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= -0.283 X(o=-0.28,f=-0.31) 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 -131:sc= -1.54 (180deg=-3.06) USER MOD Single : X 61 TYR OH : rot 150:sc= 0.00905 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 34.110 -9.524 16.742 1.00 0.00 N ATOM 61 CA LEU X 6 33.422 -8.898 15.621 1.00 0.00 C ATOM 62 C LEU X 6 34.217 -9.087 14.334 1.00 0.00 C ATOM 63 O LEU X 6 35.379 -8.692 14.247 1.00 0.00 O ATOM 64 CB LEU X 6 33.242 -7.403 15.901 1.00 0.00 C ATOM 65 CG LEU X 6 32.453 -7.211 17.201 1.00 0.00 C ATOM 66 CD1 LEU X 6 32.360 -5.717 17.525 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.042 -7.786 17.037 1.00 0.00 C ATOM 0 HA LEU X 6 32.446 -9.368 15.501 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.215 -6.919 15.980 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.716 -6.929 15.072 1.00 0.00 H new ATOM 0 HG LEU X 6 32.963 -7.730 18.013 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.799 -5.579 18.449 1.00 0.00 H new ATOM 0 HD12 LEU X 6 33.363 -5.308 17.645 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.852 -5.199 16.712 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.483 -7.648 17.963 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.531 -7.270 16.224 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.107 -8.850 16.807 1.00 0.00 H new ATOM 79 N CYS X 7 33.584 -9.696 13.336 1.00 0.00 N ATOM 80 CA CYS X 7 34.240 -9.938 12.057 1.00 0.00 C ATOM 81 C CYS X 7 33.211 -10.278 10.977 1.00 0.00 C ATOM 82 O CYS X 7 32.173 -10.886 11.260 1.00 0.00 O ATOM 83 CB CYS X 7 35.246 -11.085 12.193 1.00 0.00 C ATOM 84 SG CYS X 7 36.287 -11.163 10.712 1.00 0.00 S ATOM 0 H CYS X 7 32.621 -10.029 13.388 1.00 0.00 H new ATOM 0 HA CYS X 7 34.766 -9.029 11.763 1.00 0.00 H new ATOM 0 HB2 CYS X 7 35.866 -10.935 13.077 1.00 0.00 H new ATOM 0 HB3 CYS X 7 34.719 -12.029 12.329 1.00 0.00 H new ATOM 89 N GLY X 8 33.506 -9.882 9.742 1.00 0.00 N ATOM 90 CA GLY X 8 32.605 -10.157 8.630 1.00 0.00 C ATOM 91 C GLY X 8 31.233 -9.546 8.874 1.00 0.00 C ATOM 92 O GLY X 8 31.111 -8.357 9.168 1.00 0.00 O ATOM 0 H GLY X 8 34.354 -9.375 9.489 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.027 -9.756 7.708 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.508 -11.234 8.494 1.00 0.00 H new ATOM 96 N ALA X 9 30.200 -10.372 8.743 1.00 0.00 N ATOM 97 CA ALA X 9 28.833 -9.913 8.949 1.00 0.00 C ATOM 98 C ALA X 9 28.648 -9.395 10.369 1.00 0.00 C ATOM 99 O ALA X 9 27.931 -8.418 10.592 1.00 0.00 O ATOM 100 CB ALA X 9 27.849 -11.056 8.694 1.00 0.00 C ATOM 0 H ALA X 9 30.284 -11.358 8.496 1.00 0.00 H new ATOM 0 HA ALA X 9 28.638 -9.102 8.248 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.830 -10.701 8.851 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.957 -11.407 7.668 1.00 0.00 H new ATOM 0 HB3 ALA X 9 28.058 -11.876 9.381 1.00 0.00 H new ATOM 106 N GLU X 10 29.287 -10.058 11.328 1.00 0.00 N ATOM 107 CA GLU X 10 29.172 -9.648 12.721 1.00 0.00 C ATOM 108 C GLU X 10 29.723 -8.241 12.907 1.00 0.00 C ATOM 109 O GLU X 10 29.134 -7.419 13.610 1.00 0.00 O ATOM 110 CB GLU X 10 29.939 -10.627 13.612 1.00 0.00 C ATOM 111 CG GLU X 10 29.210 -11.975 13.654 1.00 0.00 C ATOM 112 CD GLU X 10 27.820 -11.805 14.259 1.00 0.00 C ATOM 113 OE1 GLU X 10 27.727 -11.216 15.324 1.00 0.00 O ATOM 114 OE2 GLU X 10 26.869 -12.262 13.647 1.00 0.00 O ATOM 0 H GLU X 10 29.882 -10.871 11.168 1.00 0.00 H new ATOM 0 HA GLU X 10 28.119 -9.651 13.002 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.951 -10.763 13.231 1.00 0.00 H new ATOM 0 HB3 GLU X 10 30.030 -10.221 14.620 1.00 0.00 H new ATOM 0 HG2 GLU X 10 29.128 -12.384 12.647 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.786 -12.690 14.242 1.00 0.00 H new ATOM 121 N LEU X 11 30.849 -7.962 12.262 1.00 0.00 N ATOM 122 CA LEU X 11 31.458 -6.642 12.352 1.00 0.00 C ATOM 123 C LEU X 11 30.545 -5.583 11.750 1.00 0.00 C ATOM 124 O LEU X 11 30.375 -4.506 12.315 1.00 0.00 O ATOM 125 CB LEU X 11 32.809 -6.629 11.638 1.00 0.00 C ATOM 126 CG LEU X 11 33.403 -5.216 11.674 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.610 -4.768 13.124 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.746 -5.218 10.948 1.00 0.00 C ATOM 0 H LEU X 11 31.355 -8.626 11.676 1.00 0.00 H new ATOM 0 HA LEU X 11 31.611 -6.411 13.406 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.490 -7.332 12.117 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.688 -6.956 10.605 1.00 0.00 H new ATOM 0 HG LEU X 11 