USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 16 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl 157:sc= -0.13 (180deg=-1.02) USER MOD Single : X 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 34.234 -10.955 15.952 1.00 0.00 N ATOM 61 CA LEU X 6 33.610 -9.974 15.071 1.00 0.00 C ATOM 62 C LEU X 6 34.328 -9.941 13.729 1.00 0.00 C ATOM 63 O LEU X 6 34.985 -8.957 13.391 1.00 0.00 O ATOM 64 CB LEU X 6 33.654 -8.585 15.715 1.00 0.00 C ATOM 65 CG LEU X 6 32.988 -8.637 17.092 1.00 0.00 C ATOM 66 CD1 LEU X 6 33.089 -7.265 17.760 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.514 -9.016 16.934 1.00 0.00 C ATOM 0 HA LEU X 6 32.571 -10.261 14.911 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.687 -8.250 15.812 1.00 0.00 H new ATOM 0 HB3 LEU X 6 33.143 -7.862 15.080 1.00 0.00 H new ATOM 0 HG LEU X 6 33.491 -9.381 17.709 1.00 0.00 H new ATOM 0 HD11 LEU X 6 32.615 -7.302 18.741 1.00 0.00 H new ATOM 0 HD12 LEU X 6 34.138 -6.992 17.874 1.00 0.00 H new ATOM 0 HD13 LEU X 6 32.586 -6.521 17.142 1.00 0.00 H new ATOM 0 HD21 LEU X 6 31.041 -9.053 17.915 1.00 0.00 H new ATOM 0 HD22 LEU X 6 31.011 -8.272 16.316 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.439 -9.994 16.458 1.00 0.00 H new ATOM 79 N CYS X 7 34.217 -11.031 12.974 1.00 0.00 N ATOM 80 CA CYS X 7 34.872 -11.113 11.674 1.00 0.00 C ATOM 81 C CYS X 7 33.878 -11.552 10.599 1.00 0.00 C ATOM 82 O CYS X 7 33.779 -12.733 10.269 1.00 0.00 O ATOM 83 CB CYS X 7 36.031 -12.110 11.744 1.00 0.00 C ATOM 84 SG CYS X 7 37.337 -11.608 10.594 1.00 0.00 S ATOM 0 H CYS X 7 33.685 -11.861 13.237 1.00 0.00 H new ATOM 0 HA CYS X 7 35.255 -10.126 11.412 1.00 0.00 H new ATOM 0 HB2 CYS X 7 36.424 -12.154 12.760 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.678 -13.111 11.495 1.00 0.00 H new ATOM 89 N GLY X 8 33.143 -10.588 10.053 1.00 0.00 N ATOM 90 CA GLY X 8 32.162 -10.890 9.018 1.00 0.00 C ATOM 91 C GLY X 8 30.942 -9.983 9.142 1.00 0.00 C ATOM 92 O GLY X 8 31.064 -8.789 9.420 1.00 0.00 O ATOM 0 H GLY X 8 33.207 -9.602 10.307 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.615 -10.764 8.035 1.00 0.00 H new ATOM 0 HA3 GLY X 8 31.854 -11.933 9.096 1.00 0.00 H new ATOM 96 N ALA X 9 29.766 -10.563 8.934 1.00 0.00 N ATOM 97 CA ALA X 9 28.524 -9.807 9.023 1.00 0.00 C ATOM 98 C ALA X 9 28.357 -9.217 10.419 1.00 0.00 C ATOM 99 O ALA X 9 27.820 -8.124 10.575 1.00 0.00 O ATOM 100 CB ALA X 9 27.329 -10.706 8.705 1.00 0.00 C ATOM 0 H ALA X 9 29.647 -11.549 8.704 1.00 0.00 H new ATOM 0 HA ALA X 9 28.567 -8.997 8.295 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.409 -10.126 8.776 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.431 -11.103 7.695 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.294 -11.530 9.417 1.00 0.00 H new ATOM 106 N GLU X 10 28.800 -9.957 11.430 1.00 0.00 N ATOM 107 CA GLU X 10 28.671 -9.498 12.807 1.00 0.00 C ATOM 108 C GLU X 10 29.408 -8.177 13.002 1.00 0.00 C ATOM 109 O GLU X 10 28.900 -7.264 13.653 1.00 0.00 O ATOM 110 CB GLU X 10 29.252 -10.549 13.757 1.00 0.00 C ATOM 111 CG GLU X 10 28.340 -11.779 13.778 1.00 0.00 C ATOM 112 CD GLU X 10 29.003 -12.907 14.563 1.00 0.00 C ATOM 113 OE1 GLU X 10 30.197 -12.817 14.797 1.00 0.00 O ATOM 114 OE2 GLU X 10 28.305 -13.842 14.919 1.00 0.00 O ATOM 0 H GLU X 10 29.247 -10.868 11.323 1.00 0.00 H new ATOM 0 HA GLU X 10 27.614 -9.348 13.026 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.254 -10.832 13.434 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.345 -10.135 14.761 1.00 0.00 H new ATOM 0 HG2 GLU X 10 27.382 -11.524 14.231 1.00 0.00 H new ATOM 0 HG3 GLU X 10 28.134 -12.106 12.759 1.00 0.00 H new ATOM 121 N LEU X 11 30.599 -8.072 12.428 1.00 0.00 N ATOM 122 CA LEU X 11 31.379 -6.847 12.543 1.00 0.00 C ATOM 123 C LEU X 11 30.650 -5.683 11.884 1.00 0.00 C ATOM 124 O LEU X 11 30.522 -4.606 12.467 1.00 0.00 O ATOM 125 CB LEU X 11 32.745 -7.039 11.883 1.00 0.00 C ATOM 126 CG LEU X 11 33.545 -5.733 11.950 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.778 -5.347 13.413 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.892 -5.921 11.249 1.00 0.00 C ATOM 0 H LEU X 11 31.043 -8.812 11.884 1.00 0.00 H new ATOM 0 HA LEU X 11 31.514 -6.620 13.601 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.292 -7.837 12.385 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.617 -7.344 10.845 1.00 0.00 H new ATOM 0 HG LEU X 11 32.985 -4.941 11.453 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.347 -4.418 13.458 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.818 -5.209 13.910 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.335 -6.139 13.914 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.460 -4.992 11.297 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.452 -6.715 11.744 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.725 -6.190 10.206 1.00 0.00 H new ATOM 140 N VAL X 12 30.169 -5.907 10.663 1.00 0.00 N ATOM 141 CA VAL X 12 29.451 -4.866 9.937 1.00 0.00 C ATOM 142 C VAL X 12 28.209 -4.434 10.708 1.00 0.00 C ATOM 143 O VAL X 12 27.933 -3.242 10.856 1.00 0.00 O ATOM 144 CB VAL X 12 29.048 -5.385 8.556 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.994 -4.458 7.947 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.279 -5.399 7.643 1.00 0.00 C ATOM 0 H VAL X 12 30.262 -6.790 10.161 1.00 0.00 H new ATOM 0 HA VAL X 12 30.108 -4.003 9.824 1.00 0.00 H new ATOM 0 HB VAL X 12 28.642 -6.392 8.654 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.708 -4.829 6.963 1.00 0.00 H new ATOM 0 HG12 VAL X 12 27.117 -4.430 8.593 1.00 0.00 H new ATOM 0 HG13 VAL X 12 28.405 -3.453 7.850 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.997 -5.768 6.657 1.00 0.00 H new ATOM 0 HG22 VAL X 12 30.676 -4.388 7.552 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.041 -6.051 8.070 1.00 0.00 H new ATOM 156 N ASP X 13 27.464 -5.416 11.199 1.00 0.00 N ATOM 157 CA ASP X 13 26.252 -5.140 11.956 1.00 0.00 C ATOM 158 C ASP X 13 26.585 -4.374 13.232 1.00 0.00 C ATOM 159 O ASP X 13 25.860 -3.464 13.632 1.00 0.00 O ATOM 160 CB ASP X 13 25.540 -6.448 12.304 1.00 0.00 C ATOM 161 CG ASP X 13 24.911 -7.051 11.054 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.859 -6.360 10.050 1.00 0.00 O ATOM 163 OD2 ASP X 13 24.488 -8.193 11.120 1.00 0.00 O ATOM 0 H ASP X 13 27.677 -6.407 11.087 1.00 0.00 H new ATOM 0 HA ASP X 13 25.591 -4.528 11.342 1.00 0.00 H new ATOM 0 HB2 ASP X 13 26.249 -7.152 12.740 1.00 0.00 H new ATOM 0 HB3 ASP X 13 24.771 -6.264 13.055 1.00 0.00 H new ATOM 168 N ALA X 14 27.693 -4.749 13.869 1.00 0.00 N ATOM 169 CA ALA X 14 28.114 -4.091 15.099 1.00 0.00 C ATOM 170 C ALA X 14 28.393 -2.615 14.845 1.00 0.00 C ATOM 171 O ALA X 14 28.041 -1.762 15.661 1.00 0.00 O ATOM 172 CB ALA X 14 29.371 -4.765 15.650 1.00 0.00 C ATOM 0 H ALA X 14 28.309 -5.499 13.555 1.00 0.00 H new ATOM 0 HA ALA X 14 27.310 -4.177 15.830 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.678 -4.266 16.569 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.160 -5.814 15.859 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.173 -4.696 14.915 1.00 0.00 H new ATOM 178 N LEU X 15 29.021 -2.317 13.711 1.00 0.00 N ATOM 179 CA LEU X 15 29.332 -0.936 13.364 1.00 0.00 C ATOM 180 C LEU X 15 28.055 -0.119 13.227 1.00 0.00 C ATOM 181 O LEU X 15 27.976 1.007 13.719 1.00 0.00 O ATOM 182 CB LEU X 15 30.111 -0.899 12.045 1.00 0.00 C ATOM 183 CG LEU X 15 31.541 -1.390 12.276 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.194 -1.718 10.932 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.347 -0.283 12.963 1.00 0.00 C ATOM 0 H LEU X 15 29.322 -3.007 13.023 1.00 0.00 H new ATOM 0 HA LEU X 15 29.939 -0.504 14.160 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.617 -1.525 11.302 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.125 0.116 11.648 1.00 0.00 H new ATOM 0 HG LEU X 15 31.522 -2.282 12.901 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.213 -2.068 11.098 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.621 -2.497 10.429 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.214 -0.823 10.309 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.368 -0.627 13.131 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.362 0.603 12.329 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.885 -0.037 13.919 1.00 0.00 H new ATOM 197 N GLN X 16 27.053 -0.696 12.571 1.00 0.00 N ATOM 198 CA GLN X 16 25.779 -0.013 12.391 1.00 0.00 C ATOM 199 C GLN X 16 25.078 0.162 13.732 1.00 0.00 C ATOM 200 O GLN X 16 24.504 1.209 14.009 1.00 0.00 O ATOM 201 CB GLN X 16 24.888 -0.811 11.440 1.00 0.00 C ATOM 202 CG GLN X 16 23.605 -0.027 11.169 1.00 0.00 C ATOM 203 CD GLN X 16 22.711 -0.806 10.211 1.00 0.00 C ATOM 204 OE1 GLN X 16 22.362 -1.956 10.482 1.00 0.00 O ATOM 205 NE2 GLN X 16 22.315 -0.248 9.100 1.00 0.00 N ATOM 0 H GLN X 16 27.098 -1.628 12.158 1.00 0.00 H new ATOM 0 HA GLN X 16 25.968 0.971 11.962 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.415 -1.002 10.505 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.649 -1.781 11.876 1.00 0.00 H new ATOM 0 HG2 GLN X 16 23.077 0.157 12.105 1.00 0.00 H new ATOM 0 HG3 GLN X 16 23.847 0.947 10.743 1.00 0.00 H new ATOM 0 HE21 GLN X 16 22.604 0.704 8.876 1.00 0.00 H new ATOM 0 HE22 GLN X 16 21.716 -0.764 8.455 1.00 0.00 H new ATOM 214 N PHE X 17 25.133 -0.871 14.562 1.00 0.00 N ATOM 215 CA PHE X 17 24.506 -0.816 15.877 1.00 0.00 C ATOM 216 C PHE X 17 25.103 0.305 16.719 1.00 0.00 C ATOM 217 O PHE X 17 24.376 1.098 17.321 1.00 0.00 O ATOM 218 CB PHE X 17 24.701 -2.149 16.602 1.00 0.00 C ATOM 219 CG PHE X 17 24.289 -2.007 18.048 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.949 -2.183 18.422 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.251 -1.686 19.018 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.572 -2.046 19.765 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.872 -1.549 20.359 1.00 0.00 C ATOM 224 CZ PHE X 17 23.534 -1.728 20.732 1.00 0.00 C ATOM 0 H PHE X 17 25.602 -1.752 14.351 1.00 0.00 H new ATOM 0 HA PHE X 17 23.443 -0.622 15.738 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.108 -2.926 16.120 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.744 -2.459 16.540 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.207 -2.424 17.675 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.282 -1.545 18.731 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.541 -2.186 20.054 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.612 -1.305 21.107 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.244 -1.621 21.767 1.00 0.00 H new ATOM 234 N VAL X 18 26.429 0.350 16.777 1.00 0.00 N ATOM 235 CA VAL X 18 27.114 1.364 17.571 1.00 0.00 C ATOM 236 C VAL X 18 26.812 2.763 17.042 1.00 0.00 C ATOM 237 O VAL X 18 26.517 3.677 17.813 1.00 0.00 O ATOM 238 CB VAL X 18 28.624 1.119 17.533 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.341 2.263 18.248 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.948 -0.203 18.234 1.00 0.00 C ATOM 0 H VAL X 18 27.047 -0.298 16.288 1.00 0.00 H new ATOM 0 HA VAL X 18 26.756 1.295 18.598 1.00 0.00 H new ATOM 0 HB VAL X 18 28.957 1.069 16.496 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.417 2.091 18.222 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.112 3.204 17.749 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.006 2.311 19.284 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.024 -0.376 18.206 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.615 -0.156 19.271 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.436 -1.020 17.725 1.00 0.00 H new ATOM 250 N CYS X 19 26.894 2.925 15.726 1.00 0.00 N ATOM 251 CA CYS X 19 26.635 4.218 15.108 1.00 0.00 C ATOM 252 C CYS X 19 25.494 4.118 14.102 1.00 0.00 C ATOM 253 O CYS X 19 25.687 4.339 12.909 1.00 0.00 O ATOM 254 CB CYS X 19 27.899 4.716 14.406 1.00 0.00 C ATOM 255 SG CYS X 19 29.233 4.860 15.620 1.00 0.00 S ATOM 0 H CYS X 19 27.136 2.182 15.071 1.00 0.00 H new ATOM 0 HA CYS X 19 26.348 4.923 15.888 1.00 0.00 H new ATOM 0 HB2 CYS X 19 28.185 4.025 13.613 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.712 5.682 13.936 1.00 0.00 H new ATOM 260 N GLY X 20 24.310 3.774 14.590 1.00 0.00 N ATOM 261 CA GLY X 20 23.147 3.648 13.718 1.00 0.00 C ATOM 262 C GLY X 20 22.758 4.989 13.108 1.00 0.00 C ATOM 263 O GLY X 20 22.449 5.076 11.919 1.00 0.00 O ATOM 0 H GLY X 20 24.129 3.579 15.575 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.363 2.934 12.923 1.00 0.00 H new ATOM 0 HA3 GLY X 20 22.307 3.248 14.286 1.00 0.00 H new ATOM 267 N ASP X 21 22.765 6.027 13.934 1.00 0.00 N ATOM 268 CA ASP X 21 22.403 7.361 13.473 1.00 0.00 C ATOM 269 C ASP X 21 23.570 8.024 12.749 1.00 0.00 C ATOM 270 O ASP X 21 23.419 8.516 11.629 1.00 0.00 O ATOM 271 CB ASP X 21 21.981 8.229 14.662 1.00 0.00 C ATOM 272 CG ASP X 21 23.035 8.173 15.764 1.00 0.00 C ATOM 273 OD1 ASP X 21 23.260 7.096 16.295 1.00 0.00 O ATOM 274 OD2 ASP X 21 23.606 9.208 16.060 1.00 0.00 O ATOM 0 H ASP X 21 23.016 5.972 14.921 1.00 0.00 H new ATOM 0 HA ASP X 21 21.571 7.264 12.776 1.00 0.00 H new ATOM 0 HB2 ASP X 21 21.841 9.260 14.336 1.00 0.00 H new ATOM 0 HB3 ASP X 21 21.022 7.884 15.050 1.00 0.00 H new ATOM 279 N ARG X 22 24.730 8.038 13.397 1.00 0.00 N ATOM 280 CA ARG X 22 25.916 8.645 12.807 1.00 0.00 C ATOM 281 C ARG X 22 26.346 7.890 11.555 1.00 0.00 C ATOM 282 O ARG X 22 26.755 8.493 10.563 1.00 0.00 O ATOM 