2.186 11 HB3 PHE 63 HB3 PHE 63 -5.643 -6.508 -0.644 12 HD1 PHE 63 HD1 PHE 63 -6.801 -8.581 -3.505 13 HD2 PHE 63 HD2 PHE 63 -4.670 -8.552 0.245 14 HE1 PHE 63 HE1 PHE 63 -5.939 -10.857 -3.975 15 HE2 PHE 63 HE2 PHE 63 -3.823 -10.834 -0.229 16 HZ PHE 63 HZ PHE 63 -4.462 -11.988 -2.332 17 H ALA 64 H ALA 64 -6.405 -6.033 1.396 18 HA ALA 64 HA ALA 64 -7.716 -3.426 1.224 19 HB1 ALA 64 HB1 ALA 64 -7.717 -5.040 3.817 20 HB2 ALA 64 HB2 ALA 64 -8.236 -3.351 3.647 21 HB3 ALA 64 HB3 ALA 64 -9.156 -4.642 2.841 22 H CYS 65 H CYS 65 -6.585 -1.767 2.391 23 HA CYS 65 HA CYS 65 -3.663 -2.110 2.529 24 HB2 CYS 65 HB2 CYS 65 -5.656 0.143 2.894 25 HB3 CYS 65 HB3 CYS 65 -4.013 0.269 3.551 26 H ASP 66 H ASP 66 -2.774 -2.940 4.172 27 HA ASP 66 HA ASP 66 -3.702 -3.378 6.775 28 HB2 ASP 66 HB2 ASP 66 -1.636 -4.155 5.291 29 HB3 ASP 66 HB3 ASP 66 -0.802 -2.813 6.036 30 H ILE 67 H ILE 67 -2.150 -0.530 5.415 31 HA ILE 67 HA ILE 67 -1.925 0.809 8.049 32 HB ILE 67 HB ILE 67 -0.778 1.479 5.319 33 HG12 ILE 67 2HG1 ILE 67 0.221 -0.584 6.044 34 HG13 ILE 67 3HG1 ILE 67 1.387 0.709 6.202 35 HG21 ILE 67 HG21 ILE 67 -0.872 3.516 6.614 36 HG22 ILE 67 HG22 ILE 67 -0.177 2.706 8.034 37 HG23 ILE 67 HG23 ILE 67 0.798 2.958 6.568 38 HD11 ILE 67 1HD1 ILE 67 1.528 -0.839 8.089 39 HD12 ILE 67 2HD1 ILE 67 1.039 0.765 8.658 40 HD13 ILE 67 3HD1 ILE 67 -0.161 -0.540 8.518 41 H CYS 68 H CYS 68 -3.422 1.435 4.853 42 HA CYS 68 HA CYS 68 -4.629 3.927 5.788 43 HB2 CYS 68 HB2 CYS 68 -4.812 2.349 3.204 44 HB3 CYS 68 HB3 CYS 68 -5.784 3.774 3.534 45 H GLY 69 H GLY 69 -5.537 0.642 6.169 46 HA2 GLY 69 HA2 GLY 69 -7.423 -0.434 6.847 47 HA3 GLY 69 HA3 GLY 69 -8.150 1.129 7.219 48 H ARG 70 H ARG 70 -7.411 1.344 4.036 49 HA ARG 70 HA ARG 70 -10.179 1.079 3.237 50 HB2 ARG 70 HB2 ARG 70 -8.607 2.943 2.584 51 HB3 ARG 70 HB3 ARG 70 -7.758 1.806 1.521 52 HG2 ARG 70 HG2 ARG 70 -9.889 1.405 0.304 53 HG3 ARG 70 HG3 ARG 70 -10.723 2.525 1.397 54 HD2 ARG 70 HD2 ARG 70 -8.972 4.260 0.579 55 HD3 ARG 70 HD3 ARG 70 -8.647 3.126 -0.742 56 HE ARG 70 HE ARG 70 -10.722 4.986 -0.614 57 HH11 ARG 70 1HH1 ARG 70 -12.413 5.063 -1.920 58 HH12 ARG 70 2HH1 ARG 70 -12.910 3.637 -2.800 59 HH21 ARG 70 1HH2 ARG 70 -10.780 1.463 -1.362 60 HH22 ARG 70 2HH2 ARG 70 -12.338 1.687 -2.111 61 H LYS 71 H LYS 71 -11.158 -0.420 1.921 62 HA LYS 71 HA LYS 71 -9.656 -2.793 1.055 63 HB2 LYS 71 HB2 LYS 71 -11.720 -3.822 0.561 64 HB3 LYS 71 HB3 LYS 71 -11.763 -3.068 2.143 65 HG2 LYS 71 HG2 LYS 71 -12.912 -1.046 0.754 66 HG3 LYS 71 HG3 LYS 71 -13.250 -2.363 -0.372 67 HD2 LYS 71 HD2 LYS 71 -15.154 -2.340 1.032 68 HD3 LYS 71 HD3 LYS 71 -14.176 -3.643 1.728 69 HE2 LYS 71 HE2 LYS 71 -13.216 -1.903 3.343 70 HE3 LYS 71 HE3 LYS 71 -14.355 -0.729 2.655 71 HZ1 LYS 71 HZ1 LYS 71 -14.959 -3.115 4.275 72 HZ2 LYS 71 HZ2 LYS 71 -15.362 -1.562 4.546 73 HZ3 LYS 71 HZ3 LYS 71 -16.127 -2.436 3.336 74 H PHE 72 H PHE 72 -9.644 -3.692 -1.022 75 HA PHE 72 HA PHE 72 -9.356 -1.800 -3.287 76 HB2 PHE 72 HB2 PHE 72 -7.191 -2.760 -1.453 77 HB3 PHE 72 HB3 PHE 72 -6.841 -2.970 -3.146 78 HD1 PHE 72 HD1 PHE 72 -6.594 -1.079 -4.696 79 HD2 PHE 72 HD2 PHE 72 -7.323 -0.471 -0.485 80 HE1 PHE 72 HE1 PHE 72 -5.875 1.287 -4.906 81 HE2 PHE 72 HE2 PHE 72 -6.590 1.880 -0.699 82 HZ PHE 72 HZ PHE 72 -5.888 2.773 -2.925 83 H ALA 73 H ALA 73 -8.692 -2.841 -5.270 84 HA ALA 73 HA ALA 73 -9.672 -5.435 -5.776 85 HB1 ALA 73 HB1 ALA 73 -9.596 -3.653 -7.418 86 HB2 ALA 73 HB2 ALA 73 -7.829 -3.648 -7.419 87 HB3 ALA 73 HB3 ALA 73 -8.719 -5.068 -8.027 88 H ARG 74 H ARG 74 -6.363 -4.907 -6.840 89 HA ARG 74 HA ARG 74 -5.047 -6.852 -5.220 90 HB2 ARG 74 HB2 ARG 74 -6.360 -8.551 -6.352 91 HB3 ARG 74 HB3 ARG 74 -6.020 -7.847 -7.935 92 HG2 ARG 74 HG2 ARG 74 -4.756 -9.910 -7.524 93 HG3 ARG 74 HG3 ARG 74 -3.710 -8.546 -7.842 94 HD2 ARG 74 HD2 ARG 74 -4.051 -8.756 -4.967 95 HD3 ARG 74 HD3 ARG 74 -3.740 -10.368 -5.610 96 HE ARG 74 HE ARG 74 -1.960 -8.139 -6.467 97 HH11 ARG 74 1HH1 ARG 74 0.292 -8.651 -6.288 98 HH12 ARG 74 2HH1 ARG 74 0.738 -9.613 -4.907 99 HH21 ARG 74 1HH2 ARG 74 -0.527 -10.762 -3.888 100 HH22 ARG 74 2HH2 ARG 74 -2.240 -10.844 -4.189 101 H SER 75 H SER 75 -5.142 -5.333 -8.425 102 HA SER 75 HA SER 75 -3.741 -3.749 -9.294 103 HB2 SER 75 HB2 SER 75 -3.356 -3.263 -6.327 104 HB3 SER 75 HB3 SER 75 -3.283 -2.049 -7.631 105 HG SER 75 HG SER 75 -5.420 -2.264 -7.964 106 H1 OUD 76 H OUD 76 -2.233 -5.974 -9.635 107 HA OUD 76 HA OUD 76 0.310 -5.728 -8.202 108 HB3 OUD 76 HB3 OUD 76 -0.953 -7.914 -8.642 109 HB2 OUD 76 HB2 OUD 76 -0.439 -7.799 -10.317 110 HM3 OUD 76 HM3 OUD 76 1.753 -5.590 -10.134 111 HM2 OUD 76 HM2 OUD 76 0.382 -5.713 -11.251 112 HN2 OUD 76 HN2 OUD 76 -0.086 -3.475 -10.996 113 H OUE 77 H OUE 77 -0.117 -1.542 -10.148 114 HA OUE 77 HA OUE 77 1.892 -0.897 -8.043 115 HB3 OUE 77 HB3 OUE 77 2.707 0.066 -10.095 116 HB2 OUE 77 HB2 OUE 77 1.152 0.769 -10.501 117 HG3 OUE 77 HG3 OUE 77 1.316 2.390 -8.678 118 HG2 OUE 77 HG2 OUE 77 2.729 1.584 -8.008 119 HM2 OUE 77 HM2 OUE 77 -0.757 0.486 -8.636 120 HM3 OUE 77 HM3 OUE 77 0.357 0.874 -7.315 121 HN2 OUE 77 HN2 OUE 77 -1.103 -1.709 -7.573 122 H1 OUK 78 H OUK 78 -1.489 -2.817 -5.904 123 HA OUK 78 HA OUK 78 0.409 -2.591 -3.624 124 HB2 OUK 78 HB2 OUK 78 -0.687 -4.804 -2.924 125 HB3 OUK 78 HB3 OUK 78 -1.904 -4.530 -4.165 126 HG2 OUK 78 HG2 OUK 78 -2.442 -2.294 -2.952 127 HG3 OUK 78 HG3 OUK 78 -1.344 -2.835 -1.678 128 HD2 OUK 78 HD2 OUK 78 -2.796 -5.032 -1.640 129 HD3 OUK 78 HD3 OUK 78 -3.978 -4.126 -2.580 130 HE2 OUK 78 HE2 OUK 78 -2.902 -3.408 0.209 131 HE3 OUK 78 HE3 OUK 78 -4.501 -4.074 -0.150 132 HZ3 OUK 78 HZ3 OUK 78 -4.527 -1.697 0.339 133 HZ1 OUK 78 HZ1 OUK 78 -5.077 -1.972 -1.226 134 HZ2 OUK 78 HZ2 OUK 78 -3.538 -1.376 -0.937 135 HM3 OUK 78 HM3 OUK 78 1.271 -4.796 -4.313 136 HM2 OUK 78 HM2 OUK 78 0.120 -4.871 -5.650 137 HN2 OUK 78 HN2 OUK 78 1.335 -3.252 -6.835 138 H OUR 79 H OUR 79 3.137 -2.188 -7.404 139 HA OUR 79 HA OUR 79 5.273 -1.886 -5.333 140 HB3 OUR 79 HB3 OUR 79 5.657 -1.754 -8.374 141 HB2 OUR 79 HB2 OUR 79 6.878 -1.555 -7.139 142 HG3 OUR 79 HG3 OUR 79 7.259 -3.734 -7.826 143 HG2 OUR 79 HG2 OUR 79 6.306 -3.990 -6.368 144 HD3 OUR 79 HD3 OUR 79 4.259 -4.315 -7.783 145 HD2 OUR 79 HD2 OUR 79 5.186 -3.925 -9.237 146 HE OUR 79 HE OUR 79 6.544 -5.890 -8.826 147 HH12 OUR 79 2HH1 OUR 79 4.014 -8.239 -9.717 148 HH11 OUR 79 1HH1 OUR 79 5.675 -7.829 -9.998 149 HH22 OUR 79 2HH2 OUR 79 2.889 -7.446 -7.840 150 HM2 OUR 79 HM2 OUR 79 4.548 0.184 -7.446 151 HM3 OUR 79 HM3 OUR 79 5.632 0.377 -6.059 152 HN2 OUR 79 HN2 OUR 79 2.711 -0.144 -5.762 153 HH21 OUR 79 1HH2 OUR 79 3.586 -6.195 -6.860 154 H OUH 80 H OUH 80 1.425 1.535 -5.327 155 HA OUH 80 HA OUH 80 2.692 2.751 -2.940 156 HB2 OUH 80 HB2 OUH 80 0.705 3.986 -4.608 157 HB3 OUH 80 HB3 OUH 80 1.469 4.579 -3.160 158 HD2 OUH 80 HD2 OUH 80 0.136 4.229 -0.690 159 HD1 OUH 80 HD1 OUH 80 -1.997 3.201 -4.217 160 HE1 OUH 80 HE1 OUH 80 -3.646 3.359 -2.239 161 HM2 OUH 80 HM2 OUH 80 0.152 1.081 -3.065 162 HM3 OUH 80 HM3 OUH 80 0.999 1.643 -1.609 163 HN2 OUH 80 HN2 OUH 80 2.121 -0.291 -3.577 164 H1 OUK 81 H OUK 81 3.568 -1.687 -2.922 165 HA OUK 81 HA OUK 81 4.895 -1.003 -0.362 166 HB2 OUK 81 HB2 OUK 81 5.990 -3.204 -0.315 167 HB3 OUK 81 HB3 OUK 81 5.075 -3.737 -1.722 168 HG2 OUK 81 HG2 OUK 81 2.958 -3.619 -0.463 169 HG3 OUK 81 HG3 OUK 81 3.765 -2.866 0.914 170 HD2 OUK 81 HD2 OUK 81 5.119 -4.899 1.295 171 HD3 OUK 81 HD3 OUK 81 4.438 -5.669 -0.141 172 HE2 OUK 81 HE2 OUK 81 2.180 -5.688 0.885 173 HE3 OUK 81 HE3 OUK 81 2.795 -4.807 2.307 174 HZ3 OUK 81 HZ3 OUK 81 3.646 -7.542 1.519 175 HZ1 OUK 81 HZ1 OUK 81 2.528 -7.171 2.715 176 HZ2 OUK 81 HZ2 OUK 81 4.126 -6.692 2.892 177 HM3 OUK 81 HM3 OUK 81 7.003 -1.410 -1.626 178 HM2 OUK 81 HM2 OUK 81 6.061 -1.807 -3.072 179 HN2 OUK 81 HN2 OUK 81 5.652 0.459 -3.430 180 H OUI 82 H OUI 82 6.008 2.612 -3.171 181 HA OUI 82 HA OUI 82 6.659 3.467 -0.382 182 HB OUI 82 HB OUI 82 7.353 5.612 -1.164 183 3HG1 OUI 82 3HG1 OUI 82 6.997 4.641 -4.050 184 2HG1 OUI 82 2HG1 OUI 82 5.981 5.825 -3.243 185 1HG2 OUI 82 1HG2 OUI 82 9.011 3.713 -0.958 186 2HG2 OUI 82 2HG2 OUI 82 9.542 4.987 -2.046 187 3HG2 OUI 82 3HG2 OUI 82 8.910 3.471 -2.707 188 2HD1 OUI 82 2HD1 OUI 82 7.982 7.319 -2.902 189 3HD1 OUI 82 3HD1 OUI 82 7.549 7.053 -4.596 190 1HD1 OUI 82 1HD1 OUI 82 8.938 6.212 -3.900 191 HM2 OUI 82 HM2 OUI 82 4.533 4.607 -2.248 192 HM3 OUI 82 HM3 OUI 82 4.928 5.187 -0.615 193 HN2 OUI 82 HN2 OUI 82 4.178 2.368 -1.032 194 H OUH 83 H OUH 83 4.100 1.494 0.829 195 HA OUH 83 HA OUH 83 3.268 3.202 3.110 196 HB2 OUH 83 HB2 OUH 83 2.951 1.198 4.471 197 HB3 OUH 83 HB3 OUH 83 3.396 0.156 3.133 198 HD2 OUH 83 HD2 OUH 83 0.857 3.266 2.767 199 HD1 OUH 83 HD1 OUH 83 0.937 -0.978 2.578 200 HE1 OUH 83 HE1 OUH 83 -1.362 -0.132 1.765 201 HM2 OUH 83 HM2 OUH 83 5.234 2.142 4.295 202 HM3 OUH 83 HM3 OUH 83 5.636 3.228 2.962 203 HN2 OUH 83 HN2 OUH 83 5.805 1.102 1.573 204 H ARG 84 H ARG 84 7.667 0.192 1.113 205 HA ARG 84 HA ARG 84 9.242 -0.997 3.322 206 HB2 ARG 84 HB2 ARG 84 8.893 -2.135 1.112 207 HB3 ARG 84 HB3 ARG 84 9.874 -0.874 0.336 208 HG2 ARG 84 HG2 ARG 84 11.826 -1.508 1.670 209 HG3 ARG 84 HG3 ARG 84 10.840 -2.613 2.640 210 HD2 ARG 84 HD2 ARG 84 10.397 -3.959 0.570 211 HD3 ARG 84 HD3 ARG 84 11.541 -2.906 -0.308 212 HE ARG 84 HE ARG 84 13.071 -3.664 1.761 213 HH11 ARG 84 1HH1 ARG 84 14.293 -5.504 2.074 214 HH12 ARG 84 2HH1 ARG 84 13.970 -6.895 1.082 215 HH21 ARG 84 1HH2 ARG 84 11.255 -5.660 -0.534 216 HH22 ARG 84 2HH2 ARG 84 12.407 -6.972 -0.288 217 H LYS 85 H LYS 85 9.343 1.826 1.344 218 HA LYS 85 HA LYS 85 10.811 3.148 3.425 219 HB2 LYS 85 HB2 LYS 85 11.885 3.343 0.567 220 HB3 LYS 85 HB3 LYS 85 12.207 4.530 1.839 221 HG2 LYS 85 HG2 LYS 85 13.134 2.644 3.263 222 HG3 LYS 85 HG3 LYS 85 13.015 1.587 1.856 223 HD2 LYS 85 HD2 LYS 85 15.260 2.363 2.066 224 HD3 LYS 85 HD3 LYS 85 14.581 3.121 0.618 225 HE2 LYS 85 HE2 LYS 85 14.264 5.210 1.864 226 HE3 LYS 85 HE3 LYS 85 14.696 4.438 3.396 227 HZ1 LYS 85 HZ1 LYS 85 16.909 4.033 2.517 228 HZ2 LYS 85 HZ2 LYS 85 16.537 4.724 1.071 229 HZ3 LYS 85 HZ3 LYS 85 16.574 5.656 2.391 230 H ASP 86 H ASP 86 10.714 5.660 2.637 231 HA ASP 86 HA ASP 86 7.822 6.090 2.093 232 HB2 ASP 86 HB2 ASP 86 9.388 7.246 3.995 233 HB3 ASP 86 HB3 ASP 86 9.657 8.374 2.705 234 H1 HOH 201 H1 HOH 170 5.896 9.336 0.220 235 H2 HOH 201 H2 HOH 170 6.725 8.160 -0.251 236 H1 HOH 202 H1 HOH 84 2.162 -5.544 8.635 237 H2 HOH 202 H2 HOH 84 1.181 -5.192 7.537 238 H1 HOH 203 H1 HOH 174 7.421 11.113 5.976 239 H2 HOH 203 H2 HOH 174 7.954 10.357 4.775 240 H1 HOH 204 H1 HOH 175 7.645 11.877 1.812 241 H2 HOH 204 H2 HOH 175 7.515 10.416 2.187 242 H1 HOH 205 H1 HOH 77 7.393 6.705 5.359 243 H2 HOH 205 H2 HOH 77 8.396 7.139 6.403 244 H1 HOH 206 H1 HOH 80 -2.985 -6.005 10.663 245 H2 HOH 206 H2 HOH 80 -2.141 -5.343 9.592 246 H1 HOH 207 H1 HOH 110 11.737 1.077 4.998 247 H2 HOH 207 H2 HOH 110 11.120 1.715 6.223 248 H1 HOH 208 H1 HOH 163 4.100 -0.151 -11.960 249 H2 HOH 208 H2 HOH 163 4.221 1.309 -11.572 250 H1 HOH 209 H1 HOH 82 -2.431 -6.520 7.867 251 H2 HOH 209 H2 HOH 82 -2.086 -7.727 8.714 252 H1 HOH 210 H1 HOH 186 8.813 9.172 -0.601 253 H2 HOH 210 H2 HOH 186 8.410 10.525 -0.056 254 H1 HOH 211 H1 HOH 87 -4.666 4.866 9.426 255 H2 HOH 211 H2 HOH 87 -4.379 4.023 8.203 256 H1 HOH 212 H1 HOH 155 5.597 1.529 -10.126 257 H2 HOH 212 H2 HOH 155 5.148 2.602 -9.164 258 H1 HOH 213 H1 HOH 182 5.283 6.834 4.161 259 H2 HOH 213 H2 HOH 182 4.108 7.299 3.334 260 H1 HOH 214 H1 HOH 34 2.260 -10.819 -7.997 261 H2 HOH 214 H2 HOH 34 2.516 -9.756 -9.039 262 H1 HOH 215 H1 HOH 89 -3.425 0.177 10.787 263 H2 HOH 215 H2 HOH 89 -3.865 -0.626 9.584 264 H1 HOH 216 H1 HOH 149 -4.798 -1.146 -9.903 265 H2 HOH 216 H2 HOH 149 -5.774 -2.291 -10.092 266 H1 HOH 217 H1 HOH 156 4.477 6.362 -9.842 267 H2 HOH 217 H2 HOH 156 3.565 5.154 -9.757 268 H1 HOH 218 H1 HOH 21 -11.025 -8.341 1.447 269 H2 HOH 218 H2 HOH 21 -12.202 -7.843 2.264 270 H1 HOH 219 H1 HOH 56 -0.742 -6.385 5.874 271 H2 HOH 219 H2 HOH 56 -1.677 -7.523 6.211 272 H1 HOH 220 H1 HOH 132 -8.466 4.289 4.921 273 H2 HOH 220 H2 HOH 132 -8.316 5.768 4.631 274 H1 HOH 221 H1 HOH 164 -0.670 4.971 1.274 275 H2 HOH 221 H2 HOH 164 -1.768 4.780 2.304 276 H1 HOH 222 H1 HOH 23 -12.999 -0.261 6.280 277 H2 HOH 222 H2 HOH 23 -11.488 -0.112 6.225 278 H1 HOH 223 H1 HOH 120 -11.903 3.412 -4.715 279 H2 HOH 223 H2 HOH 120 -13.203 3.353 -5.491 280 H1 HOH 224 H1 HOH 16 -14.343 -4.956 5.755 281 H2 HOH 224 H2 HOH 16 -13.638 -3.619 5.810 282 H1 HOH 225 H1 HOH 197 17.132 5.832 -1.077 283 H2 HOH 225 H2 HOH 197 18.129 4.845 -0.504 284 H1 HOH 226 H1 HOH 4 -13.121 -10.833 -4.563 285 H2 HOH 226 H2 HOH 4 -11.739 -11.225 -5.048 286 H1 HOH 227 H1 HOH 9 -12.990 -11.675 0.004 287 H2 HOH 227 H2 HOH 9 -11.557 -11.522 0.480 288 H1 HOH 228 H1 HOH 107 18.292 2.852 4.357 289 H2 HOH 228 H2 HOH 107 17.816 1.812 3.367 290 H1 HOH 229 H1 HOH 53 3.732 -9.552 0.536 291 H2 HOH 229 H2 HOH 53 4.426 -8.857 -0.618 292 H1 HOH 230 H1 HOH 31 3.054 -6.164 -3.308 293 H2 HOH 230 H2 HOH 31 3.984 -5.214 -4.030 294 H1 HOH 231 H1 HOH 27 -14.460 0.827 4.976 295 H2 HOH 231 H2 HOH 27 -15.588 0.221 5.790 296 H1 HOH 232 H1 HOH 7 -18.141 -3.826 3.084 297 H2 HOH 232 H2 HOH 7 -17.893 -3.122 1.765 298 H1 HOH 233 H1 HOH 133 -13.214 7.226 -1.426 299 H2 HOH 233 H2 HOH 133 -11.913 6.985 -0.682 300 H1 HOH 234 H1 HOH 85 5.617 -5.843 4.101 301 H2 HOH 234 H2 HOH 85 4.915 -5.045 5.184 302 H1 HOH 235 H1 HOH 91 14.051 -8.728 0.503 303 H2 HOH 235 H2 HOH 91 13.984 -9.034 -0.978 304 H1 HOH 236 H1 HOH 42 2.187 -10.778 -3.218 305 H2 HOH 236 H2 HOH 42 1.618 -11.952 -3.986 306 H1 HOH 237 H1 HOH 172 -4.451 3.860 1.461 307 H2 HOH 237 H2 HOH 172 -4.889 3.146 0.195 308 H1 HOH 238 H1 HOH 165 2.831 7.022 -1.257 309 H2 HOH 238 H2 HOH 165 2.670 5.971 -0.178 310 H1 HOH 239 H1 HOH 99 9.632 -5.206 -2.502 311 H2 HOH 239 H2 HOH 99 9.506 -6.650 -2.063 312 H1 HOH 240 H1 HOH 44 -1.867 -13.104 -4.435 313 H2 HOH 240 H2 HOH 44 -3.256 -13.437 -3.930 314 H1 HOH 241 H1 HOH 96 9.042 -5.834 -8.957 315 H2 HOH 241 H2 HOH 96 8.433 -6.988 -9.735 316 H1 HOH 242 H1 HOH 72 8.712 2.572 6.678 317 H2 HOH 242 H2 HOH 72 8.678 1.570 5.544 318 H1 HOH 243 H1 HOH 58 1.186 -6.608 4.056 319 H2 HOH 243 H2 HOH 58 -0.021 -7.517 4.079 320 H1 HOH 244 H1 HOH 134 -11.078 6.372 1.656 321 H2 HOH 244 H2 HOH 134 -9.921 6.742 0.751 322 H1 HOH 245 H1 HOH 108 15.952 -6.137 4.115 323 H2 HOH 245 H2 HOH 108 16.485 -6.054 2.697 324 H1 HOH 246 H1 HOH 123 -14.705 1.482 -1.309 325 H2 HOH 246 H2 HOH 123 -14.736 1.368 -2.819 326 H1 HOH 247 H1 HOH 97 7.435 -8.308 -11.306 327 H2 HOH 247 H2 HOH 97 7.510 -9.607 -10.532 328 H1 HOH 248 H1 HOH 162 4.213 -2.351 -11.861 329 H2 HOH 248 H2 HOH 162 2.917 -2.294 -11.081 330 H1 HOH 249 H1 HOH 111 15.353 -7.960 2.434 331 H2 HOH 249 H2 HOH 111 15.472 -9.466 2.346 332 H1 HOH 250 H1 HOH 137 -0.436 -1.114 -12.383 333 H2 HOH 250 H2 HOH 137 -0.523 0.332 -11.948 334 H1 HOH 251 H1 HOH 28 -7.487 3.915 8.068 335 H2 HOH 251 H2 HOH 28 -7.863 3.208 9.349 336 H1 HOH 252 H1 HOH 104 14.848 -2.732 -0.137 337 H2 HOH 252 H2 HOH 104 15.567 -2.444 1.167 338 H1 HOH 253 H1 HOH 74 3.063 -5.344 4.802 339 H2 HOH 253 H2 HOH 74 1.941 -5.386 5.817 340 H1 HOH 254 H1 HOH 45 -1.875 -12.687 -6.635 341 H2 HOH 254 H2 HOH 45 -0.770 -13.721 -6.640 342 H1 HOH 255 H1 HOH 153 -3.396 4.241 -5.950 343 H2 HOH 255 H2 HOH 153 -4.217 3.072 -6.456 344 H1 HOH 256 H1 HOH 32 4.598 -10.684 -8.685 345 H2 HOH 256 H2 HOH 32 5.694 -11.704 -8.906 346 H1 HOH 257 H1 HOH 93 7.608 -8.744 -8.421 347 H2 HOH 257 H2 HOH 93 6.577 -9.611 -7.735 348 H1 HOH 258 H1 HOH 116 13.657 -1.640 4.396 349 H2 HOH 258 H2 HOH 116 12.972 -2.966 4.137 350 H1 HOH 259 H1 HOH 75 6.915 -6.660 2.106 351 H2 HOH 259 H2 HOH 75 6.535 -8.007 2.685 352 H1 HOH 260 H1 HOH 188 -9.520 7.009 -3.003 353 H2 HOH 260 H2 HOH 188 -10.961 6.692 -2.666 354 H1 HOH 261 H1 HOH 5 -9.665 -11.204 2.066 355 H2 HOH 261 H2 HOH 5 -10.797 -10.200 2.073 356 H1 HOH 262 H1 HOH 86 -5.169 -2.710 10.573 357 H2 HOH 262 H2 HOH 86 -4.312 -3.383 9.524 358 H1 HOH 263 H1 HOH 159 -2.904 -7.484 -11.222 359 H2 HOH 263 H2 HOH 159 -4.318 -7.777 -10.758 360 H1 HOH 264 H1 HOH 157 -10.343 4.936 -4.153 361 H2 HOH 264 H2 HOH 157 -9.413 4.211 -5.100 362 H1 HOH 265 H1 HOH 17 -11.677 -2.452 5.667 363 H2 HOH 265 H2 HOH 17 -11.540 -3.860 5.121 364 H1 HOH 266 H1 HOH 147 0.922 -1.165 -13.876 365 H2 HOH 266 H2 HOH 147 1.801 -1.938 -12.911 366 H1 HOH 267 H1 HOH 112 16.476 -4.351 1.084 367 H2 HOH 267 H2 HOH 112 17.895 -4.854 0.925 368 H1 HOH 268 H1 HOH 142 -2.128 -5.687 -12.982 369 H2 HOH 268 H2 HOH 142 -1.312 -6.922 -12.665 370 H1 HOH 269 H1 HOH 25 -15.728 -3.060 6.749 371 H2 HOH 269 H2 HOH 25 -15.835 -1.963 7.785 372 H1 HOH 270 H1 HOH 131 -14.993 5.920 -0.223 373 H2 HOH 270 H2 HOH 131 -14.235 5.304 0.933 374 H1 HOH 271 H1 HOH 187 9.958 10.636 5.215 375 H2 HOH 271 H2 HOH 187 10.502 10.361 3.831 376 H1 HOH 272 H1 HOH 57 -0.309 -7.793 0.573 377 H2 HOH 272 H2 HOH 57 0.240 -7.120 1.816 378 H1 HOH 273 H1 HOH 140 -5.324 -4.101 -11.591 379 H2 HOH 273 H2 HOH 140 -6.673 -4.510 -11.039 380 H1 HOH 274 H1 HOH 127 -12.762 -3.004 -4.276 381 H2 HOH 274 H2 HOH 127 -13.296 -3.776 -3.089 382 H1 HOH 275 H1 HOH 15 -11.293 -12.466 -1.652 383 H2 HOH 275 H2 HOH 15 -11.476 -12.286 -3.147 384 H1 HOH 276 H1 HOH 26 -10.810 -2.090 9.057 385 H2 HOH 276 H2 HOH 26 -11.312 -1.686 7.687 386 H1 HOH 277 H1 HOH 118 11.934 6.170 4.566 387 H2 HOH 277 H2 HOH 118 13.006 7.234 4.527 388 H1 HOH 278 H1 HOH 117 13.192 0.151 5.844 389 H2 HOH 278 H2 HOH 117 14.447 -0.398 6.490 390 H1 HOH 279 H1 HOH 113 10.171 -5.172 4.391 391 H2 HOH 279 H2 HOH 113 10.510 -3.779 4.882 392 H1 HOH 280 H1 HOH 22 -9.668 3.277 7.474 393 H2 HOH 280 H2 HOH 22 -11.085 2.950 7.885 394 H1 HOH 281 H1 HOH 115 13.871 -2.445 -2.064 395 H2 HOH 281 H2 HOH 115 13.179 -1.152 -1.678 396 H1 HOH 282 H1 HOH 178 0.151 7.044 -3.634 397 H2 HOH 282 H2 HOH 178 -0.611 7.049 -2.324 398 H1 HOH 283 H1 HOH 169 3.106 6.706 -8.156 399 H2 HOH 283 H2 HOH 169 2.668 5.747 -7.072 400 H1 HOH 284 H1 HOH 37 -4.009 -12.491 -7.764 401 H2 HOH 284 H2 HOH 37 -3.032 -11.607 -8.510 402 H1 HOH 285 H1 HOH 70 -1.014 1.340 10.930 403 H2 HOH 285 H2 HOH 70 -1.140 -0.132 11.268 404 H1 HOH 286 H1 HOH 189 6.743 2.764 -7.874 405 H2 HOH 286 H2 HOH 189 6.438 3.952 -6.988 406 H1 HOH 287 H1 HOH 179 -0.368 8.135 -0.214 407 H2 HOH 287 H2 HOH 179 0.548 6.983 -0.572 408 H1 HOH 288 H1 HOH 185 6.427 9.434 -1.888 409 H2 HOH 288 H2 HOH 185 7.662 10.152 -2.373 410 H1 HOH 289 H1 HOH 66 2.942 5.512 4.262 411 H2 HOH 289 H2 HOH 66 1.738 5.456 5.179 412 H1 HOH 290 H1 HOH 145 -9.366 0.040 -7.233 413 H2 HOH 290 H2 HOH 145 -10.394 -0.274 -6.170 414 H1 HOH 291 H1 HOH 101 20.538 4.363 -0.012 415 H2 HOH 291 H2 HOH 101 19.996 5.293 1.053 416 H1 HOH 292 H1 HOH 152 0.790 -7.486 -13.927 417 H2 HOH 292 H2 HOH 152 0.899 -7.763 -12.443 418 H1 HOH 293 H1 HOH 105 12.875 -6.709 5.445 419 H2 HOH 293 H2 HOH 105 12.426 -5.330 5.014 420 H1 HOH 294 H1 HOH 71 -5.350 -6.378 11.484 421 H2 HOH 294 H2 HOH 71 -4.982 -5.272 10.517 422 H1 HOH 295 H1 HOH 83 9.801 -1.893 6.189 423 H2 HOH 295 H2 HOH 83 8.576 -2.359 5.436 424 H1 HOH 296 H1 HOH 24 -17.367 -0.733 6.582 425 H2 HOH 296 H2 HOH 24 -18.028 0.629 6.550 426 H1 HOH 297 H1 HOH 184 -7.490 7.985 5.144 427 H2 HOH 297 H2 HOH 184 -6.521 6.873 5.487 428 H1 HOH 298 H1 HOH 154 -1.903 6.232 -6.702 429 H2 HOH 298 H2 HOH 154 -2.860 6.272 -5.528 430 H1 HOH 299 H1 HOH 41 -0.204 -11.780 -11.512 431 H2 HOH 299 H2 HOH 41 0.185 -10.634 -10.604 432 H1 HOH 300 H1 HOH 196 7.032 -6.711 -12.846 433 H2 HOH 300 H2 HOH 196 6.950 -7.906 -13.773 434 H1 HOH 301 H1 HOH 46 6.720 -9.294 0.763 435 H2 HOH 301 H2 HOH 46 5.897 -10.264 1.587 436 H1 HOH 302 H1 HOH 1 -13.901 -9.416 -5.669 437 H2 HOH 302 H2 HOH 1 -15.290 -10.022 -5.632 438 H1 HOH 303 H1 HOH 176 -5.234 5.978 7.288 439 H2 HOH 303 H2 HOH 176 -4.319 6.678 6.305 440 H1 HOH 304 H1 HOH 121 -16.431 2.210 0.357 441 H2 HOH 304 H2 HOH 121 -15.519 3.373 0.009 442 H1 HOH 305 H1 HOH 171 -2.395 6.902 -3.666 443 H2 HOH 305 H2 HOH 171 -3.491 7.942 -3.761 444 H1 HOH 306 H1 HOH 54 -7.319 -11.430 2.440 445 H2 HOH 306 H2 HOH 54 -7.474 -9.941 2.658 446 H1 HOH 307 H1 HOH 167 -7.496 6.480 1.480 447 H2 HOH 307 H2 HOH 167 -7.774 7.723 0.666 448 H1 HOH 308 H1 HOH 195 6.409 -2.096 -11.564 449 H2 HOH 308 H2 HOH 195 6.438 -3.601 -11.751 450 H1 HOH 309 H1 HOH 40 2.536 -10.932 1.583 451 H2 HOH 309 H2 HOH 40 3.741 -11.634 2.176 452 H1 HOH 310 H1 HOH 55 -0.569 -5.307 0.662 453 H2 HOH 310 H2 HOH 55 -0.824 -4.310 1.770 454 H1 HOH 311 H1 HOH 193 8.480 -4.620 -12.282 455 H2 HOH 311 H2 HOH 193 7.859 -5.303 -11.082 456 H1 HOH 312 H1 HOH 10 -16.750 -6.616 2.037 457 H2 HOH 312 H2 HOH 10 -16.516 -5.125 2.154 458 H1 HOH 313 H1 HOH 73 10.518 -0.432 8.045 459 H2 HOH 313 H2 HOH 73 9.597 0.236 7.049 460 H1 HOH 314 H1 HOH 136 -2.512 -0.662 -11.035 461 H2 HOH 314 H2 HOH 136 -3.143 0.345 -10.100 462 H1 HOH 315 H1 HOH 76 6.795 3.988 7.418 463 H2 HOH 315 H2 HOH 76 7.850 4.732 6.629 464 H1 HOH 316 H1 HOH 130 -11.391 4.202 4.344 465 H2 HOH 316 H2 HOH 130 -11.310 3.272 5.538 466 H1 HOH 317 H1 HOH 166 -6.514 6.447 3.358 467 H2 HOH 317 H2 HOH 166 -5.276 5.706 2.900 468 H1 HOH 318 H1 HOH 177 -4.808 5.874 -3.981 469 H2 HOH 318 H2 HOH 177 -4.914 4.506 -4.623 470 H1 HOH 319 H1 HOH 29 -9.765 -3.522 7.404 471 H2 HOH 319 H2 HOH 29 -8.370 -4.106 7.381 472 H1 HOH 320 H1 HOH 148 -6.678 -6.845 -11.272 473 H2 HOH 320 H2 HOH 148 -6.212 -8.140 -11.903 474 H1 HOH 321 H1 HOH 129 -15.203 8.409 -1.129 475 H2 HOH 321 H2 HOH 129 -15.690 7.202 -1.902 476 H1 HOH 322 H1 HOH 51 7.491 -8.224 -5.921 477 H2 HOH 322 H2 HOH 51 8.010 -6.925 -5.337 478 H1 HOH 323 H1 HOH 114 20.632 7.117 2.414 479 H2 HOH 323 H2 HOH 114 20.862 5.896 3.277 480 H1 HOH 324 H1 HOH 6 -15.529 -10.736 -0.514 481 H2 HOH 324 H2 HOH 6 -16.910 -10.723 -1.135 482 H1 HOH 325 H1 HOH 141 -2.279 2.741 -9.733 483 H2 HOH 325 H2 HOH 141 -3.487 2.297 -8.936 484 H1 HOH 326 H1 HOH 79 -1.115 -4.664 11.456 485 H2 HOH 326 H2 HOH 79 -1.024 -4.306 12.925 486 H1 HOH 327 H1 HOH 100 11.211 -5.151 -4.626 487 H2 HOH 327 H2 HOH 100 12.258 -6.245 -4.626 488 H1 HOH 328 H1 HOH 2 -14.376 -6.459 2.114 489 H2 HOH 328 H2 HOH 2 -13.485 -6.523 3.338 490 H1 HOH 329 H1 HOH 3 -16.170 -9.001 -2.393 491 H2 HOH 329 H2 HOH 3 -15.626 -8.848 -3.799 492 H1 HOH 330 H1 HOH 151 1.983 6.507 -10.592 493 H2 HOH 330 H2 HOH 151 1.451 6.150 -11.961 494 H1 HOH 331 H1 HOH 60 8.157 -5.919 -0.024 495 H2 HOH 331 H2 HOH 60 7.296 -7.164 -0.005 496 H1 HOH 332 H1 HOH 48 -3.174 -9.697 -10.174 497 H2 HOH 332 H2 HOH 48 -2.257 -10.893 -10.336 498 H1 HOH 333 H1 HOH 30 -2.346 -13.128 -1.879 499 H2 HOH 333 H2 HOH 30 -1.383 -13.758 -0.896 500 H1 HOH 334 H1 HOH 52 -3.712 -8.196 6.946 501 H2 HOH 334 H2 HOH 52 -5.208 -8.423 6.969 502 H1 HOH 335 H1 HOH 103 14.833 -1.390 2.830 503 H2 HOH 335 H2 HOH 103 15.175 -0.465 1.675 504 H1 HOH 336 H1 HOH 95 13.233 -4.141 -3.717 505 H2 HOH 336 H2 HOH 95 14.622 -3.607 -4.005 506 H1 HOH 337 H1 HOH 92 9.425 -1.919 -4.436 507 H2 HOH 337 H2 HOH 92 8.662 -1.722 -5.727 508 H1 HOH 338 H1 HOH 90 9.743 -8.930 -3.074 509 H2 HOH 338 H2 HOH 90 8.586 -8.107 -3.606 510 H1 HOH 339 H1 HOH 135 -11.346 6.667 4.021 511 H2 HOH 339 H2 HOH 135 -10.266 5.656 3.698 512 H1 HOH 340 H1 HOH 50 -1.484 -9.806 0.933 513 H2 HOH 340 H2 HOH 50 -1.532 -9.636 -0.571 514 H1 HOH 341 H1 HOH 8 -10.508 -8.215 3.693 515 H2 HOH 341 H2 HOH 8 -9.599 -8.776 4.766 516 H1 HOH 342 H1 HOH 12 -20.290 -4.577 4.202 517 H2 HOH 342 H2 HOH 12 -19.168 -3.998 5.038 518 H1 HOH 343 H1 HOH 67 0.995 -1.480 11.645 519 H2 HOH 343 H2 HOH 67 -0.239 -2.354 11.749 520 H1 HOH 344 H1 HOH 109 12.519 1.113 -2.504 521 H2 HOH 344 H2 HOH 109 12.005 0.799 -1.116 522 H1 HOH 345 H1 HOH 128 -14.622 2.995 3.797 523 H2 HOH 345 H2 HOH 128 -13.256 2.614 4.334 524 H1 HOH 346 H1 HOH 173 4.637 7.965 -1.574 525 H2 HOH 346 H2 HOH 173 4.382 8.166 -3.052 526 H1 HOH 347 H1 HOH 19 -11.896 -10.068 -6.787 527 H2 HOH 347 H2 HOH 19 -12.101 -8.626 -7.201 528 H1 HOH 348 H1 HOH 11 -14.325 -11.259 1.534 529 H2 HOH 348 H2 HOH 11 -15.113 -12.477 1.100 530 H1 HOH 349 H1 HOH 160 -11.464 -6.528 -8.132 531 H2 HOH 349 H2 HOH 160 -10.732 -7.541 -8.983 532 H1 HOH 350 H1 HOH 13 -12.453 -6.048 5.194 533 H2 HOH 350 H2 HOH 13 -13.366 -7.163 5.660 534 H1 HOH 351 H1 HOH 94 10.037 -3.986 -7.995 535 H2 HOH 351 H2 HOH 94 11.172 -4.978 -7.853 536 H1 HOH 352 H1 HOH 14 -19.004 -4.021 7.511 537 H2 HOH 352 H2 HOH 14 -17.886 -3.235 6.856 538 H1 HOH 353 H1 HOH 198 10.697 -0.089 -4.452 539 H2 HOH 353 H2 HOH 198 11.108 -0.436 -3.039 540 H1 HOH 354 H1 HOH 36 0.393 -10.263 1.037 541 H2 HOH 354 H2 HOH 36 0.125 -11.113 2.258 542 H1 HOH 355 H1 HOH 78 1.234 2.422 10.790 543 H2 HOH 355 H2 HOH 78 0.169 3.452 11.104 544 H1 HOH 356 H1 HOH 20 -12.906 -9.813 2.771 545 H2 HOH 356 H2 HOH 20 -12.532 -11.270 2.933 546 H1 HOH 357 H1 HOH 139 -10.768 -1.721 -8.047 547 H2 HOH 357 H2 HOH 139 -11.348 -1.575 -9.437 548 H1 HOH 358 H1 HOH 63 -7.431 -11.272 -8.094 549 H2 HOH 358 H2 HOH 63 -8.008 -10.074 -7.370 550 H1 HOH 359 H1 HOH 161 -12.828 -4.748 -8.278 551 H2 HOH 359 H2 HOH 161 -11.621 -3.898 -8.615 552 H1 HOH 360 H1 HOH 59 -4.970 -14.934 -4.704 553 H2 HOH 360 H2 HOH 59 -5.420 -13.515 -4.983 554 H1 HOH 361 H1 HOH 102 17.000 -0.287 2.952 555 H2 HOH 361 H2 HOH 102 18.347 -0.577 3.579 556 H1 HOH 362 H1 HOH 81 3.748 -4.706 7.149 557 H2 HOH 362 H2 HOH 81 5.041 -4.039 7.569 558 H1 HOH 363 H1 HOH 191 7.672 0.012 -12.507 559 H2 HOH 363 H2 HOH 191 6.326 -0.086 -11.818 560 H1 HOH 364 H1 HOH 146 1.154 1.090 -15.056 561 H2 HOH 364 H2 HOH 146 -0.306 0.720 -14.916 562 H1 HOH 365 H1 HOH 106 15.394 0.750 -0.565 563 H2 HOH 365 H2 HOH 106 14.514 -0.476 -0.437 564 H1 HOH 366 H1 HOH 64 6.291 -8.059 -3.846 565 H2 HOH 366 H2 HOH 64 5.007 -7.421 -3.354 566 H1 HOH 367 H1 HOH 98 9.162 -4.091 -5.017 567 H2 HOH 367 H2 HOH 98 9.669 -5.058 -6.068 568 H1 HOH 368 H1 HOH 124 -20.194 -0.821 2.021 569 H2 HOH 368 H2 HOH 124 -19.902 -0.760 0.537 570 H1 HOH 369 H1 HOH 62 -10.878 -12.404 -6.857 571 H2 HOH 369 H2 HOH 62 -9.813 -11.329 -6.826 572 H1 HOH 370 H1 HOH 183 4.575 7.382 -6.820 573 H2 HOH 370 H2 HOH 183 5.343 8.232 -5.829 574 H1 HOH 371 H1 HOH 158 -8.249 -5.418 -12.481 575 H2 HOH 371 H2 HOH 158 -8.805 -5.794 -11.125 576 H1 HOH 372 H1 HOH 180 2.290 7.223 -4.982 577 H2 HOH 372 H2 HOH 180 2.592 7.293 -3.499 578 H1 HOH 373 H1 HOH 39 6.490 -8.511 -1.679 579 H2 HOH 373 H2 HOH 39 7.958 -8.702 -1.372 580 H1 HOH 374 H1 HOH 122 -18.345 2.145 1.917 581 H2 HOH 374 H2 HOH 122 -18.264 0.761 1.310 582 H1 HOH 375 H1 HOH 194 9.056 0.741 -6.447 583 H2 HOH 375 H2 HOH 194 8.604 -0.004 -7.684 584 H1 HOH 376 H1 HOH 125 -15.341 -1.971 -2.147 585 H2 HOH 376 H2 HOH 125 -15.164 -0.589 -1.552 586 H1 HOH 377 H1 HOH 138 -5.789 3.042 -8.164 587 H2 HOH 377 H2 HOH 138 -5.378 1.585 -8.175 588 H1 HOH 378 H1 HOH 190 7.784 -0.143 -10.090 589 H2 HOH 378 H2 HOH 190 7.244 0.905 -9.142 590 H1 HOH 379 H1 HOH 88 7.996 -6.532 3.924 591 H2 HOH 379 H2 HOH 88 8.570 -6.643 5.321 592 H1 HOH 380 H1 HOH 18 -10.181 -5.126 5.905 593 H2 HOH 380 H2 HOH 18 -10.411 -6.338 5.021 594 H1 HOH 381 H1 HOH 47 -3.662 -9.004 4.837 595 H2 HOH 381 H2 HOH 47 -2.378 -8.357 4.367 596 H1 HOH 382 H1 HOH 61 -8.113 -13.790 -2.819 597 H2 HOH 382 H2 HOH 61 -9.390 -13.082 -3.216 598 H1 HOH 383 H1 HOH 126 -15.558 -4.612 -2.930 599 H2 HOH 383 H2 HOH 126 -15.333 -3.899 -1.613 600 H1 HOH 384 H1 HOH 192 9.865 -1.823 -9.126 601 H2 HOH 384 H2 HOH 192 9.759 -1.655 -7.627 602 H1 HOH 385 H1 HOH 150 -7.005 4.771 -4.997 603 H2 HOH 385 H2 HOH 150 -7.726 5.580 -6.052 604 H1 HOH 386 H1 HOH 43 -5.203 -11.071 -9.605 605 H2 HOH 386 H2 HOH 43 -6.223 -12.129 -9.963 606 H1 HOH 387 H1 HOH 168 4.544 10.055 -4.633 607 H2 HOH 387 H2 HOH 168 5.713 9.454 -3.881 608 H1 HOH 388 H1 HOH 144 -8.674 2.467 -7.007 609 H2 HOH 388 H2 HOH 144 -8.892 2.120 -8.463 610 H1 HOH 389 H1 HOH 199 13.034 3.422 -2.746 611 H2 HOH 389 H2 HOH 199 12.567 2.956 -4.108 612 H1 HOH 390 H1 HOH 143 -10.931 -5.469 -9.907 613 H2 HOH 390 H2 HOH 143 -11.186 -6.140 -11.239 614 H1 HOH 391 H1 HOH 181 1.774 7.058 6.896 615 H2 HOH 391 H2 HOH 181 0.613 6.214 7.376 616 H1 HOH 392 H1 HOH 35 -7.465 -12.942 -4.886 617 H2 HOH 392 H2 HOH 35 -7.347 -12.222 -6.214 618 H1 HOH 393 H1 HOH 119 -17.585 -5.788 -3.841 619 H2 HOH 393 H2 HOH 119 -16.501 -6.688 -3.282 620 H1 HOH 394 H1 HOH 38 -5.569 -12.619 3.577 621 H2 HOH 394 H2 HOH 38 -5.058 -12.549 2.154 622 H1 HOH 395 H1 HOH 33 -2.519 -10.222 2.931 623 H2 HOH 395 H2 HOH 33 -2.697 -11.526 2.177 624 H1 HOH 396 H1 HOH 68 3.705 -0.170 9.194 625 H2 HOH 396 H2 HOH 68 5.126 0.114 9.634 626 H1 HOH 397 H1 HOH 49 -3.421 -14.077 1.678 627 H2 HOH 397 H2 HOH 49 -3.112 -13.085 0.578 628 H1 HOH 398 H1 HOH 65 3.311 -0.796 11.246 629 H2 HOH 398 H2 HOH 65 3.148 -1.303 12.663 630 H1 HOH 399 H1 HOH 69 3.686 2.849 11.409 631 H2 HOH 399 H2 HOH 69 3.400 1.607 10.592 Start of MODEL 4 1 HA PRO 62 HA PRO 62 -9.107 -7.440 -3.770 2 HB2 PRO 62 HB2 PRO 62 -11.018 -6.656 -2.081 3 HB3 PRO 62 HB3 PRO 62 -11.460 -7.244 -3.712 4 HG2 PRO 62 HG2 PRO 62 -11.626 -8.730 -1.079 5 HG3 PRO 62 HG3 PRO 62 -12.764 -8.766 -2.461 6 HD2 PRO 62 HD2 PRO 62 -10.611 -10.571 -1.899 7 HD3 PRO 62 HD3 PRO 62 -11.589 -10.529 -3.387 8 H PHE 63 H PHE 63 -8.349 -5.997 -2.021 9 HA PHE 63 HA PHE 63 -7.406 -7.391 0.454 10 HB2 PHE 63 HB2 