32.716 -4.526 11.184 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.032 -3.763 13.138 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.652 -4.766 13.645 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.293 -5.455 13.623 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.173 -4.215 10.970 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.425 -5.913 11.441 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.600 -5.527 9.913 1.00 0.00 H new ATOM 140 N VAL X 12 29.966 -5.892 10.598 1.00 0.00 N ATOM 141 CA VAL X 12 29.081 -4.947 9.932 1.00 0.00 C ATOM 142 C VAL X 12 27.905 -4.585 10.825 1.00 0.00 C ATOM 143 O VAL X 12 27.560 -3.412 10.967 1.00 0.00 O ATOM 144 CB VAL X 12 28.576 -5.553 8.624 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.384 -4.746 8.104 1.00 0.00 C ATOM 146 CG2 VAL X 12 29.698 -5.495 7.585 1.00 0.00 C ATOM 0 H VAL X 12 30.091 -6.779 10.110 1.00 0.00 H new ATOM 0 HA VAL X 12 29.641 -4.036 9.719 1.00 0.00 H new ATOM 0 HB VAL X 12 28.270 -6.585 8.798 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.028 -5.183 7.171 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.582 -4.764 8.842 1.00 0.00 H new ATOM 0 HG13 VAL X 12 27.692 -3.715 7.928 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.348 -5.925 6.647 1.00 0.00 H new ATOM 0 HG22 VAL X 12 29.989 -4.457 7.422 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.557 -6.061 7.945 1.00 0.00 H new ATOM 156 N ASP X 13 27.297 -5.597 11.429 1.00 0.00 N ATOM 157 CA ASP X 13 26.163 -5.369 12.309 1.00 0.00 C ATOM 158 C ASP X 13 26.575 -4.525 13.512 1.00 0.00 C ATOM 159 O ASP X 13 25.874 -3.586 13.890 1.00 0.00 O ATOM 160 CB ASP X 13 25.604 -6.713 12.786 1.00 0.00 C ATOM 161 CG ASP X 13 24.336 -6.496 13.608 1.00 0.00 C ATOM 162 OD1 ASP X 13 23.997 -5.350 13.853 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.723 -7.482 13.981 1.00 0.00 O ATOM 0 H ASP X 13 27.568 -6.575 11.326 1.00 0.00 H new ATOM 0 HA ASP X 13 25.395 -4.829 11.755 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.385 -7.349 11.928 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.351 -7.233 13.386 1.00 0.00 H new ATOM 168 N ALA X 14 27.710 -4.869 14.113 1.00 0.00 N ATOM 169 CA ALA X 14 28.194 -4.131 15.274 1.00 0.00 C ATOM 170 C ALA X 14 28.477 -2.680 14.908 1.00 0.00 C ATOM 171 O ALA X 14 28.165 -1.766 15.671 1.00 0.00 O ATOM 172 CB ALA X 14 29.466 -4.775 15.823 1.00 0.00 C ATOM 0 H ALA X 14 28.305 -5.644 13.820 1.00 0.00 H new ATOM 0 HA ALA X 14 27.418 -4.159 16.039 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.814 -4.212 16.689 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.255 -5.803 16.119 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.238 -4.770 15.053 1.00 0.00 H new ATOM 178 N LEU X 15 29.068 -2.475 13.733 1.00 0.00 N ATOM 179 CA LEU X 15 29.379 -1.126 13.278 1.00 0.00 C ATOM 180 C LEU X 15 28.102 -0.318 13.097 1.00 0.00 C ATOM 181 O LEU X 15 28.054 0.857 13.439 1.00 0.00 O ATOM 182 CB LEU X 15 30.152 -1.171 11.958 1.00 0.00 C ATOM 183 CG LEU X 15 31.577 -1.676 12.201 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.246 -1.975 10.859 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.386 -0.598 12.934 1.00 0.00 C ATOM 0 H LEU X 15 29.338 -3.217 13.087 1.00 0.00 H new ATOM 0 HA LEU X 15 29.999 -0.646 14.035 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.642 -1.825 11.251 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.181 -0.178 11.510 1.00 0.00 H new ATOM 0 HG LEU X 15 31.540 -2.582 12.806 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.261 -2.335 11.030 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.675 -2.738 10.330 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.280 -1.066 10.259 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.400 -0.958 13.106 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.421 0.307 12.327 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.913 -0.375 13.890 1.00 0.00 H new ATOM 197 N GLN X 16 27.070 -0.950 12.559 1.00 0.00 N ATOM 198 CA GLN X 16 25.808 -0.259 12.352 1.00 0.00 C ATOM 199 C GLN X 16 25.214 0.174 13.690 1.00 0.00 C ATOM 200 O GLN X 16 24.771 1.311 13.845 1.00 0.00 O ATOM 201 CB GLN X 16 24.833 -1.182 11.626 1.00 0.00 C ATOM 202 CG GLN X 16 23.554 -0.417 11.303 1.00 0.00 C ATOM 203 CD GLN X 16 23.860 0.739 10.358 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.421 0.530 9.282 1.00 0.00 O ATOM 205 NE2 GLN X 16 23.522 1.953 10.696 1.00 0.00 N ATOM 0 H GLN X 16 27.080 -1.926 12.262 1.00 