283 CB ARG X 22 27.059 8.651 13.822 1.00 0.00 C ATOM 284 CG ARG X 22 26.750 9.653 14.935 1.00 0.00 C ATOM 285 CD ARG X 22 27.786 9.516 16.047 1.00 0.00 C ATOM 286 NE ARG X 22 27.631 8.238 16.733 1.00 0.00 N ATOM 287 CZ ARG X 22 28.440 7.887 17.732 1.00 0.00 C ATOM 288 NH1 ARG X 22 29.398 8.689 18.124 1.00 0.00 N ATOM 289 NH2 ARG X 22 28.275 6.735 18.327 1.00 0.00 N ATOM 0 H ARG X 22 24.873 7.639 14.325 1.00 0.00 H new ATOM 0 HA ARG X 22 25.672 9.670 12.528 1.00 0.00 H new ATOM 0 HB2 ARG X 22 27.191 7.654 14.242 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.995 8.916 13.330 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.760 10.668 14.538 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.750 9.475 15.331 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.790 9.592 15.629 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.675 10.334 16.759 1.00 0.00 H new ATOM 0 HE ARG X 22 26.889 7.601 16.442 1.00 0.00 H new ATOM 0 HH11 ARG X 22 29.529 9.590 17.664 1.00 0.00 H new ATOM 0 HH12 ARG X 22 30.013 8.413 18.889 1.00 0.00 H new ATOM 0 HH21 ARG X 22 27.529 6.108 18.026 1.00 0.00 H new ATOM 0 HH22 ARG X 22 28.892 6.463 19.092 1.00 0.00 H new ATOM 303 N GLY X 23 26.257 6.567 11.612 1.00 0.00 N ATOM 304 CA GLY X 23 26.642 5.734 10.481 1.00 0.00 C ATOM 305 C GLY X 23 28.160 5.604 10.401 1.00 0.00 C ATOM 306 O GLY X 23 28.882 6.115 11.257 1.00 0.00 O ATOM 0 H GLY X 23 25.923 6.050 12.426 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.192 4.746 10.580 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.260 6.167 9.557 1.00 0.00 H new ATOM 310 N PHE X 24 28.637 4.926 9.364 1.00 0.00 N ATOM 311 CA PHE X 24 30.071 4.742 9.179 1.00 0.00 C ATOM 312 C PHE X 24 30.404 4.582 7.700 1.00 0.00 C ATOM 313 O PHE X 24 29.544 4.229 6.894 1.00 0.00 O ATOM 314 CB PHE X 24 30.539 3.505 9.951 1.00 0.00 C ATOM 315 CG PHE X 24 29.851 2.275 9.409 1.00 0.00 C ATOM 316 CD1 PHE X 24 30.495 1.473 8.460 1.00 0.00 C ATOM 317 CD2 PHE X 24 28.563 1.946 9.849 1.00 0.00 C ATOM 318 CE1 PHE X 24 29.852 0.338 7.956 1.00 0.00 C ATOM 319 CE2 PHE X 24 27.922 0.811 9.344 1.00 0.00 C ATOM 320 CZ PHE X 24 28.566 0.007 8.396 1.00 0.00 C ATOM 0 H PHE X 24 28.057 4.497 8.643 1.00 0.00 H new ATOM 0 HA PHE X 24 30.587 5.624 9.559 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.620 3.397 9.863 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.316 3.621 11.012 1.00 0.00 H new ATOM 0 HD1 PHE X 24 31.486 1.730 8.118 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.065 2.569 10.578 1.00 0.00 H new ATOM 0 HE1 PHE X 24 30.349 -0.284 7.226 1.00 0.00 H new ATOM 0 HE2 PHE X 24 26.930 0.554 9.685 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.070 -0.869 8.004 1.00 0.00 H new ATOM 330 N TYR X 25 31.659 4.833 7.356 1.00 0.00 N ATOM 331 CA TYR X 25 32.103 4.706 5.974 1.00 0.00 C ATOM 332 C TYR X 25 32.840 3.388 5.765 1.00 0.00 C ATOM 333 O TYR X 25 33.133 3.020 4.632 1.00 0.00 O ATOM 334 CB TYR X 25 33.025 5.863 5.601 1.00 0.00 C ATOM 335 CG TYR X 25 34.108 5.999 6.642 1.00 0.00 C ATOM 336 CD1 TYR X 25 35.205 5.131 6.629 1.00 0.00 C ATOM 337 CD2 TYR X 25 34.016 6.995 7.620 1.00 0.00 C ATOM 338 CE1 TYR X 25 36.209 5.256 7.596 1.00 0.00 C ATOM 339 CE2 TYR X 25 35.018 7.123 8.587 1.00 0.00 C ATOM 340 CZ TYR X 25 36.118 6.253 8.575 1.00 0.00 C ATOM 341 OH TYR X 25 37.107 6.379 9.528 1.00 0.00 O ATOM 0 H TYR X 25 32.385 5.124 8.010 1.00 0.00 H new ATOM 0 HA TYR X 25 31.220 4.728 5.335 1.00 0.00 H new ATOM 0 HB2 TYR X 25 33.468 5.687 4.621 1.00 0.00 H new ATOM 0 HB3 TYR X 25 32.454 6.789 5.532 1.00 0.00 H new ATOM 0 HD1 TYR X 25 35.277 4.364 5.872 1.00 0.00 H new ATOM 0 HD2 TYR X 25 33.170 7.666 7.628 1.00 0.00 H new ATOM 0 HE1 TYR X 25 37.054 4.583 7.587 1.00 0.00 H new ATOM 0 HE2 TYR X 25 34.945 7.891 9.343 1.00 0.00 H new ATOM 0 HH TYR X 25 36.889 7.121 10.130 1.00 0.00 H new ATOM 613 N ILE X 44 40.332 -1.607 9.622 1.00 0.00 N ATOM 614 CA ILE X 44 39.443 -1.671 10.774 1.00 0.00 C ATOM 615 C ILE X 44 38.977 -3.102 11.008 1.00 0.00 C ATOM 616 O ILE X 44 38.877 -3.553 12.150 1.00 0.00 O ATOM 617 CB ILE X 44 38.225 -0.770 10.546 1.00 0.00 C ATOM 618 CG1 ILE X 44 37.280 -0.877 11.745 1.00 0.00 C ATOM 619 CG2 ILE X 44 37.485 -1.193 9.278 1.00 0.00 C ATOM 620 CD1 ILE X 44 36.057 0.011 11.516 1.00 0.00 C ATOM 0 HA ILE X 44 39.991 -1.328 11.652 1.00 0.00 H new ATOM 0 HB ILE X 44 38.563 0.260 10.433 1.00 0.00 H new ATOM 0 HG12 ILE X 44 36.969 -1.912 11.884 1.00 0.00 H new ATOM 0 