PHE 63 -5.658 -5.793 -1.446 11 HB3 PHE 63 HB3 PHE 63 -5.162 -6.507 0.085 12 HD1 PHE 63 HD1 PHE 63 -5.412 -7.016 -3.455 13 HD2 PHE 63 HD2 PHE 63 -5.310 -9.082 0.331 14 HE1 PHE 63 HE1 PHE 63 -4.643 -9.083 -4.597 15 HE2 PHE 63 HE2 PHE 63 -4.557 -11.139 -0.819 16 HZ PHE 63 HZ PHE 63 -4.219 -11.148 -3.282 17 H ALA 64 H ALA 64 -8.206 -6.261 2.098 18 HA ALA 64 HA ALA 64 -8.218 -3.312 2.191 19 HB1 ALA 64 HB1 ALA 64 -8.864 -5.433 4.263 20 HB2 ALA 64 HB2 ALA 64 -9.025 -3.674 4.493 21 HB3 ALA 64 HB3 ALA 64 -10.031 -4.508 3.290 22 H CYS 65 H CYS 65 -7.001 -2.084 3.667 23 HA CYS 65 HA CYS 65 -4.216 -3.071 3.966 24 HB2 CYS 65 HB2 CYS 65 -5.431 -0.287 4.010 25 HB3 CYS 65 HB3 CYS 65 -3.690 -0.668 4.110 26 H ASP 66 H ASP 66 -3.595 -3.753 5.889 27 HA ASP 66 HA ASP 66 -4.580 -2.832 8.414 28 HB2 ASP 66 HB2 ASP 66 -3.049 -4.920 7.531 29 HB3 ASP 66 HB3 ASP 66 -1.770 -3.878 8.146 30 H ILE 67 H ILE 67 -3.147 -0.991 6.237 31 HA ILE 67 HA ILE 67 -1.473 0.654 8.104 32 HB ILE 67 HB ILE 67 -1.227 0.480 5.084 33 HG12 ILE 67 2HG1 ILE 67 -0.488 -1.660 5.966 34 HG13 ILE 67 3HG1 ILE 67 0.857 -0.729 5.348 35 HG21 ILE 67 HG21 ILE 67 -0.490 2.637 5.887 36 HG22 ILE 67 HG22 ILE 67 0.481 1.892 7.170 37 HG23 ILE 67 HG23 ILE 67 0.938 1.688 5.469 38 HD11 ILE 67 1HD1 ILE 67 1.558 -0.153 7.658 39 HD12 ILE 67 2HD1 ILE 67 0.176 -1.077 8.297 40 HD13 ILE 67 3HD1 ILE 67 1.460 -1.903 7.406 41 H CYS 68 H CYS 68 -3.762 0.805 5.360 42 HA CYS 68 HA CYS 68 -4.297 3.660 5.882 43 HB2 CYS 68 HB2 CYS 68 -4.980 1.871 3.512 44 HB3 CYS 68 HB3 CYS 68 -5.184 3.628 3.610 45 H GLY 69 H GLY 69 -5.881 0.633 6.432 46 HA2 GLY 69 HA2 GLY 69 -7.993 -0.030 6.952 47 HA3 GLY 69 HA3 GLY 69 -8.409 1.659 7.224 48 H ARG 70 H ARG 70 -7.644 2.102 4.249 49 HA ARG 70 HA ARG 70 -10.166 1.653 2.914 50 HB2 ARG 70 HB2 ARG 70 -7.378 2.432 1.975 51 HB3 ARG 70 HB3 ARG 70 -8.717 2.210 0.837 52 HG2 ARG 70 HG2 ARG 70 -10.038 3.916 2.065 53 HG3 ARG 70 HG3 ARG 70 -8.638 4.203 3.128 54 HD2 ARG 70 HD2 ARG 70 -7.276 4.938 1.276 55 HD3 ARG 70 HD3 ARG 70 -8.490 4.438 0.102 56 HE ARG 70 HE ARG 70 -8.856 6.668 2.091 57 HH11 ARG 70 1HH1 ARG 70 -10.487 6.814 -1.563 58 HH12 ARG 70 2HH1 ARG 70 -9.892 5.273 -0.962 59 HH21 ARG 70 1HH2 ARG 70 -10.435 8.574 -0.316 60 HH22 ARG 70 2HH2 ARG 70 -9.663 8.579 1.252 61 H LYS 71 H LYS 71 -10.319 0.510 0.796 62 HA LYS 71 HA LYS 71 -8.967 -2.134 0.808 63 HB2 LYS 71 HB2 LYS 71 -11.085 -3.308 0.582 64 HB3 LYS 71 HB3 LYS 71 -11.016 -2.374 2.073 65 HG2 LYS 71 HG2 LYS 71 -12.319 -0.525 0.675 66 HG3 LYS 71 HG3 LYS 71 -12.645 -1.851 -0.426 67 HD2 LYS 71 HD2 LYS 71 -14.509 -1.868 1.004 68 HD3 LYS 71 HD3 LYS 71 -13.484 -3.135 1.699 69 HE2 LYS 71 HE2 LYS 71 -12.532 -1.246 3.227 70 HE3 LYS 71 HE3 LYS 71 -13.863 -0.248 2.627 71 HZ1 LYS 71 HZ1 LYS 71 -14.593 -1.293 4.633 72 HZ2 LYS 71 HZ2 LYS 71 -15.359 -2.106 3.434 73 HZ3 LYS 71 HZ3 LYS 71 -14.049 -2.759 4.195 74 H PHE 72 H PHE 72 -8.330 -2.938 -0.990 75 HA PHE 72 HA PHE 72 -8.928 -1.432 -3.501 76 HB2 PHE 72 HB2 PHE 72 -6.271 -2.475 -2.451 77 HB3 PHE 72 HB3 PHE 72 -6.515 -1.658 -3.987 78 HD1 PHE 72 HD1 PHE 72 -6.831 0.764 -4.116 79 HD2 PHE 72 HD2 PHE 72 -6.446 -1.201 -0.294 80 HE1 PHE 72 HE1 PHE 72 -6.500 2.961 -3.017 81 HE2 PHE 72 HE2 PHE 72 -6.127 0.984 0.799 82 HZ PHE 72 HZ PHE 72 -6.140 3.090 -0.565 83 H ALA 73 H ALA 73 -8.419 -2.500 -5.478 84 HA ALA 73 HA ALA 73 -9.613 -5.011 -5.749 85 HB1 ALA 73 HB1 ALA 73 -9.713 -3.307 -7.453 86 HB2 ALA 73 HB2 ALA 73 -7.952 -3.312 -7.658 87 HB3 ALA 73 HB3 ALA 73 -8.909 -4.724 -8.146 88 H ARG 74 H ARG 74 -6.419 -4.645 -7.223 89 HA ARG 74 HA ARG 74 -5.254 -6.973 -5.866 90 HB2 ARG 74 HB2 ARG 74 -6.841 -8.098 -7.325 91 HB3 ARG 74 HB3 ARG 74 -6.242 -7.233 -8.739 92 HG2 ARG 74 HG2 ARG 74 -4.170 -8.423 -8.734 93 HG3 ARG 74 HG3 ARG 74 -4.433 -9.036 -7.085 94 HD2 ARG 74 HD2 ARG 74 -6.269 -10.442 -7.806 95 HD3 ARG 74 HD3 ARG 74 -6.291 -9.687 -9.405 96 HE ARG 74 HE ARG 74 -4.402 -10.901 -10.080 97 HH11 ARG 74 1HH1 ARG 74 -3.379 -13.908 -8.795 98 HH12 ARG 74 2HH1 ARG 74 -3.414 -12.825 -10.176 99 HH21 ARG 74 1HH2 ARG 74 -3.770 -13.032 -6.833 100 HH22 ARG 74 2HH2 ARG 74 -4.590 -11.490 -6.691 101 H SER 75 H SER 75 -5.048 -5.159 -8.924 102 HA SER 75 HA SER 75 -3.383 -3.853 -9.803 103 HB2 SER 75 HB2 SER 75 -3.343 -3.034 -6.887 104 HB3 SER 75 HB3 SER 75 -2.720 -2.070 -8.242 105 HG SER 75 HG SER 75 -4.685 -1.703 -8.946 106 H1 OUD 76 H OUD 76 -2.034 -5.768 -10.284 107 HA OUD 76 HA OUD 76 0.491 -5.928 -8.725 108 HB3 OUD 76 HB3 OUD 76 -0.716 -7.982 -9.484 109 HB2 OUD 76 HB2 OUD 76 -0.491 -7.502 -11.145 110 HM3 OUD 76 HM3 OUD 76 1.908 -5.273 -10.513 111 HM2 OUD 76 HM2 OUD 76 0.629 -5.447 -11.715 112 HN2 OUD 76 HN2 OUD 76 -0.401 -3.426 -10.952 113 H OUE 77 H OUE 77 -0.620 -1.690 -9.757 114 HA OUE 77 HA OUE 77 1.696 -0.858 -8.084 115 HB3 OUE 77 HB3 OUE 77 1.725 0.532 -10.114 116 HB2 OUE 77 HB2 OUE 77 0.025 0.902 -9.905 117 HG3 OUE 77 HG3 OUE 77 0.674 2.050 -7.642 118 HG2 OUE 77 HG2 OUE 77 2.347 1.832 -8.145 119 HM2 OUE 77 HM2 OUE 77 -1.226 -0.005 -7.816 120 HM3 OUE 77 HM3 OUE 77 0.092 0.339 -6.675 121 HN2 OUE 77 HN2 OUE 77 -0.579 -2.466 -7.236 122 H1 OUK 78 H OUK 78 -1.456 -3.656 -5.680 123 HA OUK 78 HA OUK 78 0.493 -2.985 -3.567 124 HB2 OUK 78 HB2 OUK 78 -0.238 -5.172 -2.431 125 HB3 OUK 78 HB3 OUK 78 -1.663 -5.161 -3.466 126 HG2 OUK 78 HG2 OUK 78 -2.142 -2.775 -2.508 127 HG3 OUK 78 HG3 OUK 78 -0.858 -3.095 -1.347 128 HD2 OUK 78 HD2 OUK 78 -2.169 -5.155 -0.574 129 HD3 OUK 78 HD3 OUK 78 -3.452 -4.697 -1.700 130 HE2 OUK 78 HE2 OUK 78 -3.595 -2.431 -0.521 131 HE3 OUK 78 HE3 OUK 78 -2.429 -3.048 0.675 132 HZ3 OUK 78 HZ3 OUK 78 -4.089 -4.696 1.339 133 HZ1 OUK 78 HZ1 OUK 78 -5.198 -4.044 0.259 134 HZ2 OUK 78 HZ2 OUK 78 -4.623 -3.124 1.525 135 HM3 OUK 78 HM3 OUK 78 1.482 -5.170 -4.186 136 HM2 OUK 78 HM2 OUK 78 0.158 -5.456 -5.327 137 HN2 OUK 78 HN2 OUK 78 1.009 -3.818 -6.786 138 H OUR 79 H OUR 79 2.699 -2.718 -7.736 139 HA OUR 79 HA OUR 79 5.075 -2.081 -6.044 140 HB3 OUR 79 HB3 OUR 79 4.669 -1.609 -9.043 141 HB2 OUR 79 HB2 OUR 79 6.123 -1.253 -8.123 142 HG3 OUR 79 HG3 OUR 79 6.461 -3.660 -7.646 143 HG2 OUR 79 HG2 OUR 79 4.974 -4.067 -8.518 144 HD3 OUR 79 HD3 OUR 79 5.873 -3.127 -10.612 145 HD2 OUR 79 HD2 OUR 79 7.329 -2.574 -9.768 146 HE OUR 79 HE OUR 79 6.521 -5.431 -9.868 147 HH12 OUR 79 2HH1 OUR 79 10.356 -4.254 -10.515 148 HH11 OUR 79 1HH1 OUR 79 9.193 -3.036 -10.200 149 HH22 OUR 79 2HH2 OUR 79 8.072 -6.971 -10.442 150 HM2 OUR 79 HM2 OUR 79 3.678 0.031 -7.727 151 HM3 OUR 79 HM3 OUR 79 4.931 0.247 -6.505 152 HN2 OUR 79 HN2 OUR 79 2.128 -0.596 -5.921 153 HH21 OUR 79 1HH2 OUR 79 9.690 -6.533 -10.811 154 H OUH 80 H OUH 80 0.886 0.810 -4.935 155 HA OUH 80 HA OUH 80 2.368 2.326 -2.866 156 HB2 OUH 80 HB2 OUH 80 0.124 3.205 -4.066 157 HB3 OUH 80 HB3 OUH 80 0.607 3.597 -2.443 158 HD2 OUH 80 HD2 OUH 80 -0.569 2.460 -0.415 159 HD1 OUH 80 HD1 OUH 80 -2.336 1.755 -4.147 160 HE1 OUH 80 HE1 OUH 80 -4.029 1.270 -2.239 161 HM2 OUH 80 HM2 OUH 80 0.366 0.138 -2.180 162 HM3 OUH 80 HM3 OUH 80 1.545 0.938 -1.121 163 HN2 OUH 80 HN2 OUH 80 2.376 -0.745 -3.430 164 H1 OUK 81 H OUK 81 4.103 -1.976 -3.236 165 HA OUK 81 HA OUK 81 5.592 -1.755 -0.660 166 HB2 OUK 81 HB2 OUK 81 6.730 -3.879 -1.176 167 HB3 OUK 81 HB3 OUK 81 5.777 -4.080 -2.643 168 HG2 OUK 81 HG2 OUK 81 3.685 -4.274 -1.285 169 HG3 OUK 81 HG3 OUK 81 4.610 -3.999 0.190 170 HD2 OUK 81 HD2 OUK 81 5.976 -6.055 -0.307 171 HD3 OUK 81 HD3 OUK 81 5.002 -6.344 -1.752 172 HE2 OUK 81 HE2 OUK 81 2.978 -6.709 -0.392 173 HE3 OUK 81 HE3 OUK 81 3.826 -6.181 1.077 174 HZ3 OUK 81 HZ3 OUK 81 4.441 -8.666 -0.449 175 HZ1 OUK 81 HZ1 OUK 81 3.644 -8.570 1.022 176 HZ2 OUK 81 HZ2 OUK 81 5.245 -8.121 0.922 177 HM3 OUK 81 HM3 OUK 81 7.626 -1.590 -1.931 178 HM2 OUK 81 HM2 OUK 81 6.812 -2.058 -3.431 179 HN2 OUK 81 HN2 OUK 81 5.947 0.077 -3.698 180 H OUI 82 H OUI 82 6.039 2.206 -3.506 181 HA OUI 82 HA OUI 82 6.820 3.362 -0.877 182 HB OUI 82 HB OUI 82 6.932 5.557 -2.055 183 3HG1 OUI 82 3HG1 OUI 82 6.828 3.911 -4.654 184 2HG1 OUI 82 2HG1 OUI 82 5.550 4.967 -4.084 185 1HG2 OUI 82 1HG2 OUI 82 8.938 4.146 -1.519 186 2HG2 OUI 82 2HG2 OUI 82 9.207 5.216 -2.887 187 3HG2 OUI 82 3HG2 OUI 82 8.904 3.489 -3.160 188 2HD1 OUI 82 2HD1 OUI 82 8.347 5.866 -4.928 189 3HD1 OUI 82 3HD1 OUI 82 7.118 6.925 -4.201 190 1HD1 OUI 82 1HD1 OUI 82 6.819 6.156 -5.764 191 HM2 OUI 82 HM2 OUI 82 4.360 4.074 -2.536 192 HM3 OUI 82 HM3 OUI 82 4.845 4.785 -0.986 193 HN2 OUI 82 HN2 OUI 82 4.383 1.871 -1.207 194 H OUH 83 H OUH 83 3.809 0.895 0.533 195 HA OUH 83 HA OUH 83 3.012 2.485 2.912 196 HB2 OUH 83 HB2 OUH 83 2.658 0.384 4.062 197 HB3 OUH 83 HB3 OUH 83 3.388 -0.534 2.763 198 HD2 OUH 83 HD2 OUH 83 0.514 2.185 2.430 199 HD1 OUH 83 HD1 OUH 83 1.419 -1.860 1.618 200 HE1 OUH 83 HE1 OUH 83 -0.858 -1.203 0.578 201 HM2 OUH 83 HM2 OUH 83 4.961 1.431 4.130 202 HM3 OUH 83 HM3 OUH 83 5.407 2.622 2.902 203 HN2 OUH 83 HN2 OUH 83 5.694 0.499 1.411 204 H ARG 84 H ARG 84 7.738 -0.074 0.991 205 HA ARG 84 HA ARG 84 9.777 -0.545 3.046 206 HB2 ARG 84 HB2 ARG 84 9.896 -1.400 0.698 207 HB3 ARG 84 HB3 ARG 84 9.983 0.264 0.100 208 HG2 ARG 84 HG2 ARG 84 12.153 0.569 1.304 209 HG3 ARG 84 HG3 ARG 84 12.040 -1.101 1.892 210 HD2 ARG 84 HD2 ARG 84 12.078 -1.886 -0.480 211 HD3 ARG 84 HD3 ARG 84 12.187 -0.207 -1.021 212 HE ARG 84 HE ARG 84 14.361 0.012 -0.027 213 HH11 ARG 84 1HH1 ARG 84 16.392 -0.912 0.351 214 HH12 ARG 84 2HH1 ARG 84 16.518 -2.648 0.492 215 HH21 ARG 84 1HH2 ARG 84 14.976 -3.900 0.017 216 HH22 ARG 84 2HH2 ARG 84 13.375 -3.313 -0.428 217 H LYS 85 H LYS 85 8.348 2.250 1.618 218 HA LYS 85 HA LYS 85 10.020 4.205 2.992 219 HB2 LYS 85 HB2 LYS 85 10.422 3.462 0.105 220 HB3 LYS 85 HB3 LYS 85 10.193 5.175 0.383 221 HG2 LYS 85 HG2 LYS 85 12.019 4.907 2.252 222 HG3 LYS 85 HG3 LYS 85 12.372 3.375 1.427 223 HD2 LYS 85 HD2 LYS 85 13.829 4.961 0.495 224 HD3 LYS 85 HD3 LYS 85 12.586 4.733 -0.735 225 HE2 LYS 85 HE2 LYS 85 11.461 6.829 -0.043 226 HE3 LYS 85 HE3 LYS 85 12.587 7.015 1.305 227 HZ1 LYS 85 HZ1 LYS 85 13.286 8.387 -0.508 228 HZ2 LYS 85 HZ2 LYS 85 14.396 7.215 -0.324 229 HZ3 LYS 85 HZ3 LYS 85 13.342 7.109 -1.570 230 H ASP 86 H ASP 86 9.443 6.373 2.297 231 HA ASP 86 HA ASP 86 6.809 6.882 1.136 232 HB2 ASP 86 HB2 ASP 86 6.687 6.560 3.681 233 HB3 ASP 86 HB3 ASP 86 7.719 7.960 3.837 234 H1 HOH 201 H1 HOH 156 -1.584 4.258 0.656 235 H2 HOH 201 H2 HOH 156 -2.446 3.855 1.842 236 H1 HOH 202 H1 HOH 85 0.052 -5.498 11.522 237 H2 HOH 202 H2 HOH 85 -0.929 -5.723 10.392 238 H1 HOH 203 H1 HOH 46 -3.141 -6.889 9.255 239 H2 HOH 203 H2 HOH 46 -3.531 -8.345 9.401 240 H1 HOH 204 H1 HOH 90 -5.479 -4.417 11.070 241 H2 HOH 204 H2 HOH 90 -5.732 -4.290 12.559 242 H1 HOH 205 H1 HOH 188 3.530 7.471 2.767 243 H2 HOH 205 H2 HOH 188 3.092 7.667 4.198 244 H1 HOH 206 H1 HOH 177 3.663 3.245 -9.910 245 H2 HOH 206 H2 HOH 177 4.190 2.399 -11.047 246 H1 HOH 207 H1 HOH 65 -5.405 -5.511 9.038 247 H2 HOH 207 H2 HOH 65 -5.289 -6.860 8.365 248 H1 HOH 208 H1 HOH 184 4.664 11.438 4.263 249 H2 HOH 208 H2 HOH 184 5.404 10.198 4.714 250 H1 HOH 209 H1 HOH 186 3.654 9.231 1.528 251 H2 HOH 209 H2 HOH 186 2.251 8.942 2.014 252 H1 HOH 210 H1 HOH 36 3.145 -10.524 -12.875 253 H2 HOH 210 H2 HOH 36 2.706 -9.592 -11.764 254 H1 HOH 211 H1 HOH 34 -0.753 -9.296 -13.105 255 H2 HOH 211 H2 HOH 34 0.043 -9.527 -11.838 256 H1 HOH 212 H1 HOH 51 1.819 -7.150 -6.490 257 H2 HOH 212 H2 HOH 51 1.981 -8.110 -7.646 258 H1 HOH 213 H1 HOH 79 -1.218 -0.749 10.270 259 H2 HOH 213 H2 HOH 79 -1.191 -0.004 11.588 260 H1 HOH 214 H1 HOH 171 -2.248 2.941 -11.098 261 H2 HOH 214 H2 HOH 171 -1.283 2.632 -9.980 262 H1 HOH 215 H1 HOH 151 -1.325 6.095 -8.740 263 H2 HOH 215 H2 HOH 151 -1.078 4.605 -8.719 264 H1 HOH 216 H1 HOH 183 5.579 7.326 5.480 265 H2 HOH 216 H2 HOH 183 5.914 7.488 6.945 266 H1 HOH 217 H1 HOH 35 1.537 -10.652 -8.204 267 H2 HOH 217 H2 HOH 35 0.969 -10.113 -9.496 268 H1 HOH 218 H1 HOH 92 3.582 -7.835 -10.232 269 H2 HOH 218 H2 HOH 92 4.309 -8.586 -11.328 270 H1 HOH 219 H1 HOH 123 -8.404 4.412 5.598 271 H2 HOH 219 H2 HOH 123 -9.754 4.389 6.284 272 H1 HOH 220 H1 HOH 185 -2.390 5.836 8.039 273 H2 HOH 220 H2 HOH 185 -2.936 4.427 7.942 274 H1 HOH 221 H1 HOH 117 12.622 2.349 3.561 275 H2 HOH 221 H2 HOH 117 13.094 3.484 4.446 276 H1 HOH 222 H1 HOH 47 -7.770 -10.653 -1.637 277 H2 HOH 222 H2 HOH 47 -7.017 -11.876 -2.113 278 H1 HOH 223 H1 HOH 45 -2.793 -6.832 2.520 279 H2 HOH 223 H2 HOH 45 -4.022 -6.037 2.910 280 H1 HOH 224 H1 HOH 198 13.827 7.151 -3.878 281 H2 HOH 224 H2 HOH 198 14.448 5.815 -3.536 282 H1 HOH 225 H1 HOH 25 -12.130 -9.078 -5.552 283 H2 HOH 225 H2 HOH 25 -11.700 -10.250 -6.404 284 H1 HOH 226 H1 HOH 84 -4.464 2.964 8.627 285 H2 HOH 226 H2 HOH 84 -4.897 4.402 8.797 286 H1 HOH 227 H1 HOH 122 -10.925 8.631 -3.154 287 H2 HOH 227 H2 HOH 122 -12.118 7.733 -3.405 288 H1 HOH 228 H1 HOH 13 -13.027 -4.473 5.817 289 H2 HOH 228 H2 HOH 13 -11.898 -3.491 5.608 290 H1 HOH 229 H1 HOH 105 18.494 -0.769 0.046 291 H2 HOH 229 H2 HOH 105 18.585 0.742 0.015 292 H1 HOH 230 H1 HOH 102 17.254 -5.235 0.290 293 H2 HOH 230 H2 HOH 102 17.201 -4.555 -1.063 294 H1 HOH 231 H1 HOH 39 4.931 -10.100 2.708 295 H2 HOH 231 H2 HOH 39 4.157 -8.944 3.317 296 H1 HOH 232 H1 HOH 139 -10.798 2.893 -1.809 297 H2 HOH 232 H2 HOH 139 -11.473 3.677 -0.701 298 H1 HOH 233 H1 HOH 22 -1.655 -13.416 -6.164 299 H2 HOH 233 H2 HOH 22 -2.004 -14.712 -5.459 300 H1 HOH 234 H1 HOH 190 -9.348 9.973 3.317 301 H2 HOH 234 H2 HOH 190 -10.576 10.296 2.490 302 H1 HOH 235 H1 HOH 140 -9.249 6.220 4.475 303 H2 HOH 235 H2 HOH 140 -8.379 7.454 4.578 304 H1 HOH 236 H1 HOH 33 -5.101 -12.132 -11.857 305 H2 HOH 236 H2 HOH 33 -3.641 -12.323 -12.224 306 H1 HOH 237 H1 HOH 77 7.040 -6.465 1.912 307 H2 HOH 237 H2 HOH 77 7.439 -7.891 2.231 308 H1 HOH 238 H1 HOH 6 -16.645 -3.687 2.997 309 H2 HOH 238 H2 HOH 6 -17.314 -2.559 3.759 310 H1 HOH 239 H1 HOH 181 -10.503 10.944 -0.602 311 H2 HOH 239 H2 HOH 181 -10.968 10.388 -1.934 312 H1 HOH 240 H1 HOH 24 -4.284 -16.290 -8.135 313 H2 HOH 240 H2 HOH 24 -3.171 -16.463 -9.145 314 H1 HOH 241 H1 HOH 75 5.872 -7.522 -8.121 315 H2 HOH 241 H2 HOH 75 5.729 -7.525 -9.628 316 H1 HOH 242 H1 HOH 99 12.196 -5.190 -11.026 317 H2 HOH 242 H2 HOH 99 11.744 -6.599 -10.688 318 H1 HOH 243 H1 HOH 161 1.737 5.555 -7.070 319 H2 HOH 243 H2 HOH 161 1.255 4.261 -7.693 320 H1 HOH 244 H1 HOH 135 -12.421 -3.397 -2.527 321 H2 HOH 244 H2 HOH 135 -11.538 -2.179 -2.707 322 H1 HOH 245 H1 HOH 15 -17.240 -1.052 5.466 323 H2 HOH 245 H2 HOH 15 -17.270 -2.314 6.304 324 H1 HOH 246 H1 HOH 64 2.270 -10.781 0.308 325 H2 HOH 246 H2 HOH 64 3.184 -10.580 -0.885 326 H1 HOH 247 H1 HOH 176 2.166 -2.650 -12.081 327 H2 HOH 247 H2 HOH 176 3.158 -2.756 -13.217 328 H1 HOH 248 H1 HOH 21 -2.048 -14.267 -12.610 329 H2 HOH 248 H2 HOH 21 -1.783 -13.212 -11.554 330 H1 HOH 249 H1 HOH 95 15.156 2.741 -0.930 331 H2 HOH 249 H2 HOH 95 13.855 2.218 -1.505 332 H1 HOH 250 H1 HOH 163 0.310 5.132 1.238 333 H2 HOH 250 H2 HOH 163 0.765 5.188 -0.203 334 H1 HOH 251 H1 HOH 112 11.181 -8.929 -11.670 335 H2 HOH 251 H2 HOH 112 10.972 -8.770 -10.180 336 H1 HOH 252 H1 HOH 91 9.162 0.675 6.630 337 H2 HOH 252 H2 HOH 91 10.198 0.825 5.539 338 H1 HOH 253 H1 HOH 67 -0.959 -10.134 -8.530 339 H2 HOH 253 H2 HOH 67 -2.030 -9.984 -7.469 340 H1 HOH 254 H1 HOH 175 -3.025 -0.554 -10.298 341 H2 HOH 254 H2 HOH 175 -3.057 0.906 -9.891 342 H1 HOH 255 H1 HOH 103 15.499 0.652 -1.940 343 H2 HOH 255 H2 HOH 103 16.809 -0.085 -1.767 344 H1 HOH 256 H1 HOH 159 -1.536 -1.231 -11.897 345 H2 HOH 256 H2 HOH 159 -2.270 -2.535 -11.673 346 H1 HOH 257 H1 HOH 58 -1.856 -9.857 -5.119 347 H2 HOH 257 H2 HOH 58 -1.769 -11.161 -5.881 348 H1 HOH 258 H1 HOH 42 -0.696 -6.671 8.312 349 H2 HOH 258 H2 HOH 42 -1.933 -7.272 7.682 350 H1 HOH 259 H1 HOH 109 19.900 -2.725 0.871 351 H2 HOH 259 H2 HOH 109 18.655 -2.350 1.649 352 H1 HOH 260 H1 HOH 143 -4.473 -6.380 -11.790 353 H2 HOH 260 H2 HOH 143 -3.387 -7.433 -11.719 354 H1 HOH 261 H1 HOH 63 4.073 -6.076 3.394 355 H2 HOH 261 H2 HOH 63 5.270 -6.958 3.099 356 H1 HOH 262 H1 HOH 142 -2.569 -4.986 -12.257 357 H2 HOH 262 H2 HOH 142 -1.483 -4.181 -12.948 358 H1 HOH 263 H1 HOH 191 9.215 -5.526 -13.850 359 H2 HOH 263 H2 HOH 191 8.726 -6.834 -14.438 360 H1 HOH 264 H1 HOH 98 14.370 -1.274 -2.932 361 H2 HOH 264 H2 HOH 98 14.317 -2.748 -3.270 362 H1 HOH 265 H1 HOH 8 -15.710 -5.788 3.715 363 H2 HOH 265 H2 HOH 8 -15.017 -5.300 2.461 364 H1 HOH 266 H1 HOH 193 8.455 -0.149 -9.456 365 H2 HOH 266 H2 HOH 193 9.465 -0.821 -8.547 366 H1 HOH 267 H1 HOH 73 9.196 -1.353 5.372 367 H2 HOH 267 H2 HOH 73 7.963 -2.148 4.988 368 H1 HOH 268 H1 HOH 114 11.193 -5.888 -8.656 369 H2 HOH 268 H2 HOH 114 11.352 -5.997 -7.151 370 H1 HOH 269 H1 HOH 113 7.673 -6.481 -7.819 371 H2 HOH 269 H2 HOH 113 9.033 -6.039 -7.317 372 H1 HOH 270 H1 HOH 127 -13.066 7.600 0.823 373 H2 HOH 270 H2 HOH 127 -12.679 6.919 2.117 374 H1 HOH 271 H1 HOH 70 7.210 -8.113 -2.146 375 H2 HOH 271 H2 HOH 70 5.962 -8.634 -2.829 376 H1 HOH 272 H1 HOH 48 5.258 -11.715 -1.305 377 H2 HOH 272 H2 HOH 48 5.430 -10.305 -1.825 378 H1 HOH 273 H1 HOH 196 11.837 -2.777 -11.796 379 H2 HOH 273 H2 HOH 196 13.224 -3.298 -12.110 380 H1 HOH 274 H1 HOH 148 0.762 -3.604 -13.579 381 H2 HOH 274 H2 HOH 148 0.166 -4.043 -14.899 382 H1 HOH 275 H1 HOH 20 -7.423 -12.620 -10.944 383 H2 HOH 275 H2 HOH 20 -6.482 -13.786 -11.175 384 H1 HOH 276 H1 HOH 19 -0.783 -11.350 -11.430 385 H2 HOH 276 H2 HOH 19 -0.194 -11.800 -10.109 386 H1 HOH 277 H1 HOH 166 1.580 6.110 2.883 387 H2 HOH 277 H2 HOH 166 0.390 5.569 3.645 388 H1 HOH 278 H1 HOH 66 5.812 -1.681 5.681 389 H2 HOH 278 H2 HOH 66 5.545 -3.141 5.385 390 H1 HOH 279 H1 HOH 108 17.118 -3.019 3.312 391 H2 HOH 279 H2 HOH 108 18.163 -2.189 4.027 392 H1 HOH 280 H1 HOH 124 -14.055 9.494 -0.316 393 H2 HOH 280 H2 HOH 124 -12.550 9.665 -0.258 394 H1 HOH 281 H1 HOH 189 9.390 11.984 3.605 395 H2 HOH 281 H2 HOH 189 9.923 11.667 2.222 396 H1 HOH 282 H1 HOH 154 -4.286 1.616 -7.062 397 H2 HOH 282 H2 HOH 154 -4.773 0.231 -7.420 398 H1 HOH 283 H1 HOH 147 -6.326 -9.817 -12.338 399 H2 HOH 283 H2 HOH 147 -4.834 -9.938 -12.128 400 H1 HOH 284 H1 HOH 164 -6.791 8.385 -1.506 401 H2 HOH 284 H2 HOH 164 -6.640 7.180 -2.412 402 H1 HOH 285 H1 HOH 74 5.359 -5.422 -5.792 403 H2 HOH 285 H2 HOH 74 6.641 -6.163 -6.118 404 H1 HOH 286 H1 HOH 126 -12.017 -3.738 -6.084 405 H2 HOH 286 H2 HOH 126 -11.772 -3.076 -4.743 406 H1 HOH 287 H1 HOH 40 4.905 -3.349 2.554 407 H2 HOH 287 H2 HOH 40 5.986 -2.606 3.311 408 H1 HOH 288 H1 HOH 11 -7.368 -5.465 9.359 409 H2 HOH 288 H2 HOH 11 -7.550 -4.737 10.673 410 H1 HOH 289 H1 HOH 172 3.942 5.614 -6.851 411 H2 HOH 289 H2 HOH 172 3.271 4.323 -6.441 412 H1 HOH 290 H1 HOH 179 2.211 7.743 -7.834 413 H2 HOH 290 H2 HOH 179 3.314 6.881 -8.413 414 H1 HOH 291 H1 HOH 173 -9.119 11.089 1.015 415 H2 HOH 291 H2 HOH 173 -8.870 12.523 0.600 416 H1 HOH 292 H1 HOH 29 -5.164 -13.964 -4.383 417 H2 HOH 292 H2 HOH 29 -3.662 -13.872 -4.571 418 H1 HOH 293 H1 HOH 129 -12.853 5.133 0.515 419 H2 HOH 293 H2 HOH 129 -13.826 4.338 -0.327 420 H1 HOH 294 H1 HOH 155 -1.750 5.716 -3.776 421 H2 HOH 294 H2 HOH 155 -3.156 5.390 -3.312 422 H1 HOH 295 H1 HOH 119 -12.685 2.848 1.134 423 H2 HOH 295 H2 HOH 119 -13.491 1.576 1.290 424 H1 HOH 296 H1 HOH 162 -5.182 0.227 -10.285 425 H2 HOH 296 H2 HOH 162 -6.046 0.914 -11.321 426 H1 HOH 297 H1 HOH 26 -7.529 -14.061 -4.343 427 H2 HOH 297 H2 HOH 26 -7.267 -14.015 -5.834 428 H1 HOH 298 H1 HOH 23 -5.207 -15.562 -10.193 429 H2 HOH 298 H2 HOH 23 -5.646 -15.921 -11.597 430 H1 HOH 299 H1 HOH 87 8.174 2.217 8.411 431 H2 HOH 299 H2 HOH 87 8.113 2.922 7.076 432 H1 HOH 300 H1 HOH 54 6.759 -11.692 2.493 433 H2 HOH 300 H2 HOH 54 6.866 -10.811 1.265 434 H1 HOH 301 H1 HOH 101 15.439 -4.488 4.348 435 H2 HOH 301 H2 HOH 101 14.877 -3.168 3.865 436 H1 HOH 302 H1 HOH 72 5.185 0.282 6.963 437 H2 HOH 302 H2 HOH 72 4.717 -0.961 7.685 438 H1 HOH 303 H1 HOH 100 16.370 -4.149 -3.216 439 H2 HOH 303 H2 HOH 100 15.655 -3.978 -4.541 440 H1 HOH 304 H1 HOH 131 -12.928 11.057 2.861 441 H2 HOH 304 H2 HOH 131 -12.725 10.058 1.742 442 H1 HOH 305 H1 HOH 136 -9.863 3.677 8.452 443 H2 HOH 305 H2 HOH 136 -10.749 2.587 7.892 444 H1 HOH 306 H1 HOH 165 -7.438 -0.421 -9.829 445 H2 HOH 306 H2 HOH 165 -8.650 -0.117 -8.977 446 H1 HOH 307 H1 HOH 174 -8.012 -2.447 -10.140 447 H2 HOH 307 H2 HOH 174 -7.194 -2.738 -11.380 448 H1 HOH 308 H1 HOH 31 -0.112 -12.036 -7.450 449 H2 HOH 308 H2 HOH 31 0.108 -11.585 -6.021 450 H1 HOH 309 H1 HOH 153 5.374 7.398 -9.270 451 H2 HOH 309 H2 HOH 153 4.825 6.399 -10.267 452 H1 HOH 310 H1 HOH 115 14.633 0.613 5.772 453 H2 HOH 310 H2 HOH 115 14.105 1.177 4.471 454 H1 HOH 311 H1 HOH 128 -12.339 2.967 4.602 455 H2 HOH 311 H2 HOH 128 -12.993 2.364 3.375 456 H1 HOH 312 H1 HOH 180 5.415 3.280 -8.773 457 H2 HOH 312 H2 HOH 180 5.449 3.907 -7.395 458 H1 HOH 313 H1 HOH 137 -12.514 1.733 -4.592 459 H2 HOH 313 H2 HOH 137 -12.296 0.504 -5.449 460 H1 HOH 314 H1 HOH 16 -8.049 -1.799 9.198 461 H2 HOH 314 H2 HOH 16 -8.398 -3.272 9.254 462 H1 HOH 315 H1 HOH 76 7.319 -9.966 -0.904 463 H2 HOH 315 H2 HOH 76 8.491 -10.886 -0.633 464 H1 HOH 316 H1 HOH 10 -7.204 -6.212 7.191 465 H2 HOH 316 H2 HOH 10 -8.591 -5.688 6.870 466 H1 HOH 317 H1 HOH 138 -13.610 -0.630 -4.073 467 H2 HOH 317 H2 HOH 138 -13.727 -2.075 -4.508 468 H1 HOH 318 H1 HOH 52 1.852 -11.966 2.593 469 H2 HOH 318 H2 HOH 52 2.883 -10.903 2.269 470 H1 HOH 319 H1 HOH 38 -8.373 -12.976 -7.788 471 H2 HOH 319 H2 HOH 38 -8.292 -14.484 -7.883 472 H1 HOH 320 H1 HOH 97 14.162 -5.250 -3.297 473 H2 HOH 320 H2 HOH 97 14.001 -6.683 -2.839 474 H1 HOH 321 H1 HOH 132 -16.787 1.134 5.587 475 H2 HOH 321 H2 HOH 132 -18.300 1.208 5.634 476 H1 HOH 322 H1 HOH 121 -14.851 0.756 -0.388 477 H2 HOH 322 H2 HOH 121 -15.873 1.076 0.680 478 H1 HOH 323 H1 HOH 55 0.787 -9.298 0.041 479 H2 HOH 323 H2 HOH 55 -0.704 -9.266 0.306 480 H1 HOH 324 H1 HOH 182 -11.531 -5.672 -7.523 481 H2 HOH 324 H2 HOH 182 -12.635 -6.100 -6.580 482 H1 HOH 325 H1 HOH 28 -9.410 -13.990 -2.414 483 H2 HOH 325 H2 HOH 28 -8.569 -12.821 -2.886 484 H1 HOH 326 H1 HOH 152 -4.858 6.070 -1.401 485 H2 HOH 326 H2 HOH 152 -5.112 5.794 -2.866 486 H1 HOH 327 H1 HOH 170 -8.328 11.260 -1.356 487 H2 HOH 327 H2 HOH 170 -7.295 11.589 -2.415 488 H1 HOH 328 H1 HOH 157 -11.518 -1.341 -6.343 489 H2 HOH 328 H2 HOH 157 -11.657 -0.560 -7.634 490 H1 HOH 329 H1 HOH 118 -14.485 -8.976 -4.520 491 H2 HOH 329 H2 HOH 118 -14.129 -9.116 -5.983 492 H1 HOH 330 H1 HOH 89 10.640 5.791 7.006 493 H2 HOH 330 H2 HOH 89 10.479 6.451 5.655 494 H1 HOH 331 H1 HOH 50 2.546 -4.617 2.979 495 H2 HOH 331 H2 HOH 50 3.532 -4.205 4.059 496 H1 HOH 332 H1 HOH 107 12.667 -2.126 4.669 497 H2 HOH 332 H2 HOH 107 13.894 -1.263 4.464 498 H1 HOH 333 H1 HOH 144 -7.725 -6.122 -11.137 499 H2 HOH 333 H2 HOH 144 -8.238 -4.778 -10.663 500 H1 HOH 334 H1 HOH 134 -14.611 2.238 5.151 501 H2 HOH 334 H2 HOH 134 -15.186 2.612 6.502 502 H1 HOH 335 H1 HOH 96 18.573 -3.488 -2.601 503 H2 HOH 335 H2 HOH 96 18.692 -4.931 -3.040 504 H1 HOH 336 H1 HOH 27 -9.427 -11.380 -10.472 505 H2 HOH 336 H2 HOH 27 -9.692 -12.833 -10.145 506 H1 HOH 337 H1 HOH 145 -6.458 -6.554 -13.027 507 H2 HOH 337 H2 HOH 145 -6.042 -7.655 -12.073 508 H1 HOH 338 H1 HOH 158 -9.388 10.450 -3.216 509 H2 HOH 338 H2 HOH 158 -10.279 10.682 -4.420 510 H1 HOH 339 H1 HOH 41 4.179 -8.613 -4.590 511 H2 HOH 339 H2 HOH 41 5.272 -7.571 -4.703 512 H1 HOH 340 H1 HOH 197 12.677 3.323 -3.230 513 H2 HOH 340 H2 HOH 197 11.575 2.496 -2.606 514 H1 HOH 341 H1 HOH 125 -14.658 -0.289 -2.566 515 H2 HOH 341 H2 HOH 125 -14.693 1.209 -2.768 516 H1 HOH 342 H1 HOH 187 7.052 11.869 4.477 517 H2 HOH 342 H2 HOH 187 7.659 13.199 4.865 518 H1 HOH 343 H1 HOH 130 -14.351 -2.922 -2.356 519 H2 HOH 343 H2 HOH 130 -14.829 -4.077 -1.500 520 H1 HOH 344 H1 HOH 44 0.661 -5.593 3.718 521 H2 HOH 344 H2 HOH 44 0.643 -6.269 2.364 522 H1 HOH 345 H1 HOH 82 7.158 5.373 6.366 523 H2 HOH 345 H2 HOH 82 8.610 4.938 6.348 524 H1 HOH 346 H1 HOH 86 1.135 -0.723 10.772 525 H2 HOH 346 H2 HOH 86 2.190 0.341 10.570 526 H1 HOH 347 H1 HOH 18 -12.425 -11.583 -0.191 527 H2 HOH 347 H2 HOH 18 -11.402 -12.487 0.469 528 H1 HOH 348 H1 HOH 149 -2.968 4.961 -7.236 529 H2 HOH 348 H2 HOH 149 -3.169 5.016 -5.734 530 H1 HOH 349 H1 HOH 56 0.286 -8.857 -2.094 531 H2 HOH 349 H2 HOH 56 1.506 -9.747 -2.032 532 H1 HOH 350 H1 HOH 68 1.140 -9.382 -5.761 533 H2 HOH 350 H2 HOH 68 0.807 -9.850 -4.358 534 H1 HOH 351 H1 HOH 146 -9.886 -6.281 -9.294 535 H2 HOH 351 H2 HOH 146 -11.306 -6.186 -9.802 536 H1 HOH 352 H1 HOH 78 8.247 -4.634 2.578 537 H2 HOH 352 H2 HOH 78 6.955 -4.116 1.978 538 H1 HOH 353 H1 HOH 7 -13.510 -5.496 0.374 539 H2 HOH 353 H2 HOH 7 -15.014 -5.643 0.385 540 H1 HOH 354 H1 HOH 5 -12.093 -13.437 -5.059 541 H2 HOH 354 H2 HOH 5 -13.116 -13.287 -3.952 542 H1 HOH 355 H1 HOH 104 10.298 -5.518 2.659 543 H2 HOH 355 H2 HOH 104 11.577 -6.263 2.333 544 H1 HOH 356 H1 HOH 116 16.276 4.357 3.446 545 H2 HOH 356 H2 HOH 116 14.908 3.857 3.034 546 H1 HOH 357 H1 HOH 133 -18.529 -2.456 0.132 547 H2 HOH 357 H2 HOH 133 -17.559 -2.850 1.227 548 H1 HOH 358 H1 HOH 167 -6.370 5.907 -4.738 549 H2 HOH 358 H2 HOH 167 -5.639 7.227 -4.634 550 H1 HOH 359 H1 HOH 88 4.989 5.185 6.637 551 H2 HOH 359 H2 HOH 88 5.801 3.931 6.872 552 H1 HOH 360 H1 HOH 37 -9.918 -14.022 -4.587 553 H2 HOH 360 H2 HOH 37 -9.859 -14.067 -6.100 554 H1 HOH 361 H1 HOH 178 -11.536 4.199 -4.714 555 H2 HOH 361 H2 HOH 178 -11.054 2.853 -5.214 556 H1 HOH 362 H1 HOH 43 9.734 -6.180 0.474 557 H2 HOH 362 H2 HOH 43 8.384 -5.513 0.385 558 H1 HOH 363 H1 HOH 60 0.684 -5.151 5.942 559 H2 HOH 363 H2 HOH 60 -0.331 -6.271 5.950 560 H1 HOH 364 H1 HOH 49 9.411 -5.057 4.731 561 H2 HOH 364 H2 HOH 49 9.360 -3.666 4.149 562 H1 HOH 365 H1 HOH 4 -13.112 -11.883 -6.143 563 H2 HOH 365 H2 HOH 4 -13.663 -11.842 -7.553 564 H1 HOH 366 H1 HOH 62 -5.282 -13.499 -2.471 565 H2 HOH 366 H2 HOH 62 -6.452 -14.271 -1.901 566 H1 HOH 367 H1 HOH 32 -8.655 -16.339 -9.466 567 H2 HOH 367 H2 HOH 32 -7.422 -15.531 -9.816 568 H1 HOH 368 H1 HOH 14 -13.257 -9.686 0.898 569 H2 HOH 368 H2 HOH 14 -14.129 -9.696 -0.337 570 H1 HOH 369 H1 HOH 93 10.885 -10.936 -13.087 571 H2 HOH 369 H2 HOH 93 12.360 -10.675 -12.862 572 H1 HOH 370 H1 HOH 168 -10.278 1.131 -6.539 573 H2 HOH 370 H2 HOH 168 -9.106 2.075 -6.346 574 H1 HOH 371 H1 HOH 17 -9.626 -3.672 7.819 575 H2 HOH 371 H2 HOH 17 -9.720 -5.015 8.503 576 H1 HOH 372 H1 HOH 9 -12.858 -7.992 2.771 577 H2 HOH 372 H2 HOH 9 -13.532 -7.402 1.549 578 H1 HOH 373 H1 HOH 110 12.163 -1.840 -4.252 579 H2 HOH 373 H2 HOH 110 10.996 -2.656 -4.778 580 H1 HOH 374 H1 HOH 30 -0.370 -16.202 -4.390 581 H2 HOH 374 H2 HOH 30 -1.755 -16.573 -3.905 582 H1 HOH 375 H1 HOH 194 7.145 1.903 -8.635 583 H2 HOH 375 H2 HOH 194 6.408 1.331 -9.824 584 H1 HOH 376 H1 HOH 80 1.110 2.277 10.452 585 H2 HOH 376 H2 HOH 80 2.354 2.644 9.669 586 H1 HOH 377 H1 HOH 169 -6.550 1.730 -6.492 587 H2 HOH 377 H2 HOH 169 -7.034 3.121 -6.137 588 H1 HOH 378 H1 HOH 111 9.421 -4.446 -5.554 589 H2 HOH 378 H2 HOH 111 9.796 -4.748 -4.119 590 H1 HOH 379 H1 HOH 61 -4.540 -11.785 1.652 591 H2 HOH 379 H2 HOH 61 -4.670 -11.031 2.959 592 H1 HOH 380 H1 HOH 2 -12.628 -13.369 -1.561 593 H2 HOH 380 H2 HOH 2 -13.266 -14.706 -1.877 594 H1 HOH 381 H1 HOH 83 2.500 4.811 8.542 595 H2 HOH 381 H2 HOH 83 3.513 3.865 7.935 596 H1 HOH 382 H1 HOH 120 -16.773 -4.206 -0.348 597 H2 HOH 382 H2 HOH 120 -16.853 -5.412 -1.260 598 H1 HOH 383 H1 HOH 94 12.743 -5.855 -4.838 599 H2 HOH 383 H2 HOH 94 11.594 -5.037 -5.394 600 H1 HOH 384 H1 HOH 1 -14.607 -11.491 -1.031 601 H2 HOH 384 H2 HOH 1 -14.486 -12.540 -2.117 602 H1 HOH 385 H1 HOH 59 -3.851 -13.310 0.380 603 H2 HOH 385 H2 HOH 59 -5.289 -13.332 -0.096 604 H1 HOH 386 H1 HOH 150 -5.293 4.753 -6.284 605 H2 HOH 386 H2 HOH 150 -6.537 5.106 -7.073 606 H1 HOH 387 H1 HOH 192 7.488 6.247 -8.732 607 H2 HOH 387 H2 HOH 192 7.266 4.771 -8.451 608 H1 HOH 388 H1 HOH 3 -15.460 -10.571 -3.005 609 H2 HOH 388 H2 HOH 3 -16.556 -10.131 -3.955 610 H1 HOH 389 H1 HOH 12 -16.151 -8.533 -0.740 611 H2 HOH 389 H2 HOH 12 -15.431 -8.897 -2.022 612 H1 HOH 390 H1 HOH 106 10.468 -6.198 -2.703 613 H2 HOH 390 H2 HOH 106 9.275 -5.854 -1.836 614 H1 HOH 391 H1 HOH 53 4.501 -5.354 5.932 615 H2 HOH 391 H2 HOH 53 3.913 -4.149 6.634 616 H1 HOH 392 H1 HOH 69 3.703 -3.043 8.579 617 H2 HOH 392 H2 HOH 69 2.819 -4.224 8.913 618 H1 HOH 393 H1 HOH 199 6.734 8.409 -7.771 619 H2 HOH 393 H2 HOH 199 7.285 8.669 -9.157 620 H1 HOH 394 H1 HOH 81 4.858 -1.434 10.011 621 H2 HOH 394 H2 HOH 81 3.388 -1.233 9.705 622 H1 HOH 395 H1 HOH 160 5.557 9.574 -6.061 623 H2 HOH 395 H2 HOH 160 6.997 9.445 -5.609 624 H1 HOH 396 H1 HOH 71 -2.009 -11.386 0.283 625 H2 HOH 396 H2 HOH 71 -2.724 -10.467 1.249 626 H1 HOH 397 H1 HOH 141 -11.268 -5.123 -12.377 627 H2 HOH 397 H2 HOH 141 -10.193 -5.688 -11.469 628 H1 HOH 398 H1 HOH 57 -1.504 -13.694 0.037 629 H2 HOH 398 H2 HOH 57 -2.091 -13.297 -1.301 630 H1 HOH 399 H1 HOH 195 10.435 6.617 -8.011 631 H2 HOH 399 H2 HOH 195 9.548 5.405 -8.185 Start of MODEL 5 1 HA PRO 62 HA PRO 62 -10.459 -7.581 -3.976 2 HB2 PRO 62 HB2 PRO 62 -11.737 -5.554 -2.668 3 HB3 PRO 62 HB3 PRO 62 -12.225 -6.032 -4.319 4 HG2 PRO 62 HG2 PRO 62 -13.429 -7.043 -1.686 5 HG3 PRO 62 HG3 PRO 62 -14.294 -6.249 -3.038 6 HD2 PRO 62 HD2 PRO 62 -14.210 -8.908 -2.964 7 HD3 PRO 62 HD3 PRO 62 -13.863 -8.089 -4.504 8 