0.00 H new ATOM 0 HA GLN X 16 25.986 0.629 11.746 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.286 -1.558 10.709 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.604 -2.048 12.247 1.00 0.00 H new ATOM 0 HG2 GLN X 16 22.826 -1.087 10.846 1.00 0.00 H new ATOM 0 HG3 GLN X 16 23.106 -0.037 12.221 1.00 0.00 H new ATOM 0 HE21 GLN X 16 23.057 2.123 11.588 1.00 0.00 H new ATOM 0 HE22 GLN X 16 23.722 2.732 10.068 1.00 0.00 H new ATOM 214 N PHE X 17 25.223 -0.737 14.658 1.00 0.00 N ATOM 215 CA PHE X 17 24.698 -0.440 15.988 1.00 0.00 C ATOM 216 C PHE X 17 25.479 0.682 16.662 1.00 0.00 C ATOM 217 O PHE X 17 24.900 1.642 17.169 1.00 0.00 O ATOM 218 CB PHE X 17 24.783 -1.693 16.861 1.00 0.00 C ATOM 219 CG PHE X 17 24.538 -1.315 18.301 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.232 -1.167 18.785 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.631 -1.099 19.151 1.00 0.00 C ATOM 222 CE1 PHE X 17 23.019 -0.807 20.122 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.415 -0.741 20.488 1.00 0.00 C ATOM 224 CZ PHE X 17 24.111 -0.595 20.973 1.00 0.00 C ATOM 0 H PHE X 17 25.586 -1.684 14.548 1.00 0.00 H new ATOM 0 HA PHE X 17 23.662 -0.120 15.874 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.046 -2.428 16.536 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.764 -2.157 16.757 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.390 -1.330 18.128 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.638 -1.208 18.776 1.00 0.00 H new ATOM 0 HE1 PHE X 17 22.012 -0.693 20.497 1.00 0.00 H new ATOM 0 HE2 PHE X 17 26.256 -0.578 21.145 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.946 -0.319 22.004 1.00 0.00 H new ATOM 234 N VAL X 18 26.796 0.542 16.675 1.00 0.00 N ATOM 235 CA VAL X 18 27.653 1.535 17.306 1.00 0.00 C ATOM 236 C VAL X 18 27.543 2.871 16.586 1.00 0.00 C ATOM 237 O VAL X 18 27.488 3.924 17.215 1.00 0.00 O ATOM 238 CB VAL X 18 29.102 1.051 17.296 1.00 0.00 C ATOM 239 CG1 VAL X 18 30.011 2.166 17.805 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.237 -0.170 18.208 1.00 0.00 C ATOM 0 H VAL X 18 27.293 -0.245 16.258 1.00 0.00 H new ATOM 0 HA VAL X 18 27.328 1.672 18.338 1.00 0.00 H new ATOM 0 HB VAL X 18 29.389 0.780 16.280 1.00 0.00 H new ATOM 0 HG11 VAL X 18 31.046 1.823 17.799 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.914 3.038 17.159 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.724 2.434 18.822 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.270 -0.516 18.202 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.951 0.102 19.224 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.585 -0.966 17.849 1.00 0.00 H new ATOM 250 N CYS X 19 27.520 2.813 15.263 1.00 0.00 N ATOM 251 CA CYS X 19 27.425 4.016 14.451 1.00 0.00 C ATOM 252 C CYS X 19 25.985 4.231 13.993 1.00 0.00 C ATOM 253 O CYS X 19 25.746 4.795 12.932 1.00 0.00 O ATOM 254 CB CYS X 19 28.335 3.888 13.225 1.00 0.00 C ATOM 255 SG CYS X 19 30.030 3.563 13.770 1.00 0.00 S ATOM 0 H CYS X 19 27.566 1.945 14.729 1.00 0.00 H new ATOM 0 HA CYS X 19 27.740 4.869 15.052 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.986 3.080 12.582 1.00 0.00 H new ATOM 0 HB3 CYS X 19 28.300 4.803 12.634 1.00 0.00 H new ATOM 260 N GLY X 20 25.031 3.761 14.792 1.00 0.00 N ATOM 261 CA GLY X 20 23.626 3.898 14.431 1.00 0.00 C ATOM 262 C GLY X 20 23.272 5.357 14.171 1.00 0.00 C ATOM 263 O GLY X 20 23.733 6.256 14.874 1.00 0.00 O ATOM 0 H GLY X 20 25.202 3.289 15.680 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.415 3.304 13.542 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.000 3.505 15.232 1.00 0.00 H new ATOM 267 N ASP X 21 22.456 5.577 13.146 1.00 0.00 N ATOM 268 CA ASP X 21 22.041 6.925 12.774 1.00 0.00 C ATOM 269 C ASP X 21 23.230 7.756 12.287 1.00 0.00 C ATOM 270 O ASP X 21 23.104 8.958 12.061 1.00 0.00 O ATOM 271 CB ASP X 21 21.379 7.613 13.972 1.00 0.00 C ATOM 272 CG ASP X 21 20.399 6.654 14.640 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.817 5.942 15.537 1.00 0.00 O ATOM 274 OD2 ASP X 21 19.245 6.647 14.244 1.00 0.00 O ATOM 0 H ASP X 21 22.069 4.839 12.558 1.00 0.00 H new ATOM 0 HA ASP X 21 21.325 6.848 11.956 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.138 7.929 14.687 1.00 0.00 H new ATOM 0 HB3 ASP X 21 20.857 8.512 13.644 1.00 0.00 H new ATOM 279 N ARG X 22 24.389 7.113 12.126 1.00 0.00 N ATOM 280 CA ARG X 22 25.579 7.805 11.667 1.00 0.00 C ATOM 281 C ARG X 22 26.192 7.095 10.462 1.00 0.00 C ATOM 282 O ARG X 22 26.762 7.730 9.577 