HG13 ILE X 44 37.796 -0.574 12.656 1.00 0.00 H new ATOM 0 HG21 ILE X 44 36.622 -0.545 9.127 1.00 0.00 H new ATOM 0 HG22 ILE X 44 38.154 -1.111 8.422 1.00 0.00 H new ATOM 0 HG23 ILE X 44 37.150 -2.225 9.379 1.00 0.00 H new ATOM 0 HD11 ILE X 44 35.386 -0.067 12.371 1.00 0.00 H new ATOM 0 HD12 ILE X 44 36.376 1.047 11.398 1.00 0.00 H new ATOM 0 HD13 ILE X 44 35.536 -0.313 10.615 1.00 0.00 H new ATOM 632 N VAL X 45 38.683 -3.808 9.921 1.00 0.00 N ATOM 633 CA VAL X 45 38.222 -5.186 10.016 1.00 0.00 C ATOM 634 C VAL X 45 39.290 -6.074 10.625 1.00 0.00 C ATOM 635 O VAL X 45 39.000 -6.893 11.491 1.00 0.00 O ATOM 636 CB VAL X 45 37.854 -5.715 8.630 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.620 -7.227 8.704 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.574 -5.027 8.147 1.00 0.00 C ATOM 0 H VAL X 45 38.756 -3.450 8.969 1.00 0.00 H new ATOM 0 HA VAL X 45 37.342 -5.203 10.659 1.00 0.00 H new ATOM 0 HB VAL X 45 38.667 -5.507 7.935 1.00 0.00 H new ATOM 0 HG11 VAL X 45 37.358 -7.603 7.715 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.529 -7.719 9.050 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.807 -7.436 9.399 1.00 0.00 H new ATOM 0 HG21 VAL X 45 36.310 -5.403 7.159 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.763 -5.237 8.844 1.00 0.00 H new ATOM 0 HG23 VAL X 45 36.737 -3.951 8.094 1.00 0.00 H new ATOM 648 N ASP X 46 40.518 -5.915 10.161 1.00 0.00 N ATOM 649 CA ASP X 46 41.621 -6.716 10.660 1.00 0.00 C ATOM 650 C ASP X 46 41.856 -6.449 12.139 1.00 0.00 C ATOM 651 O ASP X 46 42.176 -7.365 12.891 1.00 0.00 O ATOM 652 CB ASP X 46 42.898 -6.397 9.879 1.00 0.00 C ATOM 653 CG ASP X 46 42.792 -6.943 8.459 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.919 -7.761 8.226 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.580 -6.529 7.627 1.00 0.00 O ATOM 0 H ASP X 46 40.775 -5.240 9.441 1.00 0.00 H new ATOM 0 HA ASP X 46 41.364 -7.767 10.527 1.00 0.00 H new ATOM 0 HB2 ASP X 46 43.058 -5.319 9.852 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.760 -6.834 10.382 1.00 0.00 H new ATOM 660 N GLU X 47 41.724 -5.191 12.549 1.00 0.00 N ATOM 661 CA GLU X 47 41.961 -4.844 13.944 1.00 0.00 C ATOM 662 C GLU X 47 40.970 -5.544 14.867 1.00 0.00 C ATOM 663 O GLU X 47 41.368 -6.185 15.838 1.00 0.00 O ATOM 664 CB GLU X 47 41.810 -3.329 14.115 1.00 0.00 C ATOM 665 CG GLU X 47 42.102 -2.937 15.564 1.00 0.00 C ATOM 666 CD GLU X 47 43.550 -3.267 15.904 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.332 -3.426 14.979 1.00 0.00 O ATOM 668 OE2 GLU X 47 43.856 -3.358 17.080 1.00 0.00 O ATOM 0 H GLU X 47 41.460 -4.410 11.948 1.00 0.00 H new ATOM 0 HA GLU X 47 42.968 -5.166 14.210 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.493 -2.809 13.444 1.00 0.00 H new ATOM 0 HB3 GLU X 47 40.800 -3.022 13.843 1.00 0.00 H new ATOM 0 HG2 GLU X 47 41.919 -1.872 15.707 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.430 -3.469 16.237 1.00 0.00 H new ATOM 675 N CYS X 48 39.686 -5.422 14.558 1.00 0.00 N ATOM 676 CA CYS X 48 38.655 -6.050 15.373 1.00 0.00 C ATOM 677 C CYS X 48 38.664 -7.566 15.196 1.00 0.00 C ATOM 678 O CYS X 48 38.493 -8.317 16.156 1.00 0.00 O ATOM 679 CB CYS X 48 37.283 -5.504 14.986 1.00 0.00 C ATOM 680 SG CYS X 48 37.175 -3.761 15.465 1.00 0.00 S ATOM 0 H CYS X 48 39.335 -4.899 13.756 1.00 0.00 H new ATOM 0 HA CYS X 48 38.863 -5.820 16.418 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.127 -5.608 13.912 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.498 -6.078 15.479 1.00 0.00 H new ATOM 685 N CYS X 49 38.850 -8.006 13.957 1.00 0.00 N ATOM 686 CA CYS X 49 38.858 -9.431 13.657 1.00 0.00 C ATOM 687 C CYS X 49 39.984 -10.135 14.405 1.00 0.00 C ATOM 688 O CYS X 49 39.762 -11.145 15.085 1.00 0.00 O ATOM 689 CB CYS X 49 39.036 -9.641 12.147 1.00 0.00 C ATOM 690 SG CYS X 49 38.974 -11.409 11.765 1.00 0.00 S ATOM 0 H CYS X 49 38.996 -7.400 13.149 1.00 0.00 H new ATOM 0 HA CYS X 49 37.907 -9.856 13.978 1.00 0.00 H new ATOM 0 HB2 CYS X 49 38.253 -9.114 11.602 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.988 -9.222 11.822 1.00 0.00 H new ATOM 695 N PHE X 50 41.195 -9.591 14.294 1.00 0.00 N ATOM 696 CA PHE X 50 42.343 -10.184 14.967 1.00 0.00 C ATOM 697 C PHE X 50 42.411 -9.720 16.415 1.00 0.00 C ATOM 698 O PHE X 50 42.219 -10.507 17.339 1.00 0.00 O ATOM 699 CB PHE X 50 43.630 -9.789 14.235 1.00 0.00 C ATOM 700 CG PHE X 50 43.732 -10.576 12.948 1.00 0.00 C ATOM 701 CD1 PHE X 50 43.036 -10.144 11.808 