H PHE 63 H PHE 63 -9.466 -6.131 -2.137 9 HA PHE 63 HA PHE 63 -9.365 -7.633 0.452 10 HB2 PHE 63 HB2 PHE 63 -6.966 -6.644 -1.126 11 HB3 PHE 63 HB3 PHE 63 -6.951 -7.637 0.329 12 HD1 PHE 63 HD1 PHE 63 -6.468 -7.787 -3.121 13 HD2 PHE 63 HD2 PHE 63 -8.517 -9.895 0.039 14 HE1 PHE 63 HE1 PHE 63 -6.488 -9.840 -4.502 15 HE2 PHE 63 HE2 PHE 63 -8.564 -11.936 -1.364 16 HZ PHE 63 HZ PHE 63 -7.532 -11.922 -3.634 17 H ALA 64 H ALA 64 -7.409 -6.139 1.677 18 HA ALA 64 HA ALA 64 -8.001 -3.271 1.395 19 HB1 ALA 64 HB1 ALA 64 -8.305 -4.771 4.043 20 HB2 ALA 64 HB2 ALA 64 -8.407 -3.008 3.819 21 HB3 ALA 64 HB3 ALA 64 -9.633 -4.067 3.092 22 H CYS 65 H CYS 65 -6.460 -1.947 2.643 23 HA CYS 65 HA CYS 65 -3.770 -3.204 3.030 24 HB2 CYS 65 HB2 CYS 65 -4.674 -0.347 3.457 25 HB3 CYS 65 HB3 CYS 65 -3.008 -0.939 3.387 26 H ASP 66 H ASP 66 -3.031 -3.634 5.091 27 HA ASP 66 HA ASP 66 -4.517 -3.061 7.518 28 HB2 ASP 66 HB2 ASP 66 -1.525 -3.485 7.080 29 HB3 ASP 66 HB3 ASP 66 -2.352 -3.444 8.663 30 H ILE 67 H ILE 67 -1.777 -1.446 5.962 31 HA ILE 67 HA ILE 67 -1.614 0.681 7.783 32 HB ILE 67 HB ILE 67 -0.444 0.348 5.000 33 HG12 ILE 67 2HG1 ILE 67 0.209 -1.488 6.470 34 HG13 ILE 67 3HG1 ILE 67 1.572 -0.454 6.107 35 HG21 ILE 67 HG21 ILE 67 -0.176 2.686 5.526 36 HG22 ILE 67 HG22 ILE 67 0.378 2.318 7.169 37 HG23 ILE 67 HG23 ILE 67 1.385 1.895 5.776 38 HD11 ILE 67 1HD1 ILE 67 0.039 -0.458 8.745 39 HD12 ILE 67 2HD1 ILE 67 1.620 -1.183 8.435 40 HD13 ILE 67 3HD1 ILE 67 1.440 0.572 8.355 41 H CYS 68 H CYS 68 -3.731 0.551 5.015 42 HA CYS 68 HA CYS 68 -4.419 3.428 5.499 43 HB2 CYS 68 HB2 CYS 68 -5.120 1.605 3.158 44 HB3 CYS 68 HB3 CYS 68 -5.938 3.116 3.505 45 H GLY 69 H GLY 69 -5.366 0.246 6.368 46 HA2 GLY 69 HA2 GLY 69 -7.228 -0.713 7.259 47 HA3 GLY 69 HA3 GLY 69 -7.899 0.909 7.490 48 H ARG 70 H ARG 70 -7.375 0.922 4.335 49 HA ARG 70 HA ARG 70 -10.279 0.542 3.856 50 HB2 ARG 70 HB2 ARG 70 -8.188 2.498 2.859 51 HB3 ARG 70 HB3 ARG 70 -9.780 2.364 2.099 52 HG2 ARG 70 HG2 ARG 70 -10.928 2.879 4.145 53 HG3 ARG 70 HG3 ARG 70 -9.457 2.775 5.101 54 HD2 ARG 70 HD2 ARG 70 -8.558 4.774 3.963 55 HD3 ARG 70 HD3 ARG 70 -10.047 4.880 2.991 56 HE ARG 70 HE ARG 70 -10.064 4.948 6.005 57 HH11 ARG 70 1HH1 ARG 70 -12.100 7.674 4.006 58 HH12 ARG 70 2HH1 ARG 70 -10.850 6.802 3.147 59 HH21 ARG 70 1HH2 ARG 70 -11.550 6.104 6.968 60 HH22 ARG 70 2HH2 ARG 70 -12.499 7.303 6.074 61 H LYS 71 H LYS 71 -11.166 0.050 1.855 62 HA LYS 71 HA LYS 71 -9.973 -2.450 0.977 63 HB2 LYS 71 HB2 LYS 71 -12.621 -1.166 0.217 64 HB3 LYS 71 HB3 LYS 71 -12.089 -2.786 -0.266 65 HG2 LYS 71 HG2 LYS 71 -11.838 -3.368 2.197 66 HG3 LYS 71 HG3 LYS 71 -12.553 -1.802 2.582 67 HD2 LYS 71 HD2 LYS 71 -14.306 -3.384 2.743 68 HD3 LYS 71 HD3 LYS 71 -14.600 -2.493 1.241 69 HE2 LYS 71 HE2 LYS 71 -13.508 -4.380 -0.028 70 HE3 LYS 71 HE3 LYS 71 -13.263 -5.236 1.504 71 HZ1 LYS 71 HZ1 LYS 71 -15.253 -6.077 0.454 72 HZ2 LYS 71 HZ2 LYS 71 -15.751 -5.216 1.758 73 HZ3 LYS 71 HZ3 LYS 71 -15.896 -4.602 0.260 74 H PHE 72 H PHE 72 -9.379 -3.172 -1.027 75 HA PHE 72 HA PHE 72 -9.353 -1.372 -3.346 76 HB2 PHE 72 HB2 PHE 72 -7.253 -1.051 -1.707 77 HB3 PHE 72 HB3 PHE 72 -6.673 -2.481 -2.540 78 HD1 PHE 72 HD1 PHE 72 -5.177 -1.949 -4.323 79 HD2 PHE 72 HD2 PHE 72 -8.382 0.785 -3.375 80 HE1 PHE 72 HE1 PHE 72 -4.333 -0.346 -6.016 81 HE2 PHE 72 HE2 PHE 72 -7.567 2.341 -5.136 82 HZ PHE 72 HZ PHE 72 -5.544 1.773 -6.454 83 H ALA 73 H ALA 73 -8.448 -2.450 -5.323 84 HA ALA 73 HA ALA 73 -9.757 -4.966 -5.601 85 HB1 ALA 73 HB1 ALA 73 -9.817 -3.273 -7.329 86 HB2 ALA 73 HB2 ALA 73 -8.063 -3.378 -7.562 87 HB3 ALA 73 HB3 ALA 73 -9.104 -4.759 -7.975 88 H ARG 74 H ARG 74 -6.473 -4.536 -6.895 89 HA ARG 74 HA ARG 74 -5.293 -6.795 -5.436 90 HB2 ARG 74 HB2 ARG 74 -6.604 -8.047 -7.096 91 HB3 ARG 74 HB3 ARG 74 -5.948 -7.052 -8.401 92 HG2 ARG 74 HG2 ARG 74 -3.639 -7.940 -7.839 93 HG3 ARG 74 HG3 ARG 74 -4.392 -9.028 -6.663 94 HD2 ARG 74 HD2 ARG 74 -5.572 -10.198 -8.408 95 HD3 ARG 74 HD3 ARG 74 -5.245 -8.907 -9.572 96 HE ARG 74 HE ARG 74 -3.099 -10.677 -8.427 97 HH11 ARG 74 1HH1 ARG 74 -4.585 -9.296 -11.323 98 HH12 ARG 74 2HH1 ARG 74 -3.318 -9.950 -12.327 99 HH21 ARG 74 1HH2 ARG 74 -1.904 -11.290 -11.590 100 HH22 ARG 74 2HH2 ARG 74 -1.471 -11.338 -9.888 101 H SER 75 H SER 75 -4.960 -4.864 -8.434 102 HA SER 75 HA SER 75 -3.184 -3.784 -9.368 103 HB2 SER 75 HB2 SER 75 -2.996 -2.926 -6.473 104 HB3 SER 75 HB3 SER 75 -2.316 -2.040 -7.861 105 HG SER 75 HG SER 75 -4.231 -1.496 -8.525 106 H1 OUD 76 H OUD 76 -2.044 -6.061 -9.652 107 HA OUD 76 HA OUD 76 0.432 -6.215 -8.021 108 HB3 OUD 76 HB3 OUD 76 -1.049 -8.240 -8.523 109 HB2 OUD 76 HB2 OUD 76 -0.476 -8.164 -10.180 110 HM3 OUD 76 HM3 OUD 76 1.962 -5.993 -9.779 111 HM2 OUD 76 HM2 OUD 76 0.752 -6.326 -11.014 112 HN2 OUD 76 HN2 OUD 76 -0.117 -4.104 -10.794 113 H OUE 77 H OUE 77 -0.202 -2.051 -10.107 114 HA OUE 77 HA OUE 77 2.268 -0.933 -8.865 115 HB3 OUE 77 HB3 OUE 77 1.593 0.098 -10.983 116 HB2 OUE 77 HB2 OUE 77 -0.045 0.320 -10.409 117 HG3 OUE 77 HG3 OUE 77 1.153 2.450 -10.401 118 HG2 OUE 77 HG2 OUE 77 0.677 2.022 -8.777 119 HM2 OUE 77 HM2 OUE 77 -0.539 -0.182 -7.926 120 HM3 OUE 77 HM3 OUE 77 1.011 0.337 -7.234 121 HN2 OUE 77 HN2 OUE 77 0.455 -2.536 -7.240 122 H1 OUK 78 H OUK 78 -0.964 -3.418 -5.774 123 HA OUK 78 HA OUK 78 0.627 -2.849 -3.345 124 HB2 OUK 78 HB2 OUK 78 -0.442 -5.027 -2.482 125 HB3 OUK 78 HB3 OUK 78 -1.526 -4.969 -3.860 126 HG2 OUK 78 HG2 OUK 78 -2.190 -2.564 -2.925 127 HG3 OUK 78 HG3 OUK 78 -1.424 -3.132 -1.442 128 HD2 OUK 78 HD2 OUK 78 -2.986 -5.231 -1.640 129 HD3 OUK 78 HD3 OUK 78 -3.784 -4.385 -2.956 130 HE2 OUK 78 HE2 OUK 78 -5.123 -3.844 -1.052 131 HE3 OUK 78 HE3 OUK 78 -4.099 -2.408 -1.256 132 HZ3 OUK 78 HZ3 OUK 78 -2.617 -3.585 0.496 133 HZ1 OUK 78 HZ1 OUK 78 -3.978 -4.489 0.836 134 HZ2 OUK 78 HZ2 OUK 78 -4.030 -2.825 0.978 135 HM3 OUK 78 HM3 OUK 78 1.708 -4.992 -3.767 136 HM2 OUK 78 HM2 OUK 78 0.548 -5.391 -5.037 137 HN2 OUK 78 HN2 OUK 78 1.604 -3.972 -6.547 138 H OUR 79 H OUR 79 3.358 -3.019 -7.397 139 HA OUR 79 HA OUR 79 5.470 -2.042 -5.518 140 HB3 OUR 79 HB3 OUR 79 5.595 -2.329 -8.563 141 HB2 OUR 79 HB2 OUR 79 6.865 -1.663 -7.539 142 HG3 OUR 79 HG3 OUR 79 7.080 -3.894 -6.372 143 HG2 OUR 79 HG2 OUR 79 5.842 -4.559 -7.452 144 HD3 OUR 79 HD3 OUR 79 7.272 -3.900 -9.432 145 HD2 OUR 79 HD2 OUR 79 8.540 -3.382 -8.313 146 HE OUR 79 HE OUR 79 9.011 -5.543 -7.718 147 HH12 OUR 79 2HH1 OUR 79 6.895 -7.140 -10.812 148 HH11 OUR 79 1HH1 OUR 79 6.844 -5.438 -10.607 149 HH22 OUR 79 2HH2 OUR 79 9.607 -7.561 -8.600 150 HM2 OUR 79 HM2 OUR 79 4.173 -0.466 -7.799 151 HM3 OUR 79 HM3 OUR 79 5.396 0.118 -6.664 152 HN2 OUR 79 HN2 OUR 79 2.551 -0.514 -6.061 153 HH21 OUR 79 1HH2 OUR 79 8.838 -8.158 -10.004 154 H OUH 80 H OUH 80 1.435 1.054 -5.097 155 HA OUH 80 HA OUH 80 3.068 2.294 -2.952 156 HB2 OUH 80 HB2 OUH 80 0.911 3.510 -4.164 157 HB3 OUH 80 HB3 OUH 80 1.599 3.902 -2.613 158 HD2 OUH 80 HD2 OUH 80 0.358 2.977 -0.365 159 HD1 OUH 80 HD1 OUH 80 -1.653 2.389 -4.026 160 HE1 OUH 80 HE1 OUH 80 -3.280 2.092 -2.020 161 HM2 OUH 80 HM2 OUH 80 0.724 0.386 -2.542 162 HM3 OUH 80 HM3 OUH 80 1.781 1.078 -1.296 163 HN2 OUH 80 HN2 OUH 80 2.845 -0.673 -3.451 164 H1 OUK 81 H OUK 81 4.464 -1.969 -2.932 165 HA OUK 81 HA OUK 81 5.823 -1.136 -0.430 166 HB2 OUK 81 HB2 OUK 81 7.083 -3.295 -0.397 167 HB3 OUK 81 HB3 OUK 81 6.056 -3.913 -1.691 168 HG2 OUK 81 HG2 OUK 81 4.037 -3.638 -0.203 169 HG3 OUK 81 HG3 OUK 81 5.072 -3.014 1.082 170 HD2 OUK 81 HD2 OUK 81 6.295 -5.198 1.157 171 HD3 OUK 81 HD3 OUK 81 5.311 -5.792 -0.189 172 HE2 OUK 81 HE2 OUK 81 3.236 -5.511 1.206 173 HE3 OUK 81 HE3 OUK 81 4.247 -4.994 2.579 174 HZ3 OUK 81 HZ3 OUK 81 3.588 -7.281 2.748 175 HZ1 OUK 81 HZ1 OUK 81 5.258 -7.188 2.587 176 HZ2 OUK 81 HZ2 OUK 81 4.312 -7.664 1.278 177 HM3 OUK 81 HM3 OUK 81 7.899 -1.364 -1.766 178 HM2 OUK 81 HM2 OUK 81 6.957 -1.955 -3.146 179 HN2 OUK 81 HN2 OUK 81 6.140 0.197 -3.551 180 H OUI 82 H OUI 82 5.841 2.369 -3.249 181 HA OUI 82 HA OUI 82 6.761 3.454 -0.623 182 HB OUI 82 HB OUI 82 6.969 5.678 -1.583 183 3HG1 OUI 82 3HG1 OUI 82 6.560 4.369 -4.334 184 2HG1 OUI 82 2HG1 OUI 82 5.422 5.451 -3.547 185 1HG2 OUI 82 1HG2 OUI 82 8.740 3.726 -3.139 186 2HG2 OUI 82 2HG2 OUI 82 8.910 4.026 -1.407 187 3HG2 OUI 82 3HG2 OUI 82 9.162 5.346 -2.552 188 2HD1 OUI 82 2HD1 OUI 82 8.219 6.222 -4.513 189 3HD1 OUI 82 3HD1 OUI 82 7.154 7.286 -3.571 190 1HD1 OUI 82 1HD1 OUI 82 6.666 6.734 -5.179 191 HM2 OUI 82 HM2 OUI 82 4.265 4.214 -2.199 192 HM3 OUI 82 HM3 OUI 82 4.795 4.897 -0.646 193 HN2 OUI 82 HN2 OUI 82 4.245 1.999 -1.012 194 H OUH 83 H OUH 83 3.790 0.878 0.670 195 HA OUH 83 HA OUH 83 3.039 2.174 3.210 196 HB2 OUH 83 HB2 OUH 83 2.849 -0.112 4.090 197 HB3 OUH 83 HB3 OUH 83 3.478 -0.778 2.599 198 HD2 OUH 83 HD2 OUH 83 0.768 2.063 2.584 199 HD1 OUH 83 HD1 OUH 83 1.151 -2.077 1.910 200 HE1 OUH 83 HE1 OUH 83 -1.182 -1.246 1.159 201 HM2 OUH 83 HM2 OUH 83 5.043 0.908 4.308 202 HM3 OUH 83 HM3 OUH 83 5.284 2.476 3.543 203 HN2 OUH 83 HN2 OUH 83 5.882 0.791 1.513 204 H ARG 84 H ARG 84 8.055 0.867 0.859 205 HA ARG 84 HA ARG 84 10.087 0.142 2.877 206 HB2 ARG 84 HB2 ARG 84 9.998 -0.581 0.376 207 HB3 ARG 84 HB3 ARG 84 10.541 1.050 0.001 208 HG2 ARG 84 HG2 ARG 84 12.565 0.634 1.508 209 HG3 ARG 84 HG3 ARG 84 11.988 -1.021 1.725 210 HD2 ARG 84 HD2 ARG 84 13.711 -0.997 0.036 211 HD3 ARG 84 HD3 ARG 84 12.172 -1.365 -0.741 212 HE ARG 84 HE ARG 84 12.176 0.767 -1.807 213 HH11 ARG 84 1HH1 ARG 84 15.421 2.321 -0.182 214 HH12 ARG 84 2HH1 ARG 84 14.887 0.791 0.495 215 HH21 ARG 84 1HH2 ARG 84 13.037 2.541 -2.576 216 HH22 ARG 84 2HH2 ARG 84 14.516 3.213 -1.850 217 H LYS 85 H LYS 85 9.038 3.039 1.265 218 HA LYS 85 HA LYS 85 10.769 4.743 2.950 219 HB2 LYS 85 HB2 LYS 85 10.400 5.062 -0.063 220 HB3 LYS 85 HB3 LYS 85 10.770 6.397 1.009 221 HG2 LYS 85 HG2 LYS 85 12.860 5.147 1.747 222 HG3 LYS 85 HG3 LYS 85 12.516 3.965 0.480 223 HD2 LYS 85 HD2 LYS 85 14.135 5.634 -0.331 224 HD3 LYS 85 HD3 LYS 85 12.629 5.751 -1.236 225 HE2 LYS 85 HE2 LYS 85 13.419 7.985 -0.786 226 HE3 LYS 85 HE3 LYS 85 11.964 7.720 0.160 227 HZ1 LYS 85 HZ1 LYS 85 13.593 8.756 1.538 228 HZ2 LYS 85 HZ2 LYS 85 13.508 7.212 2.086 229 HZ3 LYS 85 HZ3 LYS 85 14.759 7.701 1.114 230 H ASP 86 H ASP 86 9.809 6.602 3.563 231 HA ASP 86 HA ASP 86 6.999 7.225 2.916 232 HB2 ASP 86 HB2 ASP 86 7.145 5.311 4.591 233 HB3 ASP 86 HB3 ASP 86 7.944 6.425 5.695 234 H1 HOH 201 H1 HOH 177 7.188 11.584 1.393 235 H2 HOH 201 H2 HOH 177 8.106 10.510 1.934 236 H1 HOH 202 H1 HOH 174 4.510 8.394 3.711 237 H2 HOH 202 H2 HOH 174 3.009 8.349 3.545 238 H1 HOH 203 H1 HOH 170 5.186 6.529 9.291 239 H2 HOH 203 H2 HOH 170 5.439 5.887 7.943 240 H1 HOH 204 H1 HOH 145 -0.850 3.926 1.495 241 H2 HOH 204 H2 HOH 145 -2.120 3.582 2.247 242 H1 HOH 205 H1 HOH 171 4.798 8.691 6.374 243 H2 HOH 205 H2 HOH 171 5.135 10.115 6.760 244 H1 HOH 206 H1 HOH 164 3.967 0.109 -10.713 245 H2 HOH 206 H2 HOH 164 5.194 -0.359 -11.467 246 H1 HOH 207 H1 HOH 51 0.277 -7.604 6.483 247 H2 HOH 207 H2 HOH 51 -0.711 -6.573 5.997 248 H1 HOH 208 H1 HOH 158 -3.324 -0.941 -10.316 249 H2 HOH 208 H2 HOH 158 -3.998 0.410 -10.190 250 H1 HOH 209 H1 HOH 28 3.224 -9.637 -9.727 251 H2 HOH 209 H2 HOH 28 4.212 -10.464 -8.933 252 H1 HOH 210 H1 HOH 53 -5.994 -7.402 8.544 253 H2 HOH 210 H2 HOH 53 -5.405 -6.288 7.708 254 H1 HOH 211 H1 HOH 59 -3.968 -5.792 10.950 255 H2 HOH 211 H2 HOH 59 -4.405 -5.721 9.503 256 H1 HOH 212 H1 HOH 178 9.575 10.312 5.057 257 H2 HOH 212 H2 HOH 178 10.209 11.472 4.317 258 H1 HOH 213 H1 HOH 46 2.819 -8.615 -6.964 259 H2 HOH 213 H2 HOH 46 3.828 -7.517 -6.704 260 H1 HOH 214 H1 HOH 114 -10.983 0.126 6.685 261 H2 HOH 214 H2 HOH 114 -11.982 -0.138 7.793 262 H1 HOH 215 H1 HOH 149 3.384 5.036 -9.622 263 H2 HOH 215 H2 HOH 149 4.039 3.805 -9.039 264 H1 HOH 216 H1 HOH 80 4.330 4.716 6.594 265 H2 HOH 216 H2 HOH 80 4.731 3.447 7.316 266 H1 HOH 217 H1 HOH 172 -2.088 4.395 9.221 267 H2 HOH 217 H2 HOH 172 -2.199 3.054 8.535 268 H1 HOH 218 H1 HOH 152 1.909 5.402 -7.592 269 H2 HOH 218 H2 HOH 152 1.838 3.987 -8.127 270 H1 HOH 219 H1 HOH 36 -1.054 -7.209 7.994 271 H2 HOH 219 H2 HOH 36 -0.198 -7.578 9.190 272 H1 HOH 220 H1 HOH 116 -11.431 -0.009 -2.573 273 H2 HOH 220 H2 HOH 116 -11.531 -0.270 -4.063 274 H1 HOH 221 H1 HOH 9 -9.908 -3.500 6.091 275 H2 HOH 221 H2 HOH 9 -10.394 -2.118 5.714 276 H1 HOH 222 H1 HOH 17 0.510 -10.662 -9.118 277 H2 HOH 222 H2 HOH 17 0.510 -11.758 -8.077 278 H1 HOH 223 H1 HOH 77 -5.301 -0.059 9.053 279 H2 HOH 223 H2 HOH 77 -5.445 1.078 10.040 280 H1 HOH 224 H1 HOH 50 -1.735 -6.788 -5.488 281 H2 HOH 224 H2 HOH 50 -0.545 -7.670 -5.820 282 H1 HOH 225 H1 HOH 49 -0.554 -4.799 1.982 283 H2 HOH 225 H2 HOH 49 -1.309 -5.434 0.833 284 H1 HOH 226 H1 HOH 11 -17.321 -5.892 3.656 285 H2 HOH 226 H2 HOH 11 -18.081 -4.916 2.784 286 H1 HOH 227 H1 HOH 197 16.135 4.618 0.429 287 H2 HOH 227 H2 HOH 197 16.815 4.349 -0.899 288 H1 HOH 228 H1 HOH 161 -9.409 8.356 2.549 289 H2 HOH 228 H2 HOH 161 -8.507 7.447 1.739 290 H1 HOH 229 H1 HOH 90 15.070 -0.985 2.448 291 H2 HOH 229 H2 HOH 90 15.278 0.477 2.785 292 H1 HOH 230 H1 HOH 19 -10.686 -11.297 -5.425 293 H2 HOH 230 H2 HOH 19 -10.131 -10.029 -6.035 294 H1 HOH 231 H1 HOH 57 7.698 0.001 5.678 295 H2 HOH 231 H2 HOH 57 8.067 -0.376 7.097 296 H1 HOH 232 H1 HOH 63 7.567 -6.336 3.495 297 H2 HOH 232 H2 HOH 63 6.863 -7.198 4.524 298 H1 HOH 233 H1 HOH 40 2.364 -5.822 4.479 299 H2 HOH 233 H2 HOH 40 1.437 -7.011 4.395 300 H1 HOH 234 H1 HOH 199 10.572 2.477 -3.410 301 H2 HOH 234 H2 HOH 199 11.126 1.112 -3.757 302 H1 HOH 235 H1 HOH 81 5.540 -9.021 -10.655 303 H2 HOH 235 H2 HOH 81 5.890 -9.461 -12.058 304 H1 HOH 236 H1 HOH 175 -2.602 4.791 7.097 305 H2 HOH 236 H2 HOH 175 -2.072 6.208 7.075 306 H1 HOH 237 H1 HOH 21 -2.930 -12.993 -7.542 307 H2 HOH 237 H2 HOH 21 -1.666 -12.202 -7.276 308 H1 HOH 238 H1 HOH 123 -10.403 3.979 8.179 309 H2 HOH 238 H2 HOH 123 -9.664 5.221 8.623 310 H1 HOH 239 H1 HOH 2 -13.064 -10.813 -1.076 311 H2 HOH 239 H2 HOH 2 -12.421 -11.873 -1.939 312 H1 HOH 240 H1 HOH 121 -13.094 9.437 4.462 313 H2 HOH 240 H2 HOH 121 -14.156 9.195 5.518 314 H1 HOH 241 H1 HOH 110 -17.176 -5.301 -1.593 315 H2 HOH 241 H2 HOH 110 -18.515 -5.637 -0.970 316 H1 HOH 242 H1 HOH 27 -3.726 -12.216 -12.893 317 H2 HOH 242 H2 HOH 27 -2.664 -12.836 -13.779 318 H1 HOH 243 H1 HOH 194 7.138 -3.336 -11.644 319 H2 HOH 243 H2 HOH 194 5.840 -3.704 -12.330 320 H1 HOH 244 H1 HOH 24 2.476 -11.639 -6.823 321 H2 HOH 244 H2 HOH 24 1.361 -10.624 -6.697 322 H1 HOH 245 H1 HOH 41 2.790 -8.572 0.214 323 H2 HOH 245 H2 HOH 41 2.448 -7.971 -1.133 324 H1 HOH 246 H1 HOH 154 -6.220 -1.152 -8.389 325 H2 HOH 246 H2 HOH 154 -7.293 -0.477 -9.216 326 H1 HOH 247 H1 HOH 137 -1.892 -10.074 -14.106 327 H2 HOH 247 H2 HOH 137 -1.327 -8.679 -13.932 328 H1 HOH 248 H1 HOH 95 11.348 -6.287 -7.652 329 H2 HOH 248 H2 HOH 95 11.044 -7.077 -6.397 330 H1 HOH 249 H1 HOH 155 -6.509 -2.967 -9.487 331 H2 HOH 249 H2 HOH 155 -5.434 -3.600 -10.347 332 H1 HOH 250 H1 HOH 101 -12.733 1.557 3.286 333 H2 HOH 250 H2 HOH 101 -13.143 2.077 1.925 334 H1 HOH 251 H1 HOH 180 7.369 -5.775 -13.017 335 H2 HOH 251 H2 HOH 180 7.027 -7.249 -13.100 336 H1 HOH 252 H1 HOH 48 3.340 -9.737 2.237 337 H2 HOH 252 H2 HOH 48 1.829 -9.782 2.143 338 H1 HOH 253 H1 HOH 126 -3.784 -8.577 -13.960 339 H2 HOH 253 H2 HOH 126 -5.079 -8.932 -14.663 340 H1 HOH 254 H1 HOH 120 -13.956 7.175 7.820 341 H2 HOH 254 H2 HOH 120 -15.460 7.105 7.666 342 H1 HOH 255 H1 HOH 94 11.386 -9.848 -10.080 343 H2 HOH 255 H2 HOH 94 11.158 -9.875 -8.583 344 H1 HOH 256 H1 HOH 34 5.221 -10.834 3.046 345 H2 HOH 256 H2 HOH 34 5.081 -9.684 4.020 346 H1 HOH 257 H1 HOH 109 -11.326 9.857 3.014 347 H2 HOH 257 H2 HOH 109 -12.490 10.290 2.145 348 H1 HOH 258 H1 HOH 143 -0.786 5.949 -1.267 349 H2 HOH 258 H2 HOH 143 -2.045 5.191 -0.902 350 H1 HOH 259 H1 HOH 44 6.528 -9.163 0.346 351 H2 HOH 259 H2 HOH 44 7.370 -7.918 0.529 352 H1 HOH 260 H1 HOH 136 1.571 -4.912 -12.479 353 H2 HOH 260 H2 HOH 136 1.842 -4.676 -13.947 354 H1 HOH 261 H1 HOH 122 -11.920 8.439 8.686 355 H2 HOH 261 H2 HOH 122 -12.816 7.845 9.751 356 H1 HOH 262 H1 HOH 140 -3.933 5.502 -0.362 357 H2 HOH 262 H2 HOH 140 -4.849 4.486 -1.011 358 H1 HOH 263 H1 HOH 10 -12.275 -9.889 1.081 359 H2 HOH 263 H2 HOH 10 -13.271 -10.986 1.387 360 H1 HOH 264 H1 HOH 189 11.521 -5.692 -9.826 361 H2 HOH 264 H2 HOH 189 10.599 -5.798 -11.024 362 H1 HOH 265 H1 HOH 147 -10.328 -0.353 -6.302 363 H2 HOH 265 H2 HOH 147 -11.157 -1.504 -5.764 364 H1 HOH 266 H1 HOH 135 -5.823 -12.365 -11.425 365 H2 HOH 266 H2 HOH 135 -6.004 -13.033 -12.770 366 H1 HOH 267 H1 HOH 12 -16.630 -7.237 -0.858 367 H2 HOH 267 H2 HOH 12 -16.269 -8.570 -1.483 368 H1 HOH 268 H1 HOH 124 -11.589 9.530 5.869 369 H2 HOH 268 H2 HOH 124 -10.491 9.584 6.911 370 H1 HOH 269 H1 HOH 148 -2.312 -1.466 -11.861 371 H2 HOH 269 H2 HOH 148 -2.819 -2.869 -11.583 372 H1 HOH 270 H1 HOH 181 10.775 -7.274 -13.016 373 H2 HOH 270 H2 HOH 181 9.363 -6.919 -12.602 374 H1 HOH 271 H1 HOH 179 -8.927 10.537 3.540 375 H2 HOH 271 H2 HOH 179 -9.871 9.774 4.444 376 H1 HOH 272 H1 HOH 107 -15.253 3.930 6.560 377 H2 HOH 272 H2 HOH 107 -14.399 5.164 6.374 378 H1 HOH 273 H1 HOH 74 7.727 4.763 6.567 379 H2 HOH 273 H2 HOH 74 9.132 4.602 7.104 380 H1 HOH 274 H1 HOH 3 -14.327 -11.205 -3.250 381 H2 HOH 274 H2 HOH 3 -15.756 -10.705 -3.347 382 H1 HOH 275 H1 HOH 129 -1.390 -6.526 -13.144 383 H2 HOH 275 H2 HOH 129 -0.712 -5.185 -12.976 384 H1 HOH 276 H1 HOH 173 5.188 10.900 2.466 385 H2 HOH 276 H2 HOH 173 5.384 12.312 2.974 386 H1 HOH 277 H1 HOH 25 4.093 -10.152 -6.900 387 H2 HOH 277 H2 HOH 25 5.066 -11.316 -6.930 388 H1 HOH 278 H1 HOH 98 14.103 1.845 4.223 389 H2 HOH 278 H2 HOH 98 15.393 1.713 5.002 390 H1 HOH 279 H1 HOH 71 5.961 3.981 8.838 391 H2 HOH 279 H2 HOH 71 7.036 3.312 8.006 392 H1 HOH 280 H1 HOH 33 -1.741 -7.140 -0.898 393 H2 HOH 280 H2 HOH 33 -2.030 -7.712 0.472 394 H1 HOH 281 H1 HOH 64 9.539 -2.699 4.049 395 H2 HOH 281 H2 HOH 64 8.145 -2.263 4.452 396 H1 HOH 282 H1 HOH 104 -15.989 -4.685 -3.627 397 H2 HOH 282 H2 HOH 104 -16.331 -3.473 -2.777 398 H1 HOH 283 H1 HOH 85 13.458 -6.985 -9.165 399 H2 HOH 283 H2 HOH 85 12.169 -7.779 -9.107 400 H1 HOH 284 H1 HOH 83 13.824 -2.059 -2.793 401 H2 HOH 284 H2 HOH 83 14.694 -3.279 -2.999 402 H1 HOH 285 H1 HOH 4 -12.911 -8.744 3.212 403 H2 HOH 285 H2 HOH 4 -11.491 -8.226 3.130 404 H1 HOH 286 H1 HOH 176 4.527 8.519 8.588 405 H2 HOH 286 H2 HOH 176 4.390 8.932 10.039 406 H1 HOH 287 H1 HOH 115 -12.897 -2.643 -5.290 407 H2 HOH 287 H2 HOH 115 -12.737 -3.418 -6.583 408 H1 HOH 288 H1 HOH 127 -2.996 -4.925 -12.138 409 H2 HOH 288 H2 HOH 127 -4.474 -5.214 -11.967 410 H1 HOH 289 H1 HOH 108 -12.351 3.525 0.435 411 H2 HOH 289 H2 HOH 108 -11.390 2.398 0.732 412 H1 HOH 290 H1 HOH 99 -12.955 -7.780 -7.285 413 H2 HOH 290 H2 HOH 99 -14.271 -8.170 -6.649 414 H1 HOH 291 H1 HOH 113 -9.689 1.757 9.075 415 H2 HOH 291 H2 HOH 113 -10.843 1.758 8.092 416 H1 HOH 292 H1 HOH 167 3.520 7.272 -6.936 417 H2 HOH 292 H2 HOH 167 4.000 5.836 -6.911 418 H1 HOH 293 H1 HOH 75 -3.494 2.665 10.153 419 H2 HOH 293 H2 HOH 75 -4.503 3.034 11.217 420 H1 HOH 294 H1 HOH 52 8.907 -2.331 0.622 421 H2 HOH 294 H2 HOH 52 9.066 -2.839 2.040 422 H1 HOH 295 H1 HOH 13 -8.842 -0.583 9.878 423 H2 HOH 295 H2 HOH 13 -7.777 0.491 9.804 424 H1 HOH 296 H1 HOH 163 2.408 0.258 -13.937 425 H2 HOH 296 H2 HOH 163 3.433 0.145 -12.825 426 H1 HOH 297 H1 HOH 125 -10.200 10.098 9.201 427 H2 HOH 297 H2 HOH 125 -9.483 8.816 8.836 428 H1 HOH 298 H1 HOH 22 -7.649 -11.367 -10.345 429 H2 HOH 298 H2 HOH 22 -7.389 -12.453 -9.323 430 H1 HOH 299 H1 HOH 7 -7.027 -5.503 8.979 431 H2 HOH 299 H2 HOH 7 -6.782 -5.169 10.431 432 H1 HOH 300 H1 HOH 16 -11.544 -12.054 -0.127 433 H2 HOH 300 H2 HOH 16 -10.434 -13.082 -0.189 434 H1 HOH 301 H1 HOH 100 -15.390 -10.283 -6.892 435 H2 HOH 301 H2 HOH 100 -14.966 -10.161 -5.445 436 H1 HOH 302 H1 HOH 132 -6.253 -5.980 -13.178 437 H2 HOH 302 H2 HOH 132 -5.391 -7.201 -12.931 438 H1 HOH 303 H1 HOH 196 4.697 1.574 -13.677 439 H2 HOH 303 H2 HOH 196 5.251 2.882 -13.150 440 H1 HOH 304 H1 HOH 169 4.526 -2.252 -13.657 441 H2 HOH 304 H2 HOH 169 4.188 -2.166 -12.184 442 H1 HOH 305 H1 HOH 131 -6.972 -6.302 -11.099 443 H2 HOH 305 H2 HOH 131 -7.134 -5.203 -10.071 444 H1 HOH 306 H1 HOH 193 10.359 -0.527 -5.486 445 H2 HOH 306 H2 HOH 193 10.980 -1.125 -4.240 446 H1 HOH 307 H1 HOH 91 12.083 -3.148 -2.994 447 H2 HOH 307 H2 HOH 91 10.973 -3.341 -4.005 448 H1 HOH 308 H1 HOH 93 10.338 -5.198 -5.553 449 H2 HOH 308 H2 HOH 93 9.473 -5.119 -4.310 450 H1 HOH 309 H1 HOH 18 -4.479 -14.122 -9.250 451 H2 HOH 309 H2 HOH 18 -4.087 -15.250 -8.321 452 H1 HOH 310 H1 HOH 26 -5.004 -12.135 -5.424 453 H2 HOH 310 H2 HOH 26 -3.636 -11.590 -5.777 454 H1 HOH 311 H1 HOH 82 9.998 -10.685 -6.647 455 H2 HOH 311 H2 HOH 82 10.990 -11.764 -7.033 456 H1 HOH 312 H1 HOH 198 18.014 1.994 -4.524 457 H2 HOH 312 H2 HOH 198 17.003 3.114 -4.376 458 H1 HOH 313 H1 HOH 43 -2.410 -8.602 -2.619 459 H2 HOH 313 H2 HOH 43 -1.488 -7.664 -3.369 460 H1 HOH 314 H1 HOH 29 4.200 -11.758 -12.397 461 H2 HOH 314 H2 HOH 29 4.313 -10.607 -11.419 462 H1 HOH 315 H1 HOH 54 -0.565 -6.045 11.267 463 H2 HOH 315 H2 HOH 54 0.849 -6.570 11.144 464 H1 HOH 316 H1 HOH 185 16.312 5.158 -4.745 465 H2 HOH 316 H2 HOH 185 15.497 4.595 -5.892 466 H1 HOH 317 H1 HOH 138 -9.589 5.088 -1.098 467 H2 HOH 317 H2 HOH 138 -10.136 3.704 -0.823 468 H1 HOH 318 H1 HOH 112 -12.831 1.591 5.749 469 H2 HOH 318 H2 HOH 112 -13.607 2.819 5.319 470 H1 HOH 319 H1 HOH 62 -5.651 -8.332 4.760 471 H2 HOH 319 H2 HOH 62 -7.145 -8.504 4.601 472 H1 HOH 320 H1 HOH 14 -7.404 -2.120 9.838 473 H2 HOH 320 H2 HOH 14 -8.273 -3.359 9.813 474 H1 HOH 321 H1 HOH 6 -11.036 -6.470 4.865 475 H2 HOH 321 H2 HOH 6 -9.772 -6.945 5.550 476 H1 HOH 322 H1 HOH 186 7.420 -1.135 -11.399 477 H2 HOH 322 H2 HOH 186 8.286 -1.170 -10.159 478 H1 HOH 323 H1 HOH 192 10.964 9.554 -1.769 479 H2 HOH 323 H2 HOH 192 11.442 9.715 -3.196 480 H1 HOH 324 H1 HOH 55 1.460 -5.036 6.222 481 H2 HOH 324 H2 HOH 55 2.648 -4.108 6.371 482 H1 HOH 325 H1 HOH 45 5.046 -8.997 6.275 483 H2 HOH 325 H2 HOH 45 6.263 -9.895 6.220 484 H1 HOH 326 H1 HOH 144 3.604 8.609 -0.020 485 H2 HOH 326 H2 HOH 144 3.214 8.373 1.424 486 H1 HOH 327 H1 HOH 72 0.967 2.889 9.922 487 H2 HOH 327 H2 HOH 72 -0.535 2.730 10.053 488 H1 HOH 328 H1 HOH 190 7.518 -0.193 -13.338 489 H2 HOH 328 H2 HOH 190 6.418 0.733 -12.870 490 H1 HOH 329 H1 HOH 39 9.732 -7.896 1.389 491 H2 HOH 329 H2 HOH 39 8.859 -6.757 1.872 492 H1 HOH 330 H1 HOH 92 13.791 -3.495 -0.715 493 H2 HOH 330 H2 HOH 92 14.804 -3.750 0.379 494 H1 HOH 331 H1 HOH 134 -8.590 -7.332 -9.573 495 H2 HOH 331 H2 HOH 134 -10.095 -7.202 -9.614 496 H1 HOH 332 H1 HOH 106 -14.087 0.476 -2.950 497 H2 HOH 332 H2 HOH 106 -14.353 0.717 -1.478 498 H1 HOH 333 H1 HOH 73 2.911 4.583 9.573 499 H2 HOH 333 H2 HOH 73 2.857 3.741 8.318 500 H1 HOH 334 H1 HOH 191 18.785 4.273 -1.499 501 H2 HOH 334 H2 HOH 191 18.008 3.814 -2.718 502 H1 HOH 335 H1 HOH 183 10.153 -1.706 -7.688 503 H2 HOH 335 H2 HOH 183 9.471 -0.357 -7.620 504 H1 HOH 336 H1 HOH 89 8.179 -9.730 -5.170 505 H2 HOH 336 H2 HOH 89 9.252 -10.483 -4.414 506 H1 HOH 337 H1 HOH 32 -6.774 -13.198 -6.959 507 H2 HOH 337 H2 HOH 32 -5.340 -13.682 -7.051 508 H1 HOH 338 H1 HOH 56 6.065 -1.278 6.941 509 H2 HOH 338 H2 HOH 56 5.201 -0.691 8.039 510 H1 HOH 339 H1 HOH 37 6.252 -7.741 -1.557 511 H2 HOH 339 H2 HOH 37 5.102 -7.232 -2.398 512 H1 HOH 340 H1 HOH 102 -20.167 -3.776 2.045 513 H2 HOH 340 H2 HOH 102 -20.355 -4.419 3.401 514 H1 HOH 341 H1 HOH 142 5.475 7.333 -8.077 515 H2 HOH 341 H2 HOH 142 5.360 5.957 -8.707 516 H1 HOH 342 H1 HOH 117 -13.254 -1.499 -3.555 517 H2 HOH 342 H2 HOH 117 -14.671 -2.027 -3.472 518 H1 HOH 343 H1 HOH 133 0.572 -6.802 -13.807 519 H2 HOH 343 H2 HOH 133 0.929 -8.231 -14.152 520 H1 HOH 344 H1 HOH 166 -9.594 4.033 -3.116 521 H2 HOH 344 H2 HOH 166 -10.033 2.976 -4.107 522 H1 HOH 345 H1 HOH 150 -1.696 0.637 -12.737 523 H2 HOH 345 H2 HOH 150 -3.130 0.629 -13.220 524 H1 HOH 346 H1 HOH 103 -17.334 -1.375 -2.628 525 H2 HOH 346 H2 HOH 103 -15.912 -0.934 -2.368 526 H1 HOH 347 H1 HOH 195 14.679 8.610 -3.480 527 H2 HOH 347 H2 HOH 195 16.027 7.918 -3.445 528 H1 HOH 348 H1 HOH 105 -14.602 3.776 1.958 529 H2 HOH 348 H2 HOH 105 -14.344 4.214 0.531 530 H1 HOH 349 H1 HOH 60 8.329 -5.497 -2.414 531 H2 HOH 349 H2 HOH 60 7.409 -6.382 -3.224 532 H1 HOH 350 H1 HOH 111 -15.184 -6.099 -5.617 533 H2 HOH 350 H2 HOH 111 -14.910 -4.625 -5.792 534 H1 HOH 351 H1 HOH 35 6.540 -8.339 -3.955 535 H2 HOH 351 H2 HOH 35 5.957 -8.875 -5.246 536 H1 HOH 352 H1 HOH 15 -7.854 -6.493 7.160 537 H2 HOH 352 H2 HOH 15 -9.062 -5.950 7.890 538 H1 HOH 353 H1 HOH 76 -1.262 -4.806 13.190 539 H2 HOH 353 H2 HOH 76 -1.495 -3.769 12.113 540 H1 HOH 354 H1 HOH 65 10.024 -5.252 2.848 541 H2 HOH 354 H2 HOH 65 8.783 -4.559 3.366 542 H1 HOH 355 H1 HOH 31 -9.848 -12.930 -4.330 543 H2 HOH 355 H2 HOH 31 -9.322 -13.761 -5.474 544 H1 HOH 356 H1 HOH 69 -2.647 -1.517 12.455 545 H2 HOH 356 H2 HOH 69 -1.178 -1.258 12.194 546 H1 HOH 357 H1 HOH 156 -3.215 7.967 0.772 547 H2 HOH 357 H2 HOH 156 -2.473 6.761 0.245 548 H1 HOH 358 H1 HOH 1 -18.041 -9.946 -2.702 549 H2 HOH 358 H2 HOH 1 -17.380 -9.065 -3.739 550 H1 HOH 359 H1 HOH 96 12.009 -2.818 4.721 551 H2 HOH 359 H2 HOH 96 11.543 -3.491 3.446 552 H1 HOH 360 H1 HOH 159 0.186 1.148 -13.720 553 H2 HOH 360 H2 HOH 159 0.243 2.335 -12.781 554 H1 HOH 361 H1 HOH 86 16.929 -2.371 0.607 555 H2 HOH 361 H2 HOH 86 17.364 -3.808 0.796 556 H1 HOH 362 H1 HOH 97 14.009 -3.085 2.245 557 H2 HOH 362 H2 HOH 97 15.518 -2.986 2.261 558 H1 HOH 363 H1 HOH 42 -3.798 -10.492 -3.646 559 H2 HOH 363 H2 HOH 42 -3.971 -10.255 -2.158 560 H1 HOH 364 H1 HOH 130 -9.630 -10.233 -11.196 561 H2 HOH 364 H2 HOH 130 -9.076 -9.411 -10.052 562 H1 HOH 365 H1 HOH 87 20.635 3.336 -0.102 563 H2 HOH 365 H2 HOH 87 19.284 2.966 0.470 564 H1 HOH 366 H1 HOH 146 -6.718 3.990 0.074 565 H2 HOH 366 H2 HOH 146 -7.502 4.049 -1.220 566 H1 HOH 367 H1 HOH 8 -12.764 -5.167 5.942 567 H2 HOH 367 H2 HOH 8 -11.706 -4.349 5.232 568 H1 HOH 368 H1 HOH 66 7.488 -11.233 -6.121 569 H2 HOH 368 H2 HOH 66 7.128 -12.384 -7.035 570 H1 HOH 369 H1 HOH 139 -1.659 5.297 -8.561 571 H2 HOH 369 H2 HOH 139 -0.207 5.720 -8.456 572 H1 HOH 370 H1 HOH 61 -5.976 -9.607 2.661 573 H2 HOH 370 H2 HOH 61 -5.107 -10.827 2.443 574 H1 HOH 371 H1 HOH 157 -6.396 3.004 -8.709 575 H2 HOH 371 H2 HOH 157 -5.390 3.977 -9.288 576 H1 HOH 372 H1 HOH 182 7.289 5.548 -7.781 577 H2 HOH 372 H2 HOH 182 7.393 4.423 -6.773 578 H1 HOH 373 H1 HOH 187 17.881 6.904 -4.077 579 H2 HOH 373 H2 HOH 187 17.400 5.872 -3.076 580 H1 HOH 374 H1 HOH 5 -13.768 -8.903 5.359 581 H2 HOH 374 H2 HOH 5 -14.875 -9.645 4.644 582 H1 HOH 375 H1 HOH 128 -10.540 -4.729 -11.011 583 H2 HOH 375 H2 HOH 128 -9.352 -5.519 -10.504 584 H1 HOH 376 H1 HOH 58 -9.202 -14.475 1.315 585 H2 HOH 376 H2 HOH 58 -8.428 -13.177 1.222 586 H1 HOH 377 H1 HOH 151 1.228 0.273 -15.796 587 H2 HOH 377 H2 HOH 151 0.249 -0.684 -15.150 588 H1 HOH 378 H1 HOH 184 9.994 1.489 -8.711 589 H2 HOH 378 H2 HOH 184 8.534 1.495 -9.102 590 H1 HOH 379 H1 HOH 118 -15.418 6.020 -0.687 591 H2 HOH 379 H2 HOH 118 -14.095 5.684 -1.339 592 H1 HOH 380 H1 HOH 79 5.715 1.481 8.956 593 H2 HOH 380 H2 HOH 79 4.603 0.826 9.750 594 H1 HOH 381 H1 HOH 30 -8.901 -12.788 -7.135 595 H2 HOH 381 H2 HOH 30 -8.773 -13.929 -8.118 596 H1 HOH 382 H1 HOH 67 -0.028 0.875 11.335 597 H2 HOH 382 H2 HOH 67 -0.112 0.863 12.845 598 H1 HOH 383 H1 HOH 119 -13.748 -4.636 -8.345 599 H2 HOH 383 H2 HOH 119 -13.625 -5.668 -7.243 600 H1 HOH 384 H1 HOH 153 -2.164 3.119 -8.951 601 H2 HOH 384 H2 HOH 153 -3.622 3.448 -8.716 602 H1 HOH 385 H1 HOH 84 12.343 -4.310 1.198 603 H2 HOH 385 H2 HOH 84 10.901 -3.891 1.420 604 H1 HOH 386 H1 HOH 47 4.053 -2.672 7.496 605 H2 HOH 386 H2 HOH 47 3.328 -3.298 8.669 606 H1 HOH 387 H1 HOH 88 14.376 -2.870 5.934 607 H2 HOH 387 H2 HOH 88 14.179 -2.737 4.439 608 H1 HOH 388 H1 HOH 38 -5.211 -10.412 0.233 609 H2 HOH 388 H2 HOH 38 -5.875 -10.442 -1.127 610 H1 HOH 389 H1 HOH 23 -9.907 -14.394 -2.294 611 H2 HOH 389 H2 HOH 23 -8.449 -14.215 -1.933 612 H1 HOH 390 H1 HOH 188 10.690 5.986 -7.063 613 H2 HOH 390 H2 HOH 188 9.608 4.929 -7.016 614 H1 HOH 391 H1 HOH 168 4.113 9.498 -7.873 615 H2 HOH 391 H2 HOH 168 4.897 9.233 -6.607 616 H1 HOH 392 H1 HOH 160 5.854 11.469 -2.426 617 H2 HOH 392 H2 HOH 160 6.880 10.358 -2.391 618 H1 HOH 393 H1 HOH 68 2.257 1.192 10.722 619 H2 HOH 393 H2 HOH 68 3.049 2.328 10.116 620 H1 HOH 394 H1 HOH 162 -8.811 3.773 -7.585 621 H2 HOH 394 H2 HOH 162 -9.193 3.245 -8.949 622 H1 HOH 395 H1 HOH 70 4.150 -2.077 10.439 623 H2 HOH 395 H2 HOH 70 2.812 -2.476 11.024 624 H1 HOH 396 H1 HOH 78 1.121 -1.074 12.107 625 H2 HOH 396 H2 HOH 78 1.990 -1.652 13.204 626 H1 HOH 397 H1 HOH 165 -9.521 5.928 -6.422 627 H2 HOH 397 H2 HOH 165 -9.648 4.648 -5.622 628 H1 HOH 398 H1 HOH 20 -8.191 -15.042 -4.364 629 H2 HOH 398 H2 HOH 20 -7.184 -14.663 -5.433 630 H1 HOH 399 H1 HOH 141 -5.050 6.542 -9.939 631 H2 HOH 399 H2 HOH 141 -4.005 5.604 -9.373 Start of MODEL 6 1 HA PRO 62 HA PRO 62 -11.041 -7.280 -4.047 2 HB2 PRO 62 HB2 PRO 62 -12.741 -6.035 -1.860 3 HB3 PRO 62 HB3 PRO 62 -11.847 -5.225 -3.187 4 HG2 PRO 62 HG2 PRO 62 -14.480 -5.668 -3.522 5 HG3 PRO 62 HG3 PRO 62 -13.353 -6.121 -4.845 6 HD2 PRO 62 HD2 PRO 62 -14.546 -7.896 -2.706 7 HD3 PRO 62 HD3 PRO 62 -14.488 -8.183 -4.461 8 H PHE 63 H PHE 63 -9.738 -5.986 -2.149 9 HA PHE 63 HA PHE 63 -9.397 -7.714 0.241 10 HB2 PHE 63 HB2 PHE 63 -7.507 -7.605 -1.912 11 HB3 PHE 63 HB3 PHE 63 -6.818 -6.672 -0.603 12 HD1 PHE 63 HD1 PHE 63 -7.983 -10.002 -1.688 13 HD2 PHE 63 HD2 PHE 63 -6.356 -7.745 1.617 14 HE1 PHE 63 HE1 PHE 63 -7.590 -12.104 -0.436 15 HE2 PHE 63 HE2 PHE 63 -6.069 -9.827 2.894 16 HZ PHE 63 HZ PHE 63 -6.673 -12.026 1.873 17 H ALA 64 H ALA 64 -7.724 -6.446 1.768 18 HA ALA 64 HA ALA 64 -8.110 -3.536 1.653 19 HB1 ALA 64 HB1 ALA 64 -8.951 -3.438 3.971 20 HB2 ALA 64 HB2 ALA 64 -10.065 -4.358 2.938 21 HB3 ALA 64 HB3 ALA 64 -8.973 -5.215 4.051 22 H CYS 65 H CYS 65 -6.775 -2.382 3.180 23 HA CYS 65 HA CYS 65 -4.142 -3.673 3.663 24 HB2 CYS 65 HB2 CYS 65 -5.052 -0.773 3.792 25 HB3 CYS 65 HB3 CYS 65 -3.375 -1.357 3.889 26 H ASP 66 H ASP 66 -3.096 -3.544 5.735 27 HA ASP 66 HA ASP 66 -4.763 -3.096 8.133 28 HB2 ASP 66 HB2 ASP 66 -2.724 -3.539 9.384 29 HB3 ASP 66 HB3 ASP 66 -3.042 -4.829 8.233 30 H ILE 67 H ILE 67 -1.864 -1.616 6.646 31 HA ILE 67 HA ILE 67 -1.556 0.499 8.389 32 HB ILE 67 HB ILE 67 -0.840 0.280 5.447 33 HG12 ILE 67 2HG1 ILE 67 0.200 -1.400 6.908 34 HG13 ILE 67 3HG1 ILE 67 1.366 -0.325 6.169 35 HG21 ILE 67 HG21 ILE 67 -0.761 2.641 5.847 36 HG22 ILE 67 HG22 ILE 67 0.052 2.422 7.411 37 HG23 ILE 67 HG23 ILE 67 0.899 2.047 5.892 38 HD11 ILE 67 1HD1 ILE 67 1.604 0.911 8.323 39 HD12 ILE 67 2HD1 ILE 67 0.429 -0.202 9.074 40 HD13 ILE 67 3HD1 ILE 67 1.981 -0.809 8.470 41 H CYS 68 H CYS 68 -2.991 0.967 5.164 42 HA CYS 68 HA CYS 68 -4.016 3.510 5.705 43 HB2 CYS 68 HB2 CYS 68 -4.774 1.528 3.516 44 HB3 CYS 68 HB3 CYS 68 -4.865 3.304 3.436 45 H GLY 69 H GLY 69 -5.377 0.545 6.629 46 HA2 GLY 69 HA2 GLY 69 -7.399 -0.325 7.155 47 HA3 GLY 69 HA3 GLY 69 -7.969 1.326 7.392 48 H ARG 70 H ARG 70 -7.149 1.288 4.253 49 HA ARG 70 HA ARG 70 -9.934 1.305 3.409 50 HB2 ARG 70 HB2 ARG 70 -7.274 2.015 2.127 51 HB3 ARG 70 HB3 ARG 70 -8.773 2.015 1.182 52 HG2 ARG 70 HG2 ARG 70 -9.810 3.647 2.569 53 HG3 ARG 70 HG3 ARG 70 -8.575 3.518 3.817 54 HD2 ARG 70 HD2 ARG 70 -6.892 4.490 2.289 55 HD3 ARG 70 HD3 ARG 70 -8.107 4.585 1.008 56 HE ARG 70 HE ARG 70 -9.140 6.389 2.076 57 HH11 ARG 70 1HH1 ARG 70 -6.942 6.540 5.388 58 HH12 ARG 70 2HH1 ARG 70 -6.804 5.097 4.411 59 HH21 ARG 70 1HH2 ARG 70 -9.264 8.067 3.411 60 HH22 ARG 70 2HH2 ARG 70 -8.183 8.200 4.787 61 H LYS 71 H LYS 71 -10.842 0.320 1.608 62 HA LYS 71 HA LYS 71 -10.014 -2.464 1.061 63 HB2 LYS 71 HB2 LYS 71 -12.302 -0.850 -0.122 64 HB3 LYS 71 HB3 LYS 71 -12.051 -2.597 -0.250 65 HG2 LYS 71 HG2 LYS 71 -12.274 -2.732 2.286 66 HG3 LYS 71 HG3 LYS 71 -12.679 -1.009 2.285 67 HD2 LYS 71 HD2 LYS 71 -14.742 -2.114 2.397 68 HD3 LYS 71 HD3 LYS 71 -14.614 -1.565 0.716 69 HE2 LYS 71 HE2 LYS 71 -13.809 -3.872 0.079 70 HE3 LYS 71 HE3 LYS 71 -13.993 -4.356 1.775 71 HZ1 LYS 71 HZ1 LYS 71 -16.165 -3.584 -0.098 72 HZ2 LYS 71 HZ2 LYS 71 -15.969 -5.010 0.678 73 HZ3 LYS 71 HZ3 LYS 71 -16.394 -3.702 1.532 74 H PHE 72 H PHE 72 -9.557 -3.229 -1.087 75 HA PHE 72 HA PHE 72 -8.816 -1.275 -3.152 76 HB2 PHE 72 HB2 PHE 72 -6.934 -1.659 -1.244 77 HB3 PHE 72 HB3 PHE 72 -6.570 -3.060 -2.229 78 HD1 PHE 72 HD1 PHE 72 -5.199 -2.752 -4.220 79 HD2 PHE 72 HD2 PHE 72 -7.073 0.651 -2.339 80 HE1 PHE 72 HE1 PHE 72 -3.982 -1.233 -5.752 81 HE2 PHE 72 HE2 PHE 72 -5.819 2.173 -3.864 82 HZ PHE 72 HZ PHE 72 -4.287 1.227 -5.575 83 H ALA 73 H ALA 73 -7.807 -2.273 -5.017 84 HA ALA 73 HA ALA 73 -8.858 -4.902 -5.820 85 HB1 ALA 73 HB1 ALA 73 -8.753 -2.886 -7.334 86 HB2 ALA 73 HB2 ALA 73 -6.978 -2.962 -7.243 87 HB3 ALA 73 HB3 ALA 73 -7.909 -4.294 -7.963 88 H ARG 74 H ARG 74 -6.587 -5.736 -7.322 89 HA ARG 74 HA ARG 74 -4.777 -6.762 -5.170 90 HB2 ARG 74 HB2 ARG 74 -5.944 -8.479 -6.301 91 HB3 ARG 74 HB3 ARG 74 -5.617 -7.799 -7.893 92 HG2 ARG 74 HG2 ARG 74 -3.295 -8.449 -7.797 93 HG3 ARG 74 HG3 ARG 74 -3.433 -8.945 -6.086 94 HD2 ARG 74 HD2 ARG 74 -4.927 -10.738 -6.608 95 HD3 ARG 74 HD3 ARG 74 -5.266 -10.086 -8.217 96 HE ARG 74 HE ARG 74 -3.626 -11.388 -9.041 97 HH11 ARG 74 1HH1 ARG 74 -2.461 -13.061 -9.033 98 HH12 ARG 74 2HH1 ARG 74 -1.447 -13.453 -7.653 99 HH21 ARG 74 1HH2 ARG 74 -2.053 -10.725 -5.948 100 HH22 ARG 74 2HH2 ARG 74 -1.779 -12.440 -5.767 101 H SER 75 H SER 75 -4.446 -5.787 -8.603 102 HA SER 75 HA SER 75 -2.758 -4.682 -9.700 103 HB2 SER 75 HB2 SER 75 -3.011 -3.041 -7.163 104 HB3 SER 75 HB3 SER 75 -2.112 -2.518 -8.602 105 HG SER 75 HG SER 75 -3.854 -2.423 -9.771 106 H1 OUD 76 H OUD 76 -1.314 -6.652 -9.499 107 HA OUD 76 HA OUD 76 1.038 -6.158 -7.785 108 HB3 OUD 76 HB3 OUD 76 -0.087 -8.482 -8.376 109 HB2 OUD 76 HB2 OUD 76 0.917 -8.407 -9.808 110 HM3 OUD 76 HM3 OUD 76 2.618 -5.706 -9.427 111 HM2 OUD 76 HM2 OUD 76 1.679 -6.468 -10.711 112 HN2 OUD 76 HN2 OUD 76 0.243 -4.532 -10.813 113 H OUE 77 H OUE 77 -0.460 -2.605 -10.237 114 HA OUE 77 HA OUE 77 1.628 -0.641 -9.474 115 HB3 OUE 77 HB3 OUE 77 0.393 -0.280 -11.594 116 HB2 OUE 77 HB2 OUE 77 -1.138 -0.359 -10.741 117 HG3 OUE 77 HG3 OUE 77 -0.678 1.948 -11.204 118 HG2 OUE 77 HG2 OUE 77 -0.535 1.753 -9.473 119 HM2 OUE 77 HM2 OUE 77 -1.150 -0.447 -8.249 120 HM3 OUE 77 HM3 OUE 77 0.318 0.460 -7.829 121 HN2 OUE 77 HN2 OUE 77 0.479 -2.409 -7.426 122 H1 OUK 78 H OUK 78 -0.840 -3.445 -5.887 123 HA OUK 78 HA OUK 78 0.822 -2.340 -3.705 124 HB2 OUK 78 HB2 OUK 78 0.342 -4.472 -2.471 125 HB3 OUK 78 HB3 OUK 78 -0.783 -4.956 -3.734 126 HG2 OUK 78 HG2 OUK 78 -2.259 -2.987 -3.173 127 HG3 OUK 78 HG3 OUK 78 -1.118 -2.524 -1.904 128 HD2 OUK 78 HD2 OUK 78 -1.474 -4.809 -0.848 129 HD3 OUK 78 HD3 OUK 78 -2.713 -5.154 -2.050 130 HE2 OUK 78 HE2 OUK 78 -4.159 -3.373 -1.205 131 HE3 OUK 78 HE3 OUK 78 -2.848 -2.719 -0.202 132 HZ3 OUK 78 HZ3 OUK 78 -4.254 -5.286 0.306 133 HZ1 OUK 78 HZ1 OUK 78 -4.395 -3.838 1.185 134 HZ2 OUK 78 HZ2 OUK 78 -2.972 -4.706 1.176 135 HM3 OUK 78 HM3 OUK 78 2.236 -4.326 -4.036 136 HM2 OUK 78 HM2 OUK 78 1.093 -4.990 -5.208 137 HN2 OUK 78 HN2 OUK 78 1.814 -3.500 -6.842 138 H OUR 79 H OUR 79 3.360 -2.334 -7.853 139 HA OUR 79 HA OUR 79 5.357 -0.910 -6.165 140 HB3 OUR 79 HB3 OUR 79 5.415 -1.194 -9.213 141 HB2 OUR 79 HB2 OUR 79 6.647 -0.473 -8.184 142 HG3 OUR 79 HG3 OUR 79 7.085 -2.762 -7.147 143 HG2 OUR 79 HG2 OUR 79 5.881 -3.424 -8.265 144 HD3 OUR 79 HD3 OUR 79 7.290 -2.325 -10.169 145 HD2 OUR 79 HD2 OUR 79 8.575 -2.149 -8.956 146 HE OUR 79 HE OUR 79 7.557 -4.528 -10.303 147 HH12 OUR 79 2HH1 OUR 79 8.124 -6.762 -9.077 148 HH11 OUR 79 1HH1 OUR 79 9.844 -6.723 -9.010 149 HH22 OUR 79 2HH2 OUR 79 10.131 -3.343 -8.065 150 HM2 OUR 79 HM2 OUR 79 3.743 0.289 -8.459 151 HM3 OUR 79 HM3 OUR 79 4.841 1.145 -7.371 152 HN2 OUR 79 HN2 OUR 79 2.073 0.482 -6.957 153 HH21 OUR 79 1HH2 OUR 79 10.895 -4.906 -8.150 154 H OUH 80 H OUH 80 1.053 1.189 -5.182 155 HA OUH 80 HA OUH 80 2.724 2.482 -3.095 156 HB2 OUH 80 HB2 OUH 80 0.477 3.580 -4.049 157 HB3 OUH 80 HB3 OUH 80 1.028 3.779 -2.410 158 HD2 OUH 80 HD2 OUH 80 -0.419 2.784 -0.338 159 HD1 OUH 80 HD1 OUH 80 -1.596 1.367 -4.163 160 HE1 OUH 80 HE1 OUH 80 -3.254 0.476 -2.396 161 HM2 OUH 80 HM2 OUH 80 0.714 0.225 -2.645 162 HM3 OUH 80 HM3 OUH 80 1.614 1.095 -1.381 163 HN2 OUH 80 HN2 OUH 80 3.137 -0.274 -3.501 164 H1 OUK 81 H OUK 81 4.503 -1.825 -2.852 165 HA OUK 81 HA OUK 81 5.808 -0.768 -0.445 166 HB2 OUK 81 HB2 OUK 81 7.156 -2.932 -0.243 167 HB3 OUK 81 HB3 OUK 81 5.977 -3.693 -1.303 168 HG2 OUK 81 HG2 OUK 81 4.159 -3.043 0.395 169 HG3 OUK 81 HG3 OUK 81 5.437 -2.450 1.457 170 HD2 OUK 81 HD2 OUK 81 6.447 -4.786 1.453 171 HD3 OUK 81 HD3 OUK 81 5.150 -5.302 0.382 172 HE2 OUK 81 HE2 OUK 81 4.473 -6.017 2.544 173 HE3 OUK 81 HE3 OUK 81 3.473 -4.594 2.218 174 HZ3 OUK 81 HZ3 OUK 81 4.822 -3.334 3.766 175 HZ1 OUK 81 HZ1 OUK 81 5.927 -4.578 3.913 176 HZ2 OUK 81 HZ2 OUK 81 4.368 -4.748 4.491 177 HM3 OUK 81 HM3 OUK 81 7.886 -1.191 -1.770 178 HM2 OUK 81 HM2 OUK 81 6.906 -1.909 -3.060 179 HN2 OUK 81 HN2 OUK 81 6.138 0.224 -3.676 180 H OUI 82 H OUI 82 6.017 2.434 -3.640 181 HA OUI 82 HA OUI 82 6.699 3.656 -1.016 182 HB OUI 82 HB OUI 82 6.541 5.878 -2.060 183 3HG1 OUI 82 3HG1 OUI 82 6.624 4.403 -4.752 184 2HG1 OUI 82 2HG1 OUI 82 5.233 5.262 -4.113 185 1HG2 OUI 82 1HG2 OUI 82 8.766 4.149 -3.254 186 2HG2 OUI 82 2HG2 OUI 82 8.713 4.724 -1.578 187 3HG2 OUI 82 3HG2 OUI 82 8.835 5.884 -2.890 188 2HD1 OUI 82 2HD1 OUI 82 7.901 6.526 -4.916 189 3HD1 OUI 82 3HD1 OUI 82 6.610 7.396 -4.063 190 1HD1 OUI 82 1HD1 OUI 82 6.326 6.738 -5.681 191 HM2 OUI 82 HM2 OUI 82 4.155 4.046 -2.616 192 HM3 OUI 82 HM3 OUI 82 4.575 4.851 -1.087 193 HN2 OUI 82 HN2 OUI 82 4.753 1.977 -0.940 194 H OUH 83 H OUH 83 3.699 1.001 0.590 195 HA OUH 83 HA OUH 83 2.838 2.815 2.771 196 HB2 OUH 83 HB2 OUH 83 2.978 0.893 4.249 197 HB3 OUH 83 HB3 OUH 83 3.747 -0.089 3.017 198 HD2 OUH 83 HD2 OUH 83 0.464 2.111 2.268 199 HD1 OUH 83 HD1 OUH 83 1.728 -1.937 2.613 200 HE1 OUH 83 HE1 OUH 83 -0.662 -1.868 1.638 201 HM2 OUH 83 HM2 OUH 83 5.056 2.258 3.909 202 HM3 OUH 83 HM3 OUH 83 5.150 3.359 2.526 203 HN2 OUH 83 HN2 OUH 83 5.800 1.383 1.146 204 H ARG 84 H ARG 84 7.448 0.407 0.834 205 HA ARG 84 HA ARG 84 9.307 -0.507 2.972 206 HB2 ARG 84 HB2 ARG 84 8.959 -1.761 0.845 207 HB3 ARG 84 HB3 ARG 84 9.518 -0.353 -0.068 208 HG2 ARG 84 HG2 ARG 84 11.767 -0.568 0.930 209 HG3 ARG 84 HG3 ARG 84 11.206 -1.954 1.903 210 HD2 ARG 84 HD2 ARG 84 10.740 -3.233 -0.120 211 HD3 ARG 84 HD3 ARG 84 11.077 -1.817 -1.135 212 HE ARG 84 HE ARG 84 13.229 -2.856 0.648 213 HH11 ARG 84 1HH1 ARG 84 15.172 -3.887 -1.997 214 HH12 ARG 84 2HH1 ARG 84 15.084 -3.630 -0.277 215 HH21 ARG 84 1HH2 ARG 84 13.402 -3.535 -3.283 216 HH22 ARG 84 2HH2 ARG 84 12.018 -2.684 -2.651 217 H LYS 85 H LYS 85 8.681 2.258 1.077 218 HA LYS 85 HA LYS 85 10.274 3.869 2.830 219 HB2 LYS 85 HB2 LYS 85 11.911 3.992 1.114 220 HB3 LYS 85 HB3 LYS 85 10.701 3.889 -0.177 221 HG2 LYS 85 HG2 LYS 85 9.988 6.140 0.156 222 HG3 LYS 85 HG3 LYS 85 10.941 6.313 1.645 223 HD2 LYS 85 HD2 LYS 85 12.992 6.373 0.414 224 HD3 LYS 85 HD3 LYS 85 12.206 5.826 -1.083 225 HE2 LYS 85 HE2 LYS 85 12.677 8.276 -1.069 226 HE3 LYS 85 HE3 LYS 85 10.978 7.883 -1.322 227 HZ1 LYS 85 HZ1 LYS 85 12.081 8.679 1.325 228 HZ2 LYS 85 HZ2 LYS 85 11.397 9.730 0.267 229 HZ3 LYS 85 HZ3 LYS 85 10.491 8.535 0.919 230 H ASP 86 H ASP 86 9.220 6.061 2.872 231 HA ASP 86 HA ASP 86 6.589 6.195 1.556 232 HB2 ASP 86 HB2 ASP 86 6.181 5.934 3.927 233 HB3 ASP 86 HB3 ASP 86 7.400 7.168 4.288 234 H1 HOH 201 H1 HOH 185 9.457 9.658 2.376 235 H2 HOH 201 H2 HOH 185 9.096 11.112 2.612 236 H1 HOH 202 H1 HOH 161 2.200 8.676 2.193 237 H2 HOH 202 H2 HOH 161 2.858 7.722 3.165 238 H1 HOH 203 H1 HOH 160 6.366 10.286 2.622 239 H2 HOH 203 H2 HOH 160 6.831 9.958 1.219 240 H1 HOH 204 H1 HOH 166 7.037 9.415 4.915 241 H2 HOH 204 H2 HOH 166 7.036 9.812 6.376 242 H1 HOH 205 H1 HOH 34 4.332 -8.973 -7.539 243 H2 HOH 205 H2 HOH 34 5.058 -10.231 -7.113 244 H1 HOH 206 H1 HOH 14 -10.742 0.779 6.695 245 H2 HOH 206 H2 HOH 14 -11.860 0.507 7.680 246 H1 HOH 207 H1 HOH 145 1.557 1.661 -14.323 247 H2 HOH 207 H2 HOH 145 1.020 2.028 -12.957 248 H1 HOH 208 H1 HOH 153 4.830 9.120 -0.873 249 H2 HOH 208 H2 HOH 153 6.238 8.577 -0.769 250 H1 HOH 209 H1 HOH 122 -2.914 -1.914 -12.131 251 H2 HOH 209 H2 HOH 122 -3.695 -1.084 -11.134 252 H1 HOH 210 H1 HOH 77 -5.835 -0.653 9.128 253 H2 HOH 210 H2 HOH 77 -6.488 -0.294 10.444 254 H1 HOH 211 H1 HOH 162 -9.921 1.550 -1.093 255 H2 HOH 211 H2 HOH 162 -9.738 2.903 -1.751 256 H1 HOH 212 H1 HOH 165 3.290 7.313 5.243 257 H2 HOH 212 H2 HOH 165 1.897 7.767 4.877 258 H1 HOH 213 H1 HOH 103 12.388 -0.672 4.826 259 H2 HOH 213 H2 HOH 103 12.108 0.096 3.553 260 H1 HOH 214 H1 HOH 15 -8.239 -2.574 8.019 261 H2 HOH 214 H2 HOH 15 -7.569 -2.852 6.692 262 H1 HOH 215 H1 HOH 35 0.094 -9.100 -6.277 263 H2 HOH 215 H2 HOH 35 -0.003 -9.778 -4.931 264 H1 HOH 216 H1 HOH 80 0.164 -5.713 7.738 265 H2 HOH 216 H2 HOH 80 -0.439 -5.378 6.398 266 H1 HOH 217 H1 HOH 136 -5.645 -3.102 -9.708 267 H2 HOH 217 H2 HOH 136 -6.017 -2.962 -11.168 268 H1 HOH 218 H1 HOH 68 2.313 -3.400 7.985 269 H2 HOH 218 H2 HOH 68 0.995 -3.523 7.257 270 H1 HOH 219 H1 HOH 23 4.374 -8.667 -5.425 271 H2 HOH 219 H2 HOH 23 2.890 -8.388 -5.367 272 H1 HOH 220 H1 HOH 89 13.138 -5.269 -5.046 273 H2 HOH 220 H2 HOH 89 14.622 -4.955 -4.979 274 H1 HOH 221 H1 HOH 13 -10.471 -9.994 0.015 275 H2 HOH 221 H2 HOH 13 -11.553 -10.190 1.054 276 H1 HOH 222 H1 HOH 48 -1.512 -6.625 1.292 277 H2 HOH 222 H2 HOH 48 -0.612 -5.631 1.994 278 H1 HOH 223 H1 HOH 43 -4.007 -12.856 -11.116 279 H2 HOH 223 H2 HOH 43 -2.833 -11.902 -11.250 280 H1 HOH 224 H1 HOH 140 0.484 3.885 -10.809 281 H2 HOH 224 H2 HOH 140 0.467 5.209 -11.538 282 H1 HOH 225 H1 HOH 55 -10.616 -10.000 -6.157 283 H2 HOH 225 H2 HOH 55 -10.745 -10.436 -4.713 284 H1 HOH 226 H1 HOH 4 -17.270 -7.273 1.164 285 H2 HOH 226 H2 HOH 4 -16.527 -6.666 2.336 286 H1 HOH 227 H1 HOH 62 4.478 -1.811 6.233 287 H2 HOH 227 H2 HOH 62 3.329 -2.786 6.110 288 H1 HOH 228 H1 HOH 150 -6.135 9.813 5.366 289 H2 HOH 228 H2 HOH 150 -6.867 8.871 6.301 290 H1 HOH 229 H1 HOH 113 -17.299 -4.669 -2.365 291 H2 HOH 229 H2 HOH 113 -17.271 -3.214 -1.937 292 H1 HOH 230 H1 HOH 8 -17.085 -4.776 3.516 293 H2 HOH 230 H2 HOH 8 -18.139 -3.701 3.678 294 H1 HOH 231 H1 HOH 41 -4.299 -7.878 -0.608 295 H2 HOH 231 H2 HOH 41 -3.001 -7.578 0.111 296 H1 HOH 232 H1 HOH 29 0.923 -12.856 -7.253 297 H2 HOH 232 H2 HOH 29 0.444 -14.217 -7.720 298 H1 HOH 233 H1 HOH 79 8.223 -3.302 4.639 299 H2 HOH 233 H2 HOH 79 8.458 -4.307 3.527 300 H1 HOH 234 H1 HOH 63 9.877 1.042 6.006 301 H2 HOH 234 H2 HOH 63 8.731 0.675 5.090 302 H1 HOH 235 H1 HOH 39 -1.123 -14.631 -5.381 303 H2 HOH 235 H2 HOH 39 -2.606 -14.936 -5.480 304 H1 HOH 236 H1 HOH 182 11.862 12.350 -0.507 305 H2 HOH 236 H2 HOH 182 10.847 11.272 -0.824 306 H1 HOH 237 H1 HOH 102 13.465 -2.136 3.000 307 H2 HOH 237 H2 HOH 102 14.834 -2.649 2.599 308 H1 HOH 238 H1 HOH 97 17.296 -3.639 -2.558 309 H2 HOH 238 H2 HOH 97 17.050 -5.044 -2.041 310 H1 HOH 239 H1 HOH 176 10.396 -0.967 -7.445 311 H2 HOH 239 H2 HOH 176 10.344 -1.551 -6.047 312 H1 HOH 240 H1 HOH 175 7.600 -3.938 -12.610 313 H2 HOH 240 H2 HOH 175 7.094 -5.329 -12.932 314 H1 HOH 241 H1 HOH 139 3.067 1.200 -11.725 315 H2 HOH 241 H2 HOH 139 3.255 0.259 -10.567 316 H1 HOH 242 H1 HOH 167 -7.716 6.782 7.437 317 H2 HOH 242 H2 HOH 167 -6.282 7.003 7.881 318 H1 HOH 243 H1 HOH 25 1.883 -10.572 -7.654 319 H2 HOH 243 H2 HOH 25 2.283 -11.405 -8.847 320 H1 HOH 244 H1 HOH 85 12.391 -6.946 -9.999 321 H2 HOH 244 H2 HOH 85 12.080 -7.514 -8.627 322 H1 HOH 245 H1 HOH 118 -12.231 2.535 1.433 323 H2 HOH 245 H2 HOH 118 -11.468 2.107 0.193 324 H1 HOH 246 H1 HOH 7 -14.588 -10.458 -1.331 325 H2 HOH 246 H2 HOH 7 -13.454 -9.966 -0.455 326 H1 HOH 247 H1 HOH 69 1.844 -4.106 5.356 327 H2 HOH 247 H2 HOH 69 2.689 -5.351 5.205 328 H1 HOH 248 H1 HOH 120 -11.557 8.681 1.803 329 H2 HOH 248 H2 HOH 120 -10.052 8.573 1.680 330 H1 HOH 249 H1 HOH 144 3.083 -3.529 -11.511 331 H2 HOH 249 H2 HOH 144 2.817 -4.221 -12.830 332 H1 HOH 250 H1 HOH 76 3.888 -6.085 6.985 333 H2 HOH 250 H2 HOH 76 5.056 -6.154 6.021 334 H1 HOH 251 H1 HOH 187 13.877 8.898 2.181 335 H2 HOH 251 H2 HOH 187 13.186 9.083 3.517 336 H1 HOH 252 H1 HOH 61 2.449 -2.572 10.330 337 H2 HOH 252 H2 HOH 61 1.393 -3.521 9.794 338 H1 HOH 253 H1 HOH 45 6.614 -8.336 -7.064 339 H2 HOH 253 H2 HOH 45 6.999 -6.912 -6.719 340 H1 HOH 254 H1 HOH 64 7.282 -6.721 5.204 341 H2 HOH 254 H2 HOH 64 7.239 -5.217 5.370 342 H1 HOH 255 H1 HOH 16 -12.977 -1.654 5.696 343 H2 HOH 255 H2 HOH 16 -11.559 -1.149 5.499 344 H1 HOH 256 H1 HOH 179 14.227 10.732 0.765 345 H2 HOH 256 H2 HOH 179 14.606 9.557 -0.110 346 H1 HOH 257 H1 HOH 169 -7.914 9.636 1.548 347 H2 HOH 257 H2 HOH 169 -7.916 8.426 0.632 348 H1 HOH 258 H1 HOH 134 -7.609 -6.043 -9.508 349 H2 HOH 258 H2 HOH 134 -6.567 -5.013 -9.894 350 H1 HOH 259 H1 HOH 82 -2.150 1.917 9.940 351 H2 HOH 259 H2 HOH 82 -1.501 2.440 11.203 352 H1 HOH 260 H1 HOH 152 3.858 10.222 2.665 353 H2 HOH 260 H2 HOH 152 4.659 10.614 1.446 354 H1 HOH 261 H1 HOH 107 -17.690 -0.562 1.071 355 H2 HOH 261 H2 HOH 107 -18.517 -1.805 0.826 356 H1 HOH 262 H1 HOH 129 -5.315 -6.849 -10.209 357 H2 HOH 262 H2 HOH 129 -4.995 -8.279 -10.586 358 H1 HOH 263 H1 HOH 40 -0.396 -15.319 -9.964 359 H2 HOH 263 H2 HOH 40 -0.352 -16.319 -8.829 360 H1 HOH 264 H1 HOH 1 -14.105 -11.012 -5.517 361 H2 HOH 264 H2 HOH 1 -15.578 -10.796 -5.243 362 H1 HOH 265 H1 HOH 121 -8.834 5.129 6.548 363 H2 HOH 265 H2 HOH 121 -9.543 4.940 7.872 364 H1 HOH 266 H1 HOH 158 -6.576 6.923 -0.994 365 H2 HOH 266 H2 HOH 158 -6.106 6.924 0.449 366 H1 HOH 267 H1 HOH 75 -3.913 -8.056 4.260 367 H2 HOH 267 H2 HOH 75 -4.988 -7.008 4.472 368 H1 HOH 268 H1 HOH 108 -14.204 -2.288 -2.000 369 H2 HOH 268 H2 HOH 108 -14.315 -3.306 -3.114 370 H1 HOH 269 H1 HOH 170 9.338 9.112 5.363 371 H2 HOH 269 H2 HOH 170 10.159 9.632 4.204 372 H1 HOH 270 H1 HOH 99 17.569 -6.662 -0.262 373 H2 HOH 270 H2 HOH 99 17.258 -5.293 0.307 374 H1 HOH 271 H1 HOH 49 -9.391 -11.983 -3.388 375 H2 HOH 271 H2 HOH 49 -10.797 -11.862 -2.839 376 H1 HOH 272 H1 HOH 116 -11.600 6.515 4.695 377 H2 HOH 272 H2 HOH 116 -11.471 6.924 3.241 378 H1 HOH 273 H1 HOH 147 -8.257 11.546 3.331 379 H2 HOH 273 H2 HOH 147 -7.580 10.411 4.071 380 H1 HOH 274 H1 HOH 115 -10.483 6.711 6.727 381 H2 HOH 274 H2 HOH 115 -11.569 7.744 6.952 382 H1 HOH 275 H1 HOH 2 -13.606 -9.703 1.991 383 H2 HOH 275 H2 HOH 2 -12.948 -8.496 1.357 384 H1 HOH 276 H1 HOH 128 -3.771 1.330 -10.658 385 H2 HOH 276 H2 HOH 128 -4.860 0.540 -9.959 386 H1 HOH 277 H1 HOH 178 8.898 10.802 -2.110 387 H2 HOH 277 H2 HOH 178 8.423 10.837 -0.673 388 H1 HOH 278 H1 HOH 131 -10.925 -1.115 -6.075 389 H2 HOH 278 H2 HOH 131 -10.120 0.003 -5.447 390 H1 HOH 279 H1 HOH 183 8.826 -0.818 -4.664 391 H2 HOH 279 H2 HOH 183 10.087 -0.099 -4.235 392 H1 HOH 280 H1 HOH 94 17.538 -1.587 -2.940 393 H2 HOH 280 H2 HOH 94 18.604 -1.569 -1.863 394 H1 HOH 281 H1 HOH 159 -4.065 5.907 1.607 395 H2 HOH 281 H2 HOH 159 -4.708 7.159 2.160 396 H1 HOH 282 H1 HOH 33 -7.188 -11.115 -10.791 397 H2 HOH 282 H2 HOH 33 -6.134 -12.192 -10.646 398 H1 HOH 283 H1 HOH 198 12.160 7.283 3.687 399 H2 HOH 283 H2 HOH 198 10.943 7.468 4.568 400 H1 HOH 284 H1 HOH 104 12.484 4.080 4.619 401 H2 HOH 284 H2 HOH 104 11.489 5.195 4.848 402 H1 HOH 285 H1 HOH 86 9.531 -8.917 -5.356 403 H2 HOH 285 H2 HOH 86 9.001 -8.105 -6.517 404 H1 HOH 286 H1 HOH 117 -12.722 3.483 5.489 405 H2 HOH 286 H2 HOH 117 -12.029 2.173 5.800 406 H1 HOH 287 H1 HOH 59 6.338 -5.607 -5.108 407 H2 HOH 287 H2 HOH 59 5.401 -5.017 -6.142 408 H1 HOH 288 H1 HOH 5 -12.552 -11.707 -1.572 409 H2 HOH 288 H2 HOH 5 -12.644 -13.201 -1.805 410 H1 HOH 289 H1 HOH 106 -17.217 -1.337 -1.157 411 H2 HOH 289 H2 HOH 106 -16.019 -1.042 -2.039 412 H1 HOH 290 H1 HOH 67 6.107 -7.866 1.683 413 H2 HOH 290 H2 HOH 67 5.085 -8.513 2.593 414 H1 HOH 291 H1 HOH 52 -3.924 -16.864 -6.088 415 H2 HOH 291 H2 HOH 52 -4.678 -15.701 -6.699 416 H1 HOH 292 H1 HOH 142 -2.222 -7.290 -12.522 417 H2 HOH 292 H2 HOH 142 -3.080 -7.732 -11.357 418 H1 HOH 293 H1 HOH 56 -6.798 -12.354 -8.628 419 H2 HOH 293 H2 HOH 56 -6.995 -12.382 -7.123 420 H1 HOH 294 H1 HOH 91 11.124 -6.807 -5.661 421 H2 HOH 294 H2 HOH 91 12.440 -7.076 -6.355 422 H1 HOH 295 H1 HOH 28 -4.644 -12.780 -3.185 423 H2 HOH 295 H2 HOH 28 -4.667 -13.648 -4.423 424 H1 HOH 296 H1 HOH 125 -6.904 1.287 -8.730 425 H2 HOH 296 H2 HOH 125 -6.782 -0.222 -8.765 426 H1 HOH 297 H1 HOH 92 14.705 1.089 2.220 427 H2 HOH 297 H2 HOH 92 14.163 -0.048 3.061 428 H1 HOH 298 H1 HOH 100 17.759 -4.672 2.550 429 H2 HOH 298 H2 HOH 100 17.018 -3.504 1.936 430 H1 HOH 299 H1 HOH 171 10.599 -2.711 -13.059 431 H2 HOH 299 H2 HOH 171 9.257 -2.237 -12.544 432 H1 HOH 300 H1 HOH 146 4.559 -2.297 -12.479 433 H2 HOH 300 H2 HOH 146 4.657 -0.822 -12.144 434 H1 HOH 301 H1 HOH 199 9.379 1.400 -5.571 435 H2 HOH 301 H2 HOH 199 9.175 0.996 -7.019 436 H1 HOH 302 H1 HOH 174 10.943 -1.377 -11.004 437 H2 HOH 302 H2 HOH 174 12.273 -1.313 -10.280 438 H1 HOH 303 H1 HOH 9 -15.414 -6.223 4.401 439 H2 HOH 303 H2 HOH 9 -16.721 -6.858 4.824 440 H1 HOH 304 H1 HOH 188 14.710 10.082 -2.431 441 H2 HOH 304 H2 HOH 188 14.418 8.597 -2.386 442 H1 HOH 305 H1 HOH 157 -3.073 8.384 3.333 443 H2 HOH 305 H2 HOH 157 -4.299 9.244 3.568 444 H1 HOH 306 H1 HOH 12 -12.599 -6.261 2.607 445 H2 HOH 306 H2 HOH 12 -11.754 -7.507 2.719 446 H1 HOH 307 H1 HOH 74 10.796 3.143 6.028 447 H2 HOH 307 H2 HOH 74 10.126 3.121 7.385 448 H1 HOH 308 H1 HOH 193 10.096 2.487 -3.753 449 H2 HOH 308 H2 HOH 193 11.409 1.817 -4.102 450 H1 HOH 309 H1 HOH 173 7.624 -1.800 -14.098 451 H2 HOH 309 H2 HOH 173 6.767 -2.004 -12.866 452 H1 HOH 310 H1 HOH 132 -10.468 -0.995 -8.213 453 H2 HOH 310 H2 HOH 132 -11.020 -2.404 -8.284 454 H1 HOH 311 H1 HOH 65 9.102 -2.453 6.731 455 H2 HOH 311 H2 HOH 65 9.227 -1.412 5.640 456 H1 HOH 312 H1 HOH 17 -10.664 2.679 7.970 457 H2 HOH 312 H2 HOH 17 -9.957 3.001 9.270 458 H1 HOH 313 H1 HOH 138 -2.217 2.362 -13.776 459 H2 HOH 313 H2 HOH 138 -0.948 1.538 -13.749 460 H1 HOH 314 H1 HOH 123 -1.050 -1.329 -13.861 461 H2 HOH 314 H2 HOH 123 -2.041 -0.265 -13.442 462 H1 HOH 315 H1 HOH 164 -1.010 6.231 -4.112 463 H2 HOH 315 H2 HOH 164 -1.480 6.510 -2.701 464 H1 HOH 316 H1 HOH 124 -2.142 -9.738 -12.063 465 H2 HOH 316 H2 HOH 124 -1.217 -10.758 -12.691 466 H1 HOH 317 H1 HOH 60 7.167 -5.907 -2.725 467 H2 HOH 317 H2 HOH 60 5.863 -6.599 -3.067 468 H1 HOH 318 H1 HOH 126 -9.699 -6.999 -9.878 469 H2 HOH 318 H2 HOH 126 -10.142 -6.216 -8.660 470 H1 HOH 319 H1 HOH 21 -6.252 -11.956 -5.083 471 H2 HOH 319 H2 HOH 21 -7.750 -11.848 -4.924 472 H1 HOH 320 H1 HOH 18 -9.872 -3.815 6.606 473 H2 HOH 320 H2 HOH 18 -11.262 -3.345 6.236 474 H1 HOH 321 H1 HOH 78 -1.179 -8.016 4.522 475 H2 HOH 321 H2 HOH 78 -0.281 -7.162 5.398 476 H1 HOH 322 H1 HOH 71 1.428 -5.435 3.350 477 H2 HOH 322 H2 HOH 71 0.469 -6.606 3.367 478 H1 HOH 323 H1 HOH 90 11.358 -8.734 -6.966 479 H2 HOH 323 H2 HOH 90 12.553 -9.613 -7.276 480 H1 HOH 324 H1 HOH 93 16.012 -1.060 2.395 481 H2 HOH 324 H2 HOH 93 17.443 -1.449 2.698 482 H1 HOH 325 H1 HOH 88 11.465 -7.668 -0.747 483 H2 HOH 325 H2 HOH 88 11.519 -6.575 -1.792 484 H1 HOH 326 H1 HOH 119 -12.197 4.704 2.865 485 H2 HOH 326 H2 HOH 119 -12.407 3.316 3.433 486 H1 HOH 327 H1 HOH 11 -10.540 -7.699 4.979 487 H2 HOH 327 H2 HOH 11 -10.465 -8.843 3.985 488 H1 HOH 328 H1 HOH 50 -2.919 -9.690 3.157 489 H2 HOH 328 H2 HOH 50 -2.203 -8.588 2.405 490 H1 HOH 329 H1 HOH 51 -1.551 -9.265 0.282 491 H2 HOH 329 H2 HOH 51 -0.449 -8.404 0.867 492 H1 HOH 330 H1 HOH 155 -3.327 5.522 -4.013 493 H2 HOH 330 H2 HOH 155 -3.941 5.117 -5.335 494 H1 HOH 331 H1 HOH 110 -13.966 0.265 -1.395 495 H2 HOH 331 H2 HOH 110 -13.957 -0.334 -2.786 496 H1 HOH 332 H1 HOH 3 -10.192 -12.208 0.659 497 H2 HOH 332 H2 HOH 3 -10.713 -13.078 -0.462 498 H1 HOH 333 H1 HOH 83 7.349 -7.814 3.461 499 H2 HOH 333 H2 HOH 83 8.435 -8.589 4.176 500 H1 HOH 334 H1 HOH 192 8.610 3.150 -6.398 501 H2 HOH 334 H2 HOH 192 8.232 4.493 -6.990 502 H1 HOH 335 H1 HOH 148 -1.790 5.724 2.375 503 H2 HOH 335 H2 HOH 148 -2.490 4.403 2.622 504 H1 HOH 336 H1 HOH 87 17.054 -5.897 -5.527 505 H2 HOH 336 H2 HOH 87 16.535 -5.041 -4.389 506 H1 HOH 337 H1 HOH 177 14.170 -2.575 -9.462 507 H2 HOH 337 H2 HOH 177 14.614 -1.978 -10.781 508 H1 HOH 338 H1 HOH 196 7.900 9.363 -3.630 509 H2 HOH 338 H2 HOH 196 8.985 10.096 -4.395 510 H1 HOH 339 H1 HOH 180 14.808 6.781 -2.749 511 H2 HOH 339 H2 HOH 180 13.539 6.205 -3.342 512 H1 HOH 340 H1 HOH 149 -4.515 11.649 4.240 513 H2 HOH 340 H2 HOH 149 -5.709 10.975 3.597 514 H1 HOH 341 H1 HOH 168 3.631 5.147 -7.938 515 H2 HOH 341 H2 HOH 168 4.023 6.408 -7.193 516 H1 HOH 342 H1 HOH 38 -5.740 -13.887 -12.528 517 H2 HOH 342 H2 HOH 38 -5.747 -14.328 -11.079 518 H1 HOH 343 H1 HOH 101 9.054 -6.410 3.160 519 H2 HOH 343 H2 HOH 101 10.387 -5.719 2.973 520 H1 HOH 344 H1 HOH 70 0.019 -9.040 7.990 521 H2 HOH 344 H2 HOH 70 -0.458 -7.752 7.351 522 H1 HOH 345 H1 HOH 98 16.956 -1.573 -5.141 523 H2 HOH 345 H2 HOH 98 16.744 -0.107 -4.829 524 H1 HOH 346 H1 HOH 26 -7.085 -15.793 -6.975 525 H2 HOH 346 H2 HOH 26 -6.478 -14.561 -7.611 526 H1 HOH 347 H1 HOH 172 9.785 1.272 -8.994 527 H2 HOH 347 H2 HOH 172 10.595 -0.002 -9.103 528 H1 HOH 348 H1 HOH 73 1.745 -0.573 11.665 529 H2 HOH 348 H2 HOH 73 3.000 -0.260 10.883 530 H1 HOH 349 H1 HOH 154 -0.305 6.513 4.182 531 H2 HOH 349 H2 HOH 154 0.306 7.134 2.946 532 H1 HOH 350 H1 HOH 141 -2.266 4.190 -6.742 533 H2 HOH 350 H2 HOH 141 -2.940 5.038 -7.794 534 H1 HOH 351 H1 HOH 111 -19.156 -4.985 -1.495 535 H2 HOH 351 H2 HOH 111 -20.623 -5.341 -1.634 536 H1 HOH 352 H1 HOH 6 -9.664 -10.441 2.504 537 H2 HOH 352 H2 HOH 6 -8.815 -10.685 3.737 538 H1 HOH 353 H1 HOH 112 -18.504 -6.007 -3.085 539 H2 HOH 353 H2 HOH 112 -17.988 -6.338 -4.469 540 H1 HOH 354 H1 HOH 53 7.170 -7.121 -0.102 541 H2 HOH 354 H2 HOH 53 6.007 -7.720 -0.872 542 H1 HOH 355 H1 HOH 109 -12.395 -0.531 -4.578 543 H2 HOH 355 H2 HOH 109 -13.489 0.461 -4.907 544 H1 HOH 356 H1 HOH 114 -14.368 -4.272 -6.269 545 H2 HOH 356 H2 HOH 114 -15.035 -4.980 -7.431 546 H1 HOH 357 H1 HOH 30 -6.302 -16.686 -10.356 547 H2 HOH 357 H2 HOH 30 -6.068 -15.704 -9.226 548 H1 HOH 358 H1 HOH 81 -7.787 -7.305 8.926 549 H2 HOH 358 H2 HOH 81 -7.180 -6.204 8.084 550 H1 HOH 359 H1 HOH 20 -10.189 -5.863 6.378 551 H2 HOH 359 H2 HOH 20 -9.206 -6.886 6.911 552 H1 HOH 360 H1 HOH 96 15.738 2.339 -2.519 553 H2 HOH 360 H2 HOH 96 15.967 0.843 -2.573 554 H1 HOH 361 H1 HOH 143 -12.586 -5.621 -7.470 555 H2 HOH 361 H2 HOH 143 -11.568 -4.877 -8.308 556 H1 HOH 362 H1 HOH 133 -1.456 5.004 -9.867 557 H2 HOH 362 H2 HOH 133 -2.465 6.127 -9.944 558 H1 HOH 363 H1 HOH 10 -12.017 -5.051 5.112 559 H2 HOH 363 H2 HOH 10 -12.076 -6.484 4.626 560 H1 HOH 364 H1 HOH 127 -10.049 -4.348 -9.631 561 H2 HOH 364 H2 HOH 127 -10.990 -3.470 -10.428 562 H1 HOH 365 H1 HOH 84 8.900 -5.837 0.931 563 H2 HOH 365 H2 HOH 84 9.471 -6.344 -0.378 564 H1 HOH 366 H1 HOH 57 -7.019 -13.052 -3.366 565 H2 HOH 366 H2 HOH 57 -8.228 -13.840 -2.905 566 H1 HOH 367 H1 HOH 19 -15.385 -0.844 5.718 567 H2 HOH 367 H2 HOH 19 -15.087 -2.265 6.144 568 H1 HOH 368 H1 HOH 130 -9.083 0.950 -8.767 569 H2 HOH 368 H2 HOH 130 -9.308 0.120 -10.011 570 H1 HOH 369 H1 HOH 184 13.863 1.854 -3.700 571 H2 HOH 369 H2 HOH 184 13.421 1.844 -5.148 572 H1 HOH 370 H1 HOH 47 4.216 -8.294 -1.762 573 H2 HOH 370 H2 HOH 47 4.454 -8.043 -3.236 574 H1 HOH 371 H1 HOH 95 14.818 6.590 2.861 575 H2 HOH 371 H2 HOH 95 15.693 5.713 3.730 576 H1 HOH 372 H1 HOH 27 3.769 -9.492 0.891 577 H2 HOH 372 H2 HOH 27 3.874 -10.489 2.027 578 H1 HOH 373 H1 HOH 197 6.954 5.211 -8.992 579 H2 HOH 373 H2 HOH 197 6.095 5.234 -7.747 580 H1 HOH 374 H1 HOH 190 12.744 7.699 -4.393 581 H2 HOH 374 H2 HOH 190 11.717 6.977 -5.243 582 H1 HOH 375 H1 HOH 186 16.488 6.226 -0.874 583 H2 HOH 375 H2 HOH 186 16.402 7.557 -1.592 584 H1 HOH 376 H1 HOH 46 -4.448 -10.573 6.001 585 H2 HOH 376 H2 HOH 46 -5.161 -9.558 5.139 586 H1 HOH 377 H1 HOH 44 -2.196 -11.409 -0.031 587 H2 HOH 377 H2 HOH 44 -1.192 -11.294 -1.155 588 H1 HOH 378 H1 HOH 156 -5.382 5.933 -3.250 589 H2 HOH 378 H2 HOH 156 -5.975 7.316 -3.099 590 H1 HOH 379 H1 HOH 37 1.242 -7.381 1.697 591 H2 HOH 379 H2 HOH 37 1.968 -8.710 1.746 592 H1 HOH 380 H1 HOH 163 4.892 9.132 -3.709 593 H2 HOH 380 H2 HOH 163 5.346 10.054 -4.821 594 H1 HOH 381 H1 HOH 105 -14.277 -2.129 -4.996 595 H2 HOH 381 H2 HOH 105 -15.691 -2.651 -4.856 596 H1 HOH 382 H1 HOH 195 12.178 4.933 -4.579 597 H2 HOH 382 H2 HOH 195 12.925 3.811 -3.885 598 H1 HOH 383 H1 HOH 36 2.443 -9.642 -1.435 599 H2 HOH 383 H2 HOH 36 2.261 -8.710 -0.255 600 H1 HOH 384 H1 HOH 42 -4.165 -11.216 3.874 601 H2 HOH 384 H2 HOH 42 -4.594 -11.232 2.423 602 H1 HOH 385 H1 HOH 72 -2.296 -9.402 7.210 603 H2 HOH 385 H2 HOH 72 -3.546 -8.707 6.715 604 H1 HOH 386 H1 HOH 191 10.358 4.912 -6.015 605 H2 HOH 386 H2 HOH 191 11.428 5.541 -6.881 606 H1 HOH 387 H1 HOH 189 10.298 9.813 -6.577 607 H2 HOH 387 H2 HOH 189 10.785 9.027 -5.377 608 H1 HOH 388 H1 HOH 194 17.787 5.281 0.962 609 H2 HOH 388 H2 HOH 194 16.330 5.448 1.341 610 H1 HOH 389 H1 HOH 151 2.683 8.518 -6.705 611 H2 HOH 389 H2 HOH 151 3.870 8.278 -5.798 612 H1 HOH 390 H1 HOH 135 -8.255 2.936 -7.571 613 H2 HOH 390 H2 HOH 135 -8.141 3.178 -9.062 614 H1 HOH 391 H1 HOH 66 4.237 2.180 8.919 615 H2 HOH 391 H2 HOH 66 4.567 2.378 10.382 616 H1 HOH 392 H1 HOH 54 -7.898 -11.771 5.538 617 H2 HOH 392 H2 HOH 54 -6.636 -11.268 4.869 618 H1 HOH 393 H1 HOH 137 -7.387 4.359 -5.856 619 H2 HOH 393 H2 HOH 137 -8.850 4.729 -5.971 620 H1 HOH 394 H1 HOH 22 -8.747 -14.167 0.492 621 H2 HOH 394 H2 HOH 22 -7.854 -15.061 1.333 622 H1 HOH 395 H1 HOH 58 -8.236 -15.147 -1.220 623 H2 HOH 395 H2 HOH 58 -8.734 -16.256 -2.125 624 H1 HOH 396 H1 HOH 24 -3.101 -12.351 1.627 625 H2 HOH 396 H2 HOH 24 -3.790 -13.407 0.788 626 H1 HOH 397 H1 HOH 181 16.293 4.572 -2.223 627 H2 HOH 397 H2 HOH 181 16.528 4.025 -0.833 628 H1 HOH 398 H1 HOH 31 -5.512 -14.813 1.841 629 H2 HOH 398 H2 HOH 31 -6.063 -14.335 0.519 630 H1 HOH 399 H1 HOH 32 -6.928 -16.676 3.011 631 H2 HOH 399 H2 HOH 32 -7.210 -15.393 3.762 Start of MODEL 7 1 HA PRO 62 HA PRO 62 -9.959 -6.454 -4.312 2 HB2 PRO 62 HB2 PRO 62 -12.120 -6.292 -2.278 3 HB3 PRO 62 HB3 PRO 62 -11.599 -5.070 -3.478 4 HG2 PRO 62 HG2 PRO 62 -13.970 -6.418 -3.751 5 HG3 PRO 62 HG3 PRO 62 -12.949 -6.055 -5.186 6 HD2 PRO 62 HD2 PRO 62 -12.948 -8.571 -3.488 7 HD3 PRO 62 HD3 PRO 62 -13.192 -8.459 -5.251 8 H PHE 63 H PHE 63 -9.221 -5.720 -2.105 9 HA PHE 63 HA PHE 63 -9.326 -7.623 0.086 10 HB2 PHE 63 HB2 PHE 63 -7.323 -8.268 -1.495 11 HB3 PHE 63 HB3 PHE 63 -6.533 -6.857 -0.816 12 HD1 PHE 63 HD1 PHE 63 -8.371 -10.002 0.139 13 HD2 PHE 63 HD2 PHE 63 -5.311 -7.167 1.241 14 HE1 PHE 63 HE1 PHE 63 -7.780 -11.397 2.102 15 HE2 PHE 63 HE2 PHE 63 -4.758 -8.543 3.234 16 HZ PHE 63 HZ PHE 63 -5.974 -10.670 3.651 17 H ALA 64 H ALA 64 -7.286 -6.383 1.701 18 HA ALA 64 HA ALA 64 -7.931 -3.485 1.705 19 HB1 ALA 64 HB1 ALA 64 -8.341 -5.331 4.107 20 HB2 ALA 64 HB2 ALA 64 -8.526 -3.558 4.096 21 HB3 ALA 64 HB3 ALA 64 -9.629 -4.571 3.136 22 H CYS 65 H CYS 65 -6.629 -2.275 3.318 23 HA CYS 65 HA CYS 65 -3.863 -3.363 3.735 24 HB2 CYS 65 HB2 CYS 65 -4.802 -0.477 3.727 25 HB3 CYS 65 HB3 CYS 65 -3.126 -1.059 3.737 26 H ASP 66 H ASP 66 -3.280 -3.664 5.837 27 HA ASP 66 HA ASP 66 -4.795 -2.713 8.086 28 HB2 ASP 66 HB2 ASP 66 -1.924 -3.670 7.853 29 HB3 ASP 66 HB3 ASP 66 -2.758 -3.366 9.384 30 H ILE 67 H ILE 67 -1.998 -1.337 6.383 31 HA ILE 67 HA ILE 67 -1.517 0.770 8.242 32 HB ILE 67 HB ILE 67 -0.750 0.471 5.324 33 HG12 ILE 67 2HG1 ILE 67 0.248 -1.209 6.819 34 HG13 ILE 67 3HG1 ILE 67 1.449 -0.134 6.133 35 HG21 ILE 67 HG21 ILE 67 0.136 2.640 7.264 36 HG22 ILE 67 HG22 ILE 67 0.999 2.240 5.769 37 HG23 ILE 67 HG23 ILE 67 -0.663 2.845 5.694 38 HD11 ILE 67 1HD1 ILE 67 1.598 1.101 8.292 39 HD12 ILE 67 2HD1 ILE 67 0.388 -0.000 8.993 40 HD13 ILE 67 3HD1 ILE 67 1.960 -0.620 8.470 41 H CYS 68 H CYS 68 -3.703 0.719 5.447 42 HA CYS 68 HA CYS 68 -4.454 3.558 5.896 43 HB2 CYS 68 HB2 CYS 68 -5.159 1.559 3.712 44 HB3 CYS 68 HB3 CYS 68 -5.887 3.143 3.870 45 H GLY 69 H GLY 69 -5.620 0.353 6.707 46 HA2 GLY 69 HA2 GLY 69 -7.497 -0.386 7.786 47 HA3 GLY 69 HA3 GLY 69 -8.031 1.281 8.027 48 H ARG 70 H ARG 70 -7.369 0.336 4.747 49 HA ARG 70 HA ARG 70 -10.265 0.204 4.064 50 HB2 ARG 70 HB2 ARG 70 -8.382 2.462 3.248 51 HB3 ARG 70 HB3 ARG 70 -9.906 2.116 2.419 52 HG2 ARG 70 HG2 ARG 70 -11.036 2.235 4.726 53 HG3 ARG 70 HG3 ARG 70 -9.537 2.990 5.297 54 HD2 ARG 70 HD2 ARG 70 -9.829 4.804 3.637 55 HD3 ARG 70 HD3 ARG 70 -11.255 3.982 2.984 56 HE ARG 70 HE ARG 70 -12.488 4.428 4.974 57 HH11 ARG 70 1HH1 ARG 70 -13.010 5.757 6.678 58 HH12 ARG 70 2HH1 ARG 70 -11.663 6.368 7.633 59 HH21 ARG 70 1HH2 ARG 70 -9.228 5.618 5.428 60 HH22 ARG 70 2HH2 ARG 70 -9.737 6.717 6.688 61 H LYS 71 H LYS 71 -10.557 0.316 1.658 62 HA LYS 71 HA LYS 71 -9.779 -2.382 0.940 63 HB2 LYS 71 HB2 LYS 71 -11.600 -0.279 -0.300 64 HB3 LYS 71 HB3 LYS 71 -11.390 -1.892 -0.993 65 HG2 LYS 71 HG2 LYS 71 -12.311 -2.974 0.911 66 HG3 LYS 71 HG3 LYS 71 -12.247 -1.512 1.911 67 HD2 LYS 71 HD2 LYS 71 -14.531 -1.960 1.236 68 HD3 LYS 71 HD3 LYS 71 -13.961 -0.447 0.510 69 HE2 LYS 71 HE2 LYS 71 -13.448 -1.776 -1.614 70 HE3 LYS 71 HE3 LYS 71 -14.224 -3.175 -0.837 71 HZ1 LYS 71 HZ1 LYS 71 -15.473 -0.558 -1.459 72 HZ2 LYS 71 HZ2 LYS 71 -15.808 -2.013 -2.185 73 HZ3 LYS 71 HZ3 LYS 71 -16.231 -1.760 -0.602 74 H PHE 72 H PHE 72 -9.000 -3.127 -1.054 75 HA PHE 72 HA PHE 72 -8.250 -1.214 -3.123 76 HB2 PHE 72 HB2 PHE 72 -6.218 -1.671 -1.450 77 HB3 PHE 72 HB3 PHE 72 -6.062 -3.152 -2.382 78 HD1 PHE 72 HD1 PHE 72 -4.565 -3.007 -4.261 79 HD2 PHE 72 HD2 PHE 72 -6.619 0.544 -2.893 80 HE1 PHE 72 HE1 PHE 72 -3.321 -1.628 -5.897 81 HE2 PHE 72 HE2 PHE 72 -5.390 1.890 -4.573 82 HZ PHE 72 HZ PHE 72 -3.738 0.806 -6.082 83 H ALA 73 H ALA 73 -7.478 -2.400 -5.165 84 HA ALA 73 HA ALA 73 -9.466 -4.468 -5.709 85 HB1 ALA 73 HB1 ALA 73 -9.176 -2.622 -7.250 86 HB2 ALA 73 HB2 ALA 73 -7.468 -3.033 -7.505 87 HB3 ALA 73 HB3 ALA 73 -8.747 -4.143 -8.051 88 H ARG 74 H ARG 74 -6.261 -4.621 -7.157 89 HA ARG 74 HA ARG 74 -5.298 -6.851 -5.572 90 HB2 ARG 74 HB2 ARG 74 -6.760 -8.155 -7.038 91 HB3 ARG 74 HB3 ARG 74 -6.090 -7.373 -8.475 92 HG2 ARG 74 HG2 ARG 74 -3.849 -8.362 -7.944 93 HG3 ARG 74 HG3 ARG 74 -4.551 -9.150 -6.521 94 HD2 ARG 74 HD2 ARG 74 -6.026 -10.490 -7.975 95 HD3 ARG 74 HD3 ARG 74 -5.446 -9.615 -9.399 96 HE ARG 74 HE ARG 74 -3.298 -10.617 -9.213 97 HH11 ARG 74 1HH1 ARG 74 -5.493 -12.245 -7.010 98 HH12 ARG 74 2HH1 ARG 74 -4.161 -13.046 -6.198 99 HH21 ARG 74 1HH2 ARG 74 -1.765 -12.018 -8.349 100 HH22 ARG 74 2HH2 ARG 74 -2.250 -13.029 -7.000 101 H SER 75 H SER 75 -4.801 -5.731 -8.895 102 HA SER 75 HA SER 75 -3.261 -4.436 -9.911 103 HB2 SER 75 HB2 SER 75 -2.849 -3.165 -7.224 104 HB3 SER 75 HB3 SER 75 -2.698 -2.412 -8.820 105 HG SER 75 HG SER 75 -4.924 -2.633 -9.109 106 H1 OUD 76 H OUD 76 -1.770 -5.931 -10.545 107 HA OUD 76 HA OUD 76 0.738 -6.161 -8.923 108 HB3 OUD 76 HB3 OUD 76 -0.477 -8.290 -9.291 109 HB2 OUD 76 HB2 OUD 76 -0.414 -8.037 -11.024 110 HM3 OUD 76 HM3 OUD 76 2.073 -5.878 -10.892 111 HM2 OUD 76 HM2 OUD 76 0.667 -5.987 -11.965 112 HN2 OUD 76 HN2 OUD 76 0.395 -3.722 -11.764 113 H OUE 77 H OUE 77 0.365 -1.729 -10.784 114 HA OUE 77 HA OUE 77 2.082 -1.286 -8.477 115 HB3 OUE 77 HB3 OUE 77 0.589 0.470 -10.473 116 HB2 OUE 77 HB2 OUE 77 1.178 1.164 -8.979 117 HG3 OUE 77 HG3 OUE 77 2.809 1.514 -10.757 118 HG2 OUE 77 HG2 OUE 77 3.488 0.583 -9.457 119 HM2 OUE 77 HM2 OUE 77 -0.891 -0.598 -8.321 120 HM3 OUE 77 HM3 OUE 77 0.350 -0.016 -7.199 121 HN2 OUE 77 HN2 OUE 77 -0.099 -2.941 -7.525 122 H1 OUK 78 H OUK 78 -1.236 -3.988 -5.902 123 HA OUK 78 HA OUK 78 0.415 -3.200 -3.565 124 HB2 OUK 78 HB2 OUK 78 -0.415 -5.415 -2.544 125 HB3 OUK 78 HB3 OUK 78 -1.639 -5.461 -3.802 126 HG2 OUK 78 HG2 OUK 78 -2.459 -3.169 -2.937 127 HG3 OUK 78 HG3 OUK 78 -1.329 -3.354 -1.606 128 HD2 OUK 78 HD2 OUK 78 -2.511 -5.608 -1.070 129 HD3 OUK 78 HD3 OUK 78 -3.699 -5.155 -2.284 130 HE2 OUK 78 HE2 OUK 78 -4.799 -4.228 -0.465 131 HE3 OUK 78 HE3 OUK 78 -3.737 -2.853 -0.812 132 HZ3 OUK 78 HZ3 OUK 78 -3.568 -3.150 1.439 133 HZ1 OUK 78 HZ1 OUK 78 -2.203 -4.019 0.938 134 HZ2 OUK 78 HZ2 OUK 78 -3.607 -4.806 1.388 135 HM3 OUK 78 HM3 OUK 78 1.614 -5.295 -3.939 136 HM2 OUK 78 HM2 OUK 78 0.458 -5.783 -5.188 137 HN2 OUK 78 HN2 OUK 78 1.410 -4.306 -6.721 138 H OUR 79 H OUR 79 2.982 -3.150 -7.574 139 HA OUR 79 HA OUR 79 5.432 -2.607 -6.025 140 HB3 OUR 79 HB3 OUR 79 4.676 -2.211 -8.967 141 HB2 OUR 79 HB2 OUR 79 6.261 -1.837 -8.310 142 HG3 OUR 79 HG3 OUR 79 6.693 -4.194 -7.807 143 HG2 OUR 79 HG2 OUR 79 5.040 -4.651 -8.230 144 HD3 OUR 79 HD3 OUR 79 5.364 -3.976 -10.564 145 HD2 OUR 79 HD2 OUR 79 6.977 -3.332 -10.197 146 HE OUR 79 HE OUR 79 7.202 -5.883 -9.366 147 HH12 OUR 79 2HH1 OUR 79 5.535 -5.413 -12.467 148 HH11 OUR 79 1HH1 OUR 79 6.884 -5.775 -13.439 149 HH22 OUR 79 2HH2 OUR 79 8.993 -6.723 -10.746 150 HM2 OUR 79 HM2 OUR 79 4.205 -0.325 -7.607 151 HM3 OUR 79 HM3 OUR 79 5.478 -0.259 -6.382 152 HN2 OUR 79 HN2 OUR 79 2.801 -1.106 -5.527 153 HH21 OUR 79 1HH2 OUR 79 8.787 -6.738 -12.439 154 H OUH 80 H OUH 80 1.144 0.351 -5.288 155 HA OUH 80 HA OUH 80 2.398 2.239 -3.388 156 HB2 OUH 80 HB2 OUH 80 0.011 2.766 -4.754 157 HB3 OUH 80 HB3 OUH 80 0.644 3.576 -3.345 158 HD2 OUH 80 HD2 OUH 80 -0.399 3.022 -0.935 159 HD1 OUH 80 HD1 OUH 80 -2.095 0.944 -4.198 160 HE1 OUH 80 HE1 OUH 80 -3.533 0.636 -2.060 161 HM2 OUH 80 HM2 OUH 80 0.454 -0.011 -2.724 162 HM3 OUH 80 HM3 OUH 80 1.370 1.003 -1.592 163 HN2 OUH 80 HN2 OUH 80 2.702 -0.814 -3.548 164 H1 OUK 81 H OUK 81 4.157 -2.150 -2.813 165 HA OUK 81 HA OUK 81 5.575 -1.189 -0.380 166 HB2 OUK 81 HB2 OUK 81 6.875 -3.327 -0.416 167 HB3 OUK 81 HB3 OUK 81 5.851 -3.929 -1.717 168 HG2 OUK 81 HG2 OUK 81 3.839 -3.729 -0.162 169 HG3 OUK 81 HG3 OUK 81 4.935 -3.221 1.127 170 HD2 OUK 81 HD2 OUK 81 6.174 -5.419 0.885 171 HD3 OUK 81 HD3 OUK 81 5.061 -5.881 -0.400 172 HE2 OUK 81 HE2 OUK 81 4.226 -6.973 1.554 173 HE3 OUK 81 HE3 OUK 81 3.140 -5.591 1.316 174 HZ3 OUK 81 HZ3 OUK 81 4.461 -4.433 3.094 175 HZ1 OUK 81 HZ1 OUK 81 5.323 -5.842 3.335 176 HZ2 OUK 81 HZ2 OUK 81 3.670 -5.813 3.600 177 HM3 OUK 81 HM3 OUK 81 7.618 -1.286 -1.710 178 HM2 OUK 81 HM2 OUK 81 6.762 -2.049 -3.059 179 HN2 OUK 81 HN2 OUK 81 5.829 -0.006 -3.683 180 H OUI 82 H OUI 82 5.597 2.174 -3.737 181 HA OUI 82 HA OUI 82 6.253 3.617 -1.199 182 HB OUI 82 HB OUI 82 6.371 5.696 -2.514 183 3HG1 OUI 82 3HG1 OUI 82 6.388 3.913 -5.015 184 2HG1 OUI 82 2HG1 OUI 82 5.041 4.929 -4.532 185 1HG2 OUI 82 1HG2 OUI 82 8.411 3.610 -3.445 186 2HG2 OUI 82 2HG2 OUI 82 8.402 4.363 -1.842 187 3HG2 OUI 82 3HG2 OUI 82 8.670 5.353 -3.269 188 2HD1 OUI 82 2HD1 OUI 82 7.821 5.943 -5.315 189 3HD1 OUI 82 3HD1 OUI 82 6.509 6.966 -4.700 190 1HD1 OUI 82 1HD1 OUI 82 6.320 6.104 -6.235 191 HM2 OUI 82 HM2 OUI 82 3.816 3.996 -2.993 192 HM3 OUI 82 HM3 OUI 82 4.237 4.986 -1.582 193 HN2 OUI 82 HN2 OUI 82 3.900 2.053 -1.340 194 H OUH 83 H OUH 83 3.413 1.329 0.558 195 HA OUH 83 HA OUH 83 2.696 3.190 2.742 196 HB2 OUH 83 HB2 OUH 83 2.741 1.262 4.218 197 HB3 OUH 83 HB3 OUH 83 3.391 0.235 2.957 198 HD2 OUH 83 HD2 OUH 83 0.345 2.662 2.340 199 HD1 OUH 83 HD1 OUH 83 1.296 -1.441 2.689 200 HE1 OUH 83 HE1 OUH 83 -1.113 -1.125 1.795 201 HM2 OUH 83 HM2 OUH 83 4.873 2.485 3.893 202 HM3 OUH 83 HM3 OUH 83 5.008 3.621 2.549 203 HN2 OUH 83 HN2 OUH 83 5.747 1.840 1.108 204 H ARG 84 H ARG 84 7.745 1.223 0.863 205 HA ARG 84 HA ARG 84 9.214 0.046 3.162 206 HB2 ARG 84 HB2 ARG 84 9.393 -1.003 0.982 207 HB3 ARG 84 HB3 ARG 84 9.955 0.509 0.238 208 HG2 ARG 84 HG2 ARG 84 12.051 0.393 1.429 209 HG3 ARG 84 HG3 ARG 84 11.470 -0.890 2.486 210 HD2 ARG 84 HD2 ARG 84 13.029 -1.728 0.777 211 HD3 ARG 84 HD3 ARG 84 11.408 -2.498 0.677 212 HE ARG 84 HE ARG 84 10.954 -0.978 -1.234 213 HH11 ARG 84 1HH1 ARG 84 13.234 -1.097 -3.776 214 HH12 ARG 84 2HH1 ARG 84 11.596 -0.671 -3.370 215 HH21 ARG 84 1HH2 ARG 84 14.566 -1.988 -2.405 216 HH22 ARG 84 2HH2 ARG 84 14.238 -2.071 -0.687 217 H LYS 85 H LYS 85 9.358 3.048 1.244 218 HA LYS 85 HA LYS 85 10.507 4.454 3.478 219 HB2 LYS 85 HB2 LYS 85 12.506 3.357 2.090 220 HB3 LYS 85 HB3 LYS 85 12.191 4.689 0.971 221 HG2 LYS 85 HG2 LYS 85 12.552 6.315 2.858 222 HG3 LYS 85 HG3 LYS 85 12.742 4.952 3.949 223 HD2 LYS 85 HD2 LYS 85 14.931 5.766 3.480 224 HD3 LYS 85 HD3 LYS 85 14.755 4.223 2.652 225 HE2 LYS 85 HE2 LYS 85 15.914 5.760 1.214 226 HE3 LYS 85 HE3 LYS 85 14.326 5.411 0.510 227 HZ1 LYS 85 HZ1 LYS 85 13.547 7.537 1.292 228 HZ2 LYS 85 HZ2 LYS 85 14.959 7.849 2.101 229 HZ3 LYS 85 HZ3 LYS 85 14.946 7.789 0.489 230 H ASP 86 H ASP 86 10.556 6.657 3.217 231 HA ASP 86 HA ASP 86 8.818 8.139 1.416 232 HB2 ASP 86 HB2 ASP 86 9.179 9.049 3.575 233 HB3 ASP 86 HB3 ASP 86 10.891 8.665 3.556 234 H1 HOH 201 H1 HOH 39 -1.208 -6.518 8.187 235 H2 HOH 201 H2 HOH 39 -0.359 -7.703 8.591 236 H1 HOH 202 H1 HOH 20 -6.128 -4.892 8.437 237 H2 HOH 202 H2 HOH 20 -7.608 -4.928 8.106 238 H1 HOH 203 H1 HOH 181 7.495 12.723 0.920 239 H2 HOH 203 H2 HOH 181 8.632 11.752 1.162 240 H1 HOH 204 H1 HOH 45 -2.527 -7.481 9.243 241 H2 HOH 204 H2 HOH 45 -2.762 -8.317 10.484 242 H1 HOH 205 H1 HOH 171 0.981 -0.379 -12.840 243 H2 HOH 205 H2 HOH 171 0.701 0.423 -14.094 244 H1 HOH 206 H1 HOH 194 5.941 -0.718 -11.363 245 H2 HOH 206 H2 HOH 194 6.679 0.532 -11.790 246 H1 HOH 207 H1 HOH 179 8.169 11.209 3.560 247 H2 HOH 207 H2 HOH 179 7.542 12.293 4.406 248 H1 HOH 208 H1 HOH 182 9.591 14.277 3.116 249 H2 HOH 208 H2 HOH 182 9.293 12.792 3.138 250 H1 HOH 209 H1 HOH 146 -4.795 -2.117 -11.322 251 H2 HOH 209 H2 HOH 146 -5.425 -3.473 -11.065 252 H1 HOH 210 H1 HOH 133 -9.135 1.559 -0.755 253 H2 HOH 210 H2 HOH 133 -9.828 2.638 -1.558 254 H1 HOH 211 H1 HOH 33 3.797 -10.458 -10.830 255 H2 HOH 211 H2 HOH 33 3.314 -9.796 -9.562 256 H1 HOH 212 H1 HOH 81 -3.806 0.702 9.947 257 H2 HOH 212 H2 HOH 81 -4.762 1.739 10.495 258 H1 HOH 213 H1 HOH 150 0.347 -10.707 -12.776 259 H2 HOH 213 H2 HOH 150 0.676 -9.911 -11.531 260 H1 HOH 214 H1 HOH 79 -3.894 3.774 8.547 261 H2 HOH 214 H2 HOH 79 -3.907 4.310 9.962 262 H1 HOH 215 H1 HOH 130 -10.722 1.781 7.295 263 H2 HOH 215 H2 HOH 130 -11.984 2.487 7.757 264 H1 HOH 216 H1 HOH 151 3.527 -8.094 -11.595 265 H2 HOH 216 H2 HOH 151 4.143 -7.239 -12.685 266 H1 HOH 217 H1 HOH 183 -5.937 4.911 8.594 267 H2 HOH 217 H2 HOH 183 -6.976 4.517 7.563 268 H1 HOH 218 H1 HOH 41 1.471 -6.102 4.674 269 H2 HOH 218 H2 HOH 41 1.459 -7.135 3.562 270 H1 HOH 219 H1 HOH 35 -0.306 -5.958 0.861 271 H2 HOH 219 H2 HOH 35 -1.368 -6.568 1.748 272 H1 HOH 220 H1 HOH 29 -2.975 -15.136 -5.807 273 H2 HOH 220 H2 HOH 29 -2.169 -14.139 -4.992 274 H1 HOH 221 H1 HOH 120 -14.701 1.994 -1.238 275 H2 HOH 221 H2 HOH 120 -13.855 1.059 -2.078 276 H1 HOH 222 H1 HOH 56 4.464 -3.551 5.924 277 H2 HOH 222 H2 HOH 56 5.768 -4.311 5.835 278 H1 HOH 223 H1 HOH 85 -1.649 2.892 9.194 279 H2 HOH 223 H2 HOH 85 -2.284 2.236 10.399 280 H1 HOH 224 H1 HOH 138 -8.770 9.341 7.021 281 H2 HOH 224 H2 HOH 138 -8.668 8.143 7.942 282 H1 HOH 225 H1 HOH 137 -10.447 5.535 9.497 283 H2 HOH 225 H2 HOH 137 -9.754 6.873 9.326 284 H1 HOH 226 H1 HOH 23 -7.470 -13.149 -8.690 285 H2 HOH 226 H2 HOH 23 -6.681 -13.996 -7.711 286 H1 HOH 227 H1 HOH 99 15.653 -3.422 -0.160 287 H2 HOH 227 H2 HOH 99 16.321 -2.649 0.959 288 H1 HOH 228 H1 HOH 126 -18.119 -1.411 0.625 289 H2 HOH 228 H2 HOH 126 -17.049 -1.477 1.700 290 H1 HOH 229 H1 HOH 123 -14.980 -2.791 -4.173 291 H2 HOH 229 H2 HOH 123 -16.491 -2.861 -4.270 292 H1 HOH 230 H1 HOH 145 -10.414 -6.780 -7.897 293 H2 HOH 230 H2 HOH 145 -11.628 -7.632 -7.578 294 H1 HOH 231 H1 HOH 149 -1.594 -10.211 -11.233 295 H2 HOH 231 H2 HOH 149 -2.952 -9.593 -11.506 296 H1 HOH 232 H1 HOH 22 -0.220 -11.608 -10.389 297 H2 HOH 232 H2 HOH 22 0.475 -11.493 -9.052 298 H1 HOH 233 H1 HOH 158 0.730 5.182 0.397 299 H2 HOH 233 H2 HOH 158 -0.465 5.966 0.897 300 H1 HOH 234 H1 HOH 36 0.714 -2.634 -1.062 301 H2 HOH 234 H2 HOH 36 1.306 -1.535 -0.209 302 H1 HOH 235 H1 HOH 70 7.586 -5.736 3.705 303 H2 HOH 235 H2 HOH 70 7.336 -6.752 4.803 304 H1 HOH 236 H1 HOH 127 -13.627 2.195 5.285 305 H2 HOH 236 H2 HOH 127 -13.889 3.015 6.532 306 H1 HOH 237 H1 HOH 37 6.076 -2.719 4.261 307 H2 HOH 237 H2 HOH 37 6.713 -1.478 3.667 308 H1 HOH 238 H1 HOH 4 -11.856 -11.705 -4.107 309 H2 HOH 238 H2 HOH 4 -12.623 -10.964 -5.182 310 H1 HOH 239 H1 HOH 186 10.813 -6.393 -14.312 311 H2 HOH 239 H2 HOH 186 10.096 -5.343 -13.482 312 H1 HOH 240 H1 HOH 86 11.795 4.210 6.134 313 H2 HOH 240 H2 HOH 86 11.039 3.148 5.361 314 H1 HOH 241 H1 HOH 148 4.373 -6.200 -14.825 315 H2 HOH 241 H2 HOH 148 3.215 -5.454 -14.196 316 H1 HOH 242 H1 HOH 101 11.196 -8.070 -9.482 317 H2 HOH 242 H2 HOH 101 9.716 -8.153 -9.171 318 H1 HOH 243 H1 HOH 185 8.001 -4.552 -15.714 319 H2 HOH 243 H2 HOH 185 8.509 -5.764 -14.963 320 H1 HOH 244 H1 HOH 24 -0.501 -15.351 -9.552 321 H2 HOH 244 H2 HOH 24 -0.790 -13.930 -9.121 322 H1 HOH 245 H1 HOH 93 16.771 -4.657 -2.004 323 H2 HOH 245 H2 HOH 93 15.274 -4.853 -1.874 324 H1 HOH 246 H1 HOH 96 10.030 -4.035 -1.907 325 H2 HOH 246 H2 HOH 96 9.368 -4.162 -0.551 326 H1 HOH 247 H1 HOH 113 -14.619 7.825 4.716 327 H2 HOH 247 H2 HOH 113 -14.830 7.649 6.204 328 H1 HOH 248 H1 HOH 198 10.409 -4.282 -11.450 329 H2 HOH 248 H2 HOH 198 9.869 -3.173 -12.330 330 H1 HOH 249 H1 HOH 193 10.804 -4.442 -8.974 331 H2 HOH 249 H2 HOH 193 10.593 -5.794 -9.625 332 H1 HOH 250 H1 HOH 155 2.098 3.120 -6.292 333 H2 HOH 250 H2 HOH 155 1.675 4.491 -5.810 334 H1 HOH 251 H1 HOH 87 5.611 -9.606 -10.096 335 H2 HOH 251 H2 HOH 87 5.797 -8.466 -11.073 336 H1 HOH 252 H1 HOH 128 -13.508 -0.333 5.193 337 H2 HOH 252 H2 HOH 128 -12.257 0.331 5.727 338 H1 HOH 253 H1 HOH 141 -4.910 -5.188 -12.475 339 H2 HOH 253 H2 HOH 141 -5.515 -6.055 -11.392 340 H1 HOH 254 H1 HOH 176 2.260 1.863 -15.688 341 H2 HOH 254 H2 HOH 176 2.725 0.782 -14.735 342 H1 HOH 255 H1 HOH 30 2.853 -10.061 -5.605 343 H2 HOH 255 H2 HOH 30 2.641 -10.713 -6.956 344 H1 HOH 256 H1 HOH 32 -3.472 -11.649 -11.427 345 H2 HOH 256 H2 HOH 32 -3.923 -13.042 -11.813 346 H1 HOH 257 H1 HOH 53 -0.659 -4.888 5.181 347 H2 HOH 257 H2 HOH 53 -0.798 -4.872 3.673 348 H1 HOH 258 H1 HOH 68 6.796 -7.718 -6.696 349 H2 HOH 258 H2 HOH 68 7.901 -7.916 -7.711 350 H1 HOH 259 H1 HOH 117 -15.017 5.672 4.371 351 H2 HOH 259 H2 HOH 117 -14.718 4.191 4.471 352 H1 HOH 260 H1 HOH 31 -6.431 -16.417 -7.510 353 H2 HOH 260 H2 HOH 31 -5.042 -15.836 -7.365 354 H1 HOH 261 H1 HOH 124 -17.292 -3.569 0.453 355 H2 HOH 261 H2 HOH 124 -17.975 -4.919 0.532 356 H1 HOH 262 H1 HOH 111 -13.303 -9.636 -7.037 357 H2 HOH 262 H2 HOH 111 -13.575 -8.970 -8.368 358 H1 HOH 263 H1 HOH 161 -6.918 3.726 1.120 359 H2 HOH 263 H2 HOH 161 -7.849 2.886 0.270 360 H1 HOH 264 H1 HOH 97 8.445 -10.178 -8.690 361 H2 HOH 264 H2 HOH 97 7.671 -9.125 -9.458 362 H1 HOH 265 H1 HOH 90 14.865 -2.293 -5.169 363 H2 HOH 265 H2 HOH 90 15.180 -3.377 -6.176 364 H1 HOH 266 H1 HOH 199 8.408 8.202 -2.695 365 H2 HOH 266 H2 HOH 199 8.375 9.712 -2.776 366 H1 HOH 267 H1 HOH 156 1.199 7.122 -2.000 367 H2 HOH 267 H2 HOH 156 0.147 6.157 -1.486 368 H1 HOH 268 H1 HOH 153 -3.407 3.790 -6.003 369 H2 HOH 268 H2 HOH 153 -3.203 4.556 -4.712 370 H1 HOH 269 H1 HOH 42 -2.399 -6.206 4.593 371 H2 HOH 269 H2 HOH 42 -3.150 -7.239 5.405 372 H1 HOH 270 H1 HOH 197 14.836 5.961 -2.055 373 H2 HOH 270 H2 HOH 197 15.606 4.657 -1.990 374 H1 HOH 271 H1 HOH 25 -0.529 -12.572 -4.422 375 H2 HOH 271 H2 HOH 25 0.117 -13.887 -4.047 376 H1 HOH 272 H1 HOH 139 -1.035 -2.578 -14.632 377 H2 HOH 272 H2 HOH 139 -0.749 -1.536 -13.572 378 H1 HOH 273 H1 HOH 16 -14.683 3.146 8.449 379 H2 HOH 273 H2 HOH 16 -13.358 2.821 9.101 380 H1 HOH 274 H1 HOH 2 -13.205 -10.257 0.189 381 H2 HOH 274 H2 HOH 2 -12.509 -11.290 -0.670 382 H1 HOH 275 H1 HOH 195 13.428 2.417 -2.622 383 H2 HOH 275 H2 HOH 195 13.903 3.452 -1.627 384 H1 HOH 276 H1 HOH 184 5.462 -6.567 -17.153 385 H2 HOH 276 H2 HOH 184 6.191 -5.975 -15.964 386 H1 HOH 277 H1 HOH 6 -11.824 -4.996 1.779 387 H2 HOH 277 H2 HOH 6 -13.323 -5.007 1.980 388 H1 HOH 278 H1 HOH 34 -10.447 -11.285 -5.990 389 H2 HOH 278 H2 HOH 34 -9.240 -12.053 -6.489 390 H1 HOH 279 H1 HOH 102 13.330 -4.284 -4.867 391 H2 HOH 279 H2 HOH 102 11.858 -4.603 -4.693 392 H1 HOH 280 H1 HOH 172 -10.529 3.452 -3.813 393 H2 HOH 280 H2 HOH 172 -9.593 2.310 -4.148 394 H1 HOH 281 H1 HOH 48 7.301 -7.407 2.457 395 H2 HOH 281 H2 HOH 48 7.724 -8.619 1.651 396 H1 HOH 282 H1 HOH 136 -7.541 6.543 8.896 397 H2 HOH 282 H2 HOH 136 -7.392 7.503 10.057 398 H1 HOH 283 H1 HOH 110 -15.074 -11.071 -5.870 399 H2 HOH 283 H2 HOH 110 -14.463 -10.329 -4.699 400 H1 HOH 284 H1 HOH 190 13.968 3.359 -4.585 401 H2 HOH 284 H2 HOH 190 12.495 3.155 -4.862 402 H1 HOH 285 H1 HOH 112 -15.494 -4.848 0.546 403 H2 HOH 285 H2 HOH 112 -14.435 -5.930 0.499 404 H1 HOH 286 H1 HOH 142 -9.255 -5.832 -10.003 405 H2 HOH 286 H2 HOH 142 -8.986 -7.287 -9.678 406 H1 HOH 287 H1 HOH 168 -6.557 -0.083 -7.038 407 H2 HOH 287 H2 HOH 168 -7.562 0.111 -8.151 408 H1 HOH 288 H1 HOH 135 -14.114 9.196 7.950 409 H2 HOH 288 H2 HOH 135 -15.603 9.407 7.784 410 H1 HOH 289 H1 HOH 144 -6.797 -8.122 -10.934 411 H2 HOH 289 H2 HOH 144 -5.531 -8.410 -11.721 412 H1 HOH 290 H1 HOH 26 -2.704 -17.309 -7.080 413 H2 HOH 290 H2 HOH 26 -2.403 -16.022 -7.821 414 H1 HOH 291 H1 HOH 131 -12.882 -1.321 -5.132 415 H2 HOH 291 H2 HOH 131 -13.340 -2.673 -5.646 416 H1 HOH 292 H1 HOH 71 9.399 -4.114 3.227 417 H2 HOH 292 H2 HOH 71 7.967 -3.613 3.232 418 H1 HOH 293 H1 HOH 122 -19.127 0.552 -0.126 419 H2 HOH 293 H2 HOH 122 -20.274 -0.434 -0.071 420 H1 HOH 294 H1 HOH 55 1.344 -4.835 6.725 421 H2 HOH 294 H2 HOH 55 0.373 -5.994 6.828 422 H1 HOH 295 H1 HOH 65 7.304 1.954 7.664 423 H2 HOH 295 H2 HOH 65 8.246 0.790 7.875 424 H1 HOH 296 H1 HOH 129 -9.381 3.255 10.141 425 H2 HOH 296 H2 HOH 129 -10.293 3.455 8.947 426 H1 HOH 297 H1 HOH 114 -16.739 -5.185 -1.465 427 H2 HOH 297 H2 HOH 114 -16.206 -4.815 -2.835 428 H1 HOH 298 H1 HOH 178 6.837 8.597 3.754 429 H2 HOH 298 H2 HOH 178 6.865 9.799 4.671 430 H1 HOH 299 H1 HOH 132 -11.632 1.469 -2.968 431 H2 HOH 299 H2 HOH 132 -12.186 0.241 -3.657 432 H1 HOH 300 H1 HOH 88 13.601 -5.579 -3.122 433 H2 HOH 300 H2 HOH 88 13.818 -6.882 -2.385 434 H1 HOH 301 H1 HOH 3 -14.119 -10.397 -2.193 435 H2 HOH 301 H2 HOH 3 -15.281 -9.492 -2.549 436 H1 HOH 302 H1 HOH 100 9.909 -3.465 -5.749 437 H2 HOH 302 H2 HOH 100 9.478 -4.665 -4.941 438 H1 HOH 303 H1 HOH 89 15.535 1.829 0.714 439 H2 HOH 303 H2 HOH 89 15.058 1.947 -0.722 440 H1 HOH 304 H1 HOH 28 -3.491 -13.361 -3.245 441 H2 HOH 304 H2 HOH 28 -3.241 -12.815 -1.853 442 H1 HOH 305 H1 HOH 60 0.882 -11.003 -5.139 443 H2 HOH 305 H2 HOH 60 0.370 -10.218 -3.950 444 H1 HOH 306 H1 HOH 165 1.399 5.892 -3.745 445 H2 HOH 306 H2 HOH 165 2.333 6.340 -4.854 446 H1 HOH 307 H1 HOH 191 8.036 -0.942 -9.655 447 H2 HOH 307 H2 HOH 191 9.197 -1.704 -10.248 448 H1 HOH 308 H1 HOH 116 -17.557 -1.163 -5.135 449 H2 HOH 308 H2 HOH 116 -18.668 -2.156 -5.412 450 H1 HOH 309 H1 HOH 140 -4.635 -9.555 -13.694 451 H2 HOH 309 H2 HOH 140 -4.668 -10.524 -12.531 452 H1 HOH 310 H1 HOH 9 -9.937 -5.651 6.940 453 H2 HOH 310 H2 HOH 9 -8.944 -6.644 7.505 454 H1 HOH 311 H1 HOH 157 2.742 8.792 -2.441 455 H2 HOH 311 H2 HOH 157 3.174 8.516 -1.018 456 H1 HOH 312 H1 HOH 147 -3.224 -0.608 -12.344 457 H2 HOH 312 H2 HOH 147 -2.816 -1.973 -12.851 458 H1 HOH 313 H1 HOH 49 3.169 -7.831 -5.640 459 H2 HOH 313 H2 HOH 49 4.298 -8.113 -4.672 460 H1 HOH 314 H1 HOH 21 -11.442 -13.088 0.456 461 H2 HOH 314 H2 HOH 21 -10.360 -12.685 -0.523 462 H1 HOH 315 H1 HOH 17 -8.356 1.078 10.782 463 H2 HOH 315 H2 HOH 17 -7.631 2.261 11.391 464 H1 HOH 316 H1 HOH 159 -10.851 -0.525 -6.086 465 H2 HOH 316 H2 HOH 159 -10.890 0.732 -5.250 466 H1 HOH 317 H1 HOH 173 5.695 3.713 -9.206 467 H2 HOH 317 H2 HOH 173 5.488 2.226 -9.401 468 H1 HOH 318 H1 HOH 180 7.770 7.901 5.758 469 H2 HOH 318 H2 HOH 180 8.718 7.984 6.935 470 H1 HOH 319 H1 HOH 10 -7.124 -3.505 10.094 471 H2 HOH 319 H2 HOH 10 -6.455 -3.408 11.448 472 H1 HOH 320 H1 HOH 160 -5.427 6.052 3.279 473 H2 HOH 320 H2 HOH 160 -4.979 4.668 2.864 474 H1 HOH 321 H1 HOH 189 8.593 2.838 -7.289 475 H2 HOH 321 H2 HOH 189 7.313 2.278 -7.878 476 H1 HOH 322 H1 HOH 152 -9.986 -10.284 -8.061 477 H2 HOH 322 H2 HOH 152 -11.217 -9.556 -8.552 478 H1 HOH 323 H1 HOH 115 -17.545 1.288 -5.439 479 H2 HOH 323 H2 HOH 115 -16.190 0.776 -5.005 480 H1 HOH 324 H1 HOH 125 -16.286 0.404 3.132 481 H2 HOH 324 H2 HOH 125 -17.011 -0.651 3.937 482 H1 HOH 325 H1 HOH 103 15.002 -1.833 2.050 483 H2 HOH 325 H2 HOH 103 16.146 -1.530 2.992 484 H1 HOH 326 H1 HOH 167 -1.767 3.593 -7.930 485 H2 HOH 326 H2 HOH 167 -3.266 3.516 -8.134 486 H1 HOH 327 H1 HOH 40 -2.678 -8.521 1.785 487 H2 HOH 327 H2 HOH 40 -2.276 -7.944 3.132 488 H1 HOH 328 H1 HOH 5 -11.949 -12.769 -2.041 489 H2 HOH 328 H2 HOH 5 -13.301 -13.090 -2.640 490 H1 HOH 329 H1 HOH 51 0.942 -9.496 2.499 491 H2 HOH 329 H2 HOH 51 -0.146 -8.443 2.535 492 H1 HOH 330 H1 HOH 78 8.291 5.500 6.710 493 H2 HOH 330 H2 HOH 78 9.222 4.313 6.565 494 H1 HOH 331 H1 HOH 106 19.509 5.208 1.937 495 H2 HOH 331 H2 HOH 106 18.155 5.829 2.213 496 H1 HOH 332 H1 HOH 196 8.290 -1.205 -12.015 497 H2 HOH 332 H2 HOH 196 9.565 -0.906 -12.780 498 H1 HOH 333 H1 HOH 12 -12.600 3.150 11.581 499 H2 HOH 333 H2 HOH 12 -11.728 3.509 10.395 500 H1 HOH 334 H1 HOH 66 7.532 -4.468 -5.717 501 H2 HOH 334 H2 HOH 66 7.742 -5.940 -6.010 502 H1 HOH 335 H1 HOH 121 -15.806 4.619 9.744 503 H2 HOH 335 H2 HOH 121 -16.924 4.305 8.773 504 H1 HOH 336 H1 HOH 91 11.737 -3.221 3.657 505 H2 HOH 336 H2 HOH 91 11.651 -4.429 2.751 506 H1 HOH 337 H1 HOH 98 15.226 0.498 2.749 507 H2 HOH 337 H2 HOH 98 16.461 1.372 2.714 508 H1 HOH 338 H1 HOH 38 6.504 -7.842 -3.727 509 H2 HOH 338 H2 HOH 38 6.454 -6.593 -4.579 510 H1 HOH 339 H1 HOH 108 13.340 5.840 6.121 511 H2 HOH 339 H2 HOH 108 14.089 5.039 7.163 512 H1 HOH 340 H1 HOH 64 6.009 -0.251 8.049 513 H2 HOH 340 H2 HOH 64 5.070 -0.840 9.086 514 H1 HOH 341 H1 HOH 188 8.921 -2.218 -7.790 515 H2 HOH 341 H2 HOH 188 8.702 -1.665 -6.396 516 H1 HOH 342 H1 HOH 7 -11.172 -8.188 3.807 517 H2 HOH 342 H2 HOH 7 -9.898 -8.708 3.177 518 H1 HOH 343 H1 HOH 27 -8.682 -13.771 0.341 519 H2 HOH 343 H2 HOH 27 -7.855 -13.405 -0.874 520 H1 HOH 344 H1 HOH 164 -1.312 0.500 -12.813 521 H2 HOH 344 H2 HOH 164 -2.167 1.739 -12.969 522 H1 HOH 345 H1 HOH 52 0.119 -7.708 -0.350 523 H2 HOH 345 H2 HOH 52 1.042 -7.739 0.852 524 H1 HOH 346 H1 HOH 94 13.398 -2.372 5.238 525 H2 HOH 346 H2 HOH 94 13.874 -1.989 3.854 526 H1 HOH 347 H1 HOH 76 1.392 3.877 9.509 527 H2 HOH 347 H2 HOH 76 0.284 3.327 10.383 528 H1 HOH 348 H1 HOH 169 -8.100 1.372 -6.068 529 H2 HOH 348 H2 HOH 169 -7.789 2.753 -5.524 530 H1 HOH 349 H1 HOH 8 -11.683 -6.193 5.286 531 H2 HOH 349 H2 HOH 8 -12.009 -6.079 3.807 532 H1 HOH 350 H1 HOH 47 8.763 -5.035 1.456 533 H2 HOH 350 H2 HOH 47 8.417 -6.300 0.697 534 H1 HOH 351 H1 HOH 19 -7.824 -1.378 10.988 535 H2 HOH 351 H2 HOH 19 -9.008 -0.953 11.827 536 H1 HOH 352 H1 HOH 11 -14.892 -8.077 -0.377 537 H2 HOH 352 H2 HOH 11 -13.909 -8.301 0.756 538 H1 HOH 353 H1 HOH 134 -12.367 -4.498 -7.243 539 H2 HOH 353 H2 HOH 134 -13.850 -4.382 -6.957 540 H1 HOH 354 H1 HOH 119 -19.304 2.890 -0.813 541 H2 HOH 354 H2 HOH 119 -18.115 2.719 0.109 542 H1 HOH 355 H1 HOH 14 -12.225 -9.355 2.265 543 H2 HOH 355 H2 HOH 14 -13.608 -9.890 2.568 544 H1 HOH 356 H1 HOH 50 4.316 -2.215 7.587 545 H2 HOH 356 H2 HOH 50 3.508 -3.270 8.310 546 H1 HOH 357 H1 HOH 92 17.908 -1.108 1.435 547 H2 HOH 357 H2 HOH 92 18.631 -2.304 2.021 548 H1 HOH 358 H1 HOH 82 2.946 4.603 7.972 549 H2 HOH 358 H2 HOH 82 1.748 5.477 7.661 550 H1 HOH 359 H1 HOH 73 -0.627 1.593 11.356 551 H2 HOH 359 H2 HOH 73 -0.604 1.536 12.869 552 H1 HOH 360 H1 HOH 67 -4.773 -11.387 -2.250 553 H2 HOH 360 H2 HOH 67 -6.090 -10.644 -2.334 554 H1 HOH 361 H1 HOH 166 2.871 6.549 -7.322 555 H2 HOH 361 H2 HOH 166 2.289 5.192 -7.662 556 H1 HOH 362 H1 HOH 107 15.372 2.621 4.187 557 H2 HOH 362 H2 HOH 107 14.956 3.543 5.315 558 H1 HOH 363 H1 HOH 143 -8.710 -9.279 -11.286 559 H2 HOH 363 H2 HOH 143 -9.048 -9.195 -9.815 560 H1 HOH 364 H1 HOH 61 1.998 -8.721 -3.735 561 H2 HOH 364 H2 HOH 61 1.479 -8.314 -2.372 562 H1 HOH 365 H1 HOH 95 17.293 0.900 0.355 563 H2 HOH 365 H2 HOH 95 18.721 1.160 0.787 564 H1 HOH 366 H1 HOH 104 18.632 7.606 5.985 565 H2 HOH 366 H2 HOH 104 18.134 6.409 5.199 566 H1 HOH 367 H1 HOH 44 -2.041 -9.034 -0.682 567 H2 HOH 367 H2 HOH 44 -1.033 -9.027 -1.814 568 H1 HOH 368 H1 HOH 118 -15.462 4.323 2.221 569 H2 HOH 368 H2 HOH 118 -15.546 5.061 0.904 570 H1 HOH 369 H1 HOH 105 18.253 4.587 3.927 571 H2 HOH 369 H2 HOH 105 17.265 4.130 4.981 572 H1 HOH 370 H1 HOH 43 -4.174 -9.963 -0.748 573 H2 HOH 370 H2 HOH 43 -4.320 -9.866 0.754 574 H1 HOH 371 H1 HOH 163 4.046 5.367 -9.063 575 H2 HOH 371 H2 HOH 163 4.555 5.574 -10.474 576 H1 HOH 372 H1 HOH 109 -16.023 -5.295 -6.526 577 H2 HOH 372 H2 HOH 109 -15.821 -5.331 -8.025 578 H1 HOH 373 H1 HOH 174 3.551 8.369 -6.100 579 H2 HOH 373 H2 HOH 174 4.295 7.173 -5.548 580 H1 HOH 374 H1 HOH 1 -17.171 -8.470 -1.569 581 H2 HOH 374 H2 HOH 1 -16.287 -7.317 -1.999 582 H1 HOH 375 H1 HOH 154 -5.584 3.950 -5.497 583 H2 HOH 375 H2 HOH 154 -6.690 4.966 -5.679 584 H1 HOH 376 H1 HOH 13 -12.424 -5.712 7.452 585 H2 HOH 376 H2 HOH 13 -11.732 -4.400 7.155 586 H1 HOH 377 H1 HOH 192 11.430 5.256 -5.452 587 H2 HOH 377 H2 HOH 192 10.693 4.275 -6.337 588 H1 HOH 378 H1 HOH 177 5.391 7.707 5.825 589 H2 HOH 378 H2 HOH 177 6.390 6.921 6.643 590 H1 HOH 379 H1 HOH 187 9.423 4.794 -8.387 591 H2 HOH 379 H2 HOH 187 8.486 5.104 -7.242 592 H1 HOH 380 H1 HOH 80 -0.205 -2.806 13.100 593 H2 HOH 380 H2 HOH 80 -1.486 -2.124 13.533 594 H1 HOH 381 H1 HOH 57 1.280 -2.525 11.074 595 H2 HOH 381 H2 HOH 57 1.568 -1.573 12.216 596 H1 HOH 382 H1 HOH 162 7.583 10.399 -5.714 597 H2 HOH 382 H2 HOH 162 7.196 9.391 -4.655 598 H1 HOH 383 H1 HOH 59 1.886 -4.048 12.374 599 H2 HOH 383 H2 HOH 59 2.080 -5.491 12.789 600 H1 HOH 384 H1 HOH 84 4.842 5.716 7.447 601 H2 HOH 384 H2 HOH 84 5.511 4.459 7.963 602 H1 HOH 385 H1 HOH 170 -5.474 4.039 -8.879 603 H2 HOH 385 H2 HOH 170 -4.760 3.644 -10.154 604 H1 HOH 386 H1 HOH 69 -7.173 -10.310 6.513 605 H2 HOH 386 H2 HOH 69 -7.284 -11.633 5.788 606 H1 HOH 387 H1 HOH 62 3.850 -2.686 10.473 607 H2 HOH 387 H2 HOH 62 3.155 -4.003 10.761 608 H1 HOH 388 H1 HOH 58 -2.746 -11.371 -0.176 609 H2 HOH 388 H2 HOH 58 -1.430 -12.084 0.039 610 H1 HOH 389 H1 HOH 83 1.265 0.351 12.081 611 H2 HOH 389 H2 HOH 83 2.666 0.905 12.232 612 H1 HOH 390 H1 HOH 15 -9.177 -11.087 4.969 613 H2 HOH 390 H2 HOH 15 -10.313 -10.536 4.130 614 H1 HOH 391 H1 HOH 72 -8.876 -15.733 1.883 615 H2 HOH 391 H2 HOH 72 -9.439 -14.411 2.361 616 H1 HOH 392 H1 HOH 63 -1.417 -11.520 2.229 617 H2 HOH 392 H2 HOH 63 -1.257 -10.045 1.931 618 H1 HOH 393 H1 HOH 74 2.373 2.850 11.576 619 H2 HOH 393 H2 HOH 74 3.781 3.251 11.952 620 H1 HOH 394 H1 HOH 75 5.095 -0.267 11.334 621 H2 HOH 394 H2 HOH 75 3.613 -0.523 11.183 622 H1 HOH 395 H1 HOH 18 -11.231 -14.039 4.126 623 H2 HOH 395 H2 HOH 18 -10.277 -12.907 3.811 624 H1 HOH 396 H1 HOH 77 2.975 4.749 10.596 625 H2 HOH 396 H2 HOH 77 4.245 4.948 9.795 626 H1 HOH 397 H1 HOH 54 -3.207 -13.151 3.164 627 H2 HOH 397 H2 HOH 54 -3.000 -12.960 1.676 628 H1 HOH 398 H1 HOH 175 4.425 10.567 -7.156 629 H2 HOH 398 H2 HOH 175 5.304 9.784 -6.202 630 H1 HOH 399 H1 HOH 46 -6.262 -13.861 6.240 631 H2 HOH 399 H2 HOH 46 -7.243 -13.828 5.089 Start of MODEL 8 1 HA PRO 62 HA PRO 62 -10.307 -7.013 -4.077 2 HB2 PRO 62 HB2 PRO 62 -12.367 -6.567 -2.042 3 HB3 PRO 62 HB3 PRO 62 -12.120 -5.694 -3.575 4 HG2 PRO 62 HG2 PRO 62 -14.302 -7.358 -3.117 