1.00 0.00 O ATOM 283 CB ARG X 22 26.592 7.852 12.805 1.00 0.00 C ATOM 284 CG ARG X 22 26.051 8.762 13.903 1.00 0.00 C ATOM 285 CD ARG X 22 27.136 8.997 14.943 1.00 0.00 C ATOM 286 NE ARG X 22 27.341 7.799 15.755 1.00 0.00 N ATOM 287 CZ ARG X 22 26.573 7.525 16.813 1.00 0.00 C ATOM 288 NH1 ARG X 22 25.588 8.315 17.152 1.00 0.00 N ATOM 289 NH2 ARG X 22 26.809 6.457 17.519 1.00 0.00 N ATOM 0 H ARG X 22 24.521 6.118 12.308 1.00 0.00 H new ATOM 0 HA ARG X 22 25.306 8.816 11.363 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.767 6.850 13.197 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.550 8.225 12.443 1.00 0.00 H new ATOM 0 HG2 ARG X 22 25.728 9.712 13.477 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.177 8.308 14.369 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.068 9.271 14.448 1.00 0.00 H new ATOM 0 HD3 ARG X 22 26.857 9.834 15.584 1.00 0.00 H new ATOM 0 HE ARG X 22 28.091 7.154 15.507 1.00 0.00 H new ATOM 0 HH11 ARG X 22 25.397 9.155 16.606 1.00 0.00 H new ATOM 0 HH12 ARG X 22 25.011 8.091 17.963 1.00 0.00 H new ATOM 0 HH21 ARG X 22 27.576 5.836 17.263 1.00 0.00 H new ATOM 0 HH22 ARG X 22 26.227 6.242 18.328 1.00 0.00 H new ATOM 303 N GLY X 23 26.073 5.772 10.444 1.00 0.00 N ATOM 304 CA GLY X 23 26.618 4.972 9.355 1.00 0.00 C ATOM 305 C GLY X 23 28.128 4.810 9.506 1.00 0.00 C ATOM 306 O GLY X 23 28.734 5.393 10.403 1.00 0.00 O ATOM 0 H GLY X 23 25.604 5.232 11.171 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.142 3.992 9.344 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.392 5.447 8.400 1.00 0.00 H new ATOM 310 N PHE X 24 28.732 4.025 8.620 1.00 0.00 N ATOM 311 CA PHE X 24 30.175 3.811 8.666 1.00 0.00 C ATOM 312 C PHE X 24 30.707 3.474 7.274 1.00 0.00 C ATOM 313 O PHE X 24 29.955 3.040 6.401 1.00 0.00 O ATOM 314 CB PHE X 24 30.506 2.683 9.649 1.00 0.00 C ATOM 315 CG PHE X 24 29.855 1.405 9.188 1.00 0.00 C ATOM 316 CD1 PHE X 24 30.594 0.457 8.470 1.00 0.00 C ATOM 317 CD2 PHE X 24 28.504 1.179 9.463 1.00 0.00 C ATOM 318 CE1 PHE X 24 29.979 -0.719 8.031 1.00 0.00 C ATOM 319 CE2 PHE X 24 27.888 0.003 9.025 1.00 0.00 C ATOM 320 CZ PHE X 24 28.624 -0.946 8.309 1.00 0.00 C ATOM 0 H PHE X 24 28.251 3.531 7.868 1.00 0.00 H new ATOM 0 HA PHE X 24 30.656 4.728 9.007 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.586 2.550 9.715 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.155 2.942 10.648 1.00 0.00 H new ATOM 0 HD1 PHE X 24 31.638 0.634 8.256 1.00 0.00 H new ATOM 0 HD2 PHE X 24 27.935 1.913 10.014 1.00 0.00 H new ATOM 0 HE1 PHE X 24 30.547 -1.452 7.478 1.00 0.00 H new ATOM 0 HE2 PHE X 24 26.844 -0.172 9.240 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.148 -1.854 7.970 1.00 0.00 H new ATOM 330 N TYR X 25 32.003 3.686 7.071 1.00 0.00 N ATOM 331 CA TYR X 25 32.619 3.410 5.778 1.00 0.00 C ATOM 332 C TYR X 25 34.111 3.146 5.943 1.00 0.00 C ATOM 333 O TYR X 25 34.679 3.398 7.007 1.00 0.00 O ATOM 334 CB TYR X 25 32.418 4.596 4.829 1.00 0.00 C ATOM 335 CG TYR X 25 33.227 5.772 5.317 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.537 5.956 4.858 1.00 0.00 C ATOM 337 CD2 TYR X 25 32.669 6.680 6.226 1.00 0.00 C ATOM 338 CE1 TYR X 25 35.292 7.042 5.309 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.425 7.770 6.676 1.00 0.00 C ATOM 340 CZ TYR X 25 34.735 7.950 6.219 1.00 0.00 C ATOM 341 OH TYR X 25 35.479 9.023 6.663 1.00 0.00 O ATOM 0 H TYR X 25 32.643 4.045 7.779 1.00 0.00 H new ATOM 0 HA TYR X 25 32.142 2.525 5.357 1.00 0.00 H new ATOM 0 HB2 TYR X 25 32.725 4.324 3.819 1.00 0.00 H new ATOM 0 HB3 TYR X 25 31.362 4.862 4.781 1.00 0.00 H new ATOM 0 HD1 TYR X 25 34.965 5.257 4.154 1.00 0.00 H new ATOM 0 HD2 TYR X 25 31.658 6.540 6.579 1.00 0.00 H new ATOM 0 HE1 TYR X 25 36.303 7.181 4.957 1.00 0.00 H new ATOM 0 HE2 TYR X 25 32.996 8.472 7.376 1.00 0.00 H new ATOM 0 HH TYR X 25 34.944 9.555 7.289 1.00 0.00 H new ATOM 613 N ILE X 44 40.449 -1.298 10.249 1.00 0.00 N ATOM 614 CA ILE X 44 39.739 -1.552 11.495 1.00 0.00 C ATOM 615 C ILE X 44 39.127 -2.946 11.479 1.00 0.00 C ATOM 616 O ILE X 44 38.958 -3.572 12.526 1.00 0.00 O ATOM 617 CB ILE X 44 38.640 -0.506 11.691 1.00 0.00 C ATOM 618 CG1 ILE X 44 37.590 -0.628 10.579 1.00 0.00 C ATOM 619 CG2 ILE X 44 39.257 0.890 11.641 1.00 0.00 C ATOM 620 CD1 ILE X 44 36.443 0.346 10.852 1.00 0.00 C ATOM 0 HA ILE X 44 40.447 -1.488 12.321 1.00 0.00 H new ATOM 0 HB ILE X 44 38.162 -0.671 12.657 1.00 0.00 H new ATOM 0 HG12 ILE X 44 38.043 -0.411 9.611 1.00 0.00 H new ATOM 0 HG13 ILE X 44 