1.00 0.00 C ATOM 702 CD2 PHE X 50 44.526 -11.726 12.890 1.00 0.00 C ATOM 703 CE1 PHE X 50 43.132 -10.866 10.611 1.00 0.00 C ATOM 704 CE2 PHE X 50 44.623 -12.449 11.696 1.00 0.00 C ATOM 705 CZ PHE X 50 43.927 -12.019 10.556 1.00 0.00 C ATOM 0 H PHE X 50 41.403 -8.752 13.752 1.00 0.00 H new ATOM 0 HA PHE X 50 42.235 -11.269 14.954 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.628 -8.720 14.022 1.00 0.00 H new ATOM 0 HB3 PHE X 50 44.497 -9.987 14.866 1.00 0.00 H new ATOM 0 HD1 PHE X 50 42.426 -9.254 11.854 1.00 0.00 H new ATOM 0 HD2 PHE X 50 45.064 -12.056 13.766 1.00 0.00 H new ATOM 0 HE1 PHE X 50 42.595 -10.535 9.734 1.00 0.00 H new ATOM 0 HE2 PHE X 50 45.234 -13.339 11.652 1.00 0.00 H new ATOM 0 HZ PHE X 50 44.004 -12.577 9.635 1.00 0.00 H new ATOM 715 N ARG X 51 42.682 -8.432 16.603 1.00 0.00 N ATOM 716 CA ARG X 51 42.772 -7.868 17.944 1.00 0.00 C ATOM 717 C ARG X 51 41.379 -7.562 18.490 1.00 0.00 C ATOM 718 O ARG X 51 40.410 -7.487 17.735 1.00 0.00 O ATOM 719 CB ARG X 51 43.606 -6.585 17.922 1.00 0.00 C ATOM 720 CG ARG X 51 45.064 -6.934 17.616 1.00 0.00 C ATOM 721 CD ARG X 51 45.895 -5.654 17.584 1.00 0.00 C ATOM 722 NE ARG X 51 47.291 -5.959 17.305 1.00 0.00 N ATOM 723 CZ ARG X 51 48.210 -4.994 17.230 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.872 -3.741 17.405 1.00 0.00 N ATOM 725 NH2 ARG X 51 49.454 -5.300 16.980 1.00 0.00 N ATOM 0 H ARG X 51 42.842 -7.764 15.849 1.00 0.00 H new ATOM 0 HA ARG X 51 43.254 -8.600 18.592 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.219 -5.899 17.169 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.536 -6.076 18.883 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.453 -7.615 18.373 1.00 0.00 H new ATOM 0 HG3 ARG X 51 45.133 -7.450 16.658 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.505 -4.979 16.822 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.814 -5.137 18.540 1.00 0.00 H new ATOM 0 HE ARG X 51 47.572 -6.929 17.164 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.901 -3.497 17.600 1.00 0.00 H new ATOM 0 HH12 ARG X 51 48.580 -3.009 17.346 1.00 0.00 H new ATOM 0 HH21 ARG X 51 49.722 -6.275 16.842 1.00 0.00 H new ATOM 0 HH22 ARG X 51 50.158 -4.565 16.922 1.00 0.00 H new ATOM 739 N SER X 52 41.284 -7.386 19.801 1.00 0.00 N ATOM 740 CA SER X 52 40.002 -7.085 20.425 1.00 0.00 C ATOM 741 C SER X 52 39.797 -5.575 20.519 1.00 0.00 C ATOM 742 O SER X 52 40.073 -4.964 21.551 1.00 0.00 O ATOM 743 CB SER X 52 39.950 -7.696 21.826 1.00 0.00 C ATOM 744 OG SER X 52 39.824 -9.107 21.717 1.00 0.00 O ATOM 0 H SER X 52 42.070 -7.446 20.448 1.00 0.00 H new ATOM 0 HA SER X 52 39.208 -7.512 19.812 1.00 0.00 H new ATOM 0 HB2 SER X 52 40.853 -7.442 22.380 1.00 0.00 H new ATOM 0 HB3 SER X 52 39.108 -7.286 22.383 1.00 0.00 H new ATOM 0 HG SER X 52 39.792 -9.503 22.613 1.00 0.00 H new ATOM 750 N CYS X 53 39.314 -4.979 19.432 1.00 0.00 N ATOM 751 CA CYS X 53 39.082 -3.539 19.406 1.00 0.00 C ATOM 752 C CYS X 53 37.943 -3.163 20.348 1.00 0.00 C ATOM 753 O CYS X 53 36.890 -3.802 20.356 1.00 0.00 O ATOM 754 CB CYS X 53 38.737 -3.096 17.981 1.00 0.00 C ATOM 755 SG CYS X 53 37.146 -3.805 17.487 1.00 0.00 S ATOM 0 H CYS X 53 39.078 -5.465 18.567 1.00 0.00 H new ATOM 0 HA CYS X 53 39.990 -3.035 19.736 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.693 -2.008 17.929 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.518 -3.416 17.292 1.00 0.00 H new ATOM 760 N ASP X 54 38.161 -2.119 21.141 1.00 0.00 N ATOM 761 CA ASP X 54 37.149 -1.658 22.083 1.00 0.00 C ATOM 762 C ASP X 54 36.003 -0.966 21.350 1.00 0.00 C ATOM 763 O ASP X 54 36.197 -0.387 20.282 1.00 0.00 O ATOM 764 CB ASP X 54 37.769 -0.693 23.094 1.00 0.00 C ATOM 765 CG ASP X 54 38.668 -1.460 24.060 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.604 -2.678 24.059 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.408 -0.815 24.786 1.00 0.00 O ATOM 0 H ASP X 54 39.026 -1.578 21.150 1.00 0.00 H new ATOM 0 HA ASP X 54 36.754 -2.527 22.609 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.347 0.071 22.574 1.00 0.00 H new ATOM 0 HB3 ASP X 54 36.984 -0.177 23.646 1.00 0.00 H new ATOM 772 N LEU X 55 34.811 -1.028 21.930 1.00 0.00 N ATOM 773 CA LEU X 55 33.645 -0.400 21.319 1.00 0.00 C ATOM 774 C LEU X 55 33.848 1.108 21.209 1.00 0.00 C ATOM 775 O LEU X 55 33.487 1.721 20.205 1.00 0.00 O ATOM 776 CB LEU X 55 32.400 -0.689 22.162 1.00 0.00 C ATOM 777 CG LEU X 55 32.043 -2.173 22.056 1.00 0.00 C ATOM 778 CD1 LEU X 55 30.979 -2.518 23.101 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.492 -2.468 20.656 1.00 0.00 C ATOM 0 H LEU X 55 34.626 -1.502 22.814 1.00 0.00 H new ATOM 0 HA LEU X 55 33.512 -0.812 20.318 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.583 -0.422 23.203 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.565 -0.078 21.818 1.00 0.00 H new ATOM 0 HG LEU X 55 32.936 -2.773 22.231 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.724 -3.575 23.026 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.367 -2.308 24.098 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.087 -1.917 22.925 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.238 -3.525 20.580 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.600 -1.867 20.482 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.246 -2.222 19.909 1.00 0.00 H new ATOM 791 N ARG X 56 34.431 1.700 22.249 1.00 0.00 N ATOM 792 CA ARG X 56 34.680 3.137 22.248 1.00 0.00 C ATOM 793 C ARG X 56 35.601 3.524 21.091 1.00 0.00 C ATOM 794 O ARG X 56 35.311 4.464 20.351 1.00 0.00 O ATOM 795 CB ARG X 56 35.318 3.554 23.572 1.00 0.00 C ATOM 796 CG ARG X 56 35.571 5.062 23.563 1.00 0.00 C ATOM 797 CD ARG X 56 36.148 5.486 24.910 1.00 0.00 C ATOM 798 NE ARG X 56 36.415 6.919 24.922 1.00 0.00 N ATOM 799 CZ ARG X 56 36.889 7.526 26.009 1.00 0.00 C ATOM 800 NH1 ARG X 56 37.128 6.844 27.102 1.00 0.00 N ATOM 801 NH2 ARG X 56 37.115 8.812 25.989 1.00 0.00 N ATOM 0 H ARG X 56 34.736 1.214 23.092 1.00 0.00 H new ATOM 0 HA ARG X 56 33.727 3.652 22.124 1.00 0.00 H new ATOM 0 HB2 ARG X 56 34.664 3.289 24.403 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.255 3.018 23.721 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.262 5.321 22.761 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.641 5.597 23.368 1.00 0.00 H new ATOM 0 HD2 ARG X 56 35.449 5.234 25.707 1.00 0.00 H new ATOM 0 HD3 ARG X 56 37.069 4.937 25.107 1.00 0.00 H new ATOM 0 HE ARG X 56 36.235 7.468 24.081 1.00 0.00 H new ATOM 0 HH11 ARG X 56 36.951 5.840 27.125 1.00 0.00 H new ATOM 0 HH12 ARG X 56 37.491 7.317 27.929 1.00 0.00 H new ATOM 0 HH21 ARG X 56 36.929 9.349 25.142 1.00 0.00 H new ATOM 0 HH22 ARG X 56 37.478 9.279 26.820 1.00 0.00 H new ATOM 815 N ARG X 57 36.706 2.788 20.932 1.00 0.00 N ATOM 816 CA ARG X 57 37.643 3.057 19.867 1.00 0.00 C ATOM 817 C ARG X 57 36.972 2.846 18.516 1.00 0.00 C ATOM 818 O ARG X 57 37.247 3.558 17.562 1.00 0.00 O ATOM 819 CB ARG X 57 38.849 2.130 19.998 1.00 0.00 C ATOM 820 CG ARG X 57 39.937 2.593 19.042 1.00 0.00 C ATOM 821 CD ARG X 57 41.196 1.768 19.273 1.00 0.00 C ATOM 822 NE ARG X 57 41.018 0.407 18.786 1.00 0.00 N ATOM 823 CZ ARG X 57 41.983 -0.507 18.907 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.124 -0.201 19.472 1.00 0.00 N ATOM 825 NH2 ARG X 57 41.791 -1.717 18.456 1.00 0.00 N ATOM 0 H ARG X 57 36.962 2.005 21.533 1.00 0.00 H new ATOM 0 HA ARG X 57 37.976 4.093 19.938 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.220 2.138 21.023 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.561 1.103 19.771 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.601 2.484 18.011 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.148 3.651 19.198 1.00 0.00 H new ATOM 0 HD2 ARG X 57 42.040 2.234 18.764 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.435 1.750 20.336 1.00 0.00 H new ATOM 0 HE ARG X 57 40.137 0.147 18.343 1.00 0.00 H new ATOM 0 HH11 ARG X 57 43.282 0.743 19.824 1.00 0.00 H new ATOM 0 HH12 ARG X 57 43.855 -0.907 19.560 1.00 0.00 H new ATOM 0 HH21 ARG X 57 40.906 -1.962 18.013 1.00 0.00 H new ATOM 0 HH22 ARG X 57 42.526 -2.418 18.547 1.00 0.00 H new ATOM 839 N LEU X 58 36.102 1.848 18.439 1.00 0.00 N ATOM 840 CA LEU X 58 35.414 1.539 17.189 1.00 0.00 C ATOM 841 C LEU X 58 34.597 2.740 16.716 1.00 0.00 C ATOM 842 O LEU X 58 34.498 2.998 15.514 1.00 0.00 O ATOM 843 CB LEU X 58 34.484 0.342 17.383 1.00 0.00 C ATOM 844 CG LEU X 58 33.996 -0.156 16.019 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.124 -0.925 15.324 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.798 -1.083 16.214 1.00 0.00 C ATOM 0 H LEU X 58 35.856 1.241 19.221 1.00 0.00 H new ATOM 0 HA LEU X 58 36.165 1.299 16.436 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.008 -0.457 17.907 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.634 0.626 18.003 1.00 0.00 H new ATOM 0 HG LEU X 58 33.702 0.696 15.406 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.778 -1.280 14.353 