5 HG3 PRO 62 HG3 PRO 62 -13.590 -7.101 -4.740 6 HD2 PRO 62 HD2 PRO 62 -13.013 -9.330 -2.770 7 HD3 PRO 62 HD3 PRO 62 -13.403 -9.478 -4.498 8 H PHE 63 H PHE 63 -9.425 -5.988 -2.119 9 HA PHE 63 HA PHE 63 -9.038 -7.710 0.254 10 HB2 PHE 63 HB2 PHE 63 -7.359 -8.307 -1.550 11 HB3 PHE 63 HB3 PHE 63 -6.755 -6.663 -1.468 12 HD1 PHE 63 HD1 PHE 63 -7.640 -9.386 1.032 13 HD2 PHE 63 HD2 PHE 63 -4.673 -6.611 -0.400 14 HE1 PHE 63 HE1 PHE 63 -6.067 -10.146 2.787 15 HE2 PHE 63 HE2 PHE 63 -3.101 -7.379 1.366 16 HZ PHE 63 HZ PHE 63 -3.810 -9.147 2.968 17 H ALA 64 H ALA 64 -7.231 -6.297 1.679 18 HA ALA 64 HA ALA 64 -8.064 -3.438 1.637 19 HB1 ALA 64 HB1 ALA 64 -8.099 -5.234 4.099 20 HB2 ALA 64 HB2 ALA 64 -8.425 -3.484 4.066 21 HB3 ALA 64 HB3 ALA 64 -9.527 -4.604 3.250 22 H CYS 65 H CYS 65 -6.653 -2.033 2.880 23 HA CYS 65 HA CYS 65 -3.798 -2.898 2.914 24 HB2 CYS 65 HB2 CYS 65 -5.263 -0.270 3.168 25 HB3 CYS 65 HB3 CYS 65 -3.543 -0.440 3.609 26 H ASP 66 H ASP 66 -2.880 -3.585 4.699 27 HA ASP 66 HA ASP 66 -4.016 -3.568 7.271 28 HB2 ASP 66 HB2 ASP 66 -1.910 -4.779 6.049 29 HB3 ASP 66 HB3 ASP 66 -1.015 -3.541 6.911 30 H ILE 67 H ILE 67 -2.227 -1.099 5.664 31 HA ILE 67 HA ILE 67 -1.576 0.451 8.094 32 HB ILE 67 HB ILE 67 -0.926 0.814 5.142 33 HG12 ILE 67 2HG1 ILE 67 0.164 -1.174 6.022 34 HG13 ILE 67 3HG1 ILE 67 1.335 0.080 5.693 35 HG21 ILE 67 HG21 ILE 67 0.100 2.405 7.520 36 HG22 ILE 67 HG22 ILE 67 0.809 2.445 5.893 37 HG23 ILE 67 HG23 ILE 67 -0.843 3.005 6.149 38 HD11 ILE 67 1HD1 ILE 67 0.284 -0.607 8.478 39 HD12 ILE 67 2HD1 ILE 67 1.815 -1.135 7.789 40 HD13 ILE 67 3HD1 ILE 67 1.540 0.591 8.083 41 H CYS 68 H CYS 68 -3.349 1.063 5.044 42 HA CYS 68 HA CYS 68 -4.507 3.525 6.005 43 HB2 CYS 68 HB2 CYS 68 -4.969 1.744 3.580 44 HB3 CYS 68 HB3 CYS 68 -5.834 3.241 3.854 45 H GLY 69 H GLY 69 -5.498 0.142 6.201 46 HA2 GLY 69 HA2 GLY 69 -7.413 -0.915 6.897 47 HA3 GLY 69 HA3 GLY 69 -8.068 0.622 7.454 48 H ARG 70 H ARG 70 -7.239 1.159 4.315 49 HA ARG 70 HA ARG 70 -10.040 1.251 3.507 50 HB2 ARG 70 HB2 ARG 70 -7.496 2.147 2.084 51 HB3 ARG 70 HB3 ARG 70 -9.142 2.472 1.516 52 HG2 ARG 70 HG2 ARG 70 -9.654 3.724 3.563 53 HG3 ARG 70 HG3 ARG 70 -8.095 3.329 4.248 54 HD2 ARG 70 HD2 ARG 70 -6.980 4.600 2.373 55 HD3 ARG 70 HD3 ARG 70 -8.588 5.116 1.863 56 HE ARG 70 HE ARG 70 -8.901 6.277 3.917 57 HH11 ARG 70 1HH1 ARG 70 -5.509 5.102 3.812 58 HH12 ARG 70 2HH1 ARG 70 -5.158 5.981 5.249 59 HH21 ARG 70 1HH2 ARG 70 -8.197 7.443 5.635 60 HH22 ARG 70 2HH2 ARG 70 -6.621 7.163 6.287 61 H LYS 71 H LYS 71 -11.028 0.355 1.745 62 HA LYS 71 HA LYS 71 -10.217 -2.368 1.016 63 HB2 LYS 71 HB2 LYS 71 -12.525 -0.592 0.139 64 HB3 LYS 71 HB3 LYS 71 -12.344 -2.287 -0.319 65 HG2 LYS 71 HG2 LYS 71 -12.595 -3.024 1.968 66 HG3 LYS 71 HG3 LYS 71 -12.507 -1.374 2.588 67 HD2 LYS 71 HD2 LYS 71 -14.797 -2.190 2.602 68 HD3 LYS 71 HD3 LYS 71 -14.627 -0.783 1.558 69 HE2 LYS 71 HE2 LYS 71 -14.816 -2.056 -0.431 70 HE3 LYS 71 HE3 LYS 71 -14.491 -3.588 0.411 71 HZ1 LYS 71 HZ1 LYS 71 -16.599 -3.400 1.524 72 HZ2 LYS 71 HZ2 LYS 71 -16.924 -1.938 0.839 73 HZ3 LYS 71 HZ3 LYS 71 -16.883 -3.285 -0.081 74 H PHE 72 H PHE 72 -9.733 -3.153 -1.038 75 HA PHE 72 HA PHE 72 -9.556 -1.328 -3.345 76 HB2 PHE 72 HB2 PHE 72 -7.407 -1.193 -1.872 77 HB3 PHE 72 HB3 PHE 72 -7.082 -2.835 -2.414 78 HD1 PHE 72 HD1 PHE 72 -5.677 -3.027 -4.347 79 HD2 PHE 72 HD2 PHE 72 -8.053 0.537 -3.792 80 HE1 PHE 72 HE1 PHE 72 -4.658 -2.016 -6.367 81 HE2 PHE 72 HE2 PHE 72 -7.025 1.530 -5.823 82 HZ PHE 72 HZ PHE 72 -5.320 0.253 -7.105 83 H ALA 73 H ALA 73 -8.795 -2.511 -5.312 84 HA ALA 73 HA ALA 73 -9.736 -5.230 -5.670 85 HB1 ALA 73 HB1 ALA 73 -9.809 -3.626 -7.481 86 HB2 ALA 73 HB2 ALA 73 -8.064 -3.332 -7.377 87 HB3 ALA 73 HB3 ALA 73 -8.673 -4.904 -7.926 88 H ARG 74 H ARG 74 -6.614 -4.776 -6.986 89 HA ARG 74 HA ARG 74 -5.035 -5.811 -4.758 90 HB2 ARG 74 HB2 ARG 74 -5.832 -7.932 -5.504 91 HB3 ARG 74 HB3 ARG 74 -5.609 -7.517 -7.197 92 HG2 ARG 74 HG2 ARG 74 -3.131 -7.508 -6.862 93 HG3 ARG 74 HG3 ARG 74 -3.367 -7.961 -5.163 94 HD2 ARG 74 HD2 ARG 74 -4.377 -10.096 -5.851 95 HD3 ARG 74 HD3 ARG 74 -4.417 -9.551 -7.535 96 HE ARG 74 HE ARG 74 -2.487 -10.733 -7.622 97 HH11 ARG 74 1HH1 ARG 74 -2.814 -11.686 -5.072 98 HH12 ARG 74 2HH1 ARG 74 -1.151 -11.733 -4.568 99 HH21 ARG 74 1HH2 ARG 74 -0.146 -9.540 -7.032 100 HH22 ARG 74 2HH2 ARG 74 0.318 -10.766 -5.925 101 H SER 75 H SER 75 -4.626 -5.836 -8.268 102 HA SER 75 HA SER 75 -3.304 -4.824 -9.730 103 HB2 SER 75 HB2 SER 75 -2.839 -2.602 -7.730 104 HB3 SER 75 HB3 SER 75 -2.337 -2.615 -9.427 105 HG SER 75 HG SER 75 -4.332 -1.570 -9.217 106 H1 OUD 76 H OUD 76 -1.249 -4.932 -10.441 107 HA OUD 76 HA OUD 76 0.863 -5.842 -8.580 108 HB3 OUD 76 HB3 OUD 76 -0.813 -7.729 -9.299 109 HB2 OUD 76 HB2 OUD 76 -0.040 -7.651 -10.870 110 HM3 OUD 76 HM3 OUD 76 2.403 -5.696 -10.368 111 HM2 OUD 76 HM2 OUD 76 1.141 -5.792 -11.603 112 HN2 OUD 76 HN2 OUD 76 1.000 -3.530 -11.613 113 H OUE 77 H OUE 77 0.708 -1.484 -10.725 114 HA OUE 77 HA OUE 77 2.120 -0.930 -8.289 115 HB3 OUE 77 HB3 OUE 77 0.336 1.138 -9.588 116 HB2 OUE 77 HB2 OUE 77 1.822 1.336 -8.695 117 HG3 OUE 77 HG3 OUE 77 2.435 1.807 -10.917 118 HG2 OUE 77 HG2 OUE 77 3.050 0.189 -10.681 119 HM2 OUE 77 HM2 OUE 77 -0.904 -0.498 -8.267 120 HM3 OUE 77 HM3 OUE 77 0.234 0.112 -7.056 121 HN2 OUE 77 HN2 OUE 77 0.011 -2.815 -7.569 122 H1 OUK 78 H OUK 78 -1.075 -4.002 -5.945 123 HA OUK 78 HA OUK 78 0.415 -3.172 -3.490 124 HB2 OUK 78 HB2 OUK 78 -0.561 -5.276 -2.460 125 HB3 OUK 78 HB3 OUK 78 -1.578 -5.460 -3.887 126 HG2 OUK 78 HG2 OUK 78 -2.562 -3.123 -3.335 127 HG3 OUK 78 HG3 OUK 78 -1.661 -3.197 -1.822 128 HD2 OUK 78 HD2 OUK 78 -2.873 -5.429 -1.345 129 HD3 OUK 78 HD3 OUK 78 -3.821 -5.144 -2.798 130 HE2 OUK 78 HE2 OUK 78 -5.236 -4.283 -1.097 131 HE3 OUK 78 HE3 OUK 78 -4.421 -2.823 -1.694 132 HZ3 OUK 78 HZ3 OUK 78 -4.361 -2.696 0.634 133 HZ1 OUK 78 HZ1 OUK 78 -2.828 -3.182 0.253 134 HZ2 OUK 78 HZ2 OUK 78 -3.936 -4.292 0.851 135 HM3 OUK 78 HM3 OUK 78 1.602 -5.299 -3.673 136 HM2 OUK 78 HM2 OUK 78 0.588 -5.799 -5.035 137 HN2 OUK 78 HN2 OUK 78 1.688 -4.302 -6.466 138 H OUR 79 H OUR 79 3.293 -3.099 -7.146 139 HA OUR 79 HA OUR 79 5.271 -2.085 -5.143 140 HB3 OUR 79 HB3 OUR 79 5.657 -2.573 -8.148 141 HB2 OUR 79 HB2 OUR 79 6.850 -1.838 -7.074 142 HG3 OUR 79 HG3 OUR 79 7.054 -3.932 -5.780 143 HG2 OUR 79 HG2 OUR 79 5.779 -4.699 -6.725 144 HD3 OUR 79 HD3 OUR 79 7.097 -4.545 -8.793 145 HD2 OUR 79 HD2 OUR 79 8.378 -3.628 -7.940 146 HE OUR 79 HE OUR 79 7.921 -6.075 -6.576 147 HH12 OUR 79 2HH1 OUR 79 11.157 -7.025 -7.968 148 HH11 OUR 79 1HH1 OUR 79 10.495 -6.545 -6.455 149 HH22 OUR 79 2HH2 OUR 79 8.255 -6.605 -9.892 150 HM2 OUR 79 HM2 OUR 79 4.291 -0.625 -7.643 151 HM3 OUR 79 HM3 OUR 79 5.295 0.022 -6.336 152 HN2 OUR 79 HN2 OUR 79 2.379 -0.605 -6.214 153 HH21 OUR 79 1HH2 OUR 79 9.969 -6.772 -9.945 154 H OUH 80 H OUH 80 1.147 0.789 -5.168 155 HA OUH 80 HA OUH 80 2.444 2.096 -2.828 156 HB2 OUH 80 HB2 OUH 80 0.249 3.030 -4.437 157 HB3 OUH 80 HB3 OUH 80 1.010 3.775 -3.059 158 HD2 OUH 80 HD2 OUH 80 -0.294 3.720 -0.727 159 HD1 OUH 80 HD1 OUH 80 -2.048 1.437 -3.810 160 HE1 OUH 80 HE1 OUH 80 -3.614 1.545 -1.750 161 HM2 OUH 80 HM2 OUH 80 0.093 0.153 -2.770 162 HM3 OUH 80 HM3 OUH 80 0.914 0.877 -1.376 163 HN2 OUH 80 HN2 OUH 80 2.005 -1.168 -3.235 164 H1 OUK 81 H OUK 81 3.770 -2.302 -2.628 165 HA OUK 81 HA OUK 81 5.046 -1.530 -0.039 166 HB2 OUK 81 HB2 OUK 81 6.122 -3.749 -0.075 167 HB3 OUK 81 HB3 OUK 81 5.380 -4.118 -1.625 168 HG2 OUK 81 HG2 OUK 81 3.088 -3.970 -0.523 169 HG3 OUK 81 HG3 OUK 81 3.890 -3.720 1.030 170 HD2 OUK 81 HD2 OUK 81 5.027 -5.938 0.789 171 HD3 OUK 81 HD3 OUK 81 4.336 -6.134 -0.811 172 HE2 OUK 81 HE2 OUK 81 2.955 -7.462 0.563 173 HE3 OUK 81 HE3 OUK 81 1.993 -5.994 0.321 174 HZ3 OUK 81 HZ3 OUK 81 2.608 -5.314 2.560 175 HZ1 OUK 81 HZ1 OUK 81 3.613 -6.641 2.735 176 HZ2 OUK 81 HZ2 OUK 81 1.963 -6.852 2.605 177 HM3 OUK 81 HM3 OUK 81 7.223 -1.624 -1.083 178 HM2 OUK 81 HM2 OUK 81 6.550 -2.264 -2.587 179 HN2 OUK 81 HN2 OUK 81 5.628 -0.133 -3.118 180 H OUI 82 H OUI 82 5.712 2.048 -3.144 181 HA OUI 82 HA OUI 82 6.735 3.363 -0.681 182 HB OUI 82 HB OUI 82 7.555 5.252 -1.896 183 3HG1 OUI 82 3HG1 OUI 82 6.636 3.883 -4.483 184 2HG1 OUI 82 2HG1 OUI 82 6.038 5.396 -3.810 185 1HG2 OUI 82 1HG2 OUI 82 8.751 2.808 -3.295 186 2HG2 OUI 82 2HG2 OUI 82 8.992 3.144 -1.577 187 3HG2 OUI 82 3HG2 OUI 82 9.568 4.294 -2.784 188 2HD1 OUI 82 2HD1 OUI 82 8.821 4.946 -4.977 189 3HD1 OUI 82 3HD1 OUI 82 8.336 6.415 -4.103 190 1HD1 OUI 82 1HD1 OUI 82 7.526 5.960 -5.609 191 HM2 OUI 82 HM2 OUI 82 4.584 4.376 -2.590 192 HM3 OUI 82 HM3 OUI 82 5.077 5.098 -1.047 193 HN2 OUI 82 HN2 OUI 82 4.024 2.338 -1.203 194 H OUH 83 H OUH 83 3.886 1.489 0.668 195 HA OUH 83 HA OUH 83 3.067 3.113 3.011 196 HB2 OUH 83 HB2 OUH 83 3.026 0.993 4.232 197 HB3 OUH 83 HB3 OUH 83 3.711 0.134 2.869 198 HD2 OUH 83 HD2 OUH 83 0.841 2.728 2.327 199 HD1 OUH 83 HD1 OUH 83 1.498 -1.438 2.415 200 HE1 OUH 83 HE1 OUH 83 -0.842 -0.888 1.431 201 HM2 OUH 83 HM2 OUH 83 5.136 2.305 4.220 202 HM3 OUH 83 HM3 OUH 83 5.404 3.532 2.976 203 HN2 OUH 83 HN2 OUH 83 5.987 1.499 1.490 204 H ARG 84 H ARG 84 8.031 0.812 1.136 205 HA ARG 84 HA ARG 84 9.861 0.400 3.433 206 HB2 ARG 84 HB2 ARG 84 9.702 -1.182 1.508 207 HB3 ARG 84 HB3 ARG 84 10.335 0.072 0.432 208 HG2 ARG 84 HG2 ARG 84 12.478 0.075 1.605 209 HG3 ARG 84 HG3 ARG 84 11.800 -0.914 2.901 210 HD2 ARG 84 HD2 ARG 84 13.078 -2.412 1.678 211 HD3 ARG 84 HD3 ARG 84 11.445 -2.751 1.154 212 HE ARG 84 HE ARG 84 11.911 -1.444 -0.922 213 HH11 ARG 84 1HH1 ARG 84 15.002 -1.601 -2.427 214 HH12 ARG 84 2HH1 ARG 84 13.326 -1.221 -2.657 215 HH21 ARG 84 1HH2 ARG 84 15.789 -2.273 -0.548 216 HH22 ARG 84 2HH2 ARG 84 14.744 -2.610 0.811 217 H LYS 85 H LYS 85 9.096 2.916 1.319 218 HA LYS 85 HA LYS 85 11.116 4.780 2.329 219 HB2 LYS 85 HB2 LYS 85 10.710 4.184 -0.645 220 HB3 LYS 85 HB3 LYS 85 11.505 5.619 -0.039 221 HG2 LYS 85 HG2 LYS 85 13.370 4.380 0.798 222 HG3 LYS 85 HG3 LYS 85 12.568 2.830 0.502 223 HD2 LYS 85 HD2 LYS 85 14.280 3.387 -1.218 224 HD3 LYS 85 HD3 LYS 85 12.678 3.061 -1.858 225 HE2 LYS 85 HE2 LYS 85 13.799 4.902 -3.031 226 HE3 LYS 85 HE3 LYS 85 12.270 5.407 -2.314 227 HZ1 LYS 85 HZ1 LYS 85 13.387 6.617 -0.677 228 HZ2 LYS 85 HZ2 LYS 85 14.859 5.859 -0.948 229 HZ3 LYS 85 HZ3 LYS 85 14.232 6.931 -2.026 230 H ASP 86 H ASP 86 10.497 6.954 1.594 231 HA ASP 86 HA ASP 86 8.363 7.136 -0.298 232 HB2 ASP 86 HB2 ASP 86 7.113 7.612 1.790 233 HB3 ASP 86 HB3 ASP 86 8.211 8.948 2.143 234 H1 HOH 201 H1 HOH 194 12.766 9.378 -2.299 235 H2 HOH 201 H2 HOH 194 11.883 8.277 -1.750 236 H1 HOH 202 H1 HOH 184 9.286 12.076 -1.544 237 H2 HOH 202 H2 HOH 184 9.968 10.822 -1.033 238 H1 HOH 203 H1 HOH 71 1.727 -6.303 8.902 239 H2 HOH 203 H2 HOH 71 0.592 -5.667 8.132 240 H1 HOH 204 H1 HOH 168 -2.137 3.813 2.358 241 H2 HOH 204 H2 HOH 168 -1.027 4.229 1.410 242 H1 HOH 205 H1 HOH 189 10.136 10.561 1.560 243 H2 HOH 205 H2 HOH 189 9.784 11.961 2.020 244 H1 HOH 206 H1 HOH 72 -5.795 -4.434 9.310 245 H2 HOH 206 H2 HOH 72 -4.726 -5.201 8.559 246 H1 HOH 207 H1 HOH 56 -3.748 -6.787 11.046 247 H2 HOH 207 H2 HOH 56 -3.080 -5.776 10.136 248 H1 HOH 208 H1 HOH 126 -0.533 -2.073 -13.024 249 H2 HOH 208 H2 HOH 126 -0.807 -0.740 -12.356 250 H1 HOH 209 H1 HOH 165 5.583 7.859 -1.593 251 H2 HOH 209 H2 HOH 165 4.116 8.185 -1.732 252 H1 HOH 210 H1 HOH 146 1.477 -9.726 -12.313 253 H2 HOH 210 H2 HOH 146 2.069 -8.620 -11.468 254 H1 HOH 211 H1 HOH 144 -0.802 3.217 -12.602 255 H2 HOH 211 H2 HOH 144 -0.078 2.251 -11.694 256 H1 HOH 212 H1 HOH 15 -11.451 -0.393 7.885 257 H2 HOH 212 H2 HOH 15 -11.067 -0.686 6.449 258 H1 HOH 213 H1 HOH 129 -3.896 0.753 -10.033 259 H2 HOH 213 H2 HOH 129 -5.287 0.489 -9.490 260 H1 HOH 214 H1 HOH 76 -3.342 -0.841 11.480 261 H2 HOH 214 H2 HOH 76 -3.732 -0.898 10.017 262 H1 HOH 215 H1 HOH 24 2.321 -11.342 -7.811 263 H2 HOH 215 H2 HOH 24 2.407 -10.113 -8.688 264 H1 HOH 216 H1 HOH 108 -11.252 0.958 -1.857 265 H2 HOH 216 H2 HOH 108 -11.799 1.909 -2.903 266 H1 HOH 217 H1 HOH 179 3.062 0.902 -13.308 267 H2 HOH 217 H2 HOH 179 3.324 2.260 -13.928 268 H1 HOH 218 H1 HOH 6 -12.594 -10.036 0.166 269 H2 HOH 218 H2 HOH 6 -11.163 -9.726 -0.221 270 H1 HOH 219 H1 HOH 47 4.033 -8.701 -9.703 271 H2 HOH 219 H2 HOH 47 4.505 -10.050 -9.215 272 H1 HOH 220 H1 HOH 157 4.883 9.536 -0.596 273 H2 HOH 220 H2 HOH 157 3.867 10.158 0.328 274 H1 HOH 221 H1 HOH 138 0.628 0.267 -14.013 275 H2 HOH 221 H2 HOH 138 -0.769 -0.110 -14.455 276 H1 HOH 222 H1 HOH 67 -3.233 -7.206 7.613 277 H2 HOH 222 H2 HOH 67 -1.750 -7.458 7.702 278 H1 HOH 223 H1 HOH 153 -11.298 -9.325 -7.117 279 H2 HOH 223 H2 HOH 153 -9.934 -9.774 -6.614 280 H1 HOH 224 H1 HOH 110 -19.766 -3.691 0.517 281 H2 HOH 224 H2 HOH 110 -19.378 -3.589 -0.943 282 H1 HOH 225 H1 HOH 23 -4.721 -13.388 -5.073 283 H2 HOH 225 H2 HOH 23 -4.672 -12.532 -3.826 284 H1 HOH 226 H1 HOH 27 2.107 -12.804 -5.929 285 H2 HOH 226 H2 HOH 27 0.668 -13.019 -6.349 286 H1 HOH 227 H1 HOH 185 15.601 8.625 -2.854 287 H2 HOH 227 H2 HOH 185 15.933 7.631 -3.949 288 H1 HOH 228 H1 HOH 60 7.719 2.681 5.773 289 H2 HOH 228 H2 HOH 60 8.334 3.869 6.481 290 H1 HOH 229 H1 HOH 181 12.604 0.378 -4.334 291 H2 HOH 229 H2 HOH 181 11.446 -0.600 -4.271 292 H1 HOH 230 H1 HOH 32 -0.576 -14.103 -3.216 293 H2 HOH 230 H2 HOH 32 -0.520 -13.877 -4.713 294 H1 HOH 231 H1 HOH 74 -3.158 5.140 8.747 295 H2 HOH 231 H2 HOH 74 -3.999 3.999 8.225 296 H1 HOH 232 H1 HOH 44 1.241 -7.010 4.714 297 H2 HOH 232 H2 HOH 44 0.241 -8.121 4.451 298 H1 HOH 233 H1 HOH 106 -18.451 0.025 2.249 299 H2 HOH 233 H2 HOH 106 -18.048 -1.357 2.719 300 H1 HOH 234 H1 HOH 134 -9.631 -0.505 -6.830 301 H2 HOH 234 H2 HOH 134 -10.821 -1.346 -6.409 302 H1 HOH 235 H1 HOH 63 2.114 -3.303 3.597 303 H2 HOH 235 H2 HOH 63 1.450 -4.500 4.245 304 H1 HOH 236 H1 HOH 1 -16.267 -5.546 3.130 305 H2 HOH 236 H2 HOH 1 -15.416 -4.351 3.507 306 H1 HOH 237 H1 HOH 59 6.035 -7.402 2.509 307 H2 HOH 237 H2 HOH 59 5.062 -8.342 3.193 308 H1 HOH 238 H1 HOH 130 -4.170 -7.491 -10.388 309 H2 HOH 238 H2 HOH 130 -5.585 -7.654 -9.862 310 H1 HOH 239 H1 HOH 87 6.300 -7.041 -11.381 311 H2 HOH 239 H2 HOH 87 6.046 -8.078 -10.304 312 H1 HOH 240 H1 HOH 92 17.109 -1.222 -2.448 313 H2 HOH 240 H2 HOH 92 18.003 -1.120 -1.229 314 H1 HOH 241 H1 HOH 172 -5.758 7.553 8.225 315 H2 HOH 241 H2 HOH 172 -5.415 6.081 8.360 316 H1 HOH 242 H1 HOH 93 16.657 5.493 0.631 317 H2 HOH 242 H2 HOH 93 16.882 4.163 -0.060 318 H1 HOH 243 H1 HOH 182 12.649 -6.164 -10.124 319 H2 HOH 243 H2 HOH 182 12.357 -7.551 -10.651 320 H1 HOH 244 H1 HOH 36 7.313 -8.285 -6.460 321 H2 HOH 244 H2 HOH 36 6.191 -7.725 -5.608 322 H1 HOH 245 H1 HOH 159 -5.697 10.165 7.081 323 H2 HOH 245 H2 HOH 159 -6.997 9.467 6.746 324 H1 HOH 246 H1 HOH 120 -11.200 7.311 3.388 325 H2 HOH 246 H2 HOH 120 -10.886 6.857 4.799 326 H1 HOH 247 H1 HOH 96 16.486 -1.106 -4.696 327 H2 HOH 247 H2 HOH 96 16.117 0.235 -4.094 328 H1 HOH 248 H1 HOH 123 -9.457 9.131 6.232 329 H2 HOH 248 H2 HOH 123 -9.022 10.512 5.796 330 H1 HOH 249 H1 HOH 140 1.213 -3.711 -14.079 331 H2 HOH 249 H2 HOH 140 1.413 -2.283 -13.606 332 H1 HOH 250 H1 HOH 105 -17.143 0.144 0.111 333 H2 HOH 250 H2 HOH 105 -15.944 0.321 -0.800 334 H1 HOH 251 H1 HOH 112 -17.128 -5.062 -2.044 335 H2 HOH 251 H2 HOH 112 -16.167 -5.604 -1.008 336 H1 HOH 252 H1 HOH 34 -3.352 -11.792 -10.199 337 H2 HOH 252 H2 HOH 34 -1.970 -11.381 -9.743 338 H1 HOH 253 H1 HOH 125 -5.231 -2.134 -11.290 339 H2 HOH 253 H2 HOH 125 -4.820 -2.890 -12.535 340 H1 HOH 254 H1 HOH 131 -2.566 -4.665 -12.785 341 H2 HOH 254 H2 HOH 131 -1.162 -5.232 -12.841 342 H1 HOH 255 H1 HOH 122 -7.921 6.721 8.238 343 H2 HOH 255 H2 HOH 122 -9.044 6.531 9.235 344 H1 HOH 256 H1 HOH 21 3.401 -7.427 -3.522 345 H2 HOH 256 H2 HOH 21 3.969 -6.092 -3.961 346 H1 HOH 257 H1 HOH 186 16.507 5.940 -3.079 347 H2 HOH 257 H2 HOH 186 16.659 4.956 -1.938 348 H1 HOH 258 H1 HOH 163 -7.107 7.927 0.260 349 H2 HOH 258 H2 HOH 163 -6.131 7.542 1.350 350 H1 HOH 259 H1 HOH 89 12.474 -5.319 -4.741 351 H2 HOH 259 H2 HOH 89 12.528 -6.772 -5.158 352 H1 HOH 260 H1 HOH 73 5.182 -5.874 4.040 353 H2 HOH 260 H2 HOH 73 5.715 -4.479 4.300 354 H1 HOH 261 H1 HOH 90 13.989 1.340 3.117 355 H2 HOH 261 H2 HOH 90 13.992 0.381 4.286 356 H1 HOH 262 H1 HOH 3 -13.307 -12.177 -3.206 357 H2 HOH 262 H2 HOH 3 -12.640 -12.581 -4.505 358 H1 HOH 263 H1 HOH 58 3.212 -5.463 5.495 359 H2 HOH 263 H2 HOH 58 2.045 -5.703 6.434 360 H1 HOH 264 H1 HOH 118 -13.472 1.229 2.465 361 H2 HOH 264 H2 HOH 118 -12.789 2.556 2.211 362 H1 HOH 265 H1 HOH 57 9.216 1.392 6.495 363 H2 HOH 265 H2 HOH 57 9.576 0.440 7.612 364 H1 HOH 266 H1 HOH 166 -4.308 4.296 -2.434 365 H2 HOH 266 H2 HOH 166 -5.495 3.492 -2.919 366 H1 HOH 267 H1 HOH 121 -9.961 7.243 7.102 367 H2 HOH 267 H2 HOH 121 -11.371 7.756 6.900 368 H1 HOH 268 H1 HOH 97 15.948 -5.159 0.884 369 H2 HOH 268 H2 HOH 97 17.237 -4.451 1.250 370 H1 HOH 269 H1 HOH 17 -7.769 2.582 8.934 371 H2 HOH 269 H2 HOH 17 -7.607 1.624 10.097 372 H1 HOH 270 H1 HOH 162 -2.249 5.599 -2.914 373 H2 HOH 270 H2 HOH 162 -2.933 5.235 -4.215 374 H1 HOH 271 H1 HOH 85 8.203 -9.771 -8.244 375 H2 HOH 271 H2 HOH 85 6.857 -9.170 -8.604 376 H1 HOH 272 H1 HOH 95 14.371 -6.074 0.039 377 H2 HOH 272 H2 HOH 95 13.553 -6.112 1.312 378 H1 HOH 273 H1 HOH 70 8.999 -0.867 5.629 379 H2 HOH 273 H2 HOH 70 9.698 -2.199 5.477 380 H1 HOH 274 H1 HOH 174 6.719 8.888 -3.301 381 H2 HOH 274 H2 HOH 174 7.996 9.297 -4.008 382 H1 HOH 275 H1 HOH 33 -1.463 -14.129 -6.824 383 H2 HOH 275 H2 HOH 33 -0.341 -15.139 -6.927 384 H1 HOH 276 H1 HOH 40 -1.068 -5.148 2.194 385 H2 HOH 276 H2 HOH 40 0.094 -4.178 2.177 386 H1 HOH 277 H1 HOH 55 -1.235 5.531 10.178 387 H2 HOH 277 H2 HOH 55 -1.056 4.153 9.578 388 H1 HOH 278 H1 HOH 81 14.075 -6.614 -6.297 389 H2 HOH 278 H2 HOH 81 14.413 -8.091 -6.368 390 H1 HOH 279 H1 HOH 187 12.780 11.328 -0.703 391 H2 HOH 279 H2 HOH 187 11.814 11.320 -1.866 392 H1 HOH 280 H1 HOH 16 -9.927 -2.952 8.178 393 H2 HOH 280 H2 HOH 16 -11.052 -2.606 7.231 394 H1 HOH 281 H1 HOH 101 13.248 0.295 6.561 395 H2 HOH 281 H2 HOH 101 12.003 0.369 5.705 396 H1 HOH 282 H1 HOH 68 3.786 -2.060 5.025 397 H2 HOH 282 H2 HOH 68 4.111 -3.371 4.338 398 H1 HOH 283 H1 HOH 8 -17.752 -3.321 4.039 399 H2 HOH 283 H2 HOH 8 -18.885 -2.575 4.715 400 H1 HOH 284 H1 HOH 5 -9.028 -11.805 1.501 401 H2 HOH 284 H2 HOH 5 -10.248 -11.409 0.694 402 H1 HOH 285 H1 HOH 158 -2.059 6.695 3.251 403 H2 HOH 285 H2 HOH 158 -3.027 5.556 2.988 404 H1 HOH 286 H1 HOH 128 -6.640 -3.921 -11.348 405 H2 HOH 286 H2 HOH 128 -6.278 -5.012 -10.365 406 H1 HOH 287 H1 HOH 164 -3.859 7.409 1.983 407 H2 HOH 287 H2 HOH 164 -4.079 8.904 1.917 408 H1 HOH 288 H1 HOH 62 0.739 2.490 10.167 409 H2 HOH 288 H2 HOH 62 -0.655 1.980 10.465 410 H1 HOH 289 H1 HOH 113 -13.764 -9.233 -8.181 411 H2 HOH 289 H2 HOH 113 -13.069 -8.147 -7.386 412 H1 HOH 290 H1 HOH 124 -11.468 2.999 -0.821 413 H2 HOH 290 H2 HOH 124 -11.930 2.574 0.556 414 H1 HOH 291 H1 HOH 13 -9.712 1.145 9.255 415 H2 HOH 291 H2 HOH 13 -11.078 0.960 9.874 416 H1 HOH 292 H1 HOH 28 -3.700 -14.441 -8.003 417 H2 HOH 292 H2 HOH 28 -2.902 -13.193 -8.321 418 H1 HOH 293 H1 HOH 98 18.307 -3.479 3.089 419 H2 HOH 293 H2 HOH 98 17.300 -2.414 2.705 420 H1 HOH 294 H1 HOH 102 11.638 5.398 5.032 421 H2 HOH 294 H2 HOH 102 11.099 6.812 5.112 422 H1 HOH 295 H1 HOH 41 -7.127 -6.537 6.421 423 H2 HOH 295 H2 HOH 41 -5.930 -6.240 7.298 424 H1 HOH 296 H1 HOH 79 13.117 -1.868 -5.181 425 H2 HOH 296 H2 HOH 79 13.012 -2.224 -6.648 426 H1 HOH 297 H1 HOH 94 17.771 -3.367 -1.807 427 H2 HOH 297 H2 HOH 94 17.650 -4.655 -1.020 428 H1 HOH 298 H1 HOH 48 -8.022 -10.793 -6.832 429 H2 HOH 298 H2 HOH 48 -8.318 -11.143 -5.386 430 H1 HOH 299 H1 HOH 127 -9.991 -6.866 -8.715 431 H2 HOH 299 H2 HOH 127 -9.620 -7.958 -7.730 432 H1 HOH 300 H1 HOH 31 2.488 -9.431 -3.774 433 H2 HOH 300 H2 HOH 31 1.171 -8.748 -3.476 434 H1 HOH 301 H1 HOH 14 -8.488 -1.638 9.955 435 H2 HOH 301 H2 HOH 14 -9.668 -1.002 9.252 436 H1 HOH 302 H1 HOH 25 4.315 -10.277 2.116 437 H2 HOH 302 H2 HOH 25 4.535 -10.751 3.536 438 H1 HOH 303 H1 HOH 42 -0.811 -6.754 3.599 439 H2 HOH 303 H2 HOH 42 -2.299 -6.744 3.884 440 H1 HOH 304 H1 HOH 115 -12.780 -2.824 -6.673 441 H2 HOH 304 H2 HOH 115 -12.886 -1.789 -7.771 442 H1 HOH 305 H1 HOH 155 -13.166 -5.567 -6.847 443 H2 HOH 305 H2 HOH 155 -12.290 -6.173 -7.926 444 H1 HOH 306 H1 HOH 193 10.560 8.669 -4.626 445 H2 HOH 306 H2 HOH 193 11.786 8.101 -3.941 446 H1 HOH 307 H1 HOH 91 15.965 -0.352 3.303 447 H2 HOH 307 H2 HOH 91 17.376 -0.242 3.836 448 H1 HOH 308 H1 HOH 7 -14.989 -10.185 -0.871 449 H2 HOH 308 H2 HOH 7 -14.751 -9.504 0.458 450 H1 HOH 309 H1 HOH 188 9.583 -0.477 -5.525 451 H2 HOH 309 H2 HOH 188 8.988 -0.180 -4.165 452 H1 HOH 310 H1 HOH 167 0.071 6.446 -2.999 453 H2 HOH 310 H2 HOH 167 -0.595 7.062 -1.789 454 H1 HOH 311 H1 HOH 38 2.761 -9.174 -1.465 455 H2 HOH 311 H2 HOH 38 4.203 -9.273 -1.021 456 H1 HOH 312 H1 HOH 151 -2.822 -6.922 -12.040 457 H2 HOH 312 H2 HOH 151 -3.331 -8.138 -12.788 458 H1 HOH 313 H1 HOH 154 1.723 -5.369 -15.765 459 H2 HOH 313 H2 HOH 154 2.352 -5.897 -14.493 460 H1 HOH 314 H1 HOH 84 15.512 -5.829 -2.867 461 H2 HOH 314 H2 HOH 84 16.631 -4.857 -3.171 462 H1 HOH 315 H1 HOH 43 -1.663 -8.555 5.989 463 H2 HOH 315 H2 HOH 43 -1.486 -9.770 5.102 464 H1 HOH 316 H1 HOH 104 -18.584 -0.209 -3.186 465 H2 HOH 316 H2 HOH 104 -17.848 -0.750 -1.979 466 H1 HOH 317 H1 HOH 19 -6.637 -11.401 -3.646 467 H2 HOH 317 H2 HOH 19 -7.950 -11.851 -3.046 468 H1 HOH 318 H1 HOH 51 -0.386 -1.882 13.206 469 H2 HOH 318 H2 HOH 51 -1.217 -2.870 12.416 470 H1 HOH 319 H1 HOH 149 -11.808 3.542 -4.628 471 H2 HOH 319 H2 HOH 149 -10.339 3.205 -4.481 472 H1 HOH 320 H1 HOH 176 6.610 0.572 -14.256 473 H2 HOH 320 H2 HOH 176 5.308 0.755 -13.504 474 H1 HOH 321 H1 HOH 171 6.483 6.872 3.839 475 H2 HOH 321 H2 HOH 171 6.884 6.054 5.050 476 H1 HOH 322 H1 HOH 117 -12.592 3.381 4.443 477 H2 HOH 322 H2 HOH 117 -12.398 2.883 5.861 478 H1 HOH 323 H1 HOH 137 -3.273 -2.976 -14.318 479 H2 HOH 323 H2 HOH 137 -2.587 -2.493 -13.057 480 H1 HOH 324 H1 HOH 169 0.186 5.691 6.890 481 H2 HOH 324 H2 HOH 169 -1.089 5.509 7.690 482 H1 HOH 325 H1 HOH 191 15.052 4.094 -5.367 483 H2 HOH 325 H2 HOH 191 15.785 3.921 -4.053 484 H1 HOH 326 H1 HOH 152 2.761 -7.835 -13.414 485 H2 HOH 326 H2 HOH 152 3.693 -8.034 -14.592 486 H1 HOH 327 H1 HOH 192 15.591 11.106 -2.969 487 H2 HOH 327 H2 HOH 192 14.324 10.625 -2.294 488 H1 HOH 328 H1 HOH 69 7.571 -2.575 4.412 489 H2 HOH 328 H2 HOH 69 6.221 -2.240 3.814 490 H1 HOH 329 H1 HOH 136 0.628 0.151 -16.446 491 H2 HOH 329 H2 HOH 136 1.987 0.429 -17.048 492 H1 HOH 330 H1 HOH 178 6.155 -0.566 -11.953 493 H2 HOH 330 H2 HOH 178 5.056 -1.365 -11.288 494 H1 HOH 331 H1 HOH 119 -11.690 5.023 3.082 495 H2 HOH 331 H2 HOH 119 -11.757 4.237 1.787 496 H1 HOH 332 H1 HOH 78 10.416 -10.903 -8.926 497 H2 HOH 332 H2 HOH 78 9.199 -11.796 -9.029 498 H1 HOH 333 H1 HOH 64 -2.159 -5.012 12.040 499 H2 HOH 333 H2 HOH 64 -1.593 -5.169 13.434 500 H1 HOH 334 H1 HOH 66 -5.513 0.397 10.884 501 H2 HOH 334 H2 HOH 66 -6.079 1.338 11.922 502 H1 HOH 335 H1 HOH 141 -7.632 0.936 -8.795 503 H2 HOH 335 H2 HOH 141 -7.235 1.806 -9.969 504 H1 HOH 336 H1 HOH 12 -10.958 -9.811 2.133 505 H2 HOH 336 H2 HOH 12 -10.908 -9.094 3.467 506 H1 HOH 337 H1 HOH 109 -13.954 1.347 0.197 507 H2 HOH 337 H2 HOH 109 -13.660 1.205 -1.281 508 H1 HOH 338 H1 HOH 196 13.762 2.465 -4.615 509 H2 HOH 338 H2 HOH 196 12.295 2.830 -4.718 510 H1 HOH 339 H1 HOH 49 -8.445 -12.385 -0.718 511 H2 HOH 339 H2 HOH 49 -8.287 -13.727 -1.397 512 H1 HOH 340 H1 HOH 170 4.424 6.261 4.795 513 H2 HOH 340 H2 HOH 170 3.227 6.754 4.012 514 H1 HOH 341 H1 HOH 195 10.789 4.899 -4.546 515 H2 HOH 341 H2 HOH 195 11.854 5.095 -5.601 516 H1 HOH 342 H1 HOH 156 2.643 4.373 -15.185 517 H2 HOH 342 H2 HOH 156 2.107 4.502 -13.774 518 H1 HOH 343 H1 HOH 26 -4.794 -12.184 -1.492 519 H2 HOH 343 H2 HOH 26 -6.210 -12.590 -1.847 520 H1 HOH 344 H1 HOH 11 -13.381 -4.459 4.900 521 H2 HOH 344 H2 HOH 11 -14.129 -3.167 5.138 522 H1 HOH 345 H1 HOH 61 9.212 5.681 5.571 523 H2 HOH 345 H2 HOH 61 8.422 6.347 6.676 524 H1 HOH 346 H1 HOH 30 -6.995 -9.505 -8.793 525 H2 HOH 346 H2 HOH 30 -6.997 -11.007 -8.972 526 H1 HOH 347 H1 HOH 175 9.078 10.590 4.982 527 H2 HOH 347 H2 HOH 175 10.133 10.528 3.898 528 H1 HOH 348 H1 HOH 147 -2.318 6.322 -6.298 529 H2 HOH 348 H2 HOH 147 -2.164 4.857 -6.639 530 H1 HOH 349 H1 HOH 45 7.530 -6.314 1.504 531 H2 HOH 349 H2 HOH 45 7.805 -7.452 0.541 532 H1 HOH 350 H1 HOH 116 -14.870 0.368 4.537 533 H2 HOH 350 H2 HOH 116 -13.772 1.400 4.390 534 H1 HOH 351 H1 HOH 86 16.128 -7.627 -1.383 535 H2 HOH 351 H2 HOH 86 16.273 -6.266 -0.735 536 H1 HOH 352 H1 HOH 37 -4.059 -8.902 6.582 537 H2 HOH 352 H2 HOH 37 -5.408 -8.298 6.249 538 H1 HOH 353 H1 HOH 103 -15.520 -4.097 -3.033 539 H2 HOH 353 H2 HOH 103 -15.690 -2.763 -3.729 540 H1 HOH 354 H1 HOH 183 4.687 -6.635 -13.133 541 H2 HOH 354 H2 HOH 183 5.648 -5.467 -13.215 542 H1 HOH 355 H1 HOH 83 14.281 -4.080 -5.944 543 H2 HOH 355 H2 HOH 83 15.126 -5.017 -5.102 544 H1 HOH 356 H1 HOH 150 -7.450 -7.469 -10.842 545 H2 HOH 356 H2 HOH 150 -7.962 -7.760 -9.446 546 H1 HOH 357 H1 HOH 107 -20.800 -2.953 -2.965 547 H2 HOH 357 H2 HOH 107 -19.407 -2.434 -2.666 548 H1 HOH 358 H1 HOH 198 16.830 7.334 -6.289 549 H2 HOH 358 H2 HOH 198 15.642 6.449 -5.971 550 H1 HOH 359 H1 HOH 145 1.769 5.642 -11.773 551 H2 HOH 359 H2 HOH 145 0.753 4.561 -12.095 552 H1 HOH 360 H1 HOH 100 13.110 -1.616 4.921 553 H2 HOH 360 H2 HOH 100 13.957 -2.871 4.880 554 H1 HOH 361 H1 HOH 161 -1.109 6.597 5.390 555 H2 HOH 361 H2 HOH 161 -0.511 7.847 4.783 556 H1 HOH 362 H1 HOH 135 3.792 4.050 -12.835 557 H2 HOH 362 H2 HOH 135 4.528 3.081 -11.936 558 H1 HOH 363 H1 HOH 139 -0.402 4.035 -10.097 559 H2 HOH 363 H2 HOH 139 -0.594 5.527 -9.944 560 H1 HOH 364 H1 HOH 111 -19.101 -4.732 -2.772 561 H2 HOH 364 H2 HOH 111 -19.149 -6.180 -3.209 562 H1 HOH 365 H1 HOH 65 2.797 -4.353 8.074 563 H2 HOH 365 H2 HOH 65 4.292 -4.491 8.269 564 H1 HOH 366 H1 HOH 18 -9.198 -4.603 7.225 565 H2 HOH 366 H2 HOH 18 -7.838 -5.028 7.741 566 H1 HOH 367 H1 HOH 54 4.092 -0.876 7.326 567 H2 HOH 367 H2 HOH 54 3.994 -2.376 7.131 568 H1 HOH 368 H1 HOH 80 8.606 -9.386 -3.565 569 H2 HOH 368 H2 HOH 80 7.769 -8.242 -4.101 570 H1 HOH 369 H1 HOH 9 -11.460 -4.410 6.334 571 H2 HOH 369 H2 HOH 9 -11.532 -5.838 5.837 572 H1 HOH 370 H1 HOH 114 -14.343 -3.927 -5.298 573 H2 HOH 370 H2 HOH 114 -14.893 -4.199 -6.681 574 H1 HOH 371 H1 HOH 177 6.960 -0.501 -9.825 575 H2 HOH 371 H2 HOH 177 7.235 0.934 -9.434 576 H1 HOH 372 H1 HOH 77 7.459 -4.041 2.680 577 H2 HOH 372 H2 HOH 77 8.803 -4.550 2.205 578 H1 HOH 373 H1 HOH 4 -14.410 -13.480 -1.371 579 H2 HOH 373 H2 HOH 4 -15.181 -12.235 -1.750 580 H1 HOH 374 H1 HOH 133 -9.800 1.482 -7.588 581 H2 HOH 374 H2 HOH 133 -10.135 0.734 -8.862 582 H1 HOH 375 H1 HOH 197 14.496 4.812 -7.530 583 H2 HOH 375 H2 HOH 197 13.696 5.759 -6.660 584 H1 HOH 376 H1 HOH 35 -2.201 -11.574 1.211 585 H2 HOH 376 H2 HOH 35 -0.977 -11.096 0.460 586 H1 HOH 377 H1 HOH 99 18.457 2.356 0.713 587 H2 HOH 377 H2 HOH 99 18.813 2.952 -0.632 588 H1 HOH 378 H1 HOH 82 12.123 -7.477 -1.982 589 H2 HOH 378 H2 HOH 82 11.390 -6.620 -2.989 590 H1 HOH 379 H1 HOH 143 -8.436 4.444 -4.030 591 H2 HOH 379 H2 HOH 143 -8.476 4.638 -5.530 592 H1 HOH 380 H1 HOH 180 9.752 0.668 -7.468 593 H2 HOH 380 H2 HOH 180 8.561 -0.196 -7.826 594 H1 HOH 381 H1 HOH 160 2.379 5.857 -8.880 595 H2 HOH 381 H2 HOH 160 1.124 5.312 -8.234 596 H1 HOH 382 H1 HOH 132 -11.797 -6.346 -10.177 597 H2 HOH 382 H2 HOH 132 -10.773 -5.293 -9.810 598 H1 HOH 383 H1 HOH 50 6.452 -8.872 -2.369 599 H2 HOH 383 H2 HOH 50 5.188 -8.097 -2.672 600 H1 HOH 384 H1 HOH 190 11.852 7.085 -6.017 601 H2 HOH 384 H2 HOH 190 11.643 6.832 -7.495 602 H1 HOH 385 H1 HOH 142 -8.755 -4.527 -10.739 603 H2 HOH 385 H2 HOH 142 -9.800 -3.755 -11.515 604 H1 HOH 386 H1 HOH 39 -7.846 -11.277 3.937 605 H2 HOH 386 H2 HOH 39 -9.138 -10.837 3.272 606 H1 HOH 387 H1 HOH 10 -9.674 -6.555 6.600 607 H2 HOH 387 H2 HOH 10 -10.366 -7.848 6.980 608 H1 HOH 388 H1 HOH 53 3.042 2.275 10.840 609 H2 HOH 388 H2 HOH 53 2.915 1.212 9.770 610 H1 HOH 389 H1 HOH 2 -17.323 -11.305 -0.964 611 H2 HOH 389 H2 HOH 2 -16.886 -10.893 -2.352 612 H1 HOH 390 H1 HOH 199 5.784 8.008 -6.743 613 H2 HOH 390 H2 HOH 199 6.874 8.624 -5.889 614 H1 HOH 391 H1 HOH 173 3.399 6.439 -7.090 615 H2 HOH 391 H2 HOH 173 4.055 6.816 -5.777 616 H1 HOH 392 H1 HOH 75 2.381 5.857 6.151 617 H2 HOH 392 H2 HOH 75 2.567 5.862 7.653 618 H1 HOH 393 H1 HOH 148 3.787 6.606 -10.406 619 H2 HOH 393 H2 HOH 148 3.549 5.198 -10.911 620 H1 HOH 394 H1 HOH 52 3.952 -0.912 9.789 621 H2 HOH 394 H2 HOH 52 5.129 -0.042 9.400 622 H1 HOH 395 H1 HOH 88 9.755 -7.203 -1.225 623 H2 HOH 395 H2 HOH 88 8.483 -7.877 -1.688 624 H1 HOH 396 H1 HOH 46 -6.809 -11.393 6.127 625 H2 HOH 396 H2 HOH 46 -5.966 -10.311 5.485 626 H1 HOH 397 H1 HOH 20 -7.627 -13.047 2.818 627 H2 HOH 397 H2 HOH 20 -7.692 -14.558 2.736 628 H1 HOH 398 H1 HOH 22 -3.301 -12.328 3.096 629 H2 HOH 398 H2 HOH 22 -2.018 -13.124 3.200 630 H1 HOH 399 H1 HOH 29 -5.412 -12.031 4.291 631 H2 HOH 399 H2 HOH 29 -5.512 -13.151 3.277 Start of MODEL 9 1 HA PRO 62 HA PRO 62 -10.004 -7.650 -4.003 2 HB2 PRO 62 HB2 PRO 62 -11.863 -5.753 -2.554 3 HB3 PRO 62 HB3 PRO 62 -10.704 -5.412 -3.879 4 HG2 PRO 62 HG2 