37.211 -1.649 10.532 1.00 0.00 H new ATOM 0 HG21 ILE X 44 38.476 1.638 11.780 1.00 0.00 H new ATOM 0 HG22 ILE X 44 39.999 0.988 12.433 1.00 0.00 H new ATOM 0 HG23 ILE X 44 39.736 1.042 10.674 1.00 0.00 H new ATOM 0 HD11 ILE X 44 35.697 0.260 10.062 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.985 0.108 11.812 1.00 0.00 H new ATOM 0 HD13 ILE X 44 36.829 1.365 10.877 1.00 0.00 H new ATOM 632 N VAL X 45 38.796 -3.424 10.283 1.00 0.00 N ATOM 633 CA VAL X 45 38.198 -4.744 10.142 1.00 0.00 C ATOM 634 C VAL X 45 39.150 -5.820 10.632 1.00 0.00 C ATOM 635 O VAL X 45 38.769 -6.688 11.410 1.00 0.00 O ATOM 636 CB VAL X 45 37.852 -5.011 8.675 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.450 -6.480 8.506 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.691 -4.103 8.252 1.00 0.00 C ATOM 0 H VAL X 45 38.931 -2.921 9.406 1.00 0.00 H new ATOM 0 HA VAL X 45 37.290 -4.770 10.745 1.00 0.00 H new ATOM 0 HB VAL X 45 38.720 -4.801 8.049 1.00 0.00 H new ATOM 0 HG11 VAL X 45 37.203 -6.672 7.462 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.279 -7.121 8.807 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.582 -6.694 9.129 1.00 0.00 H new ATOM 0 HG21 VAL X 45 36.443 -4.292 7.207 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.821 -4.311 8.875 1.00 0.00 H new ATOM 0 HG23 VAL X 45 36.982 -3.060 8.373 1.00 0.00 H new ATOM 648 N ASP X 46 40.390 -5.755 10.171 1.00 0.00 N ATOM 649 CA ASP X 46 41.383 -6.733 10.574 1.00 0.00 C ATOM 650 C ASP X 46 41.680 -6.627 12.062 1.00 0.00 C ATOM 651 O ASP X 46 41.856 -7.635 12.734 1.00 0.00 O ATOM 652 CB ASP X 46 42.674 -6.532 9.781 1.00 0.00 C ATOM 653 CG ASP X 46 42.463 -6.953 8.331 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.463 -7.598 8.060 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.306 -6.625 7.511 1.00 0.00 O ATOM 0 H ASP X 46 40.728 -5.042 9.524 1.00 0.00 H new ATOM 0 HA ASP X 46 40.980 -7.725 10.368 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.979 -5.486 9.825 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.479 -7.117 10.225 1.00 0.00 H new ATOM 660 N GLU X 47 41.756 -5.400 12.571 1.00 0.00 N ATOM 661 CA GLU X 47 42.062 -5.210 13.982 1.00 0.00 C ATOM 662 C GLU X 47 40.995 -5.850 14.868 1.00 0.00 C ATOM 663 O GLU X 47 41.314 -6.614 15.776 1.00 0.00 O ATOM 664 CB GLU X 47 42.137 -3.709 14.279 1.00 0.00 C ATOM 665 CG GLU X 47 42.481 -3.479 15.751 1.00 0.00 C ATOM 666 CD GLU X 47 43.871 -4.033 16.050 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.621 -4.234 15.110 1.00 0.00 O ATOM 668 OE2 GLU X 47 44.163 -4.245 17.215 1.00 0.00 O ATOM 0 H GLU X 47 41.613 -4.541 12.040 1.00 0.00 H new ATOM 0 HA GLU X 47 43.017 -5.688 14.199 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.891 -3.242 13.645 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.184 -3.236 14.042 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.447 -2.414 15.980 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.741 -3.965 16.387 1.00 0.00 H new ATOM 675 N CYS X 48 39.732 -5.536 14.600 1.00 0.00 N ATOM 676 CA CYS X 48 38.637 -6.089 15.390 1.00 0.00 C ATOM 677 C CYS X 48 38.448 -7.576 15.112 1.00 0.00 C ATOM 678 O CYS X 48 38.187 -8.360 16.025 1.00 0.00 O ATOM 679 CB CYS X 48 37.335 -5.353 15.068 1.00 0.00 C ATOM 680 SG CYS X 48 37.450 -3.647 15.663 1.00 0.00 S ATOM 0 H CYS X 48 39.443 -4.908 13.850 1.00 0.00 H new ATOM 0 HA CYS X 48 38.890 -5.959 16.442 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.154 -5.364 13.993 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.492 -5.859 15.539 1.00 0.00 H new ATOM 685 N CYS X 49 38.565 -7.952 13.842 1.00 0.00 N ATOM 686 CA CYS X 49 38.387 -9.341 13.443 1.00 0.00 C ATOM 687 C CYS X 49 39.432 -10.237 14.099 1.00 0.00 C ATOM 688 O CYS X 49 39.107 -11.288 14.647 1.00 0.00 O ATOM 689 CB CYS X 49 38.481 -9.462 11.921 1.00 0.00 C ATOM 690 SG CYS X 49 38.178 -11.177 11.427 1.00 0.00 S ATOM 0 H CYS X 49 38.782 -7.315 13.075 1.00 0.00 H new ATOM 0 HA CYS X 49 37.401 -9.667 13.773 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.753 -8.803 11.448 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.467 -9.144 11.581 1.00 0.00 H new ATOM 695 N PHE X 50 40.690 -9.814 14.036 1.00 0.00 N ATOM 696 CA PHE X 50 41.773 -10.590 14.625 1.00 0.00 C ATOM 697 C PHE X 50 41.933 -10.243 16.100 1.00 0.00 C ATOM 698 O PHE X 50 41.666 -11.066 16.975 1.00 0.00 O ATOM 699 CB PHE X 50 43.071 -10.294 13.872 1.00 0.00 C ATOM 700 CG PHE X 50 43.041 -10.992 12.533 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.344 -10.409 11.467 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.712 -12.206 12.349 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.315 -11.038 10.219 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.683 -12.839 11.099 1.00 0.00 C ATOM 705 CZ PHE X 50 42.985 -12.255 10.034 1.00 0.00 C ATOM 0 H PHE X 50 40.982 -8.946 13.587 1.00 0.00 H new ATOM 0 HA PHE X 50 41.539 -11.652 14.546 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.187 -9.219 13.732 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.928 -10.634 14.453 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.828 -9.471 11.610 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.252 -12.655 13.170 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.777 -10.587 9.398 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.199 -13.777 10.957 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.963 -12.743 9.071 1.00 0.00 H new ATOM 715 N ARG X 51 42.367 -9.012 16.364 1.00 0.00 N ATOM 716 CA ARG X 51 42.558 -8.551 17.736 1.00 0.00 C ATOM 717 C ARG X 51 41.233 -8.121 18.354 1.00 0.00 C ATOM 718 O ARG X 51 40.250 -7.902 17.648 1.00 0.00 O ATOM 719 CB ARG X 51 43.537 -7.375 17.761 1.00 0.00 C ATOM 720 CG ARG X 51 44.934 -7.870 17.385 1.00 0.00 C ATOM 721 CD ARG X 51 45.878 -6.674 17.239 1.00 0.00 C ATOM 722 NE ARG X 51 45.996 -5.963 18.511 1.00 0.00 N ATOM 723 CZ ARG X 51 46.589 -4.770 18.594 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.088 -4.194 17.531 1.00 0.00 N ATOM 725 NH2 ARG X 51 46.672 -4.170 19.750 1.00 0.00 N ATOM 0 H ARG X 51 42.592 -8.320 15.649 1.00 0.00 H new ATOM 0 HA ARG X 51 42.964 -9.378 18.319 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.213 -6.603 17.064 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.554 -6.922 18.752 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.308 -8.551 18.150 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.893 -8.431 16.451 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.860 -7.015 16.913 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.504 -5.998 16.470 1.00 0.00 H new ATOM 0 HE ARG X 51 45.616 -6.389 19.356 1.00 0.00 H new ATOM 0 HH11 ARG X 51 47.027 -4.657 16.624 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.538 -3.282 17.609 1.00 0.00 H new ATOM 0 HH21 ARG X 51 46.285 -4.613 20.583 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.124 -3.258 19.820 1.00 0.00 H new ATOM 739 N SER X 52 41.211 -8.006 19.675 1.00 0.00 N ATOM 740 CA SER X 52 39.997 -7.603 20.370 1.00 0.00 C ATOM 741 C SER X 52 39.963 -6.088 20.552 1.00 0.00 C ATOM 742 O SER X 52 40.393 -5.567 21.581 1.00 0.00 O ATOM 743 CB SER X 52 39.929 -8.285 21.735 1.00 0.00 C ATOM 744 OG SER X 52 39.788 -9.687 21.553 1.00 0.00 O ATOM 0 H SER X 52 42.012 -8.184 20.281 1.00 0.00 H new ATOM 0 HA SER X 52 39.138 -7.904 19.770 1.00 0.00 H new ATOM 0 HB2 SER X 52 40.832 -8.070 22.307 1.00 0.00 H new ATOM 0 HB3 SER X 52 39.088 -7.895 22.308 1.00 0.00 H new ATOM 0 HG SER X 52 39.746 -10.128 22.427 1.00 0.00 H new ATOM 750 N CYS X 53 39.447 -5.387 19.544 1.00 0.00 N ATOM 751 CA CYS X 53 39.362 -3.931 19.607 1.00 0.00 C ATOM 752 C CYS X 53 38.265 -3.501 20.574 1.00 0.00 C ATOM 753 O CYS X 53 37.358 -4.272 20.884 1.00 0.00 O ATOM 754 CB CYS X 53 39.083 -3.360 18.211 1.00 0.00 C ATOM 755 SG CYS X 53 37.416 -3.826 17.678 1.00 0.00 S ATOM 0 H CYS X 53 39.086 -5.799 18.684 1.00 0.00 H new ATOM 0 HA CYS X 53 40.315 -3.543 19.967 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.179 -2.274 18.226 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.820 -3.735 17.501 1.00 0.00 H new ATOM 760 N ASP X 54 38.355 -2.263 21.052 1.00 0.00 N ATOM 761 CA ASP X 54 37.366 -1.740 21.989 1.00 0.00 C ATOM 762 C ASP X 54 36.255 -1.004 21.249 1.00 0.00 C ATOM 763 O ASP X 54 36.477 -0.408 20.198 1.00 0.00 O ATOM 764 CB ASP X 54 38.034 -0.792 22.989 1.00 0.00 C ATOM 765 CG ASP X 54 39.154 -1.515 23.728 1.00 0.00 C ATOM 766 OD1 ASP X 54 40.279 -1.462 23.259 1.00 0.00 O ATOM 767 OD2 ASP X 54 38.871 -2.109 24.756 1.00 0.00 O ATOM 0 H ASP X 54 39.097 -1.607 20.808 1.00 0.00 H new ATOM 0 HA ASP X 54 36.930 -2.582 22.526 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.434 0.077 22.467 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.296 -0.424 23.702 1.00 0.00 H new ATOM 772 N LEU X 55 35.055 -1.052 21.806 1.00 0.00 N ATOM 773 CA LEU X 55 33.915 -0.382 21.195 1.00 0.00 C ATOM 774 C LEU X 55 34.081 1.133 21.275 1.00 0.00 C ATOM 775 O LEU X 55 33.604 