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.981 -0.267 15.185 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.416 -1.776 15.939 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.451 -1.438 15.244 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.093 -1.935 16.827 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.994 -0.539 16.711 1.00 0.00 H new ATOM 858 N ASP X 59 34.007 3.458 17.665 1.00 0.00 N ATOM 859 CA ASP X 59 33.196 4.625 17.339 1.00 0.00 C ATOM 860 C ASP X 59 34.019 5.663 16.574 1.00 0.00 C ATOM 861 O ASP X 59 33.468 6.561 15.949 1.00 0.00 O ATOM 862 CB ASP X 59 32.639 5.252 18.617 1.00 0.00 C ATOM 863 CG ASP X 59 31.531 6.244 18.271 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.201 6.350 17.101 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.033 6.882 19.182 1.00 0.00 O ATOM 0 H ASP X 59 34.074 3.254 18.662 1.00 0.00 H new ATOM 0 HA ASP X 59 32.371 4.299 16.706 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.250 4.474 19.274 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.436 5.759 19.161 1.00 0.00 H new ATOM 870 N MET X 60 35.336 5.543 16.642 1.00 0.00 N ATOM 871 CA MET X 60 36.216 6.481 15.956 1.00 0.00 C ATOM 872 C MET X 60 36.049 6.381 14.443 1.00 0.00 C ATOM 873 O MET X 60 36.142 7.379 13.731 1.00 0.00 O ATOM 874 CB MET X 60 37.669 6.196 16.319 1.00 0.00 C ATOM 875 CG MET X 60 37.908 6.550 17.788 1.00 0.00 C ATOM 876 SD MET X 60 39.590 6.074 18.254 1.00 0.00 S ATOM 877 CE MET X 60 40.457 7.305 17.251 1.00 0.00 C ATOM 0 H MET X 60 35.819 4.810 17.162 1.00 0.00 H new ATOM 0 HA MET X 60 35.946 7.488 16.274 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.899 5.145 16.145 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.335 6.777 15.681 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.764 7.619 17.944 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.184 6.035 18.420 1.00 0.00 H new ATOM 0 HE1 MET X 60 41.449 7.480 17.667 1.00 0.00 H new ATOM 0 HE2 MET X 60 40.552 6.940 16.228 1.00 0.00 H new ATOM 0 HE3 MET X 60 39.893 8.238 17.252 1.00 0.00 H new ATOM 887 N TYR X 61 35.819 5.168 13.958 1.00 0.00 N ATOM 888 CA TYR X 61 35.651 4.944 12.526 1.00 0.00 C ATOM 889 C TYR X 61 34.279 5.427 12.053 1.00 0.00 C ATOM 890 O TYR X 61 34.018 5.478 10.854 1.00 0.00 O ATOM 891 CB TYR X 61 35.798 3.457 12.212 1.00 0.00 C ATOM 892 CG TYR X 61 36.992 2.904 12.951 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.824 1.881 13.886 1.00 0.00 C ATOM 894 CD2 TYR X 61 38.271 3.418 12.701 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.930 1.367 14.571 1.00 0.00 C ATOM 896 CE2 TYR X 61 39.379 2.904 13.387 1.00 0.00 C ATOM 897 CZ TYR X 61 39.209 1.878 14.324 1.00 0.00 C ATOM 898 OH TYR X 61 40.299 1.373 15.001 1.00 0.00 O ATOM 0 H TYR X 61 35.745 4.327 14.531 1.00 0.00 H new ATOM 0 HA TYR X 61 36.421 5.511 12.002 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.895 2.921 12.505 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.921 3.311 11.139 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.838 1.486 14.081 1.00 0.00 H new ATOM 0 HD2 TYR X 61 38.403 4.211 11.979 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.796 0.574 15.292 1.00 0.00 H new ATOM 0 HE2 TYR X 61 40.365 3.300 13.193 1.00 0.00 H new ATOM 0 HH TYR X 61 41.110 1.839 14.709 1.00 0.00 H new ATOM 908 N CYS X 62 33.412 5.794 12.995 1.00 0.00 N ATOM 909 CA CYS X 62 32.084 6.278 12.649 1.00 0.00 C ATOM 910 C CYS X 62 32.166 7.662 12.010 1.00 0.00 C ATOM 911 O CYS X 62 33.100 8.422 12.272 1.00 0.00 O ATOM 912 CB CYS X 62 31.212 6.348 13.900 1.00 0.00 C ATOM 913 SG CYS X 62 30.918 4.678 14.526 1.00 0.00 S ATOM 0 H CYS X 62 33.606 5.765 13.996 1.00 0.00 H new ATOM 0 HA CYS X 62 31.642 5.584 11.934 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.701 6.953 14.663 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.264 6.833 13.668 1.00 0.00 H new ATOM 918 N ALA X 63 31.190 7.976 11.165 1.00 0.00 N ATOM 919 CA ALA X 63 31.165 9.255 10.488 1.00 0.00 C ATOM 920 C ALA X 63 30.972 10.391 11.496 1.00 0.00 C ATOM 921 O ALA X 63 30.344 10.209 12.539 1.00 0.00 O ATOM 922 CB ALA X 63 30.028 9.286 9.464 1.00 0.00 C ATOM 0 H ALA X 63 30.410 7.360 10.937 1.00 0.00 H new ATOM 0 HA ALA X 63 32.118 9.391 9.977 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.018 10.253 8.960 1.00 0.00 H new ATOM 0 HB2 ALA X 63 30.179 8.495 8.729 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.076 9.132 9.972 1.00 0.00 H new