PRO 62 -13.311 -5.692 -4.490 5 HG3 PRO 62 HG3 PRO 62 -12.098 -6.566 -5.492 6 HD2 PRO 62 HD2 PRO 62 -13.716 -7.613 -3.143 7 HD3 PRO 62 HD3 PRO 62 -13.520 -8.360 -4.750 8 H PHE 63 H PHE 63 -8.844 -6.088 -2.303 9 HA PHE 63 HA PHE 63 -8.777 -7.484 0.336 10 HB2 PHE 63 HB2 PHE 63 -6.959 -8.088 -1.282 11 HB3 PHE 63 HB3 PHE 63 -6.443 -6.411 -1.279 12 HD1 PHE 63 HD1 PHE 63 -7.496 -8.407 1.776 13 HD2 PHE 63 HD2 PHE 63 -4.213 -6.877 -0.568 14 HE1 PHE 63 HE1 PHE 63 -5.929 -8.979 3.590 15 HE2 PHE 63 HE2 PHE 63 -2.641 -7.460 1.274 16 HZ PHE 63 HZ PHE 63 -3.512 -8.508 3.354 17 H ALA 64 H ALA 64 -7.179 -5.937 1.811 18 HA ALA 64 HA ALA 64 -7.804 -3.099 1.570 19 HB1 ALA 64 HB1 ALA 64 -8.825 -4.720 3.948 20 HB2 ALA 64 HB2 ALA 64 -8.889 -2.954 3.782 21 HB3 ALA 64 HB3 ALA 64 -9.848 -3.974 2.690 22 H CYS 65 H CYS 65 -6.679 -1.856 3.332 23 HA CYS 65 HA CYS 65 -3.984 -3.036 3.667 24 HB2 CYS 65 HB2 CYS 65 -5.100 -0.227 3.756 25 HB3 CYS 65 HB3 CYS 65 -3.400 -0.632 4.130 26 H ASP 66 H ASP 66 -3.250 -3.747 5.417 27 HA ASP 66 HA ASP 66 -3.964 -3.473 8.091 28 HB2 ASP 66 HB2 ASP 66 -1.906 -4.566 6.568 29 HB3 ASP 66 HB3 ASP 66 -1.051 -3.285 7.383 30 H ILE 67 H ILE 67 -1.990 -1.299 6.114 31 HA ILE 67 HA ILE 67 -1.358 0.495 8.313 32 HB ILE 67 HB ILE 67 -0.667 0.539 5.356 33 HG12 ILE 67 2HG1 ILE 67 0.235 -1.466 6.368 34 HG13 ILE 67 3HG1 ILE 67 1.524 -0.348 6.008 35 HG21 ILE 67 HG21 ILE 67 0.507 2.200 7.610 36 HG22 ILE 67 HG22 ILE 67 1.255 2.011 6.013 37 HG23 ILE 67 HG23 ILE 67 -0.326 2.778 6.155 38 HD11 ILE 67 1HD1 ILE 67 0.357 -0.850 8.782 39 HD12 ILE 67 2HD1 ILE 67 1.900 -1.441 8.153 40 HD13 ILE 67 3HD1 ILE 67 1.668 0.296 8.408 41 H CYS 68 H CYS 68 -3.712 0.642 5.722 42 HA CYS 68 HA CYS 68 -4.252 3.528 6.328 43 HB2 CYS 68 HB2 CYS 68 -4.609 2.012 3.751 44 HB3 CYS 68 HB3 CYS 68 -4.985 3.721 4.004 45 H GLY 69 H GLY 69 -5.618 0.410 6.575 46 HA2 GLY 69 HA2 GLY 69 -7.677 -0.374 7.124 47 HA3 GLY 69 HA3 GLY 69 -8.256 1.287 7.202 48 H ARG 70 H ARG 70 -7.868 2.057 4.514 49 HA ARG 70 HA ARG 70 -10.320 1.134 3.382 50 HB2 ARG 70 HB2 ARG 70 -8.073 2.791 2.149 51 HB3 ARG 70 HB3 ARG 70 -9.635 2.492 1.378 52 HG2 ARG 70 HG2 ARG 70 -10.736 3.441 3.498 53 HG3 ARG 70 HG3 ARG 70 -9.118 4.022 3.949 54 HD2 ARG 70 HD2 ARG 70 -8.989 5.247 1.778 55 HD3 ARG 70 HD3 ARG 70 -10.614 4.646 1.364 56 HE ARG 70 HE ARG 70 -10.613 6.027 3.905 57 HH11 ARG 70 1HH1 ARG 70 -11.689 9.058 2.716 58 HH12 ARG 70 2HH1 ARG 70 -11.301 8.100 4.124 59 HH21 ARG 70 1HH2 ARG 70 -10.620 6.694 0.444 60 HH22 ARG 70 2HH2 ARG 70 -11.133 8.364 0.711 61 H LYS 71 H LYS 71 -10.684 0.411 1.190 62 HA LYS 71 HA LYS 71 -9.600 -2.223 0.767 63 HB2 LYS 71 HB2 LYS 71 -11.343 -0.550 -1.085 64 HB3 LYS 71 HB3 LYS 71 -11.055 -2.294 -1.201 65 HG2 LYS 71 HG2 LYS 71 -12.021 -2.526 1.142 66 HG3 LYS 71 HG3 LYS 71 -12.498 -0.819 1.023 67 HD2 LYS 71 HD2 LYS 71 -13.786 -1.394 -1.070 68 HD3 LYS 71 HD3 LYS 71 -13.402 -3.105 -0.768 69 HE2 LYS 71 HE2 LYS 71 -14.439 -2.820 1.545 70 HE3 LYS 71 HE3 LYS 71 -14.971 -1.213 1.048 71 HZ1 LYS 71 HZ1 LYS 71 -16.222 -2.316 -0.781 72 HZ2 LYS 71 HZ2 LYS 71 -15.755 -3.785 -0.225 73 HZ3 LYS 71 HZ3 LYS 71 -16.727 -2.823 0.688 74 H PHE 72 H PHE 72 -8.753 -3.056 -1.226 75 HA PHE 72 HA PHE 72 -7.948 -1.216 -3.297 76 HB2 PHE 72 HB2 PHE 72 -5.907 -1.598 -1.593 77 HB3 PHE 72 HB3 PHE 72 -5.703 -3.070 -2.538 78 HD1 PHE 72 HD1 PHE 72 -4.475 -2.906 -4.632 79 HD2 PHE 72 HD2 PHE 72 -6.206 0.634 -2.859 80 HE1 PHE 72 HE1 PHE 72 -3.362 -1.481 -6.338 81 HE2 PHE 72 HE2 PHE 72 -5.086 2.034 -4.569 82 HZ PHE 72 HZ PHE 72 -3.661 0.969 -6.315 83 H ALA 73 H ALA 73 -7.531 -2.297 -5.348 84 HA ALA 73 HA ALA 73 -9.464 -4.330 -5.733 85 HB1 ALA 73 HB1 ALA 73 -9.050 -2.579 -7.358 86 HB2 ALA 73 HB2 ALA 73 -7.407 -3.168 -7.652 87 HB3 ALA 73 HB3 ALA 73 -8.804 -4.165 -8.113 88 H ARG 74 H ARG 74 -6.195 -4.758 -7.060 89 HA ARG 74 HA ARG 74 -5.469 -6.941 -5.363 90 HB2 ARG 74 HB2 ARG 74 -6.965 -8.279 -6.791 91 HB3 ARG 74 HB3 ARG 74 -6.108 -7.747 -8.248 92 HG2 ARG 74 HG2 ARG 74 -4.033 -8.832 -7.459 93 HG3 ARG 74 HG3 ARG 74 -4.803 -9.208 -5.911 94 HD2 ARG 74 HD2 ARG 74 -6.471 -10.618 -7.184 95 HD3 ARG 74 HD3 ARG 74 -5.469 -10.349 -8.637 96 HE ARG 74 HE ARG 74 -3.887 -11.286 -6.399 97 HH11 ARG 74 1HH1 ARG 74 -3.857 -14.607 -7.283 98 HH12 ARG 74 2HH1 ARG 74 -3.318 -13.393 -6.146 99 HH21 ARG 74 1HH2 ARG 74 -5.979 -12.444 -8.947 100 HH22 ARG 74 2HH2 ARG 74 -5.283 -14.056 -8.906 101 H SER 75 H SER 75 -4.855 -6.100 -8.726 102 HA SER 75 HA SER 75 -3.202 -5.048 -9.838 103 HB2 SER 75 HB2 SER 75 -3.096 -3.426 -7.295 104 HB3 SER 75 HB3 SER 75 -2.781 -2.871 -8.952 105 HG SER 75 HG SER 75 -4.851 -2.314 -8.667 106 H1 OUD 76 H OUD 76 -1.587 -6.700 -10.053 107 HA OUD 76 HA OUD 76 0.964 -5.877 -8.705 108 HB3 OUD 76 HB3 OUD 76 0.670 -8.318 -8.635 109 HB2 OUD 76 HB2 OUD 76 0.428 -8.369 -10.377 110 HM3 OUD 76 HM3 OUD 76 1.984 -5.588 -10.900 111 HM2 OUD 76 HM2 OUD 76 0.513 -6.149 -11.705 112 HN2 OUD 76 HN2 OUD 76 -0.534 -4.103 -11.264 113 H OUE 77 H OUE 77 -0.854 -2.129 -10.387 114 HA OUE 77 HA OUE 77 1.476 -0.952 -8.951 115 HB3 OUE 77 HB3 OUE 77 0.604 0.022 -11.236 116 HB2 OUE 77 HB2 OUE 77 -0.760 0.609 -10.312 117 HG3 OUE 77 HG3 OUE 77 0.903 2.379 -10.452 118 HG2 OUE 77 HG2 OUE 77 0.827 1.846 -8.788 119 HM2 OUE 77 HM2 OUE 77 -1.415 -0.296 -8.278 120 HM3 OUE 77 HM3 OUE 77 0.040 0.146 -7.377 121 HN2 OUE 77 HN2 OUE 77 -0.676 -2.730 -7.699 122 H1 OUK 78 H OUK 78 -1.429 -3.789 -5.913 123 HA OUK 78 HA OUK 78 0.458 -3.146 -3.709 124 HB2 OUK 78 HB2 OUK 78 -0.396 -5.217 -2.572 125 HB3 OUK 78 HB3 OUK 78 -1.701 -5.325 -3.750 126 HG2 OUK 78 HG2 OUK 78 -2.601 -3.127 -2.982 127 HG3 OUK 78 HG3 OUK 78 -1.225 -2.928 -1.891 128 HD2 OUK 78 HD2 OUK 78 -1.912 -5.006 -0.652 129 HD3 OUK 78 HD3 OUK 78 -3.313 -5.171 -1.717 130 HE2 OUK 78 HE2 OUK 78 -4.445 -3.331 -0.755 131 HE3 OUK 78 HE3 OUK 78 -2.929 -2.525 -0.302 132 HZ3 OUK 78 HZ3 OUK 78 -4.228 -4.743 1.203 133 HZ1 OUK 78 HZ1 OUK 78 -3.999 -3.148 1.646 134 HZ2 OUK 78 HZ2 OUK 78 -2.692 -4.172 1.519 135 HM3 OUK 78 HM3 OUK 78 1.441 -5.346 -4.157 136 HM2 OUK 78 HM2 OUK 78 0.184 -5.698 -5.361 137 HN2 OUK 78 HN2 OUK 78 1.138 -4.190 -6.870 138 H OUR 79 H OUR 79 2.634 -2.828 -7.702 139 HA OUR 79 HA OUR 79 5.037 -2.249 -5.998 140 HB3 OUR 79 HB3 OUR 79 4.707 -2.163 -9.028 141 HB2 OUR 79 HB2 OUR 79 6.180 -1.737 -8.176 142 HG3 OUR 79 HG3 OUR 79 6.616 -4.009 -7.509 143 HG2 OUR 79 HG2 OUR 79 4.963 -4.529 -7.845 144 HD3 OUR 79 HD3 OUR 79 5.251 -4.034 -10.241 145 HD2 OUR 79 HD2 OUR 79 6.946 -3.602 -9.964 146 HE OUR 79 HE OUR 79 7.404 -5.815 -9.314 147 HH12 OUR 79 2HH1 OUR 79 7.997 -5.798 -11.727 148 HH11 OUR 79 1HH1 OUR 79 6.830 -6.145 -12.826 149 HH22 OUR 79 2HH2 OUR 79 4.285 -6.872 -10.452 150 HM2 OUR 79 HM2 OUR 79 3.695 -0.269 -7.891 151 HM3 OUR 79 HM3 OUR 79 5.014 0.048 -6.749 152 HN2 OUR 79 HN2 OUR 79 2.236 -0.695 -5.980 153 HH21 OUR 79 1HH2 OUR 79 4.698 -7.076 -12.013 154 H OUH 80 H OUH 80 1.005 0.961 -5.529 155 HA OUH 80 HA OUH 80 2.166 2.254 -3.126 156 HB2 OUH 80 HB2 OUH 80 -0.345 2.623 -4.641 157 HB3 OUH 80 HB3 OUH 80 0.492 3.717 -3.578 158 HD2 OUH 80 HD2 OUH 80 0.041 3.149 -0.776 159 HD1 OUH 80 HD1 OUH 80 -2.557 1.459 -3.645 160 HE1 OUH 80 HE1 OUH 80 -3.584 1.307 -1.268 161 HM2 OUH 80 HM2 OUH 80 0.100 0.014 -3.055 162 HM3 OUH 80 HM3 OUH 80 0.942 0.754 -1.692 163 HN2 OUH 80 HN2 OUH 80 2.267 -0.924 -3.758 164 H1 OUK 81 H OUK 81 4.066 -1.963 -3.208 165 HA OUK 81 HA OUK 81 5.205 -1.336 -0.517 166 HB2 OUK 81 HB2 OUK 81 6.570 -3.378 -0.696 167 HB3 OUK 81 HB3 OUK 81 5.876 -3.745 -2.272 168 HG2 OUK 81 HG2 OUK 81 3.600 -4.001 -1.190 169 HG3 OUK 81 HG3 OUK 81 4.340 -3.705 0.387 170 HD2 OUK 81 HD2 OUK 81 5.779 -5.720 0.100 171 HD3 OUK 81 HD3 OUK 81 5.190 -5.926 -1.544 172 HE2 OUK 81 HE2 OUK 81 3.913 -7.508 -0.378 173 HE3 OUK 81 HE3 OUK 81 2.802 -6.142 -0.518 174 HZ3 OUK 81 HZ3 OUK 81 3.314 -5.608 1.819 175 HZ1 OUK 81 HZ1 OUK 81 4.345 -6.922 1.916 176 HZ2 OUK 81 HZ2 OUK 81 2.724 -7.172 1.637 177 HM3 OUK 81 HM3 OUK 81 7.370 -1.079 -1.563 178 HM2 OUK 81 HM2 OUK 81 6.768 -1.691 -3.110 179 HN2 OUK 81 HN2 OUK 81 5.724 0.356 -3.571 180 H OUI 82 H OUI 82 5.321 2.482 -3.353 181 HA OUI 82 HA OUI 82 5.847 3.674 -0.658 182 HB OUI 82 HB OUI 82 5.870 5.874 -1.673 183 3HG1 OUI 82 3HG1 OUI 82 5.692 4.482 -4.403 184 2HG1 OUI 82 2HG1 OUI 82 4.434 5.469 -3.675 185 1HG2 OUI 82 1HG2 OUI 82 7.913 4.063 -3.064 186 2HG2 OUI 82 2HG2 OUI 82 7.987 4.527 -1.355 187 3HG2 OUI 82 3HG2 OUI 82 8.124 5.759 -2.604 188 2HD1 OUI 82 2HD1 OUI 82 7.169 6.462 -4.599 189 3HD1 OUI 82 3HD1 OUI 82 6.022 7.445 -3.660 190 1HD1 OUI 82 1HD1 OUI 82 5.584 6.855 -5.265 191 HM2 OUI 82 HM2 OUI 82 3.392 4.008 -2.435 192 HM3 OUI 82 HM3 OUI 82 3.709 4.926 -0.954 193 HN2 OUI 82 HN2 OUI 82 3.376 1.964 -1.112 194 H OUH 83 H OUH 83 3.604 0.863 0.772 195 HA OUH 83 HA OUH 83 3.145 2.341 3.303 196 HB2 OUH 83 HB2 OUH 83 3.202 0.136 4.379 197 HB3 OUH 83 HB3 OUH 83 3.671 -0.623 2.873 198 HD2 OUH 83 HD2 OUH 83 0.882 2.075 2.859 199 HD1 OUH 83 HD1 OUH 83 1.355 -2.112 2.672 200 HE1 OUH 83 HE1 OUH 83 -1.060 -1.422 2.002 201 HM2 OUH 83 HM2 OUH 83 5.315 1.388 4.234 202 HM3 OUH 83 HM3 OUH 83 5.458 2.734 3.087 203 HN2 OUH 83 HN2 OUH 83 5.882 0.968 1.347 204 H ARG 84 H ARG 84 7.900 1.126 0.704 205 HA ARG 84 HA ARG 84 9.978 -0.146 2.322 206 HB2 ARG 84 HB2 ARG 84 10.040 -0.320 -0.072 207 HB3 ARG 84 HB3 ARG 84 10.089 1.436 -0.289 208 HG2 ARG 84 HG2 ARG 84 12.326 1.597 0.476 209 HG3 ARG 84 HG3 ARG 84 12.243 0.056 1.337 210 HD2 ARG 84 HD2 ARG 84 13.650 -0.230 -0.553 211 HD3 ARG 84 HD3 ARG 84 12.173 -1.189 -0.743 212 HE ARG 84 HE ARG 84 12.064 1.430 -2.094 213 HH11 ARG 84 1HH1 ARG 84 13.468 -1.797 -2.465 214 HH12 ARG 84 2HH1 ARG 84 13.632 -1.540 -4.187 215 HH21 ARG 84 1HH2 ARG 84 12.210 1.543 -4.245 216 HH22 ARG 84 2HH2 ARG 84 12.856 0.212 -5.177 217 H LYS 85 H LYS 85 9.027 3.180 1.807 218 HA LYS 85 HA LYS 85 10.207 3.969 4.327 219 HB2 LYS 85 HB2 LYS 85 12.185 4.440 3.026 220 HB3 LYS 85 HB3 LYS 85 11.242 5.255 1.750 221 HG2 LYS 85 HG2 LYS 85 10.723 7.109 3.144 222 HG3 LYS 85 HG3 LYS 85 11.239 6.254 4.603 223 HD2 LYS 85 HD2 LYS 85 13.567 6.488 4.018 224 HD3 LYS 85 HD3 LYS 85 13.145 7.104 2.401 225 HE2 LYS 85 HE2 LYS 85 13.813 8.910 4.008 226 HE3 LYS 85 HE3 LYS 85 12.207 9.118 3.299 227 HZ1 LYS 85 HZ1 LYS 85 11.189 8.381 5.328 228 HZ2 LYS 85 HZ2 LYS 85 12.667 8.002 6.000 229 HZ3 LYS 85 HZ3 LYS 85 12.232 9.570 5.693 230 H ASP 86 H ASP 86 9.251 5.709 5.187 231 HA ASP 86 HA ASP 86 7.096 7.193 3.702 232 HB2 ASP 86 HB2 ASP 86 6.222 5.918 5.595 233 HB3 ASP 86 HB3 ASP 86 7.402 6.679 6.694 234 H1 HOH 201 H1 HOH 158 -0.582 3.748 1.373 235 H2 HOH 201 H2 HOH 158 -1.504 3.427 2.536 236 H1 HOH 202 H1 HOH 57 -5.580 -5.437 9.582 237 H2 HOH 202 H2 HOH 57 -4.316 -5.935 8.910 238 H1 HOH 203 H1 HOH 42 -3.505 -8.394 9.498 239 H2 HOH 203 H2 HOH 42 -2.735 -7.240 8.890 240 H1 HOH 204 H1 HOH 191 3.688 10.027 7.972 241 H2 HOH 204 H2 HOH 191 4.120 8.580 8.079 242 H1 HOH 205 H1 HOH 190 6.293 9.924 2.643 243 H2 HOH 205 H2 HOH 190 5.362 9.354 3.691 244 H1 HOH 206 H1 HOH 84 9.945 8.377 7.199 245 H2 HOH 206 H2 HOH 84 10.832 7.288 7.763 246 H1 HOH 207 H1 HOH 194 8.489 7.021 1.411 247 H2 HOH 207 H2 HOH 194 8.702 8.309 2.177 248 H1 HOH 208 H1 HOH 83 4.729 6.125 7.684 249 H2 HOH 208 H2 HOH 83 3.959 4.971 7.080 250 H1 HOH 209 H1 HOH 37 -0.413 -6.786 8.282 251 H2 HOH 209 H2 HOH 37 -1.134 -8.109 8.178 252 H1 HOH 210 H1 HOH 189 3.806 8.393 4.952 253 H2 HOH 210 H2 HOH 189 2.557 8.193 5.782 254 H1 HOH 211 H1 HOH 59 0.399 -4.806 10.111 255 H2 HOH 211 H2 HOH 59 0.356 -5.038 11.605 256 H1 HOH 212 H1 HOH 151 2.820 -7.996 -12.396 257 H2 HOH 212 H2 HOH 151 3.763 -7.986 -13.586 258 H1 HOH 213 H1 HOH 187 -2.546 5.735 8.285 259 H2 HOH 213 H2 HOH 187 -2.853 4.252 8.312 260 H1 HOH 214 H1 HOH 47 2.887 -7.662 -7.259 261 H2 HOH 214 H2 HOH 47 2.662 -6.506 -6.311 262 H1 HOH 215 H1 HOH 115 -8.145 4.095 6.387 263 H2 HOH 215 H2 HOH 115 -9.353 3.995 7.295 264 H1 HOH 216 H1 HOH 30 3.152 -11.405 -10.195 265 H2 HOH 216 H2 HOH 30 2.400 -10.120 -10.474 266 H1 HOH 217 H1 HOH 10 -12.157 -0.190 5.791 267 H2 HOH 217 H2 HOH 10 -11.035 -0.922 5.085 268 H1 HOH 218 H1 HOH 181 5.116 1.605 -9.390 269 H2 HOH 218 H2 HOH 181 4.913 0.331 -10.164 270 H1 HOH 219 H1 HOH 71 -4.799 -2.279 11.163 271 H2 HOH 219 H2 HOH 71 -4.759 -1.577 9.826 272 H1 HOH 220 H1 HOH 186 3.358 10.787 5.559 273 H2 HOH 220 H2 HOH 186 4.665 10.112 5.921 274 H1 HOH 221 H1 HOH 78 -1.525 2.811 9.257 275 H2 HOH 221 H2 HOH 78 -1.466 3.980 10.213 276 H1 HOH 222 H1 HOH 180 1.755 0.975 -13.196 277 H2 HOH 222 H2 HOH 180 2.833 1.104 -12.138 278 H1 HOH 223 H1 HOH 51 -0.800 -4.896 3.089 279 H2 HOH 223 H2 HOH 51 -1.931 -5.883 3.292 280 H1 HOH 224 H1 HOH 89 15.601 -1.252 -5.603 281 H2 HOH 224 H2 HOH 89 14.338 -1.020 -6.411 282 H1 HOH 225 H1 HOH 3 -12.042 -11.572 -5.443 283 H2 HOH 225 H2 HOH 3 -13.073 -10.481 -5.641 284 H1 HOH 226 H1 HOH 138 -9.627 7.795 6.014 285 H2 HOH 226 H2 HOH 138 -10.633 8.928 6.083 286 H1 HOH 227 H1 HOH 26 -3.421 -13.325 -3.517 287 H2 HOH 227 H2 HOH 26 -2.254 -12.517 -4.048 288 H1 HOH 228 H1 HOH 23 -3.627 -17.282 -7.265 289 H2 HOH 228 H2 HOH 23 -3.464 -16.515 -8.561 290 H1 HOH 229 H1 HOH 53 0.662 -5.032 7.225 291 H2 HOH 229 H2 HOH 53 0.403 -6.424 6.697 292 H1 HOH 230 H1 HOH 117 -16.816 -3.020 -3.018 293 H2 HOH 230 H2 HOH 117 -18.022 -2.150 -2.726 294 H1 HOH 231 H1 HOH 22 -4.772 -15.944 -10.178 295 H2 HOH 231 H2 HOH 22 -5.811 -15.136 -10.927 296 H1 HOH 232 H1 HOH 108 14.981 7.320 6.487 297 H2 HOH 232 H2 HOH 108 14.093 7.598 7.684 298 H1 HOH 233 H1 HOH 1 -13.520 -9.914 -0.731 299 H2 HOH 233 H2 HOH 1 -12.755 -11.009 -1.446 300 H1 HOH 234 H1 HOH 184 -10.331 10.654 0.273 301 H2 HOH 234 H2 HOH 184 -11.075 10.249 -0.986 302 H1 HOH 235 H1 HOH 173 1.781 5.172 0.797 303 H2 HOH 235 H2 HOH 173 1.009 6.393 0.345 304 H1 HOH 236 H1 HOH 25 -7.982 -10.688 -9.586 305 H2 HOH 236 H2 HOH 25 -8.335 -11.896 -8.734 306 H1 HOH 237 H1 HOH 153 -11.070 5.873 -1.719 307 H2 HOH 237 H2 HOH 153 -10.753 4.619 -0.930 308 H1 HOH 238 H1 HOH 46 3.934 -3.413 2.910 309 H2 HOH 238 H2 HOH 46 3.758 -4.756 3.586 310 H1 HOH 239 H1 HOH 49 2.229 -9.552 1.103 311 H2 HOH 239 H2 HOH 49 0.892 -9.130 1.684 312 H1 HOH 240 H1 HOH 114 -19.230 -2.365 1.496 313 H2 HOH 240 H2 HOH 114 -18.261 -3.182 2.325 314 H1 HOH 241 H1 HOH 116 -16.913 -5.381 -1.101 315 H2 HOH 241 H2 HOH 116 -15.977 -5.148 -2.270 316 H1 HOH 242 H1 HOH 60 -1.882 -10.587 -6.464 317 H2 HOH 242 H2 HOH 60 -1.851 -10.678 -4.951 318 H1 HOH 243 H1 HOH 122 -12.205 11.581 2.397 319 H2 HOH 243 H2 HOH 122 -12.157 10.560 1.278 320 H1 HOH 244 H1 HOH 56 4.183 -6.542 4.966 321 H2 HOH 244 H2 HOH 56 5.511 -6.271 4.280 322 H1 HOH 245 H1 HOH 34 4.270 -9.667 2.164 323 H2 HOH 245 H2 HOH 34 4.375 -9.238 3.614 324 H1 HOH 246 H1 HOH 156 -4.319 2.715 1.867 325 H2 HOH 246 H2 HOH 156 -4.765 1.353 1.369 326 H1 HOH 247 H1 HOH 93 12.544 -1.390 4.523 327 H2 HOH 247 H2 HOH 93 11.992 -0.231 3.722 328 H1 HOH 248 H1 HOH 123 -10.555 5.037 6.117 329 H2 HOH 248 H2 HOH 123 -11.322 6.331 5.937 330 H1 HOH 249 H1 HOH 92 15.936 -3.530 -1.869 331 H2 HOH 249 H2 HOH 92 15.021 -3.721 -3.061 332 H1 HOH 250 H1 HOH 136 -13.278 10.361 3.829 333 H2 HOH 250 H2 HOH 136 -14.164 9.735 4.890 334 H1 HOH 251 H1 HOH 7 -11.135 -8.219 2.770 335 H2 HOH 251 H2 HOH 7 -10.927 -8.636 1.327 336 H1 HOH 252 H1 HOH 193 -8.814 10.202 3.770 337 H2 HOH 252 H2 HOH 193 -9.962 10.859 4.511 338 H1 HOH 253 H1 HOH 107 11.195 5.005 7.082 339 H2 HOH 253 H2 HOH 107 12.509 5.767 7.133 340 H1 HOH 254 H1 HOH 48 -3.386 -7.479 -4.160 341 H2 HOH 254 H2 HOH 48 -4.398 -8.313 -3.402 342 H1 HOH 255 H1 HOH 124 -18.594 -4.244 0.111 343 H2 HOH 255 H2 HOH 124 -19.375 -5.255 -0.702 344 H1 HOH 256 H1 HOH 45 6.051 -8.329 1.932 345 H2 HOH 256 H2 HOH 45 7.100 -7.236 1.915 346 H1 HOH 257 H1 HOH 35 5.533 -2.494 3.981 347 H2 HOH 257 H2 HOH 35 5.902 -1.667 2.767 348 H1 HOH 258 H1 HOH 199 6.151 -8.235 -14.541 349 H2 HOH 258 H2 HOH 199 5.522 -9.426 -13.855 350 H1 HOH 259 H1 HOH 81 -2.364 -2.822 11.881 351 H2 HOH 259 H2 HOH 81 -3.160 -1.683 12.481 352 H1 HOH 260 H1 HOH 96 6.896 -9.183 -9.400 353 H2 HOH 260 H2 HOH 96 7.912 -9.196 -10.520 354 H1 HOH 261 H1 HOH 141 -2.424 -7.076 -12.784 355 H2 HOH 261 H2 HOH 141 -1.988 -5.630 -12.688 356 H1 HOH 262 H1 HOH 172 -5.344 0.986 -8.875 357 H2 HOH 262 H2 HOH 172 -5.423 -0.183 -9.838 358 H1 HOH 263 H1 HOH 24 -0.881 -11.699 -8.633 359 H2 HOH 263 H2 HOH 24 -0.607 -12.140 -7.208 360 H1 HOH 264 H1 HOH 28 -8.229 -16.190 -8.435 361 H2 HOH 264 H2 HOH 28 -7.121 -15.410 -9.111 362 H1 HOH 265 H1 HOH 162 -7.199 7.622 2.727 363 H2 HOH 265 H2 HOH 162 -6.970 6.548 3.770 364 H1 HOH 266 H1 HOH 111 -12.906 1.288 2.166 365 H2 HOH 266 H2 HOH 111 -13.391 2.463 1.339 366 H1 HOH 267 H1 HOH 19 -7.690 -12.843 -10.549 367 H2 HOH 267 H2 HOH 19 -8.126 -14.293 -10.567 368 H1 HOH 268 H1 HOH 87 8.568 -8.480 -14.271 369 H2 HOH 268 H2 HOH 87 9.990 -8.854 -13.909 370 H1 HOH 269 H1 HOH 29 -3.426 -11.993 -11.955 371 H2 HOH 269 H2 HOH 29 -3.023 -13.415 -11.620 372 H1 HOH 270 H1 HOH 101 10.278 -7.323 -8.963 373 H2 HOH 270 H2 HOH 101 8.849 -7.792 -8.791 374 H1 HOH 271 H1 HOH 185 4.490 -1.950 -12.976 375 H2 HOH 271 H2 HOH 185 4.108 -2.368 -11.575 376 H1 HOH 272 H1 HOH 85 9.163 3.714 7.164 377 H2 HOH 272 H2 HOH 85 10.275 2.686 7.137 378 H1 HOH 273 H1 HOH 88 14.831 2.913 -0.421 379 H2 HOH 273 H2 HOH 88 14.755 2.415 -1.849 380 H1 HOH 274 H1 HOH 82 -5.396 1.035 10.307 381 H2 HOH 274 H2 HOH 82 -5.592 2.535 10.213 382 H1 HOH 275 H1 HOH 126 -16.674 -0.422 3.807 383 H2 HOH 275 H2 HOH 126 -16.711 -1.925 3.629 384 H1 HOH 276 H1 HOH 164 2.603 6.009 -9.184 385 H2 HOH 276 H2 HOH 164 3.430 4.926 -9.844 386 H1 HOH 277 H1 HOH 77 6.455 4.200 7.878 387 H2 HOH 277 H2 HOH 77 7.410 4.967 6.993 388 H1 HOH 278 H1 HOH 5 -12.667 -4.955 1.978 389 H2 HOH 278 H2 HOH 5 -13.667 -5.711 1.129 390 H1 HOH 279 H1 HOH 132 -14.107 6.764 -0.271 391 H2 HOH 279 H2 HOH 132 -13.399 5.840 -1.236 392 H1 HOH 280 H1 HOH 39 1.584 -4.393 3.604 393 H2 HOH 280 H2 HOH 39 0.801 -4.960 4.774 394 H1 HOH 281 H1 HOH 9 -14.665 -6.506 -0.596 395 H2 HOH 281 H2 HOH 9 -14.044 -7.714 0.082 396 H1 HOH 282 H1 HOH 137 -11.877 10.551 5.604 397 H2 HOH 282 H2 HOH 137 -11.147 11.314 6.691 398 H1 HOH 283 H1 HOH 50 0.277 -8.169 -1.592 399 H2 HOH 283 H2 HOH 50 1.245 -8.139 -0.427 400 H1 HOH 284 H1 HOH 58 5.626 -1.631 6.216 401 H2 HOH 284 H2 HOH 58 5.364 -3.115 6.323 402 H1 HOH 285 H1 HOH 68 -6.504 -9.434 -4.335 403 H2 HOH 285 H2 HOH 68 -6.255 -9.662 -2.859 404 H1 HOH 286 H1 HOH 105 12.109 8.528 8.765 405 H2 HOH 286 H2 HOH 105 12.892 8.435 10.057 406 H1 HOH 287 H1 HOH 80 -4.135 4.428 9.950 407 H2 HOH 287 H2 HOH 80 -4.837 4.661 11.271 408 H1 HOH 288 H1 HOH 129 -12.539 1.906 6.338 409 H2 HOH 288 H2 HOH 129 -12.919 1.313 7.680 410 H1 HOH 289 H1 HOH 11 -12.947 -9.269 1.386 411 H2 HOH 289 H2 HOH 11 -14.288 -9.957 1.541 412 H1 HOH 290 H1 HOH 120 -14.808 -0.285 -3.377 413 H2 HOH 290 H2 HOH 120 -16.081 -0.764 -2.709 414 H1 HOH 291 H1 HOH 198 9.793 -3.439 -14.251 415 H2 HOH 291 H2 HOH 198 8.403 -3.344 -13.654 416 H1 HOH 292 H1 HOH 98 14.096 -3.333 -0.593 417 H2 HOH 292 H2 HOH 98 14.435 -2.532 0.647 418 H1 HOH 293 H1 HOH 64 6.045 -8.768 -0.174 419 H2 HOH 293 H2 HOH 64 5.625 -8.906 -1.625 420 H1 HOH 294 H1 HOH 188 3.700 9.365 2.321 421 H2 HOH 294 H2 HOH 188 2.587 8.746 3.136 422 H1 HOH 295 H1 HOH 2 -14.622 -10.359 -2.821 423 H2 HOH 295 H2 HOH 2 -16.038 -10.877 -2.964 424 H1 HOH 296 H1 HOH 31 -10.129 -13.440 -7.542 425 H2 HOH 296 H2 HOH 31 -8.758 -13.841 -8.044 426 H1 HOH 297 H1 HOH 16 -11.195 -12.170 -0.081 427 H2 HOH 297 H2 HOH 16 -11.631 -13.184 -1.116 428 H1 HOH 298 H1 HOH 128 -9.682 2.257 8.747 429 H2 HOH 298 H2 HOH 128 -10.817 2.035 7.766 430 H1 HOH 299 H1 HOH 139 -4.318 -5.632 -12.127 431 H2 HOH 299 H2 HOH 139 -5.722 -6.013 -11.701 432 H1 HOH 300 H1 HOH 13 -8.626 0.294 9.919 433 H2 HOH 300 H2 HOH 13 -7.763 1.534 9.847 434 H1 HOH 301 H1 HOH 67 6.134 -5.647 -5.618 435 H2 HOH 301 H2 HOH 67 7.588 -6.059 -5.522 436 H1 HOH 302 H1 HOH 147 -4.687 0.089 -12.110 437 H2 HOH 302 H2 HOH 147 -5.334 -1.284 -12.073 438 H1 HOH 303 H1 HOH 133 -11.771 2.704 0.263 439 H2 HOH 303 H2 HOH 133 -12.202 2.692 -1.189 440 H1 HOH 304 H1 HOH 44 3.789 -11.546 0.542 441 H2 HOH 304 H2 HOH 44 4.295 -10.170 0.161 442 H1 HOH 305 H1 HOH 112 -12.811 7.346 -2.506 443 H2 HOH 305 H2 HOH 112 -12.585 6.327 -3.606 444 H1 HOH 306 H1 HOH 169 -2.151 3.449 -7.611 445 H2 HOH 306 H2 HOH 169 -0.964 3.156 -6.716 446 H1 HOH 307 H1 HOH 97 14.935 0.188 2.766 447 H2 HOH 307 H2 HOH 97 15.971 1.000 2.016 448 H1 HOH 308 H1 HOH 195 -7.290 7.240 6.830 449 H2 HOH 308 H2 HOH 195 -8.333 6.220 6.423 450 H1 HOH 309 H1 HOH 109 -15.523 -10.379 -6.521 451 H2 HOH 309 H2 HOH 109 -15.045 -10.199 -5.095 452 H1 HOH 310 H1 HOH 197 7.666 -8.369 -16.554 453 H2 HOH 310 H2 HOH 197 7.589 -7.067 -15.785 454 H1 HOH 311 H1 HOH 32 5.261 -12.811 -9.950 455 H2 HOH 311 H2 HOH 32 4.744 -12.114 -8.710 456 H1 HOH 312 H1 HOH 134 -12.679 9.477 -2.251 457 H2 HOH 312 H2 HOH 134 -14.132 9.463 -1.825 458 H1 HOH 313 H1 HOH 125 -16.451 -4.741 -4.692 459 H2 HOH 313 H2 HOH 125 -15.317 -3.871 -4.189 460 H1 HOH 314 H1 HOH 70 9.836 -3.673 2.213 461 H2 HOH 314 H2 HOH 70 8.559 -3.104 2.794 462 H1 HOH 315 H1 HOH 106 15.233 2.618 3.465 463 H2 HOH 315 H2 HOH 106 14.396 3.370 4.479 464 H1 HOH 316 H1 HOH 8 -10.536 -6.471 4.634 465 H2 HOH 316 H2 HOH 8 -10.020 -7.893 4.615 466 H1 HOH 317 H1 HOH 148 -5.364 -12.132 -12.244 467 H2 HOH 317 H2 HOH 148 -6.865 -12.319 -12.289 468 H1 HOH 318 H1 HOH 127 -14.542 -0.446 3.304 469 H2 HOH 318 H2 HOH 127 -13.135 -0.331 3.859 470 H1 HOH 319 H1 HOH 165 1.154 7.043 -2.080 471 H2 HOH 319 H2 HOH 165 0.979 5.650 -1.521 472 H1 HOH 320 H1 HOH 4 -16.906 -4.009 3.889 473 H2 HOH 320 H2 HOH 4 -18.117 -3.648 4.726 474 H1 HOH 321 H1 HOH 144 1.365 -7.206 -13.863 475 H2 HOH 321 H2 HOH 144 0.857 -6.321 -14.980 476 H1 HOH 322 H1 HOH 21 0.864 -12.332 -5.534 477 H2 HOH 322 H2 HOH 21 0.348 -13.756 -5.481 478 H1 HOH 323 H1 HOH 6 -15.076 -5.385 4.521 479 H2 HOH 323 H2 HOH 6 -14.858 -4.968 3.082 480 H1 HOH 324 H1 HOH 196 7.407 -4.748 -16.716 481 H2 HOH 324 H2 HOH 196 8.182 -4.874 -15.420 482 H1 HOH 325 H1 HOH 143 -6.474 -8.085 -11.960 483 H2 HOH 325 H2 HOH 143 -7.310 -8.016 -10.700 484 H1 HOH 326 H1 HOH 176 -6.342 9.778 2.731 485 H2 HOH 326 H2 HOH 176 -7.539 9.898 1.811 486 H1 HOH 327 H1 HOH 18 -2.391 -15.716 -10.395 487 H2 HOH 327 H2 HOH 18 -2.706 -17.126 -10.851 488 H1 HOH 328 H1 HOH 75 -3.000 0.430 13.868 489 H2 HOH 328 H2 HOH 75 -1.980 0.293 12.755 490 H1 HOH 329 H1 HOH 61 1.443 -8.072 -5.143 491 H2 HOH 329 H2 HOH 61 1.569 -8.135 -3.635 492 H1 HOH 330 H1 HOH 121 -12.428 4.011 5.519 493 H2 HOH 330 H2 HOH 121 -13.010 3.260 4.341 494 H1 HOH 331 H1 HOH 66 5.834 0.459 7.649 495 H2 HOH 331 H2 HOH 66 5.076 -0.685 8.286 496 H1 HOH 332 H1 HOH 69 7.928 -5.320 2.890 497 H2 HOH 332 H2 HOH 69 8.204 -6.348 3.967 498 H1 HOH 333 H1 HOH 167 1.138 5.864 -4.180 499 H2 HOH 333 H2 HOH 167 1.910 6.452 -5.343 500 H1 HOH 334 H1 HOH 102 9.286 -6.179 -7.039 501 H2 HOH 334 H2 HOH 102 9.958 -6.103 -5.685 502 H1 HOH 335 H1 HOH 103 17.356 7.745 6.128 503 H2 HOH 335 H2 HOH 103 16.785 6.694 5.196 504 H1 HOH 336 H1 HOH 160 -10.930 -0.200 -6.862 505 H2 HOH 336 H2 HOH 160 -10.289 0.539 -5.709 506 H1 HOH 337 H1 HOH 100 17.455 0.286 -5.725 507 H2 HOH 337 H2 HOH 100 18.026 -0.942 -5.051 508 H1 HOH 338 H1 HOH 177 -9.346 11.421 2.086 509 H2 HOH 338 H2 HOH 177 -8.877 12.544 1.183 510 H1 HOH 339 H1 HOH 146 -5.901 -2.958 -13.845 511 H2 HOH 339 H2 HOH 146 -5.544 -3.599 -12.520 512 H1 HOH 340 H1 HOH 43 -6.941 -11.490 -1.000 513 H2 HOH 340 H2 HOH 43 -5.738 -10.626 -1.319 514 H1 HOH 341 H1 HOH 145 -10.344 -6.703 -9.611 515 H2 HOH 341 H2 HOH 145 -11.514 -7.433 -8.979 516 H1 HOH 342 H1 HOH 157 1.848 8.856 -0.562 517 H2 HOH 342 H2 HOH 157 1.944 8.311 0.843 518 H1 HOH 343 H1 HOH 86 9.586 0.529 7.945 519 H2 HOH 343 H2 HOH 86 10.817 0.933 8.725 520 H1 HOH 344 H1 HOH 20 -0.324 -14.887 -11.044 521 H2 HOH 344 H2 HOH 20 -0.931 -13.628 -10.466 522 H1 HOH 345 H1 HOH 73 -1.027 1.895 11.386 523 H2 HOH 345 H2 HOH 73 0.218 1.276 11.978 524 H1 HOH 346 H1 HOH 113 -16.549 9.119 4.881 525 H2 HOH 346 H2 HOH 113 -15.710 8.094 5.614 526 H1 HOH 347 H1 HOH 17 -0.644 -11.308 -10.897 527 H2 HOH 347 H2 HOH 17 0.683 -11.738 -10.307 528 H1 HOH 348 H1 HOH 79 3.137 5.336 10.573 529 H2 HOH 348 H2 HOH 79 3.638 4.719 9.284 530 H1 HOH 349 H1 HOH 168 0.859 0.476 -15.085 531 H2 HOH 349 H2 HOH 168 -0.040 -0.546 -14.420 532 H1 HOH 350 H1 HOH 99 9.391 -3.858 -6.029 533 H2 HOH 350 H2 HOH 99 9.404 -2.953 -4.815 534 H1 HOH 351 H1 HOH 170 1.875 6.956 -7.461 535 H2 HOH 351 H2 HOH 170 0.982 5.762 -7.219 536 H1 HOH 352 H1 HOH 62 3.477 -3.481 11.746 537 H2 HOH 352 H2 HOH 62 2.283 -3.608 10.826 538 H1 HOH 353 H1 HOH 152 -4.103 4.677 -6.935 539 H2 HOH 353 H2 HOH 152 -3.667 3.473 -6.131 540 H1 HOH 354 H1 HOH 161 -10.542 9.926 -3.260 541 H2 HOH 354 H2 HOH 161 -11.283 11.245 -3.244 542 H1 HOH 355 H1 HOH 174 -7.206 0.160 -8.476 543 H2 HOH 355 H2 HOH 174 -8.443 0.426 -9.306 544 H1 HOH 356 H1 HOH 175 -8.569 1.165 -6.810 545 H2 HOH 356 H2 HOH 175 -8.201 2.277 -5.848 546 H1 HOH 357 H1 HOH 15 -7.118 -1.523 10.239 547 H2 HOH 357 H2 HOH 15 -8.364 -1.884 11.020 548 H1 HOH 358 H1 HOH 159 -7.377 5.648 -1.481 549 H2 HOH 358 H2 HOH 159 -8.823 5.431 -1.870 550 H1 HOH 359 H1 HOH 38 2.415 -6.482 6.328 551 H2 HOH 359 H2 HOH 38 3.025 -7.670 7.042 552 H1 HOH 360 H1 HOH 90 11.708 -2.378 2.419 553 H2 HOH 360 H2 HOH 90 12.224 -3.111 1.198 554 H1 HOH 361 H1 HOH 150 -1.673 -8.823 -14.651 555 H2 HOH 361 H2 HOH 150 -0.807 -7.854 -13.877 556 H1 HOH 362 H1 HOH 63 4.653 -8.978 -4.015 557 H2 HOH 362 H2 HOH 63 3.668 -8.724 -5.138 558 H1 HOH 363 H1 HOH 74 0.697 2.691 10.387 559 H2 HOH 363 H2 HOH 74 2.163 3.049 10.514 560 H1 HOH 364 H1 HOH 41 -1.956 -8.440 -2.865 561 H2 HOH 364 H2 HOH 41 -0.528 -8.605 -3.343 562 H1 HOH 365 H1 HOH 52 -1.057 -10.622 -2.954 563 H2 HOH 365 H2 HOH 52 -0.073 -11.491 -3.710 564 H1 HOH 366 H1 HOH 140 -9.861 -4.684 -11.169 565 H2 HOH 366 H2 HOH 140 -8.700 -5.578 -10.794 566 H1 HOH 367 H1 HOH 72 10.058 8.001 9.660 567 H2 HOH 367 H2 HOH 72 8.983 7.926 10.723 568 H1 HOH 368 H1 HOH 91 16.243 -0.788 0.790 569 H2 HOH 368 H2 HOH 91 16.527 -1.958 1.709 570 H1 HOH 369 H1 HOH 130 -13.634 -2.104 -4.624 571 H2 HOH 369 H2 HOH 130 -13.777 -3.176 -5.688 572 H1 HOH 370 H1 HOH 94 16.330 1.352 -0.136 573 H2 HOH 370 H2 HOH 94 17.755 1.182 0.352 574 H1 HOH 371 H1 HOH 119 -14.476 1.233 -1.943 575 H2 HOH 371 H2 HOH 119 -14.205 2.331 -0.935 576 H1 HOH 372 H1 HOH 36 7.085 -8.025 -2.847 577 H2 HOH 372 H2 HOH 36 6.228 -7.397 -3.924 578 H1 HOH 373 H1 HOH 65 -0.774 -9.630 3.386 579 H2 HOH 373 H2 HOH 65 -1.061 -10.562 2.229 580 H1 HOH 374 H1 HOH 95 10.373 -3.665 -0.049 581 H2 HOH 374 H2 HOH 95 8.961 -4.046 0.335 582 H1 HOH 375 H1 HOH 149 -2.496 -9.633 -12.816 583 H2 HOH 375 H2 HOH 149 -3.928 -10.127 -12.784 584 H1 HOH 376 H1 HOH 192 9.085 14.241 4.412 585 H2 HOH 376 H2 HOH 192 10.060 13.750 3.364 586 H1 HOH 377 H1 HOH 155 5.729 7.682 -8.294 587 H2 HOH 377 H2 HOH 155 4.646 6.673 -8.635 588 H1 HOH 378 H1 HOH 142 -9.131 -9.415 -10.915 589 H2 HOH 378 H2 HOH 142 -9.307 -8.594 -9.656 590 H1 HOH 379 H1 HOH 118 -15.515 3.668 0.893 591 H2 HOH 379 H2 HOH 118 -14.330 4.286 0.181 592 H1 HOH 380 H1 HOH 179 -0.765 1.537 -13.633 593 H2 HOH 380 H2 HOH 179 -0.778 2.931 -13.044 594 H1 HOH 381 H1 HOH 110 -13.603 -8.218 -8.133 595 H2 HOH 381 H2 HOH 110 -13.841 -7.591 -9.490 596 H1 HOH 382 H1 HOH 33 -1.195 -9.031 5.756 597 H2 HOH 382 H2 HOH 33 -2.114 -10.165 5.352 598 H1 HOH 383 H1 HOH 131 -12.899 0.281 -3.609 599 H2 HOH 383 H2 HOH 131 -12.338 -0.325 -4.876 600 H1 HOH 384 H1 HOH 12 -10.917 -10.686 4.877 601 H2 HOH 384 H2 HOH 12 -10.597 -10.010 3.561 602 H1 HOH 385 H1 HOH 154 -6.148 3.797 -5.804 603 H2 HOH 385 H2 HOH 154 -7.295 4.206 -4.903 604 H1 HOH 386 H1 HOH 40 -3.568 -9.682 -1.565 605 H2 HOH 386 H2 HOH 40 -3.928 -9.818 -0.102 606 H1 HOH 387 H1 HOH 27 2.520 -10.920 -4.360 607 H2 HOH 387 H2 HOH 27 1.235 -10.150 -4.560 608 H1 HOH 388 H1 HOH 104 17.878 4.687 4.119 609 H2 HOH 388 H2 HOH 104 16.365 4.674 4.180 610 H1 HOH 389 H1 HOH 135 -13.511 -3.033 -8.103 611 H2 HOH 389 H2 HOH 135 -13.363 -4.519 -7.856 612 H1 HOH 390 H1 HOH 166 -2.987 1.575 -13.068 613 H2 HOH 390 H2 HOH 166 -4.291 1.884 -13.772 614 H1 HOH 391 H1 HOH 178 -5.335 3.120 -7.808 615 H2 HOH 391 H2 HOH 178 -6.387 3.249 -8.888 616 H1 HOH 392 H1 HOH 55 -2.849 -12.267 6.400 617 H2 HOH 392 H2 HOH 55 -3.286 -11.034 7.163 618 H1 HOH 393 H1 HOH 182 3.137 8.632 -6.328 619 H2 HOH 393 H2 HOH 182 3.834 7.335 -6.678 620 H1 HOH 394 H1 HOH 76 3.712 -0.270 10.234 621 H2 HOH 394 H2 HOH 76 3.878 -1.770 10.114 622 H1 HOH 395 H1 HOH 171 -2.810 4.767 -9.677 623 H2 HOH 395 H2 HOH 171 -3.828 3.783 -9.136 624 H1 HOH 396 H1 HOH 14 -8.486 -10.813 4.832 625 H2 HOH 396 H2 HOH 14 -7.851 -11.384 6.083 626 H1 HOH 397 H1 HOH 54 -5.982 -11.466 4.505 627 H2 HOH 397 H2 HOH 54 -4.516 -11.462 4.890 628 H1 HOH 398 H1 HOH 183 3.573 10.316 -7.936 629 H2 HOH 398 H2 HOH 183 3.109 11.141 -6.755 630 H1 HOH 399 H1 HOH 163 4.804 10.423 -5.676 631 H2 HOH 399 H2 HOH 163 6.207 10.106 -5.195 Start of MODEL 10 1 HA PRO 62 HA PRO 62 -10.339 -7.406 -4.038 2 HB2 PRO 62 HB2 PRO 62 -10.957 -5.009 -2.703 3 HB3 