1.865 20.408 1.00 0.00 O ATOM 776 CB LEU X 55 32.622 -0.801 21.898 1.00 0.00 C ATOM 777 CG LEU X 55 32.340 -2.279 21.613 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.186 -2.753 22.497 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.958 -2.460 20.138 1.00 0.00 C ATOM 0 H LEU X 55 34.845 -1.544 22.674 1.00 0.00 H new ATOM 0 HA LEU X 55 33.863 -0.674 20.146 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.710 -0.637 22.972 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.791 -0.188 21.549 1.00 0.00 H new ATOM 0 HG LEU X 55 33.234 -2.865 21.828 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.983 -3.805 22.297 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.456 -2.629 23.546 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.295 -2.163 22.280 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.758 -3.513 19.940 1.00 0.00 H new ATOM 0 HD22 LEU X 55 31.065 -1.874 19.919 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.779 -2.121 19.505 1.00 0.00 H new ATOM 791 N ARG X 56 34.746 1.600 22.329 1.00 0.00 N ATOM 792 CA ARG X 56 34.950 3.031 22.515 1.00 0.00 C ATOM 793 C ARG X 56 35.687 3.625 21.321 1.00 0.00 C ATOM 794 O ARG X 56 35.268 4.638 20.761 1.00 0.00 O ATOM 795 CB ARG X 56 35.767 3.269 23.790 1.00 0.00 C ATOM 796 CG ARG X 56 36.026 4.767 23.986 1.00 0.00 C ATOM 797 CD ARG X 56 34.693 5.496 24.175 1.00 0.00 C ATOM 798 NE ARG X 56 34.916 6.894 24.524 1.00 0.00 N ATOM 799 CZ ARG X 56 33.901 7.747 24.672 1.00 0.00 C ATOM 800 NH1 ARG X 56 32.664 7.350 24.507 1.00 0.00 N ATOM 801 NH2 ARG X 56 34.142 8.987 24.991 1.00 0.00 N ATOM 0 H ARG X 56 35.149 1.013 23.060 1.00 0.00 H new ATOM 0 HA ARG X 56 33.978 3.515 22.603 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.232 2.870 24.652 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.715 2.735 23.727 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.666 4.926 24.854 1.00 0.00 H new ATOM 0 HG3 ARG X 56 36.554 5.171 23.123 1.00 0.00 H new ATOM 0 HD2 ARG X 56 34.106 5.434 23.259 1.00 0.00 H new ATOM 0 HD3 ARG X 56 34.114 5.008 24.959 1.00 0.00 H new ATOM 0 HE ARG X 56 35.871 7.228 24.658 1.00 0.00 H new ATOM 0 HH11 ARG X 56 32.468 6.379 24.263 1.00 0.00 H new ATOM 0 HH12 ARG X 56 31.896 8.012 24.623 1.00 0.00 H new ATOM 0 HH21 ARG X 56 35.103 9.301 25.126 1.00 0.00 H new ATOM 0 HH22 ARG X 56 33.370 9.643 25.105 1.00 0.00 H new ATOM 815 N ARG X 57 36.780 2.986 20.927 1.00 0.00 N ATOM 816 CA ARG X 57 37.555 3.458 19.788 1.00 0.00 C ATOM 817 C ARG X 57 36.836 3.151 18.481 1.00 0.00 C ATOM 818 O ARG X 57 37.028 3.834 17.477 1.00 0.00 O ATOM 819 CB ARG X 57 38.933 2.802 19.786 1.00 0.00 C ATOM 820 CG ARG X 57 38.775 1.286 19.672 1.00 0.00 C ATOM 821 CD ARG X 57 40.151 0.635 19.549 1.00 0.00 C ATOM 822 NE ARG X 57 40.804 1.060 18.314 1.00 0.00 N ATOM 823 CZ ARG X 57 42.062 0.722 18.035 1.00 0.00 C ATOM 824 NH1 ARG X 57 42.759 -0.010 18.866 1.00 0.00 N ATOM 825 NH2 ARG X 57 42.606 1.128 16.922 1.00 0.00 N ATOM 0 H ARG X 57 37.148 2.147 21.375 1.00 0.00 H new ATOM 0 HA ARG X 57 37.670 4.538 19.875 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.526 3.180 18.954 1.00 0.00 H new ATOM 0 HB3 ARG X 57 39.469 3.055 20.701 1.00 0.00 H new ATOM 0 HG2 ARG X 57 38.255 0.898 20.548 1.00 0.00 H new ATOM 0 HG3 ARG X 57 38.165 1.038 18.803 1.00 0.00 H new ATOM 0 HD2 ARG X 57 40.767 0.906 20.406 1.00 0.00 H new ATOM 0 HD3 ARG X 57 40.050 -0.450 19.560 1.00 0.00 H new ATOM 0 HE ARG X 57 40.283 1.630 17.648 1.00 0.00 H new ATOM 0 HH11 ARG X 57 42.340 -0.329 19.740 1.00 0.00 H new ATOM 0 HH12 ARG X 57 43.721 -0.262 18.640 1.00 0.00 H new ATOM 0 HH21 ARG X 57 42.069 1.701 16.271 1.00 0.00 H new ATOM 0 HH22 ARG X 57 43.569 0.873 16.702 1.00 0.00 H new ATOM 839 N LEU X 58 36.011 2.114 18.497 1.00 0.00 N ATOM 840 CA LEU X 58 35.272 1.716 17.308 1.00 0.00 C ATOM 841 C LEU X 58 34.357 2.849 16.854 1.00 0.00 C ATOM 842 O LEU X 58 34.171 3.070 15.658 1.00 0.00 O ATOM 843 CB LEU X 58 34.440 0.466 17.598 1.00 0.00 C ATOM 844 CG LEU X 58 33.894 -0.106 16.286 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.992 -0.902 15.569 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.708 -1.026 16.581 1.00 0.00 C ATOM 0 H LEU X 58 35.837 1.534 19.318 1.00 0.00 H new ATOM 0 HA LEU X 58 35.985 1.493 16.514 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.052 -0.280 18.105 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.617 0.713 18.269 1.00 0.00 H new ATOM 0 HG LEU X 58 33.568 0.714 15.647 