PRO 62 HB3 PRO 62 -11.326 -5.395 -4.406 4 HG2 PRO 62 HG2 PRO 62 -13.143 -5.719 -1.988 5 HG3 PRO 62 HG3 PRO 62 -13.517 -4.967 -3.565 6 HD2 PRO 62 HD2 PRO 62 -14.263 -7.493 -3.208 7 HD3 PRO 62 HD3 PRO 62 -13.389 -7.076 -4.707 8 H PHE 63 H PHE 63 -8.717 -6.151 -2.561 9 HA PHE 63 HA PHE 63 -8.471 -7.661 0.006 10 HB2 PHE 63 HB2 PHE 63 -6.713 -7.543 -2.081 11 HB3 PHE 63 HB3 PHE 63 -6.145 -6.182 -1.137 12 HD1 PHE 63 HD1 PHE 63 -7.177 -9.794 -0.838 13 HD2 PHE 63 HD2 PHE 63 -4.600 -6.669 0.655 14 HE1 PHE 63 HE1 PHE 63 -5.981 -11.446 0.574 15 HE2 PHE 63 HE2 PHE 63 -3.410 -8.336 2.062 16 HZ PHE 63 HZ PHE 63 -4.099 -10.719 2.017 17 H ALA 64 H ALA 64 -6.982 -6.258 1.616 18 HA ALA 64 HA ALA 64 -7.718 -3.386 1.591 19 HB1 ALA 64 HB1 ALA 64 -8.228 -5.220 3.971 20 HB2 ALA 64 HB2 ALA 64 -8.452 -3.453 3.929 21 HB3 ALA 64 HB3 ALA 64 -9.476 -4.498 2.925 22 H CYS 65 H CYS 65 -6.457 -2.066 3.025 23 HA CYS 65 HA CYS 65 -3.621 -2.921 3.143 24 HB2 CYS 65 HB2 CYS 65 -5.096 -0.311 3.572 25 HB3 CYS 65 HB3 CYS 65 -3.331 -0.480 3.641 26 H ASP 66 H ASP 66 -2.595 -3.460 4.986 27 HA ASP 66 HA ASP 66 -3.816 -3.260 7.552 28 HB2 ASP 66 HB2 ASP 66 -1.928 -4.800 6.652 29 HB3 ASP 66 HB3 ASP 66 -0.835 -3.505 7.029 30 H ILE 67 H ILE 67 -1.641 -1.076 5.856 31 HA ILE 67 HA ILE 67 -1.361 0.761 8.098 32 HB ILE 67 HB ILE 67 -0.528 0.895 5.192 33 HG12 ILE 67 2HG1 ILE 67 0.730 -0.737 6.525 34 HG13 ILE 67 3HG1 ILE 67 1.731 0.613 6.019 35 HG21 ILE 67 HG21 ILE 67 -0.024 2.961 7.368 36 HG22 ILE 67 HG22 ILE 67 0.892 2.867 5.854 37 HG23 ILE 67 HG23 ILE 67 -0.840 3.205 5.812 38 HD11 ILE 67 1HD1 ILE 67 0.627 0.219 8.832 39 HD12 ILE 67 2HD1 ILE 67 2.286 -0.057 8.290 40 HD13 ILE 67 3HD1 ILE 67 1.633 1.585 8.290 41 H CYS 68 H CYS 68 -2.983 1.251 4.874 42 HA CYS 68 HA CYS 68 -4.230 3.643 5.718 43 HB2 CYS 68 HB2 CYS 68 -4.962 1.729 3.450 44 HB3 CYS 68 HB3 CYS 68 -5.643 3.324 3.692 45 H GLY 69 H GLY 69 -5.299 0.282 6.147 46 HA2 GLY 69 HA2 GLY 69 -7.256 -0.671 6.895 47 HA3 GLY 69 HA3 GLY 69 -7.843 0.931 7.362 48 H ARG 70 H ARG 70 -7.227 1.657 4.357 49 HA ARG 70 HA ARG 70 -9.898 1.339 3.322 50 HB2 ARG 70 HB2 ARG 70 -7.272 2.321 2.141 51 HB3 ARG 70 HB3 ARG 70 -8.678 2.106 1.116 52 HG2 ARG 70 HG2 ARG 70 -8.462 4.417 1.796 53 HG3 ARG 70 HG3 ARG 70 -9.980 3.730 2.396 54 HD2 ARG 70 HD2 ARG 70 -9.126 3.589 4.648 55 HD3 ARG 70 HD3 ARG 70 -7.483 3.927 4.082 56 HE ARG 70 HE ARG 70 -9.243 6.107 3.410 57 HH11 ARG 70 1HH1 ARG 70 -9.016 8.009 4.459 58 HH12 ARG 70 2HH1 ARG 70 -8.457 8.059 6.125 59 HH21 ARG 70 1HH2 ARG 70 -7.387 4.781 6.147 60 HH22 ARG 70 2HH2 ARG 70 -7.285 6.404 6.869 61 H LYS 71 H LYS 71 -10.598 0.288 1.452 62 HA LYS 71 HA LYS 71 -9.480 -2.360 0.807 63 HB2 LYS 71 HB2 LYS 71 -11.727 -0.700 -0.394 64 HB3 LYS 71 HB3 LYS 71 -11.223 -2.263 -1.051 65 HG2 LYS 71 HG2 LYS 71 -11.721 -3.389 1.073 66 HG3 LYS 71 HG3 LYS 71 -12.188 -1.836 1.805 67 HD2 LYS 71 HD2 LYS 71 -13.932 -1.564 0.050 68 HD3 LYS 71 HD3 LYS 71 -13.548 -3.183 -0.581 69 HE2 LYS 71 HE2 LYS 71 -14.234 -4.230 1.506 70 HE3 LYS 71 HE3 LYS 71 -14.254 -2.666 2.324 71 HZ1 LYS 71 HZ1 LYS 71 -16.046 -2.078 0.583 72 HZ2 LYS 71 HZ2 LYS 71 -16.262 -3.707 0.441 73 HZ3 LYS 71 HZ3 LYS 71 -16.444 -2.990 1.901 74 H PHE 72 H PHE 72 -8.692 -2.995 -1.195 75 HA PHE 72 HA PHE 72 -8.512 -1.136 -3.392 76 HB2 PHE 72 HB2 PHE 72 -6.306 -0.885 -1.955 77 HB3 PHE 72 HB3 PHE 72 -5.879 -2.430 -2.686 78 HD1 PHE 72 HD1 PHE 72 -4.600 -2.307 -4.699 79 HD2 PHE 72 HD2 PHE 72 -7.269 0.929 -3.659 80 HE1 PHE 72 HE1 PHE 72 -3.798 -0.998 -6.648 81 HE2 PHE 72 HE2 PHE 72 -6.492 2.196 -5.651 82 HZ PHE 72 HZ PHE 72 -4.750 1.237 -7.134 83 H ALA 73 H ALA 73 -7.845 -2.316 -5.461 84 HA ALA 73 HA ALA 73 -9.574 -4.539 -5.529 85 HB1 ALA 73 HB1 ALA 73 -9.460 -2.960 -7.324 86 HB2 ALA 73 HB2 ALA 73 -7.782 -3.399 -7.684 87 HB3 ALA 73 HB3 ALA 73 -9.085 -4.577 -7.944 88 H ARG 74 H ARG 74 -6.280 -4.857 -6.916 89 HA ARG 74 HA ARG 74 -5.612 -7.240 -5.407 90 HB2 ARG 74 HB2 ARG 74 -7.360 -8.048 -7.122 91 HB3 ARG 74 HB3 ARG 74 -6.181 -7.727 -8.375 92 HG2 ARG 74 HG2 ARG 74 -5.862 -9.637 -6.020 93 HG3 ARG 74 HG3 ARG 74 -6.280 -10.078 -7.661 94 HD2 ARG 74 HD2 ARG 74 -4.028 -9.048 -8.358 95 HD3 ARG 74 HD3 ARG 74 -3.612 -9.077 -6.623 96 HE ARG 74 HE ARG 74 -4.294 -11.601 -6.847 97 HH11 ARG 74 1HH1 ARG 74 -2.620 -9.853 -9.335 98 HH12 ARG 74 2HH1 ARG 74 -1.879 -11.302 -9.955 99 HH21 ARG 74 1HH2 ARG 74 -3.247 -13.411 -7.674 100 HH22 ARG 74 2HH2 ARG 74 -2.046 -13.194 -8.913 101 H SER 75 H SER 75 -4.948 -6.145 -8.728 102 HA SER 75 HA SER 75 -3.441 -4.717 -9.561 103 HB2 SER 75 HB2 SER 75 -3.405 -3.544 -6.788 104 HB3 SER 75 HB3 SER 75 -3.357 -2.698 -8.344 105 HG SER 75 HG SER 75 -5.531 -3.216 -8.651 106 H1 OUD 76 H OUD 76 -1.777 -6.715 -9.534 107 HA OUD 76 HA OUD 76 0.775 -5.708 -8.355 108 HB3 OUD 76 HB3 OUD 76 0.494 -8.167 -8.346 109 HB2 OUD 76 HB2 OUD 76 0.288 -8.172 -10.094 110 HM3 OUD 76 HM3 OUD 76 1.770 -5.390 -10.559 111 HM2 OUD 76 HM2 OUD 76 0.290 -5.944 -11.355 112 HN2 OUD 76 HN2 OUD 76 -0.758 -3.899 -10.859 113 H OUE 77 H OUE 77 -0.914 -1.803 -10.134 114 HA OUE 77 HA OUE 77 1.575 -0.633 -8.985 115 HB3 OUE 77 HB3 OUE 77 0.327 0.307 -11.134 116 HB2 OUE 77 HB2 OUE 77 -0.788 0.994 -9.976 117 HG3 OUE 77 HG3 OUE 77 0.812 2.710 -10.352 118 HG2 OUE 77 HG2 OUE 77 1.318 2.042 -8.814 119 HM2 OUE 77 HM2 OUE 77 -1.240 -0.047 -7.943 120 HM3 OUE 77 HM3 OUE 77 0.286 0.542 -7.269 121 HN2 OUE 77 HN2 OUE 77 -0.016 -2.358 -7.369 122 H1 OUK 78 H OUK 78 -1.477 -3.439 -6.047 123 HA OUK 78 HA OUK 78 0.119 -2.882 -3.631 124 HB2 OUK 78 HB2 OUK 78 -0.884 -5.073 -2.716 125 HB3 OUK 78 HB3 OUK 78 -2.078 -4.990 -4.002 126 HG2 OUK 78 HG2 OUK 78 -2.727 -2.649 -3.031 127 HG3 OUK 78 HG3 OUK 78 -1.708 -3.070 -1.655 128 HD2 OUK 78 HD2 OUK 78 -3.137 -5.247 -1.441 129 HD3 OUK 78 HD3 OUK 78 -4.181 -4.568 -2.686 130 HE2 OUK 78 HE2 OUK 78 -5.281 -3.901 -0.686 131 HE3 OUK 78 HE3 OUK 78 -4.337 -2.458 -1.105 132 HZ3 OUK 78 HZ3 OUK 78 -3.891 -4.386 1.079 133 HZ1 OUK 78 HZ1 OUK 78 -3.983 -2.721 1.120 134 HZ2 OUK 78 HZ2 OUK 78 -2.610 -3.486 0.506 135 HM3 OUK 78 HM3 OUK 78 1.137 -5.063 -4.091 136 HM2 OUK 78 HM2 OUK 78 -0.055 -5.406 -5.352 137 HN2 OUK 78 HN2 OUK 78 1.011 -3.968 -6.833 138 H OUR 79 H OUR 79 2.740 -2.922 -7.657 139 HA OUR 79 HA OUR 79 4.807 -1.974 -5.719 140 HB3 OUR 79 HB3 OUR 79 5.243 -2.521 -8.694 141 HB2 OUR 79 HB2 OUR 79 6.445 -1.947 -7.541 142 HG3 OUR 79 HG3 OUR 79 6.273 -4.119 -6.281 143 HG2 OUR 79 HG2 OUR 79 5.056 -4.676 -7.429 144 HD3 OUR 79 HD3 OUR 79 6.827 -4.230 -9.296 145 HD2 OUR 79 HD2 OUR 79 8.003 -4.088 -7.979 146 HE OUR 79 HE OUR 79 7.918 -6.339 -7.625 147 HH12 OUR 79 2HH1 OUR 79 5.966 -8.897 -9.119 148 HH11 OUR 79 1HH1 OUR 79 7.179 -8.583 -7.936 149 HH22 OUR 79 2HH2 OUR 79 4.441 -7.017 -9.566 150 HM2 OUR 79 HM2 OUR 79 3.829 -0.606 -8.266 151 HM3 OUR 79 HM3 OUR 79 4.955 0.059 -7.072 152 HN2 OUR 79 HN2 OUR 79 2.048 -0.054 -6.935 153 HH21 OUR 79 1HH2 OUR 79 5.259 -5.541 -9.934 154 H OUH 80 H OUH 80 0.985 0.697 -5.152 155 HA OUH 80 HA OUH 80 2.680 1.838 -3.003 156 HB2 OUH 80 HB2 OUH 80 0.547 3.094 -4.154 157 HB3 OUH 80 HB3 OUH 80 1.195 3.423 -2.574 158 HD2 OUH 80 HD2 OUH 80 -0.387 3.203 -0.522 159 HD1 OUH 80 HD1 OUH 80 -1.775 1.230 -3.988 160 HE1 OUH 80 HE1 OUH 80 -3.557 1.135 -2.093 161 HM2 OUH 80 HM2 OUH 80 0.360 -0.092 -2.546 162 HM3 OUH 80 HM3 OUH 80 1.356 0.680 -1.293 163 HN2 OUH 80 HN2 OUH 80 2.566 -1.083 -3.361 164 H1 OUK 81 H OUK 81 4.070 -2.473 -2.706 165 HA OUK 81 HA OUK 81 5.293 -1.728 -0.096 166 HB2 OUK 81 HB2 OUK 81 6.685 -3.779 -0.223 167 HB3 OUK 81 HB3 OUK 81 5.851 -4.277 -1.693 168 HG2 OUK 81 HG2 OUK 81 3.684 -4.409 -0.396 169 HG3 OUK 81 HG3 OUK 81 4.555 -3.956 1.071 170 HD2 OUK 81 HD2 OUK 81 5.967 -6.035 0.850 171 HD3 OUK 81 HD3 OUK 81 5.155 -6.420 -0.661 172 HE2 OUK 81 HE2 OUK 81 4.123 -7.785 1.042 173 HE3 OUK 81 HE3 OUK 81 2.943 -6.550 0.577 174 HZ3 OUK 81 HZ3 OUK 81 3.591 -5.355 2.677 175 HZ1 OUK 81 HZ1 OUK 81 4.550 -6.658 3.080 176 HZ2 OUK 81 HZ2 OUK 81 2.897 -6.864 2.916 177 HM3 OUK 81 HM3 OUK 81 7.398 -1.515 -1.264 178 HM2 OUK 81 HM2 OUK 81 6.733 -2.248 -2.732 179 HN2 OUK 81 HN2 OUK 81 5.605 -0.257 -3.268 180 H OUI 82 H OUI 82 5.441 1.917 -3.326 181 HA OUI 82 HA OUI 82 6.252 3.383 -0.848 182 HB OUI 82 HB OUI 82 6.242 5.436 -2.247 183 3HG1 OUI 82 3HG1 OUI 82 6.077 3.539 -4.659 184 2HG1 OUI 82 2HG1 OUI 82 4.790 4.613 -4.138 185 1HG2 OUI 82 1HG2 OUI 82 8.235 3.327 -3.228 186 2HG2 OUI 82 2HG2 OUI 82 8.330 4.149 -1.660 187 3HG2 OUI 82 3HG2 OUI 82 8.490 5.078 -3.147 188 2HD1 OUI 82 2HD1 OUI 82 7.521 5.490 -5.181 189 3HD1 OUI 82 3HD1 OUI 82 6.305 6.589 -4.505 190 1HD1 OUI 82 1HD1 OUI 82 5.951 5.671 -5.973 191 HM2 OUI 82 HM2 OUI 82 3.713 3.880 -2.454 192 HM3 OUI 82 HM3 OUI 82 4.237 4.726 -0.992 193 HN2 OUI 82 HN2 OUI 82 3.610 1.809 -1.130 194 H OUH 83 H OUH 83 3.511 0.738 0.726 195 HA OUH 83 HA OUH 83 2.880 2.200 3.207 196 HB2 OUH 83 HB2 OUH 83 2.952 -0.088 4.231 197 HB3 OUH 83 HB3 OUH 83 3.411 -0.757 2.686 198 HD2 OUH 83 HD2 OUH 83 0.778 2.021 2.342 199 HD1 OUH 83 HD1 OUH 83 0.933 -2.165 2.900 200 HE1 OUH 83 HE1 OUH 83 -1.429 -1.415 2.112 201 HM2 OUH 83 HM2 OUH 83 4.937 1.254 4.361 202 HM3 OUH 83 HM3 OUH 83 5.176 2.629 3.275 203 HN2 OUH 83 HN2 OUH 83 5.760 0.775 1.557 204 H ARG 84 H ARG 84 7.878 0.813 0.978 205 HA ARG 84 HA ARG 84 9.937 0.192 2.955 206 HB2 ARG 84 HB2 ARG 84 10.072 -0.379 0.531 207 HB3 ARG 84 HB3 ARG 84 10.228 1.346 0.143 208 HG2 ARG 84 HG2 ARG 84 12.337 1.488 1.382 209 HG3 ARG 84 HG3 ARG 84 12.110 -0.152 2.011 210 HD2 ARG 84 HD2 ARG 84 12.180 -0.974 -0.388 211 HD3 ARG 84 HD3 ARG 84 12.674 0.664 -0.867 212 HE ARG 84 HE ARG 84 14.585 0.357 0.822 213 HH11 ARG 84 1HH1 ARG 84 16.137 -0.926 1.409 214 HH12 ARG 84 2HH1 ARG 84 16.431 -2.476 0.641 215 HH21 ARG 84 1HH2 ARG 84 13.578 -2.219 -1.304 216 HH22 ARG 84 2HH2 ARG 84 14.895 -3.255 -0.796 217 H LYS 85 H LYS 85 8.520 3.145 1.814 218 HA LYS 85 HA LYS 85 9.789 4.528 4.063 219 HB2 LYS 85 HB2 LYS 85 11.208 5.342 2.315 220 HB3 LYS 85 HB3 LYS 85 9.826 5.746 1.268 221 HG2 LYS 85 HG2 LYS 85 9.078 7.439 2.821 222 HG3 LYS 85 HG3 LYS 85 10.264 6.938 4.035 223 HD2 LYS 85 HD2 LYS 85 12.075 7.866 2.726 224 HD3 LYS 85 HD3 LYS 85 10.989 8.122 1.337 225 HE2 LYS 85 HE2 LYS 85 11.397 10.229 2.645 226 HE3 LYS 85 HE3 LYS 85 9.704 9.763 2.477 227 HZ1 LYS 85 HZ1 LYS 85 9.632 9.009 4.709 228 HZ2 LYS 85 HZ2 LYS 85 11.254 9.142 4.923 229 HZ3 LYS 85 HZ3 LYS 85 10.296 10.483 4.739 230 H ASP 86 H ASP 86 8.621 5.857 5.106 231 HA ASP 86 HA ASP 86 5.883 6.631 4.281 232 HB2 ASP 86 HB2 ASP 86 6.159 4.819 6.122 233 HB3 ASP 86 HB3 ASP 86 6.731 6.097 7.149 234 H1 HOH 201 H1 HOH 66 -2.188 -3.879 12.274 235 H2 HOH 201 H2 HOH 66 -2.811 -4.463 11.019 236 H1 HOH 202 H1 HOH 180 1.769 0.907 -14.398 237 H2 HOH 202 H2 HOH 180 1.617 1.195 -12.920 238 H1 HOH 203 H1 HOH 167 -4.278 2.746 1.525 239 H2 HOH 203 H2 HOH 167 -4.852 2.318 0.187 240 H1 HOH 204 H1 HOH 91 5.165 4.418 8.403 241 H2 HOH 204 H2 HOH 91 6.661 4.318 8.597 242 H1 HOH 205 H1 HOH 93 2.370 5.674 9.806 243 H2 HOH 205 H2 HOH 93 2.911 5.032 8.549 244 H1 HOH 206 H1 HOH 43 -0.254 -6.413 7.846 245 H2 HOH 206 H2 HOH 43 -0.782 -7.793 7.540 246 H1 HOH 207 H1 HOH 72 0.625 -5.531 9.625 247 H2 HOH 207 H2 HOH 72 1.498 -5.433 10.859 248 H1 HOH 208 H1 HOH 51 -4.470 -4.704 9.181 249 H2 HOH 208 H2 HOH 51 -5.427 -4.190 8.124 250 H1 HOH 209 H1 HOH 55 3.044 -7.424 -6.787 251 H2 HOH 209 H2 HOH 55 3.018 -6.233 -5.853 252 H1 HOH 210 H1 HOH 194 5.115 1.657 -9.198 253 H2 HOH 210 H2 HOH 194 6.408 1.457 -9.958 254 H1 HOH 211 H1 HOH 155 3.803 -6.698 -12.992 255 H2 HOH 211 H2 HOH 155 3.336 -6.651 -11.553 256 H1 HOH 212 H1 HOH 188 -6.709 -1.916 -10.061 257 H2 HOH 212 H2 HOH 188 -5.810 -2.916 -10.770 258 H1 HOH 213 H1 HOH 33 4.539 -10.314 -10.092 259 H2 HOH 213 H2 HOH 33 4.039 -8.987 -10.623 260 H1 HOH 214 H1 HOH 99 -2.343 2.601 9.338 261 H2 HOH 214 H2 HOH 99 -2.601 1.838 10.616 262 H1 HOH 215 H1 HOH 8 -11.946 -7.827 2.118 263 H2 HOH 215 H2 HOH 8 -11.256 -8.232 0.828 264 H1 HOH 216 H1 HOH 95 -4.210 -0.162 11.142 265 H2 HOH 216 H2 HOH 95 -3.693 0.240 9.779 266 H1 HOH 217 H1 HOH 140 -18.658 -4.109 0.735 267 H2 HOH 217 H2 HOH 140 -18.133 -5.521 0.907 268 H1 HOH 218 H1 HOH 38 -0.696 -5.268 0.167 269 H2 HOH 218 H2 HOH 38 -0.594 -4.960 1.644 270 H1 HOH 219 H1 HOH 123 13.391 -1.127 -3.277 271 H2 HOH 219 H2 HOH 123 12.053 -1.791 -3.539 272 H1 HOH 220 H1 HOH 109 16.082 -4.815 -2.284 273 H2 HOH 220 H2 HOH 109 16.237 -5.372 -0.883 274 H1 HOH 221 H1 HOH 26 -3.601 -15.903 -6.600 275 H2 HOH 221 H2 HOH 26 -3.578 -15.567 -8.076 276 H1 HOH 222 H1 HOH 193 5.900 6.199 1.428 277 H2 HOH 222 H2 HOH 193 5.904 7.145 0.240 278 H1 HOH 223 H1 HOH 4 -11.817 -11.142 -4.443 279 H2 HOH 223 H2 HOH 4 -12.449 -10.330 -5.557 280 H1 HOH 224 H1 HOH 32 -2.475 -11.270 -12.341 281 H2 HOH 224 H2 HOH 32 -3.350 -12.189 -11.516 282 H1 HOH 225 H1 HOH 70 -3.929 -2.835 11.503 283 H2 HOH 225 H2 HOH 70 -3.741 -2.009 10.247 284 H1 HOH 226 H1 HOH 82 6.293 -5.299 3.668 285 H2 HOH 226 H2 HOH 82 7.235 -6.277 2.995 286 H1 HOH 227 H1 HOH 153 -9.559 9.896 7.969 287 H2 HOH 227 H2 HOH 153 -8.979 8.520 8.222 288 H1 HOH 228 H1 HOH 122 15.470 1.133 3.220 289 H2 HOH 228 H2 HOH 122 16.821 0.812 2.616 290 H1 HOH 229 H1 HOH 192 -9.795 9.164 2.290 291 H2 HOH 229 H2 HOH 192 -8.469 8.482 2.546 292 H1 HOH 230 H1 HOH 41 7.903 -2.343 5.109 293 H2 HOH 230 H2 HOH 41 7.359 -1.337 4.117 294 H1 HOH 231 H1 HOH 6 -15.859 -3.761 3.944 295 H2 HOH 231 H2 HOH 6 -17.304 -3.581 4.351 296 H1 HOH 232 H1 HOH 49 -2.008 -6.979 9.136 297 H2 HOH 232 H2 HOH 49 -3.259 -7.824 9.023 298 H1 HOH 233 H1 HOH 22 -0.338 -14.173 -10.547 299 H2 HOH 233 H2 HOH 22 -1.570 -13.482 -11.097 300 H1 HOH 234 H1 HOH 114 17.455 -4.195 1.417 301 H2 HOH 234 H2 HOH 114 18.322 -3.753 0.251 302 H1 HOH 235 H1 HOH 132 -17.191 -0.580 -1.276 303 H2 HOH 235 H2 HOH 132 -15.735 -0.173 -1.177 304 H1 HOH 236 H1 HOH 36 -6.684 -12.338 -6.383 305 H2 HOH 236 H2 HOH 36 -5.772 -13.402 -5.808 306 H1 HOH 237 H1 HOH 40 5.548 -8.613 3.947 307 H2 HOH 237 H2 HOH 40 4.457 -8.749 4.988 308 H1 HOH 238 H1 HOH 85 6.997 -9.549 -6.062 309 H2 HOH 238 H2 HOH 85 7.956 -10.560 -6.666 310 H1 HOH 239 H1 HOH 2 -13.267 -10.577 -1.166 311 H2 HOH 239 H2 HOH 2 -13.095 -11.178 -2.546 312 H1 HOH 240 H1 HOH 58 1.792 -8.753 1.772 313 H2 HOH 240 H2 HOH 58 0.456 -8.555 2.455 314 H1 HOH 241 H1 HOH 159 -6.411 -6.556 -10.951 315 H2 HOH 241 H2 HOH 159 -5.174 -7.426 -10.840 316 H1 HOH 242 H1 HOH 46 2.261 -5.368 4.700 317 H2 HOH 242 H2 HOH 46 0.806 -5.775 4.775 318 H1 HOH 243 H1 HOH 67 3.397 -6.166 6.363 319 H2 HOH 243 H2 HOH 67 4.665 -5.832 5.604 320 H1 HOH 244 H1 HOH 107 15.095 3.122 0.435 321 H2 HOH 244 H2 HOH 107 14.717 2.488 -0.886 322 H1 HOH 245 H1 HOH 185 2.593 6.851 2.081 323 H2 HOH 245 H2 HOH 185 3.584 6.679 0.951 324 H1 HOH 246 H1 HOH 163 1.753 -4.002 -12.458 325 H2 HOH 246 H2 HOH 163 1.960 -3.181 -13.711 326 H1 HOH 247 H1 HOH 10 -14.661 -7.902 -0.242 327 H2 HOH 247 H2 HOH 10 -13.243 -8.056 0.273 328 H1 HOH 248 H1 HOH 142 -14.620 -0.568 3.835 329 H2 HOH 248 H2 HOH 142 -15.866 -1.419 3.678 330 H1 HOH 249 H1 HOH 116 16.823 1.432 -0.186 331 H2 HOH 249 H2 HOH 116 17.950 1.019 0.739 332 H1 HOH 250 H1 HOH 152 -10.207 4.738 8.094 333 H2 HOH 250 H2 HOH 152 -9.645 6.124 8.339 334 H1 HOH 251 H1 HOH 157 -1.560 -5.174 -13.172 335 H2 HOH 251 H2 HOH 157 -1.624 -3.668 -13.034 336 H1 HOH 252 H1 HOH 151 -7.851 6.719 9.918 337 H2 HOH 252 H2 HOH 151 -7.346 7.425 8.675 338 H1 HOH 253 H1 HOH 100 11.443 3.731 5.413 339 H2 HOH 253 H2 HOH 100 12.167 5.061 5.415 340 H1 HOH 254 H1 HOH 199 6.030 11.735 5.166 341 H2 HOH 254 H2 HOH 199 4.911 11.349 4.219 342 H1 HOH 255 H1 HOH 53 5.897 -3.131 3.940 343 H2 HOH 255 H2 HOH 53 4.650 -3.458 4.732 344 H1 HOH 256 H1 HOH 162 -5.062 -10.009 -10.818 345 H2 HOH 256 H2 HOH 162 -4.043 -9.276 -11.666 346 H1 HOH 257 H1 HOH 74 5.906 -8.250 -4.750 347 H2 HOH 257 H2 HOH 74 4.644 -8.180 -5.587 348 H1 HOH 258 H1 HOH 24 0.696 -12.434 -6.068 349 H2 HOH 258 H2 HOH 24 -0.682 -12.949 -5.726 350 H1 HOH 259 H1 HOH 21 -5.779 -11.967 -10.482 351 H2 HOH 259 H2 HOH 21 -5.039 -13.233 -10.859 352 H1 HOH 260 H1 HOH 104 7.856 -11.891 -8.424 353 H2 HOH 260 H2 HOH 104 7.398 -11.337 -9.762 354 H1 HOH 261 H1 HOH 149 -10.311 2.446 -1.002 355 H2 HOH 261 H2 HOH 149 -10.973 3.608 -0.288 356 H1 HOH 262 H1 HOH 134 -15.178 -3.035 -3.232 357 H2 HOH 262 H2 HOH 134 -15.885 -2.428 -2.037 358 H1 HOH 263 H1 HOH 3 -14.751 -9.966 -3.298 359 H2 HOH 263 H2 HOH 3 -15.996 -9.204 -3.716 360 H1 HOH 264 H1 HOH 113 15.924 -5.852 2.466 361 H2 HOH 264 H2 HOH 113 15.357 -4.449 2.500 362 H1 HOH 265 H1 HOH 187 -6.188 9.001 3.266 363 H2 HOH 265 H2 HOH 187 -6.323 9.624 1.894 364 H1 HOH 266 H1 HOH 69 -4.866 -7.231 10.551 365 H2 HOH 266 H2 HOH 69 -5.231 -6.553 9.249 366 H1 HOH 267 H1 HOH 129 -12.595 2.459 3.527 367 H2 HOH 267 H2 HOH 129 -13.121 1.679 2.335 368 H1 HOH 268 H1 HOH 20 -2.308 -15.435 -9.944 369 H2 HOH 268 H2 HOH 20 -2.473 -16.940 -9.910 370 H1 HOH 269 H1 HOH 115 13.916 -3.015 4.563 371 H2 HOH 269 H2 HOH 115 15.189 -2.702 3.806 372 H1 HOH 270 H1 HOH 145 -12.411 2.350 6.037 373 H2 HOH 270 H2 HOH 145 -12.290 2.082 7.523 374 H1 HOH 271 H1 HOH 147 -10.674 1.660 -3.883 375 H2 HOH 271 H2 HOH 147 -10.820 0.405 -4.716 376 H1 HOH 272 H1 HOH 174 -9.286 0.163 -6.610 377 H2 HOH 272 H2 HOH 174 -10.606 -0.517 -6.902 378 H1 HOH 273 H1 HOH 103 6.485 -10.177 -11.304 379 H2 HOH 273 H2 HOH 103 7.385 -10.848 -12.322 380 H1 HOH 274 H1 HOH 119 17.538 -2.003 3.831 381 H2 HOH 274 H2 HOH 119 17.075 -2.050 5.271 382 H1 HOH 275 H1 HOH 131 -19.576 -2.280 2.249 383 H2 HOH 275 H2 HOH 131 -20.581 -2.960 1.346 384 H1 HOH 276 H1 HOH 136 -11.184 6.997 2.176 385 H2 HOH 276 H2 HOH 136 -12.606 6.762 2.638 386 H1 HOH 277 H1 HOH 13 -12.303 -10.100 0.866 387 H2 HOH 277 H2 HOH 13 -13.087 -11.353 1.201 388 H1 HOH 278 H1 HOH 7 -15.358 -5.636 4.138 389 H2 HOH 278 H2 HOH 7 -14.045 -5.181 4.751 390 H1 HOH 279 H1 HOH 177 0.832 6.091 -1.501 391 H2 HOH 279 H2 HOH 177 2.167 6.212 -0.793 392 H1 HOH 280 H1 HOH 143 -12.497 0.332 4.059 393 H2 HOH 280 H2 HOH 143 -12.779 0.047 5.517 394 H1 HOH 281 H1 HOH 111 18.296 -0.429 -1.104 395 H2 HOH 281 H2 HOH 111 19.464 -0.468 -2.066 396 H1 HOH 282 H1 HOH 80 -4.824 -6.597 13.057 397 H2 HOH 282 H2 HOH 80 -4.104 -5.668 12.103 398 H1 HOH 283 H1 HOH 190 -0.078 2.334 -13.326 399 H2 HOH 283 H2 HOH 190 0.145 3.750 -12.843 400 H1 HOH 284 H1 HOH 139 -11.452 5.717 6.609 401 H2 HOH 284 H2 HOH 139 -12.540 6.669 6.165 402 H1 HOH 285 H1 HOH 144 -9.445 2.587 8.979 403 H2 HOH 285 H2 HOH 144 -10.213 2.280 7.709 404 H1 HOH 286 H1 HOH 120 18.754 -2.370 2.235 405 H2 HOH 286 H2 HOH 120 19.953 -2.173 3.138 406 H1 HOH 287 H1 HOH 79 9.314 -1.534 6.969 407 H2 HOH 287 H2 HOH 79 8.357 -2.632 7.376 408 H1 HOH 288 H1 HOH 31 4.384 -10.171 -6.137 409 H2 HOH 288 H2 HOH 31 3.914 -11.025 -7.297 410 H1 HOH 289 H1 HOH 92 0.419 4.704 9.288 411 H2 HOH 289 H2 HOH 92 -0.794 3.926 9.767 412 H1 HOH 290 H1 HOH 45 2.460 -6.448 8.610 413 H2 HOH 290 H2 HOH 45 1.635 -7.099 7.521 414 H1 HOH 291 H1 HOH 27 -7.724 -10.615 -9.945 415 H2 HOH 291 H2 HOH 27 -7.543 -11.648 -8.852 416 H1 HOH 292 H1 HOH 173 -5.650 4.369 -0.529 417 H2 HOH 292 H2 HOH 173 -6.718 3.543 -1.209 418 H1 HOH 293 H1 HOH 112 12.660 -2.988 2.925 419 H2 HOH 293 H2 HOH 112 12.073 -2.747 1.551 420 H1 HOH 294 H1 HOH 164 -2.067 -9.146 -12.894 421 H2 HOH 294 H2 HOH 164 -3.128 -9.521 -13.909 422 H1 HOH 295 H1 HOH 154 -3.725 -4.139 -12.136 423 H2 HOH 295 H2 HOH 154 -4.841 -4.896 -11.444 424 H1 HOH 296 H1 HOH 68 2.764 -10.355 1.401 425 H2 HOH 296 H2 HOH 68 3.430 -10.053 0.073 426 H1 HOH 297 H1 HOH 165 0.272 -8.486 -12.405 427 H2 HOH 297 H2 HOH 165 -0.418 -7.480 -13.302 428 H1 HOH 298 H1 HOH 35 5.396 -11.721 -8.873 429 H2 HOH 298 H2 HOH 35 4.154 -12.576 -9.034 430 H1 HOH 299 H1 HOH 160 0.520 -5.254 -13.843 431 H2 HOH 299 H2 HOH 160 0.025 -6.000 -15.064 432 H1 HOH 300 H1 HOH 25 -4.426 -15.412 -10.320 433 H2 HOH 300 H2 HOH 25 -5.718 -15.650 -11.072 434 H1 HOH 301 H1 HOH 117 18.816 -0.077 2.664 435 H2 HOH 301 H2 HOH 117 19.349 1.334 2.811 436 H1 HOH 302 H1 HOH 106 14.609 -5.057 -3.946 437 H2 HOH 302 H2 HOH 106 13.845 -5.137 -2.645 438 H1 HOH 303 H1 HOH 77 6.050 0.383 7.092 439 H2 HOH 303 H2 HOH 77 5.187 0.269 8.327 440 H1 HOH 304 H1 HOH 195 -8.956 3.368 -3.365 441 H2 HOH 304 H2 HOH 195 -9.207 3.484 -4.852 442 H1 HOH 305 H1 HOH 108 18.666 -2.745 -1.552 443 H2 HOH 305 H2 HOH 108 19.434 -3.984 -1.961 444 H1 HOH 306 H1 HOH 133 -17.508 -5.282 -1.278 445 H2 HOH 306 H2 HOH 133 -16.489 -4.814 -2.296 446 H1 HOH 307 H1 HOH 98 11.433 5.908 7.355 447 H2 HOH 307 H2 HOH 98 10.891 6.854 8.409 448 H1 HOH 308 H1 HOH 94 -0.190 -2.214 12.390 449 H2 HOH 308 H2 HOH 94 -0.757 -2.687 13.710 450 H1 HOH 309 H1 HOH 87 8.759 7.545 9.015 451 H2 HOH 309 H2 HOH 87 9.278 7.179 10.389 452 H1 HOH 310 H1 HOH 81 -5.175 -11.284 -4.012 453 H2 HOH 310 H2 HOH 81 -6.324 -10.369 -3.656 454 H1 HOH 311 H1 HOH 130 -15.378 1.446 1.110 455 H2 HOH 311 H2 HOH 130 -14.855 0.431 2.104 456 H1 HOH 312 H1 HOH 128 -14.711 -10.669 -6.988 457 H2 HOH 312 H2 HOH 128 -14.548 -10.162 -5.570 458 H1 HOH 313 H1 HOH 19 -11.316 -11.885 -0.406 459 H2 HOH 313 H2 HOH 19 -10.153 -12.857 -0.353 460 H1 HOH 314 H1 HOH 186 -6.463 0.229 -9.812 461 H2 HOH 314 H2 HOH 186 -7.942 0.382 -10.097 462 H1 HOH 315 H1 HOH 61 -1.116 -11.643 -3.221 463 H2 HOH 315 H2 HOH 61 -0.275 -11.414 -4.460 464 H1 HOH 316 H1 HOH 127 14.107 6.423 4.194 465 H2 HOH 316 H2 HOH 127 12.932 6.946 4.992 466 H1 HOH 317 H1 HOH 171 -1.218 7.269 -1.273 467 H2 HOH 317 H2 HOH 171 -0.693 6.464 -0.103 468 H1 HOH 318 H1 HOH 86 -6.068 -2.404 10.696 469 H2 HOH 318 H2 HOH 86 -6.461 -3.705 10.035 470 H1 HOH 319 H1 HOH 161 -9.035 -6.036 -10.002 471 H2 HOH 319 H2 HOH 161 -10.345 -6.432 -9.351 472 H1 HOH 320 H1 HOH 5 -11.523 -12.509 -2.488 473 H2 HOH 320 H2 HOH 5 -12.352 -13.376 -3.413 474 H1 HOH 321 H1 HOH 168 -8.386 5.361 -2.150 475 H2 HOH 321 H2 HOH 168 -8.879 4.071 -1.527 476 H1 HOH 322 H1 HOH 16 -8.690 0.658 10.241 477 H2 HOH 322 H2 HOH 16 -7.645 1.738 10.417 478 H1 HOH 323 H1 HOH 23 1.857 -15.272 -7.397 479 H2 HOH 323 H2 HOH 23 0.791 -14.199 -7.465 480 H1 HOH 324 H1 HOH 156 -8.558 -4.259 -11.585 481 H2 HOH 324 H2 HOH 156 -7.666 -4.067 -10.380 482 H1 HOH 325 H1 HOH 89 1.893 2.235 10.976 483 H2 HOH 325 H2 HOH 89 2.557 3.329 10.162 484 H1 HOH 326 H1 HOH 197 3.228 12.173 7.414 485 H2 HOH 326 H2 HOH 197 4.389 11.672 6.584 486 H1 HOH 327 H1 HOH 56 2.337 -10.853 3.816 487 H2 HOH 327 H2 HOH 56 3.644 -10.188 3.437 488 H1 HOH 328 H1 HOH 59 0.626 -8.159 -1.348 489 H2 HOH 328 H2 HOH 59 1.845 -8.663 -0.600 490 H1 HOH 329 H1 HOH 34 -8.980 -11.470 -6.932 491 H2 HOH 329 H2 HOH 34 -8.877 -12.874 -7.488 492 H1 HOH 330 H1 HOH 191 7.670 7.931 -1.437 493 H2 HOH 330 H2 HOH 191 6.326 8.363 -1.978 494 H1 HOH 331 H1 HOH 198 -2.392 6.921 9.957 495 H2 HOH 331 H2 HOH 198 -1.727 5.991 8.966 496 H1 HOH 332 H1 HOH 14 -17.409 -6.534 3.285 497 H2 HOH 332 H2 HOH 14 -17.557 -6.747 4.777 498 H1 HOH 333 H1 HOH 179 1.962 5.669 -3.408 499 H2 HOH 333 H2 HOH 179 2.408 6.476 -4.611 500 H1 HOH 334 H1 HOH 166 -2.955 5.232 -6.622 501 H2 HOH 334 H2 HOH 166 -2.556 5.211 -5.163 502 H1 HOH 335 H1 HOH 97 5.422 2.238 9.373 503 H2 HOH 335 H2 HOH 97 4.154 1.768 10.056 504 H1 HOH 336 H1 HOH 172 0.912 6.643 1.266 505 H2 HOH 336 H2 HOH 172 -0.086 6.649 2.404 506 H1 HOH 337 H1 HOH 105 16.727 -3.941 -4.370 507 H2 HOH 337 H2 HOH 105 16.932 -5.413 -4.656 508 H1 HOH 338 H1 HOH 9 -11.978 -6.343 4.091 509 H2 HOH 338 H2 HOH 9 -13.083 -5.943 3.142 510 H1 HOH 339 H1 HOH 12 -18.792 -7.784 1.737 511 H2 HOH 339 H2 HOH 12 -17.463 -7.468 1.081 512 H1 HOH 340 H1 HOH 37 1.468 -8.879 4.330 513 H2 HOH 340 H2 HOH 37 1.230 -9.065 5.815 514 H1 HOH 341 H1 HOH 101 9.890 0.520 8.041 515 H2 HOH 341 H2 HOH 101 10.956 -0.409 8.578 516 H1 HOH 342 H1 HOH 73 2.210 -8.066 -4.544 517 H2 HOH 342 H2 HOH 73 1.835 -8.234 -3.083 518 H1 HOH 343 H1 HOH 54 3.716 -8.054 7.138 519 H2 HOH 343 H2 HOH 54 4.739 -9.126 7.456 520 H1 HOH 344 H1 HOH 141 -15.608 -5.199 -6.083 521 H2 HOH 344 H2 HOH 141 -14.722 -4.173 -5.410 522 H1 HOH 345 H1 HOH 83 10.076 -3.427 2.777 523 H2 HOH 345 H2 HOH 83 8.653 -3.245 3.272 524 H1 HOH 346 H1 HOH 18 -7.561 -5.024 8.539 525 H2 HOH 346 H2 HOH 18 -8.240 -3.729 8.928 526 H1 HOH 347 H1 HOH 148 -12.551 -0.096 -3.375 527 H2 HOH 347 H2 HOH 148 -13.810 0.102 -2.556 528 H1 HOH 348 H1 HOH 137 -12.659 4.368 5.144 529 H2 HOH 348 H2 HOH 137 -14.024 3.725 5.034 530 H1 HOH 349 H1 HOH 102 9.456 -13.057 -7.029 531 H2 HOH 349 H2 HOH 102 9.933 -11.625 -7.165 532 H1 HOH 350 H1 HOH 138 -12.176 4.803 1.275 533 H2 HOH 350 H2 HOH 138 -12.214 3.320 1.590 534 H1 HOH 351 H1 HOH 121 9.314 -9.061 -5.607 535 H2 HOH 351 H2 HOH 121 9.833 -8.039 -4.616 536 H1 HOH 352 H1 HOH 30 2.223 -11.040 -5.581 537 H2 HOH 352 H2 HOH 30 1.422 -10.125 -4.678 538 H1 HOH 353 H1 HOH 44 9.478 -6.790 2.346 539 H2 HOH 353 H2 HOH 44 8.928 -5.385 2.205 540 H1 HOH 354 H1 HOH 1 -18.107 -8.182 -3.603 541 H2 HOH 354 H2 HOH 1 -17.235 -7.176 -2.879 542 H1 HOH 355 H1 HOH 42 6.818 -8.241 -2.732 543 H2 HOH 355 H2 HOH 42 7.253 -6.795 -2.833 544 H1 HOH 356 H1 HOH 135 -14.930 2.078 -2.066 545 H2 HOH 356 H2 HOH 135 -14.187 1.607 -0.832 546 H1 HOH 357 H1 HOH 15 -16.554 -7.024 -0.892 547 H2 HOH 357 H2 HOH 15 -16.767 -8.512 -1.052 548 H1 HOH 358 H1 HOH 48 -1.904 -8.827 -1.918 549 H2 HOH 358 H2 HOH 48 -0.803 -8.634 -2.943 550 H1 HOH 359 H1 HOH 57 4.815 -1.740 6.900 551 H2 HOH 359 H2 HOH 57 4.024 -2.886 7.492 552 H1 HOH 360 H1 HOH 88 -0.488 1.902 11.047 553 H2 HOH 360 H2 HOH 88 0.017 2.079 12.463 554 H1 HOH 361 H1 HOH 184 -5.184 2.116 -9.424 555 H2 HOH 361 H2 HOH 184 -4.400 1.511 -10.568 556 H1 HOH 362 H1 HOH 29 -2.859 -13.369 -3.685 557 H2 HOH 362 H2 HOH 29 -2.770 -12.761 -2.303 558 H1 HOH 363 H1 HOH 96 0.800 -0.037 11.831 559 H2 HOH 363 H2 HOH 96 1.979 -0.988 11.843 560 H1 HOH 364 H1 HOH 150 -13.065 -3.030 -8.054 561 H2 HOH 364 H2 HOH 150 -13.450 -3.938 -6.906 562 H1 HOH 365 H1 HOH 124 10.692 -1.795 -5.804 563 H2 HOH 365 H2 HOH 124 11.092 -2.987 -4.958 564 H1 HOH 366 H1 HOH 125 12.688 -8.637 -9.356 565 H2 HOH 366 H2 HOH 125 11.417 -9.287 -9.858 566 H1 HOH 367 H1 HOH 47 -4.166 -9.909 -2.418 567 H2 HOH 367 H2 HOH 47 -4.031 -9.608 -0.940 568 H1 HOH 368 H1 HOH 52 4.818 -11.408 -1.259 569 H2 HOH 368 H2 HOH 52 5.659 -10.159 -1.105 570 H1 HOH 369 H1 HOH 17 -8.057 -1.655 10.583 571 H2 HOH 369 H2 HOH 17 -9.229 -1.431 11.515 572 H1 HOH 370 H1 HOH 126 11.619 -5.331 -5.752 573 H2 HOH 370 H2 HOH 126 12.231 -4.846 -4.455 574 H1 HOH 371 H1 HOH 181 2.271 6.974 -6.649 575 H2 HOH 371 H2 HOH 181 1.996 5.487 -6.684 576 H1 HOH 372 H1 HOH 110 11.053 -9.963 -6.197 577 H2 HOH 372 H2 HOH 110 11.556 -10.008 -7.626 578 H1 HOH 373 H1 HOH 158 -9.158 -9.281 -11.127 579 H2 HOH 373 H2 HOH 158 -8.950 -8.388 -9.923 580 H1 HOH 374 H1 HOH 28 -8.080 -13.253 -0.876 581 H2 HOH 374 H2 HOH 28 -8.639 -12.694 -2.164 582 H1 HOH 375 H1 HOH 176 3.617 6.688 -8.146 583 H2 HOH 375 H2 HOH 176 4.461 6.697 -9.402 584 H1 HOH 376 H1 HOH 169 -5.020 4.850 -5.538 585 H2 HOH 376 H2 HOH 169 -6.011 4.755 -4.399 586 H1 HOH 377 H1 HOH 118 8.973 -5.387 -1.539 587 H2 HOH 377 H2 HOH 118 8.432 -6.101 -0.318 588 H1 HOH 378 H1 HOH 178 -2.125 2.942 -12.392 589 H2 HOH 378 H2 HOH 178 -3.444 2.506 -12.989 590 H1 HOH 379 H1 HOH 146 -13.843 -1.832 -4.094 591 H2 HOH 379 H2 HOH 146 -13.661 -2.493 -5.444 592 H1 HOH 380 H1 HOH 84 -8.770 -14.500 0.968 593 H2 HOH 380 H2 HOH 84 -8.583 -13.056 1.377 594 H1 HOH 381 H1 HOH 11 -12.627 -6.034 6.687 595 H2 HOH 381 H2 HOH 11 -12.050 -4.757 6.118 596 H1 HOH 382 H1 HOH 39 -0.445 -9.945 4.228 597 H2 HOH 382 H2 HOH 39 -1.901 -10.369 4.200 598 H1 HOH 383 H1 HOH 78 -8.544 -12.148 3.613 599 H2 HOH 383 H2 HOH 78 -7.145 -12.025 3.058 600 H1 HOH 384 H1 HOH 182 -1.239 5.557 -8.369 601 H2 HOH 384 H2 HOH 182 -2.579 5.186 -8.970 602 H1 HOH 385 H1 HOH 75 7.856 -9.284 -0.909 603 H2 HOH 385 H2 HOH 75 7.913 -10.106 -2.179 604 H1 HOH 386 H1 HOH 71 -2.353 -10.923 -1.545 605 H2 HOH 386 H2 HOH 71 -1.264 -11.346 -0.582 606 H1 HOH 387 H1 HOH 76 -1.286 -11.943 1.354 607 H2 HOH 387 H2 HOH 76 -1.122 -10.589 2.013 608 H1 HOH 388 H1 HOH 189 -5.248 4.086 -7.764 609 H2 HOH 388 H2 HOH 189 -4.575 4.131 -9.121 610 H1 HOH 389 H1 HOH 196 2.759 8.875 -4.884 611 H2 HOH 389 H2 HOH 196 3.836 8.206 -5.710 612 H1 HOH 390 H1 HOH 63 -5.545 -12.759 4.139 613 H2 HOH 390 H2 HOH 63 -4.872 -11.424 4.371 614 H1 HOH 391 H1 HOH 183 -3.695 5.581 -11.086 615 H2 HOH 391 H2 HOH 183 -3.326 4.117 -10.986 616 H1 HOH 392 H1 HOH 175 5.783 8.937 -4.552 617 H2 HOH 392 H2 HOH 175 7.168 9.248 -4.027 618 H1 HOH 393 H1 HOH 65 -4.634 -13.650 -1.648 619 H2 HOH 393 H2 HOH 65 -6.109 -13.444 -1.372 620 H1 HOH 394 H1 HOH 64 -2.975 -12.189 5.491 621 H2 HOH 394 H2 HOH 64 -3.258 -10.853 6.142 622 H1 HOH 395 H1 HOH 90 4.634 -0.018 10.686 623 H2 HOH 395 H2 HOH 90 5.110 -0.624 11.987 624 H1 HOH 396 H1 HOH 170 6.298 8.793 -6.693 625 H2 HOH 396 H2 HOH 170 5.088 8.062 -7.239 626 H1 HOH 397 H1 HOH 60 -1.143 -14.418 0.507 627 H2 HOH 397 H2 HOH 60 -1.796 -13.257 -0.212 628 H1 HOH 398 H1 HOH 62 -3.387 -14.078 1.350 629 H2 HOH 398 H2 HOH 62 -4.755 -14.111 0.701 630 H1 HOH 399 H1 HOH 50 -4.856 -14.413 3.131 631 H2 HOH 399 H2 HOH 50 -5.330 -15.379 4.198
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