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.598 -1.307 14.637 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.835 -0.246 15.352 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.324 -1.720 16.208 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.321 -1.432 15.646 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.033 -1.843 17.225 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.924 -0.459 17.083 1.00 0.00 H new ATOM 858 N ASP X 59 33.785 3.559 17.820 1.00 0.00 N ATOM 859 CA ASP X 59 32.885 4.665 17.520 1.00 0.00 C ATOM 860 C ASP X 59 33.572 5.705 16.637 1.00 0.00 C ATOM 861 O ASP X 59 32.912 6.437 15.902 1.00 0.00 O ATOM 862 CB ASP X 59 32.413 5.328 18.817 1.00 0.00 C ATOM 863 CG ASP X 59 31.325 6.351 18.509 1.00 0.00 C ATOM 864 OD1 ASP X 59 30.300 5.956 17.977 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.532 7.516 18.808 1.00 0.00 O ATOM 0 H ASP X 59 33.928 3.389 18.815 1.00 0.00 H new ATOM 0 HA ASP X 59 32.026 4.263 16.983 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.031 4.573 19.504 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.252 5.815 19.314 1.00 0.00 H new ATOM 870 N MET X 60 34.897 5.776 16.717 1.00 0.00 N ATOM 871 CA MET X 60 35.641 6.746 15.922 1.00 0.00 C ATOM 872 C MET X 60 35.472 6.464 14.432 1.00 0.00 C ATOM 873 O MET X 60 35.565 7.372 13.604 1.00 0.00 O ATOM 874 CB MET X 60 37.129 6.705 16.279 1.00 0.00 C ATOM 875 CG MET X 60 37.322 7.205 17.712 1.00 0.00 C ATOM 876 SD MET X 60 39.084 7.492 18.025 1.00 0.00 S ATOM 877 CE MET X 60 39.636 5.767 17.964 1.00 0.00 C ATOM 0 H MET X 60 35.471 5.182 17.316 1.00 0.00 H new ATOM 0 HA MET X 60 35.244 7.736 16.146 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.509 5.688 16.183 1.00 0.00 H new ATOM 0 HB3 MET X 60 37.698 7.325 15.586 1.00 0.00 H new ATOM 0 HG2 MET X 60 36.761 8.127 17.865 1.00 0.00 H new ATOM 0 HG3 MET X 60 36.931 6.473 18.419 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.255 5.552 18.835 1.00 0.00 H new ATOM 0 HE2 MET X 60 38.768 5.107 17.964 1.00 0.00 H new ATOM 0 HE3 MET X 60 40.217 5.603 17.057 1.00 0.00 H new ATOM 887 N TYR X 61 35.224 5.202 14.097 1.00 0.00 N ATOM 888 CA TYR X 61 35.046 4.818 12.701 1.00 0.00 C ATOM 889 C TYR X 61 33.655 5.216 12.201 1.00 0.00 C ATOM 890 O TYR X 61 33.343 5.042 11.021 1.00 0.00 O ATOM 891 CB TYR X 61 35.230 3.306 12.536 1.00 0.00 C ATOM 892 CG TYR X 61 36.482 2.865 13.257 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.522 1.636 13.926 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.612 3.690 13.243 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.693 1.233 14.580 1.00 0.00 C ATOM 896 CE2 TYR X 61 38.781 3.288 13.899 1.00 0.00 C ATOM 897 CZ TYR X 61 38.824 2.061 14.567 1.00 0.00 C ATOM 898 OH TYR X 61 39.980 1.662 15.208 1.00 0.00 O ATOM 0 H TYR X 61 35.142 4.435 14.765 1.00 0.00 H new ATOM 0 HA TYR X 61 35.798 5.341 12.111 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.364 2.779 12.935 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.299 3.051 11.478 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.650 0.999 13.938 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.582 4.638 12.726 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.725 0.284 15.095 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.652 3.927 13.889 1.00 0.00 H new ATOM 0 HH TYR X 61 40.757 2.042 14.748 1.00 0.00 H new ATOM 908 N CYS X 62 32.827 5.762 13.091 1.00 0.00 N ATOM 909 CA CYS X 62 31.486 6.186 12.704 1.00 0.00 C ATOM 910 C CYS X 62 31.564 7.401 11.785 1.00 0.00 C ATOM 911 O CYS X 62 32.441 8.252 11.938 1.00 0.00 O ATOM 912 CB CYS X 62 30.668 6.547 13.947 1.00 0.00 C ATOM 913 SG CYS X 62 30.461 5.095 15.016 1.00 0.00 S ATOM 0 H CYS X 62 33.059 5.919 14.072 1.00 0.00 H new ATOM 0 HA CYS X 62 31.002 5.363 12.177 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.167 7.344 14.499 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.691 6.928 13.649 1.00 0.00 H new ATOM 918 N ALA X 63 30.642 7.474 10.832 1.00 0.00 N ATOM 919 CA ALA X 63 30.604 8.578 9.890 1.00 0.00 C ATOM 920 C ALA X 63 30.048 9.833 10.561 1.00 0.00 C ATOM 921 O ALA X 63 29.457 9.765 11.638 1.00 0.00 O ATOM 922 CB ALA X 63 29.740 8.199 8.683 1.00 0.00 C ATOM 0 H ALA X 63 29.910 6.777 10.694 1.00 0.00 H new ATOM 0 HA ALA X 63 31.619 8.788 9.552 1.00 0.00 H new ATOM 0 HB1 ALA X 63 29.714 9.030 7.979 1.00 0.00 H new ATOM 0 HB2 ALA X 63 30.163 7.322 8.194 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.727 7.975